A0A096MQ23_PAPAN Loading...

Acyl-coenzyme A oxidase

AlphaFold DB , UniProt , Accession A0A096MQ23, Species PAPAN (Papio anubis, Olive baboon), Gene ACOX2, Length 681 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
1M27.3Very low44.2Very low248 Ų24894.2 Ų94.2100%1.22258%0.581SS**  0890-63.7-178.5-160.600107.1
2G26.9Very low45.8Very low76 Ų7688.8 Ų88.878%0.78455%0.546SS*.PPolyproline II helixtrans-82.9135.2176.700000109.2
3S28.7Very low46.8Very low82 Ų8289.7 Ų89.757%0.57355%0.551SS**PPolyproline II helixtrans-47.2133.7176.1-170.40000110.7V5S3-V5 PolarHBondContact O-N 2.79Å; S3-V5 VanDerWaalsContact O-N 3.1Å
4P36.8Very low47.9Very low106 Ų10691.6 Ų91.669%0.68854%0.544SS*.PPolyproline II helixtrans-61.9118.817825.9-30.7000108.4H6P4-H6 PolarHBondContact O-N 3.43Å
5V38.3Very low49.1Very low130 Ų13087.6 Ų87.679%0.78852%0.522SS*.  trans-1395.2174.3-173.10000112.8S3 R7S3-V5 PolarHBondContact O-N 2.79Å; S3-V5 VanDerWaalsContact O-N 3.1Å; V5-R7 PolarHBondContact O-N 3.19Å
6H42.5Very low50.2Low152 Ų15296.8 Ų96.870%0.70454%0.544SS*.  trans-55.1129.4169.8-76.8-73.5000108.6P4P4-H6 PolarHBondContact O-N 3.43Å
7R55.3Low52.2Low51 Ų5199.7 Ų99.719%0.19255%0.553CS.*  trans-53.5147.4-178.4-73.1-172.6-175.9158.814.4112V5 S9 D625 D628V5-R7 PolarHBondContact O-N 3.19Å; R7-S9 PolarHBondContact O-N 2.65Å; R7-D625 VanDerWaalsContact CZ-O 3.31Å; R7-D625 PolarHBondContact NH1-O 3.3Å; R7-D625 VanDerWaalsContact NH1-O 3.13Å; R7-D625 IonicContact NH1-OD1 2.74Å; R7-D625 PolarHBondContact NH2-O 3.03Å; R7-D628 IonicContact CZ-OD1 3.64Å; R7-D628 IonicContact NE-OD1 2.93Å; R7-D628 PolarHBondContact NE-OD1 3.35Å; R7-D628 IonicContact NH2-OD1 2.96Å; R7-D628 PolarHBondContact NH2-OD1 3.02Å
8V53.6Low54.2Low86 Ų8697.6 Ų97.652%0.52154%0.539SS..  trans-72.193.7173.2-171.50000107.7
9S58.7Low56.4Low15 Ų1594.9 Ų94.911%0.10552%0.522CS..  trans-58.8157.2149.8175.60000107.3R7 G11 S15 D642R7-S9 PolarHBondContact O-N 2.65Å; S9-G11 PolarHBondContact O-N 3.32Å; S9-S15 WeakPolarHBondContact CB-OG 3.42Å; S9-S15 WeakPolarHBondContact OG-CA 3.35Å; S9-S15 WeakPolarHBondContact OG-CB 3.49Å; S9-S15 PolarHBondContact OG-OG 3.35Å; S9-D642 PolarHBondContact OG-OD2 2.97Å
10L60.3Low58.3Low22 Ų2294.4 Ų94.412%0.11552%0.523CS..  trans-53.2-0.8-173-72.6169.7000116.2D12 D631 E632 W652L10-D12 PolarHBondContact O-N 3.42Å; L10-D631 HydrophobicContact CD1-CB 4.26Å; L10-D631 HydrophobicContact CD2-CB 3.98Å; L10-D631 HydrophobicContact CG-CB 3.64Å; L10-E632 HydrophobicContact CD2-CG 3.9Å; L10-W652 HydrophobicContact CD1-CZ2 3.86Å
11G57.6Low60Low68 Ų6890.9 Ų90.970%0.70150%0.504SS*.  trans69.418.4-179.200000111.7S9 S15S9-G11 PolarHBondContact O-N 3.32Å; G11-S15 PolarHBondContact N-OG 3.22Å; G11-S15 VanDerWaalsContact N-OG 3.15Å
12D63.7Low63.3Low29 Ų2979.1 Ų79.116%0.15545%0.446CS..SBendtrans-77.6172.1178.264.838000110.7L10 W14 S15 R648L10-D12 PolarHBondContact O-N 3.42Å; D12-W14 PolarHBondContact O-N 3.27Å; D12-W14 PolarHBondContact OD1-N 3.38Å; D12-W14 VanDerWaalsContact OD1-N 3.16Å; D12-S15 PolarHBondContact N-OG 3.16Å; D12-S15 VanDerWaalsContact O-CB 3.27Å; D12-S15 WeakPolarHBondContact O-CB 3.43Å; D12-S15 PolarHBondContact O-N 3.4Å; D12-S15 VanDerWaalsContact O-N 3.11Å; D12-S15 PolarHBondContact O-OG 3.23Å; D12-S15 PolarHBondContact OD1-N 2.92Å; D12-S15 PolarHBondContact OD1-OG 3.35Å; D12-S15 VanDerWaalsContact OD1-OG 3.06Å; D12-R648 IonicContact OD1-NH2 3.36Å; D12-R648 PolarHBondContact OD1-NH2 3.18Å; D12-R648 IonicContact OD2-CZ 2.95Å; D12-R648 IonicContact OD2-NE 2.76Å; D12-R648 PolarHBondContact OD2-NE 3.31Å; D12-R648 IonicContact OD2-NH2 2.65Å; D12-R648 PolarHBondContact OD2-NH2 2.93Å
13T58.8Low66.5Low101 Ų10180.5 Ų80.562%0.6243%0.432SS*.THydrogen-bonded Turntrans-55.9-26.2-175.642.80000113.1
14W62.5Low69.6Low117 Ų11779.7 Ų79.744%0.44343%0.426SS..THydrogen-bonded Turntrans-93.9-19-175.7-52.3107.8000112.7D12 R16 Q17 N644 E647D12-W14 PolarHBondContact O-N 3.27Å; D12-W14 PolarHBondContact OD1-N 3.38Å; D12-W14 VanDerWaalsContact OD1-N 3.16Å; W14-R16 PolarHBondContact O-N 3.36Å; W14-Q17 PolarHBondContact O-N 3.37Å; W14-N644 HydrophobicContact CB-CB 4.02Å; W14-N644 PolarHBondContact O-ND2 2.92Å; W14-E647 HydrophobicContact CD2-CB 4.16Å; W14-E647 HydrophobicContact CD2-CG 4.18Å; W14-E647 HydrophobicContact CE3-CG 4.43Å; W14-E647 HydrophobicContact CG-CB 4.27Å; W14-E647 HydrophobicContact CH2-CG 4.37Å; W14-E647 HydrophobicContact CZ2-CB 4.33Å; W14-E647 HydrophobicContact CZ2-CG 4.12Å
15S64.9Low72.4Confident31 Ų3175.8 Ų75.822%0.21740%0.398CS..THydrogen-bonded Turntrans-55.4-12.6174-59.90000115.1S9 G11 D12S9-S15 WeakPolarHBondContact CB-OG 3.42Å; S9-S15 WeakPolarHBondContact OG-CA 3.35Å; S9-S15 WeakPolarHBondContact OG-CB 3.49Å; S9-S15 PolarHBondContact OG-OG 3.35Å; G11-S15 PolarHBondContact N-OG 3.22Å; G11-S15 VanDerWaalsContact N-OG 3.15Å; D12-S15 PolarHBondContact N-OG 3.16Å; D12-S15 VanDerWaalsContact O-CB 3.27Å; D12-S15 WeakPolarHBondContact O-CB 3.43Å; D12-S15 PolarHBondContact O-N 3.4Å; D12-S15 VanDerWaalsContact O-N 3.11Å; D12-S15 PolarHBondContact O-OG 3.23Å; D12-S15 PolarHBondContact OD1-N 2.92Å; D12-S15 PolarHBondContact OD1-OG 3.35Å; D12-S15 VanDerWaalsContact OD1-OG 3.06Å
16R67.3Low75Confident234 Ų23470.7 Ų70.788%0.88337%0.365SS*.THydrogen-bonded Turntrans-81.6-19.8-177.9-63.1-176.7-177.7-177.30.8113.9W14W14-R16 PolarHBondContact O-N 3.36Å
17Q83.8Confident77.2Confident147 Ų14772.7 Ų72.769%0.68737%0.368SS*.SBendtrans-135.1125.2-179.1-173.1175-0.100110.3W14 N644W14-Q17 PolarHBondContact O-N 3.37Å; Q17-N644 PolarHBondContact O-ND2 3.4Å
18M89.5Confident78.4Confident61 Ų6177.7 Ų77.730%0.340%0.395SS..  trans-76.4140175.3-176.3160.138.900110.1M22 E23 R26M18-M22 HydrophobicContact CG-CB 4.23Å; M18-M22 HydrophobicContact CG-CG 4.37Å; M18-M22 HydrophobicContact SD-CG 4.4Å; M18-E23 HydrophobicContact CE-CB 4.08Å; M18-E23 HydrophobicContact CE-CG 4.04Å; M18-E23 HydrophobicContact CG-CB 4.18Å; M18-E23 HydrophobicContact SD-CB 4.38Å; M18-R26 PolarHBondContact SD-NH1 3.43Å
19H94.3Very high80Confident48 Ų4879.1 Ų79.122%0.22240%0.396CS..  trans-63.4133.4176.8-172-79.8000109.8D21 M22 E23 I322 D642H19-D21 VanDerWaalsContact C-N 3.29Å; H19-D21 IonicContact CE1-OD2 2.99Å; H19-D21 WeakPolarHBondContact ND1-CB 3.33Å; H19-D21 PolarHBondContact ND1-N 2.86Å; H19-D21 VanDerWaalsContact ND1-N 3.15Å; H19-D21 PolarHBondContact O-N 3.43Å; H19-M22 HydrophobicContact CB-CB 4.41Å; H19-M22 WeakPolarHBondContact O-CA 3.37Å; H19-M22 WeakPolarHBondContact O-CB 3.48Å; H19-M22 PolarHBondContact O-N 3.37Å; H19-E23 PolarHBondContact O-N 2.97Å; H19-I322 HydrophobicContact CB-CD1 4.02Å; H19-I322 WeakPolarHBondContact ND1-CD1 3.47Å; H19-D642 WeakPolarHBondContact CB-O 3.26Å; H19-D642 PolarHBondContact N-O 3.03Å
20P94.6Very high81.7Confident83 Ų8381.2 Ų81.254%0.53941%0.411SS..Hα-helixtrans-56.5-39.3-175-27.534.6000113.9M22 E23 S24P20-M22 VanDerWaalsContact C-N 3.29Å; P20-M22 PolarHBondContact O-N 3.13Å; P20-E23 PolarHBondContact O-N 2.8Å; P20-S24 WeakPolarHBondContact O-CB 3.39Å; P20-S24 PolarHBondContact O-N 2.78Å
21D95.5Very high83.4Confident22 Ų2280.6 Ų80.612%0.11841%0.407CS..Hα-helixtrans-61-37.7175.4-78.2-31.5000111.8H19 S24 E25 V321 I322 R324 K336H19-D21 VanDerWaalsContact C-N 3.29Å; H19-D21 IonicContact CE1-OD2 2.99Å; H19-D21 WeakPolarHBondContact ND1-CB 3.33Å; H19-D21 PolarHBondContact ND1-N 2.86Å; H19-D21 VanDerWaalsContact ND1-N 3.15Å; H19-D21 PolarHBondContact O-N 3.43Å; D21-S24 PolarHBondContact O-OG 3.44Å; D21-E25 WeakPolarHBondContact O-CG 3.37Å; D21-E25 PolarHBondContact O-N 3.28Å; D21-V321 HydrophobicContact CB-CG1 4.12Å; D21-I322 HydrophobicContact CB-CD1 4.27Å; D21-R324 IonicContact OD1-CZ 3.56Å; D21-R324 IonicContact OD1-NH2 3.44Å; D21-R324 PolarHBondContact OD1-NH2 3.48Å; D21-R324 IonicContact OD2-CZ 2.62Å; D21-R324 IonicContact OD2-NE 3.68Å; D21-R324 PolarHBondContact OD2-NE 3.49Å; D21-R324 IonicContact OD2-NH2 2.78Å; D21-R324 PolarHBondContact OD2-NH2 3.14Å; D21-R324 VanDerWaalsContact OD2-NH2 3.15Å; D21-K336 WeakPolarHBondContact OD1-CE 3.45Å; D21-K336 IonicContact OD1-NZ 2.68Å
22M95.2Very high85.2Confident0 Ų081.5 Ų81.50%040%0.396CS..Hα-helixtrans-73.5-41.5177.6-172.859.46300111.8M18 H19 P20 S24 E25 R26 R318 V321 I322 I621M18-M22 HydrophobicContact CG-CB 4.23Å; M18-M22 HydrophobicContact CG-CG 4.37Å; M18-M22 HydrophobicContact SD-CG 4.4Å; H19-M22 HydrophobicContact CB-CB 4.41Å; H19-M22 WeakPolarHBondContact O-CA 3.37Å; H19-M22 WeakPolarHBondContact O-CB 3.48Å; H19-M22 PolarHBondContact O-N 3.37Å; P20-M22 VanDerWaalsContact C-N 3.29Å; P20-M22 PolarHBondContact O-N 3.13Å; M22-S24 VanDerWaalsContact C-N 3.27Å; M22-S24 PolarHBondContact O-N 3.2Å; M22-E25 PolarHBondContact O-N 2.88Å; M22-R26 VanDerWaalsContact CG-NH1 3.28Å; M22-R26 PolarHBondContact O-N 3.09Å; M22-R318 HydrophobicContact CE-CB 3.89Å; M22-R318 HydrophobicContact CE-CG 3.96Å; M22-V321 HydrophobicContact CE-CB 4.48Å; M22-V321 HydrophobicContact CE-CG1 4.44Å; M22-I322 HydrophobicContact CB-CD1 4.26Å; M22-I322 HydrophobicContact CE-CD1 4.26Å; M22-I322 HydrophobicContact CE-CG1 4.31Å; M22-I621 HydrophobicContact CE-CD1 4.18Å; M22-I621 HydrophobicContact SD-CD1 4.02Å; M22-I621 HydrophobicContact SD-CG1 4.32Å; M22-I621 HydrophobicContact SD-CG2 3.88Å
23E94.1Very high86.8Confident106 Ų10680.9 Ų80.950%0.49539%0.393SS..Hα-helixtrans-58.1-42.5175.2-175.4169.8-131.900111.1M18 H19 P20 E25 R26 Y27M18-E23 HydrophobicContact CE-CB 4.08Å; M18-E23 HydrophobicContact CE-CG 4.04Å; M18-E23 HydrophobicContact CG-CB 4.18Å; M18-E23 HydrophobicContact SD-CB 4.38Å; H19-E23 PolarHBondContact O-N 2.97Å; P20-E23 PolarHBondContact O-N 2.8Å; E23-E25 VanDerWaalsContact C-N 3.33Å; E23-E25 PolarHBondContact O-N 3.5Å; E23-R26 PolarHBondContact O-N 2.88Å; E23-R26 VanDerWaalsContact O-N 3.1Å; E23-Y27 PolarHBondContact O-N 2.58Å
24S94.5Very high88.6Confident64 Ų6479.3 Ų79.345%0.44838%0.379SS..Hα-helixtrans-60.2-38.7178.474.10000113.5P20 D21 M22 R26 K336P20-S24 WeakPolarHBondContact O-CB 3.39Å; P20-S24 PolarHBondContact O-N 2.78Å; D21-S24 PolarHBondContact O-OG 3.44Å; M22-S24 VanDerWaalsContact C-N 3.27Å; M22-S24 PolarHBondContact O-N 3.2Å; S24-R26 VanDerWaalsContact C-N 3.27Å; S24-R26 PolarHBondContact O-N 2.88Å; S24-K336 PolarHBondContact OG-NZ 3.48Å
25E95.1Very high90.3Very high24 Ų2478.4 Ų78.411%0.11238%0.375CS..Hα-helixtrans-74.2-19.3179.2-57.3-68.616700112.5D21 M22 E23 V321 K336 R617 I621D21-E25 WeakPolarHBondContact O-CG 3.37Å; D21-E25 PolarHBondContact O-N 3.28Å; M22-E25 PolarHBondContact O-N 2.88Å; E23-E25 VanDerWaalsContact C-N 3.33Å; E23-E25 PolarHBondContact O-N 3.5Å; E25-V321 HydrophobicContact CG-CB 4.44Å; E25-V321 HydrophobicContact CG-CG1 3.58Å; E25-V321 HydrophobicContact CG-CG2 3.96Å; E25-K336 IonicContact OE1-NZ 3.3Å; E25-K336 PolarHBondContact OE1-NZ 2.89Å; E25-R617 IonicContact OE1-CZ 3.43Å; E25-R617 IonicContact OE1-NH1 2.7Å; E25-R617 PolarHBondContact OE1-NH1 2.68Å; E25-R617 IonicContact OE1-NH2 3.29Å; E25-R617 PolarHBondContact OE1-NH2 3.29Å; E25-R617 IonicContact OE2-CZ 3.62Å; E25-R617 IonicContact OE2-NH1 2.73Å; E25-R617 PolarHBondContact OE2-NH1 2.83Å; E25-R617 IonicContact OE2-NH2 3.61Å; E25-I621 HydrophobicContact CB-CB 3.97Å; E25-I621 HydrophobicContact CB-CG1 3.76Å; E25-I621 HydrophobicContact CB-CG2 4.32Å; E25-I621 HydrophobicContact CG-CG1 4.1Å
26R94Very high91.9Very high23 Ų2376.9 Ų76.99%0.08737%0.365CS..Hα-helixtrans-96-15.4178.8-71.2177.5173.6143.66.1113.7M18 M22 E23 S24 I621 D625 Y641M18-R26 PolarHBondContact SD-NH1 3.43Å; M22-R26 VanDerWaalsContact CG-NH1 3.28Å; M22-R26 PolarHBondContact O-N 3.09Å; E23-R26 PolarHBondContact O-N 2.88Å; E23-R26 VanDerWaalsContact O-N 3.1Å; S24-R26 VanDerWaalsContact C-N 3.27Å; S24-R26 PolarHBondContact O-N 2.88Å; R26-I621 HydrophobicContact CG-CG2 3.89Å; R26-D625 IonicContact CZ-OD2 3.58Å; R26-D625 IonicContact NE-OD2 3.35Å; R26-D625 PolarHBondContact NE-OD2 3.11Å; R26-D625 IonicContact NH2-OD1 3.59Å; R26-D625 PolarHBondContact NH2-OD1 3.44Å; R26-D625 IonicContact NH2-OD2 2.83Å; R26-D625 PolarHBondContact NH2-OD2 2.86Å; R26-D625 VanDerWaalsContact NH2-OD2 3.17Å; R26-Y641 VanDerWaalsContact CZ-CE2 3.44Å; R26-Y641 VanDerWaalsContact CZ-CZ 3.41Å; R26-Y641 PolarHBondContact NH1-O 2.86Å; R26-Y641 PolarHBondContact NH2-O 2.93Å
27Y88.7Confident93.4Very high195 Ų19565.8 Ų65.877%0.76532%0.323SS*.Hα-helixtrans-65.9-45.7-169.9-177.6-105.3000113.2E23E23-Y27 PolarHBondContact O-N 2.58Å
28M79.7Confident94Very high155 Ų15559.6 Ų59.676%0.76430%0.295SS*.SBendtrans-103.698.4178.5-71.2-167.4-67.100110.9
29Q87.3Confident94.5Very high116 Ų11658.2 Ų58.254%0.54229%0.288SS..  trans-81.9117.5176.3-63.4-173-9.800110.9F31 L622Q29-F31 VanDerWaalsContact C-N 3.32Å; Q29-L622 HydrophobicContact CB-CD1 4.29Å; Q29-L622 HydrophobicContact CG-CD1 4.26Å; Q29-L622 HydrophobicContact CG-CD2 3.99Å
30S93.7Very high94.6Very high60 Ų6056.8 Ų56.842%0.4228%0.282SS..SBendtrans-80.1-15.9173.662.50000113D619S30-D619 WeakPolarHBondContact CB-OD1 3.48Å; S30-D619 VanDerWaalsContact OG-CG 3.24Å; S30-D619 PolarHBondContact OG-OD1 3.09Å
31F96.4Very high94.7Very high9 Ų954.3 Ų54.34%0.03926%0.264CS..SBendtrans-151.2162.3175.265.3-87.3000110.5Q29 V33 L36 A567 I568 V571 D619 L622 L623Q29-F31 VanDerWaalsContact C-N 3.32Å; F31-V33 HydrophobicContact CE2-CG2 4.07Å; F31-V33 HydrophobicContact CZ-CG2 4.47Å; F31-V33 PolarHBondContact O-N 2.95Å; F31-L36 HydrophobicContact CD2-CB 4.34Å; F31-L36 HydrophobicContact CD2-CD2 4.27Å; F31-L36 HydrophobicContact CE2-CB 4.14Å; F31-L36 HydrophobicContact CE2-CD2 3.56Å; F31-L36 HydrophobicContact CZ-CD2 4.14Å; F31-A567 HydrophobicContact CB-CB 4.02Å; F31-I568 HydrophobicContact CB-CG1 4.05Å; F31-I568 HydrophobicContact CD2-CG1 4.19Å; F31-I568 HydrophobicContact CG-CG1 4.48Å; F31-V571 HydrophobicContact CD1-CB 4.03Å; F31-V571 HydrophobicContact CD1-CG1 3.66Å; F31-V571 HydrophobicContact CD1-CG2 4.14Å; F31-V571 HydrophobicContact CD2-CG1 4.44Å; F31-V571 HydrophobicContact CE1-CB 4.27Å; F31-V571 HydrophobicContact CE1-CG1 3.87Å; F31-V571 HydrophobicContact CE1-CG2 3.93Å; F31-V571 HydrophobicContact CG-CG1 3.98Å; F31-V571 HydrophobicContact CZ-CG1 4.34Å; F31-D619 HydrophobicContact CE1-CB 4.18Å; F31-L622 HydrophobicContact CE1-CB 3.86Å; F31-L622 HydrophobicContact CE1-CD1 4.29Å; F31-L622 HydrophobicContact CE2-CB 4.49Å; F31-L622 HydrophobicContact CZ-CB 3.61Å; F31-L623 HydrophobicContact CE1-CD2 4.29Å; F31-L623 HydrophobicContact CE1-CG 4.31Å; F31-L623 HydrophobicContact CZ-CD2 3.91Å; F31-L623 HydrophobicContact CZ-CG 4.07Å
32D96.6Very high94.7Very high87 Ų8756 Ų5647%0.46529%0.287SS..  trans-76.8108.7176.9-178.7-14.1000111.2E34 R35 L36D32-E34 VanDerWaalsContact C-N 3.34Å; D32-E34 PolarHBondContact O-N 2.79Å; D32-E34 WeakPolarHBondContact OD1-CA 3.45Å; D32-E34 WeakPolarHBondContact OD1-CB 3.37Å; D32-E34 PolarHBondContact OD1-N 2.83Å; D32-R35 HydrophobicContact CB-CB 3.79Å; D32-R35 PolarHBondContact O-N 3.47Å; D32-R35 PolarHBondContact OD1-N 2.9Å; D32-L36 PolarHBondContact O-N 3.32Å
33V96.9Very high94.8Very high16 Ų1657.2 Ų57.210%0.09730%0.3CS..Hα-helixtrans-64.1-36.7179.4178.30000112.1F31 L36 T37 L622 D625 A626F31-V33 HydrophobicContact CE2-CG2 4.07Å; F31-V33 HydrophobicContact CZ-CG2 4.47Å; F31-V33 PolarHBondContact O-N 2.95Å; V33-L36 PolarHBondContact O-N 3.09Å; V33-T37 WeakPolarHBondContact O-CB 3.34Å; V33-T37 PolarHBondContact O-N 3.27Å; V33-T37 PolarHBondContact O-OG1 2.96Å; V33-L622 HydrophobicContact CG2-CB 3.85Å; V33-L622 HydrophobicContact CG2-CD2 3.95Å; V33-L622 HydrophobicContact CG2-CG 4.39Å; V33-D625 HydrophobicContact CG1-CB 4.19Å; V33-A626 HydrophobicContact CG1-CB 4.1Å
34E96.4Very high95Very high68 Ų6854.7 Ų54.732%0.31830%0.297SS..Hα-helixtrans-68.3-41.4178.2-178.165.5-169.900109.8D32 T37 N38 R51D32-E34 VanDerWaalsContact C-N 3.34Å; D32-E34 PolarHBondContact O-N 2.79Å; D32-E34 WeakPolarHBondContact OD1-CA 3.45Å; D32-E34 WeakPolarHBondContact OD1-CB 3.37Å; D32-E34 PolarHBondContact OD1-N 2.83Å; E34-T37 WeakPolarHBondContact O-CB 3.32Å; E34-T37 PolarHBondContact O-N 2.94Å; E34-N38 PolarHBondContact O-N 2.92Å; E34-N38 PolarHBondContact O-ND2 3.12Å; E34-N38 VanDerWaalsContact O-ND2 3.1Å; E34-R51 VanDerWaalsContact CD-NH1 3.27Å; E34-R51 IonicContact OE1-CZ 3.7Å; E34-R51 IonicContact OE1-NH1 3.7Å; E34-R51 PolarHBondContact OE1-NH1 2.86Å; E34-R51 IonicContact OE1-NH2 3.39Å; E34-R51 IonicContact OE2-CZ 3.74Å; E34-R51 IonicContact OE2-NH1 3.89Å; E34-R51 PolarHBondContact OE2-NH1 3.33Å; E34-R51 IonicContact OE2-NH2 3.46Å; E34-R51 PolarHBondContact OE2-NH2 2.97Å
35R97.7Very high95.1Very high97 Ų9759.8 Ų59.837%0.36631%0.314SS..Hα-helixtrans-62.9-42.8174.9-176.759.2178.5157.21.5112.1D32 N38 I39 E565 I568D32-R35 HydrophobicContact CB-CB 3.79Å; D32-R35 PolarHBondContact O-N 3.47Å; D32-R35 PolarHBondContact OD1-N 2.9Å; R35-N38 WeakPolarHBondContact O-CB 3.36Å; R35-N38 PolarHBondContact O-N 3.44Å; R35-I39 HydrophobicContact CG-CD1 4.43Å; R35-I39 WeakPolarHBondContact O-CG1 3.29Å; R35-I39 PolarHBondContact O-N 3.2Å; R35-E565 WeakPolarHBondContact CG-OE2 3.18Å; R35-E565 IonicContact CZ-OE1 3.12Å; R35-E565 IonicContact NE-OE1 2.76Å; R35-E565 PolarHBondContact NE-OE1 3.02Å; R35-E565 IonicContact NE-OE2 3.53Å; R35-E565 IonicContact NH2-OE1 2.66Å; R35-E565 PolarHBondContact NH2-OE1 3.31Å; R35-I568 HydrophobicContact CB-CD1 3.79Å; R35-I568 HydrophobicContact CG-CD1 3.5Å
36L98.3Very high95.2Very high0 Ų059.6 Ų59.60%031%0.314CS..Hα-helixtrans-63.5-41.3174.1-179.354.7000111.8F31 D32 V33 N38 I39 L40 Y355 I568 L572 L623 A626F31-L36 HydrophobicContact CD2-CB 4.34Å; F31-L36 HydrophobicContact CD2-CD2 4.27Å; F31-L36 HydrophobicContact CE2-CB 4.14Å; F31-L36 HydrophobicContact CE2-CD2 3.56Å; F31-L36 HydrophobicContact CZ-CD2 4.14Å; D32-L36 PolarHBondContact O-N 3.32Å; V33-L36 PolarHBondContact O-N 3.09Å; L36-N38 VanDerWaalsContact C-N 3.28Å; L36-N38 PolarHBondContact O-N 3.37Å; L36-I39 WeakPolarHBondContact O-CB 3.33Å; L36-I39 PolarHBondContact O-N 3.01Å; L36-I39 VanDerWaalsContact O-N 3.09Å; L36-L40 HydrophobicContact CD1-CG 4.25Å; L36-L40 HydrophobicContact CG-CD1 4.33Å; L36-L40 WeakPolarHBondContact O-CG 3.26Å; L36-L40 PolarHBondContact O-N 3.28Å; L36-Y355 HydrophobicContact CD1-CE1 4.33Å; L36-Y355 HydrophobicContact CD2-CE1 4.12Å; L36-I568 HydrophobicContact CB-CD1 4.22Å; L36-I568 HydrophobicContact CD1-CG2 3.85Å; L36-L572 HydrophobicContact CD1-CD1 3.99Å; L36-L572 HydrophobicContact CD1-CD2 4.32Å; L36-L572 HydrophobicContact CD1-CG 4.47Å; L36-L572 HydrophobicContact CD2-CD2 4.44Å; L36-L623 HydrophobicContact CD2-CD2 4.12Å; L36-A626 HydrophobicContact CB-CB 4.04Å; L36-A626 HydrophobicContact CD2-CB 3.63Å; L36-A626 HydrophobicContact CG-CB 3.71Å
37T98.4Very high95.4Very high1 Ų158.6 Ų58.61%0.00631%0.31CS..Hα-helixtrans-56-45.6173.7-55.50000110.8V33 E34 I39 L40 D41 T47 A626 D628V33-T37 WeakPolarHBondContact O-CB 3.34Å; V33-T37 PolarHBondContact O-N 3.27Å; V33-T37 PolarHBondContact O-OG1 2.96Å; E34-T37 WeakPolarHBondContact O-CB 3.32Å; E34-T37 PolarHBondContact O-N 2.94Å; T37-I39 VanDerWaalsContact C-N 3.31Å; T37-I39 PolarHBondContact O-N 3.45Å; T37-L40 PolarHBondContact O-N 3.42Å; T37-D41 PolarHBondContact O-N 2.87Å; T37-T47 HydrophobicContact CG2-CG2 3.84Å; T37-A626 WeakPolarHBondContact OG1-CA 3.42Å; T37-A626 PolarHBondContact OG1-O 2.82Å; T37-D628 HydrophobicContact CG2-CB 3.64Å
38N98.2Very high95.8Very high17 Ų1752.2 Ų52.29%0.09130%0.297CS..Hα-helixtrans-62.1-36.5176.8-65.7-32.1000112.8E34 R35 L36 G42 G43 A44 T47E34-N38 PolarHBondContact O-N 2.92Å; E34-N38 PolarHBondContact O-ND2 3.12Å; E34-N38 VanDerWaalsContact O-ND2 3.1Å; R35-N38 WeakPolarHBondContact O-CB 3.36Å; R35-N38 PolarHBondContact O-N 3.44Å; L36-N38 VanDerWaalsContact C-N 3.28Å; L36-N38 PolarHBondContact O-N 3.37Å; N38-G42 PolarHBondContact O-N 2.98Å; N38-G43 CarbonylContact O-C 3.59Å; N38-G43 VanDerWaalsContact O-CA 3.3Å; N38-G43 WeakPolarHBondContact O-CA 3.47Å; N38-G43 PolarHBondContact O-N 2.6Å; N38-A44 HydrophobicContact CB-CB 4.32Å; N38-A44 WeakPolarHBondContact OD1-CA 3.38Å; N38-T47 WeakPolarHBondContact CA-OG1 3.5Å; N38-T47 WeakPolarHBondContact OD1-CB 3.34Å; N38-T47 WeakPolarHBondContact OD1-CG2 3.42Å; N38-T47 PolarHBondContact OD1-OG1 3.13Å
39I98Very high96.7Very high31 Ų3147 Ų4716%0.15927%0.272CS..Hα-helixtrans-65.1-46.3174.7-69.4162.8000110.1R35 L36 T37 D41 G42 F359 L562 E565 I568R35-I39 HydrophobicContact CG-CD1 4.43Å; R35-I39 WeakPolarHBondContact O-CG1 3.29Å; R35-I39 PolarHBondContact O-N 3.2Å; L36-I39 WeakPolarHBondContact O-CB 3.33Å; L36-I39 PolarHBondContact O-N 3.01Å; L36-I39 VanDerWaalsContact O-N 3.09Å; T37-I39 VanDerWaalsContact C-N 3.31Å; T37-I39 PolarHBondContact O-N 3.45Å; I39-D41 VanDerWaalsContact C-N 3.35Å; I39-D41 PolarHBondContact O-N 2.64Å; I39-G42 PolarHBondContact O-N 3.44Å; I39-F359 HydrophobicContact CG2-CE1 4.22Å; I39-F359 HydrophobicContact CG2-CZ 4.5Å; I39-L562 HydrophobicContact CD1-CD2 4Å; I39-L562 HydrophobicContact CG2-CD2 4.22Å; I39-E565 HydrophobicContact CD1-CG 4.28Å; I39-I568 HydrophobicContact CD1-CD1 3.91Å; I39-I568 HydrophobicContact CD1-CG2 4.08Å
40L97.5Very high97.1Very high18 Ų1841.4 Ų41.49%0.09425%0.247CC..Hα-helixtrans-66.1-33.5-178.9-63.7174.9000113.2L36 T37 G42 Y355 H358 F359 A626 F627L36-L40 HydrophobicContact CD1-CG 4.25Å; L36-L40 HydrophobicContact CG-CD1 4.33Å; L36-L40 WeakPolarHBondContact O-CG 3.26Å; L36-L40 PolarHBondContact O-N 3.28Å; T37-L40 PolarHBondContact O-N 3.42Å; L40-G42 PolarHBondContact O-N 2.94Å; L40-Y355 HydrophobicContact CD1-CE1 3.93Å; L40-Y355 HydrophobicContact CD2-CD1 4.1Å; L40-Y355 HydrophobicContact CD2-CE1 3.94Å; L40-Y355 HydrophobicContact CG-CE1 4.46Å; L40-H358 VanDerWaalsContact CD2-CD2 3.44Å; L40-H358 WeakPolarHBondContact CD2-CD2 3.28Å; L40-H358 PolarHBondContact O-CE1 3.26Å; L40-H358 PolarHBondContact O-NE2 2.91Å; L40-F359 HydrophobicContact CD2-CZ 4.45Å; L40-A626 HydrophobicContact CD1-CB 4.33Å; L40-F627 HydrophobicContact CD1-CD1 3.94Å; L40-F627 HydrophobicContact CD1-CE1 4.25Å
41D96.7Very high97.3Very high31 Ų3141.9 Ų41.917%0.16624%0.239CC..THydrogen-bonded Turntrans-82.3-0.7174.5-75.4-30000112.9T37 I39 N46 T47 R50T37-D41 PolarHBondContact O-N 2.87Å; I39-D41 VanDerWaalsContact C-N 3.35Å; I39-D41 PolarHBondContact O-N 2.64Å; D41-N46 HydrophobicContact CB-CB 4.15Å; D41-N46 WeakPolarHBondContact O-CB 3.43Å; D41-N46 PolarHBondContact O-ND2 3.26Å; D41-T47 WeakPolarHBondContact OD2-CA 3.31Å; D41-T47 PolarHBondContact OD2-OG1 3.03Å; D41-R50 IonicContact OD1-NE 2.74Å; D41-R50 PolarHBondContact OD1-NE 2.93Å; D41-R50 VanDerWaalsContact OD1-NE 3.14Å; D41-R50 IonicContact OD2-CZ 3.86Å; D41-R50 IonicContact OD2-NE 3.95Å; D41-R50 PolarHBondContact OD2-NE 3.46Å; D41-R50 IonicContact OD2-NH2 2.69Å; D41-R50 PolarHBondContact OD2-NH2 2.81Å
42G95.9Very high97.3Very high58 Ų5848 Ų4860%0.59827%0.266SS*.THydrogen-bonded Turntrans72.725.8-178.100000114.1N38 I39 L40 N46N38-G42 PolarHBondContact O-N 2.98Å; I39-G42 PolarHBondContact O-N 3.44Å; L40-G42 PolarHBondContact O-N 2.94Å; G42-N46 VanDerWaalsContact C-ND2 3.3Å; G42-N46 PolarHBondContact O-ND2 2.69Å
43G96.8Very high97.3Very high26 Ų2644 Ų4427%0.26824%0.244SC..SBendtrans136.2154.1171.900000113.7N38 Q45 N46 T47N38-G43 CarbonylContact O-C 3.59Å; N38-G43 VanDerWaalsContact O-CA 3.3Å; N38-G43 WeakPolarHBondContact O-CA 3.47Å; N38-G43 PolarHBondContact O-N 2.6Å; G43-Q45 PolarHBondContact O-N 3.35Å; G43-N46 WeakPolarHBondContact O-CB 3.25Å; G43-N46 PolarHBondContact O-N 2.67Å; G43-T47 PolarHBondContact O-N 2.73Å; G43-T47 PolarHBondContact O-OG1 2.96Å
44A97.4Very high97.2Very high53 Ų5343.5 Ų43.544%0.43824%0.241SC..Hα-helixtrans-60-30.1-178.400000114.3N38 N46 T47 A48N38-A44 HydrophobicContact CB-CB 4.32Å; N38-A44 WeakPolarHBondContact OD1-CA 3.38Å; A44-N46 VanDerWaalsContact C-N 3.32Å; A44-N46 PolarHBondContact O-N 3.22Å; A44-T47 PolarHBondContact O-N 3.18Å; A44-A48 WeakPolarHBondContact O-CB 3.43Å; A44-A48 PolarHBondContact O-N 3.08Å
45Q97.9Very high97.1Very high171 Ų17144 Ų4480%0.79925%0.252SS*.Hα-helixtrans-64.2-38.5174.6-65.9177.70.400111.7G43 A48 L49G43-Q45 PolarHBondContact O-N 3.35Å; Q45-A48 PolarHBondContact O-N 2.61Å; Q45-L49 WeakPolarHBondContact O-CB 3.09Å; Q45-L49 PolarHBondContact O-N 3.21Å
46N97.3Very high96.9Very high20 Ų2040.9 Ų40.911%0.10724%0.242CC..Hα-helixtrans-71.4-40.3178.9-64.4-29.8000111.2D41 G42 G43 A44 L49 R50 R101 Y105D41-N46 HydrophobicContact CB-CB 4.15Å; D41-N46 WeakPolarHBondContact O-CB 3.43Å; D41-N46 PolarHBondContact O-ND2 3.26Å; G42-N46 VanDerWaalsContact C-ND2 3.3Å; G42-N46 PolarHBondContact O-ND2 2.69Å; G43-N46 WeakPolarHBondContact O-CB 3.25Å; G43-N46 PolarHBondContact O-N 2.67Å; A44-N46 VanDerWaalsContact C-N 3.32Å; A44-N46 PolarHBondContact O-N 3.22Å; N46-L49 PolarHBondContact O-N 3.19Å; N46-R50 WeakPolarHBondContact O-CB 3.43Å; N46-R50 PolarHBondContact O-N 3.15Å; N46-R101 PolarHBondContact ND2-NH1 3.4Å; N46-R101 PolarHBondContact OD1-NH1 3.33Å; N46-Y105 WeakPolarHBondContact CB-OH 3.31Å
47T97.8Very high96.7Very high1 Ų140.9 Ų40.91%0.00624%0.242CC..Hα-helixtrans-57.2-49.8171.9-48.40000111.3T37 N38 D41 G43 A44 L49 R50 R51T37-T47 HydrophobicContact CG2-CG2 3.84Å; N38-T47 WeakPolarHBondContact CA-OG1 3.5Å; N38-T47 WeakPolarHBondContact OD1-CB 3.34Å; N38-T47 WeakPolarHBondContact OD1-CG2 3.42Å; N38-T47 PolarHBondContact OD1-OG1 3.13Å; D41-T47 WeakPolarHBondContact OD2-CA 3.31Å; D41-T47 PolarHBondContact OD2-OG1 3.03Å; G43-T47 PolarHBondContact O-N 2.73Å; G43-T47 PolarHBondContact O-OG1 2.96Å; A44-T47 PolarHBondContact O-N 3.18Å; T47-L49 VanDerWaalsContact C-N 3.33Å; T47-L49 PolarHBondContact O-N 2.9Å; T47-R50 PolarHBondContact O-N 3.47Å; T47-R51 WeakPolarHBondContact O-CG 3.04Å; T47-R51 PolarHBondContact O-N 3.42Å
48A97.6Very high96.3Very high61 Ų6143.3 Ų43.350%0.50425%0.253SS..Hα-helixtrans-61.6-42.2179.100000111.6A44 Q45 K52A44-A48 WeakPolarHBondContact O-CB 3.43Å; A44-A48 PolarHBondContact O-N 3.08Å; Q45-A48 PolarHBondContact O-N 2.61Å; A48-K52 VanDerWaalsContact O-CB 3.32Å; A48-K52 WeakPolarHBondContact O-CB 3.24Å; A48-K52 PolarHBondContact O-N 2.93Å
49L97.4Very high96Very high45 Ų4546.3 Ų46.324%0.23628%0.276CS..Hα-helixtrans-63.8-46.3175.8-178.259.5000111.8Q45 N46 T47 K52 V53 R101 E102 Y105Q45-L49 WeakPolarHBondContact O-CB 3.09Å; Q45-L49 PolarHBondContact O-N 3.21Å; N46-L49 PolarHBondContact O-N 3.19Å; T47-L49 VanDerWaalsContact C-N 3.33Å; T47-L49 PolarHBondContact O-N 2.9Å; L49-K52 WeakPolarHBondContact O-CB 3.31Å; L49-K52 PolarHBondContact O-N 3.04Å; L49-V53 HydrophobicContact CD1-CG2 4.36Å; L49-V53 WeakPolarHBondContact O-CG2 3.32Å; L49-V53 PolarHBondContact O-N 2.86Å; L49-R101 HydrophobicContact CD2-CB 4.29Å; L49-E102 HydrophobicContact CD1-CG 3.92Å; L49-E102 HydrophobicContact CD2-CG 4.31Å; L49-E102 HydrophobicContact CG-CG 4.32Å; L49-Y105 HydrophobicContact CB-CE2 4.15Å; L49-Y105 HydrophobicContact CD2-CE2 4Å; L49-Y105 HydrophobicContact CG-CD2 4.15Å; L49-Y105 HydrophobicContact CG-CE2 3.9Å
50R97.1Very high95.7Very high0 Ų048 Ų480%028%0.28CS..Hα-helixtrans-58.1-51177.8-179.7177.95765.65.8111.2D41 N46 T47 K52 V53 E54 Y105 D628D41-R50 IonicContact OD1-NE 2.74Å; D41-R50 PolarHBondContact OD1-NE 2.93Å; D41-R50 VanDerWaalsContact OD1-NE 3.14Å; D41-R50 IonicContact OD2-CZ 3.86Å; D41-R50 IonicContact OD2-NE 3.95Å; D41-R50 PolarHBondContact OD2-NE 3.46Å; D41-R50 IonicContact OD2-NH2 2.69Å; D41-R50 PolarHBondContact OD2-NH2 2.81Å; N46-R50 WeakPolarHBondContact O-CB 3.43Å; N46-R50 PolarHBondContact O-N 3.15Å; T47-R50 PolarHBondContact O-N 3.47Å; R50-K52 VanDerWaalsContact C-N 3.32Å; R50-K52 PolarHBondContact O-N 2.87Å; R50-V53 PolarHBondContact O-N 3.39Å; R50-E54 HydrophobicContact CG-CG 4.45Å; R50-E54 WeakPolarHBondContact CG-OE1 3.24Å; R50-E54 IonicContact NH1-OE1 3.17Å; R50-E54 PolarHBondContact NH1-OE1 2.79Å; R50-E54 IonicContact NH1-OE2 3.64Å; R50-E54 PolarHBondContact NH1-OE2 3.3Å; R50-E54 VanDerWaalsContact NH1-OE2 3.11Å; R50-E54 WeakPolarHBondContact O-CG 3.47Å; R50-E54 PolarHBondContact O-N 2.93Å; R50-Y105 HydrophobicContact CB-CD1 3.79Å; R50-Y105 HydrophobicContact CB-CD2 3.76Å; R50-Y105 HydrophobicContact CB-CE1 3.89Å; R50-Y105 HydrophobicContact CB-CE2 3.83Å; R50-Y105 HydrophobicContact CB-CG 3.74Å; R50-Y105 HydrophobicContact CG-CD1 3.63Å; R50-Y105 HydrophobicContact CG-CD2 4.32Å; R50-Y105 HydrophobicContact CG-CE1 4.09Å; R50-Y105 HydrophobicContact CG-CG 3.78Å; R50-D628 IonicContact CZ-OD2 2.88Å; R50-D628 PolarHBondContact NH1-O 3.18Å; R50-D628 IonicContact NH1-OD2 2.75Å; R50-D628 PolarHBondContact NH1-OD2 3.15Å; R50-D628 IonicContact NH2-OD2 2.75Å; R50-D628 PolarHBondContact NH2-OD2 3.3Å
51R96.6Very high95.4Very high69 Ų6951.7 Ų51.726%0.2631%0.306SS..Hα-helixtrans-62.5-37.4178.3-71.7177.5175.6161.9-1.9112.5E34 T47 E54 S55 D628E34-R51 VanDerWaalsContact CD-NH1 3.27Å; E34-R51 IonicContact OE1-CZ 3.7Å; E34-R51 IonicContact OE1-NH1 3.7Å; E34-R51 PolarHBondContact OE1-NH1 2.86Å; E34-R51 IonicContact OE1-NH2 3.39Å; E34-R51 IonicContact OE2-CZ 3.74Å; E34-R51 IonicContact OE2-NH1 3.89Å; E34-R51 PolarHBondContact OE2-NH1 3.33Å; E34-R51 IonicContact OE2-NH2 3.46Å; E34-R51 PolarHBondContact OE2-NH2 2.97Å; T47-R51 WeakPolarHBondContact O-CG 3.04Å; T47-R51 PolarHBondContact O-N 3.42Å; R51-E54 PolarHBondContact O-N 2.82Å; R51-S55 WeakPolarHBondContact O-CB 3.39Å; R51-S55 PolarHBondContact O-N 2.83Å; R51-D628 IonicContact CZ-OD1 3.56Å; R51-D628 IonicContact CZ-OD2 3.7Å; R51-D628 IonicContact NE-OD1 3.36Å; R51-D628 IonicContact NE-OD2 3.54Å; R51-D628 PolarHBondContact NE-OD2 2.98Å; R51-D628 IonicContact NH2-OD1 2.79Å; R51-D628 PolarHBondContact NH2-OD1 3.41Å; R51-D628 IonicContact NH2-OD2 2.69Å; R51-D628 PolarHBondContact NH2-OD2 3.39Å
52K96.6Very high95.2Very high139 Ų13952.7 Ų52.760%0.60431%0.309SS*.Hα-helixtrans-61.4-46.5173.3-179.1-178.5178.3-176.50111.2A48 L49 R50 S55 I56A48-K52 VanDerWaalsContact O-CB 3.32Å; A48-K52 WeakPolarHBondContact O-CB 3.24Å; A48-K52 PolarHBondContact O-N 2.93Å; L49-K52 WeakPolarHBondContact O-CB 3.31Å; L49-K52 PolarHBondContact O-N 3.04Å; R50-K52 VanDerWaalsContact C-N 3.32Å; R50-K52 PolarHBondContact O-N 2.87Å; K52-S55 PolarHBondContact O-N 3.41Å; K52-I56 HydrophobicContact CG-CD1 4.15Å; K52-I56 VanDerWaalsContact O-CG1 3.3Å; K52-I56 WeakPolarHBondContact O-CG1 3.15Å; K52-I56 PolarHBondContact O-N 2.99Å
53V96.6Very high95.1Very high2 Ų250.3 Ų50.31%0.01228%0.283CS..Hα-helixtrans-64.6-46.2177.9171.40000111.1L49 R50 S55 I56 I57 W96 E102 Y105 A106L49-V53 HydrophobicContact CD1-CG2 4.36Å; L49-V53 WeakPolarHBondContact O-CG2 3.32Å; L49-V53 PolarHBondContact O-N 2.86Å; R50-V53 PolarHBondContact O-N 3.39Å; V53-S55 VanDerWaalsContact C-N 3.32Å; V53-S55 PolarHBondContact O-N 3.21Å; V53-I56 WeakPolarHBondContact O-CB 2.99Å; V53-I56 PolarHBondContact O-N 2.88Å; V53-I56 VanDerWaalsContact O-N 3.15Å; V53-I57 HydrophobicContact CG1-CG1 4.26Å; V53-I57 WeakPolarHBondContact O-CG1 3.44Å; V53-I57 PolarHBondContact O-N 2.64Å; V53-W96 HydrophobicContact CG1-CH2 3.88Å; V53-W96 HydrophobicContact CG1-CZ2 4.46Å; V53-W96 HydrophobicContact CG1-CZ3 4.41Å; V53-W96 HydrophobicContact CG2-CH2 4.24Å; V53-W96 HydrophobicContact CG2-CZ2 4Å; V53-E102 HydrophobicContact CG2-CB 3.86Å; V53-E102 HydrophobicContact CG2-CG 3.81Å; V53-Y105 HydrophobicContact CG2-CD2 4.49Å; V53-A106 HydrophobicContact CG1-CB 4.04Å
54E94.9Very high94.8Very high5 Ų551.4 Ų51.42%0.02329%0.286CS..Hα-helixtrans-56.9-45.4176-75.7169.3178.100111.5R50 R51 I56 I57 H58 R108 A109R50-E54 HydrophobicContact CG-CG 4.45Å; R50-E54 WeakPolarHBondContact CG-OE1 3.24Å; R50-E54 IonicContact NH1-OE1 3.17Å; R50-E54 PolarHBondContact NH1-OE1 2.79Å; R50-E54 IonicContact NH1-OE2 3.64Å; R50-E54 PolarHBondContact NH1-OE2 3.3Å; R50-E54 VanDerWaalsContact NH1-OE2 3.11Å; R50-E54 WeakPolarHBondContact O-CG 3.47Å; R50-E54 PolarHBondContact O-N 2.93Å; R51-E54 PolarHBondContact O-N 2.82Å; E54-I56 PolarHBondContact O-N 2.8Å; E54-I57 PolarHBondContact O-N 2.83Å; E54-H58 WeakPolarHBondContact O-CB 3.34Å; E54-H58 PolarHBondContact O-N 2.93Å; E54-H58 PolarHBondContact O-ND1 3.41Å; E54-R108 IonicContact OE1-CZ 3.38Å; E54-R108 IonicContact OE1-NH1 2.76Å; E54-R108 PolarHBondContact OE1-NH1 3.21Å; E54-A109 HydrophobicContact CG-CB 3.86Å
55S93.9Very high94.6Very high79 Ų7950.3 Ų50.355%0.55227%0.271SS*.Hα-helixtrans-59.6-44175-179.60000112.5R51 K52 V53 H58 S59R51-S55 WeakPolarHBondContact O-CB 3.39Å; R51-S55 PolarHBondContact O-N 2.83Å; K52-S55 PolarHBondContact O-N 3.41Å; V53-S55 VanDerWaalsContact C-N 3.32Å; V53-S55 PolarHBondContact O-N 3.21Å; S55-H58 PolarHBondContact O-N 2.76Å; S55-S59 PolarHBondContact O-N 2.9Å
56I94.4Very high94.1Very high32 Ų3246.7 Ų46.716%0.16425%0.252CS..Hα-helixtrans-60.1-49.4174.9-69163.3000110.2K52 V53 E54 H58 S59 Y60 I90 L94 W96K52-I56 HydrophobicContact CG-CD1 4.15Å; K52-I56 VanDerWaalsContact O-CG1 3.3Å; K52-I56 WeakPolarHBondContact O-CG1 3.15Å; K52-I56 PolarHBondContact O-N 2.99Å; V53-I56 WeakPolarHBondContact O-CB 2.99Å; V53-I56 PolarHBondContact O-N 2.88Å; V53-I56 VanDerWaalsContact O-N 3.15Å; E54-I56 PolarHBondContact O-N 2.8Å; I56-H58 PolarHBondContact O-N 2.71Å; I56-S59 PolarHBondContact O-N 2.85Å; I56-S59 PolarHBondContact O-OG 2.89Å; I56-Y60 HydrophobicContact CG2-CE2 4.14Å; I56-Y60 WeakPolarHBondContact O-CD2 3.34Å; I56-I90 HydrophobicContact CG2-CG2 4.05Å; I56-L94 HydrophobicContact CD1-CD1 3.91Å; I56-L94 HydrophobicContact CG2-CD1 4.37Å; I56-W96 HydrophobicContact CD1-CZ2 4.07Å; I56-W96 HydrophobicContact CG2-CH2 4.45Å
57I94.4Very high93.7Very high0 Ų049.9 Ų49.90%027%0.269CS..Hα-helixtrans-62.1-43.8179.8-65-60.4000111V53 E54 S59 Y60 F63 I87 A106 A109 L110V53-I57 HydrophobicContact CG1-CG1 4.26Å; V53-I57 WeakPolarHBondContact O-CG1 3.44Å; V53-I57 PolarHBondContact O-N 2.64Å; E54-I57 PolarHBondContact O-N 2.83Å; I57-S59 PolarHBondContact O-N 3.43Å; I57-Y60 PolarHBondContact O-N 3.16Å; I57-F63 HydrophobicContact CB-CD2 4.34Å; I57-F63 HydrophobicContact CD1-CD2 4.08Å; I57-F63 HydrophobicContact CD1-CE2 3.71Å; I57-F63 HydrophobicContact CD1-CZ 4.03Å; I57-F63 HydrophobicContact CG2-CB 3.95Å; I57-F63 HydrophobicContact CG2-CD2 3.81Å; I57-F63 HydrophobicContact CG2-CG 3.85Å; I57-F63 WeakPolarHBondContact O-CD2 3.36Å; I57-I87 HydrophobicContact CD1-CG1 4.47Å; I57-A106 HydrophobicContact CD1-CB 3.93Å; I57-A106 HydrophobicContact CG1-CB 4.03Å; I57-A109 HydrophobicContact CB-CB 4.44Å; I57-A109 HydrophobicContact CG2-CB 4.21Å; I57-L110 HydrophobicContact CG2-CD1 4.5Å; I57-L110 HydrophobicContact CG2-CD2 3.8Å; I57-L110 HydrophobicContact CG2-CG 4.06Å
58H90.4Very high93.5Very high51 Ų5150.3 Ų50.324%0.23627%0.271CS..Hα-helixtrans-70.9-18.7-179.4-59.8157.7000113.5E54 S55 I56 Y60 T630 E632E54-H58 WeakPolarHBondContact O-CB 3.34Å; E54-H58 PolarHBondContact O-N 2.93Å; E54-H58 PolarHBondContact O-ND1 3.41Å; S55-H58 PolarHBondContact O-N 2.76Å; I56-H58 PolarHBondContact O-N 2.71Å; H58-Y60 VanDerWaalsContact C-N 3.26Å; H58-Y60 PolarHBondContact O-N 2.74Å; H58-T630 PolarHBondContact CE1-OG1 2.79Å; H58-E632 IonicContact CE1-OE2 2.85Å; H58-E632 IonicContact ND1-OE2 3.51Å
59S91.1Very high93.4Very high80 Ų8049.1 Ų49.156%0.55925%0.254SS*.THydrogen-bonded Turntrans-71.2-17.5176.6760000114.3S55 I56 I57S55-S59 PolarHBondContact O-N 2.9Å; I56-S59 PolarHBondContact O-N 2.85Å; I56-S59 PolarHBondContact O-OG 2.89Å; I57-S59 PolarHBondContact O-N 3.43Å
60Y92.2Very high93.2Very high66 Ų6649.9 Ų49.926%0.25926%0.256SS..  trans-101.7125.3-179.3-69.3-81.1000111.8I56 I57 H58 E62 F63 I90 R93I56-Y60 HydrophobicContact CG2-CE2 4.14Å; I56-Y60 WeakPolarHBondContact O-CD2 3.34Å; I57-Y60 PolarHBondContact O-N 3.16Å; H58-Y60 VanDerWaalsContact C-N 3.26Å; H58-Y60 PolarHBondContact O-N 2.74Å; Y60-E62 WeakPolarHBondContact CB-OE2 3.46Å; Y60-E62 PolarHBondContact O-N 3.24Å; Y60-F63 HydrophobicContact CD2-CD2 4.36Å; Y60-F63 HydrophobicContact CD2-CE2 4.07Å; Y60-F63 HydrophobicContact CG-CD2 4.36Å; Y60-F63 HydrophobicContact CG-CE2 4.22Å; Y60-F63 PolarHBondContact O-N 3.31Å; Y60-I90 HydrophobicContact CD2-CD1 3.65Å; Y60-I90 HydrophobicContact CE2-CD1 3.57Å; Y60-I90 HydrophobicContact CE2-CG1 4.27Å; Y60-I90 HydrophobicContact CG-CD1 4.41Å; Y60-R93 PolarHBondContact OH-NH1 3.39Å; Y60-R93 PolarHBondContact OH-NH2 3.36Å
61P90.8Very high93.1Very high96 Ų9652.6 Ų52.662%0.62327%0.269SS*.G310 helixtrans-64-24.918026.1-34.3000113.3F63 S64P61-F63 PolarHBondContact O-N 3.34Å; P61-S64 VanDerWaalsContact O-CB 3.23Å; P61-S64 WeakPolarHBondContact O-CB 3.08Å; P61-S64 PolarHBondContact O-N 2.78Å
62E91.8Very high93Very high53 Ų5353.2 Ų53.225%0.24828%0.28CS..G310 helixtrans-62.5-25.6-179.9-63.681.4-174.900112.8Y60 R82 R83Y60-E62 WeakPolarHBondContact CB-OE2 3.46Å; Y60-E62 PolarHBondContact O-N 3.24Å; E62-R82 HydrophobicContact CB-CG 4.48Å; E62-R82 PolarHBondContact O-NH2 3.14Å; E62-R82 VanDerWaalsContact O-NH2 3.09Å; E62-R83 WeakPolarHBondContact O-CG 3.05Å
63F94.3Very high92.8Very high8 Ų849.6 Ų49.64%0.03527%0.266CS..G310 helixtrans-86.4-5.8177.2-67.3-47000114.3I57 Y60 P61 R65 R83 H86 I87 I90 L110I57-F63 HydrophobicContact CB-CD2 4.34Å; I57-F63 HydrophobicContact CD1-CD2 4.08Å; I57-F63 HydrophobicContact CD1-CE2 3.71Å; I57-F63 HydrophobicContact CD1-CZ 4.03Å; I57-F63 HydrophobicContact CG2-CB 3.95Å; I57-F63 HydrophobicContact CG2-CD2 3.81Å; I57-F63 HydrophobicContact CG2-CG 3.85Å; I57-F63 WeakPolarHBondContact O-CD2 3.36Å; Y60-F63 HydrophobicContact CD2-CD2 4.36Å; Y60-F63 HydrophobicContact CD2-CE2 4.07Å; Y60-F63 HydrophobicContact CG-CD2 4.36Å; Y60-F63 HydrophobicContact CG-CE2 4.22Å; Y60-F63 PolarHBondContact O-N 3.31Å; P61-F63 PolarHBondContact O-N 3.34Å; F63-R65 PolarHBondContact O-N 3.06Å; F63-R83 HydrophobicContact CD1-CB 3.91Å; F63-R83 HydrophobicContact CD1-CG 3.7Å; F63-R83 HydrophobicContact CE1-CB 4.04Å; F63-R83 HydrophobicContact CE1-CG 4.29Å; F63-R83 WeakPolarHBondContact CE1-O 3.44Å; F63-H86 HydrophobicContact CE1-CB 3.77Å; F63-H86 HydrophobicContact CE2-CB 4.41Å; F63-H86 HydrophobicContact CZ-CB 3.5Å; F63-H86 VanDerWaalsContact CZ-CB 3.5Å; F63-I87 HydrophobicContact CE1-CD1 4.39Å; F63-I87 HydrophobicContact CE1-CG1 3.64Å; F63-I87 HydrophobicContact CZ-CG1 3.83Å; F63-I90 HydrophobicContact CE2-CD1 3.49Å; F63-I90 VanDerWaalsContact CE2-CD1 3.49Å; F63-I90 HydrophobicContact CZ-CD1 3.83Å; F63-L110 HydrophobicContact CB-CD2 3.9Å; F63-L110 HydrophobicContact CD1-CD1 3.94Å; F63-L110 HydrophobicContact CD1-CD2 4.21Å; F63-L110 HydrophobicContact CE1-CD1 4.39Å; F63-L110 HydrophobicContact CG-CD2 4.3Å
64S91.1Very high92.8Very high48 Ų4853.6 Ų53.634%0.33629%0.287SS..  trans-56.7135.8178.4-177.90000111.6P61P61-S64 VanDerWaalsContact O-CB 3.23Å; P61-S64 WeakPolarHBondContact O-CB 3.08Å; P61-S64 PolarHBondContact O-N 2.78Å
65R92.6Very high92.8Very high31 Ų3158 Ų5812%0.11731%0.307CS..  trans-114.92.9179.3-71.7175.358.5-137.7-2.3112.9F63 D67 N68 L110 S111 D113 E632 C633 N635F63-R65 PolarHBondContact O-N 3.06Å; R65-D67 PolarHBondContact O-N 2.98Å; R65-N68 VanDerWaalsContact CB-ND2 3.28Å; R65-N68 WeakPolarHBondContact CB-ND2 3.27Å; R65-N68 WeakPolarHBondContact CG-ND2 3.46Å; R65-N68 VanDerWaalsContact O-CB 3.22Å; R65-N68 WeakPolarHBondContact O-CB 3.22Å; R65-N68 PolarHBondContact O-N 3.03Å; R65-N68 VanDerWaalsContact O-N 3.08Å; R65-N68 PolarHBondContact O-ND2 3.38Å; R65-L110 WeakPolarHBondContact CD-O 3.49Å; R65-L110 PolarHBondContact NE-O 2.96Å; R65-S111 PolarHBondContact NH1-OG 3.41Å; R65-S111 PolarHBondContact NH2-OG 2.79Å; R65-D113 IonicContact NE-OD2 3.55Å; R65-E632 PolarHBondContact NH1-O 3.06Å; R65-C633 PolarHBondContact NH1-O 2.88Å; R65-N635 PolarHBondContact O-OD1 3.39Å
66K86.8Confident92.9Very high95 Ų9555.5 Ų55.541%0.41329%0.286SS..THydrogen-bonded Turntrans-57-36-171.7-67.3-177.3177.7-177.70112.8
67D89.6Confident93Very high86 Ų8655.3 Ų55.346%0.4628%0.283SS..THydrogen-bonded Turntrans-96.42.3-175.6-51.5-48.1000113.4R65 Y69 F70 M71R65-D67 PolarHBondContact O-N 2.98Å; D67-Y69 PolarHBondContact O-N 3.25Å; D67-Y69 VanDerWaalsContact O-N 3.08Å; D67-F70 PolarHBondContact O-N 3.31Å; D67-M71 HydrophobicContact CB-CE 4.02Å; D67-M71 WeakPolarHBondContact O-CG 3.31Å; D67-M71 PolarHBondContact O-N 3.12Å
68N93.6Very high93.1Very high11 Ų1162.3 Ų62.36%0.05931%0.314CS..G310 helixtrans-54.4-35.5-173.9-81.8-13.8000113.7R65 F70 M71 R76 D113R65-N68 VanDerWaalsContact CB-ND2 3.28Å; R65-N68 WeakPolarHBondContact CB-ND2 3.27Å; R65-N68 WeakPolarHBondContact CG-ND2 3.46Å; R65-N68 VanDerWaalsContact O-CB 3.22Å; R65-N68 WeakPolarHBondContact O-CB 3.22Å; R65-N68 PolarHBondContact O-N 3.03Å; R65-N68 VanDerWaalsContact O-N 3.08Å; R65-N68 PolarHBondContact O-ND2 3.38Å; N68-F70 PolarHBondContact O-N 2.8Å; N68-M71 PolarHBondContact O-N 2.92Å; N68-R76 PolarHBondContact ND2-NH1 2.73Å; N68-R76 PolarHBondContact OD1-NH1 2.89Å; N68-D113 PolarHBondContact ND2-OD2 3.08Å
69Y94.3Very high93.4Very high36 Ų3660.2 Ų60.214%0.14131%0.306CS..G310 helixtrans-72.7-13.5-178.5-60.5-49.2000113.9D67 K419 L420 G422 N635 W652D67-Y69 PolarHBondContact O-N 3.25Å; D67-Y69 VanDerWaalsContact O-N 3.08Å; Y69-K419 HydrophobicContact CD1-CB 3.93Å; Y69-K419 HydrophobicContact CD1-CD 4.42Å; Y69-K419 WeakPolarHBondContact CE1-O 3.21Å; Y69-K419 VanDerWaalsContact CE2-O 3.27Å; Y69-K419 WeakPolarHBondContact CE2-O 3.35Å; Y69-K419 HydrophobicContact CG-CB 4.09Å; Y69-K419 VanDerWaalsContact CZ-O 3.25Å; Y69-L420 HydrophobicContact CD2-CD2 4.11Å; Y69-G422 VanDerWaalsContact OH-CA 3.29Å; Y69-G422 WeakPolarHBondContact OH-CA 3.17Å; Y69-N635 WeakPolarHBondContact CE2-ND2 3.48Å; Y69-N635 WeakPolarHBondContact CE2-O 3.28Å; Y69-N635 PolarHBondContact OH-ND2 2.92Å; Y69-N635 VanDerWaalsContact OH-ND2 3.12Å; Y69-N635 PolarHBondContact OH-O 3.16Å; Y69-W652 HydrophobicContact CE2-CZ3 4.41Å
70F94.3Very high93.6Very high60 Ų6056.4 Ų56.426%0.26328%0.279SS..G310 helixtrans-106.9-2.4-180-51.5-62.9000112.9D67 N68 L420 P657D67-F70 PolarHBondContact O-N 3.31Å; N68-F70 PolarHBondContact O-N 2.8Å; F70-L420 HydrophobicContact CE1-CD2 4.25Å; F70-L420 HydrophobicContact CE2-CD2 4.42Å; F70-L420 HydrophobicContact CZ-CD2 3.71Å; F70-P657 HydrophobicContact CB-CG 4.14Å
71M94.4Very high93.8Very high57 Ų5754.7 Ų54.728%0.28127%0.274SS..  trans-83.6143.5-179.8-71.4179.8-175.700112.1D67 N68 E75 R76 A79D67-M71 HydrophobicContact CB-CE 4.02Å; D67-M71 WeakPolarHBondContact O-CG 3.31Å; D67-M71 PolarHBondContact O-N 3.12Å; N68-M71 PolarHBondContact O-N 2.92Å; M71-E75 HydrophobicContact CB-CB 3.9Å; M71-E75 HydrophobicContact CG-CB 4.08Å; M71-E75 HydrophobicContact SD-CB 4.4Å; M71-R76 HydrophobicContact CB-CG 3.82Å; M71-A79 HydrophobicContact SD-CB 4.33Å
72T93.9Very high94.1Very high82 Ų8255.5 Ų55.550%0.50326%0.264SS..  trans-69164.8163.6650000111.5N74 E75 R76T72-N74 VanDerWaalsContact C-N 3.32Å; T72-N74 PolarHBondContact O-N 2.76Å; T72-E75 WeakPolarHBondContact CB-OE2 3.44Å; T72-E75 WeakPolarHBondContact CG2-OE2 3.47Å; T72-E75 PolarHBondContact N-OE2 2.77Å; T72-E75 PolarHBondContact O-N 2.91Å; T72-E75 VanDerWaalsContact O-N 3.15Å; T72-E75 VanDerWaalsContact OG1-CD 3.28Å; T72-E75 WeakPolarHBondContact OG1-CG 3Å; T72-E75 PolarHBondContact OG1-N 3.26Å; T72-E75 PolarHBondContact OG1-OE2 3.35Å; T72-R76 VanDerWaalsContact O-CG 3.29Å; T72-R76 WeakPolarHBondContact O-CG 3.41Å; T72-R76 PolarHBondContact O-N 2.9Å
73Q94.2Very high94.2Very high63 Ų6353 Ų5329%0.29425%0.252SS..Hα-helixtrans-55.2-43.7177.4-171.9-169.8300112.8E75 R76 Y77 D248Q73-E75 VanDerWaalsContact C-N 3.34Å; Q73-E75 PolarHBondContact O-N 2.85Å; Q73-R76 WeakPolarHBondContact O-CB 3.31Å; Q73-R76 PolarHBondContact O-N 2.77Å; Q73-Y77 PolarHBondContact O-N 2.74Å; Q73-D248 HydrophobicContact CG-CB 4.11Å; Q73-D248 WeakPolarHBondContact CG-O 3.42Å
74N95.3Very high94.2Very high86 Ų8653 Ų5346%0.4625%0.254SS..Hα-helixtrans-67.6-34.5-180-88.8-39.6000112.7T72 K78 R197T72-N74 VanDerWaalsContact C-N 3.32Å; T72-N74 PolarHBondContact O-N 2.76Å; N74-K78 WeakPolarHBondContact O-CG 3.48Å; N74-K78 PolarHBondContact O-N 2.93Å; N74-K78 VanDerWaalsContact O-N 3.09Å; N74-R197 PolarHBondContact OD1-NH1 2.98Å
75E96.2Very high94.3Very high97 Ų9754.6 Ų54.645%0.45326%0.255SS..Hα-helixtrans-68.3-42.2173.5-70.6164.8143.700111M71 T72 Q73 Y77 K78 A79M71-E75 HydrophobicContact CB-CB 3.9Å; M71-E75 HydrophobicContact CG-CB 4.08Å; M71-E75 HydrophobicContact SD-CB 4.4Å; T72-E75 WeakPolarHBondContact CB-OE2 3.44Å; T72-E75 WeakPolarHBondContact CG2-OE2 3.47Å; T72-E75 PolarHBondContact N-OE2 2.77Å; T72-E75 PolarHBondContact O-N 2.91Å; T72-E75 VanDerWaalsContact O-N 3.15Å; T72-E75 VanDerWaalsContact OG1-CD 3.28Å; T72-E75 WeakPolarHBondContact OG1-CG 3Å; T72-E75 PolarHBondContact OG1-N 3.26Å; T72-E75 PolarHBondContact OG1-OE2 3.35Å; Q73-E75 VanDerWaalsContact C-N 3.34Å; Q73-E75 PolarHBondContact O-N 2.85Å; E75-Y77 PolarHBondContact O-N 2.98Å; E75-K78 PolarHBondContact O-N 3.29Å; E75-A79 VanDerWaalsContact O-CB 3.27Å; E75-A79 WeakPolarHBondContact O-CB 3.22Å; E75-A79 PolarHBondContact O-N 3.31Å
76R95.9Very high94.4Very high28 Ų2855.7 Ų55.711%0.10626%0.261CS..Hα-helixtrans-57.6-48.1174.3-67.3-77.6-66.1135.39.5111.7N68 M71 T72 Q73 A79 A80 D113 D248 Q249N68-R76 PolarHBondContact ND2-NH1 2.73Å; N68-R76 PolarHBondContact OD1-NH1 2.89Å; M71-R76 HydrophobicContact CB-CG 3.82Å; T72-R76 VanDerWaalsContact O-CG 3.29Å; T72-R76 WeakPolarHBondContact O-CG 3.41Å; T72-R76 PolarHBondContact O-N 2.9Å; Q73-R76 WeakPolarHBondContact O-CB 3.31Å; Q73-R76 PolarHBondContact O-N 2.77Å; R76-A79 PolarHBondContact O-N 3Å; R76-A80 WeakPolarHBondContact O-CB 3.46Å; R76-A80 PolarHBondContact O-N 3.45Å; R76-D113 IonicContact CZ-OD1 3.58Å; R76-D113 VanDerWaalsContact CZ-OD1 3.23Å; R76-D113 IonicContact CZ-OD2 3.71Å; R76-D113 IonicContact NH1-OD1 2.76Å; R76-D113 PolarHBondContact NH1-OD1 2.74Å; R76-D113 IonicContact NH1-OD2 3.72Å; R76-D113 PolarHBondContact NH1-OD2 3.32Å; R76-D113 IonicContact NH2-OD1 3.33Å; R76-D113 PolarHBondContact NH2-OD1 3.29Å; R76-D113 IonicContact NH2-OD2 2.69Å; R76-D248 HydrophobicContact CB-CB 4.25Å; R76-D248 HydrophobicContact CG-CB 4.33Å; R76-Q249 HydrophobicContact CB-CB 4.4Å
77Y96.3Very high94.7Very high27 Ų2751.9 Ų51.911%0.10625%0.246CC..Hα-helixtrans-59-51.6176.7171.7-101.5000112.2Q73 E75 A79 A80 M81 S198 D251Q73-Y77 PolarHBondContact O-N 2.74Å; E75-Y77 PolarHBondContact O-N 2.98Å; Y77-A79 VanDerWaalsContact C-N 3.34Å; Y77-A79 PolarHBondContact O-N 3.05Å; Y77-A80 PolarHBondContact O-N 3.33Å; Y77-M81 HydrophobicContact CD2-CG 4.46Å; Y77-M81 HydrophobicContact CE1-CG 4.26Å; Y77-M81 HydrophobicContact CE2-CG 3.98Å; Y77-M81 PolarHBondContact O-N 2.84Å; Y77-S198 WeakPolarHBondContact CE2-OG 3.46Å; Y77-S198 PolarHBondContact OH-OG 3.33Å; Y77-D251 HydrophobicContact CD2-CB 4.32Å; Y77-D251 HydrophobicContact CE2-CB 4Å; Y77-D251 WeakPolarHBondContact CE2-OD1 3.5Å
78K96.5Very high94.8Very high147 Ų14750 Ų5064%0.63923%0.232SC*.Hα-helixtrans-60.4-43.1179-75.8-179.7178.4-179.10111.9N74 E75 M81 R82N74-K78 WeakPolarHBondContact O-CG 3.48Å; N74-K78 PolarHBondContact O-N 2.93Å; N74-K78 VanDerWaalsContact O-N 3.09Å; E75-K78 PolarHBondContact O-N 3.29Å; K78-M81 PolarHBondContact O-N 3.43Å; K78-R82 WeakPolarHBondContact O-CB 3.38Å; K78-R82 PolarHBondContact O-N 2.96Å
79A96.3Very high94.7Very high8 Ų854.5 Ų54.57%0.06626%0.255CS..Hα-helixtrans-63.3-42.9178.300000111.6M71 E75 R76 Y77 R82 R83M71-A79 HydrophobicContact SD-CB 4.33Å; E75-A79 VanDerWaalsContact O-CB 3.27Å; E75-A79 WeakPolarHBondContact O-CB 3.22Å; E75-A79 PolarHBondContact O-N 3.31Å; R76-A79 PolarHBondContact O-N 3Å; Y77-A79 VanDerWaalsContact C-N 3.34Å; Y77-A79 PolarHBondContact O-N 3.05Å; A79-R82 WeakPolarHBondContact O-CB 3.31Å; A79-R82 PolarHBondContact O-N 2.85Å; A79-R83 WeakPolarHBondContact O-CG 3.46Å; A79-R83 PolarHBondContact O-N 2.84Å
80A96.3Very high94.7Very high0 Ų053 Ų530%025%0.25CS..Hα-helixtrans-68.7-36.8178.900000113.2R76 Y77 R83 A84 A115 Q249R76-A80 WeakPolarHBondContact O-CB 3.46Å; R76-A80 PolarHBondContact O-N 3.45Å; Y77-A80 PolarHBondContact O-N 3.33Å; A80-R83 PolarHBondContact O-N 2.81Å; A80-A84 WeakPolarHBondContact O-CB 3.32Å; A80-A84 PolarHBondContact O-N 3.2Å; A80-A115 HydrophobicContact CB-CB 4.05Å; A80-A115 PolarHBondContact O-N 2.79Å; A80-Q249 HydrophobicContact CB-CB 3.59Å; A80-Q249 HydrophobicContact CB-CG 4.07Å
81M95.8Very high94.6Very high29 Ų2950.7 Ų50.714%0.14324%0.242CC..Hα-helixtrans-61.8-48170.4-77.5-66.5-9000111.1Y77 K78 R83 A84 F85 A115 L116Y77-M81 HydrophobicContact CD2-CG 4.46Å; Y77-M81 HydrophobicContact CE1-CG 4.26Å; Y77-M81 HydrophobicContact CE2-CG 3.98Å; Y77-M81 PolarHBondContact O-N 2.84Å; K78-M81 PolarHBondContact O-N 3.43Å; M81-R83 VanDerWaalsContact C-N 3.28Å; M81-R83 PolarHBondContact O-N 2.93Å; M81-A84 PolarHBondContact O-N 2.79Å; M81-A84 VanDerWaalsContact O-N 3.15Å; M81-F85 HydrophobicContact CE-CE2 3.8Å; M81-F85 HydrophobicContact CE-CZ 4.26Å; M81-F85 WeakPolarHBondContact O-CD2 3.3Å; M81-F85 PolarHBondContact O-N 2.88Å; M81-F85 HydrophobicContact SD-CE2 4.43Å; M81-A115 HydrophobicContact CB-CB 4.47Å; M81-A115 HydrophobicContact CG-CB 3.81Å; M81-A115 HydrophobicContact SD-CB 3.47Å; M81-A115 WeakPolarHBondContact SD-CB 3.17Å; M81-L116 HydrophobicContact CE-CD2 4.4Å; M81-L116 HydrophobicContact SD-CD1 4.33Å; M81-L116 HydrophobicContact SD-CD2 3.97Å; M81-L116 HydrophobicContact SD-CG 3.95Å
82R95.7Very high94.5Very high113 Ų11354 Ų5443%0.42626%0.257SS..Hα-helixtrans-53.8-47.2175.3-176-178.667.8-176.71.5111.1E62 K78 A79 F85 H86E62-R82 HydrophobicContact CB-CG 4.48Å; E62-R82 PolarHBondContact O-NH2 3.14Å; E62-R82 VanDerWaalsContact O-NH2 3.09Å; K78-R82 WeakPolarHBondContact O-CB 3.38Å; K78-R82 PolarHBondContact O-N 2.96Å; A79-R82 WeakPolarHBondContact O-CB 3.31Å; A79-R82 PolarHBondContact O-N 2.85Å; R82-F85 PolarHBondContact O-N 2.87Å; R82-H86 PolarHBondContact O-N 3.3Å; R82-H86 PolarHBondContact O-ND1 3.48Å
83R95.8Very high94.5Very high0 Ų057.1 Ų57.10%026%0.259CS..Hα-helixtrans-61.8-46.9177.2-69.2-172.2-72.5-94.6-4.5112.1E62 F63 A79 A80 M81 F85 H86 I87 D113 V114E62-R83 WeakPolarHBondContact O-CG 3.05Å; F63-R83 HydrophobicContact CD1-CB 3.91Å; F63-R83 HydrophobicContact CD1-CG 3.7Å; F63-R83 HydrophobicContact CE1-CB 4.04Å; F63-R83 HydrophobicContact CE1-CG 4.29Å; F63-R83 WeakPolarHBondContact CE1-O 3.44Å; A79-R83 WeakPolarHBondContact O-CG 3.46Å; A79-R83 PolarHBondContact O-N 2.84Å; A80-R83 PolarHBondContact O-N 2.81Å; M81-R83 VanDerWaalsContact C-N 3.28Å; M81-R83 PolarHBondContact O-N 2.93Å; R83-F85 VanDerWaalsContact C-N 3.32Å; R83-F85 PolarHBondContact O-N 2.95Å; R83-H86 PolarHBondContact O-N 3.49Å; R83-I87 WeakPolarHBondContact O-CG1 3.3Å; R83-I87 PolarHBondContact O-N 3.16Å; R83-D113 IonicContact CZ-OD2 3.97Å; R83-D113 PolarHBondContact NE-O 2.84Å; R83-D113 IonicContact NE-OD2 3.23Å; R83-D113 IonicContact NH1-OD2 3.75Å; R83-D113 PolarHBondContact NH2-O 2.92Å; R83-D113 VanDerWaalsContact NH2-O 3.11Å; R83-D113 IonicContact NH2-OD1 3.55Å; R83-D113 PolarHBondContact NH2-OD1 3.42Å; R83-D113 VanDerWaalsContact NH2-OD1 3.16Å; R83-D113 IonicContact NH2-OD2 3.81Å; R83-D113 PolarHBondContact NH2-OD2 2.89Å; R83-V114 HydrophobicContact CB-CG1 4.26Å
84A94.2Very high94.5Very high8 Ų857.7 Ų57.77%0.06626%0.264CS..Hα-helixtrans-56.8-44.5179.100000112.3A80 M81 R88 A115A80-A84 WeakPolarHBondContact O-CB 3.32Å; A80-A84 PolarHBondContact O-N 3.2Å; M81-A84 PolarHBondContact O-N 2.79Å; M81-A84 VanDerWaalsContact O-N 3.15Å; A84-R88 PolarHBondContact O-N 3.36Å; A84-A115 HydrophobicContact CB-CB 4.38Å; A84-A115 WeakPolarHBondContact CB-O 3.45Å
85F92.4Very high94.5Very high83 Ų8356.4 Ų56.436%0.36427%0.271SS..Hα-helixtrans-67.3-41176.2-73.1-69.8000113M81 R82 R83 I87 R88 L89 I145M81-F85 HydrophobicContact CE-CE2 3.8Å; M81-F85 HydrophobicContact CE-CZ 4.26Å; M81-F85 WeakPolarHBondContact O-CD2 3.3Å; M81-F85 PolarHBondContact O-N 2.88Å; M81-F85 HydrophobicContact SD-CE2 4.43Å; R82-F85 PolarHBondContact O-N 2.87Å; R83-F85 VanDerWaalsContact C-N 3.32Å; R83-F85 PolarHBondContact O-N 2.95Å; F85-I87 VanDerWaalsContact C-N 3.35Å; F85-I87 PolarHBondContact O-N 2.87Å; F85-R88 WeakPolarHBondContact O-CB 3.26Å; F85-R88 PolarHBondContact O-N 3.45Å; F85-L89 WeakPolarHBondContact O-CG 3.33Å; F85-L89 PolarHBondContact O-N 2.81Å; F85-I145 HydrophobicContact CE1-CG2 4Å
86H94.6Very high94.4Very high53 Ų5353.3 Ų53.325%0.24526%0.255CS..Hα-helixtrans-65.1-37.7178.7-78.270.6000112.3F63 R82 R83 R88 L89 I90F63-H86 HydrophobicContact CE1-CB 3.77Å; F63-H86 HydrophobicContact CE2-CB 4.41Å; F63-H86 HydrophobicContact CZ-CB 3.5Å; F63-H86 VanDerWaalsContact CZ-CB 3.5Å; R82-H86 PolarHBondContact O-N 3.3Å; R82-H86 PolarHBondContact O-ND1 3.48Å; R83-H86 PolarHBondContact O-N 3.49Å; H86-R88 VanDerWaalsContact C-N 3.27Å; H86-R88 PolarHBondContact O-N 3.31Å; H86-L89 PolarHBondContact O-N 3.45Å; H86-I90 WeakPolarHBondContact O-CG1 3.18Å; H86-I90 PolarHBondContact O-N 3.07Å
87I94.2Very high94Very high16 Ų1658.1 Ų58.18%0.08228%0.282CS..Hα-helixtrans-58-43.6173.8-69.7167.5000110.2I57 F63 R83 F85 I90 A91 L103 L110 V114I57-I87 HydrophobicContact CD1-CG1 4.47Å; F63-I87 HydrophobicContact CE1-CD1 4.39Å; F63-I87 HydrophobicContact CE1-CG1 3.64Å; F63-I87 HydrophobicContact CZ-CG1 3.83Å; R83-I87 WeakPolarHBondContact O-CG1 3.3Å; R83-I87 PolarHBondContact O-N 3.16Å; F85-I87 VanDerWaalsContact C-N 3.35Å; F85-I87 PolarHBondContact O-N 2.87Å; I87-I90 PolarHBondContact O-N 3.26Å; I87-A91 WeakPolarHBondContact O-CB 3.34Å; I87-A91 PolarHBondContact O-N 2.93Å; I87-L103 HydrophobicContact CG2-CD2 3.48Å; I87-L103 VanDerWaalsContact CG2-CD2 3.48Å; I87-L110 HydrophobicContact CD1-CD1 3.65Å; I87-L110 HydrophobicContact CG1-CD1 4.4Å; I87-V114 HydrophobicContact CD1-CG1 3.72Å
88R89.8Confident93.1Very high46 Ų4659.8 Ų59.817%0.17429%0.291CS..Hα-helixtrans-64.8-43.5179.2-69.6-179.4-178.8143.9-1.7112.6A84 F85 H86 I90 A91 Q92 I145A84-R88 PolarHBondContact O-N 3.36Å; F85-R88 WeakPolarHBondContact O-CB 3.26Å; F85-R88 PolarHBondContact O-N 3.45Å; H86-R88 VanDerWaalsContact C-N 3.27Å; H86-R88 PolarHBondContact O-N 3.31Å; R88-I90 VanDerWaalsContact C-N 3.27Å; R88-I90 PolarHBondContact O-N 3.18Å; R88-A91 PolarHBondContact O-N 2.92Å; R88-Q92 WeakPolarHBondContact O-CB 3.3Å; R88-Q92 WeakPolarHBondContact O-CG 3.47Å; R88-Q92 PolarHBondContact O-N 3.13Å; R88-I145 VanDerWaalsContact CZ-CG1 3.48Å; R88-I145 VanDerWaalsContact NH1-CG1 3.26Å
89L92Very high92.1Very high105 Ų10558.6 Ų58.655%0.5529%0.291SS..Hα-helixtrans-59.5-41.4175.7-68.2174.2000111.4F85 H86 R93F85-L89 WeakPolarHBondContact O-CG 3.33Å; F85-L89 PolarHBondContact O-N 2.81Å; H86-L89 PolarHBondContact O-N 3.45Å; L89-R93 VanDerWaalsContact O-CB 3.28Å; L89-R93 WeakPolarHBondContact O-CB 3.4Å; L89-R93 PolarHBondContact O-N 2.83Å
90I94Very high91.7Very high6 Ų658.9 Ų58.93%0.03130%0.295CS..Hα-helixtrans-66.1-46.5175.8-69.2172.2000110.8I56 Y60 F63 H86 I87 R88 Q92 R93 L94 W96I56-I90 HydrophobicContact CG2-CG2 4.05Å; Y60-I90 HydrophobicContact CD2-CD1 3.65Å; Y60-I90 HydrophobicContact CE2-CD1 3.57Å; Y60-I90 HydrophobicContact CE2-CG1 4.27Å; Y60-I90 HydrophobicContact CG-CD1 4.41Å; F63-I90 HydrophobicContact CE2-CD1 3.49Å; F63-I90 VanDerWaalsContact CE2-CD1 3.49Å; F63-I90 HydrophobicContact CZ-CD1 3.83Å; H86-I90 WeakPolarHBondContact O-CG1 3.18Å; H86-I90 PolarHBondContact O-N 3.07Å; I87-I90 PolarHBondContact O-N 3.26Å; R88-I90 VanDerWaalsContact C-N 3.27Å; R88-I90 PolarHBondContact O-N 3.18Å; I90-Q92 VanDerWaalsContact C-N 3.35Å; I90-Q92 PolarHBondContact O-N 3.22Å; I90-R93 PolarHBondContact O-N 2.98Å; I90-L94 HydrophobicContact CG2-CD1 3.65Å; I90-L94 HydrophobicContact CG2-CG 4.24Å; I90-L94 WeakPolarHBondContact O-CB 3.48Å; I90-L94 WeakPolarHBondContact O-CG 3.34Å; I90-L94 PolarHBondContact O-N 3.17Å; I90-W96 HydrophobicContact CG2-CE3 4.44Å; I90-W96 HydrophobicContact CG2-CH2 3.66Å; I90-W96 HydrophobicContact CG2-CZ2 4.02Å; I90-W96 HydrophobicContact CG2-CZ3 3.89Å
91A93.6Very high91.6Very high11 Ų1165.4 Ų65.49%0.09132%0.32CS..Hα-helixtrans-58.2-46.7178.900000111.4I87 R88 L94 G95 W96 L103I87-A91 WeakPolarHBondContact O-CB 3.34Å; I87-A91 PolarHBondContact O-N 2.93Å; R88-A91 PolarHBondContact O-N 2.92Å; A91-L94 PolarHBondContact O-N 3.26Å; A91-G95 CarbonylContact O-C 3.59Å; A91-G95 WeakPolarHBondContact O-CA 3.19Å; A91-G95 PolarHBondContact O-N 3.41Å; A91-W96 HydrophobicContact CB-CB 3.94Å; A91-W96 HydrophobicContact CB-CD2 4.46Å; A91-W96 HydrophobicContact CB-CE3 4.02Å; A91-W96 HydrophobicContact CB-CG 4.47Å; A91-W96 PolarHBondContact O-N 2.81Å; A91-L103 HydrophobicContact CB-CD2 4.08Å
92Q91.1Very high91.6Very high126 Ų12666 Ų6659%0.58932%0.322SS*.Hα-helixtrans-61.7-48.4175.6-73.1175.9-12.600112R88 I90 L94 G95R88-Q92 WeakPolarHBondContact O-CB 3.3Å; R88-Q92 WeakPolarHBondContact O-CG 3.47Å; R88-Q92 PolarHBondContact O-N 3.13Å; I90-Q92 VanDerWaalsContact C-N 3.35Å; I90-Q92 PolarHBondContact O-N 3.22Å; Q92-L94 VanDerWaalsContact C-N 3.31Å; Q92-L94 PolarHBondContact O-N 3.02Å; Q92-G95 PolarHBondContact O-N 3.49Å
93R94.1Very high91.5Very high147 Ų14761.8 Ų61.856%0.55531%0.308SS*.Hα-helixtrans-63.1-37.3-178.9-175.4-174.465.7-169.6-2.3112.6Y60 L89 I90Y60-R93 PolarHBondContact OH-NH1 3.39Å; Y60-R93 PolarHBondContact OH-NH2 3.36Å; L89-R93 VanDerWaalsContact O-CB 3.28Å; L89-R93 WeakPolarHBondContact O-CB 3.4Å; L89-R93 PolarHBondContact O-N 2.83Å; I90-R93 PolarHBondContact O-N 2.98Å
94L95.3Very high91.3Very high76 Ų7663.3 Ų63.340%0.39832%0.324SS..Hα-helixtrans-95.8-0.6-176.8-61.3-176.7000113.4I56 I90 A91 Q92 W96I56-L94 HydrophobicContact CD1-CD1 3.91Å; I56-L94 HydrophobicContact CG2-CD1 4.37Å; I90-L94 HydrophobicContact CG2-CD1 3.65Å; I90-L94 HydrophobicContact CG2-CG 4.24Å; I90-L94 WeakPolarHBondContact O-CB 3.48Å; I90-L94 WeakPolarHBondContact O-CG 3.34Å; I90-L94 PolarHBondContact O-N 3.17Å; A91-L94 PolarHBondContact O-N 3.26Å; Q92-L94 VanDerWaalsContact C-N 3.31Å; Q92-L94 PolarHBondContact O-N 3.02Å; L94-W96 HydrophobicContact CB-CG 4.43Å; L94-W96 HydrophobicContact CD1-CZ2 3.67Å
95G93.8Very high91.4Very high58 Ų5864.2 Ų64.260%0.59833%0.326SS*.THydrogen-bonded Turntrans6731-179.200000114.2A91 Q92A91-G95 CarbonylContact O-C 3.59Å; A91-G95 WeakPolarHBondContact O-CA 3.19Å; A91-G95 PolarHBondContact O-N 3.41Å; Q92-G95 PolarHBondContact O-N 3.49Å
96W94.3Very high91.6Very high32 Ų3260.2 Ų60.212%0.12131%0.308CS..  trans-69.2134.1175.3-61.6-10.5000110.4V53 I56 I90 A91 L94 E102 L103 A106V53-W96 HydrophobicContact CG1-CH2 3.88Å; V53-W96 HydrophobicContact CG1-CZ2 4.46Å; V53-W96 HydrophobicContact CG1-CZ3 4.41Å; V53-W96 HydrophobicContact CG2-CH2 4.24Å; V53-W96 HydrophobicContact CG2-CZ2 4Å; I56-W96 HydrophobicContact CD1-CZ2 4.07Å; I56-W96 HydrophobicContact CG2-CH2 4.45Å; I90-W96 HydrophobicContact CG2-CE3 4.44Å; I90-W96 HydrophobicContact CG2-CH2 3.66Å; I90-W96 HydrophobicContact CG2-CZ2 4.02Å; I90-W96 HydrophobicContact CG2-CZ3 3.89Å; A91-W96 HydrophobicContact CB-CB 3.94Å; A91-W96 HydrophobicContact CB-CD2 4.46Å; A91-W96 HydrophobicContact CB-CE3 4.02Å; A91-W96 HydrophobicContact CB-CG 4.47Å; A91-W96 PolarHBondContact O-N 2.81Å; L94-W96 HydrophobicContact CB-CG 4.43Å; L94-W96 HydrophobicContact CD1-CZ2 3.67Å; W96-E102 HydrophobicContact CB-CB 4.23Å; W96-E102 HydrophobicContact CD2-CB 3.48Å; W96-E102 VanDerWaalsContact CD2-CB 3.48Å; W96-E102 HydrophobicContact CD2-CG 4.06Å; W96-E102 HydrophobicContact CE3-CB 3.76Å; W96-E102 HydrophobicContact CG-CB 3.71Å; W96-E102 HydrophobicContact CG-CG 4Å; W96-E102 HydrophobicContact CZ2-CB 4.35Å; W96-E102 HydrophobicContact CZ3-CB 4.31Å; W96-L103 HydrophobicContact CE3-CD2 4.2Å; W96-A106 HydrophobicContact CZ3-CB 4.4Å
97L87.1Confident91.6Very high130 Ų13058.5 Ų58.568%0.68130%0.3SS*.  trans-73148.1176-59.1177.2000110.5D99 G100 L103L97-D99 VanDerWaalsContact C-N 3.29Å; L97-D99 PolarHBondContact O-N 2.67Å; L97-G100 WeakPolarHBondContact O-CA 3.32Å; L97-G100 PolarHBondContact O-N 3.11Å; L97-L103 WeakPolarHBondContact O-CD1 3.18Å
98E77.4Confident91.6Very high61 Ų6159.4 Ų59.429%0.28530%0.302SS..THydrogen-bonded Turntrans-61.3-36.2-179.3-170.865.2-156.300112.9G100 L103 K143E98-G100 VanDerWaalsContact C-N 3.34Å; E98-L103 VanDerWaalsContact O-CD1 3.28Å; E98-L103 WeakPolarHBondContact O-CD1 3.22Å; E98-K143 HydrophobicContact CG-CG 4.46Å
99D77.1Confident91.8Very high122 Ų12257.3 Ų57.365%0.65229%0.294SS*.THydrogen-bonded Turntrans-100.816.1173.4-55.2-36.4000111.4L97 R127L97-D99 VanDerWaalsContact C-N 3.29Å; L97-D99 PolarHBondContact O-N 2.67Å; D99-R127 IonicContact OD1-CZ 2.81Å; D99-R127 IonicContact OD1-NH1 2.82Å; D99-R127 PolarHBondContact OD1-NH1 2.74Å; D99-R127 IonicContact OD2-CZ 2.72Å; D99-R127 IonicContact OD2-NH1 3.32Å; D99-R127 PolarHBondContact OD2-NH1 2.91Å
100G87.8Confident92Very high14 Ų1452.4 Ų52.414%0.14427%0.269CS..SBendtrans-69.4152.2177.400000111.8L97 E98 E102 L103L97-G100 WeakPolarHBondContact O-CA 3.32Å; L97-G100 PolarHBondContact O-N 3.11Å; E98-G100 VanDerWaalsContact C-N 3.34Å; G100-E102 PolarHBondContact O-N 3.18Å; G100-L103 PolarHBondContact O-N 3.33Å
101R93.1Very high91.9Very high138 Ų13853 Ų5352%0.52127%0.274SS..Hα-helixtrans-64.3-26.4179.2-61-174.8-170.8-144.28111.6N46 L49 L103 G104 Y105N46-R101 PolarHBondContact ND2-NH1 3.4Å; N46-R101 PolarHBondContact OD1-NH1 3.33Å; L49-R101 HydrophobicContact CD2-CB 4.29Å; R101-L103 VanDerWaalsContact C-N 3.34Å; R101-L103 PolarHBondContact O-N 3.44Å; R101-G104 CarbonylContact O-C 3.56Å; R101-G104 WeakPolarHBondContact O-CA 3.42Å; R101-G104 PolarHBondContact O-N 3.05Å; R101-G104 VanDerWaalsContact O-N 3.1Å; R101-Y105 HydrophobicContact CB-CD2 4.23Å; R101-Y105 HydrophobicContact CB-CE2 3.7Å; R101-Y105 VanDerWaalsContact O-CD2 3.3Å; R101-Y105 WeakPolarHBondContact O-CD2 3.41Å; R101-Y105 VanDerWaalsContact O-CG 3.29Å; R101-Y105 PolarHBondContact O-N 3.27Å
102E96.3Very high91.8Very high42 Ų4252.6 Ų52.620%0.19627%0.27CS..Hα-helixtrans-59.3-42.5-179.7-62.290.2156.100112.4L49 V53 W96 G100 G104 Y105 A106L49-E102 HydrophobicContact CD1-CG 3.92Å; L49-E102 HydrophobicContact CD2-CG 4.31Å; L49-E102 HydrophobicContact CG-CG 4.32Å; V53-E102 HydrophobicContact CG2-CB 3.86Å; V53-E102 HydrophobicContact CG2-CG 3.81Å; W96-E102 HydrophobicContact CB-CB 4.23Å; W96-E102 HydrophobicContact CD2-CB 3.48Å; W96-E102 VanDerWaalsContact CD2-CB 3.48Å; W96-E102 HydrophobicContact CD2-CG 4.06Å; W96-E102 HydrophobicContact CE3-CB 3.76Å; W96-E102 HydrophobicContact CG-CB 3.71Å; W96-E102 HydrophobicContact CG-CG 4Å; W96-E102 HydrophobicContact CZ2-CB 4.35Å; W96-E102 HydrophobicContact CZ3-CB 4.31Å; G100-E102 PolarHBondContact O-N 3.18Å; E102-G104 VanDerWaalsContact C-N 3.32Å; E102-G104 PolarHBondContact O-N 3.42Å; E102-Y105 PolarHBondContact O-N 3.18Å; E102-A106 WeakPolarHBondContact O-CB 3.29Å; E102-A106 PolarHBondContact O-N 2.76Å
103L93.2Very high91.9Very high23 Ų2346.9 Ų46.912%0.1224%0.244CC..Hα-helixtrans-67.7-35.8176.1-70.9175.8000111.7I87 A91 W96 L97 E98 G100 R101 A106 Y107I87-L103 HydrophobicContact CG2-CD2 3.48Å; I87-L103 VanDerWaalsContact CG2-CD2 3.48Å; A91-L103 HydrophobicContact CB-CD2 4.08Å; W96-L103 HydrophobicContact CE3-CD2 4.2Å; L97-L103 WeakPolarHBondContact O-CD1 3.18Å; E98-L103 VanDerWaalsContact O-CD1 3.28Å; E98-L103 WeakPolarHBondContact O-CD1 3.22Å; G100-L103 PolarHBondContact O-N 3.33Å; R101-L103 VanDerWaalsContact C-N 3.34Å; R101-L103 PolarHBondContact O-N 3.44Å; L103-A106 PolarHBondContact O-N 3.11Å; L103-Y107 WeakPolarHBondContact O-CB 3.36Å; L103-Y107 PolarHBondContact O-N 2.93Å
104G93.1Very high91.9Very high33 Ų3340.2 Ų40.234%0.3422%0.219SC..Hα-helixtrans-61.9-43.5170.700000112.5R101 E102 Y107 R108R101-G104 CarbonylContact O-C 3.56Å; R101-G104 WeakPolarHBondContact O-CA 3.42Å; R101-G104 PolarHBondContact O-N 3.05Å; R101-G104 VanDerWaalsContact O-N 3.1Å; E102-G104 VanDerWaalsContact C-N 3.32Å; E102-G104 PolarHBondContact O-N 3.42Å; G104-Y107 WeakPolarHBondContact O-CB 3.22Å; G104-Y107 PolarHBondContact O-N 3.28Å; G104-R108 PolarHBondContact O-N 3.45Å
105Y95.9Very high91.9Very high26 Ų2636.8 Ų36.810%0.10220%0.202CC..Hα-helixtrans-70-36.6177.4-61.4-33.7000112.7N46 L49 R50 V53 R101 E102 Y107 R108 A109N46-Y105 WeakPolarHBondContact CB-OH 3.31Å; L49-Y105 HydrophobicContact CB-CE2 4.15Å; L49-Y105 HydrophobicContact CD2-CE2 4Å; L49-Y105 HydrophobicContact CG-CD2 4.15Å; L49-Y105 HydrophobicContact CG-CE2 3.9Å; R50-Y105 HydrophobicContact CB-CD1 3.79Å; R50-Y105 HydrophobicContact CB-CD2 3.76Å; R50-Y105 HydrophobicContact CB-CE1 3.89Å; R50-Y105 HydrophobicContact CB-CE2 3.83Å; R50-Y105 HydrophobicContact CB-CG 3.74Å; R50-Y105 HydrophobicContact CG-CD1 3.63Å; R50-Y105 HydrophobicContact CG-CD2 4.32Å; R50-Y105 HydrophobicContact CG-CE1 4.09Å; R50-Y105 HydrophobicContact CG-CG 3.78Å; V53-Y105 HydrophobicContact CG2-CD2 4.49Å; R101-Y105 HydrophobicContact CB-CD2 4.23Å; R101-Y105 HydrophobicContact CB-CE2 3.7Å; R101-Y105 VanDerWaalsContact O-CD2 3.3Å; R101-Y105 WeakPolarHBondContact O-CD2 3.41Å; R101-Y105 VanDerWaalsContact O-CG 3.29Å; R101-Y105 PolarHBondContact O-N 3.27Å; E102-Y105 PolarHBondContact O-N 3.18Å; Y105-Y107 VanDerWaalsContact C-N 3.33Å; Y105-R108 PolarHBondContact O-N 3.21Å; Y105-A109 WeakPolarHBondContact O-CB 3.29Å; Y105-A109 PolarHBondContact O-N 3.09Å
106A95.8Very high91.9Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-63-42.1171.700000111.2V53 I57 W96 E102 L103 A109 L110V53-A106 HydrophobicContact CG1-CB 4.04Å; I57-A106 HydrophobicContact CD1-CB 3.93Å; I57-A106 HydrophobicContact CG1-CB 4.03Å; W96-A106 HydrophobicContact CZ3-CB 4.4Å; E102-A106 WeakPolarHBondContact O-CB 3.29Å; E102-A106 PolarHBondContact O-N 2.76Å; L103-A106 PolarHBondContact O-N 3.11Å; A106-A109 PolarHBondContact O-N 2.75Å; A106-L110 WeakPolarHBondContact O-CG 3.46Å; A106-L110 PolarHBondContact O-N 3.38Å
107Y94.3Very high91.8Very high17 Ų1733.4 Ų33.47%0.06717%0.173CC..Hα-helixtrans-59.6-45.9173.5-169.5-101000111.8L103 G104 Y105 L110 S111 G112 V114 N117 E304L103-Y107 WeakPolarHBondContact O-CB 3.36Å; L103-Y107 PolarHBondContact O-N 2.93Å; G104-Y107 WeakPolarHBondContact O-CB 3.22Å; G104-Y107 PolarHBondContact O-N 3.28Å; Y105-Y107 VanDerWaalsContact C-N 3.33Å; Y107-L110 PolarHBondContact O-N 2.94Å; Y107-S111 PolarHBondContact O-N 3.23Å; Y107-S111 VanDerWaalsContact O-N 3.16Å; Y107-G112 PolarHBondContact O-N 2.92Å; Y107-G112 WeakPolarHBondContact OH-CA 3.4Å; Y107-V114 HydrophobicContact CD2-CG2 3.54Å; Y107-V114 HydrophobicContact CE2-CG2 3.46Å; Y107-V114 VanDerWaalsContact CE2-CG2 3.46Å; Y107-N117 VanDerWaalsContact CE2-OD1 3.3Å; Y107-N117 WeakPolarHBondContact CE2-OD1 3.28Å; Y107-E304 HydrophobicContact CE1-CG 4.23Å; Y107-E304 PolarHBondContact OH-OE1 3.42Å; Y107-E304 PolarHBondContact OH-OE2 3.15Å
108R94.5Very high92.2Very high35 Ų3529 Ų2913%0.13215%0.15CC..Hα-helixtrans-59.9-48.4176.3-176.4-170.6173.3-73.77.9111.8E54 G104 Y105 L110 S111 F627 D628 F629 C633E54-R108 IonicContact OE1-CZ 3.38Å; E54-R108 IonicContact OE1-NH1 2.76Å; E54-R108 PolarHBondContact OE1-NH1 3.21Å; G104-R108 PolarHBondContact O-N 3.45Å; Y105-R108 PolarHBondContact O-N 3.21Å; R108-L110 PolarHBondContact O-N 3.48Å; R108-S111 PolarHBondContact O-N 3.47Å; R108-F627 PolarHBondContact NH2-O 3.3Å; R108-D628 PolarHBondContact NH2-O 3.03Å; R108-F629 HydrophobicContact CG-CE1 4.47Å; R108-C633 PolarHBondContact O-SG 3.44Å
109A94.8Very high93Very high1 Ų126.2 Ų26.21%0.00814%0.136CC..Hα-helixtrans-55.3-38.6179.600000111.9E54 I57 Y105 A106 S111 C633E54-A109 HydrophobicContact CG-CB 3.86Å; I57-A109 HydrophobicContact CB-CB 4.44Å; I57-A109 HydrophobicContact CG2-CB 4.21Å; Y105-A109 WeakPolarHBondContact O-CB 3.29Å; Y105-A109 PolarHBondContact O-N 3.09Å; A106-A109 PolarHBondContact O-N 2.75Å; A109-S111 VanDerWaalsContact C-N 3.34Å; A109-C633 WeakPolarHBondContact O-CA 3.41Å
110L94.9Very high93.7Very high3 Ų324.2 Ų24.22%0.01612%0.12CC..THydrogen-bonded Turntrans-88.33179.1-61.6174.2000113.7I57 F63 R65 I87 A106 Y107 R108 G112 D113 V114I57-L110 HydrophobicContact CG2-CD1 4.5Å; I57-L110 HydrophobicContact CG2-CD2 3.8Å; I57-L110 HydrophobicContact CG2-CG 4.06Å; F63-L110 HydrophobicContact CB-CD2 3.9Å; F63-L110 HydrophobicContact CD1-CD1 3.94Å; F63-L110 HydrophobicContact CD1-CD2 4.21Å; F63-L110 HydrophobicContact CE1-CD1 4.39Å; F63-L110 HydrophobicContact CG-CD2 4.3Å; R65-L110 WeakPolarHBondContact CD-O 3.49Å; R65-L110 PolarHBondContact NE-O 2.96Å; I87-L110 HydrophobicContact CD1-CD1 3.65Å; I87-L110 HydrophobicContact CG1-CD1 4.4Å; A106-L110 WeakPolarHBondContact O-CG 3.46Å; A106-L110 PolarHBondContact O-N 3.38Å; Y107-L110 PolarHBondContact O-N 2.94Å; R108-L110 PolarHBondContact O-N 3.48Å; L110-G112 PolarHBondContact O-N 2.77Å; L110-D113 WeakPolarHBondContact O-CB 3.4Å; L110-D113 PolarHBondContact O-N 3.12Å; L110-V114 HydrophobicContact CB-CG1 4.24Å; L110-V114 HydrophobicContact CD1-CG1 3.44Å; L110-V114 VanDerWaalsContact CD1-CG1 3.44Å; L110-V114 HydrophobicContact CG-CG1 4.49Å
111S93.1Very high94Very high19 Ų1924.4 Ų24.413%0.13312%0.118CC..THydrogen-bonded Turntrans55.128.8-173.7-54.30000114.9R65 Y107 R108 A109 D113 K311 K429 C633R65-S111 PolarHBondContact NH1-OG 3.41Å; R65-S111 PolarHBondContact NH2-OG 2.79Å; Y107-S111 PolarHBondContact O-N 3.23Å; Y107-S111 VanDerWaalsContact O-N 3.16Å; R108-S111 PolarHBondContact O-N 3.47Å; A109-S111 VanDerWaalsContact C-N 3.34Å; S111-D113 PolarHBondContact O-N 2.98Å; S111-K311 VanDerWaalsContact CB-NZ 3.34Å; S111-K311 PolarHBondContact OG-NZ 3.36Å; S111-K429 PolarHBondContact O-NZ 3.38Å; S111-K429 VanDerWaalsContact O-NZ 3.13Å; S111-C633 PolarHBondContact OG-O 2.99Å
112G91.5Very high94.2Very high2 Ų217.8 Ų17.82%0.0219%0.093CC..THydrogen-bonded Turntrans70.415.1-174.200000115.2Y107 L110 V114Y107-G112 PolarHBondContact O-N 2.92Å; Y107-G112 WeakPolarHBondContact OH-CA 3.4Å; L110-G112 PolarHBondContact O-N 2.77Å; G112-V114 PolarHBondContact O-N 3.06Å
113D93.4Very high94.2Very high5 Ų516 Ų163%0.0279%0.085CC..  trans-7854.5176.9-170.626.9000112.4R65 N68 R76 R83 L110 S111R65-D113 IonicContact NE-OD2 3.55Å; N68-D113 PolarHBondContact ND2-OD2 3.08Å; R76-D113 IonicContact CZ-OD1 3.58Å; R76-D113 VanDerWaalsContact CZ-OD1 3.23Å; R76-D113 IonicContact CZ-OD2 3.71Å; R76-D113 IonicContact NH1-OD1 2.76Å; R76-D113 PolarHBondContact NH1-OD1 2.74Å; R76-D113 IonicContact NH1-OD2 3.72Å; R76-D113 PolarHBondContact NH1-OD2 3.32Å; R76-D113 IonicContact NH2-OD1 3.33Å; R76-D113 PolarHBondContact NH2-OD1 3.29Å; R76-D113 IonicContact NH2-OD2 2.69Å; R83-D113 IonicContact CZ-OD2 3.97Å; R83-D113 PolarHBondContact NE-O 2.84Å; R83-D113 IonicContact NE-OD2 3.23Å; R83-D113 IonicContact NH1-OD2 3.75Å; R83-D113 PolarHBondContact NH2-O 2.92Å; R83-D113 VanDerWaalsContact NH2-O 3.11Å; R83-D113 IonicContact NH2-OD1 3.55Å; R83-D113 PolarHBondContact NH2-OD1 3.42Å; R83-D113 VanDerWaalsContact NH2-OD1 3.16Å; R83-D113 IonicContact NH2-OD2 3.81Å; R83-D113 PolarHBondContact NH2-OD2 2.89Å; L110-D113 WeakPolarHBondContact O-CB 3.4Å; L110-D113 PolarHBondContact O-N 3.12Å; S111-D113 PolarHBondContact O-N 2.98Å
114V93.6Very high94.2Very high7 Ų716.7 Ų16.74%0.0429%0.087CC..  trans-130.8150.5-179.6-63.40000109.6R83 I87 Y107 L110 G112 N117R83-V114 HydrophobicContact CB-CG1 4.26Å; I87-V114 HydrophobicContact CD1-CG1 3.72Å; Y107-V114 HydrophobicContact CD2-CG2 3.54Å; Y107-V114 HydrophobicContact CE2-CG2 3.46Å; Y107-V114 VanDerWaalsContact CE2-CG2 3.46Å; L110-V114 HydrophobicContact CB-CG1 4.24Å; L110-V114 HydrophobicContact CD1-CG1 3.44Å; L110-V114 VanDerWaalsContact CD1-CG1 3.44Å; L110-V114 HydrophobicContact CG-CG1 4.49Å; G112-V114 PolarHBondContact O-N 3.06Å; V114-N117 WeakPolarHBondContact CG2-OD1 3.47Å; V114-N117 PolarHBondContact O-ND2 3.11Å; V114-N117 VanDerWaalsContact O-ND2 3.09Å
115A94Very high94.4Very high4 Ų415.1 Ų15.13%0.0337%0.07CC..SBendtrans-84.5173.517400000110.8A80 M81 A84 N117A80-A115 HydrophobicContact CB-CB 4.05Å; A80-A115 PolarHBondContact O-N 2.79Å; M81-A115 HydrophobicContact CB-CB 4.47Å; M81-A115 HydrophobicContact CG-CB 3.81Å; M81-A115 HydrophobicContact SD-CB 3.47Å; M81-A115 WeakPolarHBondContact SD-CB 3.17Å; A84-A115 HydrophobicContact CB-CB 4.38Å; A84-A115 WeakPolarHBondContact CB-O 3.45Å; A115-N117 VanDerWaalsContact C-N 3.32Å; A115-N117 PolarHBondContact O-N 2.78Å
116L93.9Very high94.4Very high3 Ų313.9 Ų13.92%0.0167%0.066CC..  trans66.332.5176.4-48.5-177.6000113.4M81 H119 I148 D194M81-L116 HydrophobicContact CE-CD2 4.4Å; M81-L116 HydrophobicContact SD-CD1 4.33Å; M81-L116 HydrophobicContact SD-CD2 3.97Å; M81-L116 HydrophobicContact SD-CG 3.95Å; L116-H119 HydrophobicContact CB-CB 4.05Å; L116-H119 WeakPolarHBondContact O-CB 3.39Å; L116-I148 HydrophobicContact CD2-CG2 3.64Å; L116-D194 VanDerWaalsContact C-OD2 3.31Å; L116-D194 VanDerWaalsContact CA-OD1 3.29Å; L116-D194 WeakPolarHBondContact CA-OD1 3.1Å; L116-D194 VanDerWaalsContact CA-OD2 3.24Å; L116-D194 WeakPolarHBondContact CA-OD2 3.4Å; L116-D194 HydrophobicContact CD2-CB 4.32Å; L116-D194 PolarHBondContact N-OD1 3.34Å
117N92.3Very high94.4Very high17 Ų1715.8 Ų15.89%0.0917%0.073CC..Hα-helixtrans-70.2-36.8176.4-72.2-28.9000111.7Y107 V114 A115 H119 R120 V121 D194 M250Y107-N117 VanDerWaalsContact CE2-OD1 3.3Å; Y107-N117 WeakPolarHBondContact CE2-OD1 3.28Å; V114-N117 WeakPolarHBondContact CG2-OD1 3.47Å; V114-N117 PolarHBondContact O-ND2 3.11Å; V114-N117 VanDerWaalsContact O-ND2 3.09Å; A115-N117 VanDerWaalsContact C-N 3.32Å; A115-N117 PolarHBondContact O-N 2.78Å; N117-H119 VanDerWaalsContact C-N 3.31Å; N117-R120 WeakPolarHBondContact O-CB 3.33Å; N117-R120 PolarHBondContact O-N 3Å; N117-V121 PolarHBondContact O-N 3.48Å; N117-D194 PolarHBondContact N-OD2 2.92Å; N117-M250 HydrophobicContact CB-CE 4.06Å
118I95.6Very high94.4Very high38 Ų3815 Ų1520%0.1957%0.07CC..Hα-helixtrans-79.1-21-179.8-52.7-50.6000110.8R120 V121 F122 T150 G193 D194 M250I118-R120 PolarHBondContact O-N 3.49Å; I118-V121 HydrophobicContact CD1-CG2 4.2Å; I118-V121 HydrophobicContact CG2-CB 4.32Å; I118-V121 CarbonylContact O-C 3.53Å; I118-V121 WeakPolarHBondContact O-CA 3.47Å; I118-V121 WeakPolarHBondContact O-CB 3.36Å; I118-V121 PolarHBondContact O-N 2.83Å; I118-V121 VanDerWaalsContact O-N 3.09Å; I118-F122 PolarHBondContact O-N 2.9Å; I118-T150 VanDerWaalsContact CG2-OG1 3.29Å; I118-T150 WeakPolarHBondContact CG2-OG1 3.06Å; I118-G193 WeakPolarHBondContact CB-O 3.27Å; I118-D194 WeakPolarHBondContact CA-OD2 3.36Å; I118-D194 VanDerWaalsContact CB-OD2 3.3Å; I118-D194 WeakPolarHBondContact CB-OD2 3.26Å; I118-D194 PolarHBondContact N-OD2 2.93Å; I118-M250 HydrophobicContact CD1-CE 4.16Å; I118-M250 HydrophobicContact CG1-CE 3.82Å
119H95.5Very high94.5Very high1 Ų113.6 Ų13.61%0.0057%0.065CC..Hα-helixtrans-55.8-39.4163.6-175.269.4000113.2L116 N117 V121 F122 L123 A149 D194L116-H119 HydrophobicContact CB-CB 4.05Å; L116-H119 WeakPolarHBondContact O-CB 3.39Å; N117-H119 VanDerWaalsContact C-N 3.31Å; H119-V121 VanDerWaalsContact C-N 3.33Å; H119-F122 WeakPolarHBondContact O-CB 3.47Å; H119-F122 PolarHBondContact O-N 3.41Å; H119-L123 PolarHBondContact O-N 3.4Å; H119-A149 WeakPolarHBondContact CA-O 3.42Å; H119-A149 WeakPolarHBondContact CB-O 3.33Å; H119-A149 PolarHBondContact ND1-N 3.31Å; H119-A149 VanDerWaalsContact ND1-N 3.11Å; H119-A149 PolarHBondContact ND1-O 2.59Å; H119-D194 PolarHBondContact N-OD2 2.77Å; H119-D194 VanDerWaalsContact N-OD2 3.12Å
120R91.5Very high94.6Very high80 Ų8013.6 Ų13.630%0.3027%0.065SC..Hα-helixtrans-68.8-34.6175.1-60.6174.164.8-154.4-0.8111.6N117 I118 L123 K124N117-R120 WeakPolarHBondContact O-CB 3.33Å; N117-R120 PolarHBondContact O-N 3Å; I118-R120 PolarHBondContact O-N 3.49Å; R120-L123 PolarHBondContact O-N 2.79Å; R120-K124 WeakPolarHBondContact O-CG 3.36Å; R120-K124 PolarHBondContact O-N 3.04Å; R120-K124 VanDerWaalsContact O-N 3.17Å
121V94.6Very high94.7Very high18 Ų1814.3 Ų14.311%0.1097%0.07CC..Hα-helixtrans-64.7-42172.8176.10000111N117 I118 H119 L123 K124 A125 Y151 V296N117-V121 PolarHBondContact O-N 3.48Å; I118-V121 HydrophobicContact CD1-CG2 4.2Å; I118-V121 HydrophobicContact CG2-CB 4.32Å; I118-V121 CarbonylContact O-C 3.53Å; I118-V121 WeakPolarHBondContact O-CA 3.47Å; I118-V121 WeakPolarHBondContact O-CB 3.36Å; I118-V121 PolarHBondContact O-N 2.83Å; I118-V121 VanDerWaalsContact O-N 3.09Å; H119-V121 VanDerWaalsContact C-N 3.33Å; V121-L123 PolarHBondContact O-N 3.13Å; V121-K124 PolarHBondContact O-N 2.9Å; V121-A125 WeakPolarHBondContact O-CB 3.41Å; V121-A125 PolarHBondContact O-N 2.71Å; V121-Y151 HydrophobicContact CG1-CD1 4.44Å; V121-Y151 HydrophobicContact CG1-CD2 4.45Å; V121-Y151 HydrophobicContact CG1-CG 4.04Å; V121-V296 HydrophobicContact CB-CG2 4.4Å; V121-V296 HydrophobicContact CG1-CG2 3.74Å; V121-V296 HydrophobicContact CG2-CG1 4.43Å; V121-V296 HydrophobicContact CG2-CG2 4.09Å
122F96.9Very high94.9Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-57.2-48.9173.2171.3-83.9000111.7I118 H119 K124 A125 L126 C142 A149 T150 L203 I221I118-F122 PolarHBondContact O-N 2.9Å; H119-F122 WeakPolarHBondContact O-CB 3.47Å; H119-F122 PolarHBondContact O-N 3.41Å; F122-K124 VanDerWaalsContact C-N 3.3Å; F122-K124 PolarHBondContact O-N 3.34Å; F122-A125 PolarHBondContact O-N 3.01Å; F122-A125 VanDerWaalsContact O-N 3.13Å; F122-L126 HydrophobicContact CE1-CB 4.36Å; F122-L126 HydrophobicContact CE1-CD2 4.25Å; F122-L126 WeakPolarHBondContact O-CB 3.17Å; F122-L126 PolarHBondContact O-N 2.91Å; F122-C142 WeakPolarHBondContact CE1-SG 3.46Å; F122-A149 HydrophobicContact CB-CB 4.1Å; F122-A149 HydrophobicContact CD1-CB 3.48Å; F122-A149 VanDerWaalsContact CD1-CB 3.48Å; F122-A149 HydrophobicContact CD2-CB 3.52Å; F122-A149 HydrophobicContact CE1-CB 3.73Å; F122-A149 HydrophobicContact CE2-CB 3.73Å; F122-A149 HydrophobicContact CG-CB 3.4Å; F122-A149 HydrophobicContact CZ-CB 3.84Å; F122-T150 WeakPolarHBondContact CD2-O 3.21Å; F122-L203 HydrophobicContact CD2-CB 3.56Å; F122-L203 HydrophobicContact CE2-CB 3.7Å; F122-L203 HydrophobicContact CE2-CD1 4.41Å; F122-I221 HydrophobicContact CE2-CG1 4.24Å; F122-I221 HydrophobicContact CZ-CD1 4.15Å; F122-I221 HydrophobicContact CZ-CG1 4.25Å
123L95.3Very high95.1Very high4 Ų425.6 Ų25.62%0.02112%0.12CC..Hα-helixtrans-58.4-42.2179.9-82172.1000112.2H119 R120 V121 L126 R127 C142H119-L123 PolarHBondContact O-N 3.4Å; R120-L123 PolarHBondContact O-N 2.79Å; V121-L123 PolarHBondContact O-N 3.13Å; L123-L126 PolarHBondContact O-N 2.98Å; L123-R127 WeakPolarHBondContact O-CG 3.37Å; L123-R127 PolarHBondContact O-N 3.06Å; L123-C142 HydrophobicContact CD2-CB 3.46Å; L123-C142 VanDerWaalsContact CD2-CB 3.46Å; L123-C142 HydrophobicContact CG-CB 4.17Å
124K93.8Very high95.4Very high37 Ų3725.9 Ų25.916%0.16112%0.121CC..Hα-helixtrans-64-45.5174.8-68.8169.7180-177.20111.6R120 V121 F122 L126 R127 S128 V295 E299R120-K124 WeakPolarHBondContact O-CG 3.36Å; R120-K124 PolarHBondContact O-N 3.04Å; R120-K124 VanDerWaalsContact O-N 3.17Å; V121-K124 PolarHBondContact O-N 2.9Å; F122-K124 VanDerWaalsContact C-N 3.3Å; F122-K124 PolarHBondContact O-N 3.34Å; K124-L126 VanDerWaalsContact C-N 3.32Å; K124-L126 PolarHBondContact O-N 3.36Å; K124-R127 PolarHBondContact O-N 2.84Å; K124-S128 WeakPolarHBondContact O-CB 3.34Å; K124-S128 PolarHBondContact O-N 3.4Å; K124-S128 PolarHBondContact O-OG 3.24Å; K124-V295 HydrophobicContact CB-CG1 4.45Å; K124-V295 HydrophobicContact CD-CG1 4.09Å; K124-V295 HydrophobicContact CG-CG1 4.48Å; K124-E299 WeakPolarHBondContact CE-OE1 3.37Å; K124-E299 WeakPolarHBondContact CE-OE2 3.38Å; K124-E299 IonicContact NZ-OE1 3.16Å; K124-E299 PolarHBondContact NZ-OE1 3.45Å; K124-E299 IonicContact NZ-OE2 2.92Å; K124-E299 PolarHBondContact NZ-OE2 2.82Å
125A96.3Very high95.6Very high0 Ų026.9 Ų26.90%013%0.126CC..Hα-helixtrans-61.2-41177.300000112.2V121 F122 S128 L129 Y151 L203 P292V121-A125 WeakPolarHBondContact O-CB 3.41Å; V121-A125 PolarHBondContact O-N 2.71Å; F122-A125 PolarHBondContact O-N 3.01Å; F122-A125 VanDerWaalsContact O-N 3.13Å; A125-S128 PolarHBondContact O-N 2.81Å; A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 PolarHBondContact O-N 2.97Å; A125-Y151 HydrophobicContact CB-CD2 4.01Å; A125-Y151 HydrophobicContact CB-CE2 4.03Å; A125-L203 HydrophobicContact CB-CD2 3.53Å; A125-P292 HydrophobicContact CB-CB 3.79Å; A125-P292 HydrophobicContact CB-CG 3.91Å
126L97.3Very high95.7Very high0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-58.5-47.2173.4173.765.3000111.2F122 L123 K124 G130 I135 W138 D139 I221 L268F122-L126 HydrophobicContact CE1-CB 4.36Å; F122-L126 HydrophobicContact CE1-CD2 4.25Å; F122-L126 WeakPolarHBondContact O-CB 3.17Å; F122-L126 PolarHBondContact O-N 2.91Å; L123-L126 PolarHBondContact O-N 2.98Å; K124-L126 VanDerWaalsContact C-N 3.32Å; K124-L126 PolarHBondContact O-N 3.36Å; L126-G130 VanDerWaalsContact O-CA 3.22Å; L126-G130 WeakPolarHBondContact O-CA 3.34Å; L126-G130 PolarHBondContact O-N 3.18Å; L126-I135 HydrophobicContact CG-CG1 4.41Å; L126-W138 HydrophobicContact CD1-CB 4.11Å; L126-W138 HydrophobicContact CD2-CB 3.65Å; L126-D139 HydrophobicContact CD2-CB 4.05Å; L126-I221 HydrophobicContact CD1-CD1 4.28Å; L126-L268 HydrophobicContact CD1-CD2 3.89Å
127R94.9Very high95.9Very high40 Ų4034.3 Ų34.315%0.15117%0.171CC..Hα-helixtrans-70.2-32.2179.4-68.1173.6-171.6159.54.3113.1D99 L123 K124 D139D99-R127 IonicContact OD1-CZ 2.81Å; D99-R127 IonicContact OD1-NH1 2.82Å; D99-R127 PolarHBondContact OD1-NH1 2.74Å; D99-R127 IonicContact OD2-CZ 2.72Å; D99-R127 IonicContact OD2-NH1 3.32Å; D99-R127 PolarHBondContact OD2-NH1 2.91Å; L123-R127 WeakPolarHBondContact O-CG 3.37Å; L123-R127 PolarHBondContact O-N 3.06Å; K124-R127 PolarHBondContact O-N 2.84Å; R127-D139 IonicContact CZ-OD1 2.97Å; R127-D139 VanDerWaalsContact CZ-OD1 3.32Å; R127-D139 IonicContact NE-OD1 3.36Å; R127-D139 PolarHBondContact NE-OD1 3.18Å; R127-D139 IonicContact NH2-OD1 3.38Å; R127-D139 PolarHBondContact NH2-OD1 3.07Å; R127-D139 IonicContact NH2-OD2 3.52Å
128S95.3Very high96.2Very high1 Ų134.3 Ų34.31%0.00717%0.17CC..Hα-helixtrans-77.8-33.1178.6-62.90000113.6K124 A125 R270 F271 Y372K124-S128 WeakPolarHBondContact O-CB 3.34Å; K124-S128 PolarHBondContact O-N 3.4Å; K124-S128 PolarHBondContact O-OG 3.24Å; A125-S128 PolarHBondContact O-N 2.81Å; S128-R270 WeakPolarHBondContact O-CD 3.48Å; S128-F271 WeakPolarHBondContact O-CE2 3.43Å; S128-Y372 WeakPolarHBondContact CA-OH 3.48Å; S128-Y372 PolarHBondContact OG-OH 3.5Å
129L96.4Very high96.2Very high6 Ų633.1 Ų33.13%0.03116%0.164CC..Hα-helixtrans-116.2-19.9-172.2-61.6-179.6000114.3A125 A219 L268 S269 R270 F271 P292A125-L129 WeakPolarHBondContact O-CB 3.44Å; A125-L129 PolarHBondContact O-N 2.97Å; L129-A219 HydrophobicContact CD1-CB 4.09Å; L129-L268 HydrophobicContact CB-CB 3.88Å; L129-L268 HydrophobicContact CB-CD1 3.71Å; L129-L268 HydrophobicContact CB-CG 4.47Å; L129-L268 HydrophobicContact CD1-CD1 4.5Å; L129-L268 CarbonylContact O-C 3.38Å; L129-S269 PolarHBondContact O-N 3.08Å; L129-R270 WeakPolarHBondContact O-CB 3.37Å; L129-R270 PolarHBondContact O-N 3.27Å; L129-F271 HydrophobicContact CD2-CD2 3.93Å; L129-F271 HydrophobicContact CD2-CE2 4.16Å; L129-P292 HydrophobicContact CD1-CG 3.54Å; L129-P292 HydrophobicContact CD2-CG 4.23Å; L129-P292 HydrophobicContact CG-CG 3.62Å
130G97Very high96.1Very high0 Ų035.6 Ų35.60%018%0.18CC..SBendtrans-76.9147.3-17900000112.5L126 R270L126-G130 VanDerWaalsContact O-CA 3.22Å; L126-G130 WeakPolarHBondContact O-CA 3.34Å; L126-G130 PolarHBondContact O-N 3.18Å; G130-R270 PolarHBondContact O-NE 3.08Å; G130-R270 PolarHBondContact O-NH2 2.76Å
131S96.4Very high96.4Very high18 Ų1834.2 Ų34.213%0.12618%0.178CC..  trans-66.8166.5164.480.30000110.8E133 Q134 I135S131-E133 WeakPolarHBondContact CB-OE2 3.36Å; S131-E133 PolarHBondContact O-N 3.28Å; S131-E133 PolarHBondContact OG-N 3.02Å; S131-E133 PolarHBondContact OG-OE2 3.24Å; S131-Q134 PolarHBondContact O-N 2.77Å; S131-Q134 VanDerWaalsContact O-N 3.14Å; S131-Q134 WeakPolarHBondContact OG-CG 3.46Å; S131-Q134 PolarHBondContact OG-N 3.09Å; S131-I135 WeakPolarHBondContact O-CG1 3.34Å; S131-I135 PolarHBondContact O-N 3.49Å
132E96.6Very high96.3Very high119 Ų11933.3 Ų33.356%0.55617%0.173SC*.Hα-helixtrans-60.9-36.4178.1-61.5-53.7134.700111.6I135 A136 R270E132-I135 PolarHBondContact O-N 2.93Å; E132-A136 VanDerWaalsContact O-CB 3.31Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 3.32Å; E132-R270 IonicContact OE1-CZ 3.19Å; E132-R270 IonicContact OE1-NH1 3.22Å; E132-R270 IonicContact OE1-NH2 3.85Å; E132-R270 PolarHBondContact OE1-NH2 3.44Å
133E97.4Very high95.9Very high140 Ų14037.2 Ų37.265%0.65419%0.19SC*.Hα-helixtrans-65.9-39.5175.5-55.175.6-163.800111.8S131 A136 K137S131-E133 WeakPolarHBondContact CB-OE2 3.36Å; S131-E133 PolarHBondContact O-N 3.28Å; S131-E133 PolarHBondContact OG-N 3.02Å; S131-E133 PolarHBondContact OG-OE2 3.24Å; E133-A136 PolarHBondContact O-N 3.2Å; E133-K137 WeakPolarHBondContact O-CB 3.33Å; E133-K137 PolarHBondContact O-N 3.38Å
134Q98.1Very high95.5Very high11 Ų1141.4 Ų41.45%0.05121%0.212CC..Hα-helixtrans-68.5-41.1177.2-68.9174.7-4700111.5S131 K137 W138 E265 M267 S269S131-Q134 PolarHBondContact O-N 2.77Å; S131-Q134 VanDerWaalsContact O-N 3.14Å; S131-Q134 WeakPolarHBondContact OG-CG 3.46Å; S131-Q134 PolarHBondContact OG-N 3.09Å; Q134-K137 PolarHBondContact O-N 2.87Å; Q134-W138 WeakPolarHBondContact O-CB 3.4Å; Q134-W138 PolarHBondContact O-N 2.85Å; Q134-E265 PolarHBondContact NE2-O 3.04Å; Q134-M267 PolarHBondContact NE2-O 3.44Å; Q134-S269 PolarHBondContact OE1-OG 3.07Å; Q134-S269 VanDerWaalsContact OE1-OG 3.13Å
135I97.6Very high95.4Very high28 Ų2841.6 Ų41.614%0.14422%0.215CC..Hα-helixtrans-62.5-49175-67.2166.4000109.4L126 S131 E132 K137 W138 D139 R270L126-I135 HydrophobicContact CG-CG1 4.41Å; S131-I135 WeakPolarHBondContact O-CG1 3.34Å; S131-I135 PolarHBondContact O-N 3.49Å; E132-I135 PolarHBondContact O-N 2.93Å; I135-K137 PolarHBondContact O-N 3.48Å; I135-W138 PolarHBondContact O-N 3.3Å; I135-D139 HydrophobicContact CG2-CB 4.07Å; I135-D139 WeakPolarHBondContact O-CB 3.25Å; I135-D139 PolarHBondContact O-N 3.26Å; I135-R270 VanDerWaalsContact CD1-NH2 3.32Å
136A97.8Very high95.3Very high72 Ų7246.8 Ų46.860%0.59524%0.239SC*.Hα-helixtrans-58.9-32.417800000113.2E132 E133 P140E132-A136 VanDerWaalsContact O-CB 3.31Å; E132-A136 WeakPolarHBondContact O-CB 3.49Å; E132-A136 PolarHBondContact O-N 3.32Å; E133-A136 PolarHBondContact O-N 3.2Å; A136-P140 WeakPolarHBondContact O-CD 3.43Å; A136-P140 WeakPolarHBondContact O-CG 3.39Å
137K97.4Very high95.3Very high91 Ų9147 Ų4740%0.39624%0.24SC..Hα-helixtrans-75.1-53.2175.5179.8178.21771800112.7E133 Q134 I135 L141E133-K137 WeakPolarHBondContact O-CB 3.33Å; E133-K137 PolarHBondContact O-N 3.38Å; Q134-K137 PolarHBondContact O-N 2.87Å; I135-K137 PolarHBondContact O-N 3.48Å; K137-L141 WeakPolarHBondContact O-CD1 3.32Å; K137-L141 WeakPolarHBondContact O-CG 3.5Å
138W97.9Very high95.4Very high17 Ų1746.1 Ų46.16%0.06424%0.238CC..Hα-helixtrans-95-32.3-164.1-64.6112.5000114.3L126 Q134 I135 L141 C142 I147 I221L126-W138 HydrophobicContact CD1-CB 4.11Å; L126-W138 HydrophobicContact CD2-CB 3.65Å; Q134-W138 WeakPolarHBondContact O-CB 3.4Å; Q134-W138 PolarHBondContact O-N 2.85Å; I135-W138 PolarHBondContact O-N 3.3Å; W138-L141 HydrophobicContact CE3-CD1 3.9Å; W138-L141 HydrophobicContact CZ3-CD1 4.22Å; W138-L141 PolarHBondContact O-N 3.46Å; W138-C142 PolarHBondContact O-N 3.39Å; W138-C142 VanDerWaalsContact O-N 3.12Å; W138-C142 PolarHBondContact O-SG 2.94Å; W138-I147 HydrophobicContact CE3-CD1 3.82Å; W138-I147 HydrophobicContact CZ3-CD1 4.23Å; W138-I221 HydrophobicContact CB-CD1 4.42Å; W138-I221 VanDerWaalsContact CD1-CD1 3.41Å; W138-I221 HydrophobicContact CD2-CD1 3.85Å; W138-I221 HydrophobicContact CD2-CG2 4.43Å; W138-I221 HydrophobicContact CE3-CG2 4.4Å; W138-I221 HydrophobicContact CG-CD1 3.68Å; W138-I221 HydrophobicContact CH2-CG2 4.05Å; W138-I221 HydrophobicContact CZ2-CB 4.5Å; W138-I221 HydrophobicContact CZ2-CD1 4.47Å; W138-I221 HydrophobicContact CZ2-CG2 4.06Å; W138-I221 HydrophobicContact CZ3-CG2 4.22Å
139D95.1Very high95.5Very high12 Ų1246.1 Ų46.16%0.06424%0.238CC..Hα-helixtrans-63-43.7-176.6-177.995.1000111.9L126 R127 I135 L141 C142 K143L126-D139 HydrophobicContact CD2-CB 4.05Å; R127-D139 IonicContact CZ-OD1 2.97Å; R127-D139 VanDerWaalsContact CZ-OD1 3.32Å; R127-D139 IonicContact NE-OD1 3.36Å; R127-D139 PolarHBondContact NE-OD1 3.18Å; R127-D139 IonicContact NH2-OD1 3.38Å; R127-D139 PolarHBondContact NH2-OD1 3.07Å; R127-D139 IonicContact NH2-OD2 3.52Å; I135-D139 HydrophobicContact CG2-CB 4.07Å; I135-D139 WeakPolarHBondContact O-CB 3.25Å; I135-D139 PolarHBondContact O-N 3.26Å; D139-L141 VanDerWaalsContact C-N 3.34Å; D139-L141 PolarHBondContact O-N 2.76Å; D139-C142 PolarHBondContact O-N 3.42Å; D139-K143 WeakPolarHBondContact O-CG 3.29Å; D139-K143 PolarHBondContact O-N 3.33Å; D139-K143 IonicContact OD1-NZ 3.9Å; D139-K143 VanDerWaalsContact OD2-CD 3.23Å; D139-K143 WeakPolarHBondContact OD2-CD 3.5Å; D139-K143 WeakPolarHBondContact OD2-CE 3.29Å; D139-K143 IonicContact OD2-NZ 2.75Å; D139-K143 PolarHBondContact OD2-NZ 3.04Å
140P94.8Very high95.6Very high54 Ų5445.8 Ų45.835%0.35124%0.236SC..Hα-helixtrans-63-36.5175.6-23.435.2000113.8A136 C142 K143 N144A136-P140 WeakPolarHBondContact O-CD 3.43Å; A136-P140 WeakPolarHBondContact O-CG 3.39Å; P140-C142 VanDerWaalsContact C-N 3.33Å; P140-K143 PolarHBondContact O-N 2.79Å; P140-N144 WeakPolarHBondContact O-CB 3.46Å; P140-N144 PolarHBondContact O-N 2.96Å; P140-N144 PolarHBondContact O-ND2 2.96Å
141L96.5Very high95.7Very high50 Ų5046.8 Ų46.826%0.26224%0.24SC..Hα-helixtrans-65.5-39.6178.6-56.4178.6000111K137 W138 D139 I145 Q146 I147K137-L141 WeakPolarHBondContact O-CD1 3.32Å; K137-L141 WeakPolarHBondContact O-CG 3.5Å; W138-L141 HydrophobicContact CE3-CD1 3.9Å; W138-L141 HydrophobicContact CZ3-CD1 4.22Å; W138-L141 PolarHBondContact O-N 3.46Å; D139-L141 VanDerWaalsContact C-N 3.34Å; D139-L141 PolarHBondContact O-N 2.76Å; L141-I145 PolarHBondContact O-N 2.95Å; L141-Q146 HydrophobicContact CB-CB 4.45Å; L141-Q146 PolarHBondContact O-N 3.34Å; L141-I147 HydrophobicContact CB-CD1 3.96Å; L141-I147 HydrophobicContact CB-CG1 3.9Å; L141-I147 HydrophobicContact CB-CG2 4.48Å; L141-I147 PolarHBondContact O-N 2.89Å
142C93.4Very high95.8Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-68.6-49.2175.3-660000111.2F122 L123 W138 D139 P140 N144 I145 I147F122-C142 WeakPolarHBondContact CE1-SG 3.46Å; L123-C142 HydrophobicContact CD2-CB 3.46Å; L123-C142 VanDerWaalsContact CD2-CB 3.46Å; L123-C142 HydrophobicContact CG-CB 4.17Å; W138-C142 PolarHBondContact O-N 3.39Å; W138-C142 VanDerWaalsContact O-N 3.12Å; W138-C142 PolarHBondContact O-SG 2.94Å; D139-C142 PolarHBondContact O-N 3.42Å; P140-C142 VanDerWaalsContact C-N 3.33Å; C142-N144 PolarHBondContact O-N 3.08Å; C142-I145 WeakPolarHBondContact O-CD1 3.3Å; C142-I145 PolarHBondContact O-N 3.26Å; C142-I147 VanDerWaalsContact SG-CD1 3.59Å
143K87.6Confident95.9Very high81 Ų8141 Ų4135%0.35221%0.211SC..Hα-helixtrans-57-39.7179.4-78.1176.8171.5160.30112.7E98 D139 P140 I145E98-K143 HydrophobicContact CG-CG 4.46Å; D139-K143 WeakPolarHBondContact O-CG 3.29Å; D139-K143 PolarHBondContact O-N 3.33Å; D139-K143 IonicContact OD1-NZ 3.9Å; D139-K143 VanDerWaalsContact OD2-CD 3.23Å; D139-K143 WeakPolarHBondContact OD2-CD 3.5Å; D139-K143 WeakPolarHBondContact OD2-CE 3.29Å; D139-K143 IonicContact OD2-NZ 2.75Å; D139-K143 PolarHBondContact OD2-NZ 3.04Å; P140-K143 PolarHBondContact O-N 2.79Å; K143-I145 VanDerWaalsContact C-N 3.29Å; K143-I145 PolarHBondContact O-N 2.98Å
144N88.5Confident95.9Very high92 Ų9236.2 Ų36.249%0.49219%0.192SC..THydrogen-bonded Turntrans-86.12179.4-65.3-39.1000113.6P140 C142 Q146P140-N144 WeakPolarHBondContact O-CB 3.46Å; P140-N144 PolarHBondContact O-N 2.96Å; P140-N144 PolarHBondContact O-ND2 2.96Å; C142-N144 PolarHBondContact O-N 3.08Å; N144-Q146 HydrophobicContact CB-CG 4.04Å; N144-Q146 PolarHBondContact O-N 3.43Å; N144-Q146 VanDerWaalsContact O-N 3.11Å
145I90.2Very high96Very high41 Ų4135.9 Ų35.921%0.2119%0.19CC..THydrogen-bonded Turntrans55.131.2-179.4-52-62.5000112.5F85 R88 L141 C142 K143 I148F85-I145 HydrophobicContact CE1-CG2 4Å; R88-I145 VanDerWaalsContact CZ-CG1 3.48Å; R88-I145 VanDerWaalsContact NH1-CG1 3.26Å; L141-I145 PolarHBondContact O-N 2.95Å; C142-I145 WeakPolarHBondContact O-CD1 3.3Å; C142-I145 PolarHBondContact O-N 3.26Å; K143-I145 VanDerWaalsContact C-N 3.29Å; K143-I145 PolarHBondContact O-N 2.98Å; I145-I148 HydrophobicContact CG2-CD1 4.31Å; I145-I148 HydrophobicContact CG2-CG1 3.93Å
146Q95.1Very high96Very high110 Ų11038.1 Ų38.151%0.51420%0.202SC..SBendtrans-72.3-25.4164.7-63.3177.3-6.500110L141 N144L141-Q146 HydrophobicContact CB-CB 4.45Å; L141-Q146 PolarHBondContact O-N 3.34Å; N144-Q146 HydrophobicContact CB-CG 4.04Å; N144-Q146 PolarHBondContact O-N 3.43Å; N144-Q146 VanDerWaalsContact O-N 3.11Å
147I97.1Very high96Very high5 Ų536.8 Ų36.83%0.02620%0.195CC..SBendtrans-132140.6166.467178.4000110.6W138 L141 C142 H201 L227W138-I147 HydrophobicContact CE3-CD1 3.82Å; W138-I147 HydrophobicContact CZ3-CD1 4.23Å; L141-I147 HydrophobicContact CB-CD1 3.96Å; L141-I147 HydrophobicContact CB-CG1 3.9Å; L141-I147 HydrophobicContact CB-CG2 4.48Å; L141-I147 PolarHBondContact O-N 2.89Å; C142-I147 VanDerWaalsContact SG-CD1 3.59Å; I147-H201 WeakPolarHBondContact CG2-CE1 3.49Å; I147-L227 HydrophobicContact CG2-CD1 4.45Å; I147-L227 HydrophobicContact CG2-CD2 4.36Å
148I97.6Very high96Very high21 Ų2134.6 Ų34.611%0.10819%0.186CC..  trans-103.9125.1164.7-61.6166000106.8L116 I145 A199 T200 H201L116-I148 HydrophobicContact CD2-CG2 3.64Å; I145-I148 HydrophobicContact CG2-CD1 4.31Å; I145-I148 HydrophobicContact CG2-CG1 3.93Å; I148-A199 CarbonylContact O-C 3.3Å; I148-T200 PolarHBondContact N-OG1 3.4Å; I148-T200 WeakPolarHBondContact O-CA 3.39Å; I148-T200 PolarHBondContact O-N 2.94Å; I148-T200 PolarHBondContact O-OG1 3.15Å; I148-H201 PolarHBondContact O-N 3.25Å
149A97.9Very high96Very high0 Ų035.6 Ų35.60%020%0.202CC..EExtended strand (participates in β ladder)trans-120.4153.9-17500000112.3H119 F122 H201H119-A149 WeakPolarHBondContact CA-O 3.42Å; H119-A149 WeakPolarHBondContact CB-O 3.33Å; H119-A149 PolarHBondContact ND1-N 3.31Å; H119-A149 VanDerWaalsContact ND1-N 3.11Å; H119-A149 PolarHBondContact ND1-O 2.59Å; F122-A149 HydrophobicContact CB-CB 4.1Å; F122-A149 HydrophobicContact CD1-CB 3.48Å; F122-A149 VanDerWaalsContact CD1-CB 3.48Å; F122-A149 HydrophobicContact CD2-CB 3.52Å; F122-A149 HydrophobicContact CE1-CB 3.73Å; F122-A149 HydrophobicContact CE2-CB 3.73Å; F122-A149 HydrophobicContact CG-CB 3.4Å; F122-A149 HydrophobicContact CZ-CB 3.84Å; A149-H201 CarbonylContact C-O 3.49Å; A149-H201 VanDerWaalsContact CA-O 3.22Å; A149-H201 WeakPolarHBondContact CA-O 3.41Å; A149-H201 HydrophobicContact CB-CB 4.22Å
150T98.5Very high96Very high0 Ų039.1 Ų39.10%022%0.224CC..EExtended strand (participates in β ladder)trans-129.7168.5173.6-176.50000111.4I118 F122 G193 L195 A199 H201 A202 L203I118-T150 VanDerWaalsContact CG2-OG1 3.29Å; I118-T150 WeakPolarHBondContact CG2-OG1 3.06Å; F122-T150 WeakPolarHBondContact CD2-O 3.21Å; T150-G193 WeakPolarHBondContact CB-O 3.37Å; T150-G193 PolarHBondContact OG1-O 3.46Å; T150-L195 HydrophobicContact CG2-CB 4.02Å; T150-L195 HydrophobicContact CG2-CD1 3.88Å; T150-L195 HydrophobicContact CG2-CG 4.5Å; T150-A199 HydrophobicContact CG2-CB 3.77Å; T150-H201 PolarHBondContact N-O 3.2Å; T150-A202 HydrophobicContact CG2-CB 3.92Å; T150-L203 PolarHBondContact O-N 3.05Å
151Y98.4Very high96Very high21 Ų2143.1 Ų43.18%0.08223%0.233CC..EExtended strand (participates in β ladder)trans-106.4104.7177.4-176.5-97.5000110.2V121 A125 Q153 P192 L203 Q205V121-Y151 HydrophobicContact CG1-CD1 4.44Å; V121-Y151 HydrophobicContact CG1-CD2 4.45Å; V121-Y151 HydrophobicContact CG1-CG 4.04Å; A125-Y151 HydrophobicContact CB-CD2 4.01Å; A125-Y151 HydrophobicContact CB-CE2 4.03Å; Y151-Q153 HydrophobicContact CD1-CB 4.1Å; Y151-Q153 HydrophobicContact CE1-CB 3.47Å; Y151-Q153 VanDerWaalsContact CE1-CB 3.47Å; Y151-Q153 HydrophobicContact CE1-CG 4.35Å; Y151-Q153 PolarHBondContact OH-OE1 3.38Å; Y151-P192 WeakPolarHBondContact O-CB 3.35Å; Y151-L203 HydrophobicContact CD2-CB 4.49Å; Y151-L203 HydrophobicContact CD2-CD2 3.91Å; Y151-L203 HydrophobicContact CE2-CD2 4.05Å; Y151-Q205 PolarHBondContact OH-NE2 2.95Å
152A98.4Very high95.9Very high0 Ų041.3 Ų41.30%022%0.223CC..EExtended strand (participates in β ladder)trans-105.282.2-172.300000112.2K189 P192 A202 L203 V204 Q205A152-K189 HydrophobicContact CB-CG 4.29Å; A152-P192 HydrophobicContact CB-CB 4.47Å; A152-P192 HydrophobicContact CB-CG 4.01Å; A152-A202 HydrophobicContact CB-CB 4.11Å; A152-L203 WeakPolarHBondContact CA-O 3.33Å; A152-L203 PolarHBondContact N-O 3.32Å; A152-V204 HydrophobicContact CB-CG2 4.37Å; A152-V204 WeakPolarHBondContact O-CA 3.41Å; A152-Q205 PolarHBondContact O-N 2.92Å
153Q98Very high95.9Very high14 Ų1447.5 Ų47.57%0.06525%0.252CS..  trans-99.7-65.7178.6179.7172.2-88.100112.8Y151 L162 L165 K189 Q205Y151-Q153 HydrophobicContact CD1-CB 4.1Å; Y151-Q153 HydrophobicContact CE1-CB 3.47Å; Y151-Q153 VanDerWaalsContact CE1-CB 3.47Å; Y151-Q153 HydrophobicContact CE1-CG 4.35Å; Y151-Q153 PolarHBondContact OH-OE1 3.38Å; Q153-L162 HydrophobicContact CG-CD2 3.57Å; Q153-L165 WeakPolarHBondContact O-CD2 3.5Å; Q153-K189 PolarHBondContact O-NZ 2.83Å; Q153-Q205 HydrophobicContact CB-CB 4.24Å; Q153-Q205 HydrophobicContact CB-CG 3.71Å; Q153-Q205 HydrophobicContact CG-CB 4.16Å; Q153-Q205 HydrophobicContact CG-CG 3.84Å
154T98.3Very high96.3Very high40 Ų4044.5 Ų44.525%0.24524%0.244CC..  trans-58.5139.7-173.9-56.30000111.7K189 W190T154-K189 CarbonylContact O-C 3.48Å; T154-K189 VanDerWaalsContact O-CA 3.27Å; T154-K189 WeakPolarHBondContact O-CA 3.43Å; T154-W190 VanDerWaalsContact CB-O 3.26Å; T154-W190 WeakPolarHBondContact CB-O 3.47Å; T154-W190 VanDerWaalsContact CG2-O 3.28Å; T154-W190 WeakPolarHBondContact CG2-O 3.13Å; T154-W190 PolarHBondContact O-N 2.9Å
155E98.9Very high96.7Very high4 Ų440.3 Ų40.32%0.01922%0.221CC..BIsolated β-bridgetrans-112163.1173.9-72.8173.2-177.800110.6G157 H158 L165 E166 T167 T186 T188 K189E155-G157 PolarHBondContact O-N 3.11Å; E155-H158 HydrophobicContact CB-CB 4.26Å; E155-H158 PolarHBondContact N-O 3.26Å; E155-H158 CarbonylContact O-C 3.46Å; E155-H158 PolarHBondContact O-N 2.93Å; E155-H158 IonicContact OE2-CD2 2.67Å; E155-L165 HydrophobicContact CB-CD2 4.24Å; E155-L165 HydrophobicContact CG-CD2 3.77Å; E155-L165 WeakPolarHBondContact OE2-CA 3.29Å; E155-E166 PolarHBondContact OE1-N 3.23Å; E155-E166 PolarHBondContact OE2-N 3.09Å; E155-T167 WeakPolarHBondContact OE1-CB 3.46Å; E155-T167 PolarHBondContact OE1-N 3.27Å; E155-T167 PolarHBondContact OE1-OG1 3.29Å; E155-T186 WeakPolarHBondContact CB-O 3.22Å; E155-T188 CarbonylContact C-O 3.46Å; E155-T188 WeakPolarHBondContact CA-O 3.45Å; E155-K189 HydrophobicContact CG-CD 3.75Å; E155-K189 IonicContact OE1-NZ 3.48Å; E155-K189 PolarHBondContact OE1-NZ 3.42Å
156L98.4Very high97.1Very high76 Ų7640.4 Ų40.440%0.39822%0.221SC..SBendtrans-56.7-38.6176.8-175.869.6000111.4L185 T186 T188 W190L156-L185 HydrophobicContact CD2-CD1 4.4Å; L156-L185 HydrophobicContact CD2-CG 3.98Å; L156-T186 PolarHBondContact N-O 2.96Å; L156-T188 PolarHBondContact N-O 3.44Å; L156-W190 HydrophobicContact CB-CB 4.29Å; L156-W190 HydrophobicContact CD1-CD2 3.7Å; L156-W190 HydrophobicContact CD1-CE3 3.73Å; L156-W190 HydrophobicContact CD1-CG 4.09Å; L156-W190 HydrophobicContact CD1-CZ3 4.17Å
157G98.1Very high97.3Very high43 Ų4335.2 Ų35.244%0.44320%0.197SC..SBendtrans-90.2-19176.400000115.3E155 T186E155-G157 PolarHBondContact O-N 3.11Å; G157-T186 PolarHBondContact N-O 3.26Å
158H97.9Very high97.4Very high45 Ų4537.2 Ų37.221%0.20821%0.206CC..  trans-140.1111.5-167.4-66.1-79.8000113E155 G164 L165 E166E155-H158 HydrophobicContact CB-CB 4.26Å; E155-H158 PolarHBondContact N-O 3.26Å; E155-H158 CarbonylContact O-C 3.46Å; E155-H158 PolarHBondContact O-N 2.93Å; E155-H158 IonicContact OE2-CD2 2.67Å; H158-G164 PolarHBondContact CD2-O 3.49Å; H158-G164 VanDerWaalsContact CD2-O 3.31Å; H158-G164 PolarHBondContact CE1-O 3.05Å; H158-G164 PolarHBondContact NE2-O 2.97Å; H158-L165 HydrophobicContact CB-CD2 3.99Å; H158-E166 IonicContact CD2-OE1 3.65Å; H158-E166 PolarHBondContact CD2-OE1 3.39Å; H158-E166 IonicContact NE2-OE1 3.48Å; H158-E166 PolarHBondContact NE2-OE1 3.29Å
159G96.5Very high97.4Very high38 Ų3836.2 Ų36.239%0.39220%0.201SC..SBendtrans-114-56.4168.200000112.7L162G159-L162 WeakPolarHBondContact O-CD2 3.42Å
160T95.9Very high97.4Very high86 Ų8639 Ų3953%0.52822%0.218SC..SBendtrans-75.4-47-177.4-59.20000112.8L162 V442T160-L162 PolarHBondContact O-N 3.06Å; T160-V442 HydrophobicContact CG2-CB 4.09Å; T160-V442 HydrophobicContact CG2-CG1 3.62Å; T160-V442 HydrophobicContact CG2-CG2 3.71Å
161Y95.4Very high97.4Very high138 Ų13840 Ų4054%0.54122%0.222SC..  trans-86.476.8-174.9-176.9-125.4000111Q163 G164Y161-Q163 HydrophobicContact CD2-CB 4.32Å; Y161-Q163 HydrophobicContact CE2-CB 3.68Å; Y161-Q163 HydrophobicContact CE2-CG 4.49Å; Y161-Q163 PolarHBondContact O-N 3.46Å; Y161-G164 VanDerWaalsContact CD1-CA 3.48Å; Y161-G164 VanDerWaalsContact CE1-CA 3.41Å; Y161-G164 WeakPolarHBondContact O-CA 3.45Å; Y161-G164 PolarHBondContact O-N 2.72Å
162L93.5Very high97.4Very high12 Ų1241.3 Ų41.36%0.06323%0.23CC..G310 helixtrans-65-23.9-175.3-65.1176.8000114.2Q153 G159 T160 G164 L165 M217 Y290 M293Q153-L162 HydrophobicContact CG-CD2 3.57Å; G159-L162 WeakPolarHBondContact O-CD2 3.42Å; T160-L162 PolarHBondContact O-N 3.06Å; L162-G164 PolarHBondContact O-N 3.02Å; L162-L165 HydrophobicContact CD2-CD1 4.22Å; L162-L165 HydrophobicContact CD2-CD2 4.44Å; L162-L165 HydrophobicContact CD2-CG 4.4Å; L162-L165 WeakPolarHBondContact O-CG 3.48Å; L162-L165 PolarHBondContact O-N 2.81Å; L162-M217 HydrophobicContact CB-SD 4.11Å; L162-M217 HydrophobicContact CD1-SD 4.5Å; L162-Y290 HydrophobicContact CB-CE1 3.98Å; L162-Y290 HydrophobicContact CD1-CD1 3.81Å; L162-Y290 HydrophobicContact CD1-CE1 3.48Å; L162-Y290 VanDerWaalsContact CD1-CE1 3.48Å; L162-Y290 HydrophobicContact CG-CE1 4.35Å; L162-M293 HydrophobicContact CD1-CE 4.35Å; L162-M293 HydrophobicContact CD1-SD 3.77Å
163Q93.1Very high97.3Very high131 Ų13143.7 Ų43.761%0.61225%0.25SS*.G310 helixtrans-67.9-21.7171.3-67.9-179.6-1300112.5Y161 Q207Y161-Q163 HydrophobicContact CD2-CB 4.32Å; Y161-Q163 HydrophobicContact CE2-CB 3.68Å; Y161-Q163 HydrophobicContact CE2-CG 4.49Å; Y161-Q163 PolarHBondContact O-N 3.46Å; Q163-Q207 PolarHBondContact O-NE2 3.24Å
164G95.9Very high97.3Very high17 Ų1747.5 Ų47.518%0.17528%0.284CS..G310 helixtrans-91.52.5178.200000114.9H158 Y161 L162 E166H158-G164 PolarHBondContact CD2-O 3.49Å; H158-G164 VanDerWaalsContact CD2-O 3.31Å; H158-G164 PolarHBondContact CE1-O 3.05Å; H158-G164 PolarHBondContact NE2-O 2.97Å; Y161-G164 VanDerWaalsContact CD1-CA 3.48Å; Y161-G164 VanDerWaalsContact CE1-CA 3.41Å; Y161-G164 WeakPolarHBondContact O-CA 3.45Å; Y161-G164 PolarHBondContact O-N 2.72Å; L162-G164 PolarHBondContact O-N 3.02Å; G164-E166 PolarHBondContact O-N 3.48Å
165L97.8Very high97.2Very high4 Ų448.6 Ų48.62%0.02129%0.291CS..  trans-50.3136.1174.3-69.8174000110.1Q153 E155 H158 L162 Q205 Q207 M217Q153-L165 WeakPolarHBondContact O-CD2 3.5Å; E155-L165 HydrophobicContact CB-CD2 4.24Å; E155-L165 HydrophobicContact CG-CD2 3.77Å; E155-L165 WeakPolarHBondContact OE2-CA 3.29Å; H158-L165 HydrophobicContact CB-CD2 3.99Å; L162-L165 HydrophobicContact CD2-CD1 4.22Å; L162-L165 HydrophobicContact CD2-CD2 4.44Å; L162-L165 HydrophobicContact CD2-CG 4.4Å; L162-L165 WeakPolarHBondContact O-CG 3.48Å; L162-L165 PolarHBondContact O-N 2.81Å; L165-Q205 HydrophobicContact CD1-CB 4.07Å; L165-Q207 WeakPolarHBondContact O-CG 3.3Å; L165-Q207 PolarHBondContact O-NE2 2.97Å; L165-M217 HydrophobicContact CD1-CG 3.93Å; L165-M217 HydrophobicContact CD1-SD 3.64Å
166E98.6Very high97.2Very high44 Ų4452.6 Ų52.621%0.20631%0.309CS..  trans-99.5-22.3-172.3-65176.3-10700112.4E155 H158 G164 E168 P183 T184 T186 A187E155-E166 PolarHBondContact OE1-N 3.23Å; E155-E166 PolarHBondContact OE2-N 3.09Å; H158-E166 IonicContact CD2-OE1 3.65Å; H158-E166 PolarHBondContact CD2-OE1 3.39Å; H158-E166 IonicContact NE2-OE1 3.48Å; H158-E166 PolarHBondContact NE2-OE1 3.29Å; G164-E166 PolarHBondContact O-N 3.48Å; E166-E168 WeakPolarHBondContact O-CG 3.12Å; E166-E168 PolarHBondContact O-N 3.39Å; E166-P183 HydrophobicContact CB-CG 4.47Å; E166-P183 VanDerWaalsContact O-CD 3.25Å; E166-P183 WeakPolarHBondContact O-CD 3.4Å; E166-P183 WeakPolarHBondContact O-CG 3.43Å; E166-T184 WeakPolarHBondContact OE2-CG2 3.49Å; E166-T184 PolarHBondContact OE2-OG1 2.92Å; E166-T186 WeakPolarHBondContact OE1-CB 3.49Å; E166-T186 PolarHBondContact OE1-OG1 3.45Å; E166-T186 PolarHBondContact OE2-OG1 3.02Å; E166-A187 HydrophobicContact CB-CB 3.51Å
167T98.8Very high97.2Very high0 Ų051.4 Ų51.40%030%0.302CS..  trans-59.9126.3173.5-57.30000109.3E155 I180 H181 A187 K189 V204 A206 Q207 L257E155-T167 WeakPolarHBondContact OE1-CB 3.46Å; E155-T167 PolarHBondContact OE1-N 3.27Å; E155-T167 PolarHBondContact OE1-OG1 3.29Å; T167-I180 HydrophobicContact CG2-CG2 3.93Å; T167-H181 WeakPolarHBondContact CA-O 3.11Å; T167-A187 PolarHBondContact OG1-O 2.59Å; T167-A187 VanDerWaalsContact OG1-O 3.12Å; T167-K189 WeakPolarHBondContact OG1-CE 3.47Å; T167-K189 PolarHBondContact OG1-NZ 3.42Å; T167-V204 HydrophobicContact CG2-CG1 4.12Å; T167-A206 HydrophobicContact CG2-CB 3.83Å; T167-A206 CarbonylContact O-C 3.57Å; T167-A206 VanDerWaalsContact O-CA 3.31Å; T167-A206 WeakPolarHBondContact O-CA 3.42Å; T167-A206 WeakPolarHBondContact O-CB 3.4Å; T167-Q207 PolarHBondContact O-N 3.12Å; T167-L257 HydrophobicContact CG2-CD1 4.47Å
168E98.4Very high97.2Very high47 Ų4749.4 Ų49.422%0.2228%0.281CS..EExtended strand (participates in β ladder)trans-107.6148.4-179.1-58.4-169.814600111E166 I180 H181 R214E166-E168 WeakPolarHBondContact O-CG 3.12Å; E166-E168 PolarHBondContact O-N 3.39Å; E168-I180 CarbonylContact O-C 3.38Å; E168-I180 VanDerWaalsContact O-CA 3.26Å; E168-I180 WeakPolarHBondContact O-CA 3.49Å; E168-H181 PolarHBondContact N-O 3.33Å; E168-H181 PolarHBondContact O-N 3.23Å; E168-R214 IonicContact OE1-CZ 2.85Å; E168-R214 IonicContact OE1-NE 3.11Å; E168-R214 IonicContact OE1-NH2 3.88Å; E168-R214 PolarHBondContact OE1-NH2 2.82Å
169A98.6Very high97.3Very high0 Ų048.5 Ų48.50%028%0.279CS..EExtended strand (participates in β ladder)trans-127.598.1170.200000108.8V179 I180 A206 Q207 V209 F220A169-V179 WeakPolarHBondContact CA-O 3.45Å; A169-I180 HydrophobicContact CB-CG1 4.06Å; A169-A206 HydrophobicContact CB-CB 3.92Å; A169-Q207 PolarHBondContact N-O 3.34Å; A169-V209 PolarHBondContact O-N 3.12Å; A169-F220 HydrophobicContact CB-CD1 4.32Å; A169-F220 HydrophobicContact CB-CD2 3.98Å; A169-F220 HydrophobicContact CB-CE1 3.84Å; A169-F220 HydrophobicContact CB-CE2 3.46Å; A169-F220 VanDerWaalsContact CB-CE2 3.46Å; A169-F220 HydrophobicContact CB-CG 4.39Å; A169-F220 HydrophobicContact CB-CZ 3.39Å
170T98.5Very high97.4Very high58 Ų5846.7 Ų46.736%0.35626%0.26SS..EExtended strand (participates in β ladder)trans-93.9123.7-176-59.70000110.6F178 V179 V209T170-F178 WeakPolarHBondContact O-CA 3.17Å; T170-V179 PolarHBondContact N-O 2.93Å; T170-V179 PolarHBondContact O-N 3.36Å; T170-V209 WeakPolarHBondContact CA-O 3.12Å; T170-V209 HydrophobicContact CG2-CB 4.36Å; T170-V209 HydrophobicContact CG2-CG1 4.39Å
171Y98.6Very high97.5Very high21 Ų2144.3 Ų44.38%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-76.8126.1179.1-173.1-112.6000111.7A173 F178 V209 R264 V274 L275 P276Y171-A173 HydrophobicContact CD1-CB 4.41Å; Y171-A173 HydrophobicContact CE1-CB 3.85Å; Y171-F178 AromaticContact CD2-CD1 3.87Å; Y171-F178 HydrophobicContact CD2-CD1 3.87Å; Y171-F178 AromaticContact CD2-CE1 3.52Å; Y171-F178 HydrophobicContact CD2-CE1 3.52Å; Y171-F178 HydrophobicContact CD2-CE2 4.26Å; Y171-F178 HydrophobicContact CD2-CG 4.38Å; Y171-F178 AromaticContact CD2-CZ 3.74Å; Y171-F178 HydrophobicContact CD2-CZ 3.74Å; Y171-F178 HydrophobicContact CE2-CZ 4.4Å; Y171-F178 HydrophobicContact CG-CD1 4.4Å; Y171-F178 AromaticContact CG-CE1 3.99Å; Y171-F178 HydrophobicContact CG-CE1 3.99Å; Y171-V209 PolarHBondContact N-O 3.42Å; Y171-R264 HydrophobicContact CE2-CB 4.08Å; Y171-R264 HydrophobicContact CE2-CG 3.78Å; Y171-R264 WeakPolarHBondContact OH-CD 3.39Å; Y171-V274 HydrophobicContact CD1-CG1 3.81Å; Y171-V274 HydrophobicContact CD2-CG1 3.98Å; Y171-V274 HydrophobicContact CE1-CG1 3.93Å; Y171-V274 HydrophobicContact CE2-CG1 4.09Å; Y171-V274 HydrophobicContact CG-CG1 3.83Å; Y171-L275 PolarHBondContact OH-O 2.75Å; Y171-P276 WeakPolarHBondContact OH-CA 3.42Å; Y171-P276 PolarHBondContact OH-O 3.19Å
172D98Very high97.7Very high49 Ų4938.3 Ų38.326%0.26222%0.221SC..EExtended strand (participates in β ladder)trans-104.8108.4169.5-177.5-1.8000109.9A174 T175 Q176 E177 R261D172-A174 VanDerWaalsContact C-N 3.3Å; D172-A174 PolarHBondContact O-N 3.32Å; D172-A174 WeakPolarHBondContact OD1-CB 3.26Å; D172-A174 PolarHBondContact OD1-N 3.06Å; D172-T175 PolarHBondContact OD2-OG1 3.36Å; D172-Q176 VanDerWaalsContact O-CA 3.32Å; D172-Q176 WeakPolarHBondContact O-CA 3.5Å; D172-Q176 PolarHBondContact O-N 3.41Å; D172-E177 PolarHBondContact N-O 3.49Å; D172-E177 PolarHBondContact O-N 3.09Å; D172-R261 IonicContact OD2-CZ 2.78Å; D172-R261 IonicContact OD2-NH1 2.58Å; D172-R261 IonicContact OD2-NH2 2.65Å; D172-R261 PolarHBondContact OD2-NH2 3.39Å
173A96.2Very high97.9Very high51 Ų5140.6 Ų40.642%0.42124%0.237SC..THydrogen-bonded Turntrans-69.4-25.6179.900000113.2Y171 T175Y171-A173 HydrophobicContact CD1-CB 4.41Å; Y171-A173 HydrophobicContact CE1-CB 3.85Å; A173-T175 VanDerWaalsContact C-N 3.32Å; A173-T175 PolarHBondContact O-N 2.84Å
174A96.9Very high98.1Very high93 Ų9337.1 Ų37.177%0.76922%0.224SC*.THydrogen-bonded Turntrans-68.5-35.4-177.700000111.7D172D172-A174 VanDerWaalsContact C-N 3.3Å; D172-A174 PolarHBondContact O-N 3.32Å; D172-A174 WeakPolarHBondContact OD1-CB 3.26Å; D172-A174 PolarHBondContact OD1-N 3.06Å
175T97.8Very high98.3Very high63 Ų6342 Ų4239%0.38725%0.246SC..THydrogen-bonded Turntrans-108.1-6.3179.464.70000113.5D172 A173 E177 R261D172-T175 PolarHBondContact OD2-OG1 3.36Å; A173-T175 VanDerWaalsContact C-N 3.32Å; A173-T175 PolarHBondContact O-N 2.84Å; T175-E177 VanDerWaalsContact C-N 3.33Å; T175-E177 PolarHBondContact OG1-OE2 2.95Å; T175-R261 VanDerWaalsContact CG2-NH1 3.34Å; T175-R261 PolarHBondContact OG1-NH1 3.34Å
176Q98.1Very high98.3Very high89 Ų8944.6 Ų44.642%0.41626%0.262SS..THydrogen-bonded Turntrans54.847.2-172.5-56.7-177.143.200112.3D172 R264D172-Q176 VanDerWaalsContact O-CA 3.32Å; D172-Q176 WeakPolarHBondContact O-CA 3.5Å; D172-Q176 PolarHBondContact O-N 3.41Å; Q176-R264 HydrophobicContact CB-CB 4.49Å; Q176-R264 VanDerWaalsContact O-CB 3.31Å; Q176-R264 WeakPolarHBondContact O-CB 3.42Å; Q176-R264 PolarHBondContact O-N 3.09Å
177E98.6Very high98.3Very high51 Ų5142.5 Ų42.524%0.23825%0.252CS..EExtended strand (participates in β ladder)trans-128.4156.9-179.3-67-179.9120.900111.1D172 T175 R261 V262D172-E177 PolarHBondContact N-O 3.49Å; D172-E177 PolarHBondContact O-N 3.09Å; T175-E177 VanDerWaalsContact C-N 3.33Å; T175-E177 PolarHBondContact OG1-OE2 2.95Å; E177-R261 IonicContact OE2-CZ 3.22Å; E177-R261 IonicContact OE2-NE 3.94Å; E177-R261 IonicContact OE2-NH1 3.74Å; E177-R261 PolarHBondContact OE2-NH1 3.13Å; E177-V262 CarbonylContact C-O 3.55Å; E177-V262 VanDerWaalsContact CA-O 3.22Å; E177-V262 WeakPolarHBondContact CA-O 3.49Å; E177-V262 WeakPolarHBondContact CB-O 3.37Å
178F98.8Very high98.3Very high0 Ų042.6 Ų42.60%025%0.253CS..EExtended strand (participates in β ladder)trans-97.5130.9164.8-66-77.3000109.6T170 Y171 I180 L208 F220 R261 V262 R264 M267 V274T170-F178 WeakPolarHBondContact O-CA 3.17Å; Y171-F178 AromaticContact CD2-CD1 3.87Å; Y171-F178 HydrophobicContact CD2-CD1 3.87Å; Y171-F178 AromaticContact CD2-CE1 3.52Å; Y171-F178 HydrophobicContact CD2-CE1 3.52Å; Y171-F178 HydrophobicContact CD2-CE2 4.26Å; Y171-F178 HydrophobicContact CD2-CG 4.38Å; Y171-F178 AromaticContact CD2-CZ 3.74Å; Y171-F178 HydrophobicContact CD2-CZ 3.74Å; Y171-F178 HydrophobicContact CE2-CZ 4.4Å; Y171-F178 HydrophobicContact CG-CD1 4.4Å; Y171-F178 AromaticContact CG-CE1 3.99Å; Y171-F178 HydrophobicContact CG-CE1 3.99Å; F178-I180 HydrophobicContact CB-CG1 4.41Å; F178-L208 HydrophobicContact CD1-CD1 4.12Å; F178-L208 HydrophobicContact CE1-CD1 3.47Å; F178-L208 VanDerWaalsContact CE1-CD1 3.47Å; F178-L208 HydrophobicContact CZ-CD1 4.34Å; F178-F220 HydrophobicContact CB-CD1 4.37Å; F178-F220 HydrophobicContact CB-CE1 4.3Å; F178-F220 AromaticContact CD1-CE1 3.72Å; F178-F220 HydrophobicContact CD1-CE1 3.72Å; F178-F220 HydrophobicContact CD1-CZ 4.43Å; F178-F220 AromaticContact CD2-CD1 3.95Å; F178-F220 HydrophobicContact CD2-CD1 3.95Å; F178-F220 AromaticContact CD2-CE1 3.74Å; F178-F220 HydrophobicContact CD2-CE1 3.74Å; F178-F220 AromaticContact CE1-CE1 3.89Å; F178-F220 HydrophobicContact CE1-CE1 3.89Å; F178-F220 HydrophobicContact CE2-CD1 4.36Å; F178-F220 AromaticContact CE2-CE1 3.9Å; F178-F220 HydrophobicContact CE2-CE1 3.9Å; F178-F220 HydrophobicContact CG-CD1 4.04Å; F178-F220 AromaticContact CG-CE1 3.64Å; F178-F220 HydrophobicContact CG-CE1 3.64Å; F178-F220 AromaticContact CZ-CE1 3.98Å; F178-F220 HydrophobicContact CZ-CE1 3.98Å; F178-R261 WeakPolarHBondContact O-CA 3.5Å; F178-V262 HydrophobicContact CB-CG2 3.93Å; F178-V262 PolarHBondContact N-O 3.2Å; F178-V262 PolarHBondContact O-N 3.28Å; F178-R264 HydrophobicContact CE2-CB 4.43Å; F178-R264 HydrophobicContact CE2-CG 4.23Å; F178-R264 WeakPolarHBondContact CE2-O 3.42Å; F178-M267 HydrophobicContact CD2-CB 4.24Å; F178-M267 HydrophobicContact CE1-SD 4.26Å; F178-M267 HydrophobicContact CE2-CB 3.5Å; F178-M267 HydrophobicContact CE2-CG 4.39Å; F178-M267 HydrophobicContact CE2-SD 4.16Å; F178-M267 HydrophobicContact CZ-CB 3.94Å; F178-M267 HydrophobicContact CZ-CG 4.36Å; F178-M267 HydrophobicContact CZ-SD 3.57Å; F178-M267 VanDerWaalsContact CZ-SD 3.57Å; F178-V274 HydrophobicContact CE1-CG2 4.36Å; F178-V274 HydrophobicContact CZ-CB 4.08Å; F178-V274 HydrophobicContact CZ-CG1 4.44Å; F178-V274 HydrophobicContact CZ-CG2 4.05Å
179V98.8Very high98.3Very high27 Ų2740.4 Ų40.416%0.16424%0.242CC..EExtended strand (participates in β ladder)trans-95.6110.6170.8-172.30000108.1A169 T170 Y259 R261A169-V179 WeakPolarHBondContact CA-O 3.45Å; T170-V179 PolarHBondContact N-O 2.93Å; T170-V179 PolarHBondContact O-N 3.36Å; V179-Y259 HydrophobicContact CG1-CD1 3.81Å; V179-Y259 HydrophobicContact CG1-CG 4.36Å; V179-R261 HydrophobicContact CG2-CG 4.37Å
180I98.8Very high98.3Very high0 Ų043.6 Ų43.60%026%0.255CS..EExtended strand (participates in β ladder)trans-102.4127.8-174.9-52.3176.6000110T167 E168 A169 F178 V204 F220 V222 L257 Y259 V260 V262T167-I180 HydrophobicContact CG2-CG2 3.93Å; E168-I180 CarbonylContact O-C 3.38Å; E168-I180 VanDerWaalsContact O-CA 3.26Å; E168-I180 WeakPolarHBondContact O-CA 3.49Å; A169-I180 HydrophobicContact CB-CG1 4.06Å; F178-I180 HydrophobicContact CB-CG1 4.41Å; I180-V204 HydrophobicContact CG2-CG1 4.46Å; I180-F220 HydrophobicContact CD1-CB 3.81Å; I180-F220 HydrophobicContact CD1-CG 4.17Å; I180-V222 HydrophobicContact CD1-CG2 3.42Å; I180-V222 VanDerWaalsContact CD1-CG2 3.42Å; I180-L257 HydrophobicContact CB-CD1 4.47Å; I180-L257 HydrophobicContact CG2-CB 4.46Å; I180-L257 HydrophobicContact CG2-CD1 3.52Å; I180-Y259 CarbonylContact O-C 3.55Å; I180-Y259 WeakPolarHBondContact O-CA 3.49Å; I180-Y259 PolarHBondContact O-N 3.31Å; I180-V260 PolarHBondContact N-O 3.06Å; I180-V260 PolarHBondContact O-N 2.89Å; I180-V262 HydrophobicContact CD1-CG1 4.38Å; I180-V262 HydrophobicContact CD1-CG2 3.7Å; I180-V262 HydrophobicContact CG1-CG2 4.38Å
181H98.8Very high98.3Very high35 Ų3547.2 Ų47.216%0.16226%0.262CS..EExtended strand (participates in β ladder)trans-143.2138.9-174.2-175.744.7000112.8T167 E168 P183 L257 Y259T167-H181 WeakPolarHBondContact CA-O 3.11Å; E168-H181 PolarHBondContact N-O 3.33Å; E168-H181 PolarHBondContact O-N 3.23Å; H181-P183 VanDerWaalsContact O-CD 3.31Å; H181-P183 WeakPolarHBondContact O-CD 3.44Å; H181-L257 CarbonylContact C-O 3.55Å; H181-L257 WeakPolarHBondContact CA-O 3.39Å; H181-L257 PolarHBondContact ND1-O 3Å; H181-Y259 HydrophobicContact CB-CD1 4.21Å; H181-Y259 HydrophobicContact CB-CE1 4.35Å; H181-Y259 AromaticContact CD2-CE1 3.85Å; H181-Y259 AromaticContact CD2-CZ 3.74Å; H181-Y259 AromaticContact CE1-CE2 3.89Å; H181-Y259 AromaticContact NE2-CE2 3.94Å; H181-Y259 AromaticContact NE2-CZ 3.71Å
182S98.7Very high98.3Very high12 Ų1246.7 Ų46.78%0.08426%0.261CS..  trans-95.297.9166.3-59.80000108.6T184 L257S182-T184 VanDerWaalsContact C-N 3.28Å; S182-T184 PolarHBondContact O-N 3.41Å; S182-L257 PolarHBondContact N-O 2.89Å; S182-L257 PolarHBondContact OG-N 3.18Å
183P98.1Very high98.3Very high61 Ų6144.5 Ų44.540%0.39625%0.25SS..  trans-71.5-19.9-170.628.2-37.1000114.4E166 H181 A187E166-P183 HydrophobicContact CB-CG 4.47Å; E166-P183 VanDerWaalsContact O-CD 3.25Å; E166-P183 WeakPolarHBondContact O-CD 3.4Å; E166-P183 WeakPolarHBondContact O-CG 3.43Å; H181-P183 VanDerWaalsContact O-CD 3.31Å; H181-P183 WeakPolarHBondContact O-CD 3.44Å; P183-A187 HydrophobicContact CG-CB 4.29Å
184T98.3Very high98.4Very high58 Ų5842.1 Ų42.136%0.35623%0.23SC..SBendtrans-135.7166.2-174.2630000110.1E166 S182 T186 A187E166-T184 WeakPolarHBondContact OE2-CG2 3.49Å; E166-T184 PolarHBondContact OE2-OG1 2.92Å; S182-T184 VanDerWaalsContact C-N 3.28Å; S182-T184 PolarHBondContact O-N 3.41Å; T184-T186 PolarHBondContact O-N 3.14Å; T184-T186 PolarHBondContact OG1-N 3.5Å; T184-T186 PolarHBondContact OG1-OG1 3.28Å; T184-A187 WeakPolarHBondContact O-CB 3.46Å; T184-A187 PolarHBondContact O-N 3.06Å; T184-A187 WeakPolarHBondContact OG1-CB 3.49Å; T184-A187 PolarHBondContact OG1-N 3.05Å
185L98.3Very high98.4Very high119 Ų11937.7 Ų37.762%0.62319%0.193SC*.SBendtrans-60.5-38.2169.7179.662.2000111.2L156 A187 T188L156-L185 HydrophobicContact CD2-CD1 4.4Å; L156-L185 HydrophobicContact CD2-CG 3.98Å; L185-A187 VanDerWaalsContact C-N 3.26Å; L185-A187 PolarHBondContact O-N 3.48Å; L185-T188 WeakPolarHBondContact O-CB 3.37Å; L185-T188 PolarHBondContact O-N 3.2Å; L185-T188 VanDerWaalsContact O-N 3.09Å; L185-T188 PolarHBondContact O-OG1 3.47Å
186T98.6Very high98.4Very high58 Ų5834.8 Ų34.836%0.35618%0.176SC..THydrogen-bonded Turntrans-68.2-24.8-179.748.80000112.7E155 L156 G157 E166 T184 T188E155-T186 WeakPolarHBondContact CB-O 3.22Å; L156-T186 PolarHBondContact N-O 2.96Å; G157-T186 PolarHBondContact N-O 3.26Å; E166-T186 WeakPolarHBondContact OE1-CB 3.49Å; E166-T186 PolarHBondContact OE1-OG1 3.45Å; E166-T186 PolarHBondContact OE2-OG1 3.02Å; T184-T186 PolarHBondContact O-N 3.14Å; T184-T186 PolarHBondContact OG1-N 3.5Å; T184-T186 PolarHBondContact OG1-OG1 3.28Å; T186-T188 PolarHBondContact O-N 3.44Å
187A98.7Very high98.4Very high0 Ų034.8 Ų34.80%017%0.173CC..THydrogen-bonded Turntrans-72.3-6.8171.300000114.7E166 T167 P183 T184 L185 K189E166-A187 HydrophobicContact CB-CB 3.51Å; T167-A187 PolarHBondContact OG1-O 2.59Å; T167-A187 VanDerWaalsContact OG1-O 3.12Å; P183-A187 HydrophobicContact CG-CB 4.29Å; T184-A187 WeakPolarHBondContact O-CB 3.46Å; T184-A187 PolarHBondContact O-N 3.06Å; T184-A187 WeakPolarHBondContact OG1-CB 3.49Å; T184-A187 PolarHBondContact OG1-N 3.05Å; L185-A187 VanDerWaalsContact C-N 3.26Å; L185-A187 PolarHBondContact O-N 3.48Å; A187-K189 PolarHBondContact O-N 3.35Å
188T98.8Very high98.3Very high3 Ų332.5 Ų32.52%0.01816%0.162CC..SBendtrans-58.5123.2176.1-58.50000109E155 L156 L185 T186 W190 F254 Q256E155-T188 CarbonylContact C-O 3.46Å; E155-T188 WeakPolarHBondContact CA-O 3.45Å; L156-T188 PolarHBondContact N-O 3.44Å; L185-T188 WeakPolarHBondContact O-CB 3.37Å; L185-T188 PolarHBondContact O-N 3.2Å; L185-T188 VanDerWaalsContact O-N 3.09Å; L185-T188 PolarHBondContact O-OG1 3.47Å; T186-T188 PolarHBondContact O-N 3.44Å; T188-W190 HydrophobicContact CG2-CE3 4.46Å; T188-W190 PolarHBondContact O-N 3.13Å; T188-F254 HydrophobicContact CG2-CB 3.91Å; T188-Q256 HydrophobicContact CG2-CG 3.65Å; T188-Q256 VanDerWaalsContact OG1-CG 3.29Å; T188-Q256 WeakPolarHBondContact OG1-CG 3.48Å; T188-Q256 PolarHBondContact OG1-NE2 2.95Å
189K98.9Very high98.3Very high0 Ų032.5 Ų32.50%016%0.162CC..EExtended strand (participates in β ladder)trans-59.8136170.9-62-58.5-179.6-164.30108.9A152 Q153 T154 E155 T167 A187 Q205 F254 L255A152-K189 HydrophobicContact CB-CG 4.29Å; Q153-K189 PolarHBondContact O-NZ 2.83Å; T154-K189 CarbonylContact O-C 3.48Å; T154-K189 VanDerWaalsContact O-CA 3.27Å; T154-K189 WeakPolarHBondContact O-CA 3.43Å; E155-K189 HydrophobicContact CG-CD 3.75Å; E155-K189 IonicContact OE1-NZ 3.48Å; E155-K189 PolarHBondContact OE1-NZ 3.42Å; T167-K189 WeakPolarHBondContact OG1-CE 3.47Å; T167-K189 PolarHBondContact OG1-NZ 3.42Å; A187-K189 PolarHBondContact O-N 3.35Å; K189-Q205 VanDerWaalsContact CE-O 3.28Å; K189-Q205 WeakPolarHBondContact CE-O 3.49Å; K189-Q205 PolarHBondContact NZ-O 3.36Å; K189-F254 CarbonylContact O-C 3.39Å; K189-F254 WeakPolarHBondContact O-CA 3.41Å; K189-L255 HydrophobicContact CB-CB 4.06Å; K189-L255 PolarHBondContact N-O 2.95Å; K189-L255 PolarHBondContact O-N 3.21Å
190W98.8Very high98.3Very high68 Ų6831.7 Ų31.726%0.25816%0.157SC..EExtended strand (participates in β ladder)trans-149.3134-171.7-166.8-77.3000110.7T154 L156 T188 P192 I241 F254T154-W190 VanDerWaalsContact CB-O 3.26Å; T154-W190 WeakPolarHBondContact CB-O 3.47Å; T154-W190 VanDerWaalsContact CG2-O 3.28Å; T154-W190 WeakPolarHBondContact CG2-O 3.13Å; T154-W190 PolarHBondContact O-N 2.9Å; L156-W190 HydrophobicContact CB-CB 4.29Å; L156-W190 HydrophobicContact CD1-CD2 3.7Å; L156-W190 HydrophobicContact CD1-CE3 3.73Å; L156-W190 HydrophobicContact CD1-CG 4.09Å; L156-W190 HydrophobicContact CD1-CZ3 4.17Å; T188-W190 HydrophobicContact CG2-CE3 4.46Å; T188-W190 PolarHBondContact O-N 3.13Å; W190-P192 VanDerWaalsContact O-CD 3.29Å; W190-P192 WeakPolarHBondContact O-CD 3.49Å; W190-I241 HydrophobicContact CD2-CG2 3.95Å; W190-I241 HydrophobicContact CE3-CG2 4.32Å; W190-I241 HydrophobicContact CG-CG2 4.47Å; W190-I241 HydrophobicContact CH2-CB 4.34Å; W190-I241 HydrophobicContact CH2-CG2 4.21Å; W190-I241 HydrophobicContact CZ2-CB 3.77Å; W190-I241 HydrophobicContact CZ2-CG2 3.82Å; W190-I241 HydrophobicContact CZ3-CG2 4.44Å; W190-F254 HydrophobicContact CD2-CB 4.46Å; W190-F254 HydrophobicContact CE3-CB 3.66Å; W190-F254 HydrophobicContact CZ3-CB 3.96Å; W190-F254 HydrophobicContact CZ3-CD1 4.43Å; W190-F254 HydrophobicContact CZ3-CG 4.41Å
191W98.4Very high98.3Very high134 Ų13432.3 Ų32.351%0.50816%0.16SC..  trans90-19.8-172.7-61.7112.9000119.7G193 I241 K244 N252 G253W191-G193 PolarHBondContact O-N 2.77Å; W191-I241 HydrophobicContact CD2-CD1 3.84Å; W191-I241 HydrophobicContact CE3-CD1 3.22Å; W191-I241 HydrophobicContact CH2-CD1 3.96Å; W191-I241 HydrophobicContact CZ2-CD1 4.49Å; W191-I241 HydrophobicContact CZ3-CD1 3.3Å; W191-K244 HydrophobicContact CZ3-CD 4Å; W191-K244 HydrophobicContact CZ3-CG 4.19Å; W191-N252 PolarHBondContact O-ND2 3.36Å; W191-G253 PolarHBondContact N-O 3.18Å
192P98.4Very high98.3Very high10 Ų1030.7 Ų30.77%0.06515%0.153CC..  trans-52.3120.8179.9-30.136.2000112Y151 A152 W190 L195 N252 G253Y151-P192 WeakPolarHBondContact O-CB 3.35Å; A152-P192 HydrophobicContact CB-CB 4.47Å; A152-P192 HydrophobicContact CB-CG 4.01Å; W190-P192 VanDerWaalsContact O-CD 3.29Å; W190-P192 WeakPolarHBondContact O-CD 3.49Å; P192-L195 HydrophobicContact CB-CB 3.93Å; P192-L195 HydrophobicContact CB-CD2 3.72Å; P192-L195 HydrophobicContact CB-CG 4.44Å; P192-L195 HydrophobicContact CG-CD2 3.85Å; P192-L195 WeakPolarHBondContact O-CB 3.36Å; P192-N252 WeakPolarHBondContact O-CA 3.44Å; P192-G253 PolarHBondContact O-N 3.24Å
193G97.6Very high98.3Very high3 Ų330.1 Ų30.13%0.03115%0.149CC..THydrogen-bonded Turntrans-66.3157.3174.700000110.9I118 T150 W191 L195 N252I118-G193 WeakPolarHBondContact CB-O 3.27Å; T150-G193 WeakPolarHBondContact CB-O 3.37Å; T150-G193 PolarHBondContact OG1-O 3.46Å; W191-G193 PolarHBondContact O-N 2.77Å; G193-L195 PolarHBondContact O-N 3.33Å; G193-N252 WeakPolarHBondContact CA-ND2 3.37Å; G193-N252 PolarHBondContact N-ND2 2.68Å
194D97.3Very high98.3Very high0 Ų027.2 Ų27.20%013%0.13CC..THydrogen-bonded Turntrans64.2-4.7-174.3-46.1-44.6000114.7L116 N117 I118 H119 S198 A199 D251L116-D194 VanDerWaalsContact C-OD2 3.31Å; L116-D194 VanDerWaalsContact CA-OD1 3.29Å; L116-D194 WeakPolarHBondContact CA-OD1 3.1Å; L116-D194 VanDerWaalsContact CA-OD2 3.24Å; L116-D194 WeakPolarHBondContact CA-OD2 3.4Å; L116-D194 HydrophobicContact CD2-CB 4.32Å; L116-D194 PolarHBondContact N-OD1 3.34Å; N117-D194 PolarHBondContact N-OD2 2.92Å; I118-D194 WeakPolarHBondContact CA-OD2 3.36Å; I118-D194 VanDerWaalsContact CB-OD2 3.3Å; I118-D194 WeakPolarHBondContact CB-OD2 3.26Å; I118-D194 PolarHBondContact N-OD2 2.93Å; H119-D194 PolarHBondContact N-OD2 2.77Å; H119-D194 VanDerWaalsContact N-OD2 3.12Å; D194-S198 CarbonylContact O-C 3.59Å; D194-S198 WeakPolarHBondContact O-CB 3.49Å; D194-S198 PolarHBondContact O-N 3.34Å; D194-A199 WeakPolarHBondContact O-CB 3.47Å; D194-A199 PolarHBondContact O-N 2.9Å; D194-D251 WeakPolarHBondContact CA-OD1 3.4Å; D194-D251 PolarHBondContact N-O 3.16Å
195L98.4Very high98.3Very high0 Ų024.4 Ų24.40%011%0.113CC..THydrogen-bonded Turntrans-77.3-40-174.2176.659.4000113T150 P192 G193 R197 I224 V238 D251 L255T150-L195 HydrophobicContact CG2-CB 4.02Å; T150-L195 HydrophobicContact CG2-CD1 3.88Å; T150-L195 HydrophobicContact CG2-CG 4.5Å; P192-L195 HydrophobicContact CB-CB 3.93Å; P192-L195 HydrophobicContact CB-CD2 3.72Å; P192-L195 HydrophobicContact CB-CG 4.44Å; P192-L195 HydrophobicContact CG-CD2 3.85Å; P192-L195 WeakPolarHBondContact O-CB 3.36Å; G193-L195 PolarHBondContact O-N 3.33Å; L195-R197 VanDerWaalsContact C-N 3.3Å; L195-R197 PolarHBondContact O-N 3.37Å; L195-I224 HydrophobicContact CD1-CD1 3.5Å; L195-I224 VanDerWaalsContact CD1-CD1 3.5Å; L195-V238 HydrophobicContact CD1-CG2 4.04Å; L195-V238 HydrophobicContact CG-CG2 4.22Å; L195-V238 WeakPolarHBondContact O-CG2 3.24Å; L195-D251 PolarHBondContact N-O 3.47Å; L195-L255 HydrophobicContact CD1-CB 4.13Å; L195-L255 HydrophobicContact CD1-CD2 4.31Å; L195-L255 HydrophobicContact CD2-CB 3.79Å; L195-L255 HydrophobicContact CG-CB 4.4Å
196G97.6Very high98.3Very high3 Ų318.8 Ų18.83%0.0318%0.083CC..THydrogen-bonded Turntrans-64.3-37.4-165.400000112.7R225 G239 D251G196-R225 PolarHBondContact O-NH2 3.47Å; G196-G239 VanDerWaalsContact CA-O 3.3Å; G196-G239 WeakPolarHBondContact CA-O 3.42Å; G196-D251 PolarHBondContact N-O 2.99Å
197R96.8Very high98.3Very high89 Ų8916.6 Ų16.634%0.3367%0.069SC..THydrogen-bonded Turntrans-134.9-29.8-170.7-55.2170.664.2172.45.5113.1N74 L195 H230 D251N74-R197 PolarHBondContact OD1-NH1 2.98Å; L195-R197 VanDerWaalsContact C-N 3.3Å; L195-R197 PolarHBondContact O-N 3.37Å; R197-H230 PolarHBondContact O-NE2 2.96Å; R197-D251 VanDerWaalsContact CA-OD2 3.26Å; R197-D251 WeakPolarHBondContact CA-OD2 3.36Å; R197-D251 HydrophobicContact CB-CB 4.01Å; R197-D251 VanDerWaalsContact CB-OD2 3.3Å; R197-D251 WeakPolarHBondContact CB-OD2 3.45Å; R197-D251 HydrophobicContact CG-CB 3.92Å; R197-D251 PolarHBondContact N-OD2 3.15Å
198S97.1Very high98.2Very high3 Ų316.6 Ų16.62%0.0217%0.069CC..THydrogen-bonded Turntrans-98.7-41.3-164-51.10000114.2Y77 D194 H230 D251Y77-S198 WeakPolarHBondContact CE2-OG 3.46Å; Y77-S198 PolarHBondContact OH-OG 3.33Å; D194-S198 CarbonylContact O-C 3.59Å; D194-S198 WeakPolarHBondContact O-CB 3.49Å; D194-S198 PolarHBondContact O-N 3.34Å; S198-H230 PolarHBondContact O-CE1 3.29Å; S198-D251 WeakPolarHBondContact CB-OD2 3.46Å; S198-D251 PolarHBondContact N-OD2 3.2Å; S198-D251 VanDerWaalsContact OG-CG 3.23Å; S198-D251 PolarHBondContact OG-OD1 3.44Å; S198-D251 PolarHBondContact OG-OD2 3.3Å
199A98.3Very high98.1Very high0 Ų017.6 Ų17.60%08%0.075CC..  trans-75.7134.6-168.900000113I148 T150 D194 I224 R225I148-A199 CarbonylContact O-C 3.3Å; T150-A199 HydrophobicContact CG2-CB 3.77Å; D194-A199 WeakPolarHBondContact O-CB 3.47Å; D194-A199 PolarHBondContact O-N 2.9Å; A199-I224 HydrophobicContact CB-CD1 4.2Å; A199-I224 WeakPolarHBondContact O-CD1 3.47Å; A199-R225 WeakPolarHBondContact O-CD 3.35Å; A199-R225 PolarHBondContact O-NE 3.42Å
200T98.7Very high97.9Very high10 Ų1017.7 Ų17.76%0.0618%0.075CC..SBendtrans-90.2-26.4170.861.40000112.6I148 I224 R225 L227I148-T200 PolarHBondContact N-OG1 3.4Å; I148-T200 WeakPolarHBondContact O-CA 3.39Å; I148-T200 PolarHBondContact O-N 2.94Å; I148-T200 PolarHBondContact O-OG1 3.15Å; T200-I224 VanDerWaalsContact C-CG1 3.49Å; T200-I224 VanDerWaalsContact O-CG1 3.3Å; T200-I224 WeakPolarHBondContact O-CG1 3.22Å; T200-I224 PolarHBondContact O-N 3.11Å; T200-R225 PolarHBondContact O-N 2.95Å; T200-R225 VanDerWaalsContact O-N 3.15Å; T200-L227 HydrophobicContact CG2-CD2 3.79Å
201H98.8Very high97.4Very high13 Ų1318.6 Ų18.66%0.069%0.092CC..EExtended strand (participates in β ladder)trans-132.9152.3-178.8-68.669.7000110.1I147 I148 A149 T150 V222I147-H201 WeakPolarHBondContact CG2-CE1 3.49Å; I148-H201 PolarHBondContact O-N 3.25Å; A149-H201 CarbonylContact C-O 3.49Å; A149-H201 VanDerWaalsContact CA-O 3.22Å; A149-H201 WeakPolarHBondContact CA-O 3.41Å; A149-H201 HydrophobicContact CB-CB 4.22Å; T150-H201 PolarHBondContact N-O 3.2Å; H201-V222 CarbonylContact C-O 3.43Å; H201-V222 VanDerWaalsContact CA-O 3.32Å; H201-V222 WeakPolarHBondContact CA-O 3.37Å
202A98.8Very high96.8Very high0 Ų016.1 Ų16.10%011%0.108CC..EExtended strand (participates in β ladder)trans-129.5137.4173.300000110.2T150 A152 V204 V222 I224 L255T150-A202 HydrophobicContact CG2-CB 3.92Å; A152-A202 HydrophobicContact CB-CB 4.11Å; A202-V204 HydrophobicContact CB-CG2 3.98Å; A202-V204 PolarHBondContact O-N 2.62Å; A202-V222 PolarHBondContact N-O 3.33Å; A202-V222 PolarHBondContact O-N 3.28Å; A202-I224 HydrophobicContact CB-CD1 4.32Å; A202-I224 HydrophobicContact CB-CG2 4.15Å; A202-L255 HydrophobicContact CB-CD2 4.17Å
203L98.7Very high96.5Very high0 Ų017.1 Ų17.10%012%0.117CC..EExtended strand (participates in β ladder)trans-84.194.4163-170.468.1000108.3F122 A125 T150 Y151 A152 A219 F220 I221 L268F122-L203 HydrophobicContact CD2-CB 3.56Å; F122-L203 HydrophobicContact CE2-CB 3.7Å; F122-L203 HydrophobicContact CE2-CD1 4.41Å; A125-L203 HydrophobicContact CB-CD2 3.53Å; T150-L203 PolarHBondContact O-N 3.05Å; Y151-L203 HydrophobicContact CD2-CB 4.49Å; Y151-L203 HydrophobicContact CD2-CD2 3.91Å; Y151-L203 HydrophobicContact CE2-CD2 4.05Å; A152-L203 WeakPolarHBondContact CA-O 3.33Å; A152-L203 PolarHBondContact N-O 3.32Å; L203-A219 HydrophobicContact CD1-CB 3.85Å; L203-A219 HydrophobicContact CD2-CB 4.16Å; L203-A219 HydrophobicContact CG-CB 3.96Å; L203-F220 CarbonylContact C-O 3.57Å; L203-F220 WeakPolarHBondContact CA-O 3.48Å; L203-I221 HydrophobicContact CD1-CG1 3.71Å; L203-L268 HydrophobicContact CD1-CD1 3.63Å; L203-L268 HydrophobicContact CD1-CG 3.96Å; L203-L268 HydrophobicContact CD2-CD1 3.95Å; L203-L268 HydrophobicContact CG-CD1 4.45Å
204V98.8Very high96.4Very high0 Ų025.2 Ų25.20%015%0.147CC..EExtended strand (participates in β ladder)trans-82.9121.1-176.7-179.20000109.3A152 T167 I180 A202 A206 F220 V222 L255 L257A152-V204 HydrophobicContact CB-CG2 4.37Å; A152-V204 WeakPolarHBondContact O-CA 3.41Å; T167-V204 HydrophobicContact CG2-CG1 4.12Å; I180-V204 HydrophobicContact CG2-CG1 4.46Å; A202-V204 HydrophobicContact CB-CG2 3.98Å; A202-V204 PolarHBondContact O-N 2.62Å; V204-A206 HydrophobicContact CG1-CB 4.44Å; V204-F220 PolarHBondContact N-O 3.12Å; V204-F220 PolarHBondContact O-N 3.21Å; V204-V222 HydrophobicContact CB-CG2 3.99Å; V204-V222 HydrophobicContact CG2-CB 3.97Å; V204-V222 HydrophobicContact CG2-CG2 3.58Å; V204-L255 HydrophobicContact CG2-CD2 4.24Å; V204-L257 HydrophobicContact CG1-CD1 3.96Å; V204-L257 HydrophobicContact CG2-CD1 4.09Å
205Q98.2Very high96.3Very high0 Ų030 Ų300%017%0.165CC..EExtended strand (participates in β ladder)trans-82.3122167-59.5-63.9-25.900109.1Y151 A152 Q153 L165 K189 M217 H218Y151-Q205 PolarHBondContact OH-NE2 2.95Å; A152-Q205 PolarHBondContact O-N 2.92Å; Q153-Q205 HydrophobicContact CB-CB 4.24Å; Q153-Q205 HydrophobicContact CB-CG 3.71Å; Q153-Q205 HydrophobicContact CG-CB 4.16Å; Q153-Q205 HydrophobicContact CG-CG 3.84Å; L165-Q205 HydrophobicContact CD1-CB 4.07Å; K189-Q205 VanDerWaalsContact CE-O 3.28Å; K189-Q205 WeakPolarHBondContact CE-O 3.49Å; K189-Q205 PolarHBondContact NZ-O 3.36Å; Q205-M217 HydrophobicContact CB-CG 3.88Å; Q205-M217 HydrophobicContact CB-SD 3.91Å; Q205-M217 HydrophobicContact CG-SD 4.2Å; Q205-H218 CarbonylContact C-O 3.58Å; Q205-H218 WeakPolarHBondContact CA-O 3.42Å; Q205-H218 PolarHBondContact OE1-O 2.67Å
206A98.3Very high96.1Very high0 Ų031.3 Ų31.30%018%0.179CC..EExtended strand (participates in β ladder)trans-141.5156.2-176.900000111.4T167 A169 V204 L208 M217 H218 F220T167-A206 HydrophobicContact CG2-CB 3.83Å; T167-A206 CarbonylContact O-C 3.57Å; T167-A206 VanDerWaalsContact O-CA 3.31Å; T167-A206 WeakPolarHBondContact O-CA 3.42Å; T167-A206 WeakPolarHBondContact O-CB 3.4Å; A169-A206 HydrophobicContact CB-CB 3.92Å; V204-A206 HydrophobicContact CG1-CB 4.44Å; A206-L208 PolarHBondContact O-N 3.05Å; A206-M217 CarbonylContact O-C 3.24Å; A206-M217 WeakPolarHBondContact O-CA 3.14Å; A206-H218 PolarHBondContact N-O 3.48Å; A206-H218 PolarHBondContact O-N 3.28Å; A206-F220 HydrophobicContact CB-CD2 4.08Å; A206-F220 HydrophobicContact CB-CE2 4.06Å
207Q97.9Very high95.9Very high12 Ų1231.7 Ų31.76%0.05618%0.179CC..EExtended strand (participates in β ladder)trans-69.2112.4170.8-61.4-65.2-20.700109.3Q163 L165 T167 A169 V209 G216Q163-Q207 PolarHBondContact O-NE2 3.24Å; L165-Q207 WeakPolarHBondContact O-CG 3.3Å; L165-Q207 PolarHBondContact O-NE2 2.97Å; T167-Q207 PolarHBondContact O-N 3.12Å; A169-Q207 PolarHBondContact N-O 3.34Å; Q207-V209 PolarHBondContact O-N 3.4Å; Q207-G216 VanDerWaalsContact OE1-CA 3.31Å
208L97.7Very high96Very high0 Ų027.6 Ų27.60%016%0.164CC..EExtended strand (participates in β ladder)trans-70.2126.5174.8171.261.2000109.7F178 A206 C210 R214 R215 G216 H218 F220 M267 V274 Y280F178-L208 HydrophobicContact CD1-CD1 4.12Å; F178-L208 HydrophobicContact CE1-CD1 3.47Å; F178-L208 VanDerWaalsContact CE1-CD1 3.47Å; F178-L208 HydrophobicContact CZ-CD1 4.34Å; A206-L208 PolarHBondContact O-N 3.05Å; L208-C210 HydrophobicContact CD1-CB 4.37Å; L208-R214 CarbonylContact O-C 3.53Å; L208-R214 WeakPolarHBondContact O-CA 3.48Å; L208-R215 HydrophobicContact CB-CB 4.17Å; L208-R215 HydrophobicContact CD2-CB 3.91Å; L208-R215 HydrophobicContact CD2-CG 4.26Å; L208-R215 HydrophobicContact CG-CB 4.01Å; L208-R215 HydrophobicContact CG-CG 4.3Å; L208-R215 PolarHBondContact O-N 3.47Å; L208-G216 PolarHBondContact N-O 2.89Å; L208-H218 HydrophobicContact CB-CB 4.26Å; L208-H218 WeakPolarHBondContact CB-ND1 3.39Å; L208-F220 HydrophobicContact CB-CZ 4.35Å; L208-F220 HydrophobicContact CD1-CZ 4.15Å; L208-M267 HydrophobicContact CD1-SD 4.43Å; L208-M267 HydrophobicContact CD2-CE 3.85Å; L208-M267 HydrophobicContact CD2-SD 4.04Å; L208-V274 HydrophobicContact CD1-CG2 4.31Å; L208-V274 HydrophobicContact CD2-CG2 3.94Å; L208-Y280 HydrophobicContact CD2-CD2 3.81Å; L208-Y280 HydrophobicContact CD2-CE2 3.67Å
209V97.6Very high96Very high24 Ų2427.7 Ų27.715%0.14517%0.165CC..EExtended strand (participates in β ladder)trans-116115.3170.3-174.60000108.4A169 T170 Y171 Q207 A213 R214A169-V209 PolarHBondContact O-N 3.12Å; T170-V209 WeakPolarHBondContact CA-O 3.12Å; T170-V209 HydrophobicContact CG2-CB 4.36Å; T170-V209 HydrophobicContact CG2-CG1 4.39Å; Y171-V209 PolarHBondContact N-O 3.42Å; Q207-V209 PolarHBondContact O-N 3.4Å; V209-A213 WeakPolarHBondContact CA-O 3.49Å; V209-R214 HydrophobicContact CG2-CG 4.13Å
210C94.4Very high96Very high2 Ų227.7 Ų27.71%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-144.2144.117563.40000111.1L208 G212 A213 R215L208-C210 HydrophobicContact CD1-CB 4.37Å; C210-G212 PolarHBondContact O-N 3.21Å; C210-A213 PolarHBondContact N-O 3.49Å; C210-A213 VanDerWaalsContact N-O 3.08Å; C210-A213 PolarHBondContact O-N 3.14Å; C210-R215 WeakPolarHBondContact SG-CG 3.41Å
211S88Confident96Very high87 Ų8727.2 Ų27.261%0.60816%0.162SC*.THydrogen-bonded Turntrans50.340-174-47.30000112.9A213 G278S211-A213 PolarHBondContact O-N 2.85Å; S211-G278 PolarHBondContact OG-O 3.25Å
212G84.8Confident96Very high82 Ų8226.6 Ų26.685%0.84516%0.159SC*.THydrogen-bonded Turntrans72.65.6-179.900000115.8C210C210-G212 PolarHBondContact O-N 3.21Å
213A93.4Very high96Very high31 Ų3128.5 Ų28.526%0.25617%0.172SC..EExtended strand (participates in β ladder)trans-119.7139.6-177.600000112.5V209 C210 S211V209-A213 WeakPolarHBondContact CA-O 3.49Å; C210-A213 PolarHBondContact N-O 3.49Å; C210-A213 VanDerWaalsContact N-O 3.08Å; C210-A213 PolarHBondContact O-N 3.14Å; S211-A213 PolarHBondContact O-N 2.85Å
214R94.8Very high96Very high173 Ų17328.5 Ų28.565%0.65317%0.172SC*.EExtended strand (participates in β ladder)trans-73.7123.5168.5-73.5-177.7172.3-167.2-0.4109.7E168 L208 V209E168-R214 IonicContact OE1-CZ 2.85Å; E168-R214 IonicContact OE1-NE 3.11Å; E168-R214 IonicContact OE1-NH2 3.88Å; E168-R214 PolarHBondContact OE1-NH2 2.82Å; L208-R214 CarbonylContact O-C 3.53Å; L208-R214 WeakPolarHBondContact O-CA 3.48Å; V209-R214 HydrophobicContact CG2-CG 4.13Å
215R94.6Very high96Very high102 Ų10229.7 Ų29.739%0.38518%0.176SC..EExtended strand (participates in β ladder)trans-105.64.7-178-57-56.3-176.8175.60.3113.7L208 C210 H218 Y280L208-R215 HydrophobicContact CB-CB 4.17Å; L208-R215 HydrophobicContact CD2-CB 3.91Å; L208-R215 HydrophobicContact CD2-CG 4.26Å; L208-R215 HydrophobicContact CG-CB 4.01Å; L208-R215 HydrophobicContact CG-CG 4.3Å; L208-R215 PolarHBondContact O-N 3.47Å; C210-R215 WeakPolarHBondContact SG-CG 3.41Å; R215-H218 PolarHBondContact O-CE1 3.03Å; R215-Y280 HydrophobicContact CB-CD2 4.36Å; R215-Y280 HydrophobicContact CB-CE1 4.5Å; R215-Y280 HydrophobicContact CB-CE2 4.08Å; R215-Y280 HydrophobicContact CG-CD1 4.3Å; R215-Y280 HydrophobicContact CG-CD2 4.06Å; R215-Y280 HydrophobicContact CG-CE1 4.5Å; R215-Y280 HydrophobicContact CG-CE2 4.28Å; R215-Y280 HydrophobicContact CG-CG 4.06Å
216G93.8Very high96Very high27 Ų2730.8 Ų30.828%0.27818%0.184SC..EExtended strand (participates in β ladder)trans85.7-176.7-17900000113.4Q207 L208 H218Q207-G216 VanDerWaalsContact OE1-CA 3.31Å; L208-G216 PolarHBondContact N-O 2.89Å; G216-H218 PolarHBondContact O-N 2.76Å; G216-H218 PolarHBondContact O-ND1 3.2Å
217M95.3Very high96Very high10 Ų1036.2 Ų36.25%0.04921%0.212CC..EExtended strand (participates in β ladder)trans-64.3126.7-175.3-174.3-172.776.300112.6L162 L165 Q205 A206 N289 Y290L162-M217 HydrophobicContact CB-SD 4.11Å; L162-M217 HydrophobicContact CD1-SD 4.5Å; L165-M217 HydrophobicContact CD1-CG 3.93Å; L165-M217 HydrophobicContact CD1-SD 3.64Å; Q205-M217 HydrophobicContact CB-CG 3.88Å; Q205-M217 HydrophobicContact CB-SD 3.91Å; Q205-M217 HydrophobicContact CG-SD 4.2Å; A206-M217 CarbonylContact O-C 3.24Å; A206-M217 WeakPolarHBondContact O-CA 3.14Å; M217-N289 HydrophobicContact CE-CB 4.5Å; M217-N289 PolarHBondContact O-ND2 3.36Å; M217-Y290 HydrophobicContact CE-CD1 4.1Å; M217-Y290 HydrophobicContact CE-CE1 3.83Å
218H97Very high95.9Very high4 Ų447.1 Ų47.12%0.01925%0.253CS..EExtended strand (participates in β ladder)trans-135.2160.4173.2-7181.5000111Q205 A206 L208 R215 G216 F220 M267 A272 Y280 N289Q205-H218 CarbonylContact C-O 3.58Å; Q205-H218 WeakPolarHBondContact CA-O 3.42Å; Q205-H218 PolarHBondContact OE1-O 2.67Å; A206-H218 PolarHBondContact N-O 3.48Å; A206-H218 PolarHBondContact O-N 3.28Å; L208-H218 HydrophobicContact CB-CB 4.26Å; L208-H218 WeakPolarHBondContact CB-ND1 3.39Å; R215-H218 PolarHBondContact O-CE1 3.03Å; G216-H218 PolarHBondContact O-N 2.76Å; G216-H218 PolarHBondContact O-ND1 3.2Å; H218-F220 HydrophobicContact CB-CE2 3.7Å; H218-F220 HydrophobicContact CB-CZ 3.92Å; H218-F220 WeakPolarHBondContact O-CD2 3.42Å; H218-F220 WeakPolarHBondContact O-CE2 3.49Å; H218-M267 HydrophobicContact CB-CE 4.33Å; H218-M267 VanDerWaalsContact CD2-CE 3.41Å; H218-M267 WeakPolarHBondContact CD2-CE 3.49Å; H218-A272 WeakPolarHBondContact NE2-CB 3.39Å; H218-Y280 PolarHBondContact CE1-OH 3.4Å; H218-Y280 AromaticContact NE2-CE2 3.89Å; H218-Y280 PolarHBondContact NE2-OH 3.4Å; H218-N289 PolarHBondContact NE2-ND2 3.12Å
219A97.8Very high95.9Very high4 Ų451.9 Ų51.93%0.03328%0.278CS..EExtended strand (participates in β ladder)trans-103.7126.9-173.900000111.5L129 L203 M267 L268L129-A219 HydrophobicContact CD1-CB 4.09Å; L203-A219 HydrophobicContact CD1-CB 3.85Å; L203-A219 HydrophobicContact CD2-CB 4.16Å; L203-A219 HydrophobicContact CG-CB 3.96Å; A219-M267 WeakPolarHBondContact O-CA 3.27Å; A219-L268 HydrophobicContact CB-CB 4.35Å; A219-L268 HydrophobicContact CB-CD1 4.13Å; A219-L268 HydrophobicContact CB-CG 4.28Å; A219-L268 PolarHBondContact O-N 2.98Å
220F98.8Very high95.9Very high0 Ų054.1 Ų54.10%029%0.287CS..EExtended strand (participates in β ladder)trans-124.7129.1-176.9-58.1-94.7000110.6A169 F178 I180 L203 V204 A206 L208 H218 V222 N266 M267A169-F220 HydrophobicContact CB-CD1 4.32Å; A169-F220 HydrophobicContact CB-CD2 3.98Å; A169-F220 HydrophobicContact CB-CE1 3.84Å; A169-F220 HydrophobicContact CB-CE2 3.46Å; A169-F220 VanDerWaalsContact CB-CE2 3.46Å; A169-F220 HydrophobicContact CB-CG 4.39Å; A169-F220 HydrophobicContact CB-CZ 3.39Å; F178-F220 HydrophobicContact CB-CD1 4.37Å; F178-F220 HydrophobicContact CB-CE1 4.3Å; F178-F220 AromaticContact CD1-CE1 3.72Å; F178-F220 HydrophobicContact CD1-CE1 3.72Å; F178-F220 HydrophobicContact CD1-CZ 4.43Å; F178-F220 AromaticContact CD2-CD1 3.95Å; F178-F220 HydrophobicContact CD2-CD1 3.95Å; F178-F220 AromaticContact CD2-CE1 3.74Å; F178-F220 HydrophobicContact CD2-CE1 3.74Å; F178-F220 AromaticContact CE1-CE1 3.89Å; F178-F220 HydrophobicContact CE1-CE1 3.89Å; F178-F220 HydrophobicContact CE2-CD1 4.36Å; F178-F220 AromaticContact CE2-CE1 3.9Å; F178-F220 HydrophobicContact CE2-CE1 3.9Å; F178-F220 HydrophobicContact CG-CD1 4.04Å; F178-F220 AromaticContact CG-CE1 3.64Å; F178-F220 HydrophobicContact CG-CE1 3.64Å; F178-F220 AromaticContact CZ-CE1 3.98Å; F178-F220 HydrophobicContact CZ-CE1 3.98Å; I180-F220 HydrophobicContact CD1-CB 3.81Å; I180-F220 HydrophobicContact CD1-CG 4.17Å; L203-F220 CarbonylContact C-O 3.57Å; L203-F220 WeakPolarHBondContact CA-O 3.48Å; V204-F220 PolarHBondContact N-O 3.12Å; V204-F220 PolarHBondContact O-N 3.21Å; A206-F220 HydrophobicContact CB-CD2 4.08Å; A206-F220 HydrophobicContact CB-CE2 4.06Å; L208-F220 HydrophobicContact CB-CZ 4.35Å; L208-F220 HydrophobicContact CD1-CZ 4.15Å; H218-F220 HydrophobicContact CB-CE2 3.7Å; H218-F220 HydrophobicContact CB-CZ 3.92Å; H218-F220 WeakPolarHBondContact O-CD2 3.42Å; H218-F220 WeakPolarHBondContact O-CE2 3.49Å; F220-V222 HydrophobicContact CB-CG2 4.32Å; F220-V222 PolarHBondContact O-N 3.38Å; F220-N266 CarbonylContact C-O 3.51Å; F220-N266 WeakPolarHBondContact CA-O 3.36Å; F220-M267 HydrophobicContact CD1-CB 3.72Å; F220-M267 HydrophobicContact CD1-CG 4.15Å; F220-M267 HydrophobicContact CE1-CB 3.6Å; F220-M267 HydrophobicContact CE1-CG 3.68Å; F220-M267 HydrophobicContact CE1-SD 4.05Å; F220-M267 HydrophobicContact CZ-CG 4.11Å; F220-M267 HydrophobicContact CZ-SD 4.26Å
221I98.8Very high96.1Very high0 Ų057.1 Ų57.10%031%0.306CS..EExtended strand (participates in β ladder)trans-79.9116.8172.9-62.2172.7000108.6F122 L126 W138 L203 N266 L268F122-I221 HydrophobicContact CE2-CG1 4.24Å; F122-I221 HydrophobicContact CZ-CD1 4.15Å; F122-I221 HydrophobicContact CZ-CG1 4.25Å; L126-I221 HydrophobicContact CD1-CD1 4.28Å; W138-I221 HydrophobicContact CB-CD1 4.42Å; W138-I221 VanDerWaalsContact CD1-CD1 3.41Å; W138-I221 HydrophobicContact CD2-CD1 3.85Å; W138-I221 HydrophobicContact CD2-CG2 4.43Å; W138-I221 HydrophobicContact CE3-CG2 4.4Å; W138-I221 HydrophobicContact CG-CD1 3.68Å; W138-I221 HydrophobicContact CH2-CG2 4.05Å; W138-I221 HydrophobicContact CZ2-CB 4.5Å; W138-I221 HydrophobicContact CZ2-CD1 4.47Å; W138-I221 HydrophobicContact CZ2-CG2 4.06Å; W138-I221 HydrophobicContact CZ3-CG2 4.22Å; L203-I221 HydrophobicContact CD1-CG1 3.71Å; I221-N266 HydrophobicContact CB-CB 4.44Å; I221-N266 PolarHBondContact N-O 3.46Å; I221-N266 WeakPolarHBondContact O-CB 3.16Å; I221-N266 PolarHBondContact O-ND2 3.05Å; I221-L268 HydrophobicContact CD1-CD2 3.92Å; I221-L268 HydrophobicContact CG1-CD2 4.33Å
222V98.9Very high96.6Very high0 Ų055.8 Ų55.80%030%0.295CS..EExtended strand (participates in β ladder)trans-119.8118.2-177.2-172.50000109.5I180 H201 A202 V204 F220 I224 L257 V260 V262I180-V222 HydrophobicContact CD1-CG2 3.42Å; I180-V222 VanDerWaalsContact CD1-CG2 3.42Å; H201-V222 CarbonylContact C-O 3.43Å; H201-V222 VanDerWaalsContact CA-O 3.32Å; H201-V222 WeakPolarHBondContact CA-O 3.37Å; A202-V222 PolarHBondContact N-O 3.33Å; A202-V222 PolarHBondContact O-N 3.28Å; V204-V222 HydrophobicContact CB-CG2 3.99Å; V204-V222 HydrophobicContact CG2-CB 3.97Å; V204-V222 HydrophobicContact CG2-CG2 3.58Å; F220-V222 HydrophobicContact CB-CG2 4.32Å; F220-V222 PolarHBondContact O-N 3.38Å; V222-I224 HydrophobicContact CG1-CG2 4.28Å; V222-I224 PolarHBondContact O-N 3.28Å; V222-L257 HydrophobicContact CG1-CD2 4.29Å; V222-V260 HydrophobicContact CG1-CG1 3.94Å; V222-V262 HydrophobicContact CB-CG1 4.45Å; V222-V262 HydrophobicContact CG1-CG1 4.2Å; V222-V262 HydrophobicContact CG2-CG1 4.25Å
223P98.6Very high97.3Very high40 Ų4054.6 Ų54.626%0.2627%0.269SS..EExtended strand (participates in β ladder)trans-63.9127166.2-17.331.3000109.3L233 I236P223-L233 HydrophobicContact CB-CD1 3.71Å; P223-I236 WeakPolarHBondContact O-CD1 3.16Å
224I98.7Very high97.5Very high0 Ų058.9 Ų58.90%029%0.294CS..  trans-115.4-20.6-17757.4166.6000113.6L195 A199 T200 A202 V222 P232 L233 I236 L255L195-I224 HydrophobicContact CD1-CD1 3.5Å; L195-I224 VanDerWaalsContact CD1-CD1 3.5Å; A199-I224 HydrophobicContact CB-CD1 4.2Å; A199-I224 WeakPolarHBondContact O-CD1 3.47Å; T200-I224 VanDerWaalsContact C-CG1 3.49Å; T200-I224 VanDerWaalsContact O-CG1 3.3Å; T200-I224 WeakPolarHBondContact O-CG1 3.22Å; T200-I224 PolarHBondContact O-N 3.11Å; A202-I224 HydrophobicContact CB-CD1 4.32Å; A202-I224 HydrophobicContact CB-CG2 4.15Å; V222-I224 HydrophobicContact CG1-CG2 4.28Å; V222-I224 PolarHBondContact O-N 3.28Å; I224-P232 WeakPolarHBondContact O-CA 2.96Å; I224-L233 PolarHBondContact O-N 3.38Å; I224-L233 VanDerWaalsContact O-N 3.13Å; I224-I236 HydrophobicContact CB-CD1 4.45Å; I224-I236 HydrophobicContact CB-CG2 4.3Å; I224-I236 HydrophobicContact CG2-CD1 4.48Å; I224-L255 HydrophobicContact CG2-CD1 3.96Å; I224-L255 HydrophobicContact CG2-CD2 4.01Å
225R98.7Very high97.7Very high25 Ų2552.1 Ų52.19%0.09428%0.278CS..BIsolated β-bridgetrans-135.3150.2176.5-60.4178.6-179.6-83.5-1.1111.3G196 A199 T200 H230 T231G196-R225 PolarHBondContact O-NH2 3.47Å; A199-R225 WeakPolarHBondContact O-CD 3.35Å; A199-R225 PolarHBondContact O-NE 3.42Å; T200-R225 PolarHBondContact O-N 2.95Å; T200-R225 VanDerWaalsContact O-N 3.15Å; R225-H230 WeakPolarHBondContact CD-CE1 3.31Å; R225-H230 WeakPolarHBondContact CD-NE2 3.07Å; R225-H230 WeakPolarHBondContact CD-O 3.11Å; R225-H230 PolarHBondContact NH1-O 2.99Å; R225-H230 VanDerWaalsContact NH1-O 3.15Å; R225-T231 CarbonylContact C-O 3.59Å; R225-T231 VanDerWaalsContact CA-O 3.24Å; R225-T231 WeakPolarHBondContact CA-O 3.47Å
226S98.3Very high97.9Very high23 Ų2348 Ų4816%0.16126%0.264CS..  trans-62.9132.5171.9163.10000110.7R228 D229 H230 T231S226-R228 PolarHBondContact O-N 3.21Å; S226-R228 PolarHBondContact OG-N 3.09Å; S226-D229 WeakPolarHBondContact CB-OD1 3.21Å; S226-D229 PolarHBondContact OG-OD1 3.38Å; S226-H230 WeakPolarHBondContact O-CA 3.49Å; S226-H230 PolarHBondContact O-N 3.06Å; S226-T231 PolarHBondContact N-O 3.36Å
227L97.5Very high98.1Very high114 Ų11451.3 Ų51.360%0.59727%0.274SS*.THydrogen-bonded Turntrans-72.9-6.2175.6-61.9-179.3000113.2I147 T200I147-L227 HydrophobicContact CG2-CD1 4.45Å; I147-L227 HydrophobicContact CG2-CD2 4.36Å; T200-L227 HydrophobicContact CG2-CD2 3.79Å
228R96.9Very high98.3Very high241 Ų24151.8 Ų51.891%0.90928%0.277SS*.THydrogen-bonded Turntrans-93.3-47.9-178.2-65.8-175.7178-177.2-0.1112.8S226S226-R228 PolarHBondContact O-N 3.21Å; S226-R228 PolarHBondContact OG-N 3.09Å
229D97.3Very high98.3Very high101 Ų10152.3 Ų52.354%0.5428%0.283SS..THydrogen-bonded Turntrans-130.93.2-170.859-5.8000112.9S226 T231S226-D229 WeakPolarHBondContact CB-OD1 3.21Å; S226-D229 PolarHBondContact OG-OD1 3.38Å; D229-T231 HydrophobicContact CB-CG2 4.38Å; D229-T231 PolarHBondContact O-N 3.33Å; D229-T231 VanDerWaalsContact O-N 3.08Å; D229-T231 PolarHBondContact OD1-OG1 3.22Å
230H98.1Very high98.3Very high71 Ų7154.5 Ų54.533%0.32929%0.294SS..  trans63.311.3174.8-15562.7000115.1R197 S198 R225 S226R197-H230 PolarHBondContact O-NE2 2.96Å; S198-H230 PolarHBondContact O-CE1 3.29Å; R225-H230 WeakPolarHBondContact CD-CE1 3.31Å; R225-H230 WeakPolarHBondContact CD-NE2 3.07Å; R225-H230 WeakPolarHBondContact CD-O 3.11Å; R225-H230 PolarHBondContact NH1-O 2.99Å; R225-H230 VanDerWaalsContact NH1-O 3.15Å; S226-H230 WeakPolarHBondContact O-CA 3.49Å; S226-H230 PolarHBondContact O-N 3.06Å
231T98.3Very high98.3Very high65 Ų6555.9 Ų55.940%0.39930%0.302SS..PPolyproline II helixtrans-68.8147.5174.8630000110.2R225 S226 D229 L233R225-T231 CarbonylContact C-O 3.59Å; R225-T231 VanDerWaalsContact CA-O 3.24Å; R225-T231 WeakPolarHBondContact CA-O 3.47Å; S226-T231 PolarHBondContact N-O 3.36Å; D229-T231 HydrophobicContact CB-CG2 4.38Å; D229-T231 PolarHBondContact O-N 3.33Å; D229-T231 VanDerWaalsContact O-N 3.08Å; D229-T231 PolarHBondContact OD1-OG1 3.22Å; T231-L233 PolarHBondContact O-N 3.19Å
232P98.6Very high98.2Very high59 Ų5956.8 Ų56.838%0.38331%0.311SS..BIsolated β-bridgetrans-53.2138.8169.8-25.135.5000111.6I224 I236 V238I224-P232 WeakPolarHBondContact O-CA 2.96Å; P232-I236 HydrophobicContact CB-CG2 4.26Å; P232-V238 HydrophobicContact CB-CG1 4.06Å; P232-V238 HydrophobicContact CG-CG1 3.78Å
233L98.8Very high98Very high57 Ų5762.3 Ų62.330%0.29835%0.346SS..PPolyproline II helixtrans-75.3163175.6-67.2171.7000111.1P223 I224 T231 G235 I236P223-L233 HydrophobicContact CB-CD1 3.71Å; I224-L233 PolarHBondContact O-N 3.38Å; I224-L233 VanDerWaalsContact O-N 3.13Å; T231-L233 PolarHBondContact O-N 3.19Å; L233-G235 PolarHBondContact O-N 3.2Å; L233-I236 HydrophobicContact CB-CD1 3.63Å; L233-I236 WeakPolarHBondContact O-CB 3.31Å; L233-I236 PolarHBondContact O-N 3.19Å; L233-I236 VanDerWaalsContact O-N 3.14Å
234P98.6Very high97.9Very high121 Ų12162.2 Ų62.279%0.78634%0.342SS*.THydrogen-bonded Turntrans-54137.4178.6-27.135.9000112.9I236P234-I236 VanDerWaalsContact C-N 3.29Å; P234-I236 PolarHBondContact O-N 3.02Å
235G98.3Very high97.8Very high31 Ų3168.7 Ų68.732%0.3237%0.374SS..THydrogen-bonded Turntrans78.95-178.400000114.9L233 N258L233-G235 PolarHBondContact O-N 3.2Å; G235-N258 PolarHBondContact O-N 2.93Å
236I98.8Very high97.6Very high16 Ų1668.7 Ų68.78%0.08238%0.376CS..EExtended strand (participates in β ladder)trans-111.3130.7178.6-71.6138.6000111.4P223 I224 P232 L233 P234 V238 L255 L257 V260P223-I236 WeakPolarHBondContact O-CD1 3.16Å; I224-I236 HydrophobicContact CB-CD1 4.45Å; I224-I236 HydrophobicContact CB-CG2 4.3Å; I224-I236 HydrophobicContact CG2-CD1 4.48Å; P232-I236 HydrophobicContact CB-CG2 4.26Å; L233-I236 HydrophobicContact CB-CD1 3.63Å; L233-I236 WeakPolarHBondContact O-CB 3.31Å; L233-I236 PolarHBondContact O-N 3.19Å; L233-I236 VanDerWaalsContact O-N 3.14Å; P234-I236 VanDerWaalsContact C-N 3.29Å; P234-I236 PolarHBondContact O-N 3.02Å; I236-V238 HydrophobicContact CG2-CB 4.15Å; I236-V238 HydrophobicContact CG2-CG1 3.95Å; I236-L255 HydrophobicContact CG2-CD1 3.62Å; I236-L257 HydrophobicContact CG1-CD2 3.85Å; I236-V260 HydrophobicContact CD1-CG2 4.4Å; I236-V260 HydrophobicContact CG1-CG2 4.01Å
237I98.6Very high97.4Very high96 Ų9668.8 Ų68.849%0.49237%0.373SS..EExtended strand (participates in β ladder)trans-116.2122.3166.3-49.6177.1000107.3F254 L255 Q256I237-F254 HydrophobicContact CG2-CE2 4.13Å; I237-L255 WeakPolarHBondContact O-CA 3.4Å; I237-Q256 HydrophobicContact CB-CB 4.21Å; I237-Q256 PolarHBondContact N-O 3.35Å; I237-Q256 VanDerWaalsContact N-O 3.09Å; I237-Q256 PolarHBondContact O-N 2.84Å
238V98.7Very high97.2Very high20 Ų2065.7 Ų65.712%0.12136%0.357CS..EExtended strand (participates in β ladder)trans-144141.6-17558.20000111L195 P232 I236 F254 L255L195-V238 HydrophobicContact CD1-CG2 4.04Å; L195-V238 HydrophobicContact CG-CG2 4.22Å; L195-V238 WeakPolarHBondContact O-CG2 3.24Å; P232-V238 HydrophobicContact CB-CG1 4.06Å; P232-V238 HydrophobicContact CG-CG1 3.78Å; I236-V238 HydrophobicContact CG2-CB 4.15Å; I236-V238 HydrophobicContact CG2-CG1 3.95Å; V238-F254 WeakPolarHBondContact CA-O 3.34Å; V238-F254 WeakPolarHBondContact CG2-O 3.46Å; V238-L255 HydrophobicContact CB-CD1 4.21Å
239G98.1Very high97.1Very high14 Ų1454.6 Ų54.614%0.14432%0.316CS..EExtended strand (participates in β ladder)trans-170.3175178.800000113.1G196 G253 F254G196-G239 VanDerWaalsContact CA-O 3.3Å; G196-G239 WeakPolarHBondContact CA-O 3.42Å; G239-G253 CarbonylContact O-C 3.51Å; G239-G253 WeakPolarHBondContact O-CA 3.22Å; G239-F254 VanDerWaalsContact C-CE1 3.48Å; G239-F254 PolarHBondContact N-O 3.31Å; G239-F254 WeakPolarHBondContact O-CD1 3.41Å; G239-F254 PolarHBondContact O-N 3.4Å
240D98Very high97Very high50 Ų5050.4 Ų50.427%0.26729%0.293SS..EExtended strand (participates in β ladder)trans-79.2145177.1-170.8-94.7000111.2G242 D251D240-G242 VanDerWaalsContact C-N 3.32Å; D240-G242 WeakPolarHBondContact OD1-CA 3.41Å; D240-G242 PolarHBondContact OD1-N 3.09Å; D240-D251 WeakPolarHBondContact OD2-CA 3.34Å
241I97.9Very high96.9Very high30 Ų3047.1 Ų47.115%0.15428%0.278CS..  trans-84.8-3.8-178.868.9-175.8000113.9W190 W191 N252 G253 F254W190-I241 HydrophobicContact CD2-CG2 3.95Å; W190-I241 HydrophobicContact CE3-CG2 4.32Å; W190-I241 HydrophobicContact CG-CG2 4.47Å; W190-I241 HydrophobicContact CH2-CB 4.34Å; W190-I241 HydrophobicContact CH2-CG2 4.21Å; W190-I241 HydrophobicContact CZ2-CB 3.77Å; W190-I241 HydrophobicContact CZ2-CG2 3.82Å; W190-I241 HydrophobicContact CZ3-CG2 4.44Å; W191-I241 HydrophobicContact CD2-CD1 3.84Å; W191-I241 HydrophobicContact CE3-CD1 3.22Å; W191-I241 HydrophobicContact CH2-CD1 3.96Å; W191-I241 HydrophobicContact CZ2-CD1 4.49Å; W191-I241 HydrophobicContact CZ3-CD1 3.3Å; I241-N252 HydrophobicContact CD1-CB 3.57Å; I241-N252 HydrophobicContact CG1-CB 4.04Å; I241-N252 WeakPolarHBondContact CG1-O 3.4Å; I241-N252 PolarHBondContact N-O 3.3Å; I241-G253 VanDerWaalsContact CG2-C 3.41Å; I241-F254 HydrophobicContact CG2-CB 4.25Å; I241-F254 HydrophobicContact CG2-CD1 4.32Å
242G96.2Very high96.9Very high18 Ų1845 Ų4519%0.18626%0.264CS..  trans95.9-164.617800000114.6D240D240-G242 VanDerWaalsContact C-N 3.32Å; D240-G242 WeakPolarHBondContact OD1-CA 3.41Å; D240-G242 PolarHBondContact OD1-N 3.09Å
243P95.9Very high96.9Very high116 Ų11642.2 Ų42.275%0.75325%0.246SC*.  trans-66.4151.5-174.828-34.7000112.1
244K96.3Very high96.9Very high39 Ų3941.9 Ų41.917%0.1724%0.243CC..  trans-132.6172.7-176.3-63.2178.5-63.2-72.60109.7W191 D246 F247 M250 N252W191-K244 HydrophobicContact CZ3-CD 4Å; W191-K244 HydrophobicContact CZ3-CG 4.19Å; K244-D246 VanDerWaalsContact C-N 3.28Å; K244-D246 WeakPolarHBondContact CB-O 3.47Å; K244-D246 WeakPolarHBondContact CE-O 3.41Å; K244-D246 PolarHBondContact O-N 3.03Å; K244-F247 VanDerWaalsContact CE-O 3.3Å; K244-F247 WeakPolarHBondContact CE-O 3.27Å; K244-F247 PolarHBondContact NZ-O 3.26Å; K244-M250 PolarHBondContact NZ-O 3.4Å; K244-N252 HydrophobicContact CD-CB 4.26Å; K244-N252 WeakPolarHBondContact CD-OD1 3.13Å; K244-N252 WeakPolarHBondContact CE-OD1 3.09Å; K244-N252 PolarHBondContact NZ-OD1 3.03Å
245M96.3Very high96.9Very high136 Ų13636.1 Ų36.167%0.6721%0.205SC*.SBendtrans-65-33.2173.8-175.8175.5-176.700112.7T428M245-T428 HydrophobicContact CE-CG2 3.83Å; M245-T428 HydrophobicContact CG-CG2 4.09Å
246D94.5Very high96.9Very high24 Ų2437.5 Ų37.513%0.12820%0.203CC..SBendtrans-156.7-168.4174.9-153-27.5000108.8K244 D248 S425 T428 K429K244-D246 VanDerWaalsContact C-N 3.28Å; K244-D246 WeakPolarHBondContact CB-O 3.47Å; K244-D246 WeakPolarHBondContact CE-O 3.41Å; K244-D246 PolarHBondContact O-N 3.03Å; D246-D248 VanDerWaalsContact C-N 3.34Å; D246-S425 VanDerWaalsContact OD2-O 3.12Å; D246-T428 WeakPolarHBondContact OD2-CB 3.43Å; D246-T428 PolarHBondContact OD2-OG1 3.37Å; D246-K429 PolarHBondContact OD2-N 3.48Å
247F94.4Very high96.9Very high25 Ų2536.9 Ų36.911%0.1120%0.2CC..  trans63.139.8-176.8-56.3-88.6000112.2K244 Q249 M250 K429 A432K244-F247 VanDerWaalsContact CE-O 3.3Å; K244-F247 WeakPolarHBondContact CE-O 3.27Å; K244-F247 PolarHBondContact NZ-O 3.26Å; F247-Q249 PolarHBondContact O-N 3.37Å; F247-Q249 VanDerWaalsContact O-N 3.12Å; F247-M250 HydrophobicContact CB-CB 4.26Å; F247-M250 HydrophobicContact CB-CG 4.35Å; F247-M250 HydrophobicContact CB-SD 4.36Å; F247-M250 HydrophobicContact CD1-SD 3.71Å; F247-M250 HydrophobicContact CE1-SD 4.47Å; F247-M250 HydrophobicContact CG-SD 4.4Å; F247-M250 PolarHBondContact O-N 3.35Å; F247-K429 HydrophobicContact CE1-CG 4.15Å; F247-K429 HydrophobicContact CE2-CG 4.29Å; F247-K429 HydrophobicContact CZ-CG 3.66Å; F247-A432 HydrophobicContact CD2-CB 4.44Å; F247-A432 HydrophobicContact CE2-CB 3.61Å; F247-A432 HydrophobicContact CZ-CB 4.42Å
248D92.9Very high96.9Very high49 Ų4936.9 Ų36.926%0.26220%0.201SC..THydrogen-bonded Turntrans-56.5-26.5174.2-69.6-44.5000112.6Q73 R76 D246 M250Q73-D248 HydrophobicContact CG-CB 4.11Å; Q73-D248 WeakPolarHBondContact CG-O 3.42Å; R76-D248 HydrophobicContact CB-CB 4.25Å; R76-D248 HydrophobicContact CG-CB 4.33Å; D246-D248 VanDerWaalsContact C-N 3.34Å; D248-M250 VanDerWaalsContact C-N 3.28Å; D248-M250 PolarHBondContact O-N 2.89Å
249Q93.9Very high96.9Very high9 Ų943 Ų434%0.04222%0.223CC..THydrogen-bonded Turntrans-76.2-10.5176.474.8-77.6-4.200114.6R76 A80 F247R76-Q249 HydrophobicContact CB-CB 4.4Å; A80-Q249 HydrophobicContact CB-CB 3.59Å; A80-Q249 HydrophobicContact CB-CG 4.07Å; F247-Q249 PolarHBondContact O-N 3.37Å; F247-Q249 VanDerWaalsContact O-N 3.12Å
250M94.8Very high96.9Very high12 Ų1243.1 Ų43.16%0.05922%0.221CC..SBendtrans-109.3132.8-178.5-62.6-174.366.200111.4N117 I118 K244 F247 D248 N252N117-M250 HydrophobicContact CB-CE 4.06Å; I118-M250 HydrophobicContact CD1-CE 4.16Å; I118-M250 HydrophobicContact CG1-CE 3.82Å; K244-M250 PolarHBondContact NZ-O 3.4Å; F247-M250 HydrophobicContact CB-CB 4.26Å; F247-M250 HydrophobicContact CB-CG 4.35Å; F247-M250 HydrophobicContact CB-SD 4.36Å; F247-M250 HydrophobicContact CD1-SD 3.71Å; F247-M250 HydrophobicContact CE1-SD 4.47Å; F247-M250 HydrophobicContact CG-SD 4.4Å; F247-M250 PolarHBondContact O-N 3.35Å; D248-M250 VanDerWaalsContact C-N 3.28Å; D248-M250 PolarHBondContact O-N 2.89Å; M250-N252 PolarHBondContact O-N 3.44Å
251D96.3Very high97Very high2 Ų245.5 Ų45.51%0.01123%0.226CC..  trans-91.968.4176.960.7-54.8000111.3Y77 D194 L195 G196 R197 S198 D240 G253Y77-D251 HydrophobicContact CD2-CB 4.32Å; Y77-D251 HydrophobicContact CE2-CB 4Å; Y77-D251 WeakPolarHBondContact CE2-OD1 3.5Å; D194-D251 WeakPolarHBondContact CA-OD1 3.4Å; D194-D251 PolarHBondContact N-O 3.16Å; L195-D251 PolarHBondContact N-O 3.47Å; G196-D251 PolarHBondContact N-O 2.99Å; R197-D251 VanDerWaalsContact CA-OD2 3.26Å; R197-D251 WeakPolarHBondContact CA-OD2 3.36Å; R197-D251 HydrophobicContact CB-CB 4.01Å; R197-D251 VanDerWaalsContact CB-OD2 3.3Å; R197-D251 WeakPolarHBondContact CB-OD2 3.45Å; R197-D251 HydrophobicContact CG-CB 3.92Å; R197-D251 PolarHBondContact N-OD2 3.15Å; S198-D251 WeakPolarHBondContact CB-OD2 3.46Å; S198-D251 PolarHBondContact N-OD2 3.2Å; S198-D251 VanDerWaalsContact OG-CG 3.23Å; S198-D251 PolarHBondContact OG-OD1 3.44Å; S198-D251 PolarHBondContact OG-OD2 3.3Å; D240-D251 WeakPolarHBondContact OD2-CA 3.34Å; D251-G253 PolarHBondContact O-N 2.69Å
252N98.5Very high97Very high21 Ų2144.2 Ų44.211%0.11222%0.219CC..  trans-58.1129.8171.2-61.288.8000110W191 P192 G193 I241 K244 M250W191-N252 PolarHBondContact O-ND2 3.36Å; P192-N252 WeakPolarHBondContact O-CA 3.44Å; G193-N252 WeakPolarHBondContact CA-ND2 3.37Å; G193-N252 PolarHBondContact N-ND2 2.68Å; I241-N252 HydrophobicContact CD1-CB 3.57Å; I241-N252 HydrophobicContact CG1-CB 4.04Å; I241-N252 WeakPolarHBondContact CG1-O 3.4Å; I241-N252 PolarHBondContact N-O 3.3Å; K244-N252 HydrophobicContact CD-CB 4.26Å; K244-N252 WeakPolarHBondContact CD-OD1 3.13Å; K244-N252 WeakPolarHBondContact CE-OD1 3.09Å; K244-N252 PolarHBondContact NZ-OD1 3.03Å; M250-N252 PolarHBondContact O-N 3.44Å
253G98.5Very high97.1Very high0 Ų045.5 Ų45.50%023%0.225CC..EExtended strand (participates in β ladder)trans-121.7170.6-169.700000115.2W191 P192 G239 I241 D251W191-G253 PolarHBondContact N-O 3.18Å; P192-G253 PolarHBondContact O-N 3.24Å; G239-G253 CarbonylContact O-C 3.51Å; G239-G253 WeakPolarHBondContact O-CA 3.22Å; I241-G253 VanDerWaalsContact CG2-C 3.41Å; D251-G253 PolarHBondContact O-N 2.69Å
254F98.8Very high97.2Very high51 Ų5143.5 Ų43.522%0.22420%0.202CC..EExtended strand (participates in β ladder)trans-110.4152.3163.166.2-96.9000110.9T188 K189 W190 I237 V238 G239 I241T188-F254 HydrophobicContact CG2-CB 3.91Å; K189-F254 CarbonylContact O-C 3.39Å; K189-F254 WeakPolarHBondContact O-CA 3.41Å; W190-F254 HydrophobicContact CD2-CB 4.46Å; W190-F254 HydrophobicContact CE3-CB 3.66Å; W190-F254 HydrophobicContact CZ3-CB 3.96Å; W190-F254 HydrophobicContact CZ3-CD1 4.43Å; W190-F254 HydrophobicContact CZ3-CG 4.41Å; I237-F254 HydrophobicContact CG2-CE2 4.13Å; V238-F254 WeakPolarHBondContact CA-O 3.34Å; V238-F254 WeakPolarHBondContact CG2-O 3.46Å; G239-F254 VanDerWaalsContact C-CE1 3.48Å; G239-F254 PolarHBondContact N-O 3.31Å; G239-F254 WeakPolarHBondContact O-CD1 3.41Å; G239-F254 PolarHBondContact O-N 3.4Å; I241-F254 HydrophobicContact CG2-CB 4.25Å; I241-F254 HydrophobicContact CG2-CD1 4.32Å
255L98.9Very high97.3Very high0 Ų045.9 Ų45.90%021%0.214CC..EExtended strand (participates in β ladder)trans-144.6123.6176.5169.372.7000110.9K189 L195 A202 V204 I224 I236 I237 V238 L257K189-L255 HydrophobicContact CB-CB 4.06Å; K189-L255 PolarHBondContact N-O 2.95Å; K189-L255 PolarHBondContact O-N 3.21Å; L195-L255 HydrophobicContact CD1-CB 4.13Å; L195-L255 HydrophobicContact CD1-CD2 4.31Å; L195-L255 HydrophobicContact CD2-CB 3.79Å; L195-L255 HydrophobicContact CG-CB 4.4Å; A202-L255 HydrophobicContact CB-CD2 4.17Å; V204-L255 HydrophobicContact CG2-CD2 4.24Å; I224-L255 HydrophobicContact CG2-CD1 3.96Å; I224-L255 HydrophobicContact CG2-CD2 4.01Å; I236-L255 HydrophobicContact CG2-CD1 3.62Å; I237-L255 WeakPolarHBondContact O-CA 3.4Å; V238-L255 HydrophobicContact CB-CD1 4.21Å; L255-L257 HydrophobicContact CD1-CD2 3.93Å; L255-L257 HydrophobicContact CD1-CG 4.49Å; L255-L257 HydrophobicContact CD2-CD1 4.44Å; L255-L257 HydrophobicContact CD2-CD2 4.2Å; L255-L257 HydrophobicContact CD2-CG 4.41Å; L255-L257 HydrophobicContact CG-CD2 4.09Å; L255-L257 HydrophobicContact CG-CG 4.18Å
256Q98.8Very high97.4Very high59 Ų5939.7 Ų39.728%0.27618%0.183SC..EExtended strand (participates in β ladder)trans-111.3139.1168.2-63.8-177.4-4.300110.2T188 I237T188-Q256 HydrophobicContact CG2-CG 3.65Å; T188-Q256 VanDerWaalsContact OG1-CG 3.29Å; T188-Q256 WeakPolarHBondContact OG1-CG 3.48Å; T188-Q256 PolarHBondContact OG1-NE2 2.95Å; I237-Q256 HydrophobicContact CB-CB 4.21Å; I237-Q256 PolarHBondContact N-O 3.35Å; I237-Q256 VanDerWaalsContact N-O 3.09Å; I237-Q256 PolarHBondContact O-N 2.84Å
257L98.9Very high97.6Very high3 Ų338.8 Ų38.82%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-118.7121.6-177.8-60.3167.5000109.2T167 I180 H181 S182 V204 V222 I236 L255 V260T167-L257 HydrophobicContact CG2-CD1 4.47Å; I180-L257 HydrophobicContact CB-CD1 4.47Å; I180-L257 HydrophobicContact CG2-CB 4.46Å; I180-L257 HydrophobicContact CG2-CD1 3.52Å; H181-L257 CarbonylContact C-O 3.55Å; H181-L257 WeakPolarHBondContact CA-O 3.39Å; H181-L257 PolarHBondContact ND1-O 3Å; S182-L257 PolarHBondContact N-O 2.89Å; S182-L257 PolarHBondContact OG-N 3.18Å; V204-L257 HydrophobicContact CG1-CD1 3.96Å; V204-L257 HydrophobicContact CG2-CD1 4.09Å; V222-L257 HydrophobicContact CG1-CD2 4.29Å; I236-L257 HydrophobicContact CG1-CD2 3.85Å; L255-L257 HydrophobicContact CD1-CD2 3.93Å; L255-L257 HydrophobicContact CD1-CG 4.49Å; L255-L257 HydrophobicContact CD2-CD1 4.44Å; L255-L257 HydrophobicContact CD2-CD2 4.2Å; L255-L257 HydrophobicContact CD2-CG 4.41Å; L255-L257 HydrophobicContact CG-CD2 4.09Å; L255-L257 HydrophobicContact CG-CG 4.18Å; L257-V260 HydrophobicContact CB-CG2 4.17Å; L257-V260 HydrophobicContact CD2-CB 4.44Å; L257-V260 HydrophobicContact CD2-CG2 3.93Å
258N98.7Very high97.8Very high97 Ų9738 Ų3852%0.51918%0.175SC..SBendtrans-109.893.5178.5-172.224.3000109.9G235 V260G235-N258 PolarHBondContact O-N 2.93Å; N258-V260 PolarHBondContact O-N 3.4Å
259Y98.6Very high97.9Very high149 Ų14936.6 Ų36.658%0.58417%0.17SC*.SBendtrans46.844.3-179.4-58.5-77.2000114.1V179 I180 H181 R261V179-Y259 HydrophobicContact CG1-CD1 3.81Å; V179-Y259 HydrophobicContact CG1-CG 4.36Å; I180-Y259 CarbonylContact O-C 3.55Å; I180-Y259 WeakPolarHBondContact O-CA 3.49Å; I180-Y259 PolarHBondContact O-N 3.31Å; H181-Y259 HydrophobicContact CB-CD1 4.21Å; H181-Y259 HydrophobicContact CB-CE1 4.35Å; H181-Y259 AromaticContact CD2-CE1 3.85Å; H181-Y259 AromaticContact CD2-CZ 3.74Å; H181-Y259 AromaticContact CE1-CE2 3.89Å; H181-Y259 AromaticContact NE2-CE2 3.94Å; H181-Y259 AromaticContact NE2-CZ 3.71Å; Y259-R261 PolarHBondContact O-N 3.14Å
260V98.8Very high98Very high15 Ų1538 Ų389%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-72.6127.4-178.91770000109.6I180 V222 I236 L257 N258I180-V260 PolarHBondContact N-O 3.06Å; I180-V260 PolarHBondContact O-N 2.89Å; V222-V260 HydrophobicContact CG1-CG1 3.94Å; I236-V260 HydrophobicContact CD1-CG2 4.4Å; I236-V260 HydrophobicContact CG1-CG2 4.01Å; L257-V260 HydrophobicContact CB-CG2 4.17Å; L257-V260 HydrophobicContact CD2-CB 4.44Å; L257-V260 HydrophobicContact CD2-CG2 3.93Å; N258-V260 PolarHBondContact O-N 3.4Å
261R98.7Very high98Very high101 Ų10137.8 Ų37.838%0.38117%0.173SC..EExtended strand (participates in β ladder)trans-94.7133.9-179.6-60.8-167.5130.2-134.7-7.1111.8D172 T175 E177 F178 V179 Y259D172-R261 IonicContact OD2-CZ 2.78Å; D172-R261 IonicContact OD2-NH1 2.58Å; D172-R261 IonicContact OD2-NH2 2.65Å; D172-R261 PolarHBondContact OD2-NH2 3.39Å; T175-R261 VanDerWaalsContact CG2-NH1 3.34Å; T175-R261 PolarHBondContact OG1-NH1 3.34Å; E177-R261 IonicContact OE2-CZ 3.22Å; E177-R261 IonicContact OE2-NE 3.94Å; E177-R261 IonicContact OE2-NH1 3.74Å; E177-R261 PolarHBondContact OE2-NH1 3.13Å; F178-R261 WeakPolarHBondContact O-CA 3.5Å; V179-R261 HydrophobicContact CG2-CG 4.37Å; Y259-R261 PolarHBondContact O-N 3.14Å
262V98.7Very high97.9Very high2 Ų237.8 Ų37.81%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-132.4147.3171.1-61.20000111E177 F178 I180 V222 N266E177-V262 CarbonylContact C-O 3.55Å; E177-V262 VanDerWaalsContact CA-O 3.22Å; E177-V262 WeakPolarHBondContact CA-O 3.49Å; E177-V262 WeakPolarHBondContact CB-O 3.37Å; F178-V262 HydrophobicContact CB-CG2 3.93Å; F178-V262 PolarHBondContact N-O 3.2Å; F178-V262 PolarHBondContact O-N 3.28Å; I180-V262 HydrophobicContact CD1-CG1 4.38Å; I180-V262 HydrophobicContact CD1-CG2 3.7Å; I180-V262 HydrophobicContact CG1-CG2 4.38Å; V222-V262 HydrophobicContact CB-CG1 4.45Å; V222-V262 HydrophobicContact CG1-CG1 4.2Å; V222-V262 HydrophobicContact CG2-CG1 4.25Å; V262-N266 HydrophobicContact CB-CB 4.08Å; V262-N266 HydrophobicContact CG2-CB 4.08Å
263P98.5Very high97.8Very high46 Ų4640 Ų4030%0.29918%0.183SC..EExtended strand (participates in β ladder)trans-57.4152.4176-26.335.3000113.3E265 N266P263-E265 HydrophobicContact CB-CG 4.18Å; P263-E265 WeakPolarHBondContact CB-OE1 3.44Å; P263-E265 VanDerWaalsContact CB-OE2 3.29Å; P263-E265 WeakPolarHBondContact CB-OE2 3.22Å; P263-E265 PolarHBondContact O-N 3.46Å; P263-E265 VanDerWaalsContact O-N 3.16Å; P263-N266 VanDerWaalsContact O-CB 3.31Å; P263-N266 WeakPolarHBondContact O-CB 3.29Å; P263-N266 PolarHBondContact O-N 3.18Å
264R98.2Very high97.7Very high73 Ų7340.2 Ų40.228%0.27519%0.185SC..G310 helixtrans-51.6-38.7177.2-174.8179.267.381.27.5112.8Y171 Q176 F178 N266 M267 V274Y171-R264 HydrophobicContact CE2-CB 4.08Å; Y171-R264 HydrophobicContact CE2-CG 3.78Å; Y171-R264 WeakPolarHBondContact OH-CD 3.39Å; Q176-R264 HydrophobicContact CB-CB 4.49Å; Q176-R264 VanDerWaalsContact O-CB 3.31Å; Q176-R264 WeakPolarHBondContact O-CB 3.42Å; Q176-R264 PolarHBondContact O-N 3.09Å; F178-R264 HydrophobicContact CE2-CB 4.43Å; F178-R264 HydrophobicContact CE2-CG 4.23Å; F178-R264 WeakPolarHBondContact CE2-O 3.42Å; R264-N266 PolarHBondContact O-N 3.18Å; R264-N266 VanDerWaalsContact O-N 3.14Å; R264-M267 PolarHBondContact O-N 2.99Å; R264-V274 WeakPolarHBondContact CD-O 3.48Å; R264-V274 PolarHBondContact NH1-O 2.78Å
265E97.6Very high97.6Very high90 Ų9040.5 Ų40.542%0.42119%0.188SC..G310 helixtrans-69-6179.666.1-88.5-162.200114.7Q134 P263 M267Q134-E265 PolarHBondContact NE2-O 3.04Å; P263-E265 HydrophobicContact CB-CG 4.18Å; P263-E265 WeakPolarHBondContact CB-OE1 3.44Å; P263-E265 VanDerWaalsContact CB-OE2 3.29Å; P263-E265 WeakPolarHBondContact CB-OE2 3.22Å; P263-E265 PolarHBondContact O-N 3.46Å; P263-E265 VanDerWaalsContact O-N 3.16Å; E265-M267 VanDerWaalsContact C-N 3.33Å
266N98.5Very high97.5Very high5 Ų543.3 Ų43.33%0.02721%0.207CC..G310 helixtrans-81-12.1175.4-73.728.5000113.1F220 I221 V262 P263 R264F220-N266 CarbonylContact C-O 3.51Å; F220-N266 WeakPolarHBondContact CA-O 3.36Å; I221-N266 HydrophobicContact CB-CB 4.44Å; I221-N266 PolarHBondContact N-O 3.46Å; I221-N266 WeakPolarHBondContact O-CB 3.16Å; I221-N266 PolarHBondContact O-ND2 3.05Å; V262-N266 HydrophobicContact CB-CB 4.08Å; V262-N266 HydrophobicContact CG2-CB 4.08Å; P263-N266 VanDerWaalsContact O-CB 3.31Å; P263-N266 WeakPolarHBondContact O-CB 3.29Å; P263-N266 PolarHBondContact O-N 3.18Å; R264-N266 PolarHBondContact O-N 3.18Å; R264-N266 VanDerWaalsContact O-N 3.14Å
267M98.3Very high97.3Very high5 Ų545.5 Ų45.53%0.02522%0.22CC..BIsolated β-bridgetrans-78.9118.6170.2178-175.6154.100110.3Q134 F178 L208 H218 A219 F220 R264 E265 S269 A272 V274Q134-M267 PolarHBondContact NE2-O 3.44Å; F178-M267 HydrophobicContact CD2-CB 4.24Å; F178-M267 HydrophobicContact CE1-SD 4.26Å; F178-M267 HydrophobicContact CE2-CB 3.5Å; F178-M267 HydrophobicContact CE2-CG 4.39Å; F178-M267 HydrophobicContact CE2-SD 4.16Å; F178-M267 HydrophobicContact CZ-CB 3.94Å; F178-M267 HydrophobicContact CZ-CG 4.36Å; F178-M267 HydrophobicContact CZ-SD 3.57Å; F178-M267 VanDerWaalsContact CZ-SD 3.57Å; L208-M267 HydrophobicContact CD1-SD 4.43Å; L208-M267 HydrophobicContact CD2-CE 3.85Å; L208-M267 HydrophobicContact CD2-SD 4.04Å; H218-M267 HydrophobicContact CB-CE 4.33Å; H218-M267 VanDerWaalsContact CD2-CE 3.41Å; H218-M267 WeakPolarHBondContact CD2-CE 3.49Å; A219-M267 WeakPolarHBondContact O-CA 3.27Å; F220-M267 HydrophobicContact CD1-CB 3.72Å; F220-M267 HydrophobicContact CD1-CG 4.15Å; F220-M267 HydrophobicContact CE1-CB 3.6Å; F220-M267 HydrophobicContact CE1-CG 3.68Å; F220-M267 HydrophobicContact CE1-SD 4.05Å; F220-M267 HydrophobicContact CZ-CG 4.11Å; F220-M267 HydrophobicContact CZ-SD 4.26Å; R264-M267 PolarHBondContact O-N 2.99Å; E265-M267 VanDerWaalsContact C-N 3.33Å; M267-S269 PolarHBondContact O-N 3.18Å; M267-A272 HydrophobicContact CE-CB 4.25Å; M267-V274 HydrophobicContact CE-CG2 4.25Å; M267-V274 HydrophobicContact SD-CG2 3.8Å
268L98.1Very high97.1Very high8 Ų845.5 Ų45.54%0.04222%0.221CC..  trans-63.1127.2179.3-62.7-169.9000111.5L126 L129 L203 A219 I221L126-L268 HydrophobicContact CD1-CD2 3.89Å; L129-L268 HydrophobicContact CB-CB 3.88Å; L129-L268 HydrophobicContact CB-CD1 3.71Å; L129-L268 HydrophobicContact CB-CG 4.47Å; L129-L268 HydrophobicContact CD1-CD1 4.5Å; L129-L268 CarbonylContact O-C 3.38Å; L203-L268 HydrophobicContact CD1-CD1 3.63Å; L203-L268 HydrophobicContact CD1-CG 3.96Å; L203-L268 HydrophobicContact CD2-CD1 3.95Å; L203-L268 HydrophobicContact CG-CD1 4.45Å; A219-L268 HydrophobicContact CB-CB 4.35Å; A219-L268 HydrophobicContact CB-CD1 4.13Å; A219-L268 HydrophobicContact CB-CG 4.28Å; A219-L268 PolarHBondContact O-N 2.98Å; I221-L268 HydrophobicContact CD1-CD2 3.92Å; I221-L268 HydrophobicContact CG1-CD2 4.33Å
269S96.5Very high97Very high21 Ų2143.8 Ų43.815%0.14721%0.214CC..  trans-12415.3-154.971.10000117.1L129 Q134 M267 F271 A272 Q273L129-S269 PolarHBondContact O-N 3.08Å; Q134-S269 PolarHBondContact OE1-OG 3.07Å; Q134-S269 VanDerWaalsContact OE1-OG 3.13Å; M267-S269 PolarHBondContact O-N 3.18Å; S269-F271 PolarHBondContact O-N 3.18Å; S269-A272 CarbonylContact C-O 3.54Å; S269-A272 WeakPolarHBondContact CA-O 3.43Å; S269-Q273 WeakPolarHBondContact O-CG 2.96Å; S269-Q273 PolarHBondContact O-NE2 2.98Å
270R95.9Very high96.9Very high39 Ų3939.2 Ų39.215%0.14720%0.196CC..SBendtrans-62.9-41.5-179.6-175172.7-67.3-104.4-7.3113.3S128 L129 G130 E132 I135S128-R270 WeakPolarHBondContact O-CD 3.48Å; L129-R270 WeakPolarHBondContact O-CB 3.37Å; L129-R270 PolarHBondContact O-N 3.27Å; G130-R270 PolarHBondContact O-NE 3.08Å; G130-R270 PolarHBondContact O-NH2 2.76Å; E132-R270 IonicContact OE1-CZ 3.19Å; E132-R270 IonicContact OE1-NH1 3.22Å; E132-R270 IonicContact OE1-NH2 3.85Å; E132-R270 PolarHBondContact OE1-NH2 3.44Å; I135-R270 VanDerWaalsContact CD1-NH2 3.32Å
271F95.1Very high96.7Very high6 Ų641.2 Ų41.23%0.02621%0.206CC..SBendtrans-112.4-7.3-174-59.8-60.5000114.5S128 L129 S269 L283 G284 L291 I375 F380S128-F271 WeakPolarHBondContact O-CE2 3.43Å; L129-F271 HydrophobicContact CD2-CD2 3.93Å; L129-F271 HydrophobicContact CD2-CE2 4.16Å; S269-F271 PolarHBondContact O-N 3.18Å; F271-L283 CarbonylContact O-C 3.56Å; F271-L283 WeakPolarHBondContact O-CA 3.12Å; F271-L283 PolarHBondContact O-N 3.43Å; F271-G284 PolarHBondContact O-N 2.92Å; F271-L291 HydrophobicContact CE2-CD2 4.05Å; F271-L291 HydrophobicContact CZ-CD2 4.22Å; F271-I375 HydrophobicContact CZ-CG2 4.1Å; F271-F380 HydrophobicContact CD1-CZ 4.12Å; F271-F380 HydrophobicContact CE1-CE1 4.12Å; F271-F380 AromaticContact CE1-CZ 3.95Å; F271-F380 HydrophobicContact CE1-CZ 3.95Å
272A94.5Very high96.4Very high3 Ų342.3 Ų42.33%0.02521%0.213CC..EExtended strand (participates in β ladder)trans-155.4146.9175.300000109.9H218 M267 S269 Y280 I281H218-A272 WeakPolarHBondContact NE2-CB 3.39Å; M267-A272 HydrophobicContact CE-CB 4.25Å; S269-A272 CarbonylContact C-O 3.54Å; S269-A272 WeakPolarHBondContact CA-O 3.43Å; A272-Y280 HydrophobicContact CB-CE2 3.9Å; A272-Y280 WeakPolarHBondContact CB-OH 3.23Å; A272-I281 CarbonylContact C-O 3.55Å; A272-I281 VanDerWaalsContact CA-O 3.26Å; A272-I281 WeakPolarHBondContact CA-O 3.39Å
273Q94.8Very high96.1Very high66 Ų6644.3 Ų44.331%0.30822%0.224SC..EExtended strand (participates in β ladder)trans-137.3148.8-177.9-53.2-170-15.600110.7S269 Y280 I281 L283S269-Q273 WeakPolarHBondContact O-CG 2.96Å; S269-Q273 PolarHBondContact O-NE2 2.98Å; Q273-Y280 WeakPolarHBondContact O-CA 3.28Å; Q273-I281 HydrophobicContact CB-CB 4.38Å; Q273-I281 PolarHBondContact N-O 3.16Å; Q273-I281 PolarHBondContact O-N 2.72Å; Q273-L283 HydrophobicContact CG-CD1 3.85Å
274V97.1Very high95.6Very high6 Ų642.9 Ų42.94%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-115.4119.1166.2179.60000107.3Y171 F178 L208 R264 M267 T279 Y280Y171-V274 HydrophobicContact CD1-CG1 3.81Å; Y171-V274 HydrophobicContact CD2-CG1 3.98Å; Y171-V274 HydrophobicContact CE1-CG1 3.93Å; Y171-V274 HydrophobicContact CE2-CG1 4.09Å; Y171-V274 HydrophobicContact CG-CG1 3.83Å; F178-V274 HydrophobicContact CE1-CG2 4.36Å; F178-V274 HydrophobicContact CZ-CB 4.08Å; F178-V274 HydrophobicContact CZ-CG1 4.44Å; F178-V274 HydrophobicContact CZ-CG2 4.05Å; L208-V274 HydrophobicContact CD1-CG2 4.31Å; L208-V274 HydrophobicContact CD2-CG2 3.94Å; R264-V274 WeakPolarHBondContact CD-O 3.48Å; R264-V274 PolarHBondContact NH1-O 2.78Å; M267-V274 HydrophobicContact CE-CG2 4.25Å; M267-V274 HydrophobicContact SD-CG2 3.8Å; V274-T279 WeakPolarHBondContact CA-O 3.42Å; V274-Y280 HydrophobicContact CG2-CD2 4.17Å
275L96.6Very high95.1Very high57 Ų5741.5 Ų41.530%0.29822%0.217SC..  trans-73.2162.7176.3-66-169000111Y171 D277 G278 T279 I281Y171-L275 PolarHBondContact OH-O 2.75Å; L275-D277 WeakPolarHBondContact CB-OD1 3.37Å; L275-D277 PolarHBondContact O-N 2.94Å; L275-D277 VanDerWaalsContact O-N 3.16Å; L275-G278 PolarHBondContact O-N 3.34Å; L275-T279 HydrophobicContact CD1-CG2 4.25Å; L275-T279 PolarHBondContact N-O 3.11Å; L275-I281 HydrophobicContact CD1-CD1 3.87Å; L275-I281 HydrophobicContact CD2-CD1 3.91Å; L275-I281 HydrophobicContact CG-CD1 3.84Å; L275-I281 HydrophobicContact CG-CG1 4.41Å
276P96.8Very high94.3Very high59 Ų5940.1 Ų40.138%0.38322%0.221SC..THydrogen-bonded Turntrans-52.4-35.7179.5-30.237.5000114.6Y171 G278Y171-P276 WeakPolarHBondContact OH-CA 3.42Å; Y171-P276 PolarHBondContact OH-O 3.19Å; P276-G278 PolarHBondContact O-N 3.36Å
277D95.3Very high93.7Very high104 Ų10445.4 Ų45.456%0.55625%0.245SC*.THydrogen-bonded Turntrans-75.9-5.6177.868.6-15.9000114.1L275 T279L275-D277 WeakPolarHBondContact CB-OD1 3.37Å; L275-D277 PolarHBondContact O-N 2.94Å; L275-D277 VanDerWaalsContact O-N 3.16Å; D277-T279 VanDerWaalsContact CG-OG1 3.25Å; D277-T279 WeakPolarHBondContact OD1-CB 3.38Å; D277-T279 PolarHBondContact OD1-N 3.19Å; D277-T279 PolarHBondContact OD1-OG1 3.12Å; D277-T279 VanDerWaalsContact OD1-OG1 3.12Å; D277-T279 PolarHBondContact OD2-OG1 2.97Å
278G94.9Very high93.1Very high3 Ų345.2 Ų45.23%0.03124%0.244CC..  trans93.4-0.4-176.600000114.7S211 L275 P276 Y280S211-G278 PolarHBondContact OG-O 3.25Å; L275-G278 PolarHBondContact O-N 3.34Å; P276-G278 PolarHBondContact O-N 3.36Å; G278-Y280 PolarHBondContact O-N 3.17Å
279T95.8Very high92.6Very high62 Ų6246.1 Ų46.138%0.3825%0.249SC..  trans-62.7124.7177.5-65.90000110.8V274 L275 D277V274-T279 WeakPolarHBondContact CA-O 3.42Å; L275-T279 HydrophobicContact CD1-CG2 4.25Å; L275-T279 PolarHBondContact N-O 3.11Å; D277-T279 VanDerWaalsContact CG-OG1 3.25Å; D277-T279 WeakPolarHBondContact OD1-CB 3.38Å; D277-T279 PolarHBondContact OD1-N 3.19Å; D277-T279 PolarHBondContact OD1-OG1 3.12Å; D277-T279 VanDerWaalsContact OD1-OG1 3.12Å; D277-T279 PolarHBondContact OD2-OG1 2.97Å
280Y96.3Very high92.2Very high53 Ų5348.2 Ų48.221%0.20825%0.254CS..EExtended strand (participates in β ladder)trans-91.4125.7178.2179-100.7000111.7L208 R215 H218 A272 Q273 V274 G278 K282L208-Y280 HydrophobicContact CD2-CD2 3.81Å; L208-Y280 HydrophobicContact CD2-CE2 3.67Å; R215-Y280 HydrophobicContact CB-CD2 4.36Å; R215-Y280 HydrophobicContact CB-CE1 4.5Å; R215-Y280 HydrophobicContact CB-CE2 4.08Å; R215-Y280 HydrophobicContact CG-CD1 4.3Å; R215-Y280 HydrophobicContact CG-CD2 4.06Å; R215-Y280 HydrophobicContact CG-CE1 4.5Å; R215-Y280 HydrophobicContact CG-CE2 4.28Å; R215-Y280 HydrophobicContact CG-CG 4.06Å; H218-Y280 PolarHBondContact CE1-OH 3.4Å; H218-Y280 AromaticContact NE2-CE2 3.89Å; H218-Y280 PolarHBondContact NE2-OH 3.4Å; A272-Y280 HydrophobicContact CB-CE2 3.9Å; A272-Y280 WeakPolarHBondContact CB-OH 3.23Å; Q273-Y280 WeakPolarHBondContact O-CA 3.28Å; V274-Y280 HydrophobicContact CG2-CD2 4.17Å; G278-Y280 PolarHBondContact O-N 3.17Å; Y280-K282 HydrophobicContact CE1-CB 4.05Å
281I94.8Very high92Very high57 Ų5746.5 Ų46.529%0.29225%0.248SC..EExtended strand (participates in β ladder)trans-115.2126.1177.5-57178.2000109.1A272 Q273 L275 L283A272-I281 CarbonylContact C-O 3.55Å; A272-I281 VanDerWaalsContact CA-O 3.26Å; A272-I281 WeakPolarHBondContact CA-O 3.39Å; Q273-I281 HydrophobicContact CB-CB 4.38Å; Q273-I281 PolarHBondContact N-O 3.16Å; Q273-I281 PolarHBondContact O-N 2.72Å; L275-I281 HydrophobicContact CD1-CD1 3.87Å; L275-I281 HydrophobicContact CD2-CD1 3.91Å; L275-I281 HydrophobicContact CG-CD1 3.84Å; L275-I281 HydrophobicContact CG-CG1 4.41Å; I281-L283 HydrophobicContact CG2-CD2 3.79Å; I281-L283 HydrophobicContact CG2-CG 4.14Å
282K93.1Very high91.9Very high124 Ų12446.3 Ų46.354%0.53925%0.247SC..EExtended strand (participates in β ladder)trans-99124.1173.6-174.8178.2177.51800109.9Y280 G284Y280-K282 HydrophobicContact CE1-CB 4.05Å; K282-G284 WeakPolarHBondContact CE-O 3.5Å
283L90.7Very high91.7Very high44 Ų4447.1 Ų47.123%0.2325%0.251CS..  trans-113.6-13.9-177.7-60.3174.1000113.6F271 Q273 I281F271-L283 CarbonylContact O-C 3.56Å; F271-L283 WeakPolarHBondContact O-CA 3.12Å; F271-L283 PolarHBondContact O-N 3.43Å; Q273-L283 HydrophobicContact CG-CD1 3.85Å; I281-L283 HydrophobicContact CG2-CD2 3.79Å; I281-L283 HydrophobicContact CG2-CG 4.14Å
284G88.8Confident91.6Very high15 Ų1544.2 Ų44.216%0.15524%0.238CC..SBendtrans-125.4-161.6177.700000113.6F271 K282F271-G284 PolarHBondContact O-N 2.92Å; K282-G284 WeakPolarHBondContact CE-O 3.5Å
285T87.5Confident91.4Very high45 Ų4544.2 Ų44.228%0.27624%0.238SC..  trans-90.3167.4172.9690000110.4Q287 S288 F380T285-Q287 PolarHBondContact O-N 2.98Å; T285-Q287 PolarHBondContact OG1-N 3.41Å; T285-S288 PolarHBondContact N-OG 2.66Å; T285-S288 WeakPolarHBondContact O-CB 3.49Å; T285-S288 PolarHBondContact O-N 2.88Å; T285-S288 PolarHBondContact O-OG 3.15Å; T285-S288 PolarHBondContact OG1-N 2.91Å; T285-S288 PolarHBondContact OG1-OG 3.25Å; T285-S288 VanDerWaalsContact OG1-OG 3.06Å; T285-F380 HydrophobicContact CG2-CB 4.09Å; T285-F380 HydrophobicContact CG2-CD1 4.22Å; T285-F380 HydrophobicContact CG2-CD2 3.76Å; T285-F380 HydrophobicContact CG2-CE2 4.23Å; T285-F380 HydrophobicContact CG2-CG 3.75Å
286A80.3Confident91.2Very high61 Ų6142.2 Ų42.250%0.50423%0.228SC..THydrogen-bonded Turntrans-62.1-25.4173.900000112.1
287Q86.1Confident91.1Very high116 Ų11639.8 Ų39.854%0.54221%0.211SC..THydrogen-bonded Turntrans-80.8-15.2-179.2-65.876.57.400112.9T285 N289 Y290 L383T285-Q287 PolarHBondContact O-N 2.98Å; T285-Q287 PolarHBondContact OG1-N 3.41Å; Q287-N289 VanDerWaalsContact C-N 3.28Å; Q287-N289 PolarHBondContact O-N 3.34Å; Q287-Y290 WeakPolarHBondContact O-CD2 3.49Å; Q287-Y290 PolarHBondContact O-N 3.37Å; Q287-Y290 VanDerWaalsContact O-N 3.12Å; Q287-L383 HydrophobicContact CB-CD2 3.94Å
288S86.9Confident91Very high1 Ų134.9 Ų34.91%0.00719%0.185CC..G310 helixtrans-62.4-32.2-176.3-59.20000113.1T285 Y290 L291 F380T285-S288 PolarHBondContact N-OG 2.66Å; T285-S288 WeakPolarHBondContact O-CB 3.49Å; T285-S288 PolarHBondContact O-N 2.88Å; T285-S288 PolarHBondContact O-OG 3.15Å; T285-S288 PolarHBondContact OG1-N 2.91Å; T285-S288 PolarHBondContact OG1-OG 3.25Å; T285-S288 VanDerWaalsContact OG1-OG 3.06Å; S288-Y290 PolarHBondContact O-N 3.07Å; S288-L291 WeakPolarHBondContact O-CB 3.38Å; S288-L291 PolarHBondContact O-N 3.32Å; S288-L291 VanDerWaalsContact O-N 3.12Å; S288-F380 WeakPolarHBondContact OG-CE1 3.34Å
289N86.6Confident90.9Very high26 Ų2638 Ų3814%0.13920%0.199CC..G310 helixtrans-68.8-15.1179-70-6.6000113.4M217 H218 Q287M217-N289 HydrophobicContact CE-CB 4.5Å; M217-N289 PolarHBondContact O-ND2 3.36Å; H218-N289 PolarHBondContact NE2-ND2 3.12Å; Q287-N289 VanDerWaalsContact C-N 3.28Å; Q287-N289 PolarHBondContact O-N 3.34Å
290Y89.1Confident90.9Very high65 Ų6535.7 Ų35.726%0.25518%0.184SC..G310 helixtrans-90.8-0.2176.1-55.8-89.5000112.9L162 M217 Q287 S288 P292 M293 V294L162-Y290 HydrophobicContact CB-CE1 3.98Å; L162-Y290 HydrophobicContact CD1-CD1 3.81Å; L162-Y290 HydrophobicContact CD1-CE1 3.48Å; L162-Y290 VanDerWaalsContact CD1-CE1 3.48Å; L162-Y290 HydrophobicContact CG-CE1 4.35Å; M217-Y290 HydrophobicContact CE-CD1 4.1Å; M217-Y290 HydrophobicContact CE-CE1 3.83Å; Q287-Y290 WeakPolarHBondContact O-CD2 3.49Å; Q287-Y290 PolarHBondContact O-N 3.37Å; Q287-Y290 VanDerWaalsContact O-N 3.12Å; S288-Y290 PolarHBondContact O-N 3.07Å; Y290-P292 VanDerWaalsContact C-CD 3.43Å; Y290-P292 VanDerWaalsContact C-N 3.34Å; Y290-M293 HydrophobicContact CD1-SD 4.1Å; Y290-M293 WeakPolarHBondContact O-CB 3.36Å; Y290-M293 PolarHBondContact O-N 3.25Å; Y290-V294 PolarHBondContact O-N 2.67Å
291L90.9Very high90.9Very high3 Ų333.2 Ų33.22%0.01617%0.174CC..Hα-helixtrans-52.9-43.1-178.4-175.261.8000113.4F271 S288 M293 V294 V295 Y372 I375F271-L291 HydrophobicContact CE2-CD2 4.05Å; F271-L291 HydrophobicContact CZ-CD2 4.22Å; S288-L291 WeakPolarHBondContact O-CB 3.38Å; S288-L291 PolarHBondContact O-N 3.32Å; S288-L291 VanDerWaalsContact O-N 3.12Å; L291-M293 VanDerWaalsContact C-N 3.25Å; L291-M293 PolarHBondContact O-N 2.91Å; L291-V294 WeakPolarHBondContact O-CB 3.3Å; L291-V294 PolarHBondContact O-N 3.04Å; L291-V295 WeakPolarHBondContact O-CG2 3.07Å; L291-V295 PolarHBondContact O-N 3.25Å; L291-V295 VanDerWaalsContact O-N 3.1Å; L291-Y372 HydrophobicContact CD1-CD2 4.05Å; L291-Y372 HydrophobicContact CD1-CE2 4.28Å; L291-Y372 HydrophobicContact CD2-CD2 4.24Å; L291-Y372 HydrophobicContact CD2-CE2 3.83Å; L291-Y372 HydrophobicContact CG-CD2 4.31Å; L291-Y372 HydrophobicContact CG-CE2 4.02Å; L291-I375 HydrophobicContact CD1-CD1 4.09Å; L291-I375 HydrophobicContact CD1-CG2 4.19Å; L291-I375 HydrophobicContact CD2-CG2 3.67Å
292P92.1Very high90.9Very high2 Ų232.8 Ų32.81%0.01317%0.173CC..Hα-helixtrans-55.8-38.6176.8-26.335.4000113.6A125 L129 Y290 V294 V295 V296A125-P292 HydrophobicContact CB-CB 3.79Å; A125-P292 HydrophobicContact CB-CG 3.91Å; L129-P292 HydrophobicContact CD1-CG 3.54Å; L129-P292 HydrophobicContact CD2-CG 4.23Å; L129-P292 HydrophobicContact CG-CG 3.62Å; Y290-P292 VanDerWaalsContact C-CD 3.43Å; Y290-P292 VanDerWaalsContact C-N 3.34Å; P292-V294 VanDerWaalsContact C-N 3.31Å; P292-V294 PolarHBondContact O-N 3.32Å; P292-V295 WeakPolarHBondContact O-CB 3.31Å; P292-V295 PolarHBondContact O-N 3.33Å; P292-V296 WeakPolarHBondContact O-CG2 3.47Å; P292-V296 PolarHBondContact O-N 3.13Å
293M91.2Very high90.9Very high21 Ų2128.7 Ų28.710%0.10317%0.165CC..Hα-helixtrans-64.9-37177.9-62.4179.16700111.4L162 Y290 L291 R297L162-M293 HydrophobicContact CD1-CE 4.35Å; L162-M293 HydrophobicContact CD1-SD 3.77Å; Y290-M293 HydrophobicContact CD1-SD 4.1Å; Y290-M293 WeakPolarHBondContact O-CB 3.36Å; Y290-M293 PolarHBondContact O-N 3.25Å; L291-M293 VanDerWaalsContact C-N 3.25Å; L291-M293 PolarHBondContact O-N 2.91Å; M293-R297 WeakPolarHBondContact O-CB 3.44Å; M293-R297 PolarHBondContact O-N 3.17Å
294V92.8Very high91.1Very high4 Ų428.4 Ų28.42%0.02416%0.163CC..Hα-helixtrans-65.2-42.4175.9-177.70000110.6Y290 L291 P292 R297 V298 F368 L386Y290-V294 PolarHBondContact O-N 2.67Å; L291-V294 WeakPolarHBondContact O-CB 3.3Å; L291-V294 PolarHBondContact O-N 3.04Å; P292-V294 VanDerWaalsContact C-N 3.31Å; P292-V294 PolarHBondContact O-N 3.32Å; V294-R297 PolarHBondContact O-N 2.82Å; V294-V298 WeakPolarHBondContact O-CG2 3.4Å; V294-V298 PolarHBondContact O-N 3.13Å; V294-V298 VanDerWaalsContact O-N 3.09Å; V294-F368 HydrophobicContact CG1-CD2 4.22Å; V294-F368 HydrophobicContact CG1-CE2 4.29Å; V294-L386 HydrophobicContact CG1-CD1 4.49Å; V294-L386 HydrophobicContact CG1-CD2 3.87Å; V294-L386 HydrophobicContact CG1-CG 3.95Å
295V92.4Very high91.5Very high7 Ų727.8 Ų27.84%0.04216%0.156CC..Hα-helixtrans-58.2-53.1176.1-175.80000110.8K124 L291 P292 R297 V298 E299 F368 Y372K124-V295 HydrophobicContact CB-CG1 4.45Å; K124-V295 HydrophobicContact CD-CG1 4.09Å; K124-V295 HydrophobicContact CG-CG1 4.48Å; L291-V295 WeakPolarHBondContact O-CG2 3.07Å; L291-V295 PolarHBondContact O-N 3.25Å; L291-V295 VanDerWaalsContact O-N 3.1Å; P292-V295 WeakPolarHBondContact O-CB 3.31Å; P292-V295 PolarHBondContact O-N 3.33Å; V295-R297 VanDerWaalsContact C-N 3.3Å; V295-R297 PolarHBondContact O-N 2.95Å; V295-V298 PolarHBondContact O-N 3.02Å; V295-E299 WeakPolarHBondContact CG1-OE1 3.45Å; V295-E299 PolarHBondContact O-N 3.26Å; V295-F368 HydrophobicContact CB-CE2 4.32Å; V295-F368 HydrophobicContact CB-CZ 3.93Å; V295-F368 HydrophobicContact CG1-CE1 4.47Å; V295-F368 HydrophobicContact CG1-CZ 3.89Å; V295-F368 HydrophobicContact CG2-CE2 3.92Å; V295-F368 HydrophobicContact CG2-CZ 3.62Å; V295-Y372 HydrophobicContact CG2-CD2 4.09Å; V295-Y372 HydrophobicContact CG2-CE2 3.68Å
296V93.2Very high92Very high15 Ų1525.7 Ų25.79%0.09114%0.143CC..Hα-helixtrans-60.6-43.6179.9179.20000110.5V121 P292 V298 E299 L300 E437V121-V296 HydrophobicContact CB-CG2 4.4Å; V121-V296 HydrophobicContact CG1-CG2 3.74Å; V121-V296 HydrophobicContact CG2-CG1 4.43Å; V121-V296 HydrophobicContact CG2-CG2 4.09Å; P292-V296 WeakPolarHBondContact O-CG2 3.47Å; P292-V296 PolarHBondContact O-N 3.13Å; V296-V298 PolarHBondContact O-N 2.79Å; V296-E299 PolarHBondContact O-N 3.36Å; V296-L300 HydrophobicContact CG1-CD2 4.3Å; V296-L300 WeakPolarHBondContact O-CB 3.07Å; V296-L300 WeakPolarHBondContact O-CD2 3.16Å; V296-L300 WeakPolarHBondContact O-CG 3.34Å; V296-L300 PolarHBondContact O-N 2.51Å; V296-E437 HydrophobicContact CG1-CG 3.82Å
297R94Very high92.9Very high7 Ų723.5 Ų23.53%0.02612%0.124CC..Hα-helixtrans-58.7-42.9-178.8-169.5179.5-57.11175.6113.3M293 V294 V295 L300 L301 S390 K394 E437M293-R297 WeakPolarHBondContact O-CB 3.44Å; M293-R297 PolarHBondContact O-N 3.17Å; V294-R297 PolarHBondContact O-N 2.82Å; V295-R297 VanDerWaalsContact C-N 3.3Å; V295-R297 PolarHBondContact O-N 2.95Å; R297-L300 WeakPolarHBondContact O-CG 3.35Å; R297-L301 WeakPolarHBondContact O-CG 3.2Å; R297-S390 VanDerWaalsContact CD-C 3.41Å; R297-S390 WeakPolarHBondContact CD-O 3.37Å; R297-S390 PolarHBondContact NH1-OG 2.89Å; R297-K394 HydrophobicContact CG-CB 3.52Å; R297-K394 HydrophobicContact CG-CG 3.8Å; R297-E437 PolarHBondContact NE-O 3.48Å
298V94.4Very high93.5Very high2 Ų218.3 Ų18.31%0.01210%0.1CC..Hα-helixtrans-71.5-45.2-179.5173.70000110.4V294 V295 V296 L300 L301 L364 L365 F368V294-V298 WeakPolarHBondContact O-CG2 3.4Å; V294-V298 PolarHBondContact O-N 3.13Å; V294-V298 VanDerWaalsContact O-N 3.09Å; V295-V298 PolarHBondContact O-N 3.02Å; V296-V298 PolarHBondContact O-N 2.79Å; V298-L300 PolarHBondContact O-N 3.03Å; V298-L301 PolarHBondContact O-N 3.11Å; V298-L364 HydrophobicContact CG1-CG 4.31Å; V298-L364 HydrophobicContact CG2-CD2 4.33Å; V298-L364 HydrophobicContact CG2-CG 4.25Å; V298-L365 HydrophobicContact CG1-CB 4.23Å; V298-L365 HydrophobicContact CG1-CD1 3.91Å; V298-F368 HydrophobicContact CB-CB 4.46Å; V298-F368 HydrophobicContact CB-CD2 4.48Å; V298-F368 HydrophobicContact CB-CG 4.26Å; V298-F368 HydrophobicContact CG1-CB 3.98Å; V298-F368 HydrophobicContact CG1-CD1 4.39Å; V298-F368 HydrophobicContact CG1-CG 4.14Å; V298-F368 HydrophobicContact CG2-CB 4.12Å; V298-F368 HydrophobicContact CG2-CD2 4.05Å; V298-F368 HydrophobicContact CG2-CG 4.12Å
299E92.3Very high94Very high69 Ų6918.3 Ų18.332%0.32210%0.1SC..Hα-helixtrans-68.8-35.3-176.2-72.1-172.2-121.800113.9K124 V295 V296 L301 L302 G303K124-E299 WeakPolarHBondContact CE-OE1 3.37Å; K124-E299 WeakPolarHBondContact CE-OE2 3.38Å; K124-E299 IonicContact NZ-OE1 3.16Å; K124-E299 PolarHBondContact NZ-OE1 3.45Å; K124-E299 IonicContact NZ-OE2 2.92Å; K124-E299 PolarHBondContact NZ-OE2 2.82Å; V295-E299 WeakPolarHBondContact CG1-OE1 3.45Å; V295-E299 PolarHBondContact O-N 3.26Å; V296-E299 PolarHBondContact O-N 3.36Å; E299-L301 PolarHBondContact O-N 3.08Å; E299-L302 PolarHBondContact O-N 2.55Å; E299-G303 PolarHBondContact O-N 2.93Å
300L94.7Very high94.6Very high13 Ų1317.8 Ų17.87%0.06810%0.097CC..Hα-helixtrans-64-23.2-179.476.190.1000112.5V296 R297 V298 E304 V305 K394 Y436 E437V296-L300 HydrophobicContact CG1-CD2 4.3Å; V296-L300 WeakPolarHBondContact O-CB 3.07Å; V296-L300 WeakPolarHBondContact O-CD2 3.16Å; V296-L300 WeakPolarHBondContact O-CG 3.34Å; V296-L300 PolarHBondContact O-N 2.51Å; R297-L300 WeakPolarHBondContact O-CG 3.35Å; V298-L300 PolarHBondContact O-N 3.03Å; L300-E304 WeakPolarHBondContact O-CA 3.38Å; L300-E304 WeakPolarHBondContact O-CB 3.43Å; L300-E304 PolarHBondContact O-N 3.04Å; L300-V305 HydrophobicContact CD1-CB 4.5Å; L300-V305 HydrophobicContact CD1-CG2 3.4Å; L300-V305 VanDerWaalsContact CD1-CG2 3.4Å; L300-V305 PolarHBondContact O-N 2.85Å; L300-K394 HydrophobicContact CD1-CG 4.49Å; L300-Y436 HydrophobicContact CD1-CE2 4.44Å; L300-Y436 HydrophobicContact CD2-CE2 4.15Å; L300-E437 HydrophobicContact CD2-CB 3.88Å; L300-E437 HydrophobicContact CD2-CG 3.65Å
301L97.6Very high95.1Very high1 Ų115 Ų151%0.0059%0.086CC..Iπ-helixtrans-64.2-50.2-179.9-58.2177.5000111.2R297 V298 E299 L306 A361 L364 M393 K394 M397R297-L301 WeakPolarHBondContact O-CG 3.2Å; V298-L301 PolarHBondContact O-N 3.11Å; E299-L301 PolarHBondContact O-N 3.08Å; L301-L306 WeakPolarHBondContact O-CB 3.4Å; L301-L306 PolarHBondContact O-N 3.18Å; L301-A361 HydrophobicContact CB-CB 4.23Å; L301-L364 HydrophobicContact CD1-CD2 3.79Å; L301-M393 HydrophobicContact CD1-CB 4.29Å; L301-K394 HydrophobicContact CD2-CB 4.07Å; L301-K394 HydrophobicContact CD2-CG 4.29Å; L301-M397 HydrophobicContact CB-CE 3.83Å; L301-M397 HydrophobicContact CB-SD 4.12Å; L301-M397 HydrophobicContact CD1-SD 3.88Å; L301-M397 HydrophobicContact CD2-CB 4.21Å; L301-M397 HydrophobicContact CD2-CE 4.31Å; L301-M397 HydrophobicContact CD2-SD 4Å; L301-M397 HydrophobicContact CG-CE 4.46Å; L301-M397 HydrophobicContact CG-SD 4.19Å
302L95.1Very high95.4Very high48 Ų4814.8 Ų14.825%0.2519%0.085SC..Iπ-helixtrans-82.8-29.2178.7-72.1171.8000113E299 L306 P307 A361 V362 L365E299-L302 PolarHBondContact O-N 2.55Å; L302-L306 HydrophobicContact CD2-CD2 4.29Å; L302-P307 VanDerWaalsContact O-CD 3.3Å; L302-P307 WeakPolarHBondContact O-CD 3.46Å; L302-P307 WeakPolarHBondContact O-CG 3.49Å; L302-A361 HydrophobicContact CD1-CB 4.36Å; L302-A361 HydrophobicContact CD2-CB 3.68Å; L302-A361 HydrophobicContact CG-CB 3.73Å; L302-V362 HydrophobicContact CD1-CG2 4.26Å; L302-V362 HydrophobicContact CD2-CG2 4.34Å; L302-L365 HydrophobicContact CD1-CB 4.42Å; L302-L365 HydrophobicContact CD1-CD2 3.98Å
303G92.3Very high95.8Very high38 Ų3814.8 Ų14.839%0.3929%0.085SC..Iπ-helixtrans-85.6-29.2-175.900000115E299E299-G303 PolarHBondContact O-N 2.93Å
304E93.9Very high96.1Very high37 Ų3713.8 Ų13.817%0.1738%0.08CC..Iπ-helixtrans-130.3-57.7-167.9-62.5-108.2-166.700112.5Y107 L300 T308 K429Y107-E304 HydrophobicContact CE1-CG 4.23Å; Y107-E304 PolarHBondContact OH-OE1 3.42Å; Y107-E304 PolarHBondContact OH-OE2 3.15Å; L300-E304 WeakPolarHBondContact O-CA 3.38Å; L300-E304 WeakPolarHBondContact O-CB 3.43Å; L300-E304 PolarHBondContact O-N 3.04Å; E304-T308 WeakPolarHBondContact O-CB 3.25Å; E304-T308 PolarHBondContact O-N 2.76Å; E304-T308 PolarHBondContact O-OG1 2.97Å; E304-K429 WeakPolarHBondContact OE2-CE 3.41Å; E304-K429 IonicContact OE2-NZ 3.77Å; E304-K429 PolarHBondContact OE2-NZ 2.99Å
305V98.1Very high96.4Very high2 Ų213.6 Ų13.61%0.0128%0.079CC..Iπ-helixtrans-71-59.7-168.6173.70000110.6L300 T308 L309 M397 C401 L430L300-V305 HydrophobicContact CD1-CB 4.5Å; L300-V305 HydrophobicContact CD1-CG2 3.4Å; L300-V305 VanDerWaalsContact CD1-CG2 3.4Å; L300-V305 PolarHBondContact O-N 2.85Å; V305-T308 WeakPolarHBondContact O-CB 3.39Å; V305-T308 PolarHBondContact O-N 2.69Å; V305-L309 PolarHBondContact O-N 3.35Å; V305-M397 HydrophobicContact CG1-CB 4.36Å; V305-C401 HydrophobicContact CG1-CB 3.92Å; V305-L430 HydrophobicContact CB-CD2 4.34Å; V305-L430 HydrophobicContact CG1-CD2 3.89Å
306L98.4Very high96.7Very high1 Ų113.2 Ų13.21%0.0058%0.077CC..Hα-helixtrans-64.4-45.7-174.7179.462.3000113.4L301 L302 T308 L309 Q310 S354 F357 H358 M397L301-L306 WeakPolarHBondContact O-CB 3.4Å; L301-L306 PolarHBondContact O-N 3.18Å; L302-L306 HydrophobicContact CD2-CD2 4.29Å; L306-T308 PolarHBondContact O-N 2.76Å; L306-T308 VanDerWaalsContact O-N 3.12Å; L306-L309 PolarHBondContact O-N 3.41Å; L306-L309 VanDerWaalsContact O-N 3.12Å; L306-Q310 HydrophobicContact CD1-CG 4.21Å; L306-Q310 HydrophobicContact CG-CG 4.25Å; L306-Q310 WeakPolarHBondContact O-CG 3.42Å; L306-Q310 PolarHBondContact O-N 3.07Å; L306-S354 WeakPolarHBondContact CD1-O 3.42Å; L306-F357 HydrophobicContact CD1-CB 3.88Å; L306-F357 HydrophobicContact CD2-CB 4.38Å; L306-H358 HydrophobicContact CD2-CB 3.77Å; L306-M397 HydrophobicContact CB-CE 4.11Å
307P98.1Very high97Very high16 Ų1612.6 Ų12.610%0.1047%0.073CC..Hα-helixtrans-58-29.2177.1-25.935.3000113.1L302 Q310 K311 F629L302-P307 VanDerWaalsContact O-CD 3.3Å; L302-P307 WeakPolarHBondContact O-CD 3.46Å; L302-P307 WeakPolarHBondContact O-CG 3.49Å; P307-Q310 PolarHBondContact O-N 3.03Å; P307-K311 WeakPolarHBondContact O-CB 3.49Å; P307-K311 WeakPolarHBondContact O-CG 3.42Å; P307-K311 PolarHBondContact O-N 2.89Å; P307-F629 HydrophobicContact CB-CE1 4.45Å; P307-F629 HydrophobicContact CB-CZ 4.2Å
308T98.6Very high97.2Very high7 Ų712.3 Ų12.34%0.0437%0.072CC..Hα-helixtrans-70.1-40.6179.2-56.70000111.6E304 V305 L306 A312 L426 L430E304-T308 WeakPolarHBondContact O-CB 3.25Å; E304-T308 PolarHBondContact O-N 2.76Å; E304-T308 PolarHBondContact O-OG1 2.97Å; V305-T308 WeakPolarHBondContact O-CB 3.39Å; V305-T308 PolarHBondContact O-N 2.69Å; L306-T308 PolarHBondContact O-N 2.76Å; L306-T308 VanDerWaalsContact O-N 3.12Å; T308-A312 PolarHBondContact O-N 3.23Å; T308-A312 VanDerWaalsContact O-N 3.16Å; T308-L426 HydrophobicContact CG2-CB 3.63Å; T308-L426 HydrophobicContact CG2-CD2 3.76Å; T308-L426 HydrophobicContact CG2-CG 4.2Å; T308-L426 WeakPolarHBondContact CG2-O 3.35Å; T308-L430 HydrophobicContact CG2-CD1 3.53Å; T308-L430 HydrophobicContact CG2-CD2 4.34Å; T308-L430 HydrophobicContact CG2-CG 3.54Å
309L98.8Very high97.4Very high0 Ų012.5 Ų12.50%07%0.072CC..Hα-helixtrans-64.6-46.6170.617564.4000111.4V305 L306 K311 A312 C313 Q350 I353 C401V305-L309 PolarHBondContact O-N 3.35Å; L306-L309 PolarHBondContact O-N 3.41Å; L306-L309 VanDerWaalsContact O-N 3.12Å; L309-K311 VanDerWaalsContact C-N 3.28Å; L309-K311 PolarHBondContact O-N 3.39Å; L309-A312 WeakPolarHBondContact O-CA 3.47Å; L309-A312 WeakPolarHBondContact O-CB 3.44Å; L309-A312 PolarHBondContact O-N 3Å; L309-C313 PolarHBondContact O-N 3.23Å; L309-C313 PolarHBondContact O-SG 3.25Å; L309-Q350 HydrophobicContact CD1-CB 4.45Å; L309-I353 HydrophobicContact CD2-CG2 3.98Å; L309-C401 HydrophobicContact CB-CB 3.91Å; L309-C401 HydrophobicContact CD2-CB 4.36Å
310Q98.8Very high97.7Very high15 Ų159.2 Ų9.27%0.076%0.057CC..Hα-helixtrans-58.3-41.6-179.4-67172.4-24.800111.4L306 P307 C313 V314 F627 F629L306-Q310 HydrophobicContact CD1-CG 4.21Å; L306-Q310 HydrophobicContact CG-CG 4.25Å; L306-Q310 WeakPolarHBondContact O-CG 3.42Å; L306-Q310 PolarHBondContact O-N 3.07Å; P307-Q310 PolarHBondContact O-N 3.03Å; Q310-C313 PolarHBondContact O-N 3.34Å; Q310-V314 WeakPolarHBondContact O-CG2 3.38Å; Q310-V314 PolarHBondContact O-N 3.1Å; Q310-F627 HydrophobicContact CB-CD1 4.38Å; Q310-F627 HydrophobicContact CB-CD2 3.97Å; Q310-F627 HydrophobicContact CB-CE1 4.49Å; Q310-F627 HydrophobicContact CB-CE2 4.05Å; Q310-F627 HydrophobicContact CB-CG 4.14Å; Q310-F627 HydrophobicContact CB-CZ 4.33Å; Q310-F627 HydrophobicContact CG-CD1 4.1Å; Q310-F627 HydrophobicContact CG-CD2 4.35Å; Q310-F627 HydrophobicContact CG-CE1 3.86Å; Q310-F627 HydrophobicContact CG-CE2 4.1Å; Q310-F627 HydrophobicContact CG-CG 4.35Å; Q310-F627 HydrophobicContact CG-CZ 3.86Å; Q310-F629 HydrophobicContact CB-CE2 3.69Å; Q310-F629 HydrophobicContact CB-CZ 4.08Å
311K98.8Very high97.9Very high6 Ų68.6 Ų8.63%0.0265%0.054CC..Hα-helixtrans-60.7-43.6172.5-72174.4-178.1176.60112.3S111 P307 L309 C313 V314 I315 L426 F629 C633 L634S111-K311 VanDerWaalsContact CB-NZ 3.34Å; S111-K311 PolarHBondContact OG-NZ 3.36Å; P307-K311 WeakPolarHBondContact O-CB 3.49Å; P307-K311 WeakPolarHBondContact O-CG 3.42Å; P307-K311 PolarHBondContact O-N 2.89Å; L309-K311 VanDerWaalsContact C-N 3.28Å; L309-K311 PolarHBondContact O-N 3.39Å; K311-C313 VanDerWaalsContact C-N 3.35Å; K311-C313 PolarHBondContact O-N 2.96Å; K311-V314 PolarHBondContact O-N 3.44Å; K311-I315 WeakPolarHBondContact O-CD1 3.35Å; K311-I315 VanDerWaalsContact O-CG1 3.24Å; K311-I315 WeakPolarHBondContact O-CG1 3.39Å; K311-I315 PolarHBondContact O-N 2.89Å; K311-L426 HydrophobicContact CB-CD1 3.85Å; K311-L426 HydrophobicContact CB-CD2 4.49Å; K311-L426 HydrophobicContact CD-CD2 4.42Å; K311-F629 HydrophobicContact CD-CD1 4.4Å; K311-F629 HydrophobicContact CD-CE1 4.27Å; K311-F629 VanDerWaalsContact CE-CD1 3.42Å; K311-F629 HydrophobicContact CG-CD1 3.99Å; K311-F629 HydrophobicContact CG-CD2 3.99Å; K311-F629 HydrophobicContact CG-CE1 3.9Å; K311-F629 HydrophobicContact CG-CE2 3.87Å; K311-F629 HydrophobicContact CG-CG 4.05Å; K311-F629 HydrophobicContact CG-CZ 3.83Å; K311-C633 WeakPolarHBondContact CE-SG 3.35Å; K311-C633 PolarHBondContact NZ-SG 3.41Å; K311-L634 HydrophobicContact CB-CD2 3.87Å; K311-L634 HydrophobicContact CG-CD2 3.77Å
312A98.9Very high97.9Very high0 Ų08.9 Ų8.90%06%0.055CC..Hα-helixtrans-62.3-42.6177.200000111.7T308 L309 I315 A316 A405 C408 L423 L426T308-A312 PolarHBondContact O-N 3.23Å; T308-A312 VanDerWaalsContact O-N 3.16Å; L309-A312 WeakPolarHBondContact O-CA 3.47Å; L309-A312 WeakPolarHBondContact O-CB 3.44Å; L309-A312 PolarHBondContact O-N 3Å; A312-I315 PolarHBondContact O-N 3.46Å; A312-A316 WeakPolarHBondContact O-CB 3.46Å; A312-A316 PolarHBondContact O-N 3.46Å; A312-A405 HydrophobicContact CB-CB 4.03Å; A312-C408 HydrophobicContact CB-CB 3.91Å; A312-L423 HydrophobicContact CB-CD2 3.82Å; A312-L426 HydrophobicContact CB-CD1 4.11Å
313C98.9Very high98.1Very high1 Ų19.6 Ų9.61%0.0075%0.054CC..Hα-helixtrans-60.5-44.7173.8-69.20000111.6L309 Q310 K311 T317L309-C313 PolarHBondContact O-N 3.23Å; L309-C313 PolarHBondContact O-SG 3.25Å; Q310-C313 PolarHBondContact O-N 3.34Å; K311-C313 VanDerWaalsContact C-N 3.35Å; K311-C313 PolarHBondContact O-N 2.96Å; C313-T317 WeakPolarHBondContact O-CB 3.35Å; C313-T317 PolarHBondContact O-N 3.49Å; C313-T317 PolarHBondContact O-OG1 3.4Å
314V98.9Very high98.4Very high0 Ų011.9 Ų11.90%05%0.051CC..Hα-helixtrans-59.7-51.1177.2171.90000111Q310 K311 A316 R318 T624 F627 F629 L634Q310-V314 WeakPolarHBondContact O-CG2 3.38Å; Q310-V314 PolarHBondContact O-N 3.1Å; K311-V314 PolarHBondContact O-N 3.44Å; V314-A316 PolarHBondContact O-N 2.72Å; V314-R318 HydrophobicContact CG1-CG 4.49Å; V314-R318 VanDerWaalsContact CG1-CZ 3.47Å; V314-R318 WeakPolarHBondContact O-CB 3.3Å; V314-R318 VanDerWaalsContact O-CG 3.3Å; V314-R318 WeakPolarHBondContact O-CG 3.26Å; V314-R318 PolarHBondContact O-N 2.94Å; V314-T624 WeakPolarHBondContact CG2-O 3.4Å; V314-F627 HydrophobicContact CG2-CD2 3.83Å; V314-F629 HydrophobicContact CG2-CD2 4.13Å; V314-L634 HydrophobicContact CB-CD2 4.29Å; V314-L634 HydrophobicContact CG1-CD1 3.81Å; V314-L634 HydrophobicContact CG1-CD2 4.1Å
315I98.9Very high98.5Very high0 Ų014.1 Ų14.10%06%0.062CC..Hα-helixtrans-59.8-51.4-178.9-65.5161.5000110.2K311 A312 Y319 L423 L426 L634 S636 L638K311-I315 WeakPolarHBondContact O-CD1 3.35Å; K311-I315 VanDerWaalsContact O-CG1 3.24Å; K311-I315 WeakPolarHBondContact O-CG1 3.39Å; K311-I315 PolarHBondContact O-N 2.89Å; A312-I315 PolarHBondContact O-N 3.46Å; I315-Y319 VanDerWaalsContact O-CB 3.28Å; I315-Y319 WeakPolarHBondContact O-CB 3.05Å; I315-Y319 PolarHBondContact O-N 3.01Å; I315-L423 HydrophobicContact CB-CD2 4.16Å; I315-L423 HydrophobicContact CB-CG 4.43Å; I315-L423 HydrophobicContact CD1-CD2 4.23Å; I315-L423 HydrophobicContact CD1-CG 4.42Å; I315-L423 HydrophobicContact CG2-CD1 3.83Å; I315-L423 HydrophobicContact CG2-CD2 4.17Å; I315-L423 HydrophobicContact CG2-CG 3.92Å; I315-L426 HydrophobicContact CD1-CD1 3.79Å; I315-L634 HydrophobicContact CD1-CD2 4.46Å; I315-L634 HydrophobicContact CG1-CD2 4.17Å; I315-S636 WeakPolarHBondContact CG2-OG 3.37Å; I315-L638 HydrophobicContact CG2-CB 3.92Å
316A98.9Very high98.5Very high0 Ų017.3 Ų17.30%08%0.084CC..Hα-helixtrans-70.1-36.7-174.600000113A312 V314 S320 L347 C408 C412A312-A316 WeakPolarHBondContact O-CB 3.46Å; A312-A316 PolarHBondContact O-N 3.46Å; V314-A316 PolarHBondContact O-N 2.72Å; A316-S320 VanDerWaalsContact O-CB 3.25Å; A316-S320 WeakPolarHBondContact O-CB 3.33Å; A316-S320 PolarHBondContact O-N 3.32Å; A316-S320 PolarHBondContact O-OG 3.03Å; A316-L347 HydrophobicContact CB-CD1 4.48Å; A316-L347 HydrophobicContact CB-CD2 3.65Å; A316-C408 HydrophobicContact CB-CB 3.69Å; A316-C412 VanDerWaalsContact CA-SG 3.58Å
317T98.8Very high98.4Very high1 Ų122.2 Ų22.21%0.00611%0.107CC..Hα-helixtrans-69.9-46.4178.2-52.60000110.9C313 Y319 S320 V321 L338 A620 I621 T624C313-T317 WeakPolarHBondContact O-CB 3.35Å; C313-T317 PolarHBondContact O-N 3.49Å; C313-T317 PolarHBondContact O-OG1 3.4Å; T317-Y319 PolarHBondContact O-N 3.13Å; T317-S320 PolarHBondContact O-N 3.07Å; T317-V321 PolarHBondContact O-N 3.06Å; T317-L338 HydrophobicContact CG2-CD2 4.14Å; T317-A620 HydrophobicContact CG2-CB 3.91Å; T317-I621 HydrophobicContact CG2-CD1 4Å; T317-T624 HydrophobicContact CG2-CG2 4.06Å
318R98.7Very high98.2Very high2 Ų225.9 Ų25.91%0.00813%0.125CC..Hα-helixtrans-59.6-48.1175.6-72.8178.5178.71684.4111.5M22 V314 S320 V321 I322 I621 D625 D631 L634 G639M22-R318 HydrophobicContact CE-CB 3.89Å; M22-R318 HydrophobicContact CE-CG 3.96Å; V314-R318 HydrophobicContact CG1-CG 4.49Å; V314-R318 VanDerWaalsContact CG1-CZ 3.47Å; V314-R318 WeakPolarHBondContact O-CB 3.3Å; V314-R318 VanDerWaalsContact O-CG 3.3Å; V314-R318 WeakPolarHBondContact O-CG 3.26Å; V314-R318 PolarHBondContact O-N 2.94Å; R318-S320 VanDerWaalsContact C-N 3.26Å; R318-S320 PolarHBondContact O-N 2.94Å; R318-V321 PolarHBondContact O-N 3.09Å; R318-I322 PolarHBondContact O-N 3.01Å; R318-I621 HydrophobicContact CG-CD1 4.1Å; R318-D625 IonicContact CZ-OD1 2.76Å; R318-D625 IonicContact NE-OD1 3.96Å; R318-D625 IonicContact NH2-OD1 3.23Å; R318-D625 PolarHBondContact NH2-OD1 3.34Å; R318-D631 IonicContact NH1-OD1 2.8Å; R318-L634 VanDerWaalsContact NH1-CD1 3.33Å; R318-G639 VanDerWaalsContact CD-O 3.24Å; R318-G639 WeakPolarHBondContact CD-O 3.32Å; R318-G639 PolarHBondContact NH1-O 2.75Å
319Y98.9Very high97.9Very high6 Ų632.9 Ų32.92%0.02415%0.151CC..Hα-helixtrans-60.8-36.3177-178.5-112.7000112.6I315 T317 V321 I322 R323 C412 H415 L638 V645I315-Y319 VanDerWaalsContact O-CB 3.28Å; I315-Y319 WeakPolarHBondContact O-CB 3.05Å; I315-Y319 PolarHBondContact O-N 3.01Å; T317-Y319 PolarHBondContact O-N 3.13Å; Y319-V321 PolarHBondContact O-N 3.38Å; Y319-I322 PolarHBondContact O-N 2.96Å; Y319-I322 VanDerWaalsContact O-N 3.17Å; Y319-R323 HydrophobicContact CD1-CB 4.38Å; Y319-R323 HydrophobicContact CE1-CB 3.92Å; Y319-R323 HydrophobicContact CE1-CG 4.17Å; Y319-R323 HydrophobicContact CE2-CB 4.13Å; Y319-R323 WeakPolarHBondContact O-CB 3.48Å; Y319-R323 PolarHBondContact O-N 3.44Å; Y319-R323 WeakPolarHBondContact OH-CD 3.36Å; Y319-R323 PolarHBondContact OH-NH1 3.19Å; Y319-C412 HydrophobicContact CD1-CB 3.77Å; Y319-C412 HydrophobicContact CE1-CB 4.04Å; Y319-H415 PolarHBondContact OH-CD2 3.3Å; Y319-L638 HydrophobicContact CD1-CD1 4.46Å; Y319-L638 HydrophobicContact CD2-CB 4.12Å; Y319-L638 HydrophobicContact CD2-CD1 4.31Å; Y319-L638 HydrophobicContact CD2-CD2 4.01Å; Y319-L638 HydrophobicContact CD2-CG 4.36Å; Y319-L638 HydrophobicContact CE2-CD2 4.02Å; Y319-L638 HydrophobicContact CG-CB 4.25Å; Y319-L638 HydrophobicContact CG-CD1 4.26Å; Y319-V645 HydrophobicContact CD2-CG1 3.83Å; Y319-V645 HydrophobicContact CD2-CG2 4.4Å; Y319-V645 HydrophobicContact CE2-CG1 3.93Å
320S98.8Very high97.7Very high0 Ų038.8 Ų38.80%019%0.189CC..Hα-helixtrans-69.3-20.8-179.6-62.10000114A316 T317 R318 V337 L338 Q343 L347A316-S320 VanDerWaalsContact O-CB 3.25Å; A316-S320 WeakPolarHBondContact O-CB 3.33Å; A316-S320 PolarHBondContact O-N 3.32Å; A316-S320 PolarHBondContact O-OG 3.03Å; T317-S320 PolarHBondContact O-N 3.07Å; R318-S320 VanDerWaalsContact C-N 3.26Å; R318-S320 PolarHBondContact O-N 2.94Å; S320-V337 VanDerWaalsContact CA-CG2 3.48Å; S320-V337 WeakPolarHBondContact O-CG2 3.48Å; S320-V337 PolarHBondContact O-N 2.69Å; S320-L338 WeakPolarHBondContact O-CB 3.14Å; S320-L338 PolarHBondContact O-N 3.42Å; S320-Q343 PolarHBondContact OG-NE2 2.87Å; S320-L347 WeakPolarHBondContact OG-CD1 3.46Å
321V98.2Very high97.4Very high0 Ų043.2 Ų43.20%022%0.222CC..Hα-helixtrans-78.3-36.3171.6167.30000111.5D21 M22 E25 T317 R318 Y319 K336 L338 I621D21-V321 HydrophobicContact CB-CG1 4.12Å; M22-V321 HydrophobicContact CE-CB 4.48Å; M22-V321 HydrophobicContact CE-CG1 4.44Å; E25-V321 HydrophobicContact CG-CB 4.44Å; E25-V321 HydrophobicContact CG-CG1 3.58Å; E25-V321 HydrophobicContact CG-CG2 3.96Å; T317-V321 PolarHBondContact O-N 3.06Å; R318-V321 PolarHBondContact O-N 3.09Å; Y319-V321 PolarHBondContact O-N 3.38Å; V321-K336 HydrophobicContact CG1-CD 4.38Å; V321-K336 WeakPolarHBondContact O-CG 3.46Å; V321-L338 HydrophobicContact CG2-CD2 3.61Å; V321-I621 HydrophobicContact CB-CD1 4.48Å; V321-I621 HydrophobicContact CG2-CD1 3.75Å; V321-I621 HydrophobicContact CG2-CG1 3.78Å
322I98.3Very high97.2Very high6 Ų644.4 Ų44.43%0.03123%0.228CC..Hα-helixtrans-82.8-37.4-177.6-57.7-56.3000111.7H19 D21 M22 R318 Y319 R324 G643 V645 Y646H19-I322 HydrophobicContact CB-CD1 4.02Å; H19-I322 WeakPolarHBondContact ND1-CD1 3.47Å; D21-I322 HydrophobicContact CB-CD1 4.27Å; M22-I322 HydrophobicContact CB-CD1 4.26Å; M22-I322 HydrophobicContact CE-CD1 4.26Å; M22-I322 HydrophobicContact CE-CG1 4.31Å; R318-I322 PolarHBondContact O-N 3.01Å; Y319-I322 PolarHBondContact O-N 2.96Å; Y319-I322 VanDerWaalsContact O-N 3.17Å; I322-R324 PolarHBondContact O-N 3.33Å; I322-G643 WeakPolarHBondContact CD1-O 3.43Å; I322-G643 WeakPolarHBondContact CG1-O 3.4Å; I322-V645 HydrophobicContact CB-CG2 4.32Å; I322-V645 HydrophobicContact CG1-CG2 4.21Å; I322-V645 HydrophobicContact CG2-CB 4.24Å; I322-V645 HydrophobicContact CG2-CG2 4.18Å; I322-Y646 HydrophobicContact CG2-CE2 4.3Å
323R98.4Very high97Very high63 Ų6349.2 Ų49.224%0.23826%0.259CS..  trans-71.9117.4-179.2-179.657.5179.5-134.89.7109.6Y319 V337 Y646Y319-R323 HydrophobicContact CD1-CB 4.38Å; Y319-R323 HydrophobicContact CE1-CB 3.92Å; Y319-R323 HydrophobicContact CE1-CG 4.17Å; Y319-R323 HydrophobicContact CE2-CB 4.13Å; Y319-R323 WeakPolarHBondContact O-CB 3.48Å; Y319-R323 PolarHBondContact O-N 3.44Å; Y319-R323 WeakPolarHBondContact OH-CD 3.36Å; Y319-R323 PolarHBondContact OH-NH1 3.19Å; R323-V337 HydrophobicContact CB-CG1 4.37Å; R323-V337 HydrophobicContact CB-CG2 3.89Å; R323-V337 HydrophobicContact CG-CG1 3.82Å; R323-V337 HydrophobicContact CG-CG2 4.13Å; R323-V337 WeakPolarHBondContact O-CG1 3.34Å; R323-V337 PolarHBondContact O-N 2.88Å; R323-Y646 WeakPolarHBondContact CD-OH 3.48Å
324R98.2Very high96.9Very high87 Ų8753.4 Ų53.433%0.32828%0.279SS..BIsolated β-bridgetrans-100.1136.4165.1-66.7173.1176.1-932.3109.3D21 I322 E334 A335D21-R324 IonicContact OD1-CZ 3.56Å; D21-R324 IonicContact OD1-NH2 3.44Å; D21-R324 PolarHBondContact OD1-NH2 3.48Å; D21-R324 IonicContact OD2-CZ 2.62Å; D21-R324 IonicContact OD2-NE 3.68Å; D21-R324 PolarHBondContact OD2-NE 3.49Å; D21-R324 IonicContact OD2-NH2 2.78Å; D21-R324 PolarHBondContact OD2-NH2 3.14Å; D21-R324 VanDerWaalsContact OD2-NH2 3.15Å; I322-R324 PolarHBondContact O-N 3.33Å; R324-E334 HydrophobicContact CB-CB 3.9Å; R324-E334 PolarHBondContact NH1-O 3.01Å; R324-A335 VanDerWaalsContact CA-O 3.23Å; R324-A335 WeakPolarHBondContact CA-O 3.23Å
325Q97.1Very high96.9Very high84 Ų8453.9 Ų53.939%0.39328%0.283SS..  trans-162.3128.8177.3-170.176.415.400109.2E334 A335 V337 Y340Q325-E334 WeakPolarHBondContact CA-OE1 3.21Å; Q325-A335 PolarHBondContact N-O 2.95Å; Q325-V337 HydrophobicContact CB-CG1 3.77Å; Q325-Y340 PolarHBondContact O-OH 3.07Å
326S96.4Very high96.8Very high69 Ų6954.6 Ų54.648%0.48329%0.286SS..SBendtrans65.9170-179.2-51.60000113E334 A335 Y340S326-E334 PolarHBondContact N-OE1 3.3Å; S326-E334 CarbonylContact O-C 3.57Å; S326-E334 WeakPolarHBondContact O-CA 3.36Å; S326-A335 PolarHBondContact O-N 3.14Å; S326-Y340 WeakPolarHBondContact CB-OH 3.11Å; S326-Y340 PolarHBondContact O-OH 2.99Å
327Q96.4Very high96.8Very high104 Ų10455.6 Ų55.649%0.48629%0.292SS..  trans-113.2141-177.4-59.5169.4-53.700110R329 P330 D332 Y340Q327-R329 WeakPolarHBondContact CB-O 3.41Å; Q327-P330 PolarHBondContact NE2-O 3.01Å; Q327-D332 WeakPolarHBondContact CG-O 3.45Å; Q327-D332 PolarHBondContact NE2-O 3.46Å; Q327-Y340 VanDerWaalsContact C-OH 3.26Å; Q327-Y340 PolarHBondContact N-OH 3.33Å; Q327-Y340 PolarHBondContact O-OH 3.45Å
328L93.8Very high96.8Very high92 Ų9255.6 Ų55.648%0.48229%0.292SS..SBendtrans-78.8-37.1172.7-78.5168.3000111.4A335 D339 Y340L328-A335 HydrophobicContact CD1-CB 3.77Å; L328-A335 HydrophobicContact CG-CB 3.82Å; L328-D339 HydrophobicContact CD1-CB 4.09Å; L328-Y340 HydrophobicContact CD2-CD1 3.55Å; L328-Y340 HydrophobicContact CD2-CE1 3.35Å; L328-Y340 HydrophobicContact CD2-CG 4.29Å; L328-Y340 HydrophobicContact CG-CD1 4.45Å; L328-Y340 HydrophobicContact CG-CE1 3.92Å
329R94Very high96.7Very high155 Ų15558.3 Ų58.359%0.58531%0.307SS*.SBendtrans-125.8144.4171.7-58.8173.4-66.6-172.74.2108.4Q327 S331 D332Q327-R329 WeakPolarHBondContact CB-O 3.41Å; R329-S331 PolarHBondContact O-N 3.46Å; R329-D332 HydrophobicContact CB-CB 4.5Å; R329-D332 WeakPolarHBondContact CB-OD2 3.17Å; R329-D332 IonicContact CZ-OD1 3.33Å; R329-D332 IonicContact CZ-OD2 3.03Å; R329-D332 VanDerWaalsContact CZ-OD2 3.29Å; R329-D332 VanDerWaalsContact NE-CG 3.32Å; R329-D332 IonicContact NE-OD1 3.2Å; R329-D332 PolarHBondContact NE-OD1 3.39Å; R329-D332 IonicContact NE-OD2 3.33Å; R329-D332 PolarHBondContact NE-OD2 2.74Å; R329-D332 VanDerWaalsContact NH2-CG 3.27Å; R329-D332 IonicContact NH2-OD1 2.76Å; R329-D332 PolarHBondContact NH2-OD1 3.02Å; R329-D332 IonicContact NH2-OD2 2.76Å; R329-D332 PolarHBondContact NH2-OD2 3.01Å; R329-D332 WeakPolarHBondContact O-CB 3.41Å; R329-D332 PolarHBondContact O-N 3.01Å
330P93.4Very high96.7Very high123 Ų12360.3 Ų60.380%0.79932%0.315SS*.THydrogen-bonded Turntrans-53.5-28.6-175.5-29.235.5000115.6Q327Q327-P330 PolarHBondContact NE2-O 3.01Å
331S93.1Very high96.6Very high109 Ų10964.5 Ų64.576%0.76233%0.334SS*.THydrogen-bonded Turntrans-90.6-7.7-179.7580000114.8R329R329-S331 PolarHBondContact O-N 3.46Å
332D93.3Very high96.6Very high31 Ų3168.9 Ų68.917%0.16636%0.361CS..SBendtrans-80.1154.4-177.4-72.2-13.3000111.5Q327 R329Q327-D332 WeakPolarHBondContact CG-O 3.45Å; Q327-D332 PolarHBondContact NE2-O 3.46Å; R329-D332 HydrophobicContact CB-CB 4.5Å; R329-D332 WeakPolarHBondContact CB-OD2 3.17Å; R329-D332 IonicContact CZ-OD1 3.33Å; R329-D332 IonicContact CZ-OD2 3.03Å; R329-D332 VanDerWaalsContact CZ-OD2 3.29Å; R329-D332 VanDerWaalsContact NE-CG 3.32Å; R329-D332 IonicContact NE-OD1 3.2Å; R329-D332 PolarHBondContact NE-OD1 3.39Å; R329-D332 IonicContact NE-OD2 3.33Å; R329-D332 PolarHBondContact NE-OD2 2.74Å; R329-D332 VanDerWaalsContact NH2-CG 3.27Å; R329-D332 IonicContact NH2-OD1 2.76Å; R329-D332 PolarHBondContact NH2-OD1 3.02Å; R329-D332 IonicContact NH2-OD2 2.76Å; R329-D332 PolarHBondContact NH2-OD2 3.01Å; R329-D332 WeakPolarHBondContact O-CB 3.41Å; R329-D332 PolarHBondContact O-N 3.01Å
333P95.6Very high96.6Very high100 Ų10069.3 Ų69.365%0.64936%0.363SS*.PPolyproline II helixtrans-61.2167160.230.4-35.7000110.5A335P333-A335 PolarHBondContact O-N 2.83Å
334E97.6Very high96.7Very high90 Ų9066.8 Ų66.842%0.42135%0.354SS..PPolyproline II helixtrans-56.9128.8175.3-69.4-167109.700111.2R324 Q325 S326R324-E334 HydrophobicContact CB-CB 3.9Å; R324-E334 PolarHBondContact NH1-O 3.01Å; Q325-E334 WeakPolarHBondContact CA-OE1 3.21Å; S326-E334 PolarHBondContact N-OE1 3.3Å; S326-E334 CarbonylContact O-C 3.57Å; S326-E334 WeakPolarHBondContact O-CA 3.36Å
335A97.3Very high96.6Very high10 Ų1067.3 Ų67.38%0.08336%0.36CS..PPolyproline II helixtrans-78.2152.4-177.400000110.5R324 Q325 S326 L328 P333 V337 Y340R324-A335 VanDerWaalsContact CA-O 3.23Å; R324-A335 WeakPolarHBondContact CA-O 3.23Å; Q325-A335 PolarHBondContact N-O 2.95Å; S326-A335 PolarHBondContact O-N 3.14Å; L328-A335 HydrophobicContact CD1-CB 3.77Å; L328-A335 HydrophobicContact CG-CB 3.82Å; P333-A335 PolarHBondContact O-N 2.83Å; A335-V337 PolarHBondContact O-N 3.5Å; A335-Y340 HydrophobicContact CB-CE2 3.97Å
336K97.9Very high96.7Very high15 Ų1567 Ų677%0.06536%0.357CS..BIsolated β-bridgetrans-60.3136167.9-59.7172.9169.4173.30107.3D21 S24 E25 V321 L338 D339D21-K336 WeakPolarHBondContact OD1-CE 3.45Å; D21-K336 IonicContact OD1-NZ 2.68Å; S24-K336 PolarHBondContact OG-NZ 3.48Å; E25-K336 IonicContact OE1-NZ 3.3Å; E25-K336 PolarHBondContact OE1-NZ 2.89Å; V321-K336 HydrophobicContact CG1-CD 4.38Å; V321-K336 WeakPolarHBondContact O-CG 3.46Å; K336-L338 PolarHBondContact O-N 3.33Å; K336-L338 VanDerWaalsContact O-N 3.11Å; K336-D339 WeakPolarHBondContact CB-OD2 3.43Å; K336-D339 WeakPolarHBondContact O-CB 3.3Å; K336-D339 PolarHBondContact O-N 3.03Å
337V98.6Very high96.8Very high21 Ų2163.7 Ų63.713%0.12733%0.334CS..G310 helixtrans-62.8-25.4-177.4-63.80000111.9S320 R323 Q325 A335 D339 Y340 Q343S320-V337 VanDerWaalsContact CA-CG2 3.48Å; S320-V337 WeakPolarHBondContact O-CG2 3.48Å; S320-V337 PolarHBondContact O-N 2.69Å; R323-V337 HydrophobicContact CB-CG1 4.37Å; R323-V337 HydrophobicContact CB-CG2 3.89Å; R323-V337 HydrophobicContact CG-CG1 3.82Å; R323-V337 HydrophobicContact CG-CG2 4.13Å; R323-V337 WeakPolarHBondContact O-CG1 3.34Å; R323-V337 PolarHBondContact O-N 2.88Å; Q325-V337 HydrophobicContact CB-CG1 3.77Å; A335-V337 PolarHBondContact O-N 3.5Å; V337-D339 PolarHBondContact O-N 3.2Å; V337-Y340 PolarHBondContact O-N 3.18Å; V337-Q343 WeakPolarHBondContact O-CB 3.33Å; V337-Q343 WeakPolarHBondContact O-CG 3.45Å
338L98.4Very high96.9Very high0 Ų058.8 Ų58.80%031%0.311CS..G310 helixtrans-66.4-16.8173.6-160.861.2000114T317 S320 V321 K336 Y340 Q343 Q344 L347 F348 R617 A620T317-L338 HydrophobicContact CG2-CD2 4.14Å; S320-L338 WeakPolarHBondContact O-CB 3.14Å; S320-L338 PolarHBondContact O-N 3.42Å; V321-L338 HydrophobicContact CG2-CD2 3.61Å; K336-L338 PolarHBondContact O-N 3.33Å; K336-L338 VanDerWaalsContact O-N 3.11Å; L338-Y340 VanDerWaalsContact C-N 3.28Å; L338-Q343 HydrophobicContact CD1-CG 4.35Å; L338-Q344 WeakPolarHBondContact O-CG 3.4Å; L338-Q344 PolarHBondContact O-NE2 3.08Å; L338-L347 HydrophobicContact CD1-CD1 3.88Å; L338-F348 HydrophobicContact CD1-CE1 3.89Å; L338-F348 HydrophobicContact CD1-CZ 4.01Å; L338-F348 HydrophobicContact CG-CZ 4.34Å; L338-R617 WeakPolarHBondContact O-CD 3.48Å; L338-R617 PolarHBondContact O-NE 3.46Å; L338-A620 HydrophobicContact CD2-CB 4.4Å
339D97.7Very high97.2Very high60 Ų6054.5 Ų54.532%0.32129%0.289SS..G310 helixtrans-78.8-15.8178.6-60.2-19.4000112.1L328 K336 V337 Q344 R617L328-D339 HydrophobicContact CD1-CB 4.09Å; K336-D339 WeakPolarHBondContact CB-OD2 3.43Å; K336-D339 WeakPolarHBondContact O-CB 3.3Å; K336-D339 PolarHBondContact O-N 3.03Å; V337-D339 PolarHBondContact O-N 3.2Å; D339-Q344 PolarHBondContact O-NE2 3.31Å; D339-R617 IonicContact OD1-CZ 3.09Å; D339-R617 IonicContact OD1-NE 3.05Å; D339-R617 PolarHBondContact OD1-NE 3.3Å; D339-R617 VanDerWaalsContact OD1-NE 3.09Å; D339-R617 IonicContact OD1-NH2 2.99Å; D339-R617 PolarHBondContact OD1-NH2 2.96Å
340Y98.4Very high97.4Very high48 Ų4848.2 Ų48.219%0.18827%0.266CS..SBendtrans-77.9127.7172.6-65.5-87.6000111.1Q325 S326 Q327 L328 A335 V337 L338 T342 Q343 Q344Q325-Y340 PolarHBondContact O-OH 3.07Å; S326-Y340 WeakPolarHBondContact CB-OH 3.11Å; S326-Y340 PolarHBondContact O-OH 2.99Å; Q327-Y340 VanDerWaalsContact C-OH 3.26Å; Q327-Y340 PolarHBondContact N-OH 3.33Å; Q327-Y340 PolarHBondContact O-OH 3.45Å; L328-Y340 HydrophobicContact CD2-CD1 3.55Å; L328-Y340 HydrophobicContact CD2-CE1 3.35Å; L328-Y340 HydrophobicContact CD2-CG 4.29Å; L328-Y340 HydrophobicContact CG-CD1 4.45Å; L328-Y340 HydrophobicContact CG-CE1 3.92Å; A335-Y340 HydrophobicContact CB-CE2 3.97Å; V337-Y340 PolarHBondContact O-N 3.18Å; L338-Y340 VanDerWaalsContact C-N 3.28Å; Y340-T342 PolarHBondContact O-N 3.26Å; Y340-T342 VanDerWaalsContact O-N 3.11Å; Y340-Q343 WeakPolarHBondContact O-CB 3.39Å; Y340-Q343 PolarHBondContact O-N 2.97Å; Y340-Q344 WeakPolarHBondContact O-CG 3.47Å; Y340-Q344 PolarHBondContact O-N 3.44Å; Y340-Q344 VanDerWaalsContact O-N 3.11Å
341Q97.4Very high97.6Very high87 Ų8742.4 Ų42.441%0.40723%0.228SC..Hα-helixtrans-58.6-29.1180-164.3178.759.900112.9Q344 Q345 L613Q341-Q344 WeakPolarHBondContact O-CB 3.31Å; Q341-Q344 PolarHBondContact O-N 3.02Å; Q341-Q345 WeakPolarHBondContact O-CB 3.42Å; Q341-Q345 PolarHBondContact O-N 2.84Å; Q341-L613 HydrophobicContact CG-CD1 3.82Å
342T97.9Very high97.9Very high92 Ų9237.2 Ų37.256%0.56419%0.192SC*.Hα-helixtrans-68.5-32.1175.254.50000112.8Y340 K346Y340-T342 PolarHBondContact O-N 3.26Å; Y340-T342 VanDerWaalsContact O-N 3.11Å; T342-K346 WeakPolarHBondContact O-CG 3.39Å; T342-K346 PolarHBondContact O-N 3.29Å
343Q98.8Very high98.2Very high15 Ų1536 Ų367%0.0719%0.186CC..Hα-helixtrans-73.8-40.4172.5-170.672.6-11.800110.8S320 V337 L338 Y340 K346 L347 A411S320-Q343 PolarHBondContact OG-NE2 2.87Å; V337-Q343 WeakPolarHBondContact O-CB 3.33Å; V337-Q343 WeakPolarHBondContact O-CG 3.45Å; L338-Q343 HydrophobicContact CD1-CG 4.35Å; Y340-Q343 WeakPolarHBondContact O-CB 3.39Å; Y340-Q343 PolarHBondContact O-N 2.97Å; Q343-K346 WeakPolarHBondContact O-CB 3.35Å; Q343-K346 PolarHBondContact O-N 3.41Å; Q343-K346 VanDerWaalsContact O-N 3.11Å; Q343-L347 HydrophobicContact CG-CD1 4.21Å; Q343-L347 PolarHBondContact O-N 3.22Å; Q343-L347 VanDerWaalsContact O-N 3.11Å; Q343-A411 PolarHBondContact NE2-O 3.5Å
344Q98.7Very high98.3Very high11 Ų1131.3 Ų31.35%0.05116%0.155CC..Hα-helixtrans-59.1-48174.7-63175.18.900111.3L338 D339 Y340 Q341 K346 L347 F348 L613L338-Q344 WeakPolarHBondContact O-CG 3.4Å; L338-Q344 PolarHBondContact O-NE2 3.08Å; D339-Q344 PolarHBondContact O-NE2 3.31Å; Y340-Q344 WeakPolarHBondContact O-CG 3.47Å; Y340-Q344 PolarHBondContact O-N 3.44Å; Y340-Q344 VanDerWaalsContact O-N 3.11Å; Q341-Q344 WeakPolarHBondContact O-CB 3.31Å; Q341-Q344 PolarHBondContact O-N 3.02Å; Q344-K346 PolarHBondContact O-N 2.95Å; Q344-L347 PolarHBondContact O-N 2.93Å; Q344-F348 HydrophobicContact CB-CD2 3.65Å; Q344-F348 HydrophobicContact CB-CE2 3.36Å; Q344-F348 HydrophobicContact CB-CG 4.47Å; Q344-F348 HydrophobicContact CB-CZ 3.97Å; Q344-F348 HydrophobicContact CG-CD2 4.22Å; Q344-F348 HydrophobicContact CG-CE2 3.4Å; Q344-F348 HydrophobicContact CG-CZ 3.69Å; Q344-F348 WeakPolarHBondContact O-CB 3.43Å; Q344-F348 WeakPolarHBondContact O-CG 3.45Å; Q344-F348 PolarHBondContact O-N 3.39Å; Q344-L613 HydrophobicContact CB-CB 4.22Å; Q344-L613 HydrophobicContact CB-CD1 4.46Å; Q344-L613 HydrophobicContact CB-CD2 4.4Å
345Q97.8Very high98.4Very high98 Ų9827 Ų2746%0.45814%0.135SC..Hα-helixtrans-56.6-34.3173.4161176.8-71.400112.9Q341 P349 L613Q341-Q345 WeakPolarHBondContact O-CB 3.42Å; Q341-Q345 PolarHBondContact O-N 2.84Å; Q345-P349 WeakPolarHBondContact O-CD 3.49Å; Q345-P349 VanDerWaalsContact O-CG 3.28Å; Q345-P349 WeakPolarHBondContact O-CG 3.36Å; Q345-L613 HydrophobicContact CB-CD1 4.13Å
346K98.2Very high98.4Very high76 Ų7626.5 Ų26.533%0.3313%0.131SC..Hα-helixtrans-72.7-39.4177.9-76175.7-178.3172.70112.1T342 Q343 Q344 Q350 M407T342-K346 WeakPolarHBondContact O-CG 3.39Å; T342-K346 PolarHBondContact O-N 3.29Å; Q343-K346 WeakPolarHBondContact O-CB 3.35Å; Q343-K346 PolarHBondContact O-N 3.41Å; Q343-K346 VanDerWaalsContact O-N 3.11Å; Q344-K346 PolarHBondContact O-N 2.95Å; K346-Q350 VanDerWaalsContact O-CG 3.25Å; K346-Q350 WeakPolarHBondContact O-CG 3.15Å; K346-M407 HydrophobicContact CB-CG 3.96Å; K346-M407 HydrophobicContact CB-SD 4.17Å; K346-M407 HydrophobicContact CD-SD 4.29Å; K346-M407 HydrophobicContact CG-CG 4.28Å; K346-M407 HydrophobicContact CG-SD 3.81Å; K346-M407 WeakPolarHBondContact O-CG 3.34Å
347L98.8Very high98.5Very high1 Ų125.8 Ų25.81%0.00513%0.128CC..Hα-helixtrans-97.7-43.3-168.3-65.1-179.8000113.8A316 S320 L338 Q343 Q344 Q350 L351 A411A316-L347 HydrophobicContact CB-CD1 4.48Å; A316-L347 HydrophobicContact CB-CD2 3.65Å; S320-L347 WeakPolarHBondContact OG-CD1 3.46Å; L338-L347 HydrophobicContact CD1-CD1 3.88Å; Q343-L347 HydrophobicContact CG-CD1 4.21Å; Q343-L347 PolarHBondContact O-N 3.22Å; Q343-L347 VanDerWaalsContact O-N 3.11Å; Q344-L347 PolarHBondContact O-N 2.93Å; L347-Q350 WeakPolarHBondContact O-CA 3.47Å; L347-Q350 WeakPolarHBondContact O-CB 3.34Å; L347-Q350 PolarHBondContact O-N 3.24Å; L347-L351 PolarHBondContact O-N 3.36Å; L347-A411 HydrophobicContact CD2-CB 3.71Å; L347-A411 HydrophobicContact CG-CB 4.26Å
348F98.9Very high98.5Very high0 Ų025.8 Ų25.80%013%0.126CC..Hα-helixtrans-68.3-35.3-170.8-58.8-17.2000114.1L338 Q344 Q350 L351 A352 L578 L613 I616 R617 A620L338-F348 HydrophobicContact CD1-CE1 3.89Å; L338-F348 HydrophobicContact CD1-CZ 4.01Å; L338-F348 HydrophobicContact CG-CZ 4.34Å; Q344-F348 HydrophobicContact CB-CD2 3.65Å; Q344-F348 HydrophobicContact CB-CE2 3.36Å; Q344-F348 HydrophobicContact CB-CG 4.47Å; Q344-F348 HydrophobicContact CB-CZ 3.97Å; Q344-F348 HydrophobicContact CG-CD2 4.22Å; Q344-F348 HydrophobicContact CG-CE2 3.4Å; Q344-F348 HydrophobicContact CG-CZ 3.69Å; Q344-F348 WeakPolarHBondContact O-CB 3.43Å; Q344-F348 WeakPolarHBondContact O-CG 3.45Å; Q344-F348 PolarHBondContact O-N 3.39Å; F348-Q350 PolarHBondContact O-N 3.48Å; F348-L351 PolarHBondContact O-N 3.45Å; F348-A352 WeakPolarHBondContact O-CB 3.26Å; F348-A352 PolarHBondContact O-N 3.22Å; F348-L578 HydrophobicContact CB-CD2 3.64Å; F348-L613 HydrophobicContact CB-CD2 4.03Å; F348-L613 HydrophobicContact CD2-CB 4.36Å; F348-L613 HydrophobicContact CD2-CD2 3.84Å; F348-L613 VanDerWaalsContact CE2-O 3.26Å; F348-L613 WeakPolarHBondContact CE2-O 3.3Å; F348-L613 HydrophobicContact CG-CD2 4.42Å; F348-I616 HydrophobicContact CB-CG2 4.19Å; F348-I616 HydrophobicContact CD1-CG2 4.2Å; F348-I616 HydrophobicContact CD2-CB 4.13Å; F348-I616 HydrophobicContact CD2-CG2 3.94Å; F348-I616 HydrophobicContact CE2-CG2 4.39Å; F348-I616 HydrophobicContact CG-CG2 3.85Å; F348-R617 HydrophobicContact CE2-CB 3.81Å; F348-R617 HydrophobicContact CZ-CB 3.93Å; F348-A620 HydrophobicContact CD1-CB 4.48Å; F348-A620 HydrophobicContact CE1-CB 3.65Å; F348-A620 HydrophobicContact CZ-CB 4.08Å
349P98.8Very high98.5Very high3 Ų327 Ų272%0.01913%0.132CC..Hα-helixtrans-60.5-33.8169.2-27.137.7000113Q345 A352 I353 L578 Y609Q345-P349 WeakPolarHBondContact O-CD 3.49Å; Q345-P349 VanDerWaalsContact O-CG 3.28Å; Q345-P349 WeakPolarHBondContact O-CG 3.36Å; P349-A352 PolarHBondContact O-N 2.77Å; P349-I353 WeakPolarHBondContact O-CB 3.37Å; P349-I353 WeakPolarHBondContact O-CG2 3.4Å; P349-I353 PolarHBondContact O-N 2.95Å; P349-L578 HydrophobicContact CG-CD2 4.47Å; P349-Y609 HydrophobicContact CG-CE2 4.4Å; P349-Y609 WeakPolarHBondContact CG-OH 3.36Å
350Q98.8Very high98.4Very high23 Ų2324.7 Ų24.711%0.10712%0.119CC..Hα-helixtrans-73.6-35.6177.7-44.7-49.3-36.500111.6L309 K346 L347 F348 I353 S354 M407L309-Q350 HydrophobicContact CD1-CB 4.45Å; K346-Q350 VanDerWaalsContact O-CG 3.25Å; K346-Q350 WeakPolarHBondContact O-CG 3.15Å; L347-Q350 WeakPolarHBondContact O-CA 3.47Å; L347-Q350 WeakPolarHBondContact O-CB 3.34Å; L347-Q350 PolarHBondContact O-N 3.24Å; F348-Q350 PolarHBondContact O-N 3.48Å; Q350-I353 WeakPolarHBondContact O-CG2 3.23Å; Q350-S354 WeakPolarHBondContact O-CB 3.21Å; Q350-S354 PolarHBondContact O-N 3.09Å; Q350-M407 HydrophobicContact CG-CB 4.42Å
351L98.8Very high98.4Very high0 Ų022.5 Ų22.50%011%0.111CC..Hα-helixtrans-65.2-49.2170.9-174.958.5000110.6L347 F348 I353 S354 Y355 L623 T624 F627L347-L351 PolarHBondContact O-N 3.36Å; F348-L351 PolarHBondContact O-N 3.45Å; L351-I353 PolarHBondContact O-N 2.82Å; L351-S354 PolarHBondContact O-N 3.43Å; L351-S354 VanDerWaalsContact O-N 3.15Å; L351-S354 PolarHBondContact O-OG 3.44Å; L351-Y355 HydrophobicContact CD1-CD2 4.27Å; L351-Y355 HydrophobicContact CD1-CE2 3.84Å; L351-Y355 HydrophobicContact CG-CE2 4.31Å; L351-Y355 WeakPolarHBondContact O-CD2 3.28Å; L351-Y355 PolarHBondContact O-N 3.35Å; L351-L623 HydrophobicContact CD2-CB 3.93Å; L351-L623 HydrophobicContact CD2-CD1 3.94Å; L351-T624 HydrophobicContact CD1-CG2 4.03Å; L351-T624 HydrophobicContact CD2-CG2 4.44Å; L351-F627 HydrophobicContact CD1-CE2 3.7Å; L351-F627 HydrophobicContact CD1-CZ 3.95Å
352A98.9Very high98.4Very high0 Ų020.7 Ų20.70%011%0.106CC..Hα-helixtrans-58.6-47.4179.900000112.7F348 P349 S354 Y355 A356 L575 L578 H579F348-A352 WeakPolarHBondContact O-CB 3.26Å; F348-A352 PolarHBondContact O-N 3.22Å; P349-A352 PolarHBondContact O-N 2.77Å; A352-S354 VanDerWaalsContact C-N 3.28Å; A352-S354 PolarHBondContact O-N 2.75Å; A352-Y355 PolarHBondContact O-N 2.86Å; A352-A356 PolarHBondContact O-N 2.94Å; A352-L575 HydrophobicContact CB-CB 4.07Å; A352-L575 HydrophobicContact CB-CD2 4.06Å; A352-L575 WeakPolarHBondContact CB-O 3.48Å; A352-L578 HydrophobicContact CB-CB 4.43Å; A352-L578 HydrophobicContact CB-CD2 4.14Å; A352-H579 HydrophobicContact CB-CB 4.09Å
353I98.6Very high98.4Very high7 Ų718.6 Ų18.64%0.03610%0.095CC..Hα-helixtrans-66.6-30.2178.4-161168.3000112.5L309 P349 Q350 L351 Y355 A356 F357 F400L309-I353 HydrophobicContact CD2-CG2 3.98Å; P349-I353 WeakPolarHBondContact O-CB 3.37Å; P349-I353 WeakPolarHBondContact O-CG2 3.4Å; P349-I353 PolarHBondContact O-N 2.95Å; Q350-I353 WeakPolarHBondContact O-CG2 3.23Å; L351-I353 PolarHBondContact O-N 2.82Å; I353-Y355 VanDerWaalsContact C-N 3.3Å; I353-Y355 PolarHBondContact O-N 3.25Å; I353-A356 PolarHBondContact O-N 3.42Å; I353-F357 HydrophobicContact CD1-CD2 4.5Å; I353-F357 HydrophobicContact CD1-CE1 4.11Å; I353-F357 HydrophobicContact CD1-CE2 3.69Å; I353-F357 HydrophobicContact CD1-CZ 3.46Å; I353-F357 VanDerWaalsContact CD1-CZ 3.46Å; I353-F357 HydrophobicContact CG1-CD1 4.19Å; I353-F357 HydrophobicContact CG1-CD2 3.92Å; I353-F357 HydrophobicContact CG1-CE1 3.9Å; I353-F357 HydrophobicContact CG1-CE2 3.59Å; I353-F357 HydrophobicContact CG1-CG 4.21Å; I353-F357 HydrophobicContact CG1-CZ 3.59Å; I353-F357 VanDerWaalsContact O-CB 3.3Å; I353-F357 WeakPolarHBondContact O-CB 3.49Å; I353-F357 WeakPolarHBondContact O-CG 3.33Å; I353-F357 PolarHBondContact O-N 3.21Å; I353-F400 HydrophobicContact CD1-CB 3.75Å; I353-F400 HydrophobicContact CD1-CD1 3.21Å; I353-F400 HydrophobicContact CD1-CE1 4.05Å; I353-F400 HydrophobicContact CD1-CG 3.74Å
354S98.6Very high98.3Very high0 Ų018.3 Ų18.30%09%0.094CC..Hα-helixtrans-65.5-32.4175.376.30000113L306 Q350 L351 A352 H358 F627L306-S354 WeakPolarHBondContact CD1-O 3.42Å; Q350-S354 WeakPolarHBondContact O-CB 3.21Å; Q350-S354 PolarHBondContact O-N 3.09Å; L351-S354 PolarHBondContact O-N 3.43Å; L351-S354 VanDerWaalsContact O-N 3.15Å; L351-S354 PolarHBondContact O-OG 3.44Å; A352-S354 VanDerWaalsContact C-N 3.28Å; A352-S354 PolarHBondContact O-N 2.75Å; S354-H358 WeakPolarHBondContact O-CB 3.42Å; S354-H358 PolarHBondContact O-N 3.43Å; S354-F627 WeakPolarHBondContact OG-CZ 3.39Å
355Y98.8Very high98.2Very high0 Ų020.1 Ų20.10%010%0.104CC..Hα-helixtrans-76.3-42.7171.9-81.5-87.5000112L36 L40 L351 A352 I353 F357 H358 F359 L572 L575 L623 F627L36-Y355 HydrophobicContact CD1-CE1 4.33Å; L36-Y355 HydrophobicContact CD2-CE1 4.12Å; L40-Y355 HydrophobicContact CD1-CE1 3.93Å; L40-Y355 HydrophobicContact CD2-CD1 4.1Å; L40-Y355 HydrophobicContact CD2-CE1 3.94Å; L40-Y355 HydrophobicContact CG-CE1 4.46Å; L351-Y355 HydrophobicContact CD1-CD2 4.27Å; L351-Y355 HydrophobicContact CD1-CE2 3.84Å; L351-Y355 HydrophobicContact CG-CE2 4.31Å; L351-Y355 WeakPolarHBondContact O-CD2 3.28Å; L351-Y355 PolarHBondContact O-N 3.35Å; A352-Y355 PolarHBondContact O-N 2.86Å; I353-Y355 VanDerWaalsContact C-N 3.3Å; I353-Y355 PolarHBondContact O-N 3.25Å; Y355-F357 VanDerWaalsContact C-N 3.31Å; Y355-F357 PolarHBondContact O-N 3.45Å; Y355-H358 WeakPolarHBondContact O-CB 3.41Å; Y355-H358 PolarHBondContact O-N 3.03Å; Y355-H358 VanDerWaalsContact O-N 3.1Å; Y355-F359 HydrophobicContact CD1-CE2 4.38Å; Y355-F359 WeakPolarHBondContact O-CD2 3.35Å; Y355-F359 PolarHBondContact O-N 3.02Å; Y355-L572 HydrophobicContact CD1-CD2 3.53Å; Y355-L572 HydrophobicContact CE1-CD2 3.68Å; Y355-L572 HydrophobicContact CG-CD2 4.11Å; Y355-L575 HydrophobicContact CD2-CD1 3.4Å; Y355-L575 HydrophobicContact CE2-CD1 3.79Å; Y355-L575 HydrophobicContact CG-CD1 3.86Å; Y355-L623 HydrophobicContact CE2-CB 4.3Å; Y355-L623 HydrophobicContact CE2-CD2 4.17Å; Y355-L623 PolarHBondContact OH-O 3.46Å; Y355-F627 HydrophobicContact CD2-CE1 4.25Å; Y355-F627 AromaticContact CD2-CZ 3.86Å; Y355-F627 HydrophobicContact CD2-CZ 3.86Å; Y355-F627 HydrophobicContact CE1-CE1 4.09Å; Y355-F627 AromaticContact CE2-CE1 3.77Å; Y355-F627 HydrophobicContact CE2-CE1 3.77Å; Y355-F627 HydrophobicContact CE2-CE2 4.23Å; Y355-F627 AromaticContact CE2-CZ 3.36Å; Y355-F627 HydrophobicContact CE2-CZ 3.36Å; Y355-F627 AromaticContact CZ-CE1 3.68Å; Y355-F627 AromaticContact CZ-CZ 3.76Å
356A98.7Very high98.1Very high0 Ų020.5 Ų20.50%011%0.105CC..Hα-helixtrans-55.3-48.917600000111.3A352 I353 H358 F359 L360 T551 F555A352-A356 PolarHBondContact O-N 2.94Å; I353-A356 PolarHBondContact O-N 3.42Å; A356-H358 VanDerWaalsContact C-N 3.33Å; A356-H358 PolarHBondContact O-N 3.2Å; A356-F359 PolarHBondContact O-N 3.13Å; A356-L360 VanDerWaalsContact O-CB 3.3Å; A356-L360 WeakPolarHBondContact O-CB 3.38Å; A356-L360 PolarHBondContact O-N 3.23Å; A356-T551 HydrophobicContact CB-CG2 3.98Å; A356-F555 VanDerWaalsContact CA-CD1 3.5Å; A356-F555 HydrophobicContact CB-CB 4.3Å; A356-F555 HydrophobicContact CB-CD1 3.37Å; A356-F555 HydrophobicContact CB-CE1 3.85Å; A356-F555 HydrophobicContact CB-CG 4.04Å
357F98.8Very high98Very high0 Ų019.1 Ų19.10%010%0.1CC..Hα-helixtrans-67.1-29.5177.1-74.4-13.3000114L306 I353 Y355 L360 A361 M396 M397 F400 T551L306-F357 HydrophobicContact CD1-CB 3.88Å; L306-F357 HydrophobicContact CD2-CB 4.38Å; I353-F357 HydrophobicContact CD1-CD2 4.5Å; I353-F357 HydrophobicContact CD1-CE1 4.11Å; I353-F357 HydrophobicContact CD1-CE2 3.69Å; I353-F357 HydrophobicContact CD1-CZ 3.46Å; I353-F357 VanDerWaalsContact CD1-CZ 3.46Å; I353-F357 HydrophobicContact CG1-CD1 4.19Å; I353-F357 HydrophobicContact CG1-CD2 3.92Å; I353-F357 HydrophobicContact CG1-CE1 3.9Å; I353-F357 HydrophobicContact CG1-CE2 3.59Å; I353-F357 HydrophobicContact CG1-CG 4.21Å; I353-F357 HydrophobicContact CG1-CZ 3.59Å; I353-F357 VanDerWaalsContact O-CB 3.3Å; I353-F357 WeakPolarHBondContact O-CB 3.49Å; I353-F357 WeakPolarHBondContact O-CG 3.33Å; I353-F357 PolarHBondContact O-N 3.21Å; Y355-F357 VanDerWaalsContact C-N 3.31Å; Y355-F357 PolarHBondContact O-N 3.45Å; F357-L360 HydrophobicContact CD1-CD2 4.4Å; F357-A361 WeakPolarHBondContact O-CB 3.25Å; F357-A361 PolarHBondContact O-N 3.3Å; F357-M396 HydrophobicContact CE1-CG 4.19Å; F357-M396 HydrophobicContact CE1-SD 4.44Å; F357-M396 HydrophobicContact CZ-CG 3.96Å; F357-M397 HydrophobicContact CB-CE 3.77Å; F357-M397 HydrophobicContact CB-CG 4.39Å; F357-M397 HydrophobicContact CB-SD 4.34Å; F357-M397 HydrophobicContact CD1-CG 3.77Å; F357-M397 HydrophobicContact CD1-SD 4.47Å; F357-M397 HydrophobicContact CD2-CB 4.24Å; F357-M397 HydrophobicContact CD2-CE 4.33Å; F357-M397 HydrophobicContact CD2-CG 3.81Å; F357-M397 HydrophobicContact CE1-CG 3.88Å; F357-M397 HydrophobicContact CE2-CB 4.14Å; F357-M397 HydrophobicContact CE2-CG 3.91Å; F357-M397 HydrophobicContact CG-CE 4.11Å; F357-M397 HydrophobicContact CG-CG 3.74Å; F357-M397 HydrophobicContact CG-SD 4.3Å; F357-M397 HydrophobicContact CZ-CB 4.44Å; F357-M397 HydrophobicContact CZ-CG 3.94Å; F357-F400 HydrophobicContact CE2-CB 3.78Å; F357-F400 HydrophobicContact CZ-CB 3.9Å; F357-F400 HydrophobicContact CZ-CG 4.27Å; F357-T551 HydrophobicContact CD1-CG2 4.04Å; F357-T551 HydrophobicContact CE1-CG2 3.98Å
358H98.6Very high97.9Very high21 Ų2119.7 Ų19.710%0.09710%0.102CC..Hα-helixtrans-60.8-57.2174.4179.481.2000110.7L40 L306 S354 Y355 A356 L360 A361 V362L40-H358 VanDerWaalsContact CD2-CD2 3.44Å; L40-H358 WeakPolarHBondContact CD2-CD2 3.28Å; L40-H358 PolarHBondContact O-CE1 3.26Å; L40-H358 PolarHBondContact O-NE2 2.91Å; L306-H358 HydrophobicContact CD2-CB 3.77Å; S354-H358 WeakPolarHBondContact O-CB 3.42Å; S354-H358 PolarHBondContact O-N 3.43Å; Y355-H358 WeakPolarHBondContact O-CB 3.41Å; Y355-H358 PolarHBondContact O-N 3.03Å; Y355-H358 VanDerWaalsContact O-N 3.1Å; A356-H358 VanDerWaalsContact C-N 3.33Å; A356-H358 PolarHBondContact O-N 3.2Å; H358-L360 VanDerWaalsContact C-N 3.31Å; H358-L360 PolarHBondContact O-N 3.23Å; H358-A361 PolarHBondContact O-N 3.39Å; H358-V362 WeakPolarHBondContact O-CG2 3.44Å; H358-V362 PolarHBondContact O-N 3.38Å
359F97.9Very high97.7Very high26 Ų2625 Ų2511%0.11413%0.127CC..Hα-helixtrans-64.5-37.9-178.3-66-64.1000112.4I39 L40 Y355 A356 V362 S363 F555 A558 L572I39-F359 HydrophobicContact CG2-CE1 4.22Å; I39-F359 HydrophobicContact CG2-CZ 4.5Å; L40-F359 HydrophobicContact CD2-CZ 4.45Å; Y355-F359 HydrophobicContact CD1-CE2 4.38Å; Y355-F359 WeakPolarHBondContact O-CD2 3.35Å; Y355-F359 PolarHBondContact O-N 3.02Å; A356-F359 PolarHBondContact O-N 3.13Å; F359-V362 PolarHBondContact O-N 3.31Å; F359-S363 WeakPolarHBondContact O-CB 3.34Å; F359-S363 PolarHBondContact O-N 3.26Å; F359-F555 AromaticContact CD2-CD2 3.75Å; F359-F555 HydrophobicContact CD2-CD2 3.75Å; F359-F555 AromaticContact CD2-CE2 3.63Å; F359-F555 HydrophobicContact CD2-CE2 3.63Å; F359-F555 HydrophobicContact CE2-CD2 4.3Å; F359-F555 AromaticContact CE2-CE2 3.74Å; F359-F555 HydrophobicContact CE2-CE2 3.74Å; F359-A558 HydrophobicContact CB-CB 3.59Å; F359-A558 HydrophobicContact CD1-CB 3.82Å; F359-A558 HydrophobicContact CD2-CB 4.1Å; F359-A558 HydrophobicContact CG-CB 3.57Å; F359-L572 HydrophobicContact CE2-CD1 4Å; F359-L572 HydrophobicContact CZ-CD1 3.82Å
360L97.5Very high97.6Very high11 Ų1131 Ų316%0.05815%0.154CC..Hα-helixtrans-63.6-45175.8-178.261.1000112.5A356 F357 H358 V362 S363 L364 M393 V550 T551A356-L360 VanDerWaalsContact O-CB 3.3Å; A356-L360 WeakPolarHBondContact O-CB 3.38Å; A356-L360 PolarHBondContact O-N 3.23Å; F357-L360 HydrophobicContact CD1-CD2 4.4Å; H358-L360 VanDerWaalsContact C-N 3.31Å; H358-L360 PolarHBondContact O-N 3.23Å; L360-V362 VanDerWaalsContact C-N 3.35Å; L360-S363 PolarHBondContact O-N 3.01Å; L360-L364 WeakPolarHBondContact O-CB 3.49Å; L360-L364 PolarHBondContact O-N 3.43Å; L360-M393 HydrophobicContact CD1-SD 4.35Å; L360-M393 HydrophobicContact CD2-CG 4.24Å; L360-M393 HydrophobicContact CD2-SD 3.4Å; L360-M393 WeakPolarHBondContact CD2-SD 3.49Å; L360-M393 HydrophobicContact CG-CG 4.44Å; L360-M393 HydrophobicContact CG-SD 4.11Å; L360-V550 HydrophobicContact CD1-CG1 3.92Å; L360-T551 HydrophobicContact CD2-CG2 4.12Å; L360-T551 WeakPolarHBondContact CD2-OG1 3.48Å
361A97.9Very high97.4Very high2 Ų229.9 Ų29.92%0.01715%0.149CC..Hα-helixtrans-70.3-31.9-179.900000112.3L301 L302 F357 H358 L365 M397L301-A361 HydrophobicContact CB-CB 4.23Å; L302-A361 HydrophobicContact CD1-CB 4.36Å; L302-A361 HydrophobicContact CD2-CB 3.68Å; L302-A361 HydrophobicContact CG-CB 3.73Å; F357-A361 WeakPolarHBondContact O-CB 3.25Å; F357-A361 PolarHBondContact O-N 3.3Å; H358-A361 PolarHBondContact O-N 3.39Å; A361-L365 WeakPolarHBondContact O-CB 3.45Å; A361-L365 PolarHBondContact O-N 3.36Å; A361-M397 HydrophobicContact CB-CE 4.13Å; A361-M397 HydrophobicContact CB-SD 4.32Å
362V97.1Very high97.2Very high48 Ų4831.9 Ų31.929%0.29116%0.157SC..Hα-helixtrans-62.9-49.5170.2171.10000110.7L302 H358 F359 L360 L364 L365 E366L302-V362 HydrophobicContact CD1-CG2 4.26Å; L302-V362 HydrophobicContact CD2-CG2 4.34Å; H358-V362 WeakPolarHBondContact O-CG2 3.44Å; H358-V362 PolarHBondContact O-N 3.38Å; F359-V362 PolarHBondContact O-N 3.31Å; L360-V362 VanDerWaalsContact C-N 3.35Å; V362-L364 VanDerWaalsContact C-N 3.34Å; V362-L364 PolarHBondContact O-N 2.91Å; V362-L365 WeakPolarHBondContact O-CB 3.38Å; V362-L365 PolarHBondContact O-N 2.95Å; V362-L365 VanDerWaalsContact O-N 3.12Å; V362-E366 WeakPolarHBondContact O-CG 3.48Å; V362-E366 PolarHBondContact O-N 3.41Å
363S96.8Very high97Very high48 Ų4835.7 Ų35.734%0.33618%0.18SC..Hα-helixtrans-59.6-42.3176.7-179.60000112.4F359 L360 L365 E366 F367F359-S363 WeakPolarHBondContact O-CB 3.34Å; F359-S363 PolarHBondContact O-N 3.26Å; L360-S363 PolarHBondContact O-N 3.01Å; S363-L365 VanDerWaalsContact C-N 3.34Å; S363-L365 PolarHBondContact O-N 3.45Å; S363-E366 PolarHBondContact O-N 3Å; S363-F367 PolarHBondContact O-N 3.36Å
364L97.6Very high96.8Very high10 Ų1036.2 Ų36.25%0.05219%0.185CC..Hα-helixtrans-63.7-37.8175.2178.761.4000112.3V298 L301 L360 V362 F367 F368 L386 L389 M393V298-L364 HydrophobicContact CG1-CG 4.31Å; V298-L364 HydrophobicContact CG2-CD2 4.33Å; V298-L364 HydrophobicContact CG2-CG 4.25Å; L301-L364 HydrophobicContact CD1-CD2 3.79Å; L360-L364 WeakPolarHBondContact O-CB 3.49Å; L360-L364 PolarHBondContact O-N 3.43Å; V362-L364 VanDerWaalsContact C-N 3.34Å; V362-L364 PolarHBondContact O-N 2.91Å; L364-F367 PolarHBondContact O-N 3.23Å; L364-F368 VanDerWaalsContact O-CB 3.26Å; L364-F368 WeakPolarHBondContact O-CB 3.28Å; L364-F368 PolarHBondContact O-N 3.4Å; L364-L386 HydrophobicContact CD1-CD1 4.39Å; L364-L389 HydrophobicContact CD1-CB 3.94Å; L364-M393 HydrophobicContact CD2-CB 4.04Å; L364-M393 HydrophobicContact CD2-CG 4.14Å
365L96.4Very high96.5Very high49 Ų4936.2 Ų36.226%0.25719%0.186SC..Hα-helixtrans-65.1-42.3176.3179.363.8000111.5V298 L302 A361 V362 S363 F368 Q369V298-L365 HydrophobicContact CG1-CB 4.23Å; V298-L365 HydrophobicContact CG1-CD1 3.91Å; L302-L365 HydrophobicContact CD1-CB 4.42Å; L302-L365 HydrophobicContact CD1-CD2 3.98Å; A361-L365 WeakPolarHBondContact O-CB 3.45Å; A361-L365 PolarHBondContact O-N 3.36Å; V362-L365 WeakPolarHBondContact O-CB 3.38Å; V362-L365 PolarHBondContact O-N 2.95Å; V362-L365 VanDerWaalsContact O-N 3.12Å; S363-L365 VanDerWaalsContact C-N 3.34Å; S363-L365 PolarHBondContact O-N 3.45Å; L365-F368 HydrophobicContact CD1-CD1 4.2Å; L365-F368 WeakPolarHBondContact O-CB 3.47Å; L365-F368 PolarHBondContact O-N 2.88Å; L365-Q369 WeakPolarHBondContact O-CG 3.25Å; L365-Q369 PolarHBondContact O-N 2.92Å
366E95.6Very high96.2Very high106 Ų10638.6 Ų38.650%0.49520%0.198SC..Hα-helixtrans-60.7-47.2174.9-69.4172.6177.100111.1V362 S363 F368 Q369 H370V362-E366 WeakPolarHBondContact O-CG 3.48Å; V362-E366 PolarHBondContact O-N 3.41Å; S363-E366 PolarHBondContact O-N 3Å; E366-F368 VanDerWaalsContact C-N 3.34Å; E366-F368 PolarHBondContact O-N 2.96Å; E366-Q369 PolarHBondContact O-N 2.82Å; E366-H370 PolarHBondContact O-N 2.88Å
367F96.9Very high95.8Very high47 Ų4744.5 Ų44.521%0.20623%0.229CC..Hα-helixtrans-62.5-41.3176.2-177.7-123.9000112.2S363 L364 H370 A371 L382 E385 L386 L389S363-F367 PolarHBondContact O-N 3.36Å; L364-F367 PolarHBondContact O-N 3.23Å; F367-H370 PolarHBondContact O-N 3.39Å; F367-A371 WeakPolarHBondContact O-CB 3.47Å; F367-A371 PolarHBondContact O-N 2.94Å; F367-L382 HydrophobicContact CE2-CD1 4.47Å; F367-L382 HydrophobicContact CE2-CD2 4.29Å; F367-L382 HydrophobicContact CZ-CB 4.43Å; F367-L382 HydrophobicContact CZ-CD2 4.45Å; F367-E385 HydrophobicContact CE1-CB 4.4Å; F367-E385 HydrophobicContact CE1-CG 4.02Å; F367-E385 HydrophobicContact CZ-CB 4.27Å; F367-E385 HydrophobicContact CZ-CG 4.05Å; F367-L386 HydrophobicContact CD1-CB 4.45Å; F367-L386 HydrophobicContact CD1-CD1 4.02Å; F367-L386 HydrophobicContact CE1-CB 3.89Å; F367-L386 HydrophobicContact CE1-CD1 4.31Å; F367-L389 HydrophobicContact CD1-CD1 4.13Å; F367-L389 HydrophobicContact CE1-CD1 4.07Å
368F96.6Very high95.4Very high13 Ų1351.2 Ų51.26%0.05726%0.255CS..Hα-helixtrans-59.5-46.7175.1166.4-97.5000111.9V294 V295 V298 L364 L365 E366 H370 A371 Y372 L386V294-F368 HydrophobicContact CG1-CD2 4.22Å; V294-F368 HydrophobicContact CG1-CE2 4.29Å; V295-F368 HydrophobicContact CB-CE2 4.32Å; V295-F368 HydrophobicContact CB-CZ 3.93Å; V295-F368 HydrophobicContact CG1-CE1 4.47Å; V295-F368 HydrophobicContact CG1-CZ 3.89Å; V295-F368 HydrophobicContact CG2-CE2 3.92Å; V295-F368 HydrophobicContact CG2-CZ 3.62Å; V298-F368 HydrophobicContact CB-CB 4.46Å; V298-F368 HydrophobicContact CB-CD2 4.48Å; V298-F368 HydrophobicContact CB-CG 4.26Å; V298-F368 HydrophobicContact CG1-CB 3.98Å; V298-F368 HydrophobicContact CG1-CD1 4.39Å; V298-F368 HydrophobicContact CG1-CG 4.14Å; V298-F368 HydrophobicContact CG2-CB 4.12Å; V298-F368 HydrophobicContact CG2-CD2 4.05Å; V298-F368 HydrophobicContact CG2-CG 4.12Å; L364-F368 VanDerWaalsContact O-CB 3.26Å; L364-F368 WeakPolarHBondContact O-CB 3.28Å; L364-F368 PolarHBondContact O-N 3.4Å; L365-F368 HydrophobicContact CD1-CD1 4.2Å; L365-F368 WeakPolarHBondContact O-CB 3.47Å; L365-F368 PolarHBondContact O-N 2.88Å; E366-F368 VanDerWaalsContact C-N 3.34Å; E366-F368 PolarHBondContact O-N 2.96Å; F368-H370 VanDerWaalsContact C-N 3.31Å; F368-H370 PolarHBondContact O-N 3.3Å; F368-A371 PolarHBondContact O-N 2.83Å; F368-Y372 HydrophobicContact CE1-CG 4.46Å; F368-Y372 AromaticContact CE2-CD2 3.95Å; F368-Y372 HydrophobicContact CE2-CD2 3.95Å; F368-Y372 HydrophobicContact CE2-CG 4.35Å; F368-Y372 AromaticContact CZ-CD2 3.68Å; F368-Y372 HydrophobicContact CZ-CD2 3.68Å; F368-Y372 HydrophobicContact CZ-CE2 4.38Å; F368-Y372 AromaticContact CZ-CG 3.92Å; F368-Y372 HydrophobicContact CZ-CG 3.92Å; F368-Y372 WeakPolarHBondContact O-CB 3.41Å; F368-Y372 PolarHBondContact O-N 2.75Å; F368-L386 HydrophobicContact CB-CD1 3.93Å; F368-L386 HydrophobicContact CD2-CD1 4.18Å; F368-L386 HydrophobicContact CD2-CD2 4.03Å
369Q94.8Very high95.1Very high111 Ų11153.8 Ų53.852%0.51927%0.269SS..Hα-helixtrans-60.5-41.9-179.4-74.2171-8.200111.9L365 E366 T373L365-Q369 WeakPolarHBondContact O-CG 3.25Å; L365-Q369 PolarHBondContact O-N 2.92Å; E366-Q369 PolarHBondContact O-N 2.82Å; Q369-T373 PolarHBondContact O-N 2.91Å; Q369-T373 PolarHBondContact O-OG1 3.26Å
370H95.3Very high94.9Very high128 Ų12854.4 Ų54.459%0.59327%0.272SS*.Hα-helixtrans-63.4-52175.4-178.265000111.7E366 F367 F368 Y372 T373 A374 L382E366-H370 PolarHBondContact O-N 2.88Å; F367-H370 PolarHBondContact O-N 3.39Å; F368-H370 VanDerWaalsContact C-N 3.31Å; F368-H370 PolarHBondContact O-N 3.3Å; H370-Y372 PolarHBondContact O-N 3.18Å; H370-T373 PolarHBondContact O-N 3.32Å; H370-A374 PolarHBondContact O-N 3.34Å; H370-L382 VanDerWaalsContact CD2-CD1 3.48Å; H370-L382 WeakPolarHBondContact CD2-CD1 3.44Å
371A95.3Very high94.6Very high0 Ų056.2 Ų56.20%029%0.286CS..Hα-helixtrans-65.8-36.8-179.400000113.2F367 F368 T373 A374 I375 L382 L386F367-A371 WeakPolarHBondContact O-CB 3.47Å; F367-A371 PolarHBondContact O-N 2.94Å; F368-A371 PolarHBondContact O-N 2.83Å; A371-T373 PolarHBondContact O-N 2.94Å; A371-A374 WeakPolarHBondContact O-CB 3.47Å; A371-A374 PolarHBondContact O-N 3.19Å; A371-I375 WeakPolarHBondContact O-CB 3.47Å; A371-I375 WeakPolarHBondContact O-CD1 3.5Å; A371-I375 WeakPolarHBondContact O-CG1 3.39Å; A371-I375 PolarHBondContact O-N 3.22Å; A371-L382 HydrophobicContact CB-CB 3.82Å; A371-L382 HydrophobicContact CB-CD1 4.01Å; A371-L386 HydrophobicContact CB-CB 4.49Å; A371-L386 HydrophobicContact CB-CD2 3.81Å
372Y94.6Very high94.4Very high42 Ų4258 Ų5817%0.16529%0.294CS..Hα-helixtrans-61.3-44.7177.9-175.3-101.5000111.2S128 L291 V295 F368 H370 A374 I375 L376S128-Y372 WeakPolarHBondContact CA-OH 3.48Å; S128-Y372 PolarHBondContact OG-OH 3.5Å; L291-Y372 HydrophobicContact CD1-CD2 4.05Å; L291-Y372 HydrophobicContact CD1-CE2 4.28Å; L291-Y372 HydrophobicContact CD2-CD2 4.24Å; L291-Y372 HydrophobicContact CD2-CE2 3.83Å; L291-Y372 HydrophobicContact CG-CD2 4.31Å; L291-Y372 HydrophobicContact CG-CE2 4.02Å; V295-Y372 HydrophobicContact CG2-CD2 4.09Å; V295-Y372 HydrophobicContact CG2-CE2 3.68Å; F368-Y372 HydrophobicContact CE1-CG 4.46Å; F368-Y372 AromaticContact CE2-CD2 3.95Å; F368-Y372 HydrophobicContact CE2-CD2 3.95Å; F368-Y372 HydrophobicContact CE2-CG 4.35Å; F368-Y372 AromaticContact CZ-CD2 3.68Å; F368-Y372 HydrophobicContact CZ-CD2 3.68Å; F368-Y372 HydrophobicContact CZ-CE2 4.38Å; F368-Y372 AromaticContact CZ-CG 3.92Å; F368-Y372 HydrophobicContact CZ-CG 3.92Å; F368-Y372 WeakPolarHBondContact O-CB 3.41Å; F368-Y372 PolarHBondContact O-N 2.75Å; H370-Y372 PolarHBondContact O-N 3.18Å; Y372-A374 VanDerWaalsContact C-N 3.35Å; Y372-A374 PolarHBondContact O-N 3.33Å; Y372-I375 PolarHBondContact O-N 2.61Å; Y372-L376 HydrophobicContact CD1-CD1 4.03Å; Y372-L376 HydrophobicContact CD1-CG 4.32Å; Y372-L376 HydrophobicContact CE1-CD1 3.51Å; Y372-L376 HydrophobicContact CE1-CD2 4.42Å; Y372-L376 HydrophobicContact CE1-CG 4.02Å; Y372-L376 WeakPolarHBondContact O-CG 3.46Å; Y372-L376 PolarHBondContact O-N 3.22Å
373T94.2Very high94.2Very high81 Ų8156.5 Ų56.550%0.49729%0.285SS..Hα-helixtrans-61.2-43.4176.1-55.50000111.5Q369 H370 A371 L376 N377Q369-T373 PolarHBondContact O-N 2.91Å; Q369-T373 PolarHBondContact O-OG1 3.26Å; H370-T373 PolarHBondContact O-N 3.32Å; A371-T373 PolarHBondContact O-N 2.94Å; T373-L376 PolarHBondContact O-N 2.94Å; T373-N377 PolarHBondContact O-N 3.16Å; T373-N377 PolarHBondContact O-ND2 3.21Å
374A94.4Very high94Very high17 Ų1757.7 Ų57.714%0.1429%0.292CS..Hα-helixtrans-61-44.6175.600000111.9H370 A371 Y372 L376 N377 R378 D379H370-A374 PolarHBondContact O-N 3.34Å; A371-A374 WeakPolarHBondContact O-CB 3.47Å; A371-A374 PolarHBondContact O-N 3.19Å; Y372-A374 VanDerWaalsContact C-N 3.35Å; Y372-A374 PolarHBondContact O-N 3.33Å; A374-L376 PolarHBondContact O-N 2.92Å; A374-N377 CarbonylContact O-C 3.52Å; A374-N377 VanDerWaalsContact O-C 3.3Å; A374-N377 WeakPolarHBondContact O-CA 3.48Å; A374-N377 WeakPolarHBondContact O-CB 3.45Å; A374-N377 PolarHBondContact O-N 2.95Å; A374-R378 PolarHBondContact O-N 3.4Å; A374-D379 CarbonylContact C-O 3.56Å; A374-D379 VanDerWaalsContact C-O 3.24Å; A374-D379 HydrophobicContact CB-CB 4.14Å; A374-D379 PolarHBondContact O-N 3.48Å
375I94Very high93.9Very high1 Ų158.1 Ų58.11%0.00529%0.294CS..Hα-helixtrans-63.2-41179.8-71.1161.3000111.9F271 L291 A371 Y372 N377 R378 D379 F380 L383 L386F271-I375 HydrophobicContact CZ-CG2 4.1Å; L291-I375 HydrophobicContact CD1-CD1 4.09Å; L291-I375 HydrophobicContact CD1-CG2 4.19Å; L291-I375 HydrophobicContact CD2-CG2 3.67Å; A371-I375 WeakPolarHBondContact O-CB 3.47Å; A371-I375 WeakPolarHBondContact O-CD1 3.5Å; A371-I375 WeakPolarHBondContact O-CG1 3.39Å; A371-I375 PolarHBondContact O-N 3.22Å; Y372-I375 PolarHBondContact O-N 2.61Å; I375-N377 PolarHBondContact O-N 3.22Å; I375-R378 WeakPolarHBondContact O-CA 3.34Å; I375-R378 PolarHBondContact O-N 2.7Å; I375-D379 WeakPolarHBondContact CA-O 3.3Å; I375-D379 PolarHBondContact N-O 3.07Å; I375-F380 HydrophobicContact CG1-CD1 4.33Å; I375-F380 HydrophobicContact CG2-CD1 4.12Å; I375-F380 HydrophobicContact CG2-CE1 3.85Å; I375-L383 HydrophobicContact CD1-CB 4.2Å; I375-L383 HydrophobicContact CD1-CD1 3.91Å; I375-L386 HydrophobicContact CD1-CD2 4.37Å
376L91.3Very high93.9Very high49 Ų4955.8 Ų55.826%0.25728%0.281SS..Hα-helixtrans-62.3-31174.9-68-173.4000111.9Y372 T373 A374 R378Y372-L376 HydrophobicContact CD1-CD1 4.03Å; Y372-L376 HydrophobicContact CD1-CG 4.32Å; Y372-L376 HydrophobicContact CE1-CD1 3.51Å; Y372-L376 HydrophobicContact CE1-CD2 4.42Å; Y372-L376 HydrophobicContact CE1-CG 4.02Å; Y372-L376 WeakPolarHBondContact O-CG 3.46Å; Y372-L376 PolarHBondContact O-N 3.22Å; T373-L376 PolarHBondContact O-N 2.94Å; A374-L376 PolarHBondContact O-N 2.92Å; L376-R378 PolarHBondContact O-N 2.74Å
377N91.1Very high93.8Very high124 Ų12453.6 Ų53.666%0.66327%0.271SS*.THydrogen-bonded Turntrans-86.915173-65.9-37.7000113.6T373 A374 I375 D379T373-N377 PolarHBondContact O-N 3.16Å; T373-N377 PolarHBondContact O-ND2 3.21Å; A374-N377 CarbonylContact O-C 3.52Å; A374-N377 VanDerWaalsContact O-C 3.3Å; A374-N377 WeakPolarHBondContact O-CA 3.48Å; A374-N377 WeakPolarHBondContact O-CB 3.45Å; A374-N377 PolarHBondContact O-N 2.95Å; I375-N377 PolarHBondContact O-N 3.22Å; N377-D379 VanDerWaalsContact C-N 3.26Å; N377-D379 PolarHBondContact O-N 2.75Å
378R90.2Very high93.8Very high141 Ų14151.5 Ų51.553%0.53226%0.262SS..THydrogen-bonded Turntrans65.918.8178.3-50-178.3179.4-177.6-0.4115.4A374 I375 L376 F380A374-R378 PolarHBondContact O-N 3.4Å; I375-R378 WeakPolarHBondContact O-CA 3.34Å; I375-R378 PolarHBondContact O-N 2.7Å; L376-R378 PolarHBondContact O-N 2.74Å; R378-F380 HydrophobicContact CB-CE2 4.13Å; R378-F380 VanDerWaalsContact O-CD2 3.3Å; R378-F380 WeakPolarHBondContact O-CD2 3.31Å; R378-F380 WeakPolarHBondContact O-CE2 3.43Å
379D93Very high93.9Very high76 Ų7652 Ų5241%0.40627%0.265SS..  trans-92.1111.5164.7179.98.6000110.2A374 I375 N377 S381A374-D379 CarbonylContact C-O 3.56Å; A374-D379 VanDerWaalsContact C-O 3.24Å; A374-D379 HydrophobicContact CB-CB 4.14Å; A374-D379 PolarHBondContact O-N 3.48Å; I375-D379 WeakPolarHBondContact CA-O 3.3Å; I375-D379 PolarHBondContact N-O 3.07Å; N377-D379 VanDerWaalsContact C-N 3.26Å; N377-D379 PolarHBondContact O-N 2.75Å; D379-S381 WeakPolarHBondContact OD1-CB 3.29Å; D379-S381 PolarHBondContact OD1-N 3.26Å; D379-S381 PolarHBondContact OD1-OG 3.35Å; D379-S381 PolarHBondContact OD2-OG 3.24Å
380F92Very high94Very high38 Ų3846.7 Ų46.717%0.16724%0.24CC..  trans-102.511.9-178.4-55.4-80.8000112.9F271 T285 S288 I375 R378 L382 L383F271-F380 HydrophobicContact CD1-CZ 4.12Å; F271-F380 HydrophobicContact CE1-CE1 4.12Å; F271-F380 AromaticContact CE1-CZ 3.95Å; F271-F380 HydrophobicContact CE1-CZ 3.95Å; T285-F380 HydrophobicContact CG2-CB 4.09Å; T285-F380 HydrophobicContact CG2-CD1 4.22Å; T285-F380 HydrophobicContact CG2-CD2 3.76Å; T285-F380 HydrophobicContact CG2-CE2 4.23Å; T285-F380 HydrophobicContact CG2-CG 3.75Å; S288-F380 WeakPolarHBondContact OG-CE1 3.34Å; I375-F380 HydrophobicContact CG1-CD1 4.33Å; I375-F380 HydrophobicContact CG2-CD1 4.12Å; I375-F380 HydrophobicContact CG2-CE1 3.85Å; R378-F380 HydrophobicContact CB-CE2 4.13Å; R378-F380 VanDerWaalsContact O-CD2 3.3Å; R378-F380 WeakPolarHBondContact O-CD2 3.31Å; R378-F380 WeakPolarHBondContact O-CE2 3.43Å; F380-L382 VanDerWaalsContact C-N 3.28Å; F380-L382 PolarHBondContact O-N 3.13Å; F380-L383 HydrophobicContact CD1-CD2 4.2Å; F380-L383 WeakPolarHBondContact O-CB 3.09Å; F380-L383 PolarHBondContact O-N 3.31Å
381S91.7Very high94.1Very high49 Ų4940.6 Ų40.634%0.34321%0.212SC..THydrogen-bonded Turntrans-60.1-35.4-174.961.50000113.7D379D379-S381 WeakPolarHBondContact OD1-CB 3.29Å; D379-S381 PolarHBondContact OD1-N 3.26Å; D379-S381 PolarHBondContact OD1-OG 3.35Å; D379-S381 PolarHBondContact OD2-OG 3.24Å
382L93.4Very high94.2Very high39 Ų3940.6 Ų40.620%0.20421%0.212CC..THydrogen-bonded Turntrans-88.5-13.5-179.2-60.3177.8000113.9F367 H370 A371 F380 E385 L386F367-L382 HydrophobicContact CE2-CD1 4.47Å; F367-L382 HydrophobicContact CE2-CD2 4.29Å; F367-L382 HydrophobicContact CZ-CB 4.43Å; F367-L382 HydrophobicContact CZ-CD2 4.45Å; H370-L382 VanDerWaalsContact CD2-CD1 3.48Å; H370-L382 WeakPolarHBondContact CD2-CD1 3.44Å; A371-L382 HydrophobicContact CB-CB 3.82Å; A371-L382 HydrophobicContact CB-CD1 4.01Å; F380-L382 VanDerWaalsContact C-N 3.28Å; F380-L382 PolarHBondContact O-N 3.13Å; L382-E385 PolarHBondContact O-N 3.17Å; L382-L386 WeakPolarHBondContact O-CB 3.32Å; L382-L386 PolarHBondContact O-N 3.16Å
383L92.6Very high94.3Very high17 Ų1738.8 Ų38.89%0.08921%0.205CC..Hα-helixtrans-58.4-41-174.8179.360.6000113.6Q287 I375 F380 H387Q287-L383 HydrophobicContact CB-CD2 3.94Å; I375-L383 HydrophobicContact CD1-CB 4.2Å; I375-L383 HydrophobicContact CD1-CD1 3.91Å; F380-L383 HydrophobicContact CD1-CD2 4.2Å; F380-L383 WeakPolarHBondContact O-CB 3.09Å; F380-L383 PolarHBondContact O-N 3.31Å; L383-H387 VanDerWaalsContact O-CB 3.23Å; L383-H387 WeakPolarHBondContact O-CB 3.15Å; L383-H387 PolarHBondContact O-N 2.66Å
384P93Very high94.5Very high74 Ų7434.9 Ų34.948%0.48118%0.181SC..Hα-helixtrans-62.3-44.5179.4-24.635.7000113.6H387 A388P384-H387 PolarHBondContact O-N 3.49Å; P384-A388 PolarHBondContact O-N 2.96Å
385E95.3Very high94.7Very high19 Ų1934.1 Ų34.19%0.08918%0.175CC..Hα-helixtrans-70.2-44179.1-179.9170.3-140.400111F367 L382 H387 A388 L389 F450 P471 P472 S473F367-E385 HydrophobicContact CE1-CB 4.4Å; F367-E385 HydrophobicContact CE1-CG 4.02Å; F367-E385 HydrophobicContact CZ-CB 4.27Å; F367-E385 HydrophobicContact CZ-CG 4.05Å; L382-E385 PolarHBondContact O-N 3.17Å; E385-H387 VanDerWaalsContact C-N 3.27Å; E385-H387 PolarHBondContact O-N 3.12Å; E385-A388 PolarHBondContact O-N 2.98Å; E385-L389 HydrophobicContact CG-CD1 3.91Å; E385-L389 HydrophobicContact CG-CG 4.32Å; E385-L389 WeakPolarHBondContact O-CB 3.15Å; E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 3.32Å; E385-F450 HydrophobicContact CB-CZ 4.48Å; E385-P471 HydrophobicContact CB-CB 4.25Å; E385-P471 HydrophobicContact CG-CB 4.11Å; E385-P471 WeakPolarHBondContact OE1-CB 3.17Å; E385-P472 WeakPolarHBondContact OE1-CD 3.42Å; E385-S473 WeakPolarHBondContact OE1-CB 3.39Å; E385-S473 PolarHBondContact OE1-N 3.43Å; E385-S473 PolarHBondContact OE1-OG 3.02Å
386L96Very high94.9Very high0 Ų034.2 Ų34.20%018%0.175CC..Hα-helixtrans-57.5-42.5174.8175.264.8000111.5V294 L364 F367 F368 A371 I375 L382 S390V294-L386 HydrophobicContact CG1-CD1 4.49Å; V294-L386 HydrophobicContact CG1-CD2 3.87Å; V294-L386 HydrophobicContact CG1-CG 3.95Å; L364-L386 HydrophobicContact CD1-CD1 4.39Å; F367-L386 HydrophobicContact CD1-CB 4.45Å; F367-L386 HydrophobicContact CD1-CD1 4.02Å; F367-L386 HydrophobicContact CE1-CB 3.89Å; F367-L386 HydrophobicContact CE1-CD1 4.31Å; F368-L386 HydrophobicContact CB-CD1 3.93Å; F368-L386 HydrophobicContact CD2-CD1 4.18Å; F368-L386 HydrophobicContact CD2-CD2 4.03Å; A371-L386 HydrophobicContact CB-CB 4.49Å; A371-L386 HydrophobicContact CB-CD2 3.81Å; I375-L386 HydrophobicContact CD1-CD2 4.37Å; L382-L386 WeakPolarHBondContact O-CB 3.32Å; L382-L386 PolarHBondContact O-N 3.16Å; L386-S390 WeakPolarHBondContact O-CB 3.26Å; L386-S390 PolarHBondContact O-N 2.87Å; L386-S390 PolarHBondContact O-OG 3.31Å
387H95.3Very high95.3Very high60 Ų6031.9 Ų31.928%0.27816%0.163SC..Hα-helixtrans-63.6-48.8176.8-179.171.8000111.4L383 P384 E385 S390 T391 Q446L383-H387 VanDerWaalsContact O-CB 3.23Å; L383-H387 WeakPolarHBondContact O-CB 3.15Å; L383-H387 PolarHBondContact O-N 2.66Å; P384-H387 PolarHBondContact O-N 3.49Å; E385-H387 VanDerWaalsContact C-N 3.27Å; E385-H387 PolarHBondContact O-N 3.12Å; H387-S390 PolarHBondContact O-N 3.19Å; H387-S390 PolarHBondContact O-OG 3.47Å; H387-S390 VanDerWaalsContact O-OG 3.14Å; H387-T391 WeakPolarHBondContact O-CB 3.14Å; H387-T391 WeakPolarHBondContact O-CG2 3.32Å; H387-T391 PolarHBondContact O-N 2.87Å; H387-T391 PolarHBondContact O-OG1 2.89Å; H387-Q446 PolarHBondContact CE1-OE1 3.34Å; H387-Q446 PolarHBondContact NE2-OE1 3.25Å
388A96.3Very high95.6Very high2 Ų226 Ų262%0.01713%0.131CC..Hα-helixtrans-60.7-47.517900000112.2P384 E385 T391 G392 V447 F450P384-A388 PolarHBondContact O-N 2.96Å; E385-A388 PolarHBondContact O-N 2.98Å; A388-T391 PolarHBondContact O-OG1 2.87Å; A388-G392 PolarHBondContact O-N 3.24Å; A388-V447 WeakPolarHBondContact O-CG2 3.38Å; A388-F450 HydrophobicContact CB-CB 3.84Å; A388-F450 HydrophobicContact CB-CD1 3.43Å; A388-F450 VanDerWaalsContact CB-CD1 3.43Å; A388-F450 HydrophobicContact CB-CD2 4.05Å; A388-F450 HydrophobicContact CB-CE1 3.89Å; A388-F450 HydrophobicContact CB-CE2 4.47Å; A388-F450 HydrophobicContact CB-CG 3.5Å; A388-F450 HydrophobicContact CB-CZ 4.4Å
389L97.4Very high96Very high24 Ų2421.5 Ų21.513%0.12612%0.117CC..Hα-helixtrans-64.3-50.6178.3-69.9175.1000111.5L364 F367 E385 T391 G392 M393 V550L364-L389 HydrophobicContact CD1-CB 3.94Å; F367-L389 HydrophobicContact CD1-CD1 4.13Å; F367-L389 HydrophobicContact CE1-CD1 4.07Å; E385-L389 HydrophobicContact CG-CD1 3.91Å; E385-L389 HydrophobicContact CG-CG 4.32Å; E385-L389 WeakPolarHBondContact O-CB 3.15Å; E385-L389 WeakPolarHBondContact O-CG 3.49Å; E385-L389 PolarHBondContact O-N 3.32Å; L389-T391 VanDerWaalsContact C-N 3.3Å; L389-T391 PolarHBondContact O-N 3.27Å; L389-G392 PolarHBondContact O-N 3.45Å; L389-M393 HydrophobicContact CD2-CE 4.1Å; L389-M393 WeakPolarHBondContact O-CB 3.38Å; L389-M393 WeakPolarHBondContact O-CG 3.2Å; L389-M393 PolarHBondContact O-N 2.86Å; L389-V550 HydrophobicContact CD2-CG1 4.12Å; L389-V550 HydrophobicContact CD2-CG2 4.41Å
390S97.4Very high96.3Very high0 Ų019.4 Ų19.40%010%0.104CC..Hα-helixtrans-60.2-39.9-178.464.70000112.7R297 L386 H387 K394R297-S390 VanDerWaalsContact CD-C 3.41Å; R297-S390 WeakPolarHBondContact CD-O 3.37Å; R297-S390 PolarHBondContact NH1-OG 2.89Å; L386-S390 WeakPolarHBondContact O-CB 3.26Å; L386-S390 PolarHBondContact O-N 2.87Å; L386-S390 PolarHBondContact O-OG 3.31Å; H387-S390 PolarHBondContact O-N 3.19Å; H387-S390 PolarHBondContact O-OG 3.47Å; H387-S390 VanDerWaalsContact O-OG 3.14Å; S390-K394 VanDerWaalsContact O-CB 3.26Å; S390-K394 WeakPolarHBondContact O-CB 3.37Å; S390-K394 PolarHBondContact O-N 3.19Å
391T97Very high96.6Very high0 Ų017.6 Ų17.60%010%0.096CC..Hα-helixtrans-70.4-46.9179.753.70000112H387 A388 L389 K394 A395 L443H387-T391 WeakPolarHBondContact O-CB 3.14Å; H387-T391 WeakPolarHBondContact O-CG2 3.32Å; H387-T391 PolarHBondContact O-N 2.87Å; H387-T391 PolarHBondContact O-OG1 2.89Å; A388-T391 PolarHBondContact O-OG1 2.87Å; L389-T391 VanDerWaalsContact C-N 3.3Å; L389-T391 PolarHBondContact O-N 3.27Å; T391-K394 PolarHBondContact O-N 3.42Å; T391-A395 WeakPolarHBondContact O-CB 3.08Å; T391-A395 PolarHBondContact O-N 3.12Å; T391-L443 HydrophobicContact CG2-CD2 3.84Å
392G97.9Very high96.9Very high0 Ų016.3 Ų16.30%09%0.086CC..Hα-helixtrans-61.9-47.2176.500000112.9A388 L389 A395 M396 C547A388-G392 PolarHBondContact O-N 3.24Å; L389-G392 PolarHBondContact O-N 3.45Å; G392-A395 PolarHBondContact O-N 3.41Å; G392-M396 WeakPolarHBondContact O-CB 3.49Å; G392-M396 PolarHBondContact O-N 2.97Å; G392-C547 VanDerWaalsContact CA-SG 3.56Å
393M97.5Very high97.2Very high3 Ų319.6 Ų19.62%0.01510%0.1CC..Hα-helixtrans-65.4-41.6178.5-62.5-39.712900111.6L301 L360 L364 L389 A395 M396 M397 C547 V550L301-M393 HydrophobicContact CD1-CB 4.29Å; L360-M393 HydrophobicContact CD1-SD 4.35Å; L360-M393 HydrophobicContact CD2-CG 4.24Å; L360-M393 HydrophobicContact CD2-SD 3.4Å; L360-M393 WeakPolarHBondContact CD2-SD 3.49Å; L360-M393 HydrophobicContact CG-CG 4.44Å; L360-M393 HydrophobicContact CG-SD 4.11Å; L364-M393 HydrophobicContact CD2-CB 4.04Å; L364-M393 HydrophobicContact CD2-CG 4.14Å; L389-M393 HydrophobicContact CD2-CE 4.1Å; L389-M393 WeakPolarHBondContact O-CB 3.38Å; L389-M393 WeakPolarHBondContact O-CG 3.2Å; L389-M393 PolarHBondContact O-N 2.86Å; M393-A395 PolarHBondContact O-N 2.92Å; M393-M396 PolarHBondContact O-N 3.42Å; M393-M397 HydrophobicContact CB-SD 4.46Å; M393-M397 WeakPolarHBondContact O-CB 3.33Å; M393-M397 WeakPolarHBondContact O-CG 3.16Å; M393-M397 PolarHBondContact O-N 3.19Å; M393-C547 HydrophobicContact CE-CB 4.44Å; M393-V550 HydrophobicContact CE-CB 3.79Å; M393-V550 HydrophobicContact CE-CG1 3.47Å; M393-V550 VanDerWaalsContact CE-CG1 3.47Å; M393-V550 HydrophobicContact CE-CG2 4.4Å; M393-V550 HydrophobicContact SD-CG1 4.34Å
394K98.1Very high97.5Very high0 Ų018.8 Ų18.80%010%0.096CC..Hα-helixtrans-62.3-43.9175.5-179.4-97.7169.6-161.80112.4R297 L300 L301 S390 T391 S398 S433 Y436 G438 N440 L443R297-K394 HydrophobicContact CG-CB 3.52Å; R297-K394 HydrophobicContact CG-CG 3.8Å; L300-K394 HydrophobicContact CD1-CG 4.49Å; L301-K394 HydrophobicContact CD2-CB 4.07Å; L301-K394 HydrophobicContact CD2-CG 4.29Å; S390-K394 VanDerWaalsContact O-CB 3.26Å; S390-K394 WeakPolarHBondContact O-CB 3.37Å; S390-K394 PolarHBondContact O-N 3.19Å; T391-K394 PolarHBondContact O-N 3.42Å; K394-S398 VanDerWaalsContact O-CB 3.3Å; K394-S398 WeakPolarHBondContact O-CB 3.45Å; K394-S398 PolarHBondContact O-N 3.38Å; K394-S398 PolarHBondContact O-OG 2.81Å; K394-S433 WeakPolarHBondContact CE-O 3.31Å; K394-S433 PolarHBondContact NZ-O 2.87Å; K394-Y436 WeakPolarHBondContact CE-O 3.24Å; K394-Y436 PolarHBondContact NZ-O 3.36Å; K394-G438 PolarHBondContact NZ-O 3.48Å; K394-N440 PolarHBondContact NZ-OD1 3.4Å; K394-L443 HydrophobicContact CD-CD1 3.28Å; K394-L443 HydrophobicContact CG-CD1 4.47Å
395A98.5Very high97.8Very high0 Ų015.2 Ų15.20%07%0.073CC..Hα-helixtrans-62.8-49.4179.700000111.2T391 G392 M393 S398 E399 N440 L443 Y444T391-A395 WeakPolarHBondContact O-CB 3.08Å; T391-A395 PolarHBondContact O-N 3.12Å; G392-A395 PolarHBondContact O-N 3.41Å; M393-A395 PolarHBondContact O-N 2.92Å; A395-S398 PolarHBondContact O-OG 2.88Å; A395-S398 VanDerWaalsContact O-OG 3.07Å; A395-E399 WeakPolarHBondContact O-CB 3.4Å; A395-E399 PolarHBondContact O-N 2.75Å; A395-E399 VanDerWaalsContact O-N 3.13Å; A395-N440 WeakPolarHBondContact CA-OD1 3.33Å; A395-N440 HydrophobicContact CB-CB 4.09Å; A395-N440 PolarHBondContact O-ND2 3.15Å; A395-N440 VanDerWaalsContact O-ND2 3.11Å; A395-L443 HydrophobicContact CB-CB 4.06Å; A395-L443 HydrophobicContact CB-CD1 4.48Å; A395-Y444 HydrophobicContact CB-CD1 4.18Å; A395-Y444 HydrophobicContact CB-CD2 3.96Å; A395-Y444 HydrophobicContact CB-CE1 3.88Å; A395-Y444 HydrophobicContact CB-CE2 3.66Å; A395-Y444 HydrophobicContact CB-CG 4.21Å
396M98.3Very high97.9Very high3 Ų316.8 Ų16.82%0.0158%0.08CC..Hα-helixtrans-65.6-49.6179.1-179.9169.1-85.400112.3F357 G392 M393 S398 E399 F400 Y444 C547 Y548F357-M396 HydrophobicContact CE1-CG 4.19Å; F357-M396 HydrophobicContact CE1-SD 4.44Å; F357-M396 HydrophobicContact CZ-CG 3.96Å; G392-M396 WeakPolarHBondContact O-CB 3.49Å; G392-M396 PolarHBondContact O-N 2.97Å; M393-M396 PolarHBondContact O-N 3.42Å; M396-S398 PolarHBondContact O-N 3.47Å; M396-E399 PolarHBondContact O-N 3.46Å; M396-F400 HydrophobicContact CE-CE2 4.39Å; M396-F400 HydrophobicContact CG-CD2 3.83Å; M396-F400 HydrophobicContact CG-CE2 3.92Å; M396-F400 WeakPolarHBondContact O-CB 3.2Å; M396-F400 WeakPolarHBondContact O-CD2 3.34Å; M396-F400 PolarHBondContact O-N 3.45Å; M396-Y444 WeakPolarHBondContact CA-OH 3.47Å; M396-Y444 WeakPolarHBondContact CB-OH 3.18Å; M396-Y444 PolarHBondContact N-OH 3.41Å; M396-C547 HydrophobicContact CB-CB 4.43Å; M396-C547 HydrophobicContact CE-CB 3.38Å; M396-C547 HydrophobicContact SD-CB 3.68Å; M396-Y548 HydrophobicContact CE-CD1 4.29Å; M396-Y548 HydrophobicContact CE-CD2 3.59Å; M396-Y548 HydrophobicContact CE-CE2 4Å; M396-Y548 HydrophobicContact CE-CG 3.79Å
397M98.6Very high98.1Very high0 Ų019 Ų190%09%0.091CC..Hα-helixtrans-62.9-43.7-177.3-69.6-178.760.500111.9L301 V305 L306 F357 A361 M393 C401L301-M397 HydrophobicContact CB-CE 3.83Å; L301-M397 HydrophobicContact CB-SD 4.12Å; L301-M397 HydrophobicContact CD1-SD 3.88Å; L301-M397 HydrophobicContact CD2-CB 4.21Å; L301-M397 HydrophobicContact CD2-CE 4.31Å; L301-M397 HydrophobicContact CD2-SD 4Å; L301-M397 HydrophobicContact CG-CE 4.46Å; L301-M397 HydrophobicContact CG-SD 4.19Å; V305-M397 HydrophobicContact CG1-CB 4.36Å; L306-M397 HydrophobicContact CB-CE 4.11Å; F357-M397 HydrophobicContact CB-CE 3.77Å; F357-M397 HydrophobicContact CB-CG 4.39Å; F357-M397 HydrophobicContact CB-SD 4.34Å; F357-M397 HydrophobicContact CD1-CG 3.77Å; F357-M397 HydrophobicContact CD1-SD 4.47Å; F357-M397 HydrophobicContact CD2-CB 4.24Å; F357-M397 HydrophobicContact CD2-CE 4.33Å; F357-M397 HydrophobicContact CD2-CG 3.81Å; F357-M397 HydrophobicContact CE1-CG 3.88Å; F357-M397 HydrophobicContact CE2-CB 4.14Å; F357-M397 HydrophobicContact CE2-CG 3.91Å; F357-M397 HydrophobicContact CG-CE 4.11Å; F357-M397 HydrophobicContact CG-CG 3.74Å; F357-M397 HydrophobicContact CG-SD 4.3Å; F357-M397 HydrophobicContact CZ-CB 4.44Å; F357-M397 HydrophobicContact CZ-CG 3.94Å; A361-M397 HydrophobicContact CB-CE 4.13Å; A361-M397 HydrophobicContact CB-SD 4.32Å; M393-M397 HydrophobicContact CB-SD 4.46Å; M393-M397 WeakPolarHBondContact O-CB 3.33Å; M393-M397 WeakPolarHBondContact O-CG 3.16Å; M393-M397 PolarHBondContact O-N 3.19Å; M397-C401 WeakPolarHBondContact O-CB 3.33Å; M397-C401 PolarHBondContact O-N 3.44Å; M397-C401 PolarHBondContact O-SG 3.26Å
398S98.6Very high98.2Very high0 Ų016.1 Ų16.10%08%0.078CC..Hα-helixtrans-64.2-43.8177.757.70000112.5K394 A395 M396 T402 S433 N440K394-S398 VanDerWaalsContact O-CB 3.3Å; K394-S398 WeakPolarHBondContact O-CB 3.45Å; K394-S398 PolarHBondContact O-N 3.38Å; K394-S398 PolarHBondContact O-OG 2.81Å; A395-S398 PolarHBondContact O-OG 2.88Å; A395-S398 VanDerWaalsContact O-OG 3.07Å; M396-S398 PolarHBondContact O-N 3.47Å; S398-T402 WeakPolarHBondContact O-CB 3.38Å; S398-T402 PolarHBondContact O-N 2.92Å; S398-T402 PolarHBondContact O-OG1 3.04Å; S398-S433 VanDerWaalsContact CB-OG 3.25Å; S398-S433 WeakPolarHBondContact CB-OG 3.24Å; S398-N440 PolarHBondContact OG-ND2 3.05Å; S398-N440 PolarHBondContact OG-OD1 2.85Å
399E98.4Very high98.3Very high48 Ų4818 Ų1822%0.2249%0.085CC..Hα-helixtrans-61.8-52.3178.3179.1168.1-12900111.1A395 M396 T402 Q403 K544A395-E399 WeakPolarHBondContact O-CB 3.4Å; A395-E399 PolarHBondContact O-N 2.75Å; A395-E399 VanDerWaalsContact O-N 3.13Å; M396-E399 PolarHBondContact O-N 3.46Å; E399-T402 PolarHBondContact O-N 3.25Å; E399-Q403 WeakPolarHBondContact O-CG 3.48Å; E399-Q403 PolarHBondContact O-N 3.46Å; E399-K544 IonicContact OE1-NZ 2.67Å; E399-K544 PolarHBondContact OE1-NZ 3.31Å; E399-K544 IonicContact OE2-NZ 2.86Å; E399-K544 PolarHBondContact OE2-NZ 3.39Å
400F98.6Very high98.4Very high31 Ų3122.9 Ų22.914%0.13610%0.102CC..Hα-helixtrans-71.5-37.1-176.4-78.8-110.8000112.4I353 F357 M396 T402 Q403 G404 Y548I353-F400 HydrophobicContact CD1-CB 3.75Å; I353-F400 HydrophobicContact CD1-CD1 3.21Å; I353-F400 HydrophobicContact CD1-CE1 4.05Å; I353-F400 HydrophobicContact CD1-CG 3.74Å; F357-F400 HydrophobicContact CE2-CB 3.78Å; F357-F400 HydrophobicContact CZ-CB 3.9Å; F357-F400 HydrophobicContact CZ-CG 4.27Å; M396-F400 HydrophobicContact CE-CE2 4.39Å; M396-F400 HydrophobicContact CG-CD2 3.83Å; M396-F400 HydrophobicContact CG-CE2 3.92Å; M396-F400 WeakPolarHBondContact O-CB 3.2Å; M396-F400 WeakPolarHBondContact O-CD2 3.34Å; M396-F400 PolarHBondContact O-N 3.45Å; F400-T402 VanDerWaalsContact C-N 3.33Å; F400-T402 PolarHBondContact O-N 2.9Å; F400-Q403 PolarHBondContact O-N 3.27Å; F400-G404 PolarHBondContact O-N 3.24Å; F400-Y548 HydrophobicContact CE1-CE1 4.06Å; F400-Y548 AromaticContact CE1-CZ 3.82Å; F400-Y548 WeakPolarHBondContact CE1-OH 3.5Å; F400-Y548 HydrophobicContact CZ-CE1 4.01Å; F400-Y548 AromaticContact CZ-CE2 3.99Å; F400-Y548 HydrophobicContact CZ-CE2 3.99Å; F400-Y548 AromaticContact CZ-CZ 3.41Å; F400-Y548 VanDerWaalsContact CZ-CZ 3.41Å; F400-Y548 WeakPolarHBondContact CZ-OH 3.41Å
401C98.8Very high98.5Very high0 Ų023.3 Ų23.30%011%0.105CC..Hα-helixtrans-63.3-41.3174-69.70000111.2V305 L309 M397 G404 A405 L430V305-C401 HydrophobicContact CG1-CB 3.92Å; L309-C401 HydrophobicContact CB-CB 3.91Å; L309-C401 HydrophobicContact CD2-CB 4.36Å; M397-C401 WeakPolarHBondContact O-CB 3.33Å; M397-C401 PolarHBondContact O-N 3.44Å; M397-C401 PolarHBondContact O-SG 3.26Å; C401-G404 PolarHBondContact O-N 3Å; C401-A405 VanDerWaalsContact O-CB 3.29Å; C401-A405 WeakPolarHBondContact O-CB 3.13Å; C401-A405 PolarHBondContact O-N 3.27Å; C401-L430 HydrophobicContact CB-CD1 4.1Å; C401-L430 HydrophobicContact CB-CD2 3.69Å; C401-L430 WeakPolarHBondContact O-CD1 3.38Å
402T98.8Very high98.6Very high22 Ų2223.5 Ų23.514%0.13511%0.106CC..Hα-helixtrans-62.4-49.3177.1-58.40000111.2S398 E399 F400 G404 A405 E406 L430 C434S398-T402 WeakPolarHBondContact O-CB 3.38Å; S398-T402 PolarHBondContact O-N 2.92Å; S398-T402 PolarHBondContact O-OG1 3.04Å; E399-T402 PolarHBondContact O-N 3.25Å; F400-T402 VanDerWaalsContact C-N 3.33Å; F400-T402 PolarHBondContact O-N 2.9Å; T402-G404 VanDerWaalsContact C-N 3.34Å; T402-G404 PolarHBondContact O-N 3.21Å; T402-A405 PolarHBondContact O-N 3.48Å; T402-E406 PolarHBondContact O-N 3.39Å; T402-L430 PolarHBondContact OG1-O 3Å; T402-C434 PolarHBondContact OG1-SG 3.39Å
403Q98.6Very high98.6Very high108 Ų10825.6 Ų25.651%0.50513%0.128SC..Hα-helixtrans-62.8-41.2177.7-68.1175.817.600112.1E399 F400 E406 M407E399-Q403 WeakPolarHBondContact O-CG 3.48Å; E399-Q403 PolarHBondContact O-N 3.46Å; F400-Q403 PolarHBondContact O-N 3.27Å; Q403-E406 PolarHBondContact O-N 3.28Å; Q403-M407 WeakPolarHBondContact O-CB 3.38Å; Q403-M407 PolarHBondContact O-N 2.87Å
404G98.8Very high98.6Very high0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-67.2-41.6178.900000113.2F400 C401 T402 M407 C408F400-G404 PolarHBondContact O-N 3.24Å; C401-G404 PolarHBondContact O-N 3Å; T402-G404 VanDerWaalsContact C-N 3.34Å; T402-G404 PolarHBondContact O-N 3.21Å; G404-M407 WeakPolarHBondContact O-CB 3.47Å; G404-M407 PolarHBondContact O-N 2.9Å; G404-C408 PolarHBondContact O-N 3.01Å; G404-C408 PolarHBondContact O-SG 3.17Å
405A98.8Very high98.7Very high0 Ų031.8 Ų31.80%018%0.175CC..Hα-helixtrans-63.7-41.2174.500000111.5A312 C401 T402 M407 C408 R409 V427 L430A312-A405 HydrophobicContact CB-CB 4.03Å; C401-A405 VanDerWaalsContact O-CB 3.29Å; C401-A405 WeakPolarHBondContact O-CB 3.13Å; C401-A405 PolarHBondContact O-N 3.27Å; T402-A405 PolarHBondContact O-N 3.48Å; A405-M407 VanDerWaalsContact C-N 3.34Å; A405-C408 WeakPolarHBondContact O-CB 3.44Å; A405-C408 PolarHBondContact O-N 3.23Å; A405-R409 PolarHBondContact O-N 3.35Å; A405-V427 HydrophobicContact CB-CG2 3.94Å; A405-L430 HydrophobicContact CB-CD1 3.58Å
406E98.8Very high98.7Very high51 Ų5131.8 Ų31.824%0.23818%0.175CC..Hα-helixtrans-67.1-35.6174.8176.155.2-158.800111.9T402 Q403 R409 R410 V427T402-E406 PolarHBondContact O-N 3.39Å; Q403-E406 PolarHBondContact O-N 3.28Å; E406-R409 WeakPolarHBondContact O-CB 3.27Å; E406-R409 PolarHBondContact O-N 3.34Å; E406-R409 IonicContact OE1-CZ 3.69Å; E406-R409 IonicContact OE1-NE 3.64Å; E406-R409 PolarHBondContact OE1-NE 3.48Å; E406-R409 IonicContact OE1-NH2 3.97Å; E406-R409 PolarHBondContact OE1-NH2 3.28Å; E406-R409 WeakPolarHBondContact OE2-CD 3.48Å; E406-R409 IonicContact OE2-CZ 3.94Å; E406-R409 IonicContact OE2-NE 2.79Å; E406-R409 PolarHBondContact OE2-NE 3.03Å; E406-R409 IonicContact OE2-NH2 2.66Å; E406-R410 WeakPolarHBondContact O-CG 3.34Å; E406-R410 PolarHBondContact O-N 2.79Å; E406-R410 WeakPolarHBondContact OE1-CG 3.31Å; E406-R410 IonicContact OE1-NE 2.81Å; E406-V427 HydrophobicContact CB-CG1 4.39Å; E406-V427 HydrophobicContact CB-CG2 4.34Å
407M98.8Very high98.7Very high47 Ų4740.3 Ų40.323%0.23221%0.208CC..Hα-helixtrans-62.2-45171.5-167.364.177.900111.4K346 Q350 Q403 G404 A405 R409 R410 A411K346-M407 HydrophobicContact CB-CG 3.96Å; K346-M407 HydrophobicContact CB-SD 4.17Å; K346-M407 HydrophobicContact CD-SD 4.29Å; K346-M407 HydrophobicContact CG-CG 4.28Å; K346-M407 HydrophobicContact CG-SD 3.81Å; K346-M407 WeakPolarHBondContact O-CG 3.34Å; Q350-M407 HydrophobicContact CG-CB 4.42Å; Q403-M407 WeakPolarHBondContact O-CB 3.38Å; Q403-M407 PolarHBondContact O-N 2.87Å; G404-M407 WeakPolarHBondContact O-CB 3.47Å; G404-M407 PolarHBondContact O-N 2.9Å; A405-M407 VanDerWaalsContact C-N 3.34Å; M407-R409 VanDerWaalsContact C-N 3.34Å; M407-R409 PolarHBondContact O-N 3.19Å; M407-R410 PolarHBondContact O-N 3.39Å; M407-A411 VanDerWaalsContact O-CB 3.31Å; M407-A411 WeakPolarHBondContact O-CB 3.4Å; M407-A411 PolarHBondContact O-N 3.45Å
408C98.9Very high98.7Very high0 Ų042.3 Ų42.30%022%0.222CC..Hα-helixtrans-60.7-41.1174.8-680000111.9A312 A316 G404 A405 A411 C412 L423A312-C408 HydrophobicContact CB-CB 3.91Å; A316-C408 HydrophobicContact CB-CB 3.69Å; G404-C408 PolarHBondContact O-N 3.01Å; G404-C408 PolarHBondContact O-SG 3.17Å; A405-C408 WeakPolarHBondContact O-CB 3.44Å; A405-C408 PolarHBondContact O-N 3.23Å; C408-A411 WeakPolarHBondContact O-CB 3.18Å; C408-A411 PolarHBondContact O-N 3.18Å; C408-C412 PolarHBondContact O-N 2.94Å; C408-C412 PolarHBondContact O-SG 2.81Å; C408-L423 HydrophobicContact CB-CD2 4.28Å
409R98.9Very high98.6Very high40 Ų4047.9 Ų47.915%0.15125%0.247CC..Hα-helixtrans-59-50.9174.5-166.3-160.564.273.7-2.6111.6A405 E406 M407 A411 C412 G416 L423 V427A405-R409 PolarHBondContact O-N 3.35Å; E406-R409 WeakPolarHBondContact O-CB 3.27Å; E406-R409 PolarHBondContact O-N 3.34Å; E406-R409 IonicContact OE1-CZ 3.69Å; E406-R409 IonicContact OE1-NE 3.64Å; E406-R409 PolarHBondContact OE1-NE 3.48Å; E406-R409 IonicContact OE1-NH2 3.97Å; E406-R409 PolarHBondContact OE1-NH2 3.28Å; E406-R409 WeakPolarHBondContact OE2-CD 3.48Å; E406-R409 IonicContact OE2-CZ 3.94Å; E406-R409 IonicContact OE2-NE 2.79Å; E406-R409 PolarHBondContact OE2-NE 3.03Å; E406-R409 IonicContact OE2-NH2 2.66Å; M407-R409 VanDerWaalsContact C-N 3.34Å; M407-R409 PolarHBondContact O-N 3.19Å; R409-A411 VanDerWaalsContact C-N 3.3Å; R409-A411 PolarHBondContact O-N 2.76Å; R409-C412 PolarHBondContact O-N 3.26Å; R409-C412 VanDerWaalsContact O-N 3.17Å; R409-G416 WeakPolarHBondContact CG-O 3.39Å; R409-L423 HydrophobicContact CB-CB 4.07Å; R409-L423 HydrophobicContact CG-CB 3.87Å; R409-V427 HydrophobicContact CB-CG2 4.33Å
410R98.8Very high98.5Very high128 Ų12846.3 Ų46.348%0.48324%0.24SC..Hα-helixtrans-65.6-32.5178.3-69.2-174.1-61.5176-0.5112.7E406 M407 C412 G413E406-R410 WeakPolarHBondContact O-CG 3.34Å; E406-R410 PolarHBondContact O-N 2.79Å; E406-R410 WeakPolarHBondContact OE1-CG 3.31Å; E406-R410 IonicContact OE1-NE 2.81Å; M407-R410 PolarHBondContact O-N 3.39Å; R410-C412 PolarHBondContact O-N 2.88Å; R410-G413 PolarHBondContact O-N 2.88Å; R410-G413 VanDerWaalsContact O-N 3.13Å
411A98.8Very high98.5Very high9 Ų944.9 Ų44.97%0.07423%0.233CC..Hα-helixtrans-63.9-21175.700000112.9Q343 L347 M407 C408 R409Q343-A411 PolarHBondContact NE2-O 3.5Å; L347-A411 HydrophobicContact CD2-CB 3.71Å; L347-A411 HydrophobicContact CG-CB 4.26Å; M407-A411 VanDerWaalsContact O-CB 3.31Å; M407-A411 WeakPolarHBondContact O-CB 3.4Å; M407-A411 PolarHBondContact O-N 3.45Å; C408-A411 WeakPolarHBondContact O-CB 3.18Å; C408-A411 PolarHBondContact O-N 3.18Å; R409-A411 VanDerWaalsContact C-N 3.3Å; R409-A411 PolarHBondContact O-N 2.76Å
412C98.8Very high98.5Very high3 Ų344.9 Ų44.92%0.0223%0.234CC..THydrogen-bonded Turntrans-90.97175.9-60.10000114.1A316 Y319 C408 R409 R410 G416 L423 L638A316-C412 VanDerWaalsContact CA-SG 3.58Å; Y319-C412 HydrophobicContact CD1-CB 3.77Å; Y319-C412 HydrophobicContact CE1-CB 4.04Å; C408-C412 PolarHBondContact O-N 2.94Å; C408-C412 PolarHBondContact O-SG 2.81Å; R409-C412 PolarHBondContact O-N 3.26Å; R409-C412 VanDerWaalsContact O-N 3.17Å; R410-C412 PolarHBondContact O-N 2.88Å; C412-G416 PolarHBondContact O-N 3.31Å; C412-L423 HydrophobicContact CB-CD1 3.99Å; C412-L423 WeakPolarHBondContact SG-CD1 3.34Å; C412-L638 HydrophobicContact CB-CD1 4.12Å
413G98.4Very high98.5Very high44 Ų4443.9 Ų43.945%0.45423%0.227SC..G310 helixtrans57.9-144.7178.200000113.2R410 H415 G416R410-G413 PolarHBondContact O-N 2.88Å; R410-G413 VanDerWaalsContact O-N 3.13Å; G413-H415 VanDerWaalsContact C-N 3.3Å; G413-H415 PolarHBondContact O-N 2.81Å; G413-G416 PolarHBondContact O-N 2.95Å; G413-G416 VanDerWaalsContact O-N 3.13Å
414G98.4Very high98.4Very high68 Ų6839.9 Ų39.970%0.70121%0.211SC*.G310 helixtrans-59.7-36.9-179.300000113.7G416 Y417G414-G416 VanDerWaalsContact C-N 3.28Å; G414-G416 PolarHBondContact O-N 3.36Å; G414-Y417 WeakPolarHBondContact O-CB 3.26Å; G414-Y417 PolarHBondContact O-N 3.05Å; G414-Y417 VanDerWaalsContact O-N 3.07Å
415H98.7Very high98.3Very high66 Ų6641.6 Ų41.631%0.30622%0.223SC..G310 helixtrans-66.9-30178-64.4-28000112.5Y319 G413 Y417 S418 S421 L638 L649Y319-H415 PolarHBondContact OH-CD2 3.3Å; G413-H415 VanDerWaalsContact C-N 3.3Å; G413-H415 PolarHBondContact O-N 2.81Å; H415-Y417 PolarHBondContact O-N 3.08Å; H415-S418 WeakPolarHBondContact O-CB 3.37Å; H415-S418 PolarHBondContact O-N 2.94Å; H415-S418 VanDerWaalsContact O-N 3.15Å; H415-S421 WeakPolarHBondContact O-CB 3.4Å; H415-L638 HydrophobicContact CB-CD1 3.93Å; H415-L638 HydrophobicContact CB-CD2 4.14Å; H415-L649 HydrophobicContact CB-CD2 4.41Å
416G98.6Very high98.3Very high0 Ų042.4 Ų42.40%023%0.227CC..G310 helixtrans-64.5-18.2172.200000114.5R409 C412 G413 G414 S421R409-G416 WeakPolarHBondContact CG-O 3.39Å; C412-G416 PolarHBondContact O-N 3.31Å; G413-G416 PolarHBondContact O-N 2.95Å; G413-G416 VanDerWaalsContact O-N 3.13Å; G414-G416 VanDerWaalsContact C-N 3.28Å; G414-G416 PolarHBondContact O-N 3.36Å; G416-S421 PolarHBondContact O-OG 3.18Å
417Y98.6Very high98.3Very high181 Ų18140.8 Ų40.871%0.7122%0.221SC*.G310 helixtrans-80.8-21.4174.9-165.9-110000112.8G414 H415 P424G414-Y417 WeakPolarHBondContact O-CB 3.26Å; G414-Y417 PolarHBondContact O-N 3.05Å; G414-Y417 VanDerWaalsContact O-N 3.07Å; H415-Y417 PolarHBondContact O-N 3.08Å; Y417-P424 WeakPolarHBondContact O-CG 3.47Å
418S98.1Very high98.2Very high43 Ų4340.1 Ų40.130%0.30122%0.219SC..SBendtrans-70.2139.2177.8177.90000111.5H415 L420 S421 P424H415-S418 WeakPolarHBondContact O-CB 3.37Å; H415-S418 PolarHBondContact O-N 2.94Å; H415-S418 VanDerWaalsContact O-N 3.15Å; S418-L420 PolarHBondContact O-N 2.99Å; S418-L420 PolarHBondContact OG-N 2.99Å; S418-L420 VanDerWaalsContact OG-N 3.17Å; S418-S421 WeakPolarHBondContact O-CB 3.4Å; S418-S421 PolarHBondContact O-N 3.35Å; S418-S421 PolarHBondContact O-OG 2.94Å; S418-P424 WeakPolarHBondContact O-CD 3.35Å
419K97.1Very high98.1Very high117 Ų11741.3 Ų41.351%0.50922%0.224SC..G310 helixtrans-58.2-27.1170.2-75.4-166.9176.6-174.50112.4Y69 S421 G422Y69-K419 HydrophobicContact CD1-CB 3.93Å; Y69-K419 HydrophobicContact CD1-CD 4.42Å; Y69-K419 WeakPolarHBondContact CE1-O 3.21Å; Y69-K419 VanDerWaalsContact CE2-O 3.27Å; Y69-K419 WeakPolarHBondContact CE2-O 3.35Å; Y69-K419 HydrophobicContact CG-CB 4.09Å; Y69-K419 VanDerWaalsContact CZ-O 3.25Å; K419-S421 PolarHBondContact O-N 3.42Å; K419-G422 WeakPolarHBondContact O-CA 3.35Å; K419-G422 PolarHBondContact O-N 3.02Å
420L97.6Very high98Very high15 Ų1539.6 Ų39.68%0.07922%0.218CC..G310 helixtrans-68.1-16.9177.4-54.3-177.9000113.3Y69 F70 S418 A637 L649 W652 A653Y69-L420 HydrophobicContact CD2-CD2 4.11Å; F70-L420 HydrophobicContact CE1-CD2 4.25Å; F70-L420 HydrophobicContact CE2-CD2 4.42Å; F70-L420 HydrophobicContact CZ-CD2 3.71Å; S418-L420 PolarHBondContact O-N 2.99Å; S418-L420 PolarHBondContact OG-N 2.99Å; S418-L420 VanDerWaalsContact OG-N 3.17Å; L420-A637 PolarHBondContact O-N 3.25Å; L420-L649 HydrophobicContact CB-CD1 3.85Å; L420-L649 HydrophobicContact CD1-CD1 4.15Å; L420-W652 HydrophobicContact CB-CE3 4.22Å; L420-W652 HydrophobicContact CD1-CB 3.94Å; L420-W652 HydrophobicContact CD2-CB 4.35Å; L420-W652 HydrophobicContact CD2-CE3 4.14Å; L420-A653 HydrophobicContact CD1-CB 4.16Å
421S98.2Very high98Very high0 Ų035 Ų350%021%0.205CC..G310 helixtrans-74.4-15.9168.672.90000113.3H415 G416 S418 K419 L423 P424 S636 L638H415-S421 WeakPolarHBondContact O-CB 3.4Å; G416-S421 PolarHBondContact O-OG 3.18Å; S418-S421 WeakPolarHBondContact O-CB 3.4Å; S418-S421 PolarHBondContact O-N 3.35Å; S418-S421 PolarHBondContact O-OG 2.94Å; K419-S421 PolarHBondContact O-N 3.42Å; S421-L423 PolarHBondContact O-N 2.93Å; S421-L423 PolarHBondContact OG-N 2.96Å; S421-P424 VanDerWaalsContact OG-CD 3.28Å; S421-P424 WeakPolarHBondContact OG-CD 3.27Å; S421-S636 VanDerWaalsContact O-CB 3.25Å; S421-S636 WeakPolarHBondContact O-CB 3.31Å; S421-S636 PolarHBondContact O-OG 3.11Å; S421-L638 VanDerWaalsContact CB-CD1 3.46Å
422G97.6Very high97.9Very high1 Ų135.9 Ų35.91%0.0121%0.213CC..SBendtrans71.4-21.7-172.100000115.3Y69 K419 S425 L426Y69-G422 VanDerWaalsContact OH-CA 3.29Å; Y69-G422 WeakPolarHBondContact OH-CA 3.17Å; K419-G422 WeakPolarHBondContact O-CA 3.35Å; K419-G422 PolarHBondContact O-N 3.02Å; G422-S425 PolarHBondContact O-N 2.9Å; G422-L426 WeakPolarHBondContact O-CG 3.19Å; G422-L426 PolarHBondContact O-N 3.4Å
423L98.6Very high97.8Very high0 Ų035.8 Ų35.80%021%0.213CC..Hα-helixtrans-59.9-42.4-175.4-67.8161.3000113.8A312 I315 C408 R409 C412 S421 S425 L426 V427A312-L423 HydrophobicContact CB-CD2 3.82Å; I315-L423 HydrophobicContact CB-CD2 4.16Å; I315-L423 HydrophobicContact CB-CG 4.43Å; I315-L423 HydrophobicContact CD1-CD2 4.23Å; I315-L423 HydrophobicContact CD1-CG 4.42Å; I315-L423 HydrophobicContact CG2-CD1 3.83Å; I315-L423 HydrophobicContact CG2-CD2 4.17Å; I315-L423 HydrophobicContact CG2-CG 3.92Å; C408-L423 HydrophobicContact CB-CD2 4.28Å; R409-L423 HydrophobicContact CB-CB 4.07Å; R409-L423 HydrophobicContact CG-CB 3.87Å; C412-L423 HydrophobicContact CB-CD1 3.99Å; C412-L423 WeakPolarHBondContact SG-CD1 3.34Å; S421-L423 PolarHBondContact O-N 2.93Å; S421-L423 PolarHBondContact OG-N 2.96Å; L423-S425 VanDerWaalsContact C-N 3.31Å; L423-S425 PolarHBondContact O-N 3.22Å; L423-L426 HydrophobicContact CD2-CD1 4.45Å; L423-L426 PolarHBondContact O-N 3.41Å; L423-L426 VanDerWaalsContact O-N 3.11Å; L423-V427 WeakPolarHBondContact O-CG2 3.39Å; L423-V427 PolarHBondContact O-N 2.75Å
424P98.4Very high97.8Very high25 Ų2535 Ų3516%0.16220%0.2CC..Hα-helixtrans-55.8-44.1177-27.835.9000113Y417 S418 S421 L426 V427 T428Y417-P424 WeakPolarHBondContact O-CG 3.47Å; S418-P424 WeakPolarHBondContact O-CD 3.35Å; S421-P424 VanDerWaalsContact OG-CD 3.28Å; S421-P424 WeakPolarHBondContact OG-CD 3.27Å; P424-L426 VanDerWaalsContact C-N 3.34Å; P424-L426 PolarHBondContact O-N 3.41Å; P424-V427 PolarHBondContact O-N 3.48Å; P424-T428 WeakPolarHBondContact O-CG2 3.43Å; P424-T428 PolarHBondContact O-N 2.93Å; P424-T428 PolarHBondContact O-OG1 3.47Å
425S96.5Very high97.7Very high36 Ų3636.4 Ų36.425%0.25220%0.195SC..Hα-helixtrans-65.8-34.5177.9-62.30000112.8D246 G422 L423 T428 K429D246-S425 VanDerWaalsContact OD2-O 3.12Å; G422-S425 PolarHBondContact O-N 2.9Å; L423-S425 VanDerWaalsContact C-N 3.31Å; L423-S425 PolarHBondContact O-N 3.22Å; S425-T428 WeakPolarHBondContact CA-OG1 3.47Å; S425-T428 PolarHBondContact O-OG1 2.83Å; S425-K429 WeakPolarHBondContact O-CB 3.41Å; S425-K429 PolarHBondContact O-N 3.49Å
426L98.1Very high97.6Very high17 Ų1736.9 Ų36.99%0.08919%0.194CC..Hα-helixtrans-67.1-41.1175.3-59.2178.7000111.1T308 K311 A312 I315 G422 L423 P424 L430T308-L426 HydrophobicContact CG2-CB 3.63Å; T308-L426 HydrophobicContact CG2-CD2 3.76Å; T308-L426 HydrophobicContact CG2-CG 4.2Å; T308-L426 WeakPolarHBondContact CG2-O 3.35Å; K311-L426 HydrophobicContact CB-CD1 3.85Å; K311-L426 HydrophobicContact CB-CD2 4.49Å; K311-L426 HydrophobicContact CD-CD2 4.42Å; A312-L426 HydrophobicContact CB-CD1 4.11Å; I315-L426 HydrophobicContact CD1-CD1 3.79Å; G422-L426 WeakPolarHBondContact O-CG 3.19Å; G422-L426 PolarHBondContact O-N 3.4Å; L423-L426 HydrophobicContact CD2-CD1 4.45Å; L423-L426 PolarHBondContact O-N 3.41Å; L423-L426 VanDerWaalsContact O-N 3.11Å; P424-L426 VanDerWaalsContact C-N 3.34Å; P424-L426 PolarHBondContact O-N 3.41Å; L426-L430 WeakPolarHBondContact O-CB 3.46Å; L426-L430 PolarHBondContact O-N 3.35Å; L426-L430 VanDerWaalsContact O-N 3.08Å
427V98.6Very high97.3Very high17 Ų1738.7 Ų38.710%0.10320%0.203CC..Hα-helixtrans-65.1-49177.6173.90000111.4A405 E406 R409 L423 P424 K429 L430 S431A405-V427 HydrophobicContact CB-CG2 3.94Å; E406-V427 HydrophobicContact CB-CG1 4.39Å; E406-V427 HydrophobicContact CB-CG2 4.34Å; R409-V427 HydrophobicContact CB-CG2 4.33Å; L423-V427 WeakPolarHBondContact O-CG2 3.39Å; L423-V427 PolarHBondContact O-N 2.75Å; P424-V427 PolarHBondContact O-N 3.48Å; V427-K429 VanDerWaalsContact C-N 3.35Å; V427-K429 PolarHBondContact O-N 3Å; V427-L430 PolarHBondContact O-N 2.83Å; V427-S431 PolarHBondContact O-N 3.31Å; V427-S431 PolarHBondContact O-OG 3.27Å
428T97.3Very high97.2Very high32 Ų3231 Ų3120%0.19618%0.179CC..Hα-helixtrans-64.5-39.5-179.350.60000111.7M245 D246 P424 S425 S431M245-T428 HydrophobicContact CE-CG2 3.83Å; M245-T428 HydrophobicContact CG-CG2 4.09Å; D246-T428 WeakPolarHBondContact OD2-CB 3.43Å; D246-T428 PolarHBondContact OD2-OG1 3.37Å; P424-T428 WeakPolarHBondContact O-CG2 3.43Å; P424-T428 PolarHBondContact O-N 2.93Å; P424-T428 PolarHBondContact O-OG1 3.47Å; S425-T428 WeakPolarHBondContact CA-OG1 3.47Å; S425-T428 PolarHBondContact O-OG1 2.83Å; T428-S431 PolarHBondContact O-N 3.24Å
429K95.8Very high97.1Very high26 Ų2632 Ų3211%0.11318%0.179CC..Hα-helixtrans-60.8-48.5173.8-171.1-178.2-176-170.50112.2S111 D246 F247 E304 S425 V427 S431 A432S111-K429 PolarHBondContact O-NZ 3.38Å; S111-K429 VanDerWaalsContact O-NZ 3.13Å; D246-K429 PolarHBondContact OD2-N 3.48Å; F247-K429 HydrophobicContact CE1-CG 4.15Å; F247-K429 HydrophobicContact CE2-CG 4.29Å; F247-K429 HydrophobicContact CZ-CG 3.66Å; E304-K429 WeakPolarHBondContact OE2-CE 3.41Å; E304-K429 IonicContact OE2-NZ 3.77Å; E304-K429 PolarHBondContact OE2-NZ 2.99Å; S425-K429 WeakPolarHBondContact O-CB 3.41Å; S425-K429 PolarHBondContact O-N 3.49Å; V427-K429 VanDerWaalsContact C-N 3.35Å; V427-K429 PolarHBondContact O-N 3Å; K429-S431 VanDerWaalsContact C-N 3.34Å; K429-S431 PolarHBondContact O-N 2.97Å; K429-A432 PolarHBondContact O-N 3.28Å
430L97.6Very high97.2Very high3 Ų327 Ų272%0.01616%0.157CC..Hα-helixtrans-64.3-37.4179.7-84.7166.6000112.9V305 T308 C401 T402 A405 L426 V427 A432 S433V305-L430 HydrophobicContact CB-CD2 4.34Å; V305-L430 HydrophobicContact CG1-CD2 3.89Å; T308-L430 HydrophobicContact CG2-CD1 3.53Å; T308-L430 HydrophobicContact CG2-CD2 4.34Å; T308-L430 HydrophobicContact CG2-CG 3.54Å; C401-L430 HydrophobicContact CB-CD1 4.1Å; C401-L430 HydrophobicContact CB-CD2 3.69Å; C401-L430 WeakPolarHBondContact O-CD1 3.38Å; T402-L430 PolarHBondContact OG1-O 3Å; A405-L430 HydrophobicContact CB-CD1 3.58Å; L426-L430 WeakPolarHBondContact O-CB 3.46Å; L426-L430 PolarHBondContact O-N 3.35Å; L426-L430 VanDerWaalsContact O-N 3.08Å; V427-L430 PolarHBondContact O-N 2.83Å; L430-A432 PolarHBondContact O-N 3.05Å; L430-S433 WeakPolarHBondContact O-CA 3.48Å; L430-S433 VanDerWaalsContact O-CB 3.31Å; L430-S433 WeakPolarHBondContact O-CB 3.43Å; L430-S433 PolarHBondContact O-N 3.47Å; L430-S433 PolarHBondContact O-OG 2.81Å
431S97.7Very high97.2Very high31 Ų3129.5 Ų29.522%0.21717%0.173CC..Hα-helixtrans-56-37.6-179.6-58.70000112.2V427 T428 K429 S433 C434V427-S431 PolarHBondContact O-N 3.31Å; V427-S431 PolarHBondContact O-OG 3.27Å; T428-S431 PolarHBondContact O-N 3.24Å; K429-S431 VanDerWaalsContact C-N 3.34Å; K429-S431 PolarHBondContact O-N 2.97Å; S431-S433 VanDerWaalsContact C-N 3.27Å; S431-S433 PolarHBondContact O-N 3.39Å; S431-C434 PolarHBondContact O-N 3.33Å
432A96.6Very high97.2Very high29 Ų2931.3 Ų31.324%0.2419%0.185CC..Hα-helixtrans-64.2-32.6176.700000112.7F247 K429 L430 C434 T435 Y436F247-A432 HydrophobicContact CD2-CB 4.44Å; F247-A432 HydrophobicContact CE2-CB 3.61Å; F247-A432 HydrophobicContact CZ-CB 4.42Å; K429-A432 PolarHBondContact O-N 3.28Å; L430-A432 PolarHBondContact O-N 3.05Å; A432-C434 PolarHBondContact O-N 3.24Å; A432-T435 PolarHBondContact O-N 2.66Å; A432-Y436 VanDerWaalsContact C-CD1 3.45Å; A432-Y436 HydrophobicContact CB-CD1 3.96Å; A432-Y436 HydrophobicContact CB-CE1 3.86Å; A432-Y436 WeakPolarHBondContact O-CD1 3.02Å; A432-Y436 PolarHBondContact O-N 3.45Å
433S96.9Very high97.2Very high1 Ų131.4 Ų31.41%0.00719%0.185CC..Hα-helixtrans-67.3-19.1-178.977.70000113.5K394 S398 L430 S431 T435 Y436K394-S433 WeakPolarHBondContact CE-O 3.31Å; K394-S433 PolarHBondContact NZ-O 2.87Å; S398-S433 VanDerWaalsContact CB-OG 3.25Å; S398-S433 WeakPolarHBondContact CB-OG 3.24Å; L430-S433 WeakPolarHBondContact O-CA 3.48Å; L430-S433 VanDerWaalsContact O-CB 3.31Å; L430-S433 WeakPolarHBondContact O-CB 3.43Å; L430-S433 PolarHBondContact O-N 3.47Å; L430-S433 PolarHBondContact O-OG 2.81Å; S431-S433 VanDerWaalsContact C-N 3.27Å; S431-S433 PolarHBondContact O-N 3.39Å; S433-T435 PolarHBondContact O-N 3.27Å; S433-Y436 VanDerWaalsContact CA-CE1 3.46Å; S433-Y436 VanDerWaalsContact CA-CZ 3.49Å; S433-Y436 WeakPolarHBondContact CB-OH 3.44Å
434C98Very high97.2Very high27 Ų2731.5 Ų31.518%0.18219%0.185CC..THydrogen-bonded Turntrans-71.2-14.7170.5-61.40000112.9T402 S431 A432 N440T402-C434 PolarHBondContact OG1-SG 3.39Å; S431-C434 PolarHBondContact O-N 3.33Å; A432-C434 PolarHBondContact O-N 3.24Å; C434-N440 PolarHBondContact O-N 3.47Å; C434-N440 PolarHBondContact O-OD1 2.89Å; C434-N440 VanDerWaalsContact O-OD1 3.14Å
435T97.5Very high97.2Very high98 Ų9831.6 Ų31.660%0.60118%0.184SC*.THydrogen-bonded Turntrans-111.6-52.2-174.8-51.50000112.4A432 S433 G438 E439A432-T435 PolarHBondContact O-N 2.66Å; S433-T435 PolarHBondContact O-N 3.27Å; T435-G438 CarbonylContact O-C 3.6Å; T435-E439 PolarHBondContact O-N 2.93Å
436Y95.3Very high97.2Very high75 Ų7532.6 Ų32.629%0.29419%0.185SC..THydrogen-bonded Turntrans-71.1160.8179.868.2-116.2000111.7L300 K394 A432 S433 G438L300-Y436 HydrophobicContact CD1-CE2 4.44Å; L300-Y436 HydrophobicContact CD2-CE2 4.15Å; K394-Y436 WeakPolarHBondContact CE-O 3.24Å; K394-Y436 PolarHBondContact NZ-O 3.36Å; A432-Y436 VanDerWaalsContact C-CD1 3.45Å; A432-Y436 HydrophobicContact CB-CD1 3.96Å; A432-Y436 HydrophobicContact CB-CE1 3.86Å; A432-Y436 WeakPolarHBondContact O-CD1 3.02Å; A432-Y436 PolarHBondContact O-N 3.45Å; S433-Y436 VanDerWaalsContact CA-CE1 3.46Å; S433-Y436 VanDerWaalsContact CA-CZ 3.49Å; S433-Y436 WeakPolarHBondContact CB-OH 3.44Å; Y436-G438 PolarHBondContact O-N 3.48Å
437E93.8Very high97.2Very high38 Ų3831.8 Ų31.818%0.17818%0.181CC..THydrogen-bonded Turntrans55.228.4-173.6-65-51.6144.700114.7V296 R297 L300V296-E437 HydrophobicContact CG1-CG 3.82Å; R297-E437 PolarHBondContact NE-O 3.48Å; L300-E437 HydrophobicContact CD2-CB 3.88Å; L300-E437 HydrophobicContact CD2-CG 3.65Å
438G95Very high97.2Very high20 Ų2031 Ų3121%0.20618%0.176CC..SBendtrans107.8126.4175.700000111.9K394 T435 Y436 N440 L443K394-G438 PolarHBondContact NZ-O 3.48Å; T435-G438 CarbonylContact O-C 3.6Å; Y436-G438 PolarHBondContact O-N 3.48Å; G438-N440 PolarHBondContact O-N 2.96Å; G438-L443 VanDerWaalsContact O-CD1 3.31Å; G438-L443 WeakPolarHBondContact O-CD1 3.41Å
439E97.6Very high97.2Very high64 Ų6435.5 Ų35.530%0.29919%0.189SC..  trans-62.6134.8176.1-171.3-72.3135.500110.2T435 T441 V442 L443T435-E439 PolarHBondContact O-N 2.93Å; E439-T441 VanDerWaalsContact CD-N 3.27Å; E439-T441 PolarHBondContact O-N 3.33Å; E439-T441 PolarHBondContact OE1-N 3.11Å; E439-T441 PolarHBondContact OE1-OG1 3.32Å; E439-T441 WeakPolarHBondContact OE2-CA 3.43Å; E439-T441 WeakPolarHBondContact OE2-CB 3.3Å; E439-T441 PolarHBondContact OE2-N 2.83Å; E439-V442 HydrophobicContact CB-CG2 4.46Å; E439-V442 PolarHBondContact O-N 2.89Å; E439-V442 VanDerWaalsContact O-N 3.09Å; E439-V442 WeakPolarHBondContact OE2-CG2 3.35Å; E439-V442 PolarHBondContact OE2-N 3.46Å; E439-L443 WeakPolarHBondContact O-CG 3.36Å; E439-L443 PolarHBondContact O-N 3.48Å
440N98.3Very high97.3Very high11 Ų1135.4 Ų35.46%0.05919%0.189CC..Hα-helixtrans-58.2-43-167.1-77.71.9000114K394 A395 S398 C434 G438 V442 L443 Y444K394-N440 PolarHBondContact NZ-OD1 3.4Å; A395-N440 WeakPolarHBondContact CA-OD1 3.33Å; A395-N440 HydrophobicContact CB-CB 4.09Å; A395-N440 PolarHBondContact O-ND2 3.15Å; A395-N440 VanDerWaalsContact O-ND2 3.11Å; S398-N440 PolarHBondContact OG-ND2 3.05Å; S398-N440 PolarHBondContact OG-OD1 2.85Å; C434-N440 PolarHBondContact O-N 3.47Å; C434-N440 PolarHBondContact O-OD1 2.89Å; C434-N440 VanDerWaalsContact O-OD1 3.14Å; G438-N440 PolarHBondContact O-N 2.96Å; N440-V442 VanDerWaalsContact C-N 3.33Å; N440-V442 PolarHBondContact O-N 3.25Å; N440-L443 PolarHBondContact O-N 2.93Å; N440-Y444 WeakPolarHBondContact O-CD2 3.32Å; N440-Y444 PolarHBondContact O-N 2.88Å
441T98.2Very high97.3Very high68 Ų6835.3 Ų35.342%0.41719%0.188SC..Hα-helixtrans-58.9-46.9175.9-61.50000110.8E439 L443 Y444 L445 L540E439-T441 VanDerWaalsContact CD-N 3.27Å; E439-T441 PolarHBondContact O-N 3.33Å; E439-T441 PolarHBondContact OE1-N 3.11Å; E439-T441 PolarHBondContact OE1-OG1 3.32Å; E439-T441 WeakPolarHBondContact OE2-CA 3.43Å; E439-T441 WeakPolarHBondContact OE2-CB 3.3Å; E439-T441 PolarHBondContact OE2-N 2.83Å; T441-L443 VanDerWaalsContact C-N 3.32Å; T441-L443 PolarHBondContact O-N 3.18Å; T441-Y444 PolarHBondContact O-N 3.46Å; T441-L445 HydrophobicContact CG2-CD1 4.44Å; T441-L445 WeakPolarHBondContact O-CG 3.45Å; T441-L445 PolarHBondContact O-N 3.39Å; T441-L540 HydrophobicContact CG2-CD1 4.22Å
442V97.5Very high97.3Very high39 Ų3934.3 Ų34.324%0.23618%0.181CC..Hα-helixtrans-63.2-39.7178.71780000111.8T160 E439 N440 L445 Q446T160-V442 HydrophobicContact CG2-CB 4.09Å; T160-V442 HydrophobicContact CG2-CG1 3.62Å; T160-V442 HydrophobicContact CG2-CG2 3.71Å; E439-V442 HydrophobicContact CB-CG2 4.46Å; E439-V442 PolarHBondContact O-N 2.89Å; E439-V442 VanDerWaalsContact O-N 3.09Å; E439-V442 WeakPolarHBondContact OE2-CG2 3.35Å; E439-V442 PolarHBondContact OE2-N 3.46Å; N440-V442 VanDerWaalsContact C-N 3.33Å; N440-V442 PolarHBondContact O-N 3.25Å; V442-L445 WeakPolarHBondContact O-CB 3.03Å; V442-L445 PolarHBondContact O-N 3.25Å; V442-Q446 PolarHBondContact O-N 3.5Å
443L97.9Very high97.2Very high3 Ų340.2 Ų40.22%0.01620%0.201CC..Hα-helixtrans-64.4-42.7177.2-68.1-171.8000112T391 K394 A395 G438 E439 N440 T441 L445 Q446 V447T391-L443 HydrophobicContact CG2-CD2 3.84Å; K394-L443 HydrophobicContact CD-CD1 3.28Å; K394-L443 HydrophobicContact CG-CD1 4.47Å; A395-L443 HydrophobicContact CB-CB 4.06Å; A395-L443 HydrophobicContact CB-CD1 4.48Å; G438-L443 VanDerWaalsContact O-CD1 3.31Å; G438-L443 WeakPolarHBondContact O-CD1 3.41Å; E439-L443 WeakPolarHBondContact O-CG 3.36Å; E439-L443 PolarHBondContact O-N 3.48Å; N440-L443 PolarHBondContact O-N 2.93Å; T441-L443 VanDerWaalsContact C-N 3.32Å; T441-L443 PolarHBondContact O-N 3.18Å; L443-L445 VanDerWaalsContact C-N 3.27Å; L443-L445 PolarHBondContact O-N 3.49Å; L443-Q446 WeakPolarHBondContact O-CA 3.28Å; L443-Q446 WeakPolarHBondContact O-CB 3.25Å; L443-Q446 PolarHBondContact O-N 3.19Å; L443-V447 PolarHBondContact O-N 3.47Å; L443-V447 VanDerWaalsContact O-N 3.09Å
444Y98.6Very high97.1Very high2 Ų240.4 Ų40.41%0.00820%0.202CC..Hα-helixtrans-62-35.6172.5-74.1-57.1000112.4A395 M396 N440 T441 Q446 V447 A448 L540 A543 K544A395-Y444 HydrophobicContact CB-CD1 4.18Å; A395-Y444 HydrophobicContact CB-CD2 3.96Å; A395-Y444 HydrophobicContact CB-CE1 3.88Å; A395-Y444 HydrophobicContact CB-CE2 3.66Å; A395-Y444 HydrophobicContact CB-CG 4.21Å; M396-Y444 WeakPolarHBondContact CA-OH 3.47Å; M396-Y444 WeakPolarHBondContact CB-OH 3.18Å; M396-Y444 PolarHBondContact N-OH 3.41Å; N440-Y444 WeakPolarHBondContact O-CD2 3.32Å; N440-Y444 PolarHBondContact O-N 2.88Å; T441-Y444 PolarHBondContact O-N 3.46Å; Y444-Q446 VanDerWaalsContact C-N 3.26Å; Y444-Q446 PolarHBondContact O-N 2.88Å; Y444-V447 WeakPolarHBondContact O-CB 3.19Å; Y444-V447 PolarHBondContact O-N 2.83Å; Y444-A448 PolarHBondContact O-N 3.29Å; Y444-L540 HydrophobicContact CD2-CD1 4.01Å; Y444-L540 HydrophobicContact CG-CD1 4.01Å; Y444-A543 HydrophobicContact CD1-CB 4.28Å; Y444-A543 VanDerWaalsContact O-CB 3.27Å; Y444-A543 WeakPolarHBondContact O-CB 3.19Å; Y444-K544 HydrophobicContact CD1-CG 4.11Å; Y444-K544 HydrophobicContact CD2-CG 4.31Å; Y444-K544 HydrophobicContact CE1-CG 3.88Å; Y444-K544 HydrophobicContact CE2-CD 4.35Å; Y444-K544 HydrophobicContact CE2-CG 4.07Å; Y444-K544 HydrophobicContact CG-CG 4.32Å
445L98.1Very high96.9Very high27 Ų2740.5 Ų40.514%0.14120%0.199CC..Hα-helixtrans-67.4-25.4173.2-67.9174.8000112.9T441 V442 L443 R449 T536 H539T441-L445 HydrophobicContact CG2-CD1 4.44Å; T441-L445 WeakPolarHBondContact O-CG 3.45Å; T441-L445 PolarHBondContact O-N 3.39Å; V442-L445 WeakPolarHBondContact O-CB 3.03Å; V442-L445 PolarHBondContact O-N 3.25Å; L443-L445 VanDerWaalsContact C-N 3.27Å; L443-L445 PolarHBondContact O-N 3.49Å; L445-R449 WeakPolarHBondContact O-CG 3.44Å; L445-R449 PolarHBondContact O-N 3.15Å; L445-T536 HydrophobicContact CD1-CG2 4.36Å; L445-T536 HydrophobicContact CD2-CG2 4.08Å; L445-H539 HydrophobicContact CD2-CB 4.26Å
446Q97.2Very high96.7Very high56 Ų5639.1 Ų39.126%0.26219%0.188SC..Hα-helixtrans-70.3-41.6170-67.7175.5-8.800111.2H387 V442 L443 Y444 R449 F450H387-Q446 PolarHBondContact CE1-OE1 3.34Å; H387-Q446 PolarHBondContact NE2-OE1 3.25Å; V442-Q446 PolarHBondContact O-N 3.5Å; L443-Q446 WeakPolarHBondContact O-CA 3.28Å; L443-Q446 WeakPolarHBondContact O-CB 3.25Å; L443-Q446 PolarHBondContact O-N 3.19Å; Y444-Q446 VanDerWaalsContact C-N 3.26Å; Y444-Q446 PolarHBondContact O-N 2.88Å; Q446-R449 PolarHBondContact O-N 3.24Å; Q446-F450 PolarHBondContact O-N 2.89Å
447V98.3Very high96.4Very high0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-60.2-45.9171.3-179.80000110.7A388 L443 Y444 R449 F450 L451 A543A388-V447 WeakPolarHBondContact O-CG2 3.38Å; L443-V447 PolarHBondContact O-N 3.47Å; L443-V447 VanDerWaalsContact O-N 3.09Å; Y444-V447 WeakPolarHBondContact O-CB 3.19Å; Y444-V447 PolarHBondContact O-N 2.83Å; V447-R449 VanDerWaalsContact C-N 3.3Å; V447-R449 PolarHBondContact O-N 2.84Å; V447-F450 WeakPolarHBondContact O-CA 3.45Å; V447-F450 WeakPolarHBondContact O-CB 3.4Å; V447-F450 PolarHBondContact O-N 2.85Å; V447-L451 HydrophobicContact CG1-CD1 3.93Å; V447-L451 HydrophobicContact CG1-CG 4.11Å; V447-L451 WeakPolarHBondContact O-CG 3.45Å; V447-L451 PolarHBondContact O-N 2.95Å; V447-A543 HydrophobicContact CB-CB 4.02Å; V447-A543 HydrophobicContact CG1-CB 4.02Å
448A98.1Very high96.1Very high0 Ų038 Ų380%019%0.188CC..Hα-helixtrans-58.4-40.5179.600000112.7Y444 F450 L451 V452 H539 A543Y444-A448 PolarHBondContact O-N 3.29Å; A448-F450 VanDerWaalsContact C-N 3.32Å; A448-F450 PolarHBondContact O-N 2.89Å; A448-L451 PolarHBondContact O-N 2.97Å; A448-V452 WeakPolarHBondContact O-CB 3.44Å; A448-V452 VanDerWaalsContact O-CG2 3.31Å; A448-V452 WeakPolarHBondContact O-CG2 3.43Å; A448-V452 PolarHBondContact O-N 2.78Å; A448-H539 HydrophobicContact CB-CB 3.68Å; A448-A543 HydrophobicContact CB-CB 4.24Å
449R97.4Very high95.6Very high127 Ų12742.6 Ų42.648%0.47920%0.204SC..Hα-helixtrans-59.8-42.4173.6-73.5178.9-179.3106.8-3.9112.2L445 Q446 V447 K453 W532L445-R449 WeakPolarHBondContact O-CG 3.44Å; L445-R449 PolarHBondContact O-N 3.15Å; Q446-R449 PolarHBondContact O-N 3.24Å; V447-R449 VanDerWaalsContact C-N 3.3Å; V447-R449 PolarHBondContact O-N 2.84Å; R449-K453 WeakPolarHBondContact O-CB 3.41Å; R449-K453 PolarHBondContact O-N 3.1Å; R449-K453 VanDerWaalsContact O-N 3.15Å; R449-W532 HydrophobicContact CB-CH2 4.19Å; R449-W532 HydrophobicContact CG-CH2 3.34Å; R449-W532 HydrophobicContact CG-CZ2 3.36Å; R449-W532 HydrophobicContact CG-CZ3 4.27Å
450F97.3Very high94.7Very high25 Ų2544.7 Ų44.711%0.1122%0.215CC..Hα-helixtrans-62.9-45.6174.8171.2-102.7000111.3E385 A388 Q446 V447 A448 K453 S454 P471 V474E385-F450 HydrophobicContact CB-CZ 4.48Å; A388-F450 HydrophobicContact CB-CB 3.84Å; A388-F450 HydrophobicContact CB-CD1 3.43Å; A388-F450 VanDerWaalsContact CB-CD1 3.43Å; A388-F450 HydrophobicContact CB-CD2 4.05Å; A388-F450 HydrophobicContact CB-CE1 3.89Å; A388-F450 HydrophobicContact CB-CE2 4.47Å; A388-F450 HydrophobicContact CB-CG 3.5Å; A388-F450 HydrophobicContact CB-CZ 4.4Å; Q446-F450 PolarHBondContact O-N 2.89Å; V447-F450 WeakPolarHBondContact O-CA 3.45Å; V447-F450 WeakPolarHBondContact O-CB 3.4Å; V447-F450 PolarHBondContact O-N 2.85Å; A448-F450 VanDerWaalsContact C-N 3.32Å; A448-F450 PolarHBondContact O-N 2.89Å; F450-K453 PolarHBondContact O-N 2.95Å; F450-S454 WeakPolarHBondContact O-CB 3.32Å; F450-S454 PolarHBondContact O-N 2.65Å; F450-S454 PolarHBondContact O-OG 3.49Å; F450-P471 HydrophobicContact CE2-CG 4.21Å; F450-P471 HydrophobicContact CZ-CB 4.25Å; F450-P471 HydrophobicContact CZ-CG 3.98Å; F450-V474 HydrophobicContact CD1-CG1 4.35Å; F450-V474 HydrophobicContact CE1-CG1 3.55Å; F450-V474 HydrophobicContact CE1-CG2 4.33Å; F450-V474 HydrophobicContact CZ-CG1 4.24Å; F450-V474 HydrophobicContact CZ-CG2 4.19Å
451L97.9Very high92.9Very high0 Ų048.3 Ų48.30%024%0.242CC..Hα-helixtrans-64.4-45.4179.5-65176.6000113V447 A448 K453 S454 Y455 V474 I511 A543 H546V447-L451 HydrophobicContact CG1-CD1 3.93Å; V447-L451 HydrophobicContact CG1-CG 4.11Å; V447-L451 WeakPolarHBondContact O-CG 3.45Å; V447-L451 PolarHBondContact O-N 2.95Å; A448-L451 PolarHBondContact O-N 2.97Å; L451-K453 VanDerWaalsContact C-N 3.31Å; L451-K453 PolarHBondContact O-N 3.43Å; L451-S454 PolarHBondContact O-N 2.93Å; L451-Y455 WeakPolarHBondContact O-CB 3.36Å; L451-Y455 PolarHBondContact O-N 3.27Å; L451-V474 HydrophobicContact CD2-CG1 3.68Å; L451-I511 HydrophobicContact CB-CD1 3.6Å; L451-I511 HydrophobicContact CB-CG1 3.95Å; L451-A543 HydrophobicContact CD1-CB 4.46Å; L451-H546 HydrophobicContact CD1-CB 3.63Å; L451-H546 HydrophobicContact CD2-CB 4.2Å
452V96.7Very high90.9Very high11 Ų1150.8 Ų50.87%0.06726%0.259CS..Hα-helixtrans-58.7-45.8177166.40000110A448 Y455 L456 I511 V515 L518 W532A448-V452 WeakPolarHBondContact O-CB 3.44Å; A448-V452 VanDerWaalsContact O-CG2 3.31Å; A448-V452 WeakPolarHBondContact O-CG2 3.43Å; A448-V452 PolarHBondContact O-N 2.78Å; V452-Y455 PolarHBondContact O-N 2.91Å; V452-L456 HydrophobicContact CG1-CD1 3.91Å; V452-L456 HydrophobicContact CG1-CG 4.47Å; V452-L456 WeakPolarHBondContact O-CB 3.41Å; V452-L456 VanDerWaalsContact O-CG 3.26Å; V452-L456 WeakPolarHBondContact O-CG 3.25Å; V452-L456 PolarHBondContact O-N 2.69Å; V452-I511 HydrophobicContact CG2-CD1 3.84Å; V452-V515 HydrophobicContact CB-CG2 4.25Å; V452-V515 HydrophobicContact CG1-CG2 4.07Å; V452-V515 HydrophobicContact CG2-CG2 3.94Å; V452-L518 HydrophobicContact CG1-CD2 4.3Å; V452-W532 HydrophobicContact CG2-CH2 4.41Å; V452-W532 HydrophobicContact CG2-CZ3 4.19Å
453K95.3Very high88.9Confident152 Ų15252.9 Ų52.966%0.66129%0.288SS*.Hα-helixtrans-62-46.9177.5-176.4-179.5177.3-1780111.7R449 F450 L451 L456 Q457R449-K453 WeakPolarHBondContact O-CB 3.41Å; R449-K453 PolarHBondContact O-N 3.1Å; R449-K453 VanDerWaalsContact O-N 3.15Å; F450-K453 PolarHBondContact O-N 2.95Å; L451-K453 VanDerWaalsContact C-N 3.31Å; L451-K453 PolarHBondContact O-N 3.43Å; K453-L456 PolarHBondContact O-N 3.01Å; K453-Q457 PolarHBondContact O-N 3.49Å; K453-Q457 VanDerWaalsContact O-N 3.09Å
454S95Very high86.7Confident5 Ų555.7 Ų55.74%0.03531%0.308CS..Hα-helixtrans-63.4-41.3179.5-62.60000111.9F450 L451 Q457 T458F450-S454 WeakPolarHBondContact O-CB 3.32Å; F450-S454 PolarHBondContact O-N 2.65Å; F450-S454 PolarHBondContact O-OG 3.49Å; L451-S454 PolarHBondContact O-N 2.93Å; S454-Q457 WeakPolarHBondContact O-CB 3.47Å; S454-Q457 PolarHBondContact O-N 2.97Å; S454-T458 PolarHBondContact O-N 3.32Å
455Y94.3Very high84.4Confident30 Ų3061.1 Ų61.112%0.11834%0.341CS..Hα-helixtrans-66.6-44.8176-179-95.6000112.1L451 V452 Q457 T458 Q459 I511 K512 V515L451-Y455 WeakPolarHBondContact O-CB 3.36Å; L451-Y455 PolarHBondContact O-N 3.27Å; V452-Y455 PolarHBondContact O-N 2.91Å; Y455-Q457 PolarHBondContact O-N 2.91Å; Y455-T458 PolarHBondContact O-N 3.47Å; Y455-T458 PolarHBondContact O-OG1 2.88Å; Y455-Q459 HydrophobicContact CD1-CG 4.47Å; Y455-Q459 HydrophobicContact CE1-CG 4.06Å; Y455-Q459 PolarHBondContact O-N 3Å; Y455-I511 HydrophobicContact CD2-CG2 4.11Å; Y455-I511 HydrophobicContact CG-CG1 4.47Å; Y455-K512 HydrophobicContact CE2-CB 3.93Å; Y455-K512 VanDerWaalsContact OH-CG 3.31Å; Y455-K512 WeakPolarHBondContact OH-CG 3.49Å; Y455-V515 HydrophobicContact CD1-CB 3.87Å; Y455-V515 HydrophobicContact CD1-CG1 3.89Å; Y455-V515 HydrophobicContact CD1-CG2 3.74Å; Y455-V515 HydrophobicContact CE1-CB 4.05Å; Y455-V515 HydrophobicContact CE1-CG1 4Å; Y455-V515 HydrophobicContact CE1-CG2 4.41Å; Y455-V515 HydrophobicContact CG-CG2 4.41Å
456L92.3Very high82.1Confident68 Ų6865.8 Ų65.836%0.35637%0.374SS..Hα-helixtrans-60.6-31.7176.2-71.5171.9000112.3V452 K453 T458 Q459 M460 V515V452-L456 HydrophobicContact CG1-CD1 3.91Å; V452-L456 HydrophobicContact CG1-CG 4.47Å; V452-L456 WeakPolarHBondContact O-CB 3.41Å; V452-L456 VanDerWaalsContact O-CG 3.26Å; V452-L456 WeakPolarHBondContact O-CG 3.25Å; V452-L456 PolarHBondContact O-N 2.69Å; K453-L456 PolarHBondContact O-N 3.01Å; L456-T458 VanDerWaalsContact C-N 3.3Å; L456-T458 PolarHBondContact O-N 3.32Å; L456-Q459 PolarHBondContact O-N 3.47Å; L456-M460 WeakPolarHBondContact O-CG 3.37Å; L456-V515 HydrophobicContact CD2-CG1 3.74Å; L456-V515 HydrophobicContact CG-CG1 4.34Å
457Q90.1Very high80.1Confident51 Ų5169.5 Ų69.524%0.23839%0.391CS..Hα-helixtrans-65.2-30.7174.5-171.9178.6-11.200112.8K453 S454 Y455 Q459 R468K453-Q457 PolarHBondContact O-N 3.49Å; K453-Q457 VanDerWaalsContact O-N 3.09Å; S454-Q457 WeakPolarHBondContact O-CB 3.47Å; S454-Q457 PolarHBondContact O-N 2.97Å; Y455-Q457 PolarHBondContact O-N 2.91Å; Q457-Q459 VanDerWaalsContact C-N 3.27Å; Q457-Q459 PolarHBondContact O-N 2.97Å; Q457-R468 PolarHBondContact NE2-O 2.87Å
458T87.7Confident78.4Confident40 Ų4077.7 Ų77.725%0.24542%0.422CS..Hα-helixtrans-73.5-20.7175.773.10000112.9S454 Y455 L456 L470 L477S454-T458 PolarHBondContact O-N 3.32Å; Y455-T458 PolarHBondContact O-N 3.47Å; Y455-T458 PolarHBondContact O-OG1 2.88Å; L456-T458 VanDerWaalsContact C-N 3.3Å; L456-T458 PolarHBondContact O-N 3.32Å; T458-L470 HydrophobicContact CG2-CD1 3.4Å; T458-L470 VanDerWaalsContact CG2-CD1 3.4Å; T458-L470 HydrophobicContact CG2-CD2 4.21Å; T458-L470 HydrophobicContact CG2-CG 4.23Å; T458-L477 HydrophobicContact CG2-CB 4.22Å
459Q84.1Confident77.4Confident116 Ų11682.7 Ų82.754%0.54246%0.457SS..THydrogen-bonded Turntrans-85.8-10.4178.8-56.9-58.7-53.900113.5Y455 L456 Q457Y455-Q459 HydrophobicContact CD1-CG 4.47Å; Y455-Q459 HydrophobicContact CE1-CG 4.06Å; Y455-Q459 PolarHBondContact O-N 3Å; L456-Q459 PolarHBondContact O-N 3.47Å; Q457-Q459 VanDerWaalsContact C-N 3.27Å; Q457-Q459 PolarHBondContact O-N 2.97Å
460M78.3Confident77Confident107 Ų10778.2 Ų78.253%0.52744%0.442SS..SBendtrans-72.8135.9-179.2-58.7-170.99800111.1L456L456-M460 WeakPolarHBondContact O-CG 3.37Å
461S61.6Low76.7Confident88 Ų8878.4 Ų78.462%0.61545%0.446SS*.  trans-62.6137.7-176.7-53.10000112.3G463 S464S461-G463 PolarHBondContact O-N 3.11Å; S461-S464 PolarHBondContact O-N 3.11Å; S461-S464 PolarHBondContact O-OG 2.92Å
462P55.8Low76.5Confident119 Ų11982.8 Ų82.877%0.77347%0.474SS*.THydrogen-bonded Turntrans-62.2107.4176.223.9-30.9000109.6
463G55.2Low76.4Confident83 Ų8382.8 Ų82.886%0.85648%0.475SS*.THydrogen-bonded Turntrans137.2-12.2-179.500000115.5S461S461-G463 PolarHBondContact O-N 3.11Å
464S52.3Low76.4Confident62 Ų6275.6 Ų75.643%0.43444%0.444SS..SBendtrans-102.2104.8173.953.50000110.2S461S461-S464 PolarHBondContact O-N 3.11Å; S461-S464 PolarHBondContact O-OG 2.92Å
465T49.4Very low76.4Confident116 Ų11677.5 Ų77.571%0.71246%0.46SS*.SBendtrans66.1152.3-175.551.60000116.5Q467T465-Q467 PolarHBondContact O-N 3.3Å
466P49.5Very low76.4Confident126 Ų12676.8 Ų76.882%0.81846%0.457SS*.  trans-57.4113.2175.321.5-31.4000108.9R468P466-R468 VanDerWaalsContact C-N 3.35Å; P466-R468 PolarHBondContact O-N 3.17Å
467Q55.9Low76.4Confident134 Ų13474.5 Ų74.563%0.62645%0.445SS*.  trans-64.295.6-176.7-154.2169.713.600107.5T465 S469T465-Q467 PolarHBondContact O-N 3.3Å; Q467-S469 PolarHBondContact O-N 3.26Å
468R62Low76.4Confident171 Ų17175.7 Ų75.765%0.64546%0.463SS*.PPolyproline II helixtrans-59.1125.8176.3-160171.6-174164.21.3106.3Q457 P466 L470Q457-R468 PolarHBondContact NE2-O 2.87Å; P466-R468 VanDerWaalsContact C-N 3.35Å; P466-R468 PolarHBondContact O-N 3.17Å; R468-L470 PolarHBondContact O-N 2.95Å
469S77.9Confident76.2Confident105 Ų10578 Ų7873%0.73448%0.478SS*.PPolyproline II helixtrans-55.3141.9177.147.70000109.5Q467Q467-S469 PolarHBondContact O-N 3.26Å
470L87.8Confident75.9Confident33 Ų3377.9 Ų77.917%0.17349%0.487CS..PPolyproline II helixtrans-60.4142.3173.6-76.4177.5000109.6T458 R468 V474 L477 A478T458-L470 HydrophobicContact CG2-CD1 3.4Å; T458-L470 VanDerWaalsContact CG2-CD1 3.4Å; T458-L470 HydrophobicContact CG2-CD2 4.21Å; T458-L470 HydrophobicContact CG2-CG 4.23Å; R468-L470 PolarHBondContact O-N 2.95Å; L470-V474 HydrophobicContact CB-CG2 4.34Å; L470-V474 HydrophobicContact CD2-CG2 4.43Å; L470-L477 HydrophobicContact CD1-CB 4.19Å; L470-A478 HydrophobicContact CD1-CB 4.05Å
471P92.1Very high75.8Confident30 Ų3077.3 Ų77.320%0.19549%0.486CS..PPolyproline II helixtrans-56.9145.1171.5-21.931.2000111.5E385 F450 S473 V474 A475E385-P471 HydrophobicContact CB-CB 4.25Å; E385-P471 HydrophobicContact CG-CB 4.11Å; E385-P471 WeakPolarHBondContact OE1-CB 3.17Å; F450-P471 HydrophobicContact CE2-CG 4.21Å; F450-P471 HydrophobicContact CZ-CB 4.25Å; F450-P471 HydrophobicContact CZ-CG 3.98Å; P471-S473 PolarHBondContact O-N 3.26Å; P471-S473 VanDerWaalsContact O-N 3.11Å; P471-V474 HydrophobicContact CB-CG2 4.1Å; P471-V474 HydrophobicContact CG-CG2 4.14Å; P471-V474 CarbonylContact O-C 3.54Å; P471-V474 WeakPolarHBondContact O-CG2 3.48Å; P471-V474 PolarHBondContact O-N 3.35Å; P471-A475 PolarHBondContact O-N 2.96Å; P471-A475 VanDerWaalsContact O-N 3.17Å
472P92.7Very high76.7Confident91 Ų9177.3 Ų77.359%0.59148%0.479SS*.G310 helixtrans-53.2-34.5-177.3-28.835.7000114.4E385 V474 A475E385-P472 WeakPolarHBondContact OE1-CD 3.42Å; P472-V474 PolarHBondContact O-N 3.49Å; P472-A475 PolarHBondContact O-N 3.18Å
473S94.8Very high78.1Confident12 Ų1275 Ų758%0.08447%0.47CS..G310 helixtrans-60.6-26177.653.80000114.1E385 P471 H546E385-S473 WeakPolarHBondContact OE1-CB 3.39Å; E385-S473 PolarHBondContact OE1-N 3.43Å; E385-S473 PolarHBondContact OE1-OG 3.02Å; P471-S473 PolarHBondContact O-N 3.26Å; P471-S473 VanDerWaalsContact O-N 3.11Å; S473-H546 PolarHBondContact O-CE1 3.36Å; S473-H546 VanDerWaalsContact O-CE1 3.3Å
474V96.1Very high79.9Confident0 Ų077.8 Ų77.80%046%0.455CS..G310 helixtrans-120.113-177.1-670000113F450 L451 L470 P471 P472 Y476 L477F450-V474 HydrophobicContact CD1-CG1 4.35Å; F450-V474 HydrophobicContact CE1-CG1 3.55Å; F450-V474 HydrophobicContact CE1-CG2 4.33Å; F450-V474 HydrophobicContact CZ-CG1 4.24Å; F450-V474 HydrophobicContact CZ-CG2 4.19Å; L451-V474 HydrophobicContact CD2-CG1 3.68Å; L470-V474 HydrophobicContact CB-CG2 4.34Å; L470-V474 HydrophobicContact CD2-CG2 4.43Å; P471-V474 HydrophobicContact CB-CG2 4.1Å; P471-V474 HydrophobicContact CG-CG2 4.14Å; P471-V474 CarbonylContact O-C 3.54Å; P471-V474 WeakPolarHBondContact O-CG2 3.48Å; P471-V474 PolarHBondContact O-N 3.35Å; P472-V474 PolarHBondContact O-N 3.49Å; V474-Y476 HydrophobicContact CB-CE1 4.49Å; V474-Y476 HydrophobicContact CG1-CE1 4.48Å; V474-Y476 PolarHBondContact O-N 3.15Å; V474-Y476 VanDerWaalsContact O-N 3.14Å; V474-L477 HydrophobicContact CB-CD1 3.94Å; V474-L477 HydrophobicContact CB-CG 4.32Å; V474-L477 HydrophobicContact CG1-CD1 4.41Å; V474-L477 WeakPolarHBondContact O-CB 3.33Å; V474-L477 WeakPolarHBondContact O-CG 3.3Å; V474-L477 PolarHBondContact O-N 3.1Å
475A94.1Very high81.9Confident46 Ų4675.2 Ų75.238%0.3844%0.436SS..G310 helixtrans-58.8-27.6179.600000112.9P471 P472 L477 A478P471-A475 PolarHBondContact O-N 2.96Å; P471-A475 VanDerWaalsContact O-N 3.17Å; P472-A475 PolarHBondContact O-N 3.18Å; A475-L477 PolarHBondContact O-N 3.17Å; A475-A478 PolarHBondContact O-N 3.37Å; A475-A478 VanDerWaalsContact O-N 3.09Å
476Y94.3Very high84.1Confident15 Ų1573.9 Ų73.96%0.05943%0.43CS..G310 helixtrans-59.8-23.9175.573.3-85.8000113.5V474 A478 T479 A504 A507 A508 H546 Y549V474-Y476 HydrophobicContact CB-CE1 4.49Å; V474-Y476 HydrophobicContact CG1-CE1 4.48Å; V474-Y476 PolarHBondContact O-N 3.15Å; V474-Y476 VanDerWaalsContact O-N 3.14Å; Y476-A478 PolarHBondContact O-N 3.44Å; Y476-T479 WeakPolarHBondContact O-CB 3.35Å; Y476-T479 PolarHBondContact O-N 3.43Å; Y476-T479 VanDerWaalsContact O-N 3.07Å; Y476-A504 HydrophobicContact CD2-CB 4.26Å; Y476-A504 HydrophobicContact CG-CB 4.43Å; Y476-A507 HydrophobicContact CE2-CB 3.78Å; Y476-A508 HydrophobicContact CD2-CB 4.11Å; Y476-A508 HydrophobicContact CE2-CB 3.99Å; Y476-H546 AromaticContact CE1-ND1 3.59Å; Y476-H546 AromaticContact CZ-ND1 3.77Å; Y476-H546 PolarHBondContact OH-ND1 2.86Å; Y476-H546 VanDerWaalsContact OH-ND1 3.08Å; Y476-Y549 AromaticContact CD1-CD1 3.8Å; Y476-Y549 HydrophobicContact CD1-CD1 3.8Å; Y476-Y549 AromaticContact CD1-CE1 3.26Å; Y476-Y549 HydrophobicContact CD1-CE1 3.26Å; Y476-Y549 AromaticContact CD1-CZ 3.83Å; Y476-Y549 AromaticContact CE1-CD1 3.76Å; Y476-Y549 HydrophobicContact CE1-CD1 3.76Å; Y476-Y549 AromaticContact CE1-CE1 3.7Å; Y476-Y549 HydrophobicContact CE1-CE1 3.7Å; Y476-Y549 HydrophobicContact CG-CD1 4.44Å; Y476-Y549 AromaticContact CG-CE1 3.9Å; Y476-Y549 HydrophobicContact CG-CE1 3.9Å
477L93.7Very high86.4Confident20 Ų2067.9 Ų67.911%0.10539%0.391CS..G310 helixtrans-66.4-15.3176.4-61.3-179.8000113.6T458 L470 V474 A475 A508 I511T458-L477 HydrophobicContact CG2-CB 4.22Å; L470-L477 HydrophobicContact CD1-CB 4.19Å; V474-L477 HydrophobicContact CB-CD1 3.94Å; V474-L477 HydrophobicContact CB-CG 4.32Å; V474-L477 HydrophobicContact CG1-CD1 4.41Å; V474-L477 WeakPolarHBondContact O-CB 3.33Å; V474-L477 WeakPolarHBondContact O-CG 3.3Å; V474-L477 PolarHBondContact O-N 3.1Å; A475-L477 PolarHBondContact O-N 3.17Å; L477-A508 HydrophobicContact CD2-CB 4.24Å; L477-I511 HydrophobicContact CD2-CG2 3.67Å
478A88.6Confident88.3Confident75 Ų7568.4 Ų68.462%0.6239%0.393SS*.G310 helixtrans-99.1-4.317500000113.2L470 A475 Y476L470-A478 HydrophobicContact CD1-CB 4.05Å; A475-A478 PolarHBondContact O-N 3.37Å; A475-A478 VanDerWaalsContact O-N 3.09Å; Y476-A478 PolarHBondContact O-N 3.44Å
479T84.3Confident90Very high89 Ų8967.7 Ų67.755%0.54639%0.391SS..SBendtrans-84.6141179.6-550000109.7Y476 D481Y476-T479 WeakPolarHBondContact O-CB 3.35Å; Y476-T479 PolarHBondContact O-N 3.43Å; Y476-T479 VanDerWaalsContact O-N 3.07Å; T479-D481 PolarHBondContact O-N 2.88Å
480P77.5Confident90.9Very high113 Ų11363.8 Ų63.873%0.73437%0.365SS*.PPolyproline II helixtrans-59.2136.3176.9-23.533.4000112.5L482P480-L482 PolarHBondContact O-N 3.38Å
481D77.1Confident91.4Very high96 Ų9664.4 Ų64.451%0.51338%0.375SS..PPolyproline II helixtrans-62.7128.2176.6-66.7-27.9000110.6T479 A483T479-D481 PolarHBondContact O-N 2.88Å; D481-A483 PolarHBondContact O-N 3.42Å
482L79.8Confident91.6Very high88 Ų8864.3 Ų64.346%0.46137%0.373SS..PPolyproline II helixtrans-78.3120167.3-90.9153.3000109P480 R484 T501 H505 F596P480-L482 PolarHBondContact O-N 3.38Å; L482-R484 VanDerWaalsContact C-N 3.27Å; L482-R484 PolarHBondContact O-N 3.33Å; L482-T501 HydrophobicContact CD1-CG2 3.24Å; L482-H505 PolarHBondContact O-CE1 3.31Å; L482-H505 PolarHBondContact O-ND1 2.86Å; L482-F596 HydrophobicContact CB-CE2 4.09Å; L482-F596 WeakPolarHBondContact O-CD2 3.08Å
483A84.2Confident91.9Very high71 Ų7160 Ų6059%0.58735%0.345SS*.SBendtrans-62.8-32.7-17700000113.3D481D481-A483 PolarHBondContact O-N 3.42Å
484R93.7Very high92Very high141 Ų14162.4 Ų62.453%0.53236%0.356SS..SBendtrans-147.9151.5-175.2-62.5-65.5177.1-113.912.1111.4L482 D594 A595L482-R484 VanDerWaalsContact C-N 3.27Å; L482-R484 PolarHBondContact O-N 3.33Å; R484-D594 PolarHBondContact NH1-O 3.17Å; R484-A595 WeakPolarHBondContact CD-O 3.38Å; R484-A595 PolarHBondContact NE-O 2.65Å; R484-A595 PolarHBondContact NH1-O 3.13Å
485C94.8Very high92Very high7 Ų764.9 Ų64.95%0.04737%0.373CS..  trans-69.6132.3171.1-176.90000110.8A487 F596 L597 Q601C485-A487 VanDerWaalsContact C-N 3.31Å; C485-A487 PolarHBondContact O-N 2.91Å; C485-F596 HydrophobicContact CB-CD1 4.16Å; C485-F596 HydrophobicContact CB-CE1 3.75Å; C485-F596 HydrophobicContact CB-CZ 4Å; C485-F596 VanDerWaalsContact CB-O 3.26Å; C485-F596 WeakPolarHBondContact CB-O 3.38Å; C485-F596 PolarHBondContact N-O 2.78Å; C485-L597 HydrophobicContact CB-CD2 3.44Å; C485-L597 VanDerWaalsContact CB-CD2 3.44Å; C485-L597 VanDerWaalsContact SG-CD2 3.59Å; C485-Q601 PolarHBondContact O-NE2 2.66Å
486P95.6Very high92.1Very high88 Ų8863.4 Ų63.457%0.57136%0.359SS*.  trans-79.4-8.1-177.731.8-36000114.2Q488 L498P486-Q488 PolarHBondContact O-N 3.28Å; P486-Q488 PolarHBondContact O-NE2 3.45Å; P486-L498 HydrophobicContact CG-CD1 4.19Å
487A96.8Very high92.2Very high1 Ų168 Ų681%0.00838%0.381CS..  trans-56.6130.3-175.200000112.5C485 D492 F493 L498 Q601C485-A487 VanDerWaalsContact C-N 3.31Å; C485-A487 PolarHBondContact O-N 2.91Å; A487-D492 HydrophobicContact CB-CB 4.02Å; A487-F493 HydrophobicContact CB-CD2 4.25Å; A487-F493 HydrophobicContact CB-CE2 3.69Å; A487-F493 HydrophobicContact CB-CZ 3.99Å; A487-L498 HydrophobicContact CB-CD1 3.87Å; A487-Q601 PolarHBondContact O-NE2 3.34Å
488Q97.2Very high92.4Very high145 Ų14568.1 Ų68.168%0.67838%0.382SS*.  trans-116.1-17.2177.3-58.6-54.9-49.600112.9P486 D492 M604P486-Q488 PolarHBondContact O-N 3.28Å; P486-Q488 PolarHBondContact O-NE2 3.45Å; Q488-D492 PolarHBondContact N-OD2 3.32Å; Q488-M604 VanDerWaalsContact O-CE 3.22Å; Q488-M604 WeakPolarHBondContact O-CE 3.49Å
489R97.5Very high92.7Very high155 Ų15564.5 Ų64.559%0.58535%0.352SS*.SBendtrans-143.9158.8-179.852.5176.8175.6120.115.6110.8A491 D492R489-A491 HydrophobicContact CG-CB 4.48Å; R489-A491 PolarHBondContact O-N 2.96Å; R489-D492 VanDerWaalsContact CG-CG 3.46Å; R489-D492 WeakPolarHBondContact CG-OD1 3.44Å; R489-D492 WeakPolarHBondContact CG-OD2 3.38Å; R489-D492 IonicContact CZ-OD1 3.1Å; R489-D492 PolarHBondContact N-OD2 3.46Å; R489-D492 IonicContact NE-OD1 2.9Å; R489-D492 PolarHBondContact NE-OD1 3.4Å; R489-D492 IonicContact NE-OD2 3.96Å; R489-D492 IonicContact NH2-OD1 2.75Å; R489-D492 PolarHBondContact NH2-OD1 3Å; R489-D492 WeakPolarHBondContact O-CB 3.15Å; R489-D492 PolarHBondContact O-N 3.12Å
490A97.1Very high93.3Very high23 Ų2361.3 Ų61.319%0.1933%0.332CS..G310 helixtrans-53.6-38.6178.600000113.3D492 F493 M604 T607 A608A490-D492 PolarHBondContact O-N 2.91Å; A490-F493 WeakPolarHBondContact O-CB 3.33Å; A490-F493 PolarHBondContact O-N 3Å; A490-F493 VanDerWaalsContact O-N 3.11Å; A490-M604 HydrophobicContact CB-CB 4.4Å; A490-M604 WeakPolarHBondContact CB-O 3.07Å; A490-T607 HydrophobicContact CB-CG2 4.18Å; A490-A608 HydrophobicContact CB-CB 4.34Å
491A97.3Very high94.2Very high46 Ų4658.6 Ų58.638%0.3831%0.314SS..G310 helixtrans-62.7-22.2178.700000114.1R489 F493 L494R489-A491 HydrophobicContact CG-CB 4.48Å; R489-A491 PolarHBondContact O-N 2.96Å; A491-F493 PolarHBondContact O-N 3.35Å; A491-L494 WeakPolarHBondContact O-CB 3.42Å; A491-L494 PolarHBondContact O-N 3.33Å; A491-L494 VanDerWaalsContact O-N 3.15Å
492D97.6Very high95.2Very high29 Ų2954 Ų5416%0.15529%0.29CS..G310 helixtrans-69.5-25.8177.1-58-32.9000111.6A487 Q488 R489 A490 L494 C495 L498A487-D492 HydrophobicContact CB-CB 4.02Å; Q488-D492 PolarHBondContact N-OD2 3.32Å; R489-D492 VanDerWaalsContact CG-CG 3.46Å; R489-D492 WeakPolarHBondContact CG-OD1 3.44Å; R489-D492 WeakPolarHBondContact CG-OD2 3.38Å; R489-D492 IonicContact CZ-OD1 3.1Å; R489-D492 PolarHBondContact N-OD2 3.46Å; R489-D492 IonicContact NE-OD1 2.9Å; R489-D492 PolarHBondContact NE-OD1 3.4Å; R489-D492 IonicContact NE-OD2 3.96Å; R489-D492 IonicContact NH2-OD1 2.75Å; R489-D492 PolarHBondContact NH2-OD1 3Å; R489-D492 WeakPolarHBondContact O-CB 3.15Å; R489-D492 PolarHBondContact O-N 3.12Å; A490-D492 PolarHBondContact O-N 2.91Å; D492-L494 PolarHBondContact O-N 2.85Å; D492-C495 WeakPolarHBondContact O-CB 3.15Å; D492-C495 PolarHBondContact O-N 3.46Å; D492-L498 HydrophobicContact CB-CD1 4.17Å
493F97.6Very high96Very high1 Ų150 Ų500%0.00427%0.268CS..G310 helixtrans-71.7-10.6173.7-76.1-82.9000113.3A487 A490 A491 C495 L498 I581 L597 Q601 M604 A605 A608A487-F493 HydrophobicContact CB-CD2 4.25Å; A487-F493 HydrophobicContact CB-CE2 3.69Å; A487-F493 HydrophobicContact CB-CZ 3.99Å; A490-F493 WeakPolarHBondContact O-CB 3.33Å; A490-F493 PolarHBondContact O-N 3Å; A490-F493 VanDerWaalsContact O-N 3.11Å; A491-F493 PolarHBondContact O-N 3.35Å; F493-C495 PolarHBondContact O-N 3.45Å; F493-L498 HydrophobicContact CD1-CD2 3.87Å; F493-L498 HydrophobicContact CE1-CD2 4.01Å; F493-I581 HydrophobicContact CB-CD1 4.03Å; F493-I581 HydrophobicContact CB-CG1 4.32Å; F493-L597 HydrophobicContact CE1-CD2 4.28Å; F493-L597 HydrophobicContact CZ-CD2 4.03Å; F493-Q601 HydrophobicContact CE2-CB 4.43Å; F493-Q601 WeakPolarHBondContact CE2-O 3.41Å; F493-Q601 HydrophobicContact CZ-CB 4.16Å; F493-Q601 WeakPolarHBondContact CZ-O 3.47Å; F493-M604 HydrophobicContact CD2-CB 4.17Å; F493-M604 HydrophobicContact CE2-CB 3.86Å; F493-A605 HydrophobicContact CD1-CB 3.92Å; F493-A605 HydrophobicContact CD2-CB 4.15Å; F493-A605 HydrophobicContact CE1-CB 3.88Å; F493-A605 HydrophobicContact CE2-CB 4.11Å; F493-A605 HydrophobicContact CG-CB 4.06Å; F493-A605 HydrophobicContact CZ-CB 3.97Å; F493-A608 HydrophobicContact CB-CB 4.3Å
494L97.3Very high96.6Very high61 Ų6147.4 Ų47.432%0.31925%0.247SC..G310 helixtrans-88.522.1171.3-51.6179.5000111.4A491 D492 K573 D577 I581 A608 L612A491-L494 WeakPolarHBondContact O-CB 3.42Å; A491-L494 PolarHBondContact O-N 3.33Å; A491-L494 VanDerWaalsContact O-N 3.15Å; D492-L494 PolarHBondContact O-N 2.85Å; L494-K573 PolarHBondContact O-NZ 2.94Å; L494-D577 HydrophobicContact CD2-CB 4.11Å; L494-I581 HydrophobicContact CD2-CD1 4.1Å; L494-A608 HydrophobicContact CD2-CB 4.21Å; L494-L612 HydrophobicContact CD2-CD1 3.71Å; L494-L612 HydrophobicContact CD2-CD2 4.15Å; L494-L612 HydrophobicContact CD2-CG 3.99Å
495C96.7Very high96.7Very high52 Ų5241.4 Ų41.435%0.35123%0.225SC..  trans-110.6115.4177.5-161.50000109.6D492 F493 E497 L498 Y499D492-C495 WeakPolarHBondContact O-CB 3.15Å; D492-C495 PolarHBondContact O-N 3.46Å; F493-C495 PolarHBondContact O-N 3.45Å; C495-E497 VanDerWaalsContact C-N 3.28Å; C495-E497 PolarHBondContact O-N 3.21Å; C495-E497 PolarHBondContact SG-OE2 3.02Å; C495-L498 HydrophobicContact CB-CB 4.1Å; C495-L498 WeakPolarHBondContact O-CB 3.28Å; C495-L498 PolarHBondContact O-N 3.31Å; C495-Y499 WeakPolarHBondContact O-CD1 3.36Å; C495-Y499 PolarHBondContact O-N 3.42Å
496P96.6Very high96.8Very high15 Ų1541 Ų4110%0.09722%0.223CC..Hα-helixtrans-58.1-35.5-175.9-25.133.9000116.4L498 Y499 T500 T556P496-L498 VanDerWaalsContact C-N 3.27Å; P496-L498 PolarHBondContact O-N 2.97Å; P496-Y499 HydrophobicContact CB-CE1 4.35Å; P496-Y499 HydrophobicContact CB-CE2 3.94Å; P496-Y499 WeakPolarHBondContact CB-OH 3.09Å; P496-Y499 WeakPolarHBondContact CG-OH 3.4Å; P496-Y499 VanDerWaalsContact O-CD2 3.25Å; P496-Y499 WeakPolarHBondContact O-CD2 3.47Å; P496-Y499 WeakPolarHBondContact O-CE2 3.48Å; P496-T500 VanDerWaalsContact O-CB 3.23Å; P496-T500 WeakPolarHBondContact O-CB 3.48Å; P496-T500 PolarHBondContact O-N 3.37Å; P496-T500 PolarHBondContact O-OG1 2.99Å; P496-T556 HydrophobicContact CB-CG2 3.46Å; P496-T556 VanDerWaalsContact CB-CG2 3.46Å
497E95.8Very high96.9Very high112 Ų11236.9 Ų36.952%0.52320%0.195SC..Hα-helixtrans-62.5-37.9177.6-59.675.6-166.800110.8C495 T501C495-E497 VanDerWaalsContact C-N 3.28Å; C495-E497 PolarHBondContact O-N 3.21Å; C495-E497 PolarHBondContact SG-OE2 3.02Å; E497-T501 VanDerWaalsContact O-CB 3.23Å; E497-T501 WeakPolarHBondContact O-CB 3.45Å; E497-T501 PolarHBondContact O-N 2.94Å; E497-T501 PolarHBondContact O-OG1 2.93Å
498L96.6Very high96.9Very high22 Ų2237.3 Ų37.312%0.11520%0.199CC..Hα-helixtrans-66.8-52.4-177.7-174.7143.8000111.6P486 A487 D492 F493 C495 P496 T501 A502P486-L498 HydrophobicContact CG-CD1 4.19Å; A487-L498 HydrophobicContact CB-CD1 3.87Å; D492-L498 HydrophobicContact CB-CD1 4.17Å; F493-L498 HydrophobicContact CD1-CD2 3.87Å; F493-L498 HydrophobicContact CE1-CD2 4.01Å; C495-L498 HydrophobicContact CB-CB 4.1Å; C495-L498 WeakPolarHBondContact O-CB 3.28Å; C495-L498 PolarHBondContact O-N 3.31Å; P496-L498 VanDerWaalsContact C-N 3.27Å; P496-L498 PolarHBondContact O-N 2.97Å; L498-T501 PolarHBondContact O-N 3.44Å; L498-A502 WeakPolarHBondContact O-CB 3.44Å; L498-A502 PolarHBondContact O-N 2.97Å
499Y96.5Very high96.8Very high0 Ų031.4 Ų31.40%017%0.171CC..Hα-helixtrans-73.5-28.9-17953.1-116.9000112.8C495 P496 T501 A502 W503 V552 C576 D577 A580C495-Y499 WeakPolarHBondContact O-CD1 3.36Å; C495-Y499 PolarHBondContact O-N 3.42Å; P496-Y499 HydrophobicContact CB-CE1 4.35Å; P496-Y499 HydrophobicContact CB-CE2 3.94Å; P496-Y499 WeakPolarHBondContact CB-OH 3.09Å; P496-Y499 WeakPolarHBondContact CG-OH 3.4Å; P496-Y499 VanDerWaalsContact O-CD2 3.25Å; P496-Y499 WeakPolarHBondContact O-CD2 3.47Å; P496-Y499 WeakPolarHBondContact O-CE2 3.48Å; Y499-T501 VanDerWaalsContact C-N 3.34Å; Y499-A502 PolarHBondContact O-N 2.83Å; Y499-W503 VanDerWaalsContact O-CD1 3.28Å; Y499-W503 PolarHBondContact O-N 2.94Å; Y499-V552 HydrophobicContact CD2-CG1 3.37Å; Y499-V552 HydrophobicContact CE2-CG1 3.68Å; Y499-C576 PolarHBondContact OH-SG 3Å; Y499-D577 HydrophobicContact CE1-CB 4.36Å; Y499-D577 VanDerWaalsContact CE1-OD1 3.26Å; Y499-D577 WeakPolarHBondContact CE1-OD1 3.44Å; Y499-D577 PolarHBondContact OH-OD1 2.96Å; Y499-A580 HydrophobicContact CD1-CB 3.85Å; Y499-A580 HydrophobicContact CD2-CB 3.43Å; Y499-A580 VanDerWaalsContact CD2-CB 3.43Å; Y499-A580 HydrophobicContact CE1-CB 4.09Å; Y499-A580 HydrophobicContact CE2-CB 3.72Å; Y499-A580 HydrophobicContact CG-CB 3.48Å; Y499-A580 VanDerWaalsContact CG-CB 3.48Å
500T96.9Very high96.8Very high21 Ų2124.3 Ų24.313%0.12914%0.144CC..Hα-helixtrans-65.2-43.2174-60.80000110.2P496 W503 A504 Y549 K553 T556P496-T500 VanDerWaalsContact O-CB 3.23Å; P496-T500 WeakPolarHBondContact O-CB 3.48Å; P496-T500 PolarHBondContact O-N 3.37Å; P496-T500 PolarHBondContact O-OG1 2.99Å; T500-W503 PolarHBondContact O-N 3.18Å; T500-A504 WeakPolarHBondContact O-CB 3.27Å; T500-A504 PolarHBondContact O-N 3.31Å; T500-Y549 HydrophobicContact CG2-CE2 4.01Å; T500-K553 HydrophobicContact CG2-CB 4.13Å; T500-T556 PolarHBondContact OG1-OG1 3.05Å
501T96.1Very high96.8Very high56 Ų5623.2 Ų23.234%0.34414%0.136SC..Hα-helixtrans-65.7-41175.1-58.70000112L482 E497 L498 Y499 W503 A504 H505L482-T501 HydrophobicContact CD1-CG2 3.24Å; E497-T501 VanDerWaalsContact O-CB 3.23Å; E497-T501 WeakPolarHBondContact O-CB 3.45Å; E497-T501 PolarHBondContact O-N 2.94Å; E497-T501 PolarHBondContact O-OG1 2.93Å; L498-T501 PolarHBondContact O-N 3.44Å; Y499-T501 VanDerWaalsContact C-N 3.34Å; T501-W503 VanDerWaalsContact C-N 3.34Å; T501-W503 PolarHBondContact O-N 3.42Å; T501-A504 WeakPolarHBondContact O-CB 3.2Å; T501-A504 PolarHBondContact O-N 2.98Å; T501-H505 WeakPolarHBondContact O-CB 3.19Å; T501-H505 PolarHBondContact O-N 3.49Å
502A96.8Very high96.7Very high1 Ų125.6 Ų25.61%0.00814%0.137CC..Hα-helixtrans-59.9-43.317600000112.2L498 Y499 H505 V506 F591 F596L498-A502 WeakPolarHBondContact O-CB 3.44Å; L498-A502 PolarHBondContact O-N 2.97Å; Y499-A502 PolarHBondContact O-N 2.83Å; A502-H505 WeakPolarHBondContact O-CB 3.44Å; A502-H505 PolarHBondContact O-N 3.37Å; A502-V506 PolarHBondContact O-N 2.61Å; A502-V506 VanDerWaalsContact O-N 3.11Å; A502-F591 HydrophobicContact CB-CD1 4.37Å; A502-F591 HydrophobicContact CB-CE1 3.95Å; A502-F596 HydrophobicContact CB-CE1 3.57Å; A502-F596 HydrophobicContact CB-CZ 4.12Å
503W97Very high96.6Very high2 Ų226.5 Ų26.51%0.00814%0.142CC..Hα-helixtrans-69.8-36.7175.9-84.6111.1000113Y499 T500 T501 H505 V506 A507 Y548 Y549 N587 F591Y499-W503 VanDerWaalsContact O-CD1 3.28Å; Y499-W503 PolarHBondContact O-N 2.94Å; T500-W503 PolarHBondContact O-N 3.18Å; T501-W503 VanDerWaalsContact C-N 3.34Å; T501-W503 PolarHBondContact O-N 3.42Å; W503-H505 VanDerWaalsContact C-N 3.33Å; W503-V506 PolarHBondContact O-N 2.97Å; W503-A507 VanDerWaalsContact O-CB 3.26Å; W503-A507 WeakPolarHBondContact O-CB 3.3Å; W503-A507 PolarHBondContact O-N 3.41Å; W503-Y548 HydrophobicContact CE3-CG 4.45Å; W503-Y548 HydrophobicContact CH2-CD1 4.01Å; W503-Y548 AromaticContact CH2-CD2 3.88Å; W503-Y548 HydrophobicContact CH2-CD2 3.88Å; W503-Y548 HydrophobicContact CH2-CE1 4.43Å; W503-Y548 HydrophobicContact CH2-CE2 4.32Å; W503-Y548 AromaticContact CH2-CG 3.67Å; W503-Y548 HydrophobicContact CH2-CG 3.67Å; W503-Y548 AromaticContact CZ2-CD1 3.98Å; W503-Y548 HydrophobicContact CZ2-CD1 3.98Å; W503-Y548 HydrophobicContact CZ2-CE1 4.43Å; W503-Y548 HydrophobicContact CZ2-CG 4.07Å; W503-Y548 HydrophobicContact CZ3-CD2 4.06Å; W503-Y548 AromaticContact CZ3-CG 3.9Å; W503-Y548 HydrophobicContact CZ3-CG 3.9Å; W503-Y549 HydrophobicContact CB-CD2 4.25Å; W503-N587 HydrophobicContact CH2-CB 4.27Å; W503-F591 AromaticContact CD2-CZ 3.84Å; W503-F591 HydrophobicContact CD2-CZ 3.84Å; W503-F591 AromaticContact CE2-CZ 3.8Å; W503-F591 AromaticContact CE3-CZ 3.95Å; W503-F591 HydrophobicContact CE3-CZ 3.95Å; W503-F591 HydrophobicContact CG-CZ 4.46Å; W503-F591 HydrophobicContact CH2-CE2 4.15Å; W503-F591 HydrophobicContact CH2-CZ 4.05Å; W503-F591 HydrophobicContact CZ2-CE2 4.26Å; W503-F591 AromaticContact CZ2-CZ 3.93Å; W503-F591 HydrophobicContact CZ2-CZ 3.93Å; W503-F591 HydrophobicContact CZ3-CE2 4.37Å; W503-F591 HydrophobicContact CZ3-CZ 4.04Å
504A96.9Very high96.5Very high17 Ų1726.4 Ų26.414%0.1414%0.142CC..Hα-helixtrans-59.2-46173.300000111.1Y476 T500 T501 A507 A508 Y549Y476-A504 HydrophobicContact CD2-CB 4.26Å; Y476-A504 HydrophobicContact CG-CB 4.43Å; T500-A504 WeakPolarHBondContact O-CB 3.27Å; T500-A504 PolarHBondContact O-N 3.31Å; T501-A504 WeakPolarHBondContact O-CB 3.2Å; T501-A504 PolarHBondContact O-N 2.98Å; A504-A507 PolarHBondContact O-N 3.5Å; A504-A508 VanDerWaalsContact O-CB 3.3Å; A504-A508 WeakPolarHBondContact O-CB 3.2Å; A504-A508 PolarHBondContact O-N 3.17Å; A504-Y549 HydrophobicContact CB-CD2 3.79Å; A504-Y549 HydrophobicContact CB-CE2 3.55Å
505H96.4Very high96.5Very high15 Ų1523.6 Ų23.67%0.06913%0.127CC..Hα-helixtrans-57.4-54.2176.5176.379.9000111.9L482 T501 A502 W503 A507 A508 R509 D594 F596L482-H505 PolarHBondContact O-CE1 3.31Å; L482-H505 PolarHBondContact O-ND1 2.86Å; T501-H505 WeakPolarHBondContact O-CB 3.19Å; T501-H505 PolarHBondContact O-N 3.49Å; A502-H505 WeakPolarHBondContact O-CB 3.44Å; A502-H505 PolarHBondContact O-N 3.37Å; W503-H505 VanDerWaalsContact C-N 3.33Å; H505-A507 VanDerWaalsContact C-N 3.34Å; H505-A507 PolarHBondContact O-N 3.38Å; H505-A508 PolarHBondContact O-N 3.22Å; H505-R509 WeakPolarHBondContact O-CB 3.45Å; H505-R509 PolarHBondContact O-N 2.87Å; H505-D594 IonicContact CD2-OD2 3.52Å; H505-D594 IonicContact CE1-OD2 3.6Å; H505-D594 PolarHBondContact CE1-OD2 2.76Å; H505-D594 VanDerWaalsContact CE1-OD2 3.3Å; H505-D594 IonicContact NE2-OD1 3.15Å; H505-D594 IonicContact NE2-OD2 3.03Å; H505-D594 PolarHBondContact NE2-OD2 3.27Å; H505-F596 HydrophobicContact CB-CD2 4.28Å; H505-F596 HydrophobicContact CB-CE2 4.03Å; H505-F596 HydrophobicContact CB-CZ 4.29Å; H505-F596 AromaticContact CD2-CD2 3.41Å; H505-F596 VanDerWaalsContact CD2-CD2 3.41Å; H505-F596 WeakPolarHBondContact CD2-CD2 3.47Å; H505-F596 AromaticContact CD2-CG 3.43Å; H505-F596 VanDerWaalsContact CD2-CG 3.43Å; H505-F596 WeakPolarHBondContact CD2-CG 3.49Å; H505-F596 AromaticContact CE1-CD2 3.81Å; H505-F596 AromaticContact CG-CD2 3.55Å; H505-F596 AromaticContact CG-CE2 3.77Å; H505-F596 AromaticContact ND1-CD2 3.82Å; H505-F596 AromaticContact NE2-CD2 3.58Å; H505-F596 AromaticContact NE2-CG 3.72Å
506V96.5Very high96.5Very high0 Ų026.4 Ų26.40%014%0.135CC..Hα-helixtrans-61.2-43179.7167.50000111.7A502 W503 A508 R509 L510 A545 D590 F591A502-V506 PolarHBondContact O-N 2.61Å; A502-V506 VanDerWaalsContact O-N 3.11Å; W503-V506 PolarHBondContact O-N 2.97Å; V506-A508 VanDerWaalsContact C-N 3.34Å; V506-A508 PolarHBondContact O-N 3.39Å; V506-R509 PolarHBondContact O-N 3.5Å; V506-L510 HydrophobicContact CG1-CD1 3.67Å; V506-L510 HydrophobicContact CG1-CG 4.31Å; V506-L510 WeakPolarHBondContact O-CB 3.45Å; V506-L510 VanDerWaalsContact O-CG 3.31Å; V506-L510 WeakPolarHBondContact O-CG 3.41Å; V506-L510 PolarHBondContact O-N 2.96Å; V506-A545 HydrophobicContact CG1-CB 4.34Å; V506-D590 HydrophobicContact CG1-CB 3.83Å; V506-F591 HydrophobicContact CB-CE1 4.33Å; V506-F591 HydrophobicContact CB-CZ 4.49Å; V506-F591 HydrophobicContact CG2-CD1 3.43Å; V506-F591 VanDerWaalsContact CG2-CD1 3.43Å; V506-F591 HydrophobicContact CG2-CD2 4.26Å; V506-F591 HydrophobicContact CG2-CE1 3.5Å; V506-F591 HydrophobicContact CG2-CE2 4.31Å; V506-F591 HydrophobicContact CG2-CG 3.83Å; V506-F591 HydrophobicContact CG2-CZ 3.95Å
507A97.2Very high96.5Very high0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-64.2-38.9178.100000112.2Y476 W503 A504 H505 I511 A545Y476-A507 HydrophobicContact CE2-CB 3.78Å; W503-A507 VanDerWaalsContact O-CB 3.26Å; W503-A507 WeakPolarHBondContact O-CB 3.3Å; W503-A507 PolarHBondContact O-N 3.41Å; A504-A507 PolarHBondContact O-N 3.5Å; H505-A507 VanDerWaalsContact C-N 3.34Å; H505-A507 PolarHBondContact O-N 3.38Å; A507-I511 WeakPolarHBondContact O-CG2 2.93Å; A507-I511 PolarHBondContact O-N 3.47Å; A507-A545 HydrophobicContact CB-CB 4.27Å
508A96.6Very high96.5Very high11 Ų1125.8 Ų25.89%0.09113%0.131CC..Hα-helixtrans-69.5-45.1177.700000111.8Y476 L477 A504 H505 V506 I511 K512Y476-A508 HydrophobicContact CD2-CB 4.11Å; Y476-A508 HydrophobicContact CE2-CB 3.99Å; L477-A508 HydrophobicContact CD2-CB 4.24Å; A504-A508 VanDerWaalsContact O-CB 3.3Å; A504-A508 WeakPolarHBondContact O-CB 3.2Å; A504-A508 PolarHBondContact O-N 3.17Å; H505-A508 PolarHBondContact O-N 3.22Å; V506-A508 VanDerWaalsContact C-N 3.34Å; V506-A508 PolarHBondContact O-N 3.39Å; A508-I511 WeakPolarHBondContact O-CG2 3.27Å; A508-I511 PolarHBondContact O-N 3.11Å; A508-K512 WeakPolarHBondContact O-CB 3.11Å; A508-K512 PolarHBondContact O-N 3.47Å
509R95.7Very high96.5Very high21 Ų2128.7 Ų28.78%0.07914%0.144CC..Hα-helixtrans-58.8-51.3175.4-177.3-169.965.678.4-7.7111.4H505 V506 I511 K512 D513 D590 H593 D594H505-R509 WeakPolarHBondContact O-CB 3.45Å; H505-R509 PolarHBondContact O-N 2.87Å; V506-R509 PolarHBondContact O-N 3.5Å; R509-I511 VanDerWaalsContact C-N 3.33Å; R509-I511 PolarHBondContact O-N 2.87Å; R509-K512 WeakPolarHBondContact O-CB 3.34Å; R509-K512 PolarHBondContact O-N 2.93Å; R509-K512 VanDerWaalsContact O-N 3.13Å; R509-D513 IonicContact CZ-OD2 3.14Å; R509-D513 IonicContact NH1-OD2 3.92Å; R509-D513 PolarHBondContact NH1-OD2 3.17Å; R509-D513 VanDerWaalsContact O-CG 3.28Å; R509-D513 PolarHBondContact O-N 3.26Å; R509-D590 PolarHBondContact NH2-O 3.15Å; R509-D590 IonicContact NH2-OD1 2.62Å; R509-H593 PolarHBondContact NH1-ND1 3.15Å; R509-D594 WeakPolarHBondContact CD-OD2 3.49Å
510L97.1Very high96.5Very high5 Ų531.7 Ų31.73%0.02616%0.162CC..Hα-helixtrans-63.5-37.4-176.1-73.9170.7000112.5V506 S514 Q541 A542 A545V506-L510 HydrophobicContact CG1-CD1 3.67Å; V506-L510 HydrophobicContact CG1-CG 4.31Å; V506-L510 WeakPolarHBondContact O-CB 3.45Å; V506-L510 VanDerWaalsContact O-CG 3.31Å; V506-L510 WeakPolarHBondContact O-CG 3.41Å; V506-L510 PolarHBondContact O-N 2.96Å; L510-S514 WeakPolarHBondContact O-CB 3.32Å; L510-S514 PolarHBondContact O-N 3.11Å; L510-Q541 HydrophobicContact CD1-CG 4.09Å; L510-Q541 HydrophobicContact CD2-CG 4.23Å; L510-A542 HydrophobicContact CB-CB 4.07Å; L510-A545 HydrophobicContact CD1-CB 3.54Å
511I97.2Very high96.5Very high1 Ų132.5 Ų32.51%0.00517%0.166CC..Hα-helixtrans-70.5-36.9174.7-170.360.8000112L451 V452 Y455 L477 A507 A508 R509 S514 V515 A542L451-I511 HydrophobicContact CB-CD1 3.6Å; L451-I511 HydrophobicContact CB-CG1 3.95Å; V452-I511 HydrophobicContact CG2-CD1 3.84Å; Y455-I511 HydrophobicContact CD2-CG2 4.11Å; Y455-I511 HydrophobicContact CG-CG1 4.47Å; L477-I511 HydrophobicContact CD2-CG2 3.67Å; A507-I511 WeakPolarHBondContact O-CG2 2.93Å; A507-I511 PolarHBondContact O-N 3.47Å; A508-I511 WeakPolarHBondContact O-CG2 3.27Å; A508-I511 PolarHBondContact O-N 3.11Å; R509-I511 VanDerWaalsContact C-N 3.33Å; R509-I511 PolarHBondContact O-N 2.87Å; I511-S514 WeakPolarHBondContact O-CB 3.34Å; I511-S514 PolarHBondContact O-N 3.02Å; I511-V515 HydrophobicContact CD1-CG2 4.35Å; I511-V515 HydrophobicContact CG1-CG2 4.41Å; I511-V515 WeakPolarHBondContact O-CG2 3.43Å; I511-V515 PolarHBondContact O-N 3.19Å; I511-A542 HydrophobicContact CB-CB 4.23Å; I511-A542 HydrophobicContact CD1-CB 4.17Å
512K95.5Very high96.4Very high95 Ų9533.1 Ų33.141%0.41317%0.169SC..Hα-helixtrans-60.9-49.2174.2169.3173.6179.7-1750111.5Y455 A508 R509 S514 V515 H516Y455-K512 HydrophobicContact CE2-CB 3.93Å; Y455-K512 VanDerWaalsContact OH-CG 3.31Å; Y455-K512 WeakPolarHBondContact OH-CG 3.49Å; A508-K512 WeakPolarHBondContact O-CB 3.11Å; A508-K512 PolarHBondContact O-N 3.47Å; R509-K512 WeakPolarHBondContact O-CB 3.34Å; R509-K512 PolarHBondContact O-N 2.93Å; R509-K512 VanDerWaalsContact O-N 3.13Å; K512-S514 VanDerWaalsContact C-N 3.3Å; K512-S514 PolarHBondContact O-N 3.07Å; K512-V515 PolarHBondContact O-N 3.14Å; K512-H516 WeakPolarHBondContact O-CB 3.5Å; K512-H516 PolarHBondContact O-N 3.2Å
513D95Very high96.3Very high48 Ų4840.7 Ų40.726%0.25720%0.204SC..Hα-helixtrans-58.8-46.6176.2-65.8-16.5000109.9R509 V515 H516 H517R509-D513 IonicContact CZ-OD2 3.14Å; R509-D513 IonicContact NH1-OD2 3.92Å; R509-D513 PolarHBondContact NH1-OD2 3.17Å; R509-D513 VanDerWaalsContact O-CG 3.28Å; R509-D513 PolarHBondContact O-N 3.26Å; D513-V515 PolarHBondContact O-N 3.09Å; D513-H516 WeakPolarHBondContact O-CB 3.3Å; D513-H516 PolarHBondContact O-N 2.91Å; D513-H517 PolarHBondContact O-CD2 2.69Å; D513-H517 PolarHBondContact O-N 3.14Å
514S96.4Very high96.3Very high0 Ų044.8 Ų44.80%023%0.234CC..Hα-helixtrans-58.2-44.5178.3-171.40000113.5L510 I511 K512 L518 H539L510-S514 WeakPolarHBondContact O-CB 3.32Å; L510-S514 PolarHBondContact O-N 3.11Å; I511-S514 WeakPolarHBondContact O-CB 3.34Å; I511-S514 PolarHBondContact O-N 3.02Å; K512-S514 VanDerWaalsContact C-N 3.3Å; K512-S514 PolarHBondContact O-N 3.07Å; S514-L518 PolarHBondContact O-N 3.3Å; S514-H539 PolarHBondContact OG-CE1 3.26Å; S514-H539 VanDerWaalsContact OG-CE1 3.24Å; S514-H539 PolarHBondContact OG-N 3.27Å; S514-H539 PolarHBondContact OG-ND1 2.94Å
515V96.8Very high96.2Very high1 Ų147.2 Ų47.21%0.00626%0.26CS..Hα-helixtrans-69.9-38176.6170.80000111.4V452 Y455 L456 I511 K512 D513 L518 Q519V452-V515 HydrophobicContact CB-CG2 4.25Å; V452-V515 HydrophobicContact CG1-CG2 4.07Å; V452-V515 HydrophobicContact CG2-CG2 3.94Å; Y455-V515 HydrophobicContact CD1-CB 3.87Å; Y455-V515 HydrophobicContact CD1-CG1 3.89Å; Y455-V515 HydrophobicContact CD1-CG2 3.74Å; Y455-V515 HydrophobicContact CE1-CB 4.05Å; Y455-V515 HydrophobicContact CE1-CG1 4Å; Y455-V515 HydrophobicContact CE1-CG2 4.41Å; Y455-V515 HydrophobicContact CG-CG2 4.41Å; L456-V515 HydrophobicContact CD2-CG1 3.74Å; L456-V515 HydrophobicContact CG-CG1 4.34Å; I511-V515 HydrophobicContact CD1-CG2 4.35Å; I511-V515 HydrophobicContact CG1-CG2 4.41Å; I511-V515 WeakPolarHBondContact O-CG2 3.43Å; I511-V515 PolarHBondContact O-N 3.19Å; K512-V515 PolarHBondContact O-N 3.14Å; D513-V515 PolarHBondContact O-N 3.09Å; V515-L518 PolarHBondContact O-N 3.44Å; V515-Q519 HydrophobicContact CG1-CG 4.3Å; V515-Q519 WeakPolarHBondContact O-CG 3.49Å; V515-Q519 PolarHBondContact O-N 3.46Å
516H96.2Very high96.1Very high111 Ų11147.7 Ų47.751%0.51427%0.267SS..Hα-helixtrans-60-49.6176.4-178.364.9000111.4K512 D513 L518 Q519 T520K512-H516 WeakPolarHBondContact O-CB 3.5Å; K512-H516 PolarHBondContact O-N 3.2Å; D513-H516 WeakPolarHBondContact O-CB 3.3Å; D513-H516 PolarHBondContact O-N 2.91Å; H516-L518 VanDerWaalsContact C-N 3.31Å; H516-L518 PolarHBondContact O-N 3.34Å; H516-Q519 PolarHBondContact O-N 3.31Å; H516-Q519 VanDerWaalsContact O-N 3.14Å; H516-T520 PolarHBondContact O-N 3.45Å; H516-T520 PolarHBondContact O-OG1 3.11Å; H516-T520 VanDerWaalsContact O-OG1 3.06Å
517H96.6Very high96.1Very high92 Ų9252.4 Ų52.443%0.42629%0.292SS..Hα-helixtrans-57.8-42.7176.1-81.7-79.7000112.6D513 Q519 T520 L521 T535 I538D513-H517 PolarHBondContact O-CD2 2.69Å; D513-H517 PolarHBondContact O-N 3.14Å; H517-Q519 VanDerWaalsContact C-N 3.35Å; H517-Q519 PolarHBondContact O-N 3.35Å; H517-T520 PolarHBondContact O-N 2.76Å; H517-L521 WeakPolarHBondContact O-CG 3.35Å; H517-L521 PolarHBondContact O-N 3.39Å; H517-L521 VanDerWaalsContact O-N 3.07Å; H517-T535 HydrophobicContact CB-CG2 4.07Å; H517-I538 HydrophobicContact CB-CD1 4.21Å
518L96.7Very high95.9Very high23 Ų2359.4 Ų59.412%0.1233%0.325CS..Hα-helixtrans-61.3-43.4176.5178.863.9000111.7V452 S514 V515 H516 T522 A531 W532 T535V452-L518 HydrophobicContact CG1-CD2 4.3Å; S514-L518 PolarHBondContact O-N 3.3Å; V515-L518 PolarHBondContact O-N 3.44Å; H516-L518 VanDerWaalsContact C-N 3.31Å; H516-L518 PolarHBondContact O-N 3.34Å; L518-T522 WeakPolarHBondContact O-CB 3.47Å; L518-T522 PolarHBondContact O-N 3.29Å; L518-T522 VanDerWaalsContact O-N 3.09Å; L518-T522 PolarHBondContact O-OG1 3.22Å; L518-A531 HydrophobicContact CD1-CB 3.97Å; L518-W532 HydrophobicContact CD2-CE3 4.22Å; L518-W532 HydrophobicContact CD2-CZ3 4.43Å; L518-T535 HydrophobicContact CB-CG2 4.31Å
519Q95.6Very high95.8Very high82 Ų8266 Ų6638%0.38335%0.354SS..Hα-helixtrans-66.7-42.1177.5-73.3175.2-20.500112V515 H516 H517 L521 T522 Q523V515-Q519 HydrophobicContact CG1-CG 4.3Å; V515-Q519 WeakPolarHBondContact O-CG 3.49Å; V515-Q519 PolarHBondContact O-N 3.46Å; H516-Q519 PolarHBondContact O-N 3.31Å; H516-Q519 VanDerWaalsContact O-N 3.14Å; H517-Q519 VanDerWaalsContact C-N 3.35Å; H517-Q519 PolarHBondContact O-N 3.35Å; Q519-L521 PolarHBondContact O-N 2.97Å; Q519-T522 PolarHBondContact O-N 2.98Å; Q519-Q523 WeakPolarHBondContact O-CB 3.42Å; Q519-Q523 WeakPolarHBondContact O-CG 3.4Å; Q519-Q523 PolarHBondContact O-N 3.48Å
520T97Very high95.8Very high63 Ų6369.2 Ų69.239%0.38737%0.369SS..Hα-helixtrans-59.5-46.3176.8-59.40000111.6H516 H517 Q523 S524H516-T520 PolarHBondContact O-N 3.45Å; H516-T520 PolarHBondContact O-OG1 3.11Å; H516-T520 VanDerWaalsContact O-OG1 3.06Å; H517-T520 PolarHBondContact O-N 2.76Å; T520-Q523 PolarHBondContact O-N 3.03Å; T520-S524 WeakPolarHBondContact O-CB 3.39Å; T520-S524 PolarHBondContact O-N 3.16Å
521L96.6Very high95.8Very high39 Ų3969 Ų6920%0.20437%0.368CS..Hα-helixtrans-62.6-45.2177.1-73.1171.7000111.6H517 Q519 Q523 S524 G525 A526 A531 Q534 T535H517-L521 WeakPolarHBondContact O-CG 3.35Å; H517-L521 PolarHBondContact O-N 3.39Å; H517-L521 VanDerWaalsContact O-N 3.07Å; Q519-L521 PolarHBondContact O-N 2.97Å; L521-Q523 VanDerWaalsContact C-N 3.31Å; L521-Q523 PolarHBondContact O-N 3.15Å; L521-S524 WeakPolarHBondContact CA-OG 3.49Å; L521-S524 PolarHBondContact O-N 2.64Å; L521-S524 VanDerWaalsContact O-N 3.11Å; L521-S524 PolarHBondContact O-OG 2.94Å; L521-G525 PolarHBondContact O-N 3.4Å; L521-A526 HydrophobicContact CB-CB 4.34Å; L521-A526 WeakPolarHBondContact O-CB 3.3Å; L521-A526 PolarHBondContact O-N 2.84Å; L521-A531 HydrophobicContact CB-CB 3.86Å; L521-Q534 HydrophobicContact CD1-CB 3.84Å; L521-T535 HydrophobicContact CD1-CG2 3.71Å
522T94.8Very high95.7Very high68 Ų6871.1 Ų71.142%0.41738%0.376SS..Hα-helixtrans-60.5-42.2177.4-52.60000111.3L518 Q519 S524 G525L518-T522 WeakPolarHBondContact O-CB 3.47Å; L518-T522 PolarHBondContact O-N 3.29Å; L518-T522 VanDerWaalsContact O-N 3.09Å; L518-T522 PolarHBondContact O-OG1 3.22Å; Q519-T522 PolarHBondContact O-N 2.98Å; T522-S524 VanDerWaalsContact C-N 3.3Å; T522-S524 PolarHBondContact O-N 2.78Å; T522-G525 PolarHBondContact O-N 3.07Å
523Q95.4Very high95.8Very high160 Ų16071 Ų7175%0.74838%0.38SS*.Hα-helixtrans-67.9-28.4176.6-72.6168.86.400113Q519 T520 L521 G525Q519-Q523 WeakPolarHBondContact O-CB 3.42Å; Q519-Q523 WeakPolarHBondContact O-CG 3.4Å; Q519-Q523 PolarHBondContact O-N 3.48Å; T520-Q523 PolarHBondContact O-N 3.03Å; L521-Q523 VanDerWaalsContact C-N 3.31Å; L521-Q523 PolarHBondContact O-N 3.15Å; Q523-G525 PolarHBondContact O-N 3.06Å
524S95.5Very high95.9Very high89 Ų8973.6 Ų73.662%0.62239%0.391SS*.THydrogen-bonded Turntrans-76.2-0.8174.274.80000114.1T520 L521 T522T520-S524 WeakPolarHBondContact O-CB 3.39Å; T520-S524 PolarHBondContact O-N 3.16Å; L521-S524 WeakPolarHBondContact CA-OG 3.49Å; L521-S524 PolarHBondContact O-N 2.64Å; L521-S524 VanDerWaalsContact O-N 3.11Å; L521-S524 PolarHBondContact O-OG 2.94Å; T522-S524 VanDerWaalsContact C-N 3.3Å; T522-S524 PolarHBondContact O-N 2.78Å
525G95.3Very high95.9Very high68 Ų6873.7 Ų73.770%0.70139%0.391SS*.THydrogen-bonded Turntrans94.7817700000114.9L521 T522 Q523L521-G525 PolarHBondContact O-N 3.4Å; T522-G525 PolarHBondContact O-N 3.07Å; Q523-G525 PolarHBondContact O-N 3.06Å
526A95.1Very high95.8Very high25 Ų2575.2 Ų75.221%0.20740%0.401CS..  trans-66.7139.9172.500000110.7L521 A531L521-A526 HydrophobicContact CB-CB 4.34Å; L521-A526 WeakPolarHBondContact O-CB 3.3Å; L521-A526 PolarHBondContact O-N 2.84Å; A526-A531 HydrophobicContact CB-CB 4.19Å
527D96.3Very high95.9Very high99 Ų9975.2 Ų75.253%0.52941%0.408SS..  trans-59.2148.2170.2174.769.3000110.8H529 E530 A531D527-H529 VanDerWaalsContact C-N 3.29Å; D527-H529 PolarHBondContact O-N 3.03Å; D527-H529 VanDerWaalsContact OD2-CB 3.32Å; D527-H529 WeakPolarHBondContact OD2-CB 3.33Å; D527-H529 IonicContact OD2-CD2 3.24Å; D527-H529 IonicContact OD2-CG 3.6Å; D527-H529 PolarHBondContact OD2-N 2.63Å; D527-E530 HydrophobicContact CB-CB 4.37Å; D527-E530 PolarHBondContact O-N 3.44Å; D527-E530 VanDerWaalsContact O-N 3.17Å; D527-A531 WeakPolarHBondContact O-CB 3.17Å; D527-A531 PolarHBondContact O-N 2.93Å
528Q92.8Very high95.9Very high146 Ų14673 Ų7368%0.68240%0.399SS*.Hα-helixtrans-59.6-37.5-175.1-173.4-179.5-1.400112.9W532Q528-W532 WeakPolarHBondContact O-CB 3.37Å; Q528-W532 PolarHBondContact O-N 3Å
529H94.1Very high95.9Very high151 Ų15171.9 Ų71.970%0.69939%0.393SS*.Hα-helixtrans-71.8-38.8179.7-65.4-73.3000111.5D527 N533D527-H529 VanDerWaalsContact C-N 3.29Å; D527-H529 PolarHBondContact O-N 3.03Å; D527-H529 VanDerWaalsContact OD2-CB 3.32Å; D527-H529 WeakPolarHBondContact OD2-CB 3.33Å; D527-H529 IonicContact OD2-CD2 3.24Å; D527-H529 IonicContact OD2-CG 3.6Å; D527-H529 PolarHBondContact OD2-N 2.63Å; H529-N533 WeakPolarHBondContact O-CB 3.23Å; H529-N533 PolarHBondContact O-N 3.5Å
530E96Very high96Very high87 Ų8769.8 Ų69.841%0.40738%0.384SS..Hα-helixtrans-69.9-44.6177.2-176.956.1-161.100111.4D527 W532 N533 Q534D527-E530 HydrophobicContact CB-CB 4.37Å; D527-E530 PolarHBondContact O-N 3.44Å; D527-E530 VanDerWaalsContact O-N 3.17Å; E530-W532 VanDerWaalsContact C-N 3.31Å; E530-W532 PolarHBondContact O-N 2.93Å; E530-N533 WeakPolarHBondContact O-CB 3.49Å; E530-N533 PolarHBondContact O-N 2.89Å; E530-N533 VanDerWaalsContact O-N 3.13Å; E530-Q534 WeakPolarHBondContact O-CG 3.44Å; E530-Q534 PolarHBondContact O-N 3.5Å; E530-Q534 PolarHBondContact OE1-NE2 3.17Å
531A96.6Very high96Very high0 Ų070.4 Ų70.40%038%0.383CS..Hα-helixtrans-57.4-45.2174.100000111.2L518 L521 A526 D527 N533 Q534 T535L518-A531 HydrophobicContact CD1-CB 3.97Å; L521-A531 HydrophobicContact CB-CB 3.86Å; A526-A531 HydrophobicContact CB-CB 4.19Å; D527-A531 WeakPolarHBondContact O-CB 3.17Å; D527-A531 PolarHBondContact O-N 2.93Å; A531-N533 PolarHBondContact O-N 2.94Å; A531-Q534 PolarHBondContact O-N 3.34Å; A531-T535 PolarHBondContact O-N 3.38Å; A531-T535 PolarHBondContact O-OG1 2.67Å
532W95.9Very high96.1Very high47 Ų4768.5 Ų68.518%0.17837%0.373CS..Hα-helixtrans-59.8-45.2174.6179.1-86.6000112.3R449 V452 L518 Q528 E530 T535 T536 H539R449-W532 HydrophobicContact CB-CH2 4.19Å; R449-W532 HydrophobicContact CG-CH2 3.34Å; R449-W532 HydrophobicContact CG-CZ2 3.36Å; R449-W532 HydrophobicContact CG-CZ3 4.27Å; V452-W532 HydrophobicContact CG2-CH2 4.41Å; V452-W532 HydrophobicContact CG2-CZ3 4.19Å; L518-W532 HydrophobicContact CD2-CE3 4.22Å; L518-W532 HydrophobicContact CD2-CZ3 4.43Å; Q528-W532 WeakPolarHBondContact O-CB 3.37Å; Q528-W532 PolarHBondContact O-N 3Å; E530-W532 VanDerWaalsContact C-N 3.31Å; E530-W532 PolarHBondContact O-N 2.93Å; W532-T535 PolarHBondContact O-N 3.23Å; W532-T535 PolarHBondContact O-OG1 2.85Å; W532-T535 VanDerWaalsContact O-OG1 3.08Å; W532-T536 WeakPolarHBondContact O-CG2 3.34Å; W532-T536 PolarHBondContact O-N 3.3Å; W532-H539 AromaticContact CD2-NE2 3.98Å; W532-H539 AromaticContact CE3-NE2 3.55Å; W532-H539 AromaticContact CH2-CD2 3.86Å; W532-H539 AromaticContact CH2-NE2 3.92Å; W532-H539 AromaticContact CZ2-CD2 3.91Å; W532-H539 AromaticContact CZ3-CD2 3.95Å; W532-H539 AromaticContact CZ3-CE1 3.92Å; W532-H539 AromaticContact CZ3-NE2 3.52Å
533N96.9Very high96.2Very high93 Ų9365.3 Ų65.350%0.49735%0.353SS..Hα-helixtrans-61-46.1179.7-174.145.7000111.3H529 E530 A531 T535 T536H529-N533 WeakPolarHBondContact O-CB 3.23Å; H529-N533 PolarHBondContact O-N 3.5Å; E530-N533 WeakPolarHBondContact O-CB 3.49Å; E530-N533 PolarHBondContact O-N 2.89Å; E530-N533 VanDerWaalsContact O-N 3.13Å; A531-N533 PolarHBondContact O-N 2.94Å; N533-T535 PolarHBondContact O-N 2.85Å; N533-T536 WeakPolarHBondContact O-CB 3.34Å; N533-T536 WeakPolarHBondContact O-CG2 3.49Å; N533-T536 PolarHBondContact O-N 3.06Å; N533-T536 PolarHBondContact O-OG1 3.26Å
534Q96.4Very high96.4Very high102 Ų10260.5 Ų60.548%0.47733%0.33SS..Hα-helixtrans-65.3-19.8178.7-69.4-177.720.700113.6L521 E530 A531L521-Q534 HydrophobicContact CD1-CB 3.84Å; E530-Q534 WeakPolarHBondContact O-CG 3.44Å; E530-Q534 PolarHBondContact O-N 3.5Å; E530-Q534 PolarHBondContact OE1-NE2 3.17Å; A531-Q534 PolarHBondContact O-N 3.34Å
535T96.7Very high96.5Very high2 Ų256.5 Ų56.51%0.01230%0.302CS..Hα-helixtrans-102.10.8176.954.10000114.3H517 L518 L521 A531 W532 N533 V537 I538 H539H517-T535 HydrophobicContact CB-CG2 4.07Å; L518-T535 HydrophobicContact CB-CG2 4.31Å; L521-T535 HydrophobicContact CD1-CG2 3.71Å; A531-T535 PolarHBondContact O-N 3.38Å; A531-T535 PolarHBondContact O-OG1 2.67Å; W532-T535 PolarHBondContact O-N 3.23Å; W532-T535 PolarHBondContact O-OG1 2.85Å; W532-T535 VanDerWaalsContact O-OG1 3.08Å; N533-T535 PolarHBondContact O-N 2.85Å; T535-V537 VanDerWaalsContact C-N 3.27Å; T535-V537 PolarHBondContact O-N 3.22Å; T535-I538 PolarHBondContact O-N 2.87Å; T535-H539 PolarHBondContact O-CD2 3.24Å; T535-H539 VanDerWaalsContact O-CD2 3.27Å; T535-H539 PolarHBondContact O-N 3.11Å; T535-H539 PolarHBondContact OG1-CD2 2.95Å; T535-H539 VanDerWaalsContact OG1-CD2 3.28Å; T535-H539 PolarHBondContact OG1-NE2 3.41Å
536T96.1Very high96.7Very high33 Ų3353.3 Ų53.320%0.20227%0.269CS..Hα-helixtrans-55.2-36.5-176.448.50000114.1L445 W532 N533 H539 L540L445-T536 HydrophobicContact CD1-CG2 4.36Å; L445-T536 HydrophobicContact CD2-CG2 4.08Å; W532-T536 WeakPolarHBondContact O-CG2 3.34Å; W532-T536 PolarHBondContact O-N 3.3Å; N533-T536 WeakPolarHBondContact O-CB 3.34Å; N533-T536 WeakPolarHBondContact O-CG2 3.49Å; N533-T536 PolarHBondContact O-N 3.06Å; N533-T536 PolarHBondContact O-OG1 3.26Å; T536-H539 WeakPolarHBondContact O-CB 3.41Å; T536-H539 PolarHBondContact O-N 2.82Å; T536-L540 WeakPolarHBondContact O-CB 3.45Å; T536-L540 PolarHBondContact O-N 2.78Å
537V97.1Very high96.8Very high110 Ų11052.1 Ų52.167%0.66726%0.259SS*.Hα-helixtrans-66.4-41.4178.8178.20000111.4T535 L540 Q541T535-V537 VanDerWaalsContact C-N 3.27Å; T535-V537 PolarHBondContact O-N 3.22Å; V537-L540 WeakPolarHBondContact O-CB 3.07Å; V537-L540 PolarHBondContact O-N 2.81Å; V537-Q541 PolarHBondContact O-N 2.75Å; V537-Q541 VanDerWaalsContact O-N 3.16Å
538I96.3Very high96.9Very high45 Ų4548.5 Ų48.523%0.23124%0.238CC..Hα-helixtrans-73.1-38.9178.9-49.5175.8000110H517 T535 L540 Q541 A542H517-I538 HydrophobicContact CB-CD1 4.21Å; T535-I538 PolarHBondContact O-N 2.87Å; I538-L540 VanDerWaalsContact C-N 3.28Å; I538-L540 PolarHBondContact O-N 2.86Å; I538-Q541 PolarHBondContact O-N 3.22Å; I538-A542 PolarHBondContact O-N 2.8Å
539H97.2Very high97.2Very high0 Ų042.4 Ų42.40%021%0.209CC..Hα-helixtrans-55.9-43.4170.6-75.5-33.8000111.9L445 A448 S514 W532 T535 T536 A542 A543L445-H539 HydrophobicContact CD2-CB 4.26Å; A448-H539 HydrophobicContact CB-CB 3.68Å; S514-H539 PolarHBondContact OG-CE1 3.26Å; S514-H539 VanDerWaalsContact OG-CE1 3.24Å; S514-H539 PolarHBondContact OG-N 3.27Å; S514-H539 PolarHBondContact OG-ND1 2.94Å; W532-H539 AromaticContact CD2-NE2 3.98Å; W532-H539 AromaticContact CE3-NE2 3.55Å; W532-H539 AromaticContact CH2-CD2 3.86Å; W532-H539 AromaticContact CH2-NE2 3.92Å; W532-H539 AromaticContact CZ2-CD2 3.91Å; W532-H539 AromaticContact CZ3-CD2 3.95Å; W532-H539 AromaticContact CZ3-CE1 3.92Å; W532-H539 AromaticContact CZ3-NE2 3.52Å; T535-H539 PolarHBondContact O-CD2 3.24Å; T535-H539 VanDerWaalsContact O-CD2 3.27Å; T535-H539 PolarHBondContact O-N 3.11Å; T535-H539 PolarHBondContact OG1-CD2 2.95Å; T535-H539 VanDerWaalsContact OG1-CD2 3.28Å; T535-H539 PolarHBondContact OG1-NE2 3.41Å; T536-H539 WeakPolarHBondContact O-CB 3.41Å; T536-H539 PolarHBondContact O-N 2.82Å; H539-A542 PolarHBondContact O-N 2.89Å; H539-A543 WeakPolarHBondContact O-CB 3.45Å; H539-A543 PolarHBondContact O-N 3.36Å
540L97.4Very high97.4Very high38 Ų3836 Ų3620%0.19918%0.181CC..Hα-helixtrans-62.3-44.6178.3-169.576.4000111.5T441 Y444 T536 V537 I538 A543 K544T441-L540 HydrophobicContact CG2-CD1 4.22Å; Y444-L540 HydrophobicContact CD2-CD1 4.01Å; Y444-L540 HydrophobicContact CG-CD1 4.01Å; T536-L540 WeakPolarHBondContact O-CB 3.45Å; T536-L540 PolarHBondContact O-N 2.78Å; V537-L540 WeakPolarHBondContact O-CB 3.07Å; V537-L540 PolarHBondContact O-N 2.81Å; I538-L540 VanDerWaalsContact C-N 3.28Å; I538-L540 PolarHBondContact O-N 2.86Å; L540-A543 PolarHBondContact O-N 3.14Å; L540-K544 WeakPolarHBondContact O-CG 3.44Å; L540-K544 PolarHBondContact O-N 3.01Å
541Q97.3Very high97.5Very high76 Ų7631.9 Ų31.936%0.35516%0.161SC..Hα-helixtrans-61.9-45.3178.4-167.8179.40.600111.7L510 V537 I538 A543 K544 A545 D590L510-Q541 HydrophobicContact CD1-CG 4.09Å; L510-Q541 HydrophobicContact CD2-CG 4.23Å; V537-Q541 PolarHBondContact O-N 2.75Å; V537-Q541 VanDerWaalsContact O-N 3.16Å; I538-Q541 PolarHBondContact O-N 3.22Å; Q541-A543 PolarHBondContact O-N 2.96Å; Q541-K544 PolarHBondContact O-N 3.35Å; Q541-A545 PolarHBondContact O-N 3.2Å; Q541-D590 PolarHBondContact NE2-OD1 3.42Å; Q541-D590 PolarHBondContact NE2-OD2 2.83Å
542A98.1Very high97.6Very high0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-61.1-41.9175.500000112.4L510 I511 I538 H539 A545 H546L510-A542 HydrophobicContact CB-CB 4.07Å; I511-A542 HydrophobicContact CB-CB 4.23Å; I511-A542 HydrophobicContact CD1-CB 4.17Å; I538-A542 PolarHBondContact O-N 2.8Å; H539-A542 PolarHBondContact O-N 2.89Å; A542-A545 PolarHBondContact O-N 3.17Å; A542-H546 WeakPolarHBondContact O-CB 3.36Å; A542-H546 PolarHBondContact O-N 3.38Å
543A98.4Very high97.6Very high0 Ų032.3 Ų32.30%017%0.165CC..Hα-helixtrans-63.4-42.1176.400000112.8Y444 V447 A448 L451 H539 L540 Q541 H546 C547Y444-A543 HydrophobicContact CD1-CB 4.28Å; Y444-A543 VanDerWaalsContact O-CB 3.27Å; Y444-A543 WeakPolarHBondContact O-CB 3.19Å; V447-A543 HydrophobicContact CB-CB 4.02Å; V447-A543 HydrophobicContact CG1-CB 4.02Å; A448-A543 HydrophobicContact CB-CB 4.24Å; L451-A543 HydrophobicContact CD1-CB 4.46Å; H539-A543 WeakPolarHBondContact O-CB 3.45Å; H539-A543 PolarHBondContact O-N 3.36Å; L540-A543 PolarHBondContact O-N 3.14Å; Q541-A543 PolarHBondContact O-N 2.96Å; A543-H546 PolarHBondContact O-N 3.32Å; A543-C547 PolarHBondContact O-N 3.19Å; A543-C547 VanDerWaalsContact O-N 3.08Å; A543-C547 PolarHBondContact O-SG 3.27Å
544K98.3Very high97.7Very high60 Ų6028.4 Ų28.426%0.26115%0.146SC..Hα-helixtrans-64-45.2175.7-71.6-166.5-179.7-146.60111.4E399 Y444 L540 Q541 H546 C547 Y548E399-K544 IonicContact OE1-NZ 2.67Å; E399-K544 PolarHBondContact OE1-NZ 3.31Å; E399-K544 IonicContact OE2-NZ 2.86Å; E399-K544 PolarHBondContact OE2-NZ 3.39Å; Y444-K544 HydrophobicContact CD1-CG 4.11Å; Y444-K544 HydrophobicContact CD2-CG 4.31Å; Y444-K544 HydrophobicContact CE1-CG 3.88Å; Y444-K544 HydrophobicContact CE2-CD 4.35Å; Y444-K544 HydrophobicContact CE2-CG 4.07Å; Y444-K544 HydrophobicContact CG-CG 4.32Å; L540-K544 WeakPolarHBondContact O-CG 3.44Å; L540-K544 PolarHBondContact O-N 3.01Å; Q541-K544 PolarHBondContact O-N 3.35Å; K544-H546 VanDerWaalsContact C-N 3.34Å; K544-H546 PolarHBondContact O-N 3.32Å; K544-C547 PolarHBondContact O-N 3.18Å; K544-Y548 WeakPolarHBondContact O-CD2 3.48Å; K544-Y548 PolarHBondContact O-N 3.25Å
545A98.2Very high97.8Very high5 Ų523.6 Ų23.64%0.04112%0.124CC..Hα-helixtrans-61.3-40.7177.300000112.6V506 A507 L510 Q541 A542 C547 Y548 Y549V506-A545 HydrophobicContact CG1-CB 4.34Å; A507-A545 HydrophobicContact CB-CB 4.27Å; L510-A545 HydrophobicContact CD1-CB 3.54Å; Q541-A545 PolarHBondContact O-N 3.2Å; A542-A545 PolarHBondContact O-N 3.17Å; A545-C547 PolarHBondContact O-N 3.36Å; A545-Y548 WeakPolarHBondContact O-CB 3.42Å; A545-Y548 PolarHBondContact O-N 3.06Å; A545-Y549 PolarHBondContact O-N 3.39Å
546H98.6Very high97.8Very high1 Ų124 Ų241%0.00513%0.127CC..Hα-helixtrans-59.7-45.2172.6173.574.8000112.4L451 S473 Y476 A542 A543 K544 Y548 Y549 V550L451-H546 HydrophobicContact CD1-CB 3.63Å; L451-H546 HydrophobicContact CD2-CB 4.2Å; S473-H546 PolarHBondContact O-CE1 3.36Å; S473-H546 VanDerWaalsContact O-CE1 3.3Å; Y476-H546 AromaticContact CE1-ND1 3.59Å; Y476-H546 AromaticContact CZ-ND1 3.77Å; Y476-H546 PolarHBondContact OH-ND1 2.86Å; Y476-H546 VanDerWaalsContact OH-ND1 3.08Å; A542-H546 WeakPolarHBondContact O-CB 3.36Å; A542-H546 PolarHBondContact O-N 3.38Å; A543-H546 PolarHBondContact O-N 3.32Å; K544-H546 VanDerWaalsContact C-N 3.34Å; K544-H546 PolarHBondContact O-N 3.32Å; H546-Y548 VanDerWaalsContact C-N 3.29Å; H546-Y548 PolarHBondContact O-N 2.83Å; H546-Y549 WeakPolarHBondContact O-CB 3.21Å; H546-Y549 PolarHBondContact O-N 3.49Å; H546-V550 WeakPolarHBondContact O-CG2 3.36Å; H546-V550 PolarHBondContact O-N 3Å
547C98.4Very high97.8Very high0 Ų025.7 Ų25.70%013%0.132CC..Hα-helixtrans-64.1-35.1178.3-63.90000112.2G392 M393 M396 A543 K544 A545 V550 T551G392-C547 VanDerWaalsContact CA-SG 3.56Å; M393-C547 HydrophobicContact CE-CB 4.44Å; M396-C547 HydrophobicContact CB-CB 4.43Å; M396-C547 HydrophobicContact CE-CB 3.38Å; M396-C547 HydrophobicContact SD-CB 3.68Å; A543-C547 PolarHBondContact O-N 3.19Å; A543-C547 VanDerWaalsContact O-N 3.08Å; A543-C547 PolarHBondContact O-SG 3.27Å; K544-C547 PolarHBondContact O-N 3.18Å; A545-C547 PolarHBondContact O-N 3.36Å; C547-V550 PolarHBondContact O-N 3.5Å; C547-T551 WeakPolarHBondContact O-CB 3.44Å; C547-T551 PolarHBondContact O-N 3.47Å; C547-T551 PolarHBondContact O-OG1 2.98Å
548Y98.1Very high97.8Very high22 Ų2220.9 Ų20.99%0.08610%0.104CC..Hα-helixtrans-64.5-47.9173.3-91.1-72.5000111.4M396 F400 W503 K544 A545 H546 V550 T551 V552 N587M396-Y548 HydrophobicContact CE-CD1 4.29Å; M396-Y548 HydrophobicContact CE-CD2 3.59Å; M396-Y548 HydrophobicContact CE-CE2 4Å; M396-Y548 HydrophobicContact CE-CG 3.79Å; F400-Y548 HydrophobicContact CE1-CE1 4.06Å; F400-Y548 AromaticContact CE1-CZ 3.82Å; F400-Y548 WeakPolarHBondContact CE1-OH 3.5Å; F400-Y548 HydrophobicContact CZ-CE1 4.01Å; F400-Y548 AromaticContact CZ-CE2 3.99Å; F400-Y548 HydrophobicContact CZ-CE2 3.99Å; F400-Y548 AromaticContact CZ-CZ 3.41Å; F400-Y548 VanDerWaalsContact CZ-CZ 3.41Å; F400-Y548 WeakPolarHBondContact CZ-OH 3.41Å; W503-Y548 HydrophobicContact CE3-CG 4.45Å; W503-Y548 HydrophobicContact CH2-CD1 4.01Å; W503-Y548 AromaticContact CH2-CD2 3.88Å; W503-Y548 HydrophobicContact CH2-CD2 3.88Å; W503-Y548 HydrophobicContact CH2-CE1 4.43Å; W503-Y548 HydrophobicContact CH2-CE2 4.32Å; W503-Y548 AromaticContact CH2-CG 3.67Å; W503-Y548 HydrophobicContact CH2-CG 3.67Å; W503-Y548 AromaticContact CZ2-CD1 3.98Å; W503-Y548 HydrophobicContact CZ2-CD1 3.98Å; W503-Y548 HydrophobicContact CZ2-CE1 4.43Å; W503-Y548 HydrophobicContact CZ2-CG 4.07Å; W503-Y548 HydrophobicContact CZ3-CD2 4.06Å; W503-Y548 AromaticContact CZ3-CG 3.9Å; W503-Y548 HydrophobicContact CZ3-CG 3.9Å; K544-Y548 WeakPolarHBondContact O-CD2 3.48Å; K544-Y548 PolarHBondContact O-N 3.25Å; A545-Y548 WeakPolarHBondContact O-CB 3.42Å; A545-Y548 PolarHBondContact O-N 3.06Å; H546-Y548 VanDerWaalsContact C-N 3.29Å; H546-Y548 PolarHBondContact O-N 2.83Å; Y548-V550 VanDerWaalsContact C-N 3.34Å; Y548-V550 PolarHBondContact O-N 2.79Å; Y548-T551 PolarHBondContact O-N 3.4Å; Y548-V552 WeakPolarHBondContact O-CG2 3.38Å; Y548-V552 PolarHBondContact O-N 3.29Å; Y548-N587 PolarHBondContact OH-ND2 3.16Å
549Y98.2Very high97.9Very high18 Ų1819.2 Ų19.27%0.07110%0.095CC..Hα-helixtrans-54.8-49.3174.6164.7-105000111.6Y476 T500 W503 A504 A545 H546 T551 V552 K553Y476-Y549 AromaticContact CD1-CD1 3.8Å; Y476-Y549 HydrophobicContact CD1-CD1 3.8Å; Y476-Y549 AromaticContact CD1-CE1 3.26Å; Y476-Y549 HydrophobicContact CD1-CE1 3.26Å; Y476-Y549 AromaticContact CD1-CZ 3.83Å; Y476-Y549 AromaticContact CE1-CD1 3.76Å; Y476-Y549 HydrophobicContact CE1-CD1 3.76Å; Y476-Y549 AromaticContact CE1-CE1 3.7Å; Y476-Y549 HydrophobicContact CE1-CE1 3.7Å; Y476-Y549 HydrophobicContact CG-CD1 4.44Å; Y476-Y549 AromaticContact CG-CE1 3.9Å; Y476-Y549 HydrophobicContact CG-CE1 3.9Å; T500-Y549 HydrophobicContact CG2-CE2 4.01Å; W503-Y549 HydrophobicContact CB-CD2 4.25Å; A504-Y549 HydrophobicContact CB-CD2 3.79Å; A504-Y549 HydrophobicContact CB-CE2 3.55Å; A545-Y549 PolarHBondContact O-N 3.39Å; H546-Y549 WeakPolarHBondContact O-CB 3.21Å; H546-Y549 PolarHBondContact O-N 3.49Å; Y549-T551 VanDerWaalsContact C-N 3.3Å; Y549-T551 PolarHBondContact O-N 3.3Å; Y549-V552 PolarHBondContact O-N 3.37Å; Y549-K553 HydrophobicContact CE1-CD 4.03Å; Y549-K553 HydrophobicContact CE2-CB 4.39Å; Y549-K553 HydrophobicContact CE2-CD 4.19Å; Y549-K553 VanDerWaalsContact O-CB 3.27Å; Y549-K553 WeakPolarHBondContact O-CB 3.34Å; Y549-K553 PolarHBondContact O-N 3.3Å; Y549-K553 VanDerWaalsContact OH-CD 3.28Å; Y549-K553 WeakPolarHBondContact OH-CD 3.4Å
550V98.4Very high97.8Very high18 Ų1824.7 Ų24.711%0.10912%0.121CC..Hα-helixtrans-61.9-38.5179.3172.40000111.6L360 L389 M393 H546 C547 Y548 G554L360-V550 HydrophobicContact CD1-CG1 3.92Å; L389-V550 HydrophobicContact CD2-CG1 4.12Å; L389-V550 HydrophobicContact CD2-CG2 4.41Å; M393-V550 HydrophobicContact CE-CB 3.79Å; M393-V550 HydrophobicContact CE-CG1 3.47Å; M393-V550 VanDerWaalsContact CE-CG1 3.47Å; M393-V550 HydrophobicContact CE-CG2 4.4Å; M393-V550 HydrophobicContact SD-CG1 4.34Å; H546-V550 WeakPolarHBondContact O-CG2 3.36Å; H546-V550 PolarHBondContact O-N 3Å; C547-V550 PolarHBondContact O-N 3.5Å; Y548-V550 VanDerWaalsContact C-N 3.34Å; Y548-V550 PolarHBondContact O-N 2.79Å; V550-G554 PolarHBondContact O-N 2.9Å
551T98.4Very high97.7Very high0 Ų030.2 Ų30.20%014%0.144CC..Hα-helixtrans-64.9-47.8176.9-58.30000111.7A356 F357 L360 C547 Y548 Y549 G554 F555 H579A356-T551 HydrophobicContact CB-CG2 3.98Å; F357-T551 HydrophobicContact CD1-CG2 4.04Å; F357-T551 HydrophobicContact CE1-CG2 3.98Å; L360-T551 HydrophobicContact CD2-CG2 4.12Å; L360-T551 WeakPolarHBondContact CD2-OG1 3.48Å; C547-T551 WeakPolarHBondContact O-CB 3.44Å; C547-T551 PolarHBondContact O-N 3.47Å; C547-T551 PolarHBondContact O-OG1 2.98Å; Y548-T551 PolarHBondContact O-N 3.4Å; Y549-T551 VanDerWaalsContact C-N 3.3Å; Y549-T551 PolarHBondContact O-N 3.3Å; T551-G554 PolarHBondContact O-N 3.11Å; T551-F555 PolarHBondContact O-N 3.45Å; T551-H579 WeakPolarHBondContact CG2-NE2 3.23Å
552V98.2Very high97.6Very high1 Ų127.6 Ų27.61%0.00613%0.132CC..Hα-helixtrans-65.8-44.5-179.7169.80000111.5Y499 Y548 Y549 F555 T556 A580Y499-V552 HydrophobicContact CD2-CG1 3.37Å; Y499-V552 HydrophobicContact CE2-CG1 3.68Å; Y548-V552 WeakPolarHBondContact O-CG2 3.38Å; Y548-V552 PolarHBondContact O-N 3.29Å; Y549-V552 PolarHBondContact O-N 3.37Å; V552-F555 PolarHBondContact O-N 2.84Å; V552-T556 PolarHBondContact O-N 2.63Å; V552-T556 PolarHBondContact O-OG1 2.85Å; V552-A580 HydrophobicContact CG1-CB 4.19Å; V552-A580 HydrophobicContact CG2-CB 4.2Å
553K97.8Very high97.2Very high55 Ų5534.2 Ų34.224%0.23916%0.163CC..Hα-helixtrans-60.6-49.2174.3176.8170-178.3-74.30111.2T500 Y549 F555 T556 E557T500-K553 HydrophobicContact CG2-CB 4.13Å; Y549-K553 HydrophobicContact CE1-CD 4.03Å; Y549-K553 HydrophobicContact CE2-CB 4.39Å; Y549-K553 HydrophobicContact CE2-CD 4.19Å; Y549-K553 VanDerWaalsContact O-CB 3.27Å; Y549-K553 WeakPolarHBondContact O-CB 3.34Å; Y549-K553 PolarHBondContact O-N 3.3Å; Y549-K553 VanDerWaalsContact OH-CD 3.28Å; Y549-K553 WeakPolarHBondContact OH-CD 3.4Å; K553-F555 VanDerWaalsContact C-N 3.3Å; K553-F555 PolarHBondContact O-N 2.82Å; K553-T556 WeakPolarHBondContact O-CB 3.47Å; K553-T556 PolarHBondContact O-N 3.11Å; K553-T556 VanDerWaalsContact O-N 3.14Å; K553-E557 VanDerWaalsContact CE-OE1 3.22Å; K553-E557 WeakPolarHBondContact CE-OE1 3.5Å; K553-E557 HydrophobicContact CG-CG 4.38Å; K553-E557 IonicContact NZ-OE1 3.8Å; K553-E557 PolarHBondContact NZ-OE1 3.4Å; K553-E557 IonicContact NZ-OE2 3.27Å; K553-E557 WeakPolarHBondContact O-CG 3.39Å; K553-E557 PolarHBondContact O-N 3.35Å
554G97.6Very high96.9Very high11 Ų1140.9 Ų40.911%0.11320%0.198CC..Hα-helixtrans-61.7-36.4-179.400000113.1V550 T551 A558V550-G554 PolarHBondContact O-N 2.9Å; T551-G554 PolarHBondContact O-N 3.11Å; G554-A558 WeakPolarHBondContact O-CB 3.33Å; G554-A558 PolarHBondContact O-N 3.11Å; G554-A558 VanDerWaalsContact O-N 3.09Å
555F98Very high96.7Very high0 Ų040.2 Ų40.20%020%0.196CC..Hα-helixtrans-71.2-39.9174.8-161.3-179.5000111.6A356 F359 T551 V552 K553 A558 L559 L572 L575 C576A356-F555 VanDerWaalsContact CA-CD1 3.5Å; A356-F555 HydrophobicContact CB-CB 4.3Å; A356-F555 HydrophobicContact CB-CD1 3.37Å; A356-F555 HydrophobicContact CB-CE1 3.85Å; A356-F555 HydrophobicContact CB-CG 4.04Å; F359-F555 AromaticContact CD2-CD2 3.75Å; F359-F555 HydrophobicContact CD2-CD2 3.75Å; F359-F555 AromaticContact CD2-CE2 3.63Å; F359-F555 HydrophobicContact CD2-CE2 3.63Å; F359-F555 HydrophobicContact CE2-CD2 4.3Å; F359-F555 AromaticContact CE2-CE2 3.74Å; F359-F555 HydrophobicContact CE2-CE2 3.74Å; T551-F555 PolarHBondContact O-N 3.45Å; V552-F555 PolarHBondContact O-N 2.84Å; K553-F555 VanDerWaalsContact C-N 3.3Å; K553-F555 PolarHBondContact O-N 2.82Å; F555-A558 WeakPolarHBondContact O-CB 3.3Å; F555-A558 PolarHBondContact O-N 3.2Å; F555-L559 HydrophobicContact CD2-CG 4.45Å; F555-L559 HydrophobicContact CE2-CD2 4.3Å; F555-L559 WeakPolarHBondContact O-CG 3.31Å; F555-L559 PolarHBondContact O-N 3.3Å; F555-L572 HydrophobicContact CE2-CB 4.49Å; F555-L575 HydrophobicContact CE1-CB 4.34Å; F555-L575 HydrophobicContact CZ-CB 4.22Å; F555-C576 HydrophobicContact CD1-CB 3.59Å; F555-C576 HydrophobicContact CD2-CB 4.29Å; F555-C576 HydrophobicContact CE1-CB 3.63Å; F555-C576 HydrophobicContact CE2-CB 4.29Å; F555-C576 HydrophobicContact CG-CB 3.96Å; F555-C576 HydrophobicContact CZ-CB 3.98Å
556T97.6Very high96.6Very high12 Ų1244.3 Ų44.37%0.07422%0.224CC..Hα-helixtrans-59.8-48.6175.1-57.10000111.6P496 T500 V552 K553 A558 L559 E560P496-T556 HydrophobicContact CB-CG2 3.46Å; P496-T556 VanDerWaalsContact CB-CG2 3.46Å; T500-T556 PolarHBondContact OG1-OG1 3.05Å; V552-T556 PolarHBondContact O-N 2.63Å; V552-T556 PolarHBondContact O-OG1 2.85Å; K553-T556 WeakPolarHBondContact O-CB 3.47Å; K553-T556 PolarHBondContact O-N 3.11Å; K553-T556 VanDerWaalsContact O-N 3.14Å; T556-A558 PolarHBondContact O-N 3.01Å; T556-L559 WeakPolarHBondContact O-CB 3.2Å; T556-L559 PolarHBondContact O-N 3.27Å; T556-E560 PolarHBondContact O-N 3.03Å
557E96.9Very high96.5Very high67 Ų6746 Ų4631%0.31324%0.239SC..Hα-helixtrans-61.6-32.6176.1-70.3172.3169.200112.3K553 E560 K561K553-E557 VanDerWaalsContact CE-OE1 3.22Å; K553-E557 WeakPolarHBondContact CE-OE1 3.5Å; K553-E557 HydrophobicContact CG-CG 4.38Å; K553-E557 IonicContact NZ-OE1 3.8Å; K553-E557 PolarHBondContact NZ-OE1 3.4Å; K553-E557 IonicContact NZ-OE2 3.27Å; K553-E557 WeakPolarHBondContact O-CG 3.39Å; K553-E557 PolarHBondContact O-N 3.35Å; E557-E560 PolarHBondContact O-N 3.49Å; E557-K561 WeakPolarHBondContact O-CG 3.5Å; E557-K561 PolarHBondContact O-N 3.22Å
558A96.9Very high96.5Very high10 Ų1046.2 Ų46.28%0.08324%0.24CC..Hα-helixtrans-69-34.2174.500000112.3F359 G554 F555 T556 K561 L562F359-A558 HydrophobicContact CB-CB 3.59Å; F359-A558 HydrophobicContact CD1-CB 3.82Å; F359-A558 HydrophobicContact CD2-CB 4.1Å; F359-A558 HydrophobicContact CG-CB 3.57Å; G554-A558 WeakPolarHBondContact O-CB 3.33Å; G554-A558 PolarHBondContact O-N 3.11Å; G554-A558 VanDerWaalsContact O-N 3.09Å; F555-A558 WeakPolarHBondContact O-CB 3.3Å; F555-A558 PolarHBondContact O-N 3.2Å; T556-A558 PolarHBondContact O-N 3.01Å; A558-K561 PolarHBondContact O-N 2.88Å; A558-L562 WeakPolarHBondContact O-CG 3.34Å
559L96.9Very high96.5Very high9 Ų947.8 Ų47.85%0.04725%0.248CC..Hα-helixtrans-66.7-38.5174.5-65.3172.6000111.8F555 T556 K561 L562 Q569 L572 K573 C576F555-L559 HydrophobicContact CD2-CG 4.45Å; F555-L559 HydrophobicContact CE2-CD2 4.3Å; F555-L559 WeakPolarHBondContact O-CG 3.31Å; F555-L559 PolarHBondContact O-N 3.3Å; T556-L559 WeakPolarHBondContact O-CB 3.2Å; T556-L559 PolarHBondContact O-N 3.27Å; L559-K561 VanDerWaalsContact C-N 3.26Å; L559-K561 PolarHBondContact O-N 3.43Å; L559-L562 WeakPolarHBondContact O-CB 3.43Å; L559-L562 PolarHBondContact O-N 2.99Å; L559-Q569 PolarHBondContact O-NE2 3.46Å; L559-L572 HydrophobicContact CD2-CB 3.63Å; L559-K573 HydrophobicContact CD1-CB 4Å; L559-K573 HydrophobicContact CD1-CG 4.12Å; L559-K573 HydrophobicContact CD2-CB 4.32Å; L559-C576 HydrophobicContact CD1-CB 3.67Å
560E95.6Very high96.5Very high115 Ų11552.4 Ų52.454%0.53727%0.27SS..Hα-helixtrans-58.8-39.5176.7-67171.2178.600111.3T556 E557 L562 E563T556-E560 PolarHBondContact O-N 3.03Å; E557-E560 PolarHBondContact O-N 3.49Å; E560-L562 PolarHBondContact O-N 3.35Å; E560-L562 VanDerWaalsContact O-N 3.1Å; E560-E563 PolarHBondContact O-N 3.35Å
561K95.5Very high96.4Very high155 Ų15551.7 Ų51.767%0.67427%0.266SS*.THydrogen-bonded Turntrans-66.3-9.8175.7-64.7174.7-175.8179.80114.2E557 A558 L559E557-K561 WeakPolarHBondContact O-CG 3.5Å; E557-K561 PolarHBondContact O-N 3.22Å; A558-K561 PolarHBondContact O-N 2.88Å; L559-K561 VanDerWaalsContact C-N 3.26Å; L559-K561 PolarHBondContact O-N 3.43Å
562L95Very high96.4Very high20 Ų2051.7 Ų51.711%0.10527%0.266CS..THydrogen-bonded Turntrans-106.519.2-178.8-62.5176.4000113.1I39 A558 L559 E560 N564 E565 Q569 L572I39-L562 HydrophobicContact CD1-CD2 4Å; I39-L562 HydrophobicContact CG2-CD2 4.22Å; A558-L562 WeakPolarHBondContact O-CG 3.34Å; L559-L562 WeakPolarHBondContact O-CB 3.43Å; L559-L562 PolarHBondContact O-N 2.99Å; E560-L562 PolarHBondContact O-N 3.35Å; E560-L562 VanDerWaalsContact O-N 3.1Å; L562-N564 PolarHBondContact O-N 3.44Å; L562-E565 HydrophobicContact CB-CB 4.47Å; L562-E565 HydrophobicContact CD2-CG 4.46Å; L562-E565 PolarHBondContact O-N 3.09Å; L562-Q569 HydrophobicContact CB-CB 4.19Å; L562-Q569 HydrophobicContact CB-CG 4.22Å; L562-L572 HydrophobicContact CD1-CD1 3.61Å
563E89.8Confident96.5Very high139 Ų13954.3 Ų54.365%0.6528%0.277SS*.THydrogen-bonded Turntrans-52.7-28.4179.961.5178.5-174.600114.6E560 E565E560-E563 PolarHBondContact O-N 3.35Å; E563-E565 VanDerWaalsContact C-N 3.35Å
564N92.1Very high96.5Very high141 Ų14154.1 Ų54.175%0.75428%0.275SS*.THydrogen-bonded Turntrans-87.7-0.1179.3-63.9-57.1000113.8L562L562-N564 PolarHBondContact O-N 3.44Å
565E94.8Very high96.6Very high46 Ų4653.6 Ų53.622%0.21527%0.27CS..  trans-119.552.3-175-61.2-7017100110.6R35 I39 L562 E563 A567 I568 Q569R35-E565 WeakPolarHBondContact CG-OE2 3.18Å; R35-E565 IonicContact CZ-OE1 3.12Å; R35-E565 IonicContact NE-OE1 2.76Å; R35-E565 PolarHBondContact NE-OE1 3.02Å; R35-E565 IonicContact NE-OE2 3.53Å; R35-E565 IonicContact NH2-OE1 2.66Å; R35-E565 PolarHBondContact NH2-OE1 3.31Å; I39-E565 HydrophobicContact CD1-CG 4.28Å; L562-E565 HydrophobicContact CB-CB 4.47Å; L562-E565 HydrophobicContact CD2-CG 4.46Å; L562-E565 PolarHBondContact O-N 3.09Å; E563-E565 VanDerWaalsContact C-N 3.35Å; E565-A567 PolarHBondContact O-N 2.86Å; E565-A567 VanDerWaalsContact O-N 3.09Å; E565-I568 HydrophobicContact CB-CB 4.16Å; E565-I568 CarbonylContact O-C 3.58Å; E565-I568 WeakPolarHBondContact O-CA 3.43Å; E565-I568 PolarHBondContact O-N 3.44Å; E565-Q569 WeakPolarHBondContact O-CB 3.35Å; E565-Q569 PolarHBondContact O-N 2.88Å
566S95.6Very high96.6Very high90 Ų9053.7 Ų53.763%0.62927%0.27SS*.Hα-helixtrans-46.7-46.6-164.362.20000115.8Q570S566-Q570 VanDerWaalsContact O-CB 3.3Å; S566-Q570 WeakPolarHBondContact O-CB 3.43Å; S566-Q570 PolarHBondContact O-N 3.14Å
567A97Very high96.6Very high37 Ų3753.3 Ų53.331%0.30627%0.268SS..Hα-helixtrans-66.4-41.2178.900000112.7F31 E565 Q570 V571F31-A567 HydrophobicContact CB-CB 4.02Å; E565-A567 PolarHBondContact O-N 2.86Å; E565-A567 VanDerWaalsContact O-N 3.09Å; A567-Q570 PolarHBondContact O-N 2.94Å; A567-V571 PolarHBondContact O-N 2.99Å; A567-V571 VanDerWaalsContact O-N 3.15Å
568I98.1Very high96.7Very high4 Ų450.1 Ų50.12%0.02125%0.253CS..Hα-helixtrans-70.8-45.3177.4-67.4173.1000110.2F31 R35 L36 I39 E565 Q570 V571 L572F31-I568 HydrophobicContact CB-CG1 4.05Å; F31-I568 HydrophobicContact CD2-CG1 4.19Å; F31-I568 HydrophobicContact CG-CG1 4.48Å; R35-I568 HydrophobicContact CB-CD1 3.79Å; R35-I568 HydrophobicContact CG-CD1 3.5Å; L36-I568 HydrophobicContact CB-CD1 4.22Å; L36-I568 HydrophobicContact CD1-CG2 3.85Å; I39-I568 HydrophobicContact CD1-CD1 3.91Å; I39-I568 HydrophobicContact CD1-CG2 4.08Å; E565-I568 HydrophobicContact CB-CB 4.16Å; E565-I568 CarbonylContact O-C 3.58Å; E565-I568 WeakPolarHBondContact O-CA 3.43Å; E565-I568 PolarHBondContact O-N 3.44Å; I568-Q570 PolarHBondContact O-N 3.42Å; I568-V571 VanDerWaalsContact O-CG1 3.31Å; I568-V571 WeakPolarHBondContact O-CG1 3.33Å; I568-V571 PolarHBondContact O-N 2.95Å; I568-L572 HydrophobicContact CG2-CD1 3.75Å; I568-L572 HydrophobicContact CG2-CG 4.12Å; I568-L572 WeakPolarHBondContact O-CB 3.19Å; I568-L572 VanDerWaalsContact O-CG 3.32Å; I568-L572 WeakPolarHBondContact O-CG 3.36Å; I568-L572 PolarHBondContact O-N 3.14Å
569Q97.9Very high96.8Very high56 Ų5650 Ų5026%0.26225%0.251SS..Hα-helixtrans-56.4-42.7175.3-168.5-170.643.900110.1L559 L562 E565 K573L559-Q569 PolarHBondContact O-NE2 3.46Å; L562-Q569 HydrophobicContact CB-CB 4.19Å; L562-Q569 HydrophobicContact CB-CG 4.22Å; E565-Q569 WeakPolarHBondContact O-CB 3.35Å; E565-Q569 PolarHBondContact O-N 2.88Å; Q569-K573 WeakPolarHBondContact O-CB 3.34Å; Q569-K573 PolarHBondContact O-N 2.65Å
570Q97.6Very high96.9Very high114 Ų11449.6 Ų49.653%0.53325%0.248SC..Hα-helixtrans-63.9-46.1178.5-171.2179.322.900112.9S566 A567 I568 K573 R574S566-Q570 VanDerWaalsContact O-CB 3.3Å; S566-Q570 WeakPolarHBondContact O-CB 3.43Å; S566-Q570 PolarHBondContact O-N 3.14Å; A567-Q570 PolarHBondContact O-N 2.94Å; I568-Q570 PolarHBondContact O-N 3.42Å; Q570-K573 PolarHBondContact O-N 3.19Å; Q570-R574 WeakPolarHBondContact O-CG 3.39Å; Q570-R574 PolarHBondContact O-N 3.39Å; Q570-R574 VanDerWaalsContact O-N 3.15Å
571V98.1Very high97Very high3 Ų344.1 Ų44.12%0.01822%0.223CC..Hα-helixtrans-69.2-39.9179.874.40000111.6F31 A567 I568 K573 R574 L575 D619 L623F31-V571 HydrophobicContact CD1-CB 4.03Å; F31-V571 HydrophobicContact CD1-CG1 3.66Å; F31-V571 HydrophobicContact CD1-CG2 4.14Å; F31-V571 HydrophobicContact CD2-CG1 4.44Å; F31-V571 HydrophobicContact CE1-CB 4.27Å; F31-V571 HydrophobicContact CE1-CG1 3.87Å; F31-V571 HydrophobicContact CE1-CG2 3.93Å; F31-V571 HydrophobicContact CG-CG1 3.98Å; F31-V571 HydrophobicContact CZ-CG1 4.34Å; A567-V571 PolarHBondContact O-N 2.99Å; A567-V571 VanDerWaalsContact O-N 3.15Å; I568-V571 VanDerWaalsContact O-CG1 3.31Å; I568-V571 WeakPolarHBondContact O-CG1 3.33Å; I568-V571 PolarHBondContact O-N 2.95Å; V571-K573 VanDerWaalsContact C-N 3.32Å; V571-K573 PolarHBondContact O-N 2.88Å; V571-R574 WeakPolarHBondContact O-CB 3.4Å; V571-R574 PolarHBondContact O-N 3.01Å; V571-L575 PolarHBondContact O-N 2.9Å; V571-D619 HydrophobicContact CG2-CB 3.88Å; V571-L623 HydrophobicContact CG1-CD2 4.16Å; V571-L623 HydrophobicContact CG2-CD1 4.08Å; V571-L623 HydrophobicContact CG2-CD2 3.97Å; V571-L623 HydrophobicContact CG2-CG 4.24Å
572L98.5Very high97.2Very high0 Ų039.6 Ų39.60%020%0.204CC..Hα-helixtrans-68.5-33.6175.9-66.8-176.6000111.7L36 Y355 F359 F555 L559 L562 I568 R574 L575 C576L36-L572 HydrophobicContact CD1-CD1 3.99Å; L36-L572 HydrophobicContact CD1-CD2 4.32Å; L36-L572 HydrophobicContact CD1-CG 4.47Å; L36-L572 HydrophobicContact CD2-CD2 4.44Å; Y355-L572 HydrophobicContact CD1-CD2 3.53Å; Y355-L572 HydrophobicContact CE1-CD2 3.68Å; Y355-L572 HydrophobicContact CG-CD2 4.11Å; F359-L572 HydrophobicContact CE2-CD1 4Å; F359-L572 HydrophobicContact CZ-CD1 3.82Å; F555-L572 HydrophobicContact CE2-CB 4.49Å; L559-L572 HydrophobicContact CD2-CB 3.63Å; L562-L572 HydrophobicContact CD1-CD1 3.61Å; I568-L572 HydrophobicContact CG2-CD1 3.75Å; I568-L572 HydrophobicContact CG2-CG 4.12Å; I568-L572 WeakPolarHBondContact O-CB 3.19Å; I568-L572 VanDerWaalsContact O-CG 3.32Å; I568-L572 WeakPolarHBondContact O-CG 3.36Å; I568-L572 PolarHBondContact O-N 3.14Å; L572-R574 VanDerWaalsContact C-N 3.34Å; L572-R574 PolarHBondContact O-N 2.62Å; L572-L575 HydrophobicContact CD2-CD1 4.17Å; L572-L575 WeakPolarHBondContact O-CB 3.45Å; L572-L575 PolarHBondContact O-N 2.94Å; L572-L575 VanDerWaalsContact O-N 3.16Å; L572-C576 PolarHBondContact O-N 3Å
573K98.4Very high97.3Very high57 Ų5738.7 Ų38.725%0.24820%0.2CC..Hα-helixtrans-61.2-42.6172.7-176.1-174.6-178.2-45.20111.3L494 L559 Q569 Q570 V571 L575 C576 D577L494-K573 PolarHBondContact O-NZ 2.94Å; L559-K573 HydrophobicContact CD1-CB 4Å; L559-K573 HydrophobicContact CD1-CG 4.12Å; L559-K573 HydrophobicContact CD2-CB 4.32Å; Q569-K573 WeakPolarHBondContact O-CB 3.34Å; Q569-K573 PolarHBondContact O-N 2.65Å; Q570-K573 PolarHBondContact O-N 3.19Å; V571-K573 VanDerWaalsContact C-N 3.32Å; V571-K573 PolarHBondContact O-N 2.88Å; K573-L575 VanDerWaalsContact C-N 3.26Å; K573-L575 PolarHBondContact O-N 3.19Å; K573-C576 WeakPolarHBondContact O-CB 3.39Å; K573-C576 PolarHBondContact O-N 3.44Å; K573-C576 VanDerWaalsContact O-N 3.11Å; K573-D577 IonicContact NZ-OD1 2.71Å; K573-D577 PolarHBondContact NZ-OD1 3.02Å; K573-D577 IonicContact NZ-OD2 2.7Å; K573-D577 PolarHBondContact NZ-OD2 3.39Å; K573-D577 WeakPolarHBondContact O-CB 3.45Å; K573-D577 PolarHBondContact O-N 3.46Å
574R98.6Very high97.7Very high51 Ų5132.1 Ų32.119%0.19217%0.169CC..Hα-helixtrans-58.8-39.4174.4-66.7173.2-171.6162.67.1111.8Q570 V571 L572 L578 L612 I616 D619Q570-R574 WeakPolarHBondContact O-CG 3.39Å; Q570-R574 PolarHBondContact O-N 3.39Å; Q570-R574 VanDerWaalsContact O-N 3.15Å; V571-R574 WeakPolarHBondContact O-CB 3.4Å; V571-R574 PolarHBondContact O-N 3.01Å; L572-R574 VanDerWaalsContact C-N 3.34Å; L572-R574 PolarHBondContact O-N 2.62Å; R574-L578 VanDerWaalsContact O-CB 3.31Å; R574-L578 WeakPolarHBondContact O-CB 3.49Å; R574-L578 PolarHBondContact O-N 3.27Å; R574-L612 HydrophobicContact CB-CD2 4.01Å; R574-L612 HydrophobicContact CG-CD2 4.19Å; R574-I616 HydrophobicContact CB-CD1 4.33Å; R574-I616 HydrophobicContact CB-CG1 4.04Å; R574-D619 IonicContact NH1-OD2 3.02Å; R574-D619 PolarHBondContact NH1-OD2 2.99Å
575L98.8Very high98Very high0 Ų027.1 Ų27.10%014%0.142CC..Hα-helixtrans-67-41.1174.4-65.4-178000112A352 Y355 F555 V571 L572 K573 L578 H579 I616 L623A352-L575 HydrophobicContact CB-CB 4.07Å; A352-L575 HydrophobicContact CB-CD2 4.06Å; A352-L575 WeakPolarHBondContact CB-O 3.48Å; Y355-L575 HydrophobicContact CD2-CD1 3.4Å; Y355-L575 HydrophobicContact CE2-CD1 3.79Å; Y355-L575 HydrophobicContact CG-CD1 3.86Å; F555-L575 HydrophobicContact CE1-CB 4.34Å; F555-L575 HydrophobicContact CZ-CB 4.22Å; V571-L575 PolarHBondContact O-N 2.9Å; L572-L575 HydrophobicContact CD2-CD1 4.17Å; L572-L575 WeakPolarHBondContact O-CB 3.45Å; L572-L575 PolarHBondContact O-N 2.94Å; L572-L575 VanDerWaalsContact O-N 3.16Å; K573-L575 VanDerWaalsContact C-N 3.26Å; K573-L575 PolarHBondContact O-N 3.19Å; L575-L578 PolarHBondContact O-N 3.42Å; L575-H579 WeakPolarHBondContact O-CB 3.48Å; L575-H579 PolarHBondContact O-N 3.16Å; L575-I616 HydrophobicContact CD2-CD1 3.97Å; L575-I616 HydrophobicContact CD2-CG1 4.23Å; L575-I616 HydrophobicContact CD2-CG2 3.98Å; L575-L623 HydrophobicContact CD1-CD1 4.02Å; L575-L623 HydrophobicContact CD1-CD2 3.94Å; L575-L623 HydrophobicContact CD2-CD1 4.12Å; L575-L623 HydrophobicContact CG-CD1 4.31Å
576C98.7Very high98.1Very high1 Ų129.1 Ų29.11%0.00716%0.157CC..Hα-helixtrans-61.5-48.7176-169.90000111.5Y499 F555 L559 L572 K573 L578 H579 A580Y499-C576 PolarHBondContact OH-SG 3Å; F555-C576 HydrophobicContact CD1-CB 3.59Å; F555-C576 HydrophobicContact CD2-CB 4.29Å; F555-C576 HydrophobicContact CE1-CB 3.63Å; F555-C576 HydrophobicContact CE2-CB 4.29Å; F555-C576 HydrophobicContact CG-CB 3.96Å; F555-C576 HydrophobicContact CZ-CB 3.98Å; L559-C576 HydrophobicContact CD1-CB 3.67Å; L572-C576 PolarHBondContact O-N 3Å; K573-C576 WeakPolarHBondContact O-CB 3.39Å; K573-C576 PolarHBondContact O-N 3.44Å; K573-C576 VanDerWaalsContact O-N 3.11Å; C576-L578 VanDerWaalsContact C-N 3.35Å; C576-L578 PolarHBondContact O-N 3.01Å; C576-H579 PolarHBondContact O-N 3.02Å; C576-A580 WeakPolarHBondContact O-CB 3.28Å; C576-A580 PolarHBondContact O-N 2.95Å
577D98.7Very high98.2Very high5 Ų526.9 Ų26.93%0.02714%0.138CC..Hα-helixtrans-59.1-45.9175.4-59-20.7000110.4L494 Y499 K573 H579 A580 I581 L612L494-D577 HydrophobicContact CD2-CB 4.11Å; Y499-D577 HydrophobicContact CE1-CB 4.36Å; Y499-D577 VanDerWaalsContact CE1-OD1 3.26Å; Y499-D577 WeakPolarHBondContact CE1-OD1 3.44Å; Y499-D577 PolarHBondContact OH-OD1 2.96Å; K573-D577 IonicContact NZ-OD1 2.71Å; K573-D577 PolarHBondContact NZ-OD1 3.02Å; K573-D577 IonicContact NZ-OD2 2.7Å; K573-D577 PolarHBondContact NZ-OD2 3.39Å; K573-D577 WeakPolarHBondContact O-CB 3.45Å; K573-D577 PolarHBondContact O-N 3.46Å; D577-H579 PolarHBondContact O-N 3.33Å; D577-A580 PolarHBondContact O-N 3.42Å; D577-I581 WeakPolarHBondContact O-CB 3.46Å; D577-I581 WeakPolarHBondContact O-CD1 3.22Å; D577-I581 WeakPolarHBondContact O-CG1 3.35Å; D577-I581 PolarHBondContact O-N 2.93Å; D577-L612 HydrophobicContact CB-CD1 3.83Å; D577-L612 HydrophobicContact CB-CD2 4.44Å
578L98.8Very high98.3Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-60.6-45.9178-17574.7000111.5F348 P349 A352 R574 L575 C576 H582 Y609 L612 L613 I616F348-L578 HydrophobicContact CB-CD2 3.64Å; P349-L578 HydrophobicContact CG-CD2 4.47Å; A352-L578 HydrophobicContact CB-CB 4.43Å; A352-L578 HydrophobicContact CB-CD2 4.14Å; R574-L578 VanDerWaalsContact O-CB 3.31Å; R574-L578 WeakPolarHBondContact O-CB 3.49Å; R574-L578 PolarHBondContact O-N 3.27Å; L575-L578 PolarHBondContact O-N 3.42Å; C576-L578 VanDerWaalsContact C-N 3.35Å; C576-L578 PolarHBondContact O-N 3.01Å; L578-H582 WeakPolarHBondContact O-CB 3.44Å; L578-H582 PolarHBondContact O-N 3.3Å; L578-Y609 HydrophobicContact CD1-CD2 3.51Å; L578-Y609 HydrophobicContact CD1-CE2 3.46Å; L578-Y609 VanDerWaalsContact CD1-CE2 3.46Å; L578-Y609 HydrophobicContact CD1-CG 4.4Å; L578-Y609 HydrophobicContact CG-CE2 4.29Å; L578-L612 HydrophobicContact CB-CD1 4.25Å; L578-L612 HydrophobicContact CD1-CB 3.97Å; L578-L612 HydrophobicContact CD1-CD1 4.47Å; L578-L613 HydrophobicContact CD1-CD2 3.94Å; L578-L613 HydrophobicContact CD2-CD2 4.36Å; L578-I616 HydrophobicContact CB-CD1 3.84Å; L578-I616 HydrophobicContact CD1-CD1 4.45Å; L578-I616 HydrophobicContact CD2-CD1 3.58Å; L578-I616 HydrophobicContact CG-CD1 4.14Å
579H98.5Very high98.3Very high8 Ų828.8 Ų28.84%0.03716%0.157CC..Hα-helixtrans-62-48.9179.3173.861.1000111.5A352 T551 L575 C576 D577 H582 G583A352-H579 HydrophobicContact CB-CB 4.09Å; T551-H579 WeakPolarHBondContact CG2-NE2 3.23Å; L575-H579 WeakPolarHBondContact O-CB 3.48Å; L575-H579 PolarHBondContact O-N 3.16Å; C576-H579 PolarHBondContact O-N 3.02Å; D577-H579 PolarHBondContact O-N 3.33Å; H579-H582 PolarHBondContact O-N 3.15Å; H579-G583 PolarHBondContact O-N 3.26Å
580A98.5Very high98.2Very high0 Ų027.5 Ų27.50%015%0.152CC..Hα-helixtrans-63.6-46.2-178.400000111.7Y499 V552 C576 D577 G583 I584Y499-A580 HydrophobicContact CD1-CB 3.85Å; Y499-A580 HydrophobicContact CD2-CB 3.43Å; Y499-A580 VanDerWaalsContact CD2-CB 3.43Å; Y499-A580 HydrophobicContact CE1-CB 4.09Å; Y499-A580 HydrophobicContact CE2-CB 3.72Å; Y499-A580 HydrophobicContact CG-CB 3.48Å; Y499-A580 VanDerWaalsContact CG-CB 3.48Å; V552-A580 HydrophobicContact CG1-CB 4.19Å; V552-A580 HydrophobicContact CG2-CB 4.2Å; C576-A580 WeakPolarHBondContact O-CB 3.28Å; C576-A580 PolarHBondContact O-N 2.95Å; D577-A580 PolarHBondContact O-N 3.42Å; A580-G583 PolarHBondContact O-N 3.41Å; A580-I584 WeakPolarHBondContact O-CG1 3.49Å; A580-I584 PolarHBondContact O-N 3.42Å
581I98.5Very high98.2Very high0 Ų022.1 Ų22.10%013%0.127CC..Hα-helixtrans-68.2-41179-63.3166.7000111.1F493 L494 D577 G583 I584 L585 A605 A608 Y609 L612F493-I581 HydrophobicContact CB-CD1 4.03Å; F493-I581 HydrophobicContact CB-CG1 4.32Å; L494-I581 HydrophobicContact CD2-CD1 4.1Å; D577-I581 WeakPolarHBondContact O-CB 3.46Å; D577-I581 WeakPolarHBondContact O-CD1 3.22Å; D577-I581 WeakPolarHBondContact O-CG1 3.35Å; D577-I581 PolarHBondContact O-N 2.93Å; I581-G583 VanDerWaalsContact C-N 3.26Å; I581-G583 PolarHBondContact O-N 3.48Å; I581-I584 PolarHBondContact O-N 3.27Å; I581-I584 VanDerWaalsContact O-N 3.14Å; I581-L585 HydrophobicContact CG2-CD1 3.92Å; I581-L585 HydrophobicContact CG2-CG 4.18Å; I581-L585 WeakPolarHBondContact O-CG 3.39Å; I581-L585 PolarHBondContact O-N 3.07Å; I581-A605 HydrophobicContact CG2-CB 4.19Å; I581-A605 WeakPolarHBondContact CG2-O 3.31Å; I581-A608 HydrophobicContact CD1-CB 4.08Å; I581-Y609 HydrophobicContact CG2-CD2 4.41Å; I581-L612 HydrophobicContact CD1-CD1 3.87Å
582H98.4Very high98.2Very high59 Ų5925.3 Ų25.327%0.27314%0.144SC..Hα-helixtrans-57.7-42.5174.5-178.267.2000111.4L578 H579 L585 T586 Y609L578-H582 WeakPolarHBondContact O-CB 3.44Å; L578-H582 PolarHBondContact O-N 3.3Å; H579-H582 PolarHBondContact O-N 3.15Å; H582-L585 PolarHBondContact O-N 3.5Å; H582-T586 WeakPolarHBondContact O-CB 3.39Å; H582-T586 PolarHBondContact O-N 2.83Å; H582-T586 PolarHBondContact O-OG1 2.97Å; H582-Y609 HydrophobicContact CB-CD2 4.37Å; H582-Y609 HydrophobicContact CB-CE2 3.9Å; H582-Y609 AromaticContact ND1-CE2 3.81Å
583G97.9Very high98.1Very high2 Ų231.8 Ų31.82%0.02117%0.173CC..Hα-helixtrans-61-45.7173.600000112.6H579 A580 I581 L585 T586 N587H579-G583 PolarHBondContact O-N 3.26Å; A580-G583 PolarHBondContact O-N 3.41Å; I581-G583 VanDerWaalsContact C-N 3.26Å; I581-G583 PolarHBondContact O-N 3.48Å; G583-L585 PolarHBondContact O-N 3.49Å; G583-T586 PolarHBondContact O-N 2.91Å; G583-N587 PolarHBondContact O-N 2.89Å; G583-N587 PolarHBondContact O-ND2 2.8Å
584I98.4Very high97.9Very high0 Ų031.2 Ų31.20%017%0.173CC..Hα-helixtrans-60-47.1176.7-69.3166.3000110.9A580 I581 T586 N587 S588 F591 L597A580-I584 WeakPolarHBondContact O-CG1 3.49Å; A580-I584 PolarHBondContact O-N 3.42Å; I581-I584 PolarHBondContact O-N 3.27Å; I581-I584 VanDerWaalsContact O-N 3.14Å; I584-T586 PolarHBondContact O-N 3.22Å; I584-N587 CarbonylContact O-C 3.58Å; I584-N587 PolarHBondContact O-N 3.2Å; I584-S588 WeakPolarHBondContact O-CA 3.47Å; I584-S588 PolarHBondContact O-N 2.74Å; I584-F591 HydrophobicContact CB-CE2 4.3Å; I584-F591 HydrophobicContact CB-CZ 4.33Å; I584-F591 HydrophobicContact CG1-CE1 3.96Å; I584-F591 HydrophobicContact CG1-CE2 4.17Å; I584-F591 HydrophobicContact CG1-CZ 3.69Å; I584-F591 HydrophobicContact CG2-CD2 4.3Å; I584-F591 HydrophobicContact CG2-CE2 4.37Å; I584-F591 HydrophobicContact CG2-CG 4.46Å; I584-L597 HydrophobicContact CG2-CD1 3.67Å
585L98.4Very high97.8Very high37 Ų3730.9 Ų30.919%0.19418%0.181CC..Hα-helixtrans-67.1-37.3-178.7-68.1174.1000112.4I581 H582 G583 N587 V602 A605 R606 Y609I581-L585 HydrophobicContact CG2-CD1 3.92Å; I581-L585 HydrophobicContact CG2-CG 4.18Å; I581-L585 WeakPolarHBondContact O-CG 3.39Å; I581-L585 PolarHBondContact O-N 3.07Å; H582-L585 PolarHBondContact O-N 3.5Å; G583-L585 PolarHBondContact O-N 3.49Å; L585-N587 VanDerWaalsContact C-N 3.32Å; L585-V602 HydrophobicContact CD2-CG1 4.07Å; L585-A605 HydrophobicContact CD2-CB 4.16Å; L585-R606 HydrophobicContact CD1-CB 4.5Å; L585-R606 HydrophobicContact CD2-CB 4.19Å; L585-Y609 HydrophobicContact CD1-CD1 4.27Å; L585-Y609 HydrophobicContact CD1-CD2 4.19Å; L585-Y609 HydrophobicContact CD1-CG 3.81Å
586T97.6Very high97.7Very high87 Ų8731 Ų3153%0.53418%0.182SC..Hα-helixtrans-70.7-30.8178.7-56.80000111.9H582 G583 I584H582-T586 WeakPolarHBondContact O-CB 3.39Å; H582-T586 PolarHBondContact O-N 2.83Å; H582-T586 PolarHBondContact O-OG1 2.97Å; G583-T586 PolarHBondContact O-N 2.91Å; I584-T586 PolarHBondContact O-N 3.22Å
587N97.8Very high97.7Very high43 Ų4331 Ų3123%0.2318%0.182CC..THydrogen-bonded Turntrans-11328-177.9-55.6-85.7000111.8W503 Y548 G583 I584 L585 G589 D590 F591W503-N587 HydrophobicContact CH2-CB 4.27Å; Y548-N587 PolarHBondContact OH-ND2 3.16Å; G583-N587 PolarHBondContact O-N 2.89Å; G583-N587 PolarHBondContact O-ND2 2.8Å; I584-N587 CarbonylContact O-C 3.58Å; I584-N587 PolarHBondContact O-N 3.2Å; L585-N587 VanDerWaalsContact C-N 3.32Å; N587-G589 PolarHBondContact O-N 2.85Å; N587-D590 PolarHBondContact O-N 2.96Å; N587-F591 HydrophobicContact CB-CE2 4.29Å; N587-F591 WeakPolarHBondContact O-CD2 3.45Å
588S97.9Very high97.7Very high36 Ų3633.2 Ų33.225%0.25220%0.198SC..Hα-helixtrans-58.1-28.9-168.765.20000113.6I584 D590 F591 L592I584-S588 WeakPolarHBondContact O-CA 3.47Å; I584-S588 PolarHBondContact O-N 2.74Å; S588-D590 PolarHBondContact O-N 3.03Å; S588-F591 PolarHBondContact O-N 3.04Å; S588-L592 WeakPolarHBondContact O-CB 3.26Å; S588-L592 VanDerWaalsContact O-CG 3.27Å; S588-L592 WeakPolarHBondContact O-CG 3.47Å; S588-L592 PolarHBondContact O-N 3.28Å
589G97.9Very high97.6Very high46 Ų4635.4 Ų35.447%0.47422%0.22SC..Hα-helixtrans-55.4-38.2174.900000113N587 F591 L592 H593N587-G589 PolarHBondContact O-N 2.85Å; G589-F591 VanDerWaalsContact C-N 3.31Å; G589-F591 PolarHBondContact O-N 2.97Å; G589-L592 PolarHBondContact O-N 3.44Å; G589-H593 WeakPolarHBondContact O-CB 3.32Å; G589-H593 PolarHBondContact O-N 3.32Å
590D96.8Very high97.6Very high29 Ų2937.7 Ų37.716%0.15524%0.24CC..Hα-helixtrans-71.1-27.4-179-77.2-32.6000113.6V506 R509 Q541 N587 S588V506-D590 HydrophobicContact CG1-CB 3.83Å; R509-D590 PolarHBondContact NH2-O 3.15Å; R509-D590 IonicContact NH2-OD1 2.62Å; Q541-D590 PolarHBondContact NE2-OD1 3.42Å; Q541-D590 PolarHBondContact NE2-OD2 2.83Å; N587-D590 PolarHBondContact O-N 2.96Å; S588-D590 PolarHBondContact O-N 3.03Å
591F97.7Very high97.6Very high0 Ų038.6 Ų38.60%024%0.244CC..Hα-helixtrans-86.7-25.4176.5-61.4-95.2000112.6A502 W503 V506 I584 N587 S588 G589 F596 L597A502-F591 HydrophobicContact CB-CD1 4.37Å; A502-F591 HydrophobicContact CB-CE1 3.95Å; W503-F591 AromaticContact CD2-CZ 3.84Å; W503-F591 HydrophobicContact CD2-CZ 3.84Å; W503-F591 AromaticContact CE2-CZ 3.8Å; W503-F591 AromaticContact CE3-CZ 3.95Å; W503-F591 HydrophobicContact CE3-CZ 3.95Å; W503-F591 HydrophobicContact CG-CZ 4.46Å; W503-F591 HydrophobicContact CH2-CE2 4.15Å; W503-F591 HydrophobicContact CH2-CZ 4.05Å; W503-F591 HydrophobicContact CZ2-CE2 4.26Å; W503-F591 AromaticContact CZ2-CZ 3.93Å; W503-F591 HydrophobicContact CZ2-CZ 3.93Å; W503-F591 HydrophobicContact CZ3-CE2 4.37Å; W503-F591 HydrophobicContact CZ3-CZ 4.04Å; V506-F591 HydrophobicContact CB-CE1 4.33Å; V506-F591 HydrophobicContact CB-CZ 4.49Å; V506-F591 HydrophobicContact CG2-CD1 3.43Å; V506-F591 VanDerWaalsContact CG2-CD1 3.43Å; V506-F591 HydrophobicContact CG2-CD2 4.26Å; V506-F591 HydrophobicContact CG2-CE1 3.5Å; V506-F591 HydrophobicContact CG2-CE2 4.31Å; V506-F591 HydrophobicContact CG2-CG 3.83Å; V506-F591 HydrophobicContact CG2-CZ 3.95Å; I584-F591 HydrophobicContact CB-CE2 4.3Å; I584-F591 HydrophobicContact CB-CZ 4.33Å; I584-F591 HydrophobicContact CG1-CE1 3.96Å; I584-F591 HydrophobicContact CG1-CE2 4.17Å; I584-F591 HydrophobicContact CG1-CZ 3.69Å; I584-F591 HydrophobicContact CG2-CD2 4.3Å; I584-F591 HydrophobicContact CG2-CE2 4.37Å; I584-F591 HydrophobicContact CG2-CG 4.46Å; N587-F591 HydrophobicContact CB-CE2 4.29Å; N587-F591 WeakPolarHBondContact O-CD2 3.45Å; S588-F591 PolarHBondContact O-N 3.04Å; G589-F591 VanDerWaalsContact C-N 3.31Å; G589-F591 PolarHBondContact O-N 2.97Å; F591-F596 HydrophobicContact CD1-CD1 4.37Å; F591-F596 PolarHBondContact O-N 2.8Å; F591-L597 HydrophobicContact CB-CB 4.07Å; F591-L597 HydrophobicContact CB-CD1 3.6Å; F591-L597 HydrophobicContact CB-CG 3.85Å; F591-L597 HydrophobicContact CD1-CD1 4.04Å; F591-L597 HydrophobicContact CD1-CG 4.43Å; F591-L597 HydrophobicContact CG-CD1 3.93Å; F591-L597 HydrophobicContact CG-CG 4.48Å; F591-L597 PolarHBondContact O-N 3.37Å
592L97.6Very high97.6Very high71 Ų7139.1 Ų39.137%0.37225%0.247SC..Hα-helixtrans-83.8-26177.3-70.8166.5000112.3S588 G589 D594 A595 L597 V602S588-L592 WeakPolarHBondContact O-CB 3.26Å; S588-L592 VanDerWaalsContact O-CG 3.27Å; S588-L592 WeakPolarHBondContact O-CG 3.47Å; S588-L592 PolarHBondContact O-N 3.28Å; G589-L592 PolarHBondContact O-N 3.44Å; L592-D594 VanDerWaalsContact C-N 3.34Å; L592-D594 PolarHBondContact O-N 2.68Å; L592-A595 WeakPolarHBondContact O-CA 3.47Å; L592-A595 PolarHBondContact O-N 3.47Å; L592-L597 WeakPolarHBondContact CD2-O 3.41Å; L592-V602 HydrophobicContact CD1-CG2 4.44Å; L592-V602 HydrophobicContact CD2-CG2 4.04Å; L592-V602 HydrophobicContact CG-CG2 4.3Å
593H96.2Very high97.6Very high135 Ų13540.2 Ų40.263%0.62526%0.255SS*.THydrogen-bonded Turntrans-52.2-45.2-170.7179.3-91.8000114.1R509 G589R509-H593 PolarHBondContact NH1-ND1 3.15Å; G589-H593 WeakPolarHBondContact O-CB 3.32Å; G589-H593 PolarHBondContact O-N 3.32Å
594D94.8Very high97.7Very high46 Ų4642.5 Ų42.525%0.24627%0.266CS..THydrogen-bonded Turntrans-105.714.8177.567.6-16.6000112.7R484 H505 R509 L592 F596R484-D594 PolarHBondContact NH1-O 3.17Å; H505-D594 IonicContact CD2-OD2 3.52Å; H505-D594 IonicContact CE1-OD2 3.6Å; H505-D594 PolarHBondContact CE1-OD2 2.76Å; H505-D594 VanDerWaalsContact CE1-OD2 3.3Å; H505-D594 IonicContact NE2-OD1 3.15Å; H505-D594 IonicContact NE2-OD2 3.03Å; H505-D594 PolarHBondContact NE2-OD2 3.27Å; R509-D594 WeakPolarHBondContact CD-OD2 3.49Å; L592-D594 VanDerWaalsContact C-N 3.34Å; L592-D594 PolarHBondContact O-N 2.68Å; D594-F596 PolarHBondContact O-N 3.1Å; D594-F596 WeakPolarHBondContact OD1-CB 3.44Å; D594-F596 PolarHBondContact OD1-N 2.62Å; D594-F596 VanDerWaalsContact OD1-N 3.14Å
595A96.3Very high97.7Very high43 Ų4342.5 Ų42.536%0.35527%0.266SS..THydrogen-bonded Turntrans57.528.1-174.100000114.4R484 L592 L597R484-A595 WeakPolarHBondContact CD-O 3.38Å; R484-A595 PolarHBondContact NE-O 2.65Å; R484-A595 PolarHBondContact NH1-O 3.13Å; L592-A595 WeakPolarHBondContact O-CA 3.47Å; L592-A595 PolarHBondContact O-N 3.47Å; A595-L597 VanDerWaalsContact C-N 3.32Å; A595-L597 CarbonylContact C-O 3.6Å; A595-L597 PolarHBondContact O-N 3.44Å
596F97.1Very high97.7Very high3 Ų346.1 Ų46.11%0.01328%0.277CS..SBendtrans-56.3-47.8170.2179.5-96.5000111.4L482 C485 A502 H505 F591 D594L482-F596 HydrophobicContact CB-CE2 4.09Å; L482-F596 WeakPolarHBondContact O-CD2 3.08Å; C485-F596 HydrophobicContact CB-CD1 4.16Å; C485-F596 HydrophobicContact CB-CE1 3.75Å; C485-F596 HydrophobicContact CB-CZ 4Å; C485-F596 VanDerWaalsContact CB-O 3.26Å; C485-F596 WeakPolarHBondContact CB-O 3.38Å; C485-F596 PolarHBondContact N-O 2.78Å; A502-F596 HydrophobicContact CB-CE1 3.57Å; A502-F596 HydrophobicContact CB-CZ 4.12Å; H505-F596 HydrophobicContact CB-CD2 4.28Å; H505-F596 HydrophobicContact CB-CE2 4.03Å; H505-F596 HydrophobicContact CB-CZ 4.29Å; H505-F596 AromaticContact CD2-CD2 3.41Å; H505-F596 VanDerWaalsContact CD2-CD2 3.41Å; H505-F596 WeakPolarHBondContact CD2-CD2 3.47Å; H505-F596 AromaticContact CD2-CG 3.43Å; H505-F596 VanDerWaalsContact CD2-CG 3.43Å; H505-F596 WeakPolarHBondContact CD2-CG 3.49Å; H505-F596 AromaticContact CE1-CD2 3.81Å; H505-F596 AromaticContact CG-CD2 3.55Å; H505-F596 AromaticContact CG-CE2 3.77Å; H505-F596 AromaticContact ND1-CD2 3.82Å; H505-F596 AromaticContact NE2-CD2 3.58Å; H505-F596 AromaticContact NE2-CG 3.72Å; F591-F596 HydrophobicContact CD1-CD1 4.37Å; F591-F596 PolarHBondContact O-N 2.8Å; D594-F596 PolarHBondContact O-N 3.1Å; D594-F596 WeakPolarHBondContact OD1-CB 3.44Å; D594-F596 PolarHBondContact OD1-N 2.62Å; D594-F596 VanDerWaalsContact OD1-N 3.14Å
597L97.9Very high97.7Very high2 Ų245.3 Ų45.31%0.0127%0.272CS..SBendtrans-98.5147.1162.7-67.8-179.3000110.6C485 F493 I584 F591 L592 A595 Q601 V602C485-L597 HydrophobicContact CB-CD2 3.44Å; C485-L597 VanDerWaalsContact CB-CD2 3.44Å; C485-L597 VanDerWaalsContact SG-CD2 3.59Å; F493-L597 HydrophobicContact CE1-CD2 4.28Å; F493-L597 HydrophobicContact CZ-CD2 4.03Å; I584-L597 HydrophobicContact CG2-CD1 3.67Å; F591-L597 HydrophobicContact CB-CB 4.07Å; F591-L597 HydrophobicContact CB-CD1 3.6Å; F591-L597 HydrophobicContact CB-CG 3.85Å; F591-L597 HydrophobicContact CD1-CD1 4.04Å; F591-L597 HydrophobicContact CD1-CG 4.43Å; F591-L597 HydrophobicContact CG-CD1 3.93Å; F591-L597 HydrophobicContact CG-CG 4.48Å; F591-L597 PolarHBondContact O-N 3.37Å; L592-L597 WeakPolarHBondContact CD2-O 3.41Å; A595-L597 VanDerWaalsContact C-N 3.32Å; A595-L597 CarbonylContact C-O 3.6Å; A595-L597 PolarHBondContact O-N 3.44Å; L597-Q601 HydrophobicContact CD2-CB 4.01Å; L597-V602 HydrophobicContact CB-CG2 4.39Å; L597-V602 HydrophobicContact CD1-CG2 4.4Å
598S98Very high97.8Very high51 Ų5143.4 Ų43.436%0.35726%0.262SS..  trans-93.3162.6164.663.60000111.4A600 Q601 V602S598-A600 PolarHBondContact O-N 2.74Å; S598-Q601 PolarHBondContact O-N 2.99Å; S598-Q601 WeakPolarHBondContact OG-CG 3.36Å; S598-Q601 PolarHBondContact OG-N 3.49Å; S598-Q601 PolarHBondContact OG-OE1 2.68Å; S598-V602 PolarHBondContact O-N 3.46Å
599G98.1Very high97.8Very high45 Ų4542.1 Ų42.146%0.46425%0.252SS..Hα-helixtrans-55.4-4017300000112.9Q601 V602 D603G599-Q601 VanDerWaalsContact C-N 3.34Å; G599-Q601 PolarHBondContact O-N 2.83Å; G599-V602 WeakPolarHBondContact O-CB 3.35Å; G599-V602 PolarHBondContact O-N 3.19Å; G599-V602 VanDerWaalsContact O-N 3.16Å; G599-D603 PolarHBondContact O-N 3.05Å
600A98.4Very high97.8Very high57 Ų5742.6 Ų42.647%0.47124%0.244SC..Hα-helixtrans-62.7-38.4175.900000112.6S598 D603 M604S598-A600 PolarHBondContact O-N 2.74Å; A600-D603 WeakPolarHBondContact O-CB 3.38Å; A600-D603 PolarHBondContact O-N 3.5Å; A600-M604 VanDerWaalsContact O-CG 3.31Å; A600-M604 WeakPolarHBondContact O-CG 3.44Å; A600-M604 PolarHBondContact O-N 2.69Å
601Q98.5Very high97.9Very high18 Ų1845.8 Ų45.88%0.08426%0.261CS..Hα-helixtrans-70.3-32.3175.3-74.5168.6-40.700112.3C485 A487 F493 L597 S598 G599 D603 M604 A605C485-Q601 PolarHBondContact O-NE2 2.66Å; A487-Q601 PolarHBondContact O-NE2 3.34Å; F493-Q601 HydrophobicContact CE2-CB 4.43Å; F493-Q601 WeakPolarHBondContact CE2-O 3.41Å; F493-Q601 HydrophobicContact CZ-CB 4.16Å; F493-Q601 WeakPolarHBondContact CZ-O 3.47Å; L597-Q601 HydrophobicContact CD2-CB 4.01Å; S598-Q601 PolarHBondContact O-N 2.99Å; S598-Q601 WeakPolarHBondContact OG-CG 3.36Å; S598-Q601 PolarHBondContact OG-N 3.49Å; S598-Q601 PolarHBondContact OG-OE1 2.68Å; G599-Q601 VanDerWaalsContact C-N 3.34Å; G599-Q601 PolarHBondContact O-N 2.83Å; Q601-D603 VanDerWaalsContact C-N 3.31Å; Q601-M604 HydrophobicContact CG-SD 4.28Å; Q601-M604 WeakPolarHBondContact O-CB 3.19Å; Q601-M604 PolarHBondContact O-N 3.33Å; Q601-A605 WeakPolarHBondContact O-CB 3.39Å; Q601-A605 PolarHBondContact O-N 2.75Å
602V98.5Very high97.9Very high11 Ų1145.9 Ų45.97%0.06726%0.261CS..Hα-helixtrans-63.8-39.3170.5175.30000110.7L585 L592 L597 S598 G599 A605 R606L585-V602 HydrophobicContact CD2-CG1 4.07Å; L592-V602 HydrophobicContact CD1-CG2 4.44Å; L592-V602 HydrophobicContact CD2-CG2 4.04Å; L592-V602 HydrophobicContact CG-CG2 4.3Å; L597-V602 HydrophobicContact CB-CG2 4.39Å; L597-V602 HydrophobicContact CD1-CG2 4.4Å; S598-V602 PolarHBondContact O-N 3.46Å; G599-V602 WeakPolarHBondContact O-CB 3.35Å; G599-V602 PolarHBondContact O-N 3.19Å; G599-V602 VanDerWaalsContact O-N 3.16Å; V602-A605 PolarHBondContact O-N 3.31Å; V602-R606 PolarHBondContact O-N 3.43Å
603D98.6Very high98Very high82 Ų8242.5 Ų42.544%0.43924%0.244SC..Hα-helixtrans-65.8-40.3174.3-64.8-23.6000111.9G599 A600 Q601 R606 T607G599-D603 PolarHBondContact O-N 3.05Å; A600-D603 WeakPolarHBondContact O-CB 3.38Å; A600-D603 PolarHBondContact O-N 3.5Å; Q601-D603 VanDerWaalsContact C-N 3.31Å; D603-R606 WeakPolarHBondContact O-CB 3.45Å; D603-R606 PolarHBondContact O-N 3.31Å; D603-R606 IonicContact OD1-CZ 3.59Å; D603-R606 IonicContact OD1-NH1 2.75Å; D603-R606 PolarHBondContact OD1-NH1 3.18Å; D603-R606 IonicContact OD1-NH2 3.57Å; D603-R606 PolarHBondContact OD1-NH2 3.05Å; D603-T607 PolarHBondContact O-N 2.97Å; D603-T607 PolarHBondContact O-OG1 2.81Å
604M98.6Very high98Very high51 Ų5139.3 Ų39.325%0.25124%0.235SC..Hα-helixtrans-59.8-45172.9-69.4171.5-169.400112.2Q488 A490 F493 A600 Q601 R606 T607 A608Q488-M604 VanDerWaalsContact O-CE 3.22Å; Q488-M604 WeakPolarHBondContact O-CE 3.49Å; A490-M604 HydrophobicContact CB-CB 4.4Å; A490-M604 WeakPolarHBondContact CB-O 3.07Å; F493-M604 HydrophobicContact CD2-CB 4.17Å; F493-M604 HydrophobicContact CE2-CB 3.86Å; A600-M604 VanDerWaalsContact O-CG 3.31Å; A600-M604 WeakPolarHBondContact O-CG 3.44Å; A600-M604 PolarHBondContact O-N 2.69Å; Q601-M604 HydrophobicContact CG-SD 4.28Å; Q601-M604 WeakPolarHBondContact O-CB 3.19Å; Q601-M604 PolarHBondContact O-N 3.33Å; M604-R606 VanDerWaalsContact C-N 3.3Å; M604-R606 PolarHBondContact O-N 2.77Å; M604-T607 PolarHBondContact O-N 3.13Å; M604-A608 PolarHBondContact O-N 3.4Å
605A98.5Very high98.1Very high0 Ų040.3 Ų40.30%024%0.24CC..Hα-helixtrans-61.5-39.617500000111.3F493 I581 L585 Q601 V602 A608 Y609F493-A605 HydrophobicContact CD1-CB 3.92Å; F493-A605 HydrophobicContact CD2-CB 4.15Å; F493-A605 HydrophobicContact CE1-CB 3.88Å; F493-A605 HydrophobicContact CE2-CB 4.11Å; F493-A605 HydrophobicContact CG-CB 4.06Å; F493-A605 HydrophobicContact CZ-CB 3.97Å; I581-A605 HydrophobicContact CG2-CB 4.19Å; I581-A605 WeakPolarHBondContact CG2-O 3.31Å; L585-A605 HydrophobicContact CD2-CB 4.16Å; Q601-A605 WeakPolarHBondContact O-CB 3.39Å; Q601-A605 PolarHBondContact O-N 2.75Å; V602-A605 PolarHBondContact O-N 3.31Å; A605-A608 PolarHBondContact O-N 2.79Å; A605-Y609 WeakPolarHBondContact O-CB 3.4Å; A605-Y609 PolarHBondContact O-N 3.16Å
606R98.5Very high98.2Very high112 Ų11238.2 Ų38.242%0.42322%0.223SC..Hα-helixtrans-63.4-42.8175.5-166.2-178.2-53.9106.36.2112L585 V602 D603 M604 Y609 L610L585-R606 HydrophobicContact CD1-CB 4.5Å; L585-R606 HydrophobicContact CD2-CB 4.19Å; V602-R606 PolarHBondContact O-N 3.43Å; D603-R606 WeakPolarHBondContact O-CB 3.45Å; D603-R606 PolarHBondContact O-N 3.31Å; D603-R606 IonicContact OD1-CZ 3.59Å; D603-R606 IonicContact OD1-NH1 2.75Å; D603-R606 PolarHBondContact OD1-NH1 3.18Å; D603-R606 IonicContact OD1-NH2 3.57Å; D603-R606 PolarHBondContact OD1-NH2 3.05Å; M604-R606 VanDerWaalsContact C-N 3.3Å; M604-R606 PolarHBondContact O-N 2.77Å; R606-Y609 WeakPolarHBondContact O-CB 3.46Å; R606-Y609 PolarHBondContact O-N 3.34Å; R606-L610 HydrophobicContact CG-CD1 4.46Å; R606-L610 WeakPolarHBondContact O-CG 3.47Å; R606-L610 PolarHBondContact O-N 3.32Å
607T98.5Very high98.2Very high70 Ų7039.2 Ų39.243%0.42923%0.227SC..Hα-helixtrans-59.1-50.5174.9-60.10000110.9A490 D603 M604 Y609 L610 D611A490-T607 HydrophobicContact CB-CG2 4.18Å; D603-T607 PolarHBondContact O-N 2.97Å; D603-T607 PolarHBondContact O-OG1 2.81Å; M604-T607 PolarHBondContact O-N 3.13Å; T607-Y609 VanDerWaalsContact C-N 3.29Å; T607-Y609 PolarHBondContact O-N 2.99Å; T607-L610 PolarHBondContact O-N 2.8Å; T607-D611 PolarHBondContact O-N 2.76Å
608A98.5Very high98.1Very high3 Ų345.8 Ų45.83%0.02526%0.255CS..Hα-helixtrans-58.5-40.2177.300000112.6A490 F493 L494 I581 M604 A605 D611 L612A490-A608 HydrophobicContact CB-CB 4.34Å; F493-A608 HydrophobicContact CB-CB 4.3Å; L494-A608 HydrophobicContact CD2-CB 4.21Å; I581-A608 HydrophobicContact CD1-CB 4.08Å; M604-A608 PolarHBondContact O-N 3.4Å; A605-A608 PolarHBondContact O-N 2.79Å; A608-D611 PolarHBondContact O-N 3.27Å; A608-L612 VanDerWaalsContact O-CG 3.32Å; A608-L612 WeakPolarHBondContact O-CG 3.5Å; A608-L612 PolarHBondContact O-N 3.09Å
609Y98.6Very high98.1Very high10 Ų1043.6 Ų43.64%0.03924%0.24CC..Hα-helixtrans-60-48.4175.4175.7-95.5000112.5P349 L578 I581 H582 L585 A605 R606 T607 D611 L612 L613P349-Y609 HydrophobicContact CG-CE2 4.4Å; P349-Y609 WeakPolarHBondContact CG-OH 3.36Å; L578-Y609 HydrophobicContact CD1-CD2 3.51Å; L578-Y609 HydrophobicContact CD1-CE2 3.46Å; L578-Y609 VanDerWaalsContact CD1-CE2 3.46Å; L578-Y609 HydrophobicContact CD1-CG 4.4Å; L578-Y609 HydrophobicContact CG-CE2 4.29Å; I581-Y609 HydrophobicContact CG2-CD2 4.41Å; H582-Y609 HydrophobicContact CB-CD2 4.37Å; H582-Y609 HydrophobicContact CB-CE2 3.9Å; H582-Y609 AromaticContact ND1-CE2 3.81Å; L585-Y609 HydrophobicContact CD1-CD1 4.27Å; L585-Y609 HydrophobicContact CD1-CD2 4.19Å; L585-Y609 HydrophobicContact CD1-CG 3.81Å; A605-Y609 WeakPolarHBondContact O-CB 3.4Å; A605-Y609 PolarHBondContact O-N 3.16Å; R606-Y609 WeakPolarHBondContact O-CB 3.46Å; R606-Y609 PolarHBondContact O-N 3.34Å; T607-Y609 VanDerWaalsContact C-N 3.29Å; T607-Y609 PolarHBondContact O-N 2.99Å; Y609-D611 VanDerWaalsContact C-N 3.33Å; Y609-D611 PolarHBondContact O-N 2.89Å; Y609-L612 PolarHBondContact O-N 3.37Å; Y609-L613 HydrophobicContact CD1-CD1 4.39Å; Y609-L613 HydrophobicContact CE1-CD1 3.83Å; Y609-L613 HydrophobicContact CE1-CG 4.29Å; Y609-L613 PolarHBondContact O-N 3.28Å
610L98.5Very high98.1Very high56 Ų5641.4 Ų41.429%0.29322%0.218SC..Hα-helixtrans-65.3-37.7-179.2-65.9174.8000111.9R606 T607 L613R606-L610 HydrophobicContact CG-CD1 4.46Å; R606-L610 WeakPolarHBondContact O-CG 3.47Å; R606-L610 PolarHBondContact O-N 3.32Å; T607-L610 PolarHBondContact O-N 2.8Å; L610-L613 HydrophobicContact CD2-CD1 4.37Å; L610-L613 PolarHBondContact O-N 3.15Å
611D97.9Very high98.1Very high95 Ų9538.8 Ų38.851%0.50820%0.195SC..Hα-helixtrans-65.5-40.6175.8-68.7-21.4000111.7T607 A608 Y609 L613 C614 L615T607-D611 PolarHBondContact O-N 2.76Å; A608-D611 PolarHBondContact O-N 3.27Å; Y609-D611 VanDerWaalsContact C-N 3.33Å; Y609-D611 PolarHBondContact O-N 2.89Å; D611-L613 VanDerWaalsContact C-N 3.32Å; D611-L613 PolarHBondContact O-N 3.05Å; D611-C614 PolarHBondContact O-N 3.43Å; D611-L615 PolarHBondContact O-N 3.39Å
612L98.4Very high98.1Very high3 Ų338 Ų382%0.01619%0.192CC..Hα-helixtrans-61.5-37.1176.4-78.8168.5000112.6L494 R574 D577 L578 I581 A608 Y609 C614 L615 I616L494-L612 HydrophobicContact CD2-CD1 3.71Å; L494-L612 HydrophobicContact CD2-CD2 4.15Å; L494-L612 HydrophobicContact CD2-CG 3.99Å; R574-L612 HydrophobicContact CB-CD2 4.01Å; R574-L612 HydrophobicContact CG-CD2 4.19Å; D577-L612 HydrophobicContact CB-CD1 3.83Å; D577-L612 HydrophobicContact CB-CD2 4.44Å; L578-L612 HydrophobicContact CB-CD1 4.25Å; L578-L612 HydrophobicContact CD1-CB 3.97Å; L578-L612 HydrophobicContact CD1-CD1 4.47Å; I581-L612 HydrophobicContact CD1-CD1 3.87Å; A608-L612 VanDerWaalsContact O-CG 3.32Å; A608-L612 WeakPolarHBondContact O-CG 3.5Å; A608-L612 PolarHBondContact O-N 3.09Å; Y609-L612 PolarHBondContact O-N 3.37Å; L612-C614 VanDerWaalsContact C-N 3.3Å; L612-C614 PolarHBondContact O-N 2.71Å; L612-L615 PolarHBondContact O-N 2.98Å; L612-L615 VanDerWaalsContact O-N 3.17Å; L612-I616 HydrophobicContact CB-CD1 4.37Å; L612-I616 WeakPolarHBondContact O-CB 3.45Å; L612-I616 WeakPolarHBondContact O-CG1 3.47Å; L612-I616 PolarHBondContact O-N 3.2Å
613L98.6Very high98.1Very high0 Ų037.5 Ų37.50%019%0.189CC..Hα-helixtrans-57.5-45.5176.7-65179.5000111.1Q341 Q344 Q345 F348 L578 Y609 L610 D611 L615 I616 R617Q341-L613 HydrophobicContact CG-CD1 3.82Å; Q344-L613 HydrophobicContact CB-CB 4.22Å; Q344-L613 HydrophobicContact CB-CD1 4.46Å; Q344-L613 HydrophobicContact CB-CD2 4.4Å; Q345-L613 HydrophobicContact CB-CD1 4.13Å; F348-L613 HydrophobicContact CB-CD2 4.03Å; F348-L613 HydrophobicContact CD2-CB 4.36Å; F348-L613 HydrophobicContact CD2-CD2 3.84Å; F348-L613 VanDerWaalsContact CE2-O 3.26Å; F348-L613 WeakPolarHBondContact CE2-O 3.3Å; F348-L613 HydrophobicContact CG-CD2 4.42Å; L578-L613 HydrophobicContact CD1-CD2 3.94Å; L578-L613 HydrophobicContact CD2-CD2 4.36Å; Y609-L613 HydrophobicContact CD1-CD1 4.39Å; Y609-L613 HydrophobicContact CE1-CD1 3.83Å; Y609-L613 HydrophobicContact CE1-CG 4.29Å; Y609-L613 PolarHBondContact O-N 3.28Å; L610-L613 HydrophobicContact CD2-CD1 4.37Å; L610-L613 PolarHBondContact O-N 3.15Å; D611-L613 VanDerWaalsContact C-N 3.32Å; D611-L613 PolarHBondContact O-N 3.05Å; L613-L615 VanDerWaalsContact C-N 3.33Å; L613-L615 PolarHBondContact O-N 2.95Å; L613-I616 PolarHBondContact O-N 2.96Å; L613-R617 WeakPolarHBondContact O-CB 3.35Å; L613-R617 PolarHBondContact O-N 2.94Å
614C96.5Very high98.1Very high67 Ų6733.6 Ų33.645%0.45317%0.168SC..Hα-helixtrans-64.9-35178.3-650000112.8D611 L612D611-C614 PolarHBondContact O-N 3.43Å; L612-C614 VanDerWaalsContact C-N 3.3Å; L612-C614 PolarHBondContact O-N 2.71Å
615L96.9Very high98Very high67 Ų6731.4 Ų31.435%0.35116%0.157SC..Hα-helixtrans-71.5-47.8177.3-67175.8000111.6D611 L612 L613 R617 K618D611-L615 PolarHBondContact O-N 3.39Å; L612-L615 PolarHBondContact O-N 2.98Å; L612-L615 VanDerWaalsContact O-N 3.17Å; L613-L615 VanDerWaalsContact C-N 3.33Å; L613-L615 PolarHBondContact O-N 2.95Å; L615-R617 VanDerWaalsContact C-N 3.28Å; L615-R617 PolarHBondContact O-N 2.99Å; L615-K618 PolarHBondContact O-N 3.03Å
616I98.3Very high98Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-67.4-30.7-178.2-67.8160.9000111.2F348 R574 L575 L578 L612 L613 K618 D619 A620 L623F348-I616 HydrophobicContact CB-CG2 4.19Å; F348-I616 HydrophobicContact CD1-CG2 4.2Å; F348-I616 HydrophobicContact CD2-CB 4.13Å; F348-I616 HydrophobicContact CD2-CG2 3.94Å; F348-I616 HydrophobicContact CE2-CG2 4.39Å; F348-I616 HydrophobicContact CG-CG2 3.85Å; R574-I616 HydrophobicContact CB-CD1 4.33Å; R574-I616 HydrophobicContact CB-CG1 4.04Å; L575-I616 HydrophobicContact CD2-CD1 3.97Å; L575-I616 HydrophobicContact CD2-CG1 4.23Å; L575-I616 HydrophobicContact CD2-CG2 3.98Å; L578-I616 HydrophobicContact CB-CD1 3.84Å; L578-I616 HydrophobicContact CD1-CD1 4.45Å; L578-I616 HydrophobicContact CD2-CD1 3.58Å; L578-I616 HydrophobicContact CG-CD1 4.14Å; L612-I616 HydrophobicContact CB-CD1 4.37Å; L612-I616 WeakPolarHBondContact O-CB 3.45Å; L612-I616 WeakPolarHBondContact O-CG1 3.47Å; L612-I616 PolarHBondContact O-N 3.2Å; L613-I616 PolarHBondContact O-N 2.96Å; I616-K618 PolarHBondContact O-N 2.95Å; I616-K618 VanDerWaalsContact O-N 3.1Å; I616-D619 CarbonylContact O-C 3.56Å; I616-D619 PolarHBondContact O-N 2.76Å; I616-A620 PolarHBondContact O-N 3.39Å; I616-L623 HydrophobicContact CG2-CD1 4.36Å
617R98.1Very high98Very high24 Ų2426.7 Ų26.79%0.09114%0.14CC..Hα-helixtrans-49-39.2175.8171.759.4-171.883.8-0.6112.9E25 L338 D339 F348 L613 L615 D619E25-R617 IonicContact OE1-CZ 3.43Å; E25-R617 IonicContact OE1-NH1 2.7Å; E25-R617 PolarHBondContact OE1-NH1 2.68Å; E25-R617 IonicContact OE1-NH2 3.29Å; E25-R617 PolarHBondContact OE1-NH2 3.29Å; E25-R617 IonicContact OE2-CZ 3.62Å; E25-R617 IonicContact OE2-NH1 2.73Å; E25-R617 PolarHBondContact OE2-NH1 2.83Å; E25-R617 IonicContact OE2-NH2 3.61Å; L338-R617 WeakPolarHBondContact O-CD 3.48Å; L338-R617 PolarHBondContact O-NE 3.46Å; D339-R617 IonicContact OD1-CZ 3.09Å; D339-R617 IonicContact OD1-NE 3.05Å; D339-R617 PolarHBondContact OD1-NE 3.3Å; D339-R617 VanDerWaalsContact OD1-NE 3.09Å; D339-R617 IonicContact OD1-NH2 2.99Å; D339-R617 PolarHBondContact OD1-NH2 2.96Å; F348-R617 HydrophobicContact CE2-CB 3.81Å; F348-R617 HydrophobicContact CZ-CB 3.93Å; L613-R617 WeakPolarHBondContact O-CB 3.35Å; L613-R617 PolarHBondContact O-N 2.94Å; L615-R617 VanDerWaalsContact C-N 3.28Å; L615-R617 PolarHBondContact O-N 2.99Å; R617-D619 PolarHBondContact O-N 2.7Å
618K96.4Very high97.9Very high139 Ų13923.5 Ų23.560%0.60412%0.12SC*.THydrogen-bonded Turntrans-67.2-28.3-177.5-59.1178.5-176.5179.20112.6L615 I616L615-K618 PolarHBondContact O-N 3.03Å; I616-K618 PolarHBondContact O-N 2.95Å; I616-K618 VanDerWaalsContact O-N 3.1Å
619D97.6Very high97.8Very high5 Ų523.4 Ų23.43%0.02712%0.119CC..THydrogen-bonded Turntrans-109.1-2.7-171.4-59.9-39.3000112.2S30 F31 V571 R574 I616 R617 I621 L622 L623S30-D619 WeakPolarHBondContact CB-OD1 3.48Å; S30-D619 VanDerWaalsContact OG-CG 3.24Å; S30-D619 PolarHBondContact OG-OD1 3.09Å; F31-D619 HydrophobicContact CE1-CB 4.18Å; V571-D619 HydrophobicContact CG2-CB 3.88Å; R574-D619 IonicContact NH1-OD2 3.02Å; R574-D619 PolarHBondContact NH1-OD2 2.99Å; I616-D619 CarbonylContact O-C 3.56Å; I616-D619 PolarHBondContact O-N 2.76Å; R617-D619 PolarHBondContact O-N 2.7Å; D619-I621 PolarHBondContact O-N 2.88Å; D619-L622 PolarHBondContact O-N 2.98Å; D619-L622 VanDerWaalsContact O-N 3.13Å; D619-L623 HydrophobicContact CB-CD1 4.14Å; D619-L623 HydrophobicContact CB-CG 4.4Å; D619-L623 WeakPolarHBondContact O-CB 3.41Å; D619-L623 WeakPolarHBondContact O-CG 3.26Å; D619-L623 PolarHBondContact O-N 3.4Å
620A98.1Very high97.6Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-57.8-44.7-169.400000113T317 L338 F348 I616 T624T317-A620 HydrophobicContact CG2-CB 3.91Å; L338-A620 HydrophobicContact CD2-CB 4.4Å; F348-A620 HydrophobicContact CD1-CB 4.48Å; F348-A620 HydrophobicContact CE1-CB 3.65Å; F348-A620 HydrophobicContact CZ-CB 4.08Å; I616-A620 PolarHBondContact O-N 3.39Å; A620-T624 WeakPolarHBondContact O-CG2 3.36Å; A620-T624 PolarHBondContact O-N 2.9Å; A620-T624 PolarHBondContact O-OG1 3.39Å
621I98.1Very high97.4Very high1 Ų121.1 Ų21.11%0.00511%0.109CC..Hα-helixtrans-66.6-45.1177-69.1-63.3000111.1M22 E25 R26 T317 R318 V321 D619 L623 T624 D625M22-I621 HydrophobicContact CE-CD1 4.18Å; M22-I621 HydrophobicContact SD-CD1 4.02Å; M22-I621 HydrophobicContact SD-CG1 4.32Å; M22-I621 HydrophobicContact SD-CG2 3.88Å; E25-I621 HydrophobicContact CB-CB 3.97Å; E25-I621 HydrophobicContact CB-CG1 3.76Å; E25-I621 HydrophobicContact CB-CG2 4.32Å; E25-I621 HydrophobicContact CG-CG1 4.1Å; R26-I621 HydrophobicContact CG-CG2 3.89Å; T317-I621 HydrophobicContact CG2-CD1 4Å; R318-I621 HydrophobicContact CG-CD1 4.1Å; V321-I621 HydrophobicContact CB-CD1 4.48Å; V321-I621 HydrophobicContact CG2-CD1 3.75Å; V321-I621 HydrophobicContact CG2-CG1 3.78Å; D619-I621 PolarHBondContact O-N 2.88Å; I621-L623 VanDerWaalsContact C-N 3.33Å; I621-L623 PolarHBondContact O-N 3.49Å; I621-T624 PolarHBondContact O-N 3.42Å; I621-T624 PolarHBondContact O-OG1 3.26Å; I621-D625 WeakPolarHBondContact O-CB 3.47Å; I621-D625 PolarHBondContact O-N 3.41Å
622L98Very high97.1Very high2 Ų218.4 Ų18.41%0.019%0.093CC..Hα-helixtrans-60.1-42.6179.4-57.4179.9000112.1Q29 F31 V33 D619 D625 A626Q29-L622 HydrophobicContact CB-CD1 4.29Å; Q29-L622 HydrophobicContact CG-CD1 4.26Å; Q29-L622 HydrophobicContact CG-CD2 3.99Å; F31-L622 HydrophobicContact CE1-CB 3.86Å; F31-L622 HydrophobicContact CE1-CD1 4.29Å; F31-L622 HydrophobicContact CE2-CB 4.49Å; F31-L622 HydrophobicContact CZ-CB 3.61Å; V33-L622 HydrophobicContact CG2-CB 3.85Å; V33-L622 HydrophobicContact CG2-CD2 3.95Å; V33-L622 HydrophobicContact CG2-CG 4.39Å; D619-L622 PolarHBondContact O-N 2.98Å; D619-L622 VanDerWaalsContact O-N 3.13Å; L622-D625 PolarHBondContact O-N 3.21Å; L622-A626 PolarHBondContact O-N 3.34Å
623L98.6Very high96.8Very high0 Ų018.2 Ų18.20%09%0.092CC..Hα-helixtrans-61.6-49.3174.3-72.4166.2000110.9F31 L36 L351 Y355 V571 L575 I616 D619 I621 D625 A626F31-L623 HydrophobicContact CE1-CD2 4.29Å; F31-L623 HydrophobicContact CE1-CG 4.31Å; F31-L623 HydrophobicContact CZ-CD2 3.91Å; F31-L623 HydrophobicContact CZ-CG 4.07Å; L36-L623 HydrophobicContact CD2-CD2 4.12Å; L351-L623 HydrophobicContact CD2-CB 3.93Å; L351-L623 HydrophobicContact CD2-CD1 3.94Å; Y355-L623 HydrophobicContact CE2-CB 4.3Å; Y355-L623 HydrophobicContact CE2-CD2 4.17Å; Y355-L623 PolarHBondContact OH-O 3.46Å; V571-L623 HydrophobicContact CG1-CD2 4.16Å; V571-L623 HydrophobicContact CG2-CD1 4.08Å; V571-L623 HydrophobicContact CG2-CD2 3.97Å; V571-L623 HydrophobicContact CG2-CG 4.24Å; L575-L623 HydrophobicContact CD1-CD1 4.02Å; L575-L623 HydrophobicContact CD1-CD2 3.94Å; L575-L623 HydrophobicContact CD2-CD1 4.12Å; L575-L623 HydrophobicContact CG-CD1 4.31Å; I616-L623 HydrophobicContact CG2-CD1 4.36Å; D619-L623 HydrophobicContact CB-CD1 4.14Å; D619-L623 HydrophobicContact CB-CG 4.4Å; D619-L623 WeakPolarHBondContact O-CB 3.41Å; D619-L623 WeakPolarHBondContact O-CG 3.26Å; D619-L623 PolarHBondContact O-N 3.4Å; I621-L623 VanDerWaalsContact C-N 3.33Å; I621-L623 PolarHBondContact O-N 3.49Å; L623-D625 VanDerWaalsContact C-N 3.27Å; L623-D625 PolarHBondContact O-N 3.17Å; L623-A626 WeakPolarHBondContact O-CB 3.32Å; L623-A626 PolarHBondContact O-N 3.16Å; L623-A626 VanDerWaalsContact O-N 3.16Å
624T98.3Very high96.7Very high0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-64.7-33176.863.30000113V314 T317 L351 A620 I621 A626 F627V314-T624 WeakPolarHBondContact CG2-O 3.4Å; T317-T624 HydrophobicContact CG2-CG2 4.06Å; L351-T624 HydrophobicContact CD1-CG2 4.03Å; L351-T624 HydrophobicContact CD2-CG2 4.44Å; A620-T624 WeakPolarHBondContact O-CG2 3.36Å; A620-T624 PolarHBondContact O-N 2.9Å; A620-T624 PolarHBondContact O-OG1 3.39Å; I621-T624 PolarHBondContact O-N 3.42Å; I621-T624 PolarHBondContact O-OG1 3.26Å; T624-A626 VanDerWaalsContact C-N 3.32Å; T624-A626 PolarHBondContact O-N 3.38Å; T624-F627 PolarHBondContact O-N 3.48Å
625D97.7Very high96.6Very high6 Ų615.5 Ų15.53%0.0327%0.073CC..Hα-helixtrans-67.9-33.6176.5-79.7-21.7000110.9R7 R26 V33 R318 I621 L622 L623 F627 D628R7-D625 VanDerWaalsContact CZ-O 3.31Å; R7-D625 PolarHBondContact NH1-O 3.3Å; R7-D625 VanDerWaalsContact NH1-O 3.13Å; R7-D625 IonicContact NH1-OD1 2.74Å; R7-D625 PolarHBondContact NH2-O 3.03Å; R26-D625 IonicContact CZ-OD2 3.58Å; R26-D625 IonicContact NE-OD2 3.35Å; R26-D625 PolarHBondContact NE-OD2 3.11Å; R26-D625 IonicContact NH2-OD1 3.59Å; R26-D625 PolarHBondContact NH2-OD1 3.44Å; R26-D625 IonicContact NH2-OD2 2.83Å; R26-D625 PolarHBondContact NH2-OD2 2.86Å; R26-D625 VanDerWaalsContact NH2-OD2 3.17Å; V33-D625 HydrophobicContact CG1-CB 4.19Å; R318-D625 IonicContact CZ-OD1 2.76Å; R318-D625 IonicContact NE-OD1 3.96Å; R318-D625 IonicContact NH2-OD1 3.23Å; R318-D625 PolarHBondContact NH2-OD1 3.34Å; I621-D625 WeakPolarHBondContact O-CB 3.47Å; I621-D625 PolarHBondContact O-N 3.41Å; L622-D625 PolarHBondContact O-N 3.21Å; L623-D625 VanDerWaalsContact C-N 3.27Å; L623-D625 PolarHBondContact O-N 3.17Å; D625-F627 PolarHBondContact O-N 2.92Å; D625-F627 VanDerWaalsContact O-N 3.1Å; D625-D628 PolarHBondContact O-N 3.21Å
626A98.3Very high96.6Very high1 Ų112.4 Ų12.41%0.0086%0.057CC..Hα-helixtrans-61.6-18.4177.500000114.5V33 L36 T37 L40 L622 L623 T624 D628V33-A626 HydrophobicContact CG1-CB 4.1Å; L36-A626 HydrophobicContact CB-CB 4.04Å; L36-A626 HydrophobicContact CD2-CB 3.63Å; L36-A626 HydrophobicContact CG-CB 3.71Å; T37-A626 WeakPolarHBondContact OG1-CA 3.42Å; T37-A626 PolarHBondContact OG1-O 2.82Å; L40-A626 HydrophobicContact CD1-CB 4.33Å; L622-A626 PolarHBondContact O-N 3.34Å; L623-A626 WeakPolarHBondContact O-CB 3.32Å; L623-A626 PolarHBondContact O-N 3.16Å; L623-A626 VanDerWaalsContact O-N 3.16Å; T624-A626 VanDerWaalsContact C-N 3.32Å; T624-A626 PolarHBondContact O-N 3.38Å; A626-D628 PolarHBondContact O-N 3.05Å
627F98.3Very high96.6Very high11 Ų1112.4 Ų12.45%0.0486%0.057CC..THydrogen-bonded Turntrans-70.2-15.9171-61.8-46.5000113.8L40 R108 Q310 V314 L351 S354 Y355 T624 D625 F629L40-F627 HydrophobicContact CD1-CD1 3.94Å; L40-F627 HydrophobicContact CD1-CE1 4.25Å; R108-F627 PolarHBondContact NH2-O 3.3Å; Q310-F627 HydrophobicContact CB-CD1 4.38Å; Q310-F627 HydrophobicContact CB-CD2 3.97Å; Q310-F627 HydrophobicContact CB-CE1 4.49Å; Q310-F627 HydrophobicContact CB-CE2 4.05Å; Q310-F627 HydrophobicContact CB-CG 4.14Å; Q310-F627 HydrophobicContact CB-CZ 4.33Å; Q310-F627 HydrophobicContact CG-CD1 4.1Å; Q310-F627 HydrophobicContact CG-CD2 4.35Å; Q310-F627 HydrophobicContact CG-CE1 3.86Å; Q310-F627 HydrophobicContact CG-CE2 4.1Å; Q310-F627 HydrophobicContact CG-CG 4.35Å; Q310-F627 HydrophobicContact CG-CZ 3.86Å; V314-F627 HydrophobicContact CG2-CD2 3.83Å; L351-F627 HydrophobicContact CD1-CE2 3.7Å; L351-F627 HydrophobicContact CD1-CZ 3.95Å; S354-F627 WeakPolarHBondContact OG-CZ 3.39Å; Y355-F627 HydrophobicContact CD2-CE1 4.25Å; Y355-F627 AromaticContact CD2-CZ 3.86Å; Y355-F627 HydrophobicContact CD2-CZ 3.86Å; Y355-F627 HydrophobicContact CE1-CE1 4.09Å; Y355-F627 AromaticContact CE2-CE1 3.77Å; Y355-F627 HydrophobicContact CE2-CE1 3.77Å; Y355-F627 HydrophobicContact CE2-CE2 4.23Å; Y355-F627 AromaticContact CE2-CZ 3.36Å; Y355-F627 HydrophobicContact CE2-CZ 3.36Å; Y355-F627 AromaticContact CZ-CE1 3.68Å; Y355-F627 AromaticContact CZ-CZ 3.76Å; T624-F627 PolarHBondContact O-N 3.48Å; D625-F627 PolarHBondContact O-N 2.92Å; D625-F627 VanDerWaalsContact O-N 3.1Å; F627-F629 HydrophobicContact CB-CD2 3.71Å; F627-F629 HydrophobicContact CB-CE2 3.55Å; F627-F629 HydrophobicContact CG-CE2 4.25Å; F627-F629 PolarHBondContact O-N 3.47Å
628D96.9Very high96.6Very high3 Ų311.2 Ų11.22%0.0165%0.053CC..  trans53.646.9170.8-156.768.8000113.5R7 T37 R50 R51 R108 D625 A626R7-D628 IonicContact CZ-OD1 3.64Å; R7-D628 IonicContact NE-OD1 2.93Å; R7-D628 PolarHBondContact NE-OD1 3.35Å; R7-D628 IonicContact NH2-OD1 2.96Å; R7-D628 PolarHBondContact NH2-OD1 3.02Å; T37-D628 HydrophobicContact CG2-CB 3.64Å; R50-D628 IonicContact CZ-OD2 2.88Å; R50-D628 PolarHBondContact NH1-O 3.18Å; R50-D628 IonicContact NH1-OD2 2.75Å; R50-D628 PolarHBondContact NH1-OD2 3.15Å; R50-D628 IonicContact NH2-OD2 2.75Å; R50-D628 PolarHBondContact NH2-OD2 3.3Å; R51-D628 IonicContact CZ-OD1 3.56Å; R51-D628 IonicContact CZ-OD2 3.7Å; R51-D628 IonicContact NE-OD1 3.36Å; R51-D628 IonicContact NE-OD2 3.54Å; R51-D628 PolarHBondContact NE-OD2 2.98Å; R51-D628 IonicContact NH2-OD1 2.79Å; R51-D628 PolarHBondContact NH2-OD1 3.41Å; R51-D628 IonicContact NH2-OD2 2.69Å; R51-D628 PolarHBondContact NH2-OD2 3.39Å; R108-D628 PolarHBondContact NH2-O 3.03Å; D625-D628 PolarHBondContact O-N 3.21Å; A626-D628 PolarHBondContact O-N 3.05Å
629F96.4Very high96.6Very high1 Ų14.6 Ų4.60%0.0042%0.024CC..  trans-85.4134.4168-64-71000110.8R108 P307 Q310 K311 V314 F627 L634R108-F629 HydrophobicContact CG-CE1 4.47Å; P307-F629 HydrophobicContact CB-CE1 4.45Å; P307-F629 HydrophobicContact CB-CZ 4.2Å; Q310-F629 HydrophobicContact CB-CE2 3.69Å; Q310-F629 HydrophobicContact CB-CZ 4.08Å; K311-F629 HydrophobicContact CD-CD1 4.4Å; K311-F629 HydrophobicContact CD-CE1 4.27Å; K311-F629 VanDerWaalsContact CE-CD1 3.42Å; K311-F629 HydrophobicContact CG-CD1 3.99Å; K311-F629 HydrophobicContact CG-CD2 3.99Å; K311-F629 HydrophobicContact CG-CE1 3.9Å; K311-F629 HydrophobicContact CG-CE2 3.87Å; K311-F629 HydrophobicContact CG-CG 4.05Å; K311-F629 HydrophobicContact CG-CZ 3.83Å; V314-F629 HydrophobicContact CG2-CD2 4.13Å; F627-F629 HydrophobicContact CB-CD2 3.71Å; F627-F629 HydrophobicContact CB-CE2 3.55Å; F627-F629 HydrophobicContact CG-CE2 4.25Å; F627-F629 PolarHBondContact O-N 3.47Å; F629-L634 HydrophobicContact CB-CD1 4.35Å; F629-L634 HydrophobicContact CB-CD2 3.92Å; F629-L634 HydrophobicContact CB-CG 3.88Å; F629-L634 HydrophobicContact CG-CD2 4.31Å
630T93.8Very high96.5Very high15 Ų154.4 Ų4.49%0.0922%0.023CC..  trans-78.6163.6169.880.50000111.2H58 E632 C633 L634H58-T630 PolarHBondContact CE1-OG1 2.79Å; T630-E632 VanDerWaalsContact C-N 3.32Å; T630-E632 VanDerWaalsContact CB-OE2 3.27Å; T630-E632 WeakPolarHBondContact CB-OE2 3.49Å; T630-E632 PolarHBondContact O-N 3.47Å; T630-E632 PolarHBondContact OG1-N 3.47Å; T630-E632 PolarHBondContact OG1-OE2 3.18Å; T630-C633 WeakPolarHBondContact O-CB 3.45Å; T630-C633 PolarHBondContact O-N 3.31Å; T630-C633 PolarHBondContact OG1-N 2.91Å; T630-L634 WeakPolarHBondContact O-CG 3.44Å; T630-L634 PolarHBondContact O-N 3.05Å
631D93.5Very high96.3Very high3 Ų37 Ų72%0.0163%0.033CC..Hα-helixtrans-68.1-32.2178.9-71.6-11.6000112L10 R318 C633 L634 N635 C640 Y641L10-D631 HydrophobicContact CD1-CB 4.26Å; L10-D631 HydrophobicContact CD2-CB 3.98Å; L10-D631 HydrophobicContact CG-CB 3.64Å; R318-D631 IonicContact NH1-OD1 2.8Å; D631-C633 VanDerWaalsContact C-N 3.32Å; D631-L634 PolarHBondContact O-N 3.17Å; D631-N635 WeakPolarHBondContact O-CA 3.44Å; D631-N635 PolarHBondContact O-N 3.29Å; D631-C640 WeakPolarHBondContact OD1-CA 3.43Å; D631-Y641 PolarHBondContact OD1-N 3.38Å; D631-Y641 PolarHBondContact OD2-N 2.68Å
632E91.9Very high96.1Very high38 Ų387.2 Ų7.218%0.1783%0.034CC..Hα-helixtrans-64-38.8171.7-59.578-171.200111.8L10 H58 R65 T630L10-E632 HydrophobicContact CD2-CG 3.9Å; H58-E632 IonicContact CE1-OE2 2.85Å; H58-E632 IonicContact ND1-OE2 3.51Å; R65-E632 PolarHBondContact NH1-O 3.06Å; T630-E632 VanDerWaalsContact C-N 3.32Å; T630-E632 VanDerWaalsContact CB-OE2 3.27Å; T630-E632 WeakPolarHBondContact CB-OE2 3.49Å; T630-E632 PolarHBondContact O-N 3.47Å; T630-E632 PolarHBondContact OG1-N 3.47Å; T630-E632 PolarHBondContact OG1-OE2 3.18Å
633C93.1Very high96Very high0 Ų07.1 Ų7.10%03%0.034CC..Hα-helixtrans-68-48.9177.1-1770000110.4R65 R108 A109 S111 K311 T630 D631 N635R65-C633 PolarHBondContact NH1-O 2.88Å; R108-C633 PolarHBondContact O-SG 3.44Å; A109-C633 WeakPolarHBondContact O-CA 3.41Å; S111-C633 PolarHBondContact OG-O 2.99Å; K311-C633 WeakPolarHBondContact CE-SG 3.35Å; K311-C633 PolarHBondContact NZ-SG 3.41Å; T630-C633 WeakPolarHBondContact O-CB 3.45Å; T630-C633 PolarHBondContact O-N 3.31Å; T630-C633 PolarHBondContact OG1-N 2.91Å; D631-C633 VanDerWaalsContact C-N 3.32Å; C633-N635 VanDerWaalsContact C-N 3.28Å; C633-N635 PolarHBondContact O-N 3.38Å
634L95.6Very high95.8Very high4 Ų48 Ų82%0.0214%0.038CC..Hα-helixtrans-61.6-37.1176.7-68.9170.7000112.4K311 V314 I315 R318 F629 T630 D631 S636 G639K311-L634 HydrophobicContact CB-CD2 3.87Å; K311-L634 HydrophobicContact CG-CD2 3.77Å; V314-L634 HydrophobicContact CB-CD2 4.29Å; V314-L634 HydrophobicContact CG1-CD1 3.81Å; V314-L634 HydrophobicContact CG1-CD2 4.1Å; I315-L634 HydrophobicContact CD1-CD2 4.46Å; I315-L634 HydrophobicContact CG1-CD2 4.17Å; R318-L634 VanDerWaalsContact NH1-CD1 3.33Å; F629-L634 HydrophobicContact CB-CD1 4.35Å; F629-L634 HydrophobicContact CB-CD2 3.92Å; F629-L634 HydrophobicContact CB-CG 3.88Å; F629-L634 HydrophobicContact CG-CD2 4.31Å; T630-L634 WeakPolarHBondContact O-CG 3.44Å; T630-L634 PolarHBondContact O-N 3.05Å; D631-L634 PolarHBondContact O-N 3.17Å; L634-S636 PolarHBondContact O-N 3.41Å; L634-G639 VanDerWaalsContact CD1-O 3.31Å; L634-G639 WeakPolarHBondContact CD1-O 3.26Å
635N95.5Very high95.7Very high5 Ų58 Ų83%0.0274%0.039CC..THydrogen-bonded Turntrans48.346.7-175.7-164.150.7000112.1R65 Y69 D631 C633R65-N635 PolarHBondContact O-OD1 3.39Å; Y69-N635 WeakPolarHBondContact CE2-ND2 3.48Å; Y69-N635 WeakPolarHBondContact CE2-O 3.28Å; Y69-N635 PolarHBondContact OH-ND2 2.92Å; Y69-N635 VanDerWaalsContact OH-ND2 3.12Å; Y69-N635 PolarHBondContact OH-O 3.16Å; D631-N635 WeakPolarHBondContact O-CA 3.44Å; D631-N635 PolarHBondContact O-N 3.29Å; C633-N635 VanDerWaalsContact C-N 3.28Å; C633-N635 PolarHBondContact O-N 3.38Å
636S97.3Very high95.7Very high2 Ų212 Ų121%0.0145%0.054CC..  trans-133.7128.6-172.7176.10000110.8I315 S421 L634 L638 G639I315-S636 WeakPolarHBondContact CG2-OG 3.37Å; S421-S636 VanDerWaalsContact O-CB 3.25Å; S421-S636 WeakPolarHBondContact O-CB 3.31Å; S421-S636 PolarHBondContact O-OG 3.11Å; L634-S636 PolarHBondContact O-N 3.41Å; S636-L638 VanDerWaalsContact C-N 3.28Å; S636-L638 PolarHBondContact O-N 3.42Å; S636-L638 PolarHBondContact OG-N 3.5Å; S636-G639 PolarHBondContact OG-N 3.06Å; S636-G639 VanDerWaalsContact OG-N 3.07Å
637A96.6Very high95.5Very high0 Ų015.5 Ų15.50%07%0.07CC..SBendtrans-67.5-30.7171.200000112.3L420 R648 L649 W652L420-A637 PolarHBondContact O-N 3.25Å; A637-R648 HydrophobicContact CB-CG 4.09Å; A637-L649 HydrophobicContact CB-CB 4.12Å; A637-L649 HydrophobicContact CB-CD1 4.12Å; A637-W652 HydrophobicContact CB-CD2 4.18Å; A637-W652 HydrophobicContact CB-CE3 3.94Å; A637-W652 HydrophobicContact CB-CZ3 4.2Å
638L98.1Very high95.3Very high0 Ų015 Ų150%07%0.068CC..SBendtrans-82-29.2-177.9-53.8-169.6000113.1I315 Y319 C412 H415 S421 S636 V645 L649I315-L638 HydrophobicContact CG2-CB 3.92Å; Y319-L638 HydrophobicContact CD1-CD1 4.46Å; Y319-L638 HydrophobicContact CD2-CB 4.12Å; Y319-L638 HydrophobicContact CD2-CD1 4.31Å; Y319-L638 HydrophobicContact CD2-CD2 4.01Å; Y319-L638 HydrophobicContact CD2-CG 4.36Å; Y319-L638 HydrophobicContact CE2-CD2 4.02Å; Y319-L638 HydrophobicContact CG-CB 4.25Å; Y319-L638 HydrophobicContact CG-CD1 4.26Å; C412-L638 HydrophobicContact CB-CD1 4.12Å; H415-L638 HydrophobicContact CB-CD1 3.93Å; H415-L638 HydrophobicContact CB-CD2 4.14Å; S421-L638 VanDerWaalsContact CB-CD1 3.46Å; S636-L638 VanDerWaalsContact C-N 3.28Å; S636-L638 PolarHBondContact O-N 3.42Å; S636-L638 PolarHBondContact OG-N 3.5Å; L638-V645 HydrophobicContact CB-CG1 4.39Å; L638-V645 HydrophobicContact CD2-CG1 3.39Å; L638-V645 HydrophobicContact CG-CG1 4.47Å; L638-V645 WeakPolarHBondContact O-CG2 3.36Å; L638-L649 HydrophobicContact CD2-CD2 4.14Å
639G96.9Very high95.3Very high0 Ų015.8 Ų15.80%07%0.072CC..SBendtrans-93.211.3-174.500000115R318 L634 S636R318-G639 VanDerWaalsContact CD-O 3.24Å; R318-G639 WeakPolarHBondContact CD-O 3.32Å; R318-G639 PolarHBondContact NH1-O 2.75Å; L634-G639 VanDerWaalsContact CD1-O 3.31Å; L634-G639 WeakPolarHBondContact CD1-O 3.26Å; S636-G639 PolarHBondContact OG-N 3.06Å; S636-G639 VanDerWaalsContact OG-N 3.07Å
640C95.1Very high95.3Very high1 Ų122.2 Ų22.21%0.00710%0.1CC..  trans-58.5141.9-176.455.20000113.6D631 D642 G643 R648D631-C640 WeakPolarHBondContact OD1-CA 3.43Å; C640-D642 VanDerWaalsContact C-N 3.34Å; C640-D642 PolarHBondContact O-N 3.42Å; C640-G643 PolarHBondContact O-N 3.1Å; C640-R648 PolarHBondContact SG-NH1 3.27Å
641Y94.9Very high95.3Very high54 Ų5424.2 Ų24.221%0.21211%0.109CC..THydrogen-bonded Turntrans-62.7-38.6-176.4-176.5-94.8000113R26 D631 G643R26-Y641 VanDerWaalsContact CZ-CE2 3.44Å; R26-Y641 VanDerWaalsContact CZ-CZ 3.41Å; R26-Y641 PolarHBondContact NH1-O 2.86Å; R26-Y641 PolarHBondContact NH2-O 2.93Å; D631-Y641 PolarHBondContact OD1-N 3.38Å; D631-Y641 PolarHBondContact OD2-N 2.68Å; Y641-G643 VanDerWaalsContact C-N 3.34Å; Y641-G643 PolarHBondContact O-N 3.19Å
642D94.1Very high95.3Very high5 Ų525 Ų253%0.02711%0.111CC..THydrogen-bonded Turntrans-75-18.5-177.854.133.3000114.4S9 H19 C640 N644 R648S9-D642 PolarHBondContact OG-OD2 2.97Å; H19-D642 WeakPolarHBondContact CB-O 3.26Å; H19-D642 PolarHBondContact N-O 3.03Å; C640-D642 VanDerWaalsContact C-N 3.34Å; C640-D642 PolarHBondContact O-N 3.42Å; D642-N644 PolarHBondContact OD1-N 3.05Å; D642-R648 IonicContact OD1-CZ 2.93Å; D642-R648 IonicContact OD1-NH1 2.69Å; D642-R648 PolarHBondContact OD1-NH1 3.1Å; D642-R648 IonicContact OD1-NH2 3.75Å; D642-R648 PolarHBondContact OD1-NH2 2.73Å; D642-R648 IonicContact OD2-CZ 2.55Å; D642-R648 IonicContact OD2-NH1 3.87Å; D642-R648 IonicContact OD2-NH2 3.69Å; D642-R648 PolarHBondContact OD2-NH2 3.43Å
643G95.1Very high95.5Very high1 Ų125.2 Ų25.21%0.0112%0.119CC..  trans82.24.9-177.900000115.5I322 C640 Y641 V645I322-G643 WeakPolarHBondContact CD1-O 3.43Å; I322-G643 WeakPolarHBondContact CG1-O 3.4Å; C640-G643 PolarHBondContact O-N 3.1Å; Y641-G643 VanDerWaalsContact C-N 3.34Å; Y641-G643 PolarHBondContact O-N 3.19Å; G643-V645 PolarHBondContact O-N 3.34Å
644N95.6Very high95.5Very high17 Ų1730.4 Ų30.49%0.09114%0.143CC..  trans-80.864.5177.5-61.9-40000111W14 Q17 D642 R648W14-N644 HydrophobicContact CB-CB 4.02Å; W14-N644 PolarHBondContact O-ND2 2.92Å; Q17-N644 PolarHBondContact O-ND2 3.4Å; D642-N644 PolarHBondContact OD1-N 3.05Å; N644-R648 WeakPolarHBondContact O-CB 3.25Å; N644-R648 PolarHBondContact O-N 3.03Å; N644-R648 PolarHBondContact O-NH1 2.71Å
645V96Very high95.3Very high1 Ų135.4 Ų35.41%0.00617%0.165CC..Hα-helixtrans-71.4-46.6-167.7171.10000112.4Y319 I322 L638 G643 R648 L649Y319-V645 HydrophobicContact CD2-CG1 3.83Å; Y319-V645 HydrophobicContact CD2-CG2 4.4Å; Y319-V645 HydrophobicContact CE2-CG1 3.93Å; I322-V645 HydrophobicContact CB-CG2 4.32Å; I322-V645 HydrophobicContact CG1-CG2 4.21Å; I322-V645 HydrophobicContact CG2-CB 4.24Å; I322-V645 HydrophobicContact CG2-CG2 4.18Å; L638-V645 HydrophobicContact CB-CG1 4.39Å; L638-V645 HydrophobicContact CD2-CG1 3.39Å; L638-V645 HydrophobicContact CG-CG1 4.47Å; L638-V645 WeakPolarHBondContact O-CG2 3.36Å; G643-V645 PolarHBondContact O-N 3.34Å; V645-R648 PolarHBondContact O-N 3.1Å; V645-L649 VanDerWaalsContact O-CB 3.25Å; V645-L649 WeakPolarHBondContact O-CB 3.43Å; V645-L649 PolarHBondContact O-N 3.3Å
646Y96.8Very high95.2Very high89 Ų8936.3 Ų36.335%0.34917%0.172SC..Hα-helixtrans-72.1-42.1-169.5-63.2-58.4000111.9I322 R323 R648 L649 F650I322-Y646 HydrophobicContact CG2-CE2 4.3Å; R323-Y646 WeakPolarHBondContact CD-OH 3.48Å; Y646-R648 VanDerWaalsContact C-N 3.33Å; Y646-R648 PolarHBondContact O-N 3.36Å; Y646-L649 PolarHBondContact O-N 3.44Å; Y646-F650 WeakPolarHBondContact O-CB 3.23Å; Y646-F650 PolarHBondContact O-N 3.01Å
647E94.8Very high94.8Very high75 Ų7538.5 Ų38.535%0.3519%0.186SC..Hα-helixtrans-59.5-46.6176-62.975.4-167.600110.2W14 Q651W14-E647 HydrophobicContact CD2-CB 4.16Å; W14-E647 HydrophobicContact CD2-CG 4.18Å; W14-E647 HydrophobicContact CE3-CG 4.43Å; W14-E647 HydrophobicContact CG-CB 4.27Å; W14-E647 HydrophobicContact CH2-CG 4.37Å; W14-E647 HydrophobicContact CZ2-CB 4.33Å; W14-E647 HydrophobicContact CZ2-CG 4.12Å; E647-Q651 WeakPolarHBondContact O-CB 3.22Å; E647-Q651 PolarHBondContact O-N 3.23Å
648R93.9Very high94.5Very high0 Ų043.1 Ų43.10%021%0.214CC..Hα-helixtrans-66.6-45.7179.2-172169.7-70.9116.4-12.2111.9D12 A637 C640 D642 N644 V645 Y646 F650 Q651 W652D12-R648 IonicContact OD1-NH2 3.36Å; D12-R648 PolarHBondContact OD1-NH2 3.18Å; D12-R648 IonicContact OD2-CZ 2.95Å; D12-R648 IonicContact OD2-NE 2.76Å; D12-R648 PolarHBondContact OD2-NE 3.31Å; D12-R648 IonicContact OD2-NH2 2.65Å; D12-R648 PolarHBondContact OD2-NH2 2.93Å; A637-R648 HydrophobicContact CB-CG 4.09Å; C640-R648 PolarHBondContact SG-NH1 3.27Å; D642-R648 IonicContact OD1-CZ 2.93Å; D642-R648 IonicContact OD1-NH1 2.69Å; D642-R648 PolarHBondContact OD1-NH1 3.1Å; D642-R648 IonicContact OD1-NH2 3.75Å; D642-R648 PolarHBondContact OD1-NH2 2.73Å; D642-R648 IonicContact OD2-CZ 2.55Å; D642-R648 IonicContact OD2-NH1 3.87Å; D642-R648 IonicContact OD2-NH2 3.69Å; D642-R648 PolarHBondContact OD2-NH2 3.43Å; N644-R648 WeakPolarHBondContact O-CB 3.25Å; N644-R648 PolarHBondContact O-N 3.03Å; N644-R648 PolarHBondContact O-NH1 2.71Å; V645-R648 PolarHBondContact O-N 3.1Å; Y646-R648 VanDerWaalsContact C-N 3.33Å; Y646-R648 PolarHBondContact O-N 3.36Å; R648-F650 VanDerWaalsContact C-N 3.33Å; R648-F650 PolarHBondContact O-N 3.01Å; R648-Q651 PolarHBondContact O-N 3.33Å; R648-W652 HydrophobicContact CG-CZ2 4.34Å; R648-W652 WeakPolarHBondContact O-CB 3.37Å; R648-W652 PolarHBondContact O-N 2.9Å
649L96Very high94.2Very high20 Ų2047.8 Ų47.811%0.10524%0.239CC..Hα-helixtrans-59.8-45.4178-179.263.6000111.2H415 L420 A637 L638 V645 Y646 W652 A653H415-L649 HydrophobicContact CB-CD2 4.41Å; L420-L649 HydrophobicContact CB-CD1 3.85Å; L420-L649 HydrophobicContact CD1-CD1 4.15Å; A637-L649 HydrophobicContact CB-CB 4.12Å; A637-L649 HydrophobicContact CB-CD1 4.12Å; L638-L649 HydrophobicContact CD2-CD2 4.14Å; V645-L649 VanDerWaalsContact O-CB 3.25Å; V645-L649 WeakPolarHBondContact O-CB 3.43Å; V645-L649 PolarHBondContact O-N 3.3Å; Y646-L649 PolarHBondContact O-N 3.44Å; L649-W652 PolarHBondContact O-N 3.49Å; L649-A653 WeakPolarHBondContact O-CB 3.43Å; L649-A653 PolarHBondContact O-N 3.2Å
650F96.2Very high93.7Very high136 Ų13653.8 Ų53.860%0.59628%0.276SS*.Hα-helixtrans-64-47.1178-175.2-113.3000111.6Y646 R648 W652 A653 Q654Y646-F650 WeakPolarHBondContact O-CB 3.23Å; Y646-F650 PolarHBondContact O-N 3.01Å; R648-F650 VanDerWaalsContact C-N 3.33Å; R648-F650 PolarHBondContact O-N 3.01Å; F650-W652 VanDerWaalsContact C-N 3.31Å; F650-W652 PolarHBondContact O-N 2.85Å; F650-A653 WeakPolarHBondContact O-CB 3.45Å; F650-A653 PolarHBondContact O-N 2.76Å; F650-Q654 HydrophobicContact CE1-CG 4.26Å; F650-Q654 HydrophobicContact CZ-CG 4.25Å; F650-Q654 WeakPolarHBondContact O-CG 3.34Å; F650-Q654 PolarHBondContact O-N 2.95Å
651Q93.9Very high93.4Very high58 Ų5859.8 Ų59.827%0.27130%0.304SS..Hα-helixtrans-60.1-40.8177.7-171.5-170.719.500112.1E647 R648 Q654 K655E647-Q651 WeakPolarHBondContact O-CB 3.22Å; E647-Q651 PolarHBondContact O-N 3.23Å; R648-Q651 PolarHBondContact O-N 3.33Å; Q651-Q654 PolarHBondContact O-N 2.97Å; Q651-K655 WeakPolarHBondContact O-CG 3.43Å; Q651-K655 PolarHBondContact O-N 3.1Å
652W94.4Very high92.9Very high20 Ų2065.6 Ų65.68%0.07633%0.333CS..Hα-helixtrans-67.8-40.1177.6-74.927000111.5L10 Y69 L420 A637 R648 L649 F650 Q654 K655L10-W652 HydrophobicContact CD1-CZ2 3.86Å; Y69-W652 HydrophobicContact CE2-CZ3 4.41Å; L420-W652 HydrophobicContact CB-CE3 4.22Å; L420-W652 HydrophobicContact CD1-CB 3.94Å; L420-W652 HydrophobicContact CD2-CB 4.35Å; L420-W652 HydrophobicContact CD2-CE3 4.14Å; A637-W652 HydrophobicContact CB-CD2 4.18Å; A637-W652 HydrophobicContact CB-CE3 3.94Å; A637-W652 HydrophobicContact CB-CZ3 4.2Å; R648-W652 HydrophobicContact CG-CZ2 4.34Å; R648-W652 WeakPolarHBondContact O-CB 3.37Å; R648-W652 PolarHBondContact O-N 2.9Å; L649-W652 PolarHBondContact O-N 3.49Å; F650-W652 VanDerWaalsContact C-N 3.31Å; F650-W652 PolarHBondContact O-N 2.85Å; W652-Q654 VanDerWaalsContact C-N 3.31Å; W652-Q654 PolarHBondContact O-N 3.37Å; W652-K655 PolarHBondContact O-N 2.52Å
653A95.4Very high92.7Very high42 Ų4269.5 Ų69.535%0.34735%0.354SS..Hα-helixtrans-60.9-40.6175.300000111.8L420 L649 F650 K655 S656 N659L420-A653 HydrophobicContact CD1-CB 4.16Å; L649-A653 WeakPolarHBondContact O-CB 3.43Å; L649-A653 PolarHBondContact O-N 3.2Å; F650-A653 WeakPolarHBondContact O-CB 3.45Å; F650-A653 PolarHBondContact O-N 2.76Å; A653-K655 PolarHBondContact O-N 3.02Å; A653-S656 WeakPolarHBondContact O-CB 3.38Å; A653-S656 PolarHBondContact O-N 2.92Å; A653-S656 VanDerWaalsContact O-N 3.13Å; A653-N659 PolarHBondContact O-ND2 3.47Å
654Q94.4Very high92.6Very high108 Ų10875 Ų7551%0.50539%0.389SS..Hα-helixtrans-61.3-30.3177.4-71.9-179.9-53.200113.1F650 Q651 W652 S656 N659F650-Q654 HydrophobicContact CE1-CG 4.26Å; F650-Q654 HydrophobicContact CZ-CG 4.25Å; F650-Q654 WeakPolarHBondContact O-CG 3.34Å; F650-Q654 PolarHBondContact O-N 2.95Å; Q651-Q654 PolarHBondContact O-N 2.97Å; W652-Q654 VanDerWaalsContact C-N 3.31Å; W652-Q654 PolarHBondContact O-N 3.37Å; Q654-S656 PolarHBondContact O-N 3.27Å; Q654-N659 WeakPolarHBondContact CA-ND2 3.36Å; Q654-N659 PolarHBondContact O-ND2 2.9Å
655K91.3Very high92.6Very high110 Ų11075.8 Ų75.848%0.47840%0.399SS..THydrogen-bonded Turntrans-74.4-6.9177.9-68.3175.8-177179.10114.3Q651 W652 A653 P657Q651-K655 WeakPolarHBondContact O-CG 3.43Å; Q651-K655 PolarHBondContact O-N 3.1Å; W652-K655 PolarHBondContact O-N 2.52Å; A653-K655 PolarHBondContact O-N 3.02Å; K655-P657 WeakPolarHBondContact O-CD 3.43Å
656S92.4Very high92.5Very high24 Ų2480.5 Ų80.517%0.16842%0.417CS..  trans-54.3126.2177.1-173.40000110.1A653 Q654 T658 N659A653-S656 WeakPolarHBondContact O-CB 3.38Å; A653-S656 PolarHBondContact O-N 2.92Å; A653-S656 VanDerWaalsContact O-N 3.13Å; Q654-S656 PolarHBondContact O-N 3.27Å; S656-T658 PolarHBondContact O-N 3.27Å; S656-T658 PolarHBondContact OG-OG1 3.15Å; S656-N659 WeakPolarHBondContact O-CB 3.42Å; S656-N659 PolarHBondContact O-N 3.33Å
657P89.1Confident92.3Very high48 Ų4881 Ų8131%0.31242%0.422SS..G310 helixtrans-55.2-28178.2-26.734.6000113F70 K655 N659 T660 Q661F70-P657 HydrophobicContact CB-CG 4.14Å; K655-P657 WeakPolarHBondContact O-CD 3.43Å; P657-N659 PolarHBondContact O-N 3.49Å; P657-T660 PolarHBondContact O-N 3.28Å; P657-T660 PolarHBondContact O-OG1 2.78Å; P657-Q661 WeakPolarHBondContact O-CB 3.31Å; P657-Q661 VanDerWaalsContact O-CG 3.25Å; P657-Q661 WeakPolarHBondContact O-CG 3.47Å; P657-Q661 PolarHBondContact O-N 3.1Å; P657-Q661 VanDerWaalsContact O-N 3.11Å
658T89.3Confident92.4Very high96 Ų9683.3 Ų83.359%0.58943%0.433SS*.G310 helixtrans-64.9-17.8177.660.70000114.3S656S656-T658 PolarHBondContact O-N 3.27Å; S656-T658 PolarHBondContact OG-OG1 3.15Å
659N92Very high92.5Very high98 Ų9890.3 Ų90.352%0.52446%0.461SS..G310 helixtrans-81.1-21179.7-63.3-25.3000112.6A653 Q654 S656 P657A653-N659 PolarHBondContact O-ND2 3.47Å; Q654-N659 WeakPolarHBondContact CA-ND2 3.36Å; Q654-N659 PolarHBondContact O-ND2 2.9Å; S656-N659 WeakPolarHBondContact O-CB 3.42Å; S656-N659 PolarHBondContact O-N 3.33Å; P657-N659 PolarHBondContact O-N 3.49Å
660T88Confident92.4Very high127 Ų12792.2 Ų92.278%0.77947%0.471SS*.THydrogen-bonded Turntrans-110.5-18.1-179.256.20000112.9P657P657-T660 PolarHBondContact O-N 3.28Å; P657-T660 PolarHBondContact O-OG1 2.78Å
661Q87Confident92.3Very high127 Ų12790.5 Ų90.559%0.59346%0.46SS*.SBendtrans-78.9139.8173.1-70.1172-3.500110.6P657P657-Q661 WeakPolarHBondContact O-CB 3.31Å; P657-Q661 VanDerWaalsContact O-CG 3.25Å; P657-Q661 WeakPolarHBondContact O-CG 3.47Å; P657-Q661 PolarHBondContact O-N 3.1Å; P657-Q661 VanDerWaalsContact O-N 3.11Å
662E85.5Confident92.3Very high176 Ų17690.7 Ų90.782%0.82247%0.466SS*.  trans-58.5141.9168.1-71-174.6166.900109.6P664E662-P664 WeakPolarHBondContact O-CD 3.48Å
663N90.3Very high92.3Very high87 Ų8794.8 Ų94.847%0.46549%0.489SS..  trans-62.6111177.7174.3-3.6000108.8A665 Y666 I670N663-A665 PolarHBondContact O-N 2.99Å; N663-A665 VanDerWaalsContact O-N 3.13Å; N663-A665 PolarHBondContact OD1-N 3.21Å; N663-Y666 VanDerWaalsContact O-CB 3.31Å; N663-Y666 WeakPolarHBondContact O-CB 3.47Å; N663-Y666 PolarHBondContact O-N 3.15Å; N663-I670 WeakPolarHBondContact ND2-CD1 3.49Å
664P91.6Very high92.2Very high115 Ų11597.7 Ų97.775%0.74750%0.498SS*.Hα-helixtrans-65.2-24-172.627.1-35.1000112E662 Y666E662-P664 WeakPolarHBondContact O-CD 3.48Å; P664-Y666 VanDerWaalsContact C-N 3.34Å
665A95.4Very high92.1Very high35 Ų3596.9 Ų96.929%0.28949%0.494SS..Hα-helixtrans-83.9-9.9176.800000113.3N663 Y669 I670N663-A665 PolarHBondContact O-N 2.99Å; N663-A665 VanDerWaalsContact O-N 3.13Å; N663-A665 PolarHBondContact OD1-N 3.21Å; A665-Y669 HydrophobicContact CB-CD2 4.16Å; A665-Y669 WeakPolarHBondContact O-CB 3.49Å; A665-Y669 PolarHBondContact O-N 3.37Å; A665-I670 HydrophobicContact CB-CD1 4.36Å; A665-I670 PolarHBondContact O-N 3.33Å
666Y94.3Very high91.9Very high100 Ų10095 Ų9539%0.39250%0.495SS..Iπ-helixtrans-68.2-60.2-172-177.6-102000112N663 P664 E668 I670 R671N663-Y666 VanDerWaalsContact O-CB 3.31Å; N663-Y666 WeakPolarHBondContact O-CB 3.47Å; N663-Y666 PolarHBondContact O-N 3.15Å; P664-Y666 VanDerWaalsContact C-N 3.34Å; Y666-E668 VanDerWaalsContact C-N 3.34Å; Y666-E668 PolarHBondContact O-N 2.79Å; Y666-I670 HydrophobicContact CD2-CB 3.98Å; Y666-I670 HydrophobicContact CD2-CD1 4.49Å; Y666-I670 HydrophobicContact CD2-CG2 3.96Å; Y666-I670 HydrophobicContact CE2-CG2 4.2Å; Y666-I670 PolarHBondContact O-N 3.42Å; Y666-R671 HydrophobicContact CD1-CB 4.27Å; Y666-R671 HydrophobicContact CE1-CB 3.98Å; Y666-R671 HydrophobicContact CE1-CG 4.36Å; Y666-R671 VanDerWaalsContact O-CB 3.24Å; Y666-R671 WeakPolarHBondContact O-CB 3.09Å; Y666-R671 PolarHBondContact O-N 2.82Å
667E93.4Very high91.3Very high98 Ų98101.4 Ų101.446%0.45852%0.516SS..Iπ-helixtrans-64.9-38.3-176.6-70.8-60.8148.500112.6R671 P672E667-R671 IonicContact OE1-NH1 3.44Å; E667-R671 PolarHBondContact OE1-NH1 3.18Å; E667-R671 WeakPolarHBondContact OE2-CD 3.42Å; E667-R671 IonicContact OE2-CZ 3.92Å; E667-R671 IonicContact OE2-NE 3.35Å; E667-R671 IonicContact OE2-NH1 3.49Å; E667-R671 PolarHBondContact OE2-NH1 3.15Å; E667-P672 WeakPolarHBondContact O-CD 3.18Å
668E95.6Very high90.2Very high124 Ų124107.8 Ų107.858%0.57953%0.534SS*.Iπ-helixtrans-79.5-41-174.5-168.5177.9166.500113.2Y666Y666-E668 VanDerWaalsContact C-N 3.34Å; Y666-E668 PolarHBondContact O-N 2.79Å
669Y96Very high89.2Confident147 Ų147108.4 Ų108.458%0.57654%0.542SS*.Iπ-helixtrans-119.2-47.5-170.1-57.5-75.8000113.5A665 L673A665-Y669 HydrophobicContact CB-CD2 4.16Å; A665-Y669 WeakPolarHBondContact O-CB 3.49Å; A665-Y669 PolarHBondContact O-N 3.37Å; Y669-L673 WeakPolarHBondContact O-CB 3.45Å; Y669-L673 PolarHBondContact O-N 3.19Å
670I95.5Very high87.6Confident61 Ų61111.9 Ų111.931%0.31355%0.552SS.*Iπ-helixtrans-77.1-47.4-170.7-57.1170.6000110.8N663 A665 Y666 L673 L674N663-I670 WeakPolarHBondContact ND2-CD1 3.49Å; A665-I670 HydrophobicContact CB-CD1 4.36Å; A665-I670 PolarHBondContact O-N 3.33Å; Y666-I670 HydrophobicContact CD2-CB 3.98Å; Y666-I670 HydrophobicContact CD2-CD1 4.49Å; Y666-I670 HydrophobicContact CD2-CG2 3.96Å; Y666-I670 HydrophobicContact CE2-CG2 4.2Å; Y666-I670 PolarHBondContact O-N 3.42Å; I670-L673 PolarHBondContact O-N 2.98Å; I670-L674 HydrophobicContact CG2-CD1 3.68Å; I670-L674 HydrophobicContact CG2-CG 4.04Å; I670-L674 WeakPolarHBondContact O-CG 3.38Å; I670-L674 PolarHBondContact O-N 3.03Å
671R94.4Very high85.9Confident99 Ų99115.6 Ų115.637%0.37457%0.566SS.*Hα-helixtrans-61.3-48.9-176.5177.8-173.4177.5177.70.9111.4Y666 E667 L673 L674 Q675Y666-R671 HydrophobicContact CD1-CB 4.27Å; Y666-R671 HydrophobicContact CE1-CB 3.98Å; Y666-R671 HydrophobicContact CE1-CG 4.36Å; Y666-R671 VanDerWaalsContact O-CB 3.24Å; Y666-R671 WeakPolarHBondContact O-CB 3.09Å; Y666-R671 PolarHBondContact O-N 2.82Å; E667-R671 IonicContact OE1-NH1 3.44Å; E667-R671 PolarHBondContact OE1-NH1 3.18Å; E667-R671 WeakPolarHBondContact OE2-CD 3.42Å; E667-R671 IonicContact OE2-CZ 3.92Å; E667-R671 IonicContact OE2-NE 3.35Å; E667-R671 IonicContact OE2-NH1 3.49Å; E667-R671 PolarHBondContact OE2-NH1 3.15Å; R671-L673 VanDerWaalsContact C-N 3.32Å; R671-L673 PolarHBondContact O-N 2.7Å; R671-L674 PolarHBondContact O-N 2.67Å; R671-Q675 HydrophobicContact CG-CG 4.35Å; R671-Q675 VanDerWaalsContact NE-NE2 3.14Å; R671-Q675 WeakPolarHBondContact O-CB 3.48Å; R671-Q675 VanDerWaalsContact O-CG 3.26Å; R671-Q675 WeakPolarHBondContact O-CG 3.3Å; R671-Q675 PolarHBondContact O-N 2.96Å
672P93.9Very high85.9Confident63 Ų63115 Ų11541%0.40957%0.565SS.*Hα-helixtrans-61.9-40.3176.7-23.335.5000112.1E667 Q675 S676E667-P672 WeakPolarHBondContact O-CD 3.18Å; P672-Q675 PolarHBondContact O-N 2.8Å; P672-S676 WeakPolarHBondContact O-CB 3.16Å; P672-S676 PolarHBondContact O-N 3.03Å; P672-S676 PolarHBondContact O-OG 3.29Å
673L93.6Very high85.9Confident106 Ų106111.8 Ų111.856%0.55555%0.551SS**Hα-helixtrans-60.7-52.4176.5-175.766.3000110.8Y669 I670 R671 Q675 S676Y669-L673 WeakPolarHBondContact O-CB 3.45Å; Y669-L673 PolarHBondContact O-N 3.19Å; I670-L673 PolarHBondContact O-N 2.98Å; R671-L673 VanDerWaalsContact C-N 3.32Å; R671-L673 PolarHBondContact O-N 2.7Å; L673-Q675 VanDerWaalsContact C-N 3.32Å; L673-Q675 PolarHBondContact O-N 2.75Å; L673-S676 PolarHBondContact O-N 3.38Å; L673-S676 PolarHBondContact O-OG 2.66Å
674L93.5Very high85.7Confident102 Ų102113.2 Ų113.253%0.53456%0.556SS.*Hα-helixtrans-60.6-39.9178.6-68.4177.3000112.4I670 R671 W677 R678I670-L674 HydrophobicContact CG2-CD1 3.68Å; I670-L674 HydrophobicContact CG2-CG 4.04Å; I670-L674 WeakPolarHBondContact O-CG 3.38Å; I670-L674 PolarHBondContact O-N 3.03Å; R671-L674 PolarHBondContact O-N 2.67Å; L674-W677 PolarHBondContact O-N 3.21Å; L674-R678 PolarHBondContact O-N 2.76Å
675Q92.1Very high85.3Confident91 Ų91113.1 Ų113.143%0.42555%0.545SS..Hα-helixtrans-69.2-34.6179.4-73.4-179-10.900112.9R671 P672 L673 W677 R678R671-Q675 HydrophobicContact CG-CG 4.35Å; R671-Q675 VanDerWaalsContact NE-NE2 3.14Å; R671-Q675 WeakPolarHBondContact O-CB 3.48Å; R671-Q675 VanDerWaalsContact O-CG 3.26Å; R671-Q675 WeakPolarHBondContact O-CG 3.3Å; R671-Q675 PolarHBondContact O-N 2.96Å; P672-Q675 PolarHBondContact O-N 2.8Å; L673-Q675 VanDerWaalsContact C-N 3.32Å; L673-Q675 PolarHBondContact O-N 2.75Å; Q675-W677 PolarHBondContact O-N 2.9Å; Q675-R678 WeakPolarHBondContact O-CB 3.47Å; Q675-R678 PolarHBondContact O-N 2.92Å; Q675-R678 VanDerWaalsContact O-N 3.16Å
676S87.4Confident84.7Confident71 Ų71117.9 Ų117.950%0.49756%0.561SS.*Hα-helixtrans-66.6-18.3176.966.30000113.6P672 L673P672-S676 WeakPolarHBondContact O-CB 3.16Å; P672-S676 PolarHBondContact O-N 3.03Å; P672-S676 PolarHBondContact O-OG 3.29Å; L673-S676 PolarHBondContact O-N 3.38Å; L673-S676 PolarHBondContact O-OG 2.66Å
677W79.6Confident84Confident158 Ų158119.1 Ų119.160%0.59857%0.572SS**THydrogen-bonded Turntrans-98.4-6.8177.1-65.555.3000112.6L674 Q675 S679 K680 L681L674-W677 PolarHBondContact O-N 3.21Å; Q675-W677 PolarHBondContact O-N 2.9Å; W677-S679 PolarHBondContact O-N 3.09Å; W677-K680 PolarHBondContact O-N 2.89Å; W677-L681 PolarHBondContact O-N 3.04Å
678R66.5Low83.4Confident183 Ų183120.6 Ų120.669%0.69158%0.58SS**THydrogen-bonded Turntrans-64.2-20.7179.7-98.4-176.2171.8179.1-2.2114.5L674 Q675L674-R678 PolarHBondContact O-N 2.76Å; Q675-R678 WeakPolarHBondContact O-CB 3.47Å; Q675-R678 PolarHBondContact O-N 2.92Å; Q675-R678 VanDerWaalsContact O-N 3.16Å
679S66.8Low82.4Confident108 Ų108120.4 Ų120.476%0.75558%0.58SS**THydrogen-bonded Turntrans-81.7-3.2173.467.60000113.2W677W677-S679 PolarHBondContact O-N 3.09Å
680K59.5Low81.3Confident171 Ų171118.2 Ų118.274%0.74358%0.581SS**THydrogen-bonded Turntrans-116.4-7.2-177.4-63.7-176179.3178.60113.8W677W677-K680 PolarHBondContact O-N 2.89Å
681L52.8Low80Confident205 Ų205123.4 Ų123.4100%1.07361%0.605SS**  trans-102.70167.2-76.6165.1000107.7W677W677-L681 PolarHBondContact O-N 3.04Å

Retrieved 681 of 681 residues in 155.7 ms (Link to these results)

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