A0A087Y993_POEFO Loading...

E3 ubiquitin-protein ligase AMFR

AlphaFold DB , UniProt , Accession A0A087Y993, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 622 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
1M40.3Very low49.6Very low226 Ų226138.9 Ų138.9100%1.11367%0.666SS**  062.30-67.6-153.6-101.600113.8
2P43Very low51.6Low100 Ų100133.9 Ų133.965%0.64965%0.653SS**  trans-108.7-5.3156.534.3-29.5000113.4F5P2-F5 PolarHBondContact O-N 3.32Å
3L44.8Very low54.2Low78 Ų78128.2 Ų128.241%0.40864%0.635SS.*Hα-helixtrans-83.8-18-167.9-66173.5000115.3F5 L6 I431L3-F5 PolarHBondContact O-N 3.47Å; L3-L6 HydrophobicContact CD2-CD1 4.46Å; L3-I431 HydrophobicContact CD1-CD1 4.38Å; L3-I431 HydrophobicContact CD2-CD1 3.64Å
4L49.7Very low56.5Low122 Ų122122.9 Ų122.964%0.63961%0.61SS**Hα-helixtrans-69-19.6171.4-75.6169.7000112.3R8L4-R8 PolarHBondContact O-N 3.44Å
5F47.8Very low58.6Low164 Ų164125.3 Ų125.372%0.71962%0.619SS**Hα-helixtrans-76-36.1-179.6-126.8-86.1000112.3P2 L3 E7 R8 F9P2-F5 PolarHBondContact O-N 3.32Å; L3-F5 PolarHBondContact O-N 3.47Å; F5-E7 VanDerWaalsContact C-N 3.33Å; F5-R8 PolarHBondContact O-N 3.34Å; F5-F9 PolarHBondContact O-N 3.1Å; F5-F9 VanDerWaalsContact O-N 3.08Å
6L48.8Very low60.7Low85 Ų85122.4 Ų122.445%0.44561%0.61SS.*Hα-helixtrans-72-26.6176.8-87.6156.9000113L3 W11L3-L6 HydrophobicContact CD2-CD1 4.46Å; L6-W11 HydrophobicContact CD2-CH2 4.37Å; L6-W11 HydrophobicContact CD2-CZ2 3.73Å; L6-W11 PolarHBondContact O-NE1 3Å
7E49.4Very low62.6Low141 Ų141118.4 Ų118.466%0.65959%0.587SS**Hα-helixtrans-83.3-25.3177.7-141.2167.8-146.700112.5F5F5-E7 VanDerWaalsContact C-N 3.33Å
8R53.2Low64.2Low221 Ų221113.3 Ų113.383%0.83456%0.563SS**Hα-helixtrans-91.9-7.2173.4-99.4175.4176.8169.9-0.8114.6L4 F5 P10L4-R8 PolarHBondContact O-N 3.44Å; F5-R8 PolarHBondContact O-N 3.34Å; R8-P10 VanDerWaalsContact O-CD 3.28Å; R8-P10 WeakPolarHBondContact O-CD 3.48Å
9F47.7Very low65.8Low120 Ų120109.6 Ų109.653%0.52656%0.557SS.*SBendtrans-68.2119.2174.6-136.9-94.1000108F5 W11F5-F9 PolarHBondContact O-N 3.1Å; F5-F9 VanDerWaalsContact O-N 3.08Å; F9-W11 PolarHBondContact O-N 3.08Å
10P57.4Low67.2Low114 Ų114109.6 Ų109.674%0.7456%0.558SS**  trans-70.288.6175.329.1-31.8000107R8R8-P10 VanDerWaalsContact O-CD 3.28Å; R8-P10 WeakPolarHBondContact O-CD 3.48Å
11W63.4Low68.5Low157 Ų157104.5 Ų104.560%0.59553%0.533SS*.PPolyproline II helixtrans-57.4130.9172.6-66.692.6000107.4L6 F9 S13L6-W11 HydrophobicContact CD2-CH2 4.37Å; L6-W11 HydrophobicContact CD2-CZ2 3.73Å; L6-W11 PolarHBondContact O-NE1 3Å; F9-W11 PolarHBondContact O-N 3.08Å; W11-S13 PolarHBondContact O-N 2.73Å
12P74Confident71.1Confident79 Ų7998.3 Ų98.351%0.51351%0.507SS..PPolyproline II helixtrans-52.7135.8177.120.8-30.7000108.3T16P12-T16 WeakPolarHBondContact CB-OG1 3.27Å
13S84.4Confident73.5Confident59 Ų5996.4 Ų96.441%0.41350%0.5SS..PPolyproline II helixtrans-51.2151.5171.773.10000109.8W11 Q15 T16 Y17W11-S13 PolarHBondContact O-N 2.73Å; S13-Q15 PolarHBondContact O-N 3.46Å; S13-Q15 VanDerWaalsContact O-N 3.1Å; S13-T16 WeakPolarHBondContact CA-OG1 3.5Å; S13-T16 PolarHBondContact N-OG1 3.44Å; S13-T16 PolarHBondContact O-N 2.77Å; S13-T16 PolarHBondContact O-OG1 2.86Å; S13-T16 WeakPolarHBondContact OG-CG2 3.34Å; S13-T16 PolarHBondContact OG-N 2.9Å; S13-T16 VanDerWaalsContact OG-N 3.13Å; S13-T16 PolarHBondContact OG-OG1 3.42Å; S13-Y17 PolarHBondContact O-N 3Å
14L86.3Confident75.8Confident54 Ų5496.9 Ų96.928%0.28350%0.502SS..Hα-helixtrans-53.5-35.4176.4-177.872000111.8Y17 T18 M96 K100L14-Y17 PolarHBondContact O-N 3.46Å; L14-T18 HydrophobicContact CD1-CG2 4.29Å; L14-T18 HydrophobicContact CG-CG2 4.27Å; L14-T18 WeakPolarHBondContact O-CB 3.49Å; L14-T18 WeakPolarHBondContact O-CG2 3.07Å; L14-T18 PolarHBondContact O-N 3.19Å; L14-T18 PolarHBondContact O-OG1 3.26Å; L14-M96 HydrophobicContact CD1-CB 4.47Å; L14-M96 HydrophobicContact CD1-CE 3.76Å; L14-K100 HydrophobicContact CD2-CB 4.37Å; L14-K100 HydrophobicContact CD2-CD 3.83Å; L14-K100 HydrophobicContact CD2-CG 3.58Å
15Q89.2Confident77.9Confident160 Ų16093 Ų9375%0.74848%0.482SS*.Hα-helixtrans-63.9-45176.7-67.9177.9-24.300112S13 T18 G19S13-Q15 PolarHBondContact O-N 3.46Å; S13-Q15 VanDerWaalsContact O-N 3.1Å; Q15-T18 WeakPolarHBondContact CA-OG1 3.17Å; Q15-T18 PolarHBondContact O-OG1 3.4Å; Q15-G19 PolarHBondContact O-N 3.43Å
16T91.2Very high80.1Confident78 Ų7888 Ų8848%0.47947%0.47SS..Hα-helixtrans-67.1-38.9176.744.60000112.2P12 S13 L20P12-T16 WeakPolarHBondContact CB-OG1 3.27Å; S13-T16 WeakPolarHBondContact CA-OG1 3.5Å; S13-T16 PolarHBondContact N-OG1 3.44Å; S13-T16 PolarHBondContact O-N 2.77Å; S13-T16 PolarHBondContact O-OG1 2.86Å; S13-T16 WeakPolarHBondContact OG-CG2 3.34Å; S13-T16 PolarHBondContact OG-N 2.9Å; S13-T16 VanDerWaalsContact OG-N 3.13Å; S13-T16 PolarHBondContact OG-OG1 3.42Å; T16-L20 WeakPolarHBondContact O-CB 3.28Å; T16-L20 PolarHBondContact O-N 3.38Å
17Y92.6Very high82.2Confident55 Ų5585.8 Ų85.822%0.21647%0.468CS..Hα-helixtrans-66.8-42.5177.7174.3-114.9000112.3S13 L14 S21 N89 C93 M96S13-Y17 PolarHBondContact O-N 3Å; L14-Y17 PolarHBondContact O-N 3.46Å; Y17-S21 WeakPolarHBondContact O-CB 3.4Å; Y17-S21 PolarHBondContact O-N 2.96Å; Y17-S21 PolarHBondContact O-OG 3.26Å; Y17-N89 WeakPolarHBondContact CE2-OD1 3.36Å; Y17-N89 PolarHBondContact OH-OD1 3.22Å; Y17-C93 HydrophobicContact CE1-CB 4Å; Y17-M96 HydrophobicContact CD1-SD 4.34Å; Y17-M96 HydrophobicContact CE1-SD 3.79Å
18T93Very high84.2Confident26 Ų2679.4 Ų79.416%0.1644%0.439CS..Hα-helixtrans-67.4-45.3177.450.50000111.5L14 Q15 L20 S21 V22 L97L14-T18 HydrophobicContact CD1-CG2 4.29Å; L14-T18 HydrophobicContact CG-CG2 4.27Å; L14-T18 WeakPolarHBondContact O-CB 3.49Å; L14-T18 WeakPolarHBondContact O-CG2 3.07Å; L14-T18 PolarHBondContact O-N 3.19Å; L14-T18 PolarHBondContact O-OG1 3.26Å; Q15-T18 WeakPolarHBondContact CA-OG1 3.17Å; Q15-T18 PolarHBondContact O-OG1 3.4Å; T18-L20 PolarHBondContact O-N 2.86Å; T18-S21 PolarHBondContact O-N 2.92Å; T18-V22 WeakPolarHBondContact O-CG2 3.42Å; T18-V22 PolarHBondContact O-N 3.3Å; T18-L97 HydrophobicContact CG2-CD1 4.21Å; T18-L97 HydrophobicContact CG2-CD2 3.63Å; T18-L97 HydrophobicContact CG2-CG 3.97Å
19G93.4Very high85.9Confident44 Ų4472.5 Ų72.545%0.45442%0.418SS..Hα-helixtrans-58.5-44.917500000112.7Q15 V22 A23Q15-G19 PolarHBondContact O-N 3.43Å; G19-V22 PolarHBondContact O-N 3.36Å; G19-A23 WeakPolarHBondContact O-CB 3.49Å; G19-A23 PolarHBondContact O-N 3.19Å
20L93.3Very high88Confident108 Ų10873.5 Ų73.557%0.56542%0.423SS*.Hα-helixtrans-64.7-42.2176.3-176.363.1000112T16 T18 V22 A23 L24T16-L20 WeakPolarHBondContact O-CB 3.28Å; T16-L20 PolarHBondContact O-N 3.38Å; T18-L20 PolarHBondContact O-N 2.86Å; L20-V22 PolarHBondContact O-N 3.19Å; L20-A23 PolarHBondContact O-N 3.2Å; L20-L24 HydrophobicContact CD1-CD1 4.46Å; L20-L24 HydrophobicContact CD1-CG 4.4Å; L20-L24 HydrophobicContact CG-CD1 4.11Å; L20-L24 HydrophobicContact CG-CG 4.47Å; L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.33Å; L20-L24 PolarHBondContact O-N 3.08Å
21S94.6Very high89.5Confident4 Ų470.5 Ų70.53%0.02840%0.404CS..Hα-helixtrans-63.6-41.5179.4-60.50000112.1Y17 T18 L24 L25 N89Y17-S21 WeakPolarHBondContact O-CB 3.4Å; Y17-S21 PolarHBondContact O-N 2.96Å; Y17-S21 PolarHBondContact O-OG 3.26Å; T18-S21 PolarHBondContact O-N 2.92Å; S21-L24 PolarHBondContact O-N 3.37Å; S21-L25 WeakPolarHBondContact O-CB 3.45Å; S21-L25 PolarHBondContact O-N 3.42Å; S21-N89 WeakPolarHBondContact CB-ND2 3.21Å; S21-N89 PolarHBondContact OG-ND2 3.37Å
22V94.6Very high90.6Very high96 Ų9663 Ų6358%0.58238%0.376SS*.Hα-helixtrans-66.4-41.9175.8172.80000111.2T18 G19 L20 L25 A26T18-V22 WeakPolarHBondContact O-CG2 3.42Å; T18-V22 PolarHBondContact O-N 3.3Å; G19-V22 PolarHBondContact O-N 3.36Å; L20-V22 PolarHBondContact O-N 3.19Å; V22-L25 PolarHBondContact O-N 3.43Å; V22-A26 WeakPolarHBondContact O-CB 3.42Å; V22-A26 PolarHBondContact O-N 3.28Å
23A94.5Very high91.3Very high60 Ų6064.9 Ų64.950%0.49637%0.374SS..Hα-helixtrans-63.3-42.2176.900000112.1G19 L20 A26 G27G19-A23 WeakPolarHBondContact O-CB 3.49Å; G19-A23 PolarHBondContact O-N 3.19Å; L20-A23 PolarHBondContact O-N 3.2Å; A23-A26 PolarHBondContact O-N 2.95Å; A23-G27 PolarHBondContact O-N 2.9Å
24L93.7Very high91.4Very high87 Ų8764.8 Ų64.846%0.45537%0.37SS..Hα-helixtrans-63.3-44176-73.2172.4000111.9L20 S21 G27 S28 V86L20-L24 HydrophobicContact CD1-CD1 4.46Å; L20-L24 HydrophobicContact CD1-CG 4.4Å; L20-L24 HydrophobicContact CG-CD1 4.11Å; L20-L24 HydrophobicContact CG-CG 4.47Å; L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.33Å; L20-L24 PolarHBondContact O-N 3.08Å; S21-L24 PolarHBondContact O-N 3.37Å; L24-G27 PolarHBondContact O-N 3.37Å; L24-S28 PolarHBondContact O-N 2.92Å; L24-S28 PolarHBondContact O-OG 2.93Å; L24-V86 HydrophobicContact CB-CG1 4.27Å
25L93.4Very high91.3Very high42 Ų4264.5 Ų64.522%0.2237%0.371CS..Hα-helixtrans-64.3-44.3176.9-178.169.6000112S21 V22 G27 S28 I29 V86 L87 T90S21-L25 WeakPolarHBondContact O-CB 3.45Å; S21-L25 PolarHBondContact O-N 3.42Å; V22-L25 PolarHBondContact O-N 3.43Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 3.2Å; L25-S28 WeakPolarHBondContact CA-OG 3.34Å; L25-S28 PolarHBondContact O-N 3.39Å; L25-S28 PolarHBondContact O-OG 2.89Å; L25-I29 HydrophobicContact CD1-CD1 4.11Å; L25-I29 HydrophobicContact CD1-CG1 4.46Å; L25-I29 HydrophobicContact CD2-CD1 4.48Å; L25-I29 HydrophobicContact CG-CD1 3.86Å; L25-I29 WeakPolarHBondContact O-CB 3.32Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.38Å; L25-V86 HydrophobicContact CB-CG1 4.45Å; L25-V86 HydrophobicContact CD1-CG1 4.45Å; L25-L87 HydrophobicContact CD1-CD2 4.13Å; L25-T90 HydrophobicContact CD1-CG2 4.36Å; L25-T90 HydrophobicContact CD2-CG2 3.71Å
26A93.8Very high91Very high57 Ų5757.7 Ų57.747%0.47134%0.341SS..Hα-helixtrans-62.8-42.2177.200000111.3V22 A23 I29 F30V22-A26 WeakPolarHBondContact O-CB 3.42Å; V22-A26 PolarHBondContact O-N 3.28Å; A23-A26 PolarHBondContact O-N 2.95Å; A26-I29 PolarHBondContact O-N 2.91Å; A26-F30 WeakPolarHBondContact O-CB 3.47Å; A26-F30 PolarHBondContact O-N 3.02Å
27G92.4Very high90.5Very high39 Ų3957 Ų5740%0.40234%0.336SS..Hα-helixtrans-63.2-41.9175.300000113.2A23 L24 L25 F30 S31A23-G27 PolarHBondContact O-N 2.9Å; L24-G27 PolarHBondContact O-N 3.37Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 3.2Å; G27-F30 PolarHBondContact O-N 3.3Å; G27-S31 WeakPolarHBondContact O-CB 3.3Å; G27-S31 PolarHBondContact O-N 2.97Å
28S91.3Very high89.9Confident7 Ų758.9 Ų58.95%0.04935%0.35CS..Hα-helixtrans-67.4-41.7177.259.90000112.1L24 L25 S31 A32 F83L24-S28 PolarHBondContact O-N 2.92Å; L24-S28 PolarHBondContact O-OG 2.93Å; L25-S28 WeakPolarHBondContact CA-OG 3.34Å; L25-S28 PolarHBondContact O-N 3.39Å; L25-S28 PolarHBondContact O-OG 2.89Å; S28-S31 PolarHBondContact O-N 3.28Å; S28-A32 VanDerWaalsContact O-CB 3.26Å; S28-A32 WeakPolarHBondContact O-CB 3.47Å; S28-A32 PolarHBondContact O-N 3.48Å; S28-F83 VanDerWaalsContact CB-CD1 3.5Å
29I90.1Very high88.3Confident77 Ų7763.4 Ų63.440%0.39538%0.38SS..Hα-helixtrans-63.7-43.9175.9-67.5167.6000110.3L25 A26 A32 Y33 L77L25-I29 HydrophobicContact CD1-CD1 4.11Å; L25-I29 HydrophobicContact CD1-CG1 4.46Å; L25-I29 HydrophobicContact CD2-CD1 4.48Å; L25-I29 HydrophobicContact CG-CD1 3.86Å; L25-I29 WeakPolarHBondContact O-CB 3.32Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.43Å; L25-I29 PolarHBondContact O-N 3.38Å; A26-I29 PolarHBondContact O-N 2.91Å; I29-A32 PolarHBondContact O-N 3.27Å; I29-Y33 VanDerWaalsContact O-CB 3.26Å; I29-Y33 WeakPolarHBondContact O-CB 3.45Å; I29-Y33 PolarHBondContact O-N 3.35Å; I29-L77 HydrophobicContact CG1-CD1 4.23Å
30F91.5Very high86.7Confident141 Ų14163.9 Ų63.962%0.61838%0.384SS*.Hα-helixtrans-62-46.9177.3-177.7-99.5000111.6A26 G27 A32 Y33 T34A26-F30 WeakPolarHBondContact O-CB 3.47Å; A26-F30 PolarHBondContact O-N 3.02Å; G27-F30 PolarHBondContact O-N 3.3Å; F30-A32 PolarHBondContact O-N 3.1Å; F30-Y33 PolarHBondContact O-N 3.09Å; F30-T34 HydrophobicContact CD1-CG2 4.24Å; F30-T34 HydrophobicContact CE1-CG2 3.81Å; F30-T34 HydrophobicContact CE2-CG2 4.17Å; F30-T34 HydrophobicContact CZ-CG2 3.78Å; F30-T34 WeakPolarHBondContact O-CG2 3.41Å; F30-T34 PolarHBondContact O-N 3.45Å; F30-T34 PolarHBondContact O-OG1 3.34Å; F30-T34 VanDerWaalsContact O-OG1 3.12Å
31S89.3Confident85.2Confident50 Ų5062.9 Ų62.935%0.3538%0.376SS..Hα-helixtrans-61-44.9177.5-170.50000112.5G27 S28 T34 T35G27-S31 WeakPolarHBondContact O-CB 3.3Å; G27-S31 PolarHBondContact O-N 2.97Å; S28-S31 PolarHBondContact O-N 3.28Å; S31-T34 WeakPolarHBondContact CA-OG1 3.49Å; S31-T34 PolarHBondContact O-N 2.95Å; S31-T34 PolarHBondContact O-OG1 3.08Å; S31-T35 WeakPolarHBondContact O-CB 3.49Å; S31-T35 PolarHBondContact O-N 3.19Å; S31-T35 PolarHBondContact O-OG1 2.99Å
32A86.6Confident83.3Confident0 Ų064.9 Ų64.90%040%0.397CS..Hα-helixtrans-62.4-45.5176.200000111.3S28 I29 F30 T35 V36 V73 Y76 L77S28-A32 VanDerWaalsContact O-CB 3.26Å; S28-A32 WeakPolarHBondContact O-CB 3.47Å; S28-A32 PolarHBondContact O-N 3.48Å; I29-A32 PolarHBondContact O-N 3.27Å; F30-A32 PolarHBondContact O-N 3.1Å; A32-T35 PolarHBondContact O-N 3.31Å; A32-V36 VanDerWaalsContact O-CG2 3.31Å; A32-V36 WeakPolarHBondContact O-CG2 3.31Å; A32-V36 PolarHBondContact O-N 3.46Å; A32-V73 HydrophobicContact CB-CG1 3.98Å; A32-Y76 HydrophobicContact CB-CD1 3.79Å; A32-Y76 HydrophobicContact CB-CE1 4.33Å; A32-L77 HydrophobicContact CB-CD2 4.03Å; A32-L77 HydrophobicContact CB-CG 3.97Å
33Y87.7Confident81.1Confident119 Ų11964.5 Ų64.547%0.46740%0.404SS..Hα-helixtrans-59.4-51.4176.6-177.6-96.4000111.3I29 F30 T35 V36 T37 L69 V73I29-Y33 VanDerWaalsContact O-CB 3.26Å; I29-Y33 WeakPolarHBondContact O-CB 3.45Å; I29-Y33 PolarHBondContact O-N 3.35Å; F30-Y33 PolarHBondContact O-N 3.09Å; Y33-T35 PolarHBondContact O-N 3.13Å; Y33-V36 PolarHBondContact O-N 3.44Å; Y33-T37 HydrophobicContact CD1-CG2 4.18Å; Y33-T37 HydrophobicContact CD2-CG2 4.22Å; Y33-T37 HydrophobicContact CE1-CG2 3.83Å; Y33-T37 HydrophobicContact CE2-CG2 3.87Å; Y33-T37 HydrophobicContact CG-CG2 4.37Å; Y33-T37 WeakPolarHBondContact O-CB 3.34Å; Y33-T37 WeakPolarHBondContact O-CG2 3.46Å; Y33-T37 PolarHBondContact O-N 2.93Å; Y33-T37 PolarHBondContact O-OG1 3.34Å; Y33-L69 HydrophobicContact CE2-CD2 3.72Å; Y33-L69 HydrophobicContact CE2-CG 4.48Å; Y33-V73 HydrophobicContact CD2-CG2 4.45Å
34T86.8Confident79Confident56 Ų5669.2 Ų69.234%0.34442%0.42SS..Hα-helixtrans-59.4-37179.950.60000112.5F30 S31 T37 D38F30-T34 HydrophobicContact CD1-CG2 4.24Å; F30-T34 HydrophobicContact CE1-CG2 3.81Å; F30-T34 HydrophobicContact CE2-CG2 4.17Å; F30-T34 HydrophobicContact CZ-CG2 3.78Å; F30-T34 WeakPolarHBondContact O-CG2 3.41Å; F30-T34 PolarHBondContact O-N 3.45Å; F30-T34 PolarHBondContact O-OG1 3.34Å; F30-T34 VanDerWaalsContact O-OG1 3.12Å; S31-T34 WeakPolarHBondContact CA-OG1 3.49Å; S31-T34 PolarHBondContact O-N 2.95Å; S31-T34 PolarHBondContact O-OG1 3.08Å; T34-T37 WeakPolarHBondContact CA-OG1 3.24Å; T34-T37 PolarHBondContact O-OG1 3.23Å; T34-D38 PolarHBondContact O-N 3.49Å
35T84.6Confident76.9Confident49 Ų4973.5 Ų73.530%0.30144%0.438SS..Hα-helixtrans-70.1-42.5179.7-54.40000111.7S31 A32 Y33 D38 Y76S31-T35 WeakPolarHBondContact O-CB 3.49Å; S31-T35 PolarHBondContact O-N 3.19Å; S31-T35 PolarHBondContact O-OG1 2.99Å; A32-T35 PolarHBondContact O-N 3.31Å; Y33-T35 PolarHBondContact O-N 3.13Å; T35-D38 PolarHBondContact O-N 3.42Å; T35-Y76 HydrophobicContact CG2-CE1 4.33Å
36V82.3Confident74.4Confident17 Ų1778 Ų7810%0.10347%0.467CS..Hα-helixtrans-73.3-32-180174.40000111.7A32 Y33 D38 F41 L69 T72 V73A32-V36 VanDerWaalsContact O-CG2 3.31Å; A32-V36 WeakPolarHBondContact O-CG2 3.31Å; A32-V36 PolarHBondContact O-N 3.46Å; Y33-V36 PolarHBondContact O-N 3.44Å; V36-D38 VanDerWaalsContact C-N 3.33Å; V36-F41 HydrophobicContact CG1-CD1 4.42Å; V36-F41 HydrophobicContact CG1-CE1 4.31Å; V36-F41 HydrophobicContact CG2-CE1 4.25Å; V36-F41 HydrophobicContact CG2-CZ 4.34Å; V36-L69 HydrophobicContact CG1-CD1 3.71Å; V36-T72 HydrophobicContact CG1-CG2 3.74Å; V36-T72 HydrophobicContact CG2-CG2 4.34Å; V36-V73 HydrophobicContact CB-CG2 4.03Å; V36-V73 HydrophobicContact CG1-CG2 4.17Å; V36-V73 HydrophobicContact CG2-CG2 4.06Å
37T80.4Confident71.8Confident62 Ų6282.2 Ų82.238%0.3848%0.482SS..THydrogen-bonded Turntrans-82.9-6.1177.457.20000114.3Y33 T34 P39 L69Y33-T37 HydrophobicContact CD1-CG2 4.18Å; Y33-T37 HydrophobicContact CD2-CG2 4.22Å; Y33-T37 HydrophobicContact CE1-CG2 3.83Å; Y33-T37 HydrophobicContact CE2-CG2 3.87Å; Y33-T37 HydrophobicContact CG-CG2 4.37Å; Y33-T37 WeakPolarHBondContact O-CB 3.34Å; Y33-T37 WeakPolarHBondContact O-CG2 3.46Å; Y33-T37 PolarHBondContact O-N 2.93Å; Y33-T37 PolarHBondContact O-OG1 3.34Å; T34-T37 WeakPolarHBondContact CA-OG1 3.24Å; T34-T37 PolarHBondContact O-OG1 3.23Å; T37-P39 WeakPolarHBondContact O-CD 3.42Å; T37-L69 HydrophobicContact CG2-CD1 4.21Å; T37-L69 HydrophobicContact CG2-CD2 4.44Å
38D80.6Confident69.3Low95 Ų9586.6 Ų86.651%0.50850%0.496SS..SBendtrans-68.4124.8177.1-164.6-27.1000109.2T34 T35 V36 G40 F41T34-D38 PolarHBondContact O-N 3.49Å; T35-D38 PolarHBondContact O-N 3.42Å; V36-D38 VanDerWaalsContact C-N 3.33Å; D38-G40 PolarHBondContact O-N 3.07Å; D38-G40 PolarHBondContact OD1-N 2.92Å; D38-F41 WeakPolarHBondContact O-CB 3.49Å; D38-F41 PolarHBondContact O-N 2.96Å
39P60.3Low66.6Low122 Ų12293.1 Ų93.179%0.79254%0.536SS*.THydrogen-bonded Turntrans-55.2-15.1-178.718.8-33.8000115.4T37T37-P39 WeakPolarHBondContact O-CD 3.42Å
40G59.7Low64.5Low53 Ų5395.2 Ų95.255%0.54655%0.554SS.*THydrogen-bonded Turntrans-77.9-17172.400000115.6D38D38-G40 PolarHBondContact O-N 3.07Å; D38-G40 PolarHBondContact OD1-N 2.92Å
41F61.6Low62.2Low87 Ų8793.3 Ų93.338%0.38256%0.564SS.*THydrogen-bonded Turntrans-76.3-37.9-174.6-171.5-99.3000112.8V36 D38 T72V36-F41 HydrophobicContact CG1-CD1 4.42Å; V36-F41 HydrophobicContact CG1-CE1 4.31Å; V36-F41 HydrophobicContact CG2-CE1 4.25Å; V36-F41 HydrophobicContact CG2-CZ 4.34Å; D38-F41 WeakPolarHBondContact O-CB 3.49Å; D38-F41 PolarHBondContact O-N 2.96Å; F41-T72 HydrophobicContact CE1-CG2 4.24Å
42G53.6Low59.9Low47 Ų4796 Ų9649%0.48558%0.581SS.*G310 helixtrans-79.6-9.9-179.800000115.5L44 E45G42-L44 PolarHBondContact O-N 3.45Å; G42-L44 VanDerWaalsContact O-N 3.15Å; G42-E45 PolarHBondContact O-N 3.22Å
43A49.1Very low57.9Low87 Ų87101.2 Ų101.272%0.71962%0.617SS**G310 helixtrans-73.9-1-176.600000114.3
44L49.9Very low56.2Low160 Ų160102.2 Ų102.284%0.83863%0.631SS**G310 helixtrans-100.6-11.8178-81.7163.6000114.1G42G42-L44 PolarHBondContact O-N 3.45Å; G42-L44 VanDerWaalsContact O-N 3.15Å
45E50.8Low54.5Low176 Ų176105.5 Ų105.582%0.82265%0.651SS**SBendtrans-144.456.9-173.6-70.3-165135.400114.1G42G42-E45 PolarHBondContact O-N 3.22Å
46T39.6Very low52.6Low136 Ų136110.7 Ų110.783%0.83468%0.677SS**  trans-15610315348.60000110.6
47D39.5Very low51Low147 Ų147113.8 Ų113.879%0.78669%0.692SS**  trans-112.4136.7153-159.317.9000107.7
48D39.1Very low49.6Very low131 Ų131117.6 Ų117.670%0.70171%0.705SS**  trans66.2104.8168-67.7-34.5000121.6
49T35.3Very low48.1Very low143 Ų143121 Ų12188%0.87772%0.718SS**  161.7158.510730.80000114.7
50P45.9Very low47.5Very low121 Ų121120.9 Ų120.979%0.78671%0.71SS**  trans-97.1162.3-148.638.6-36.6000116.9
51A42.8Very low47.2Very low101 Ų101121.4 Ų121.484%0.83571%0.705SS**  trans-73.8153.4-172.400000116.5
52P41.8Very low47.1Very low107 Ų107121.7 Ų121.770%0.69571%0.711SS**  trans-122.8163.3151.235.3-21000114.5
53S44.8Very low47.2Very low109 Ų109122 Ų12276%0.76271%0.708SS**  trans-53143.9-160480000120.1
54D50.9Low47.7Very low141 Ų141121.4 Ų121.475%0.75470%0.696SS**  trans-69.8145.8-179.3-54-59.1000114.1
55V51.3Low48.7Very low125 Ų125115.5 Ų115.576%0.75867%0.674SS**SBendtrans151-27.8139.1172.60000111.2
56D44.1Very low49.9Very low158 Ų158112.4 Ų112.485%0.84566%0.663SS**SBendtrans-103-3.5163.6-73.3-41.7000112.9
57L49.1Very low51.8Low82 Ų82110 Ų11043%0.42965%0.648SS.*Hα-helixtrans-81.4-22.2-175.9-164.265.1000112.8S61L57-S61 VanDerWaalsContact O-CA 3.32Å; L57-S61 WeakPolarHBondContact O-CA 3.36Å; L57-S61 WeakPolarHBondContact O-CB 3.49Å; L57-S61 PolarHBondContact O-N 2.81Å
58E51.4Low53.8Low141 Ų141107.4 Ų107.466%0.65963%0.631SS**Hα-helixtrans-75.3-39.9-168-146178.5155.100113N62E58-N62 VanDerWaalsContact O-CB 3.27Å; E58-N62 WeakPolarHBondContact O-CB 3.27Å; E58-N62 PolarHBondContact O-N 3.32Å; E58-N62 PolarHBondContact O-ND2 3.42Å
59H48.8Very low55.8Low167 Ų167103.5 Ų103.577%0.77361%0.61SS**Hα-helixtrans-77.7-30.1178.6-148.4-46.1000112.3A63H59-A63 WeakPolarHBondContact O-CB 3.42Å; H59-A63 PolarHBondContact O-N 2.81Å
60L47.2Very low58.1Low120 Ų12099.5 Ų99.563%0.62859%0.592SS**Hα-helixtrans-76.6-38.8172.2-145.483.3000111A63 V64L60-A63 PolarHBondContact O-N 3.45Å; L60-V64 WeakPolarHBondContact O-CB 3.3Å; L60-V64 WeakPolarHBondContact O-CG2 3.35Å; L60-V64 PolarHBondContact O-N 3.46Å
61S55.3Low60Low64 Ų64101.8 Ų101.845%0.44859%0.585SS.*Hα-helixtrans-65.4-41.8175.4170.80000111.8L57 G65L57-S61 VanDerWaalsContact O-CA 3.32Å; L57-S61 WeakPolarHBondContact O-CA 3.36Å; L57-S61 WeakPolarHBondContact O-CB 3.49Å; L57-S61 PolarHBondContact O-N 2.81Å; S61-G65 WeakPolarHBondContact O-CA 3.41Å; S61-G65 PolarHBondContact O-N 2.89Å
62N58Low61.9Low93 Ų9399.5 Ų99.550%0.49756%0.561SS.*Hα-helixtrans-69.9-36.8176.2-74-32.5000112.1E58 N66E58-N62 VanDerWaalsContact O-CB 3.27Å; E58-N62 WeakPolarHBondContact O-CB 3.27Å; E58-N62 PolarHBondContact O-N 3.32Å; E58-N62 PolarHBondContact O-ND2 3.42Å; N62-N66 VanDerWaalsContact O-CB 3.28Å; N62-N66 WeakPolarHBondContact O-CB 3.33Å; N62-N66 PolarHBondContact O-N 3.02Å; N62-N66 PolarHBondContact O-ND2 3.28Å
63A56.9Low64Low52 Ų5295.1 Ų95.143%0.4353%0.532SS..Hα-helixtrans-69.2-46.6174.900000111.8H59 L60 N66 T67H59-A63 WeakPolarHBondContact O-CB 3.42Å; H59-A63 PolarHBondContact O-N 2.81Å; L60-A63 PolarHBondContact O-N 3.45Å; A63-N66 PolarHBondContact O-N 2.87Å; A63-T67 WeakPolarHBondContact O-CG2 3.41Å; A63-T67 PolarHBondContact O-N 2.9Å; A63-T67 PolarHBondContact O-OG1 3.26Å; A63-T67 VanDerWaalsContact O-OG1 3.06Å
64V59.2Low65.9Low76 Ų7694.4 Ų94.446%0.46152%0.519SS..Hα-helixtrans-63.6-43176.3171.10000110.6L60 T67 E68L60-V64 WeakPolarHBondContact O-CB 3.3Å; L60-V64 WeakPolarHBondContact O-CG2 3.35Å; L60-V64 PolarHBondContact O-N 3.46Å; V64-T67 WeakPolarHBondContact CA-OG1 3.45Å; V64-T67 PolarHBondContact O-N 2.91Å; V64-T67 PolarHBondContact O-OG1 2.93Å; V64-E68 HydrophobicContact CG1-CG 4.33Å; V64-E68 WeakPolarHBondContact O-CB 3.27Å; V64-E68 VanDerWaalsContact O-CG 3.29Å; V64-E68 WeakPolarHBondContact O-CG 3.29Å; V64-E68 PolarHBondContact O-N 3.36Å
65G71.1Confident67.5Low36 Ų3695.7 Ų95.737%0.37151%0.513SS..Hα-helixtrans-63.9-40.2176.500000112.9S61 L69S61-G65 WeakPolarHBondContact O-CA 3.41Å; S61-G65 PolarHBondContact O-N 2.89Å; G65-L69 WeakPolarHBondContact O-CB 3.49Å; G65-L69 PolarHBondContact O-N 2.96Å
66N75.3Confident69.1Low110 Ų11092.5 Ų92.559%0.58849%0.488SS*.Hα-helixtrans-69.2-37.5175.2-73.8-18000112.5N62 A63 A70N62-N66 VanDerWaalsContact O-CB 3.28Å; N62-N66 WeakPolarHBondContact O-CB 3.33Å; N62-N66 PolarHBondContact O-N 3.02Å; N62-N66 PolarHBondContact O-ND2 3.28Å; A63-N66 PolarHBondContact O-N 2.87Å; N66-A70 VanDerWaalsContact O-CB 3.26Å; N66-A70 WeakPolarHBondContact O-CB 3.23Å; N66-A70 PolarHBondContact O-N 2.88Å
67T80.4Confident71.1Confident87 Ų8785.6 Ų85.653%0.53445%0.451SS..Hα-helixtrans-69.7-38.8175.348.50000112.4A63 V64 A70 R71A63-T67 WeakPolarHBondContact O-CG2 3.41Å; A63-T67 PolarHBondContact O-N 2.9Å; A63-T67 PolarHBondContact O-OG1 3.26Å; A63-T67 VanDerWaalsContact O-OG1 3.06Å; V64-T67 WeakPolarHBondContact CA-OG1 3.45Å; V64-T67 PolarHBondContact O-N 2.91Å; V64-T67 PolarHBondContact O-OG1 2.93Å; T67-A70 PolarHBondContact O-N 3.41Å; T67-R71 WeakPolarHBondContact O-CB 3.37Å; T67-R71 PolarHBondContact O-N 3.25Å
68E80.8Confident72.8Confident92 Ų9286.4 Ų86.443%0.4345%0.454SS..Hα-helixtrans-69.5-42.3175.5-71.2-57.3141.700111V64 A70 R71 T72V64-E68 HydrophobicContact CG1-CG 4.33Å; V64-E68 WeakPolarHBondContact O-CB 3.27Å; V64-E68 VanDerWaalsContact O-CG 3.29Å; V64-E68 WeakPolarHBondContact O-CG 3.29Å; V64-E68 PolarHBondContact O-N 3.36Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 3.49Å; E68-R71 WeakPolarHBondContact O-CB 3.49Å; E68-R71 PolarHBondContact O-N 2.88Å; E68-R71 VanDerWaalsContact O-N 3.15Å; E68-T72 PolarHBondContact O-N 2.83Å; E68-T72 PolarHBondContact O-OG1 2.86Å
69L82.2Confident74.4Confident48 Ų4883.4 Ų83.425%0.25145%0.446SS..Hα-helixtrans-58.6-46172.6-177.366.4000111.4Y33 V36 T37 G65 R71 T72 V73Y33-L69 HydrophobicContact CE2-CD2 3.72Å; Y33-L69 HydrophobicContact CE2-CG 4.48Å; V36-L69 HydrophobicContact CG1-CD1 3.71Å; T37-L69 HydrophobicContact CG2-CD1 4.21Å; T37-L69 HydrophobicContact CG2-CD2 4.44Å; G65-L69 WeakPolarHBondContact O-CB 3.49Å; G65-L69 PolarHBondContact O-N 2.96Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 2.93Å; L69-T72 PolarHBondContact O-N 3.31Å; L69-V73 WeakPolarHBondContact O-CB 3.44Å; L69-V73 VanDerWaalsContact O-CG2 3.28Å; L69-V73 WeakPolarHBondContact O-CG2 3.24Å; L69-V73 PolarHBondContact O-N 3.45Å
70A83.1Confident76.2Confident60 Ų6077.8 Ų77.850%0.49642%0.422SS..Hα-helixtrans-62.1-38.6176.300000112.1N66 T67 E68 L74N66-A70 VanDerWaalsContact O-CB 3.26Å; N66-A70 WeakPolarHBondContact O-CB 3.23Å; N66-A70 PolarHBondContact O-N 2.88Å; T67-A70 PolarHBondContact O-N 3.41Å; E68-A70 VanDerWaalsContact C-N 3.34Å; E68-A70 PolarHBondContact O-N 3.49Å; A70-L74 VanDerWaalsContact O-CB 3.27Å; A70-L74 WeakPolarHBondContact O-CB 3.49Å; A70-L74 PolarHBondContact O-N 3.43Å
71R85.2Confident78.1Confident169 Ų16976.1 Ų76.164%0.63842%0.42SS*.Hα-helixtrans-65.6-42.7175.6-174.2-178.6-179173.6-0.5111.9T67 E68 L69 L74 W75T67-R71 WeakPolarHBondContact O-CB 3.37Å; T67-R71 PolarHBondContact O-N 3.25Å; E68-R71 WeakPolarHBondContact O-CB 3.49Å; E68-R71 PolarHBondContact O-N 2.88Å; E68-R71 VanDerWaalsContact O-N 3.15Å; L69-R71 VanDerWaalsContact C-N 3.31Å; L69-R71 PolarHBondContact O-N 2.93Å; R71-L74 PolarHBondContact O-N 3.4Å; R71-W75 WeakPolarHBondContact O-CB 3.32Å; R71-W75 PolarHBondContact O-N 3.33Å
72T83.3Confident79.6Confident53 Ų5379.3 Ų79.333%0.32543%0.432SS..Hα-helixtrans-66.7-42.8177.5-56.70000111.5V36 F41 E68 L69 W75 Y76V36-T72 HydrophobicContact CG1-CG2 3.74Å; V36-T72 HydrophobicContact CG2-CG2 4.34Å; F41-T72 HydrophobicContact CE1-CG2 4.24Å; E68-T72 PolarHBondContact O-N 2.83Å; E68-T72 PolarHBondContact O-OG1 2.86Å; L69-T72 PolarHBondContact O-N 3.31Å; T72-W75 PolarHBondContact O-N 2.93Å; T72-Y76 WeakPolarHBondContact O-CB 3.38Å; T72-Y76 PolarHBondContact O-N 2.9Å
73V84.9Confident81.1Confident14 Ų1476.3 Ų76.39%0.08541%0.414CS..Hα-helixtrans-62.3-43.1173.61710000111.1A32 Y33 V36 L69 Y76 L77A32-V73 HydrophobicContact CB-CG1 3.98Å; Y33-V73 HydrophobicContact CD2-CG2 4.45Å; V36-V73 HydrophobicContact CB-CG2 4.03Å; V36-V73 HydrophobicContact CG1-CG2 4.17Å; V36-V73 HydrophobicContact CG2-CG2 4.06Å; L69-V73 WeakPolarHBondContact O-CB 3.44Å; L69-V73 VanDerWaalsContact O-CG2 3.28Å; L69-V73 WeakPolarHBondContact O-CG2 3.24Å; L69-V73 PolarHBondContact O-N 3.45Å; V73-Y76 PolarHBondContact O-N 3.39Å; V73-L77 HydrophobicContact CG1-CD1 4.04Å; V73-L77 WeakPolarHBondContact O-CG 3.44Å; V73-L77 PolarHBondContact O-N 3.38Å
74L84.6Confident82.7Confident94 Ų9475.2 Ų75.249%0.49240%0.402SS..Hα-helixtrans-63.5-42.5176.1179.564.7000111.9A70 R71 L77 I78A70-L74 VanDerWaalsContact O-CB 3.27Å; A70-L74 WeakPolarHBondContact O-CB 3.49Å; A70-L74 PolarHBondContact O-N 3.43Å; R71-L74 PolarHBondContact O-N 3.4Å; L74-L77 PolarHBondContact O-N 2.87Å; L74-I78 HydrophobicContact CD1-CD1 3.99Å; L74-I78 HydrophobicContact CD1-CG1 4.47Å; L74-I78 HydrophobicContact CG-CD1 3.95Å; L74-I78 WeakPolarHBondContact O-CG1 3.38Å; L74-I78 PolarHBondContact O-N 3.39Å; L74-I78 VanDerWaalsContact O-N 3.13Å
75W85.9Confident84.2Confident168 Ų16877.4 Ų77.464%0.63640%0.402SS*.Hα-helixtrans-60.5-47.5176.4-173.186.3000110.6R71 T72 L77 I78 T79R71-W75 WeakPolarHBondContact O-CB 3.32Å; R71-W75 PolarHBondContact O-N 3.33Å; T72-W75 PolarHBondContact O-N 2.93Å; W75-L77 VanDerWaalsContact C-N 3.33Å; W75-L77 PolarHBondContact O-N 3.38Å; W75-I78 PolarHBondContact O-N 3.48Å; W75-T79 HydrophobicContact CH2-CG2 4.38Å; W75-T79 PolarHBondContact O-N 2.9Å; W75-T79 PolarHBondContact O-OG1 3.23Å
76Y85Confident85.3Confident59 Ų5976.9 Ų76.923%0.23139%0.392CS..Hα-helixtrans-59.3-40.4176.3-172.3-109.9000113A32 T35 T72 V73 I78 T79 D80 F83A32-Y76 HydrophobicContact CB-CD1 3.79Å; A32-Y76 HydrophobicContact CB-CE1 4.33Å; T35-Y76 HydrophobicContact CG2-CE1 4.33Å; T72-Y76 WeakPolarHBondContact O-CB 3.38Å; T72-Y76 PolarHBondContact O-N 2.9Å; V73-Y76 PolarHBondContact O-N 3.39Å; Y76-I78 VanDerWaalsContact C-N 3.28Å; Y76-I78 PolarHBondContact O-N 3.28Å; Y76-T79 PolarHBondContact O-N 3.42Å; Y76-D80 PolarHBondContact O-N 2.85Å; Y76-D80 VanDerWaalsContact O-N 3.09Å; Y76-F83 HydrophobicContact CD1-CD2 4.5Å; Y76-F83 HydrophobicContact CD1-CE2 4.21Å; Y76-F83 HydrophobicContact CE1-CD2 4.38Å; Y76-F83 AromaticContact CE1-CE2 3.72Å; Y76-F83 HydrophobicContact CE1-CE2 3.72Å
77L85.9Confident86.1Confident12 Ų1274.3 Ų74.36%0.06338%0.377CS..Hα-helixtrans-64-29.5175.3-77.4162.6000113.6I29 A32 V73 L74 W75 F83 L87I29-L77 HydrophobicContact CG1-CD1 4.23Å; A32-L77 HydrophobicContact CB-CD2 4.03Å; A32-L77 HydrophobicContact CB-CG 3.97Å; V73-L77 HydrophobicContact CG1-CD1 4.04Å; V73-L77 WeakPolarHBondContact O-CG 3.44Å; V73-L77 PolarHBondContact O-N 3.38Å; L74-L77 PolarHBondContact O-N 2.87Å; W75-L77 VanDerWaalsContact C-N 3.33Å; W75-L77 PolarHBondContact O-N 3.38Å; L77-F83 HydrophobicContact CD2-CB 3.91Å; L77-F83 HydrophobicContact CD2-CD2 4.03Å; L77-F83 HydrophobicContact CD2-CG 3.93Å; L77-F83 WeakPolarHBondContact O-CB 3.31Å; L77-L87 HydrophobicContact CB-CD1 4.44Å
78I84.8Confident86.7Confident99 Ų9970.8 Ų70.851%0.50836%0.356SS..Hα-helixtrans-87.8-26179.5-65.7168000111.4L74 W75 Y76 V84 L87L74-I78 HydrophobicContact CD1-CD1 3.99Å; L74-I78 HydrophobicContact CD1-CG1 4.47Å; L74-I78 HydrophobicContact CG-CD1 3.95Å; L74-I78 WeakPolarHBondContact O-CG1 3.38Å; L74-I78 PolarHBondContact O-N 3.39Å; L74-I78 VanDerWaalsContact O-N 3.13Å; W75-I78 PolarHBondContact O-N 3.48Å; Y76-I78 VanDerWaalsContact C-N 3.28Å; Y76-I78 PolarHBondContact O-N 3.28Å; I78-V84 WeakPolarHBondContact O-CG2 3.37Å; I78-L87 HydrophobicContact CG1-CD1 4.17Å
79T84.4Confident87.3Confident79 Ų7968.4 Ų68.449%0.48535%0.346SS..Hα-helixtrans-81.4-36.1178.8-57.50000112.7W75 Y76W75-T79 HydrophobicContact CH2-CG2 4.38Å; W75-T79 PolarHBondContact O-N 2.9Å; W75-T79 PolarHBondContact O-OG1 3.23Å; Y76-T79 PolarHBondContact O-N 3.42Å
80D87.7Confident87.8Confident49 Ų4967.9 Ų67.926%0.26235%0.345SS..SBendtrans-75.3128.2-178.3-171.2-80.1000112.4Y76 L82 F83 V84Y76-D80 PolarHBondContact O-N 2.85Å; Y76-D80 VanDerWaalsContact O-N 3.09Å; D80-L82 VanDerWaalsContact C-N 3.31Å; D80-L82 PolarHBondContact O-N 3.37Å; D80-L82 WeakPolarHBondContact OD1-CB 3.11Å; D80-L82 PolarHBondContact OD1-N 3.41Å; D80-F83 HydrophobicContact CB-CB 4.21Å; D80-F83 HydrophobicContact CB-CD2 3.52Å; D80-F83 HydrophobicContact CB-CE2 4.18Å; D80-F83 HydrophobicContact CB-CG 4.12Å; D80-F83 PolarHBondContact O-N 3.1Å; D80-F83 PolarHBondContact OD1-N 2.52Å; D80-V84 VanDerWaalsContact O-CG2 3.28Å; D80-V84 WeakPolarHBondContact O-CG2 2.96Å; D80-V84 PolarHBondContact O-N 3.47Å
81S86.1Confident88.4Confident85 Ų8568.5 Ų68.559%0.59434%0.336SS*.Hα-helixtrans-60.6-35.1-176.1-64.10000113.6
82L87.6Confident88.9Confident131 Ų13162 Ų6269%0.68632%0.317SS*.Hα-helixtrans-75.8-41.5180-65.8175.4000111.1D80 V84 W85 V86D80-L82 VanDerWaalsContact C-N 3.31Å; D80-L82 PolarHBondContact O-N 3.37Å; D80-L82 WeakPolarHBondContact OD1-CB 3.11Å; D80-L82 PolarHBondContact OD1-N 3.41Å; L82-V84 VanDerWaalsContact C-N 3.34Å; L82-V84 PolarHBondContact O-N 3.2Å; L82-W85 PolarHBondContact O-N 2.88Å; L82-V86 PolarHBondContact O-N 3.15Å
83F89.6Confident89.5Confident30 Ų3059.8 Ų59.813%0.13230%0.304CS..Hα-helixtrans-68-33.7179.7-61.6-31.1000112.7S28 Y76 L77 D80 W85 V86 L87S28-F83 VanDerWaalsContact CB-CD1 3.5Å; Y76-F83 HydrophobicContact CD1-CD2 4.5Å; Y76-F83 HydrophobicContact CD1-CE2 4.21Å; Y76-F83 HydrophobicContact CE1-CD2 4.38Å; Y76-F83 AromaticContact CE1-CE2 3.72Å; Y76-F83 HydrophobicContact CE1-CE2 3.72Å; L77-F83 HydrophobicContact CD2-CB 3.91Å; L77-F83 HydrophobicContact CD2-CD2 4.03Å; L77-F83 HydrophobicContact CD2-CG 3.93Å; L77-F83 WeakPolarHBondContact O-CB 3.31Å; D80-F83 HydrophobicContact CB-CB 4.21Å; D80-F83 HydrophobicContact CB-CD2 3.52Å; D80-F83 HydrophobicContact CB-CE2 4.18Å; D80-F83 HydrophobicContact CB-CG 4.12Å; D80-F83 PolarHBondContact O-N 3.1Å; D80-F83 PolarHBondContact OD1-N 2.52Å; F83-W85 VanDerWaalsContact C-N 3.31Å; F83-W85 PolarHBondContact O-N 3.43Å; F83-V86 WeakPolarHBondContact O-CA 3.29Å; F83-V86 WeakPolarHBondContact O-CB 3.48Å; F83-V86 PolarHBondContact O-N 3.35Å; F83-V86 VanDerWaalsContact O-N 3.07Å; F83-L87 WeakPolarHBondContact O-CG 3.21Å; F83-L87 PolarHBondContact O-N 3.31Å
84V90.2Very high90Very high28 Ų2861.3 Ų61.317%0.1731%0.314CS..Hα-helixtrans-56.7-44.1172.1170.40000111.7I78 D80 L82 V86 L87 V88 V146I78-V84 WeakPolarHBondContact O-CG2 3.37Å; D80-V84 VanDerWaalsContact O-CG2 3.28Å; D80-V84 WeakPolarHBondContact O-CG2 2.96Å; D80-V84 PolarHBondContact O-N 3.47Å; L82-V84 VanDerWaalsContact C-N 3.34Å; L82-V84 PolarHBondContact O-N 3.2Å; V84-V86 VanDerWaalsContact C-N 3.32Å; V84-V86 PolarHBondContact O-N 3.38Å; V84-L87 WeakPolarHBondContact O-CB 3.47Å; V84-L87 PolarHBondContact O-N 3.3Å; V84-V88 WeakPolarHBondContact O-CG2 3.27Å; V84-V88 PolarHBondContact O-N 2.81Å; V84-V146 HydrophobicContact CG1-CB 4.34Å; V84-V146 HydrophobicContact CG1-CG1 3.72Å; V84-V146 HydrophobicContact CG1-CG2 3.87Å
85W91.2Very high90.5Very high122 Ų12258 Ų5846%0.46230%0.297SS..Hα-helixtrans-66.9-31.6176.6-72.7109.5000113.1L82 F83 V88 N89 V142 V146L82-W85 PolarHBondContact O-N 2.88Å; F83-W85 VanDerWaalsContact C-N 3.31Å; F83-W85 PolarHBondContact O-N 3.43Å; W85-V88 PolarHBondContact O-N 3.09Å; W85-N89 WeakPolarHBondContact O-CB 2.96Å; W85-N89 PolarHBondContact O-N 2.94Å; W85-V142 HydrophobicContact CZ2-CG1 4.19Å; W85-V146 HydrophobicContact CH2-CG2 4.4Å; W85-V146 HydrophobicContact CZ2-CG2 4.27Å
86V93.3Very high90.9Very high26 Ų2654.1 Ų54.116%0.15829%0.287CS..Hα-helixtrans-65.8-40.2171.6177.60000110.9L24 L25 L82 F83 V84 N89 T90L24-V86 HydrophobicContact CB-CG1 4.27Å; L25-V86 HydrophobicContact CB-CG1 4.45Å; L25-V86 HydrophobicContact CD1-CG1 4.45Å; L82-V86 PolarHBondContact O-N 3.15Å; F83-V86 WeakPolarHBondContact O-CA 3.29Å; F83-V86 WeakPolarHBondContact O-CB 3.48Å; F83-V86 PolarHBondContact O-N 3.35Å; F83-V86 VanDerWaalsContact O-N 3.07Å; V84-V86 VanDerWaalsContact C-N 3.32Å; V84-V86 PolarHBondContact O-N 3.38Å; V86-N89 PolarHBondContact O-N 2.61Å; V86-T90 WeakPolarHBondContact O-CB 3.47Å; V86-T90 PolarHBondContact O-N 3.05Å; V86-T90 PolarHBondContact O-OG1 3.13Å
87L91.4Very high91.3Very high55 Ų5555.1 Ų55.129%0.28830%0.296SS..Hα-helixtrans-65.1-43.8174.8-67.1177.2000111.9L25 L77 I78 F83 V84 N89 T90 F91L25-L87 HydrophobicContact CD1-CD2 4.13Å; L77-L87 HydrophobicContact CB-CD1 4.44Å; I78-L87 HydrophobicContact CG1-CD1 4.17Å; F83-L87 WeakPolarHBondContact O-CG 3.21Å; F83-L87 PolarHBondContact O-N 3.31Å; V84-L87 WeakPolarHBondContact O-CB 3.47Å; V84-L87 PolarHBondContact O-N 3.3Å; L87-N89 PolarHBondContact O-N 3.01Å; L87-T90 WeakPolarHBondContact O-CB 3.37Å; L87-T90 PolarHBondContact O-N 2.66Å; L87-F91 WeakPolarHBondContact O-CB 3.41Å; L87-F91 PolarHBondContact O-N 3.06Å
88V93.4Very high91.8Very high14 Ų1458.4 Ų58.49%0.08531%0.313CS..Hα-helixtrans-59.3-47174.3174.10000110.9V84 W85 T90 F91 C92 V146 L150V84-V88 WeakPolarHBondContact O-CG2 3.27Å; V84-V88 PolarHBondContact O-N 2.81Å; W85-V88 PolarHBondContact O-N 3.09Å; V88-T90 VanDerWaalsContact C-N 3.32Å; V88-T90 PolarHBondContact O-N 3.49Å; V88-F91 PolarHBondContact O-N 3.46Å; V88-C92 PolarHBondContact O-N 3.14Å; V88-C92 PolarHBondContact O-SG 2.75Å; V88-C92 VanDerWaalsContact O-SG 3.39Å; V88-V146 HydrophobicContact CG2-CG1 3.68Å; V88-L150 HydrophobicContact CB-CD2 4.35Å; V88-L150 HydrophobicContact CG1-CD2 4.27Å; V88-L150 HydrophobicContact CG2-CD2 4.01Å; V88-L150 HydrophobicContact CG2-CG 4.22Å
89N93.6Very high92.3Very high42 Ų4254.6 Ų54.623%0.22530%0.296CS..Hα-helixtrans-60.4-42.4176.1176.772.6000111.8Y17 S21 W85 V86 L87 C92 C93Y17-N89 WeakPolarHBondContact CE2-OD1 3.36Å; Y17-N89 PolarHBondContact OH-OD1 3.22Å; S21-N89 WeakPolarHBondContact CB-ND2 3.21Å; S21-N89 PolarHBondContact OG-ND2 3.37Å; W85-N89 WeakPolarHBondContact O-CB 2.96Å; W85-N89 PolarHBondContact O-N 2.94Å; V86-N89 PolarHBondContact O-N 2.61Å; L87-N89 PolarHBondContact O-N 3.01Å; N89-C92 PolarHBondContact O-N 3.36Å; N89-C93 VanDerWaalsContact O-CB 3.26Å; N89-C93 WeakPolarHBondContact O-CB 3.49Å; N89-C93 PolarHBondContact O-N 2.92Å
90T93.7Very high92.7Very high37 Ų3755.5 Ų55.523%0.22729%0.293CS..Hα-helixtrans-62.2-43.5177.1-59.80000111.4L25 V86 L87 V88 C93 S94L25-T90 HydrophobicContact CD1-CG2 4.36Å; L25-T90 HydrophobicContact CD2-CG2 3.71Å; V86-T90 WeakPolarHBondContact O-CB 3.47Å; V86-T90 PolarHBondContact O-N 3.05Å; V86-T90 PolarHBondContact O-OG1 3.13Å; L87-T90 WeakPolarHBondContact O-CB 3.37Å; L87-T90 PolarHBondContact O-N 2.66Å; V88-T90 VanDerWaalsContact C-N 3.32Å; V88-T90 PolarHBondContact O-N 3.49Å; T90-C93 WeakPolarHBondContact O-CB 3.49Å; T90-C93 PolarHBondContact O-N 2.97Å; T90-S94 PolarHBondContact O-N 3.19Å
91F95.8Very high93Very high72 Ų7259.1 Ų59.132%0.31631%0.31SS..Hα-helixtrans-60.1-51175.7-180-105.5000111.3L87 V88 C93 S94 L95 L150 A154L87-F91 WeakPolarHBondContact O-CB 3.41Å; L87-F91 PolarHBondContact O-N 3.06Å; V88-F91 PolarHBondContact O-N 3.46Å; F91-C93 VanDerWaalsContact C-N 3.32Å; F91-C93 PolarHBondContact O-N 2.73Å; F91-S94 PolarHBondContact O-N 3.27Å; F91-S94 VanDerWaalsContact O-N 3.16Å; F91-S94 PolarHBondContact O-OG 3.1Å; F91-L95 HydrophobicContact CD1-CD1 4.08Å; F91-L95 HydrophobicContact CE1-CD1 3.55Å; F91-L95 HydrophobicContact CE1-CG 4.31Å; F91-L95 HydrophobicContact CZ-CD1 3.88Å; F91-L95 HydrophobicContact CZ-CD2 4.46Å; F91-L95 HydrophobicContact CZ-CG 4.31Å; F91-L95 PolarHBondContact O-N 3.44Å; F91-L150 HydrophobicContact CB-CD2 3.96Å; F91-L150 HydrophobicContact CD1-CD2 3.44Å; F91-L150 VanDerWaalsContact CD1-CD2 3.44Å; F91-L150 HydrophobicContact CE1-CD2 4.11Å; F91-L150 HydrophobicContact CG-CD2 3.82Å; F91-A154 HydrophobicContact CZ-CB 4.35Å
92C95.1Very high93.4Very high33 Ų3356.5 Ų56.522%0.22329%0.289CS..Hα-helixtrans-58.9-41.9175.9-68.80000112.5V88 N89 S94 L95 M96V88-C92 PolarHBondContact O-N 3.14Å; V88-C92 PolarHBondContact O-SG 2.75Å; V88-C92 VanDerWaalsContact O-SG 3.39Å; N89-C92 PolarHBondContact O-N 3.36Å; C92-S94 VanDerWaalsContact C-N 3.34Å; C92-S94 PolarHBondContact O-N 3.39Å; C92-L95 PolarHBondContact O-N 2.84Å; C92-M96 WeakPolarHBondContact O-CG 3.49Å; C92-M96 PolarHBondContact O-N 3.38Å
93C95.2Very high93.7Very high7 Ų752 Ų525%0.04727%0.265CS..Hα-helixtrans-61-43.3176.3-167.80000111.6Y17 N89 T90 F91 L95 M96 L97Y17-C93 HydrophobicContact CE1-CB 4Å; N89-C93 VanDerWaalsContact O-CB 3.26Å; N89-C93 WeakPolarHBondContact O-CB 3.49Å; N89-C93 PolarHBondContact O-N 2.92Å; T90-C93 WeakPolarHBondContact O-CB 3.49Å; T90-C93 PolarHBondContact O-N 2.97Å; F91-C93 VanDerWaalsContact C-N 3.32Å; F91-C93 PolarHBondContact O-N 2.73Å; C93-L95 PolarHBondContact O-N 3.19Å; C93-M96 PolarHBondContact O-N 3.41Å; C93-L97 WeakPolarHBondContact O-CG 3.49Å; C93-L97 PolarHBondContact O-N 3.09Å
94S95.5Very high93.9Very high45 Ų4559.7 Ų59.732%0.31529%0.294SS..Hα-helixtrans-61.9-43.9177.278.20000112.1T90 F91 C92 M96 L97 I98T90-S94 PolarHBondContact O-N 3.19Å; F91-S94 PolarHBondContact O-N 3.27Å; F91-S94 VanDerWaalsContact O-N 3.16Å; F91-S94 PolarHBondContact O-OG 3.1Å; C92-S94 VanDerWaalsContact C-N 3.34Å; C92-S94 PolarHBondContact O-N 3.39Å; S94-M96 VanDerWaalsContact C-N 3.33Å; S94-M96 PolarHBondContact O-N 2.96Å; S94-L97 PolarHBondContact O-N 3.4Å; S94-I98 VanDerWaalsContact O-CG1 3.28Å; S94-I98 WeakPolarHBondContact O-CG1 3.2Å; S94-I98 PolarHBondContact O-N 3.05Å
95L95.8Very high94Very high25 Ų2562.4 Ų62.413%0.13131%0.311CS..Hα-helixtrans-61.3-40175-67.8178.5000112F91 C92 C93 I98 A99 F157F91-L95 HydrophobicContact CD1-CD1 4.08Å; F91-L95 HydrophobicContact CE1-CD1 3.55Å; F91-L95 HydrophobicContact CE1-CG 4.31Å; F91-L95 HydrophobicContact CZ-CD1 3.88Å; F91-L95 HydrophobicContact CZ-CD2 4.46Å; F91-L95 HydrophobicContact CZ-CG 4.31Å; F91-L95 PolarHBondContact O-N 3.44Å; C92-L95 PolarHBondContact O-N 2.84Å; C93-L95 PolarHBondContact O-N 3.19Å; L95-I98 PolarHBondContact O-N 3.2Å; L95-A99 WeakPolarHBondContact O-CB 3.4Å; L95-A99 PolarHBondContact O-N 3.05Å; L95-F157 HydrophobicContact CB-CD2 4.22Å; L95-F157 HydrophobicContact CB-CG 4.48Å; L95-F157 HydrophobicContact CD1-CB 4.27Å; L95-F157 HydrophobicContact CD2-CB 4.5Å; L95-F157 HydrophobicContact CD2-CD1 4.25Å; L95-F157 HydrophobicContact CD2-CD2 4.48Å; L95-F157 HydrophobicContact CD2-CG 4.15Å; L95-F157 WeakPolarHBondContact O-CE2 3.3Å
96M93.3Very high94Very high87 Ų8758.1 Ų58.143%0.42930%0.298SS..Hα-helixtrans-65.6-38.4175.8-71.2178.968.800112.6L14 Y17 C92 C93 S94 A99 K100L14-M96 HydrophobicContact CD1-CB 4.47Å; L14-M96 HydrophobicContact CD1-CE 3.76Å; Y17-M96 HydrophobicContact CD1-SD 4.34Å; Y17-M96 HydrophobicContact CE1-SD 3.79Å; C92-M96 WeakPolarHBondContact O-CG 3.49Å; C92-M96 PolarHBondContact O-N 3.38Å; C93-M96 PolarHBondContact O-N 3.41Å; S94-M96 VanDerWaalsContact C-N 3.33Å; S94-M96 PolarHBondContact O-N 2.96Å; M96-A99 PolarHBondContact O-N 3.07Å; M96-K100 WeakPolarHBondContact O-CB 3.4Å; M96-K100 VanDerWaalsContact O-CG 3.26Å; M96-K100 WeakPolarHBondContact O-CG 3.34Å; M96-K100 PolarHBondContact O-N 3Å
97L94.8Very high93.9Very high79 Ų7957.7 Ų57.741%0.41429%0.294SS..Hα-helixtrans-66.2-44.4174.9-74.3176000111.4T18 C93 S94 A99 K100 M101T18-L97 HydrophobicContact CG2-CD1 4.21Å; T18-L97 HydrophobicContact CG2-CD2 3.63Å; T18-L97 HydrophobicContact CG2-CG 3.97Å; C93-L97 WeakPolarHBondContact O-CG 3.49Å; C93-L97 PolarHBondContact O-N 3.09Å; S94-L97 PolarHBondContact O-N 3.4Å; L97-A99 VanDerWaalsContact C-N 3.35Å; L97-A99 PolarHBondContact O-N 3.25Å; L97-K100 PolarHBondContact O-N 3.43Å; L97-K100 VanDerWaalsContact O-N 3.16Å; L97-M101 WeakPolarHBondContact O-CG 3.49Å; L97-M101 PolarHBondContact O-N 3.27Å
98I95.9Very high93.8Very high81 Ų8156.2 Ų56.242%0.41529%0.293SS..Hα-helixtrans-60.2-46.4174.5-66.2165.2000109.9S94 L95 K100 M101 I102 F157S94-I98 VanDerWaalsContact O-CG1 3.28Å; S94-I98 WeakPolarHBondContact O-CG1 3.2Å; S94-I98 PolarHBondContact O-N 3.05Å; L95-I98 PolarHBondContact O-N 3.2Å; I98-K100 VanDerWaalsContact C-N 3.25Å; I98-K100 PolarHBondContact O-N 3Å; I98-M101 PolarHBondContact O-N 3.24Å; I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.4Å; I98-I102 WeakPolarHBondContact O-CG1 3.35Å; I98-I102 PolarHBondContact O-N 3.48Å; I98-F157 HydrophobicContact CB-CE2 4.49Å; I98-F157 HydrophobicContact CB-CZ 4.47Å; I98-F157 HydrophobicContact CG2-CE2 4.22Å; I98-F157 HydrophobicContact CG2-CZ 3.77Å
99A94.1Very high93.6Very high19 Ų1961 Ų6116%0.15732%0.324CS..Hα-helixtrans-56.5-41175.600000111.8L95 M96 L97 Q103 F157 M161L95-A99 WeakPolarHBondContact O-CB 3.4Å; L95-A99 PolarHBondContact O-N 3.05Å; M96-A99 PolarHBondContact O-N 3.07Å; L97-A99 VanDerWaalsContact C-N 3.35Å; L97-A99 PolarHBondContact O-N 3.25Å; A99-Q103 VanDerWaalsContact O-CB 3.26Å; A99-Q103 WeakPolarHBondContact O-CB 3.4Å; A99-Q103 PolarHBondContact O-N 3.18Å; A99-F157 HydrophobicContact CB-CD2 4.2Å; A99-F157 HydrophobicContact CB-CE2 3.78Å; A99-M161 HydrophobicContact CB-CE 3.73Å; A99-M161 HydrophobicContact CB-SD 4.45Å
100K93.3Very high93.5Very high98 Ų9860.2 Ų60.243%0.42632%0.319SS..Hα-helixtrans-71.2-37.6179-77.5-82.5173.9-165.60113L14 M96 L97 I98 Q103 Y104L14-K100 HydrophobicContact CD2-CB 4.37Å; L14-K100 HydrophobicContact CD2-CD 3.83Å; L14-K100 HydrophobicContact CD2-CG 3.58Å; M96-K100 WeakPolarHBondContact O-CB 3.4Å; M96-K100 VanDerWaalsContact O-CG 3.26Å; M96-K100 WeakPolarHBondContact O-CG 3.34Å; M96-K100 PolarHBondContact O-N 3Å; L97-K100 PolarHBondContact O-N 3.43Å; L97-K100 VanDerWaalsContact O-N 3.16Å; I98-K100 VanDerWaalsContact C-N 3.25Å; I98-K100 PolarHBondContact O-N 3Å; K100-Q103 WeakPolarHBondContact O-CB 3.39Å; K100-Q103 PolarHBondContact O-N 3.23Å; K100-Y104 WeakPolarHBondContact O-CB 3.18Å; K100-Y104 PolarHBondContact O-N 3.21Å
101M94.3Very high93.4Very high125 Ų12561.8 Ų61.862%0.61632%0.321SS*.Hα-helixtrans-61.9-49.1171.4-78-67.2-74.900111L97 I98 Q103 Y104 V105L97-M101 WeakPolarHBondContact O-CG 3.49Å; L97-M101 PolarHBondContact O-N 3.27Å; I98-M101 PolarHBondContact O-N 3.24Å; M101-Q103 VanDerWaalsContact C-N 3.32Å; M101-Q103 PolarHBondContact O-N 3.18Å; M101-Y104 PolarHBondContact O-N 3.07Å; M101-V105 WeakPolarHBondContact O-CG2 3.42Å; M101-V105 PolarHBondContact O-N 2.96Å
102I95Very high93.1Very high31 Ų3164.3 Ų64.316%0.15934%0.342CS..Hα-helixtrans-59.9-44.1175.4-66.7168.9000110.6I98 Y104 V105 V106 F107 F157 M161 L189I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.4Å; I98-I102 WeakPolarHBondContact O-CG1 3.35Å; I98-I102 PolarHBondContact O-N 3.48Å; I102-Y104 VanDerWaalsContact C-N 3.32Å; I102-Y104 PolarHBondContact O-N 3.01Å; I102-V105 PolarHBondContact O-N 3.22Å; I102-V106 HydrophobicContact CG2-CG2 4.35Å; I102-V106 WeakPolarHBondContact O-CB 3.18Å; I102-V106 PolarHBondContact O-N 2.87Å; I102-F107 HydrophobicContact CG2-CD2 4.3Å; I102-F107 HydrophobicContact CG2-CE2 3.86Å; I102-F157 HydrophobicContact CD1-CZ 4.04Å; I102-M161 HydrophobicContact CG2-SD 4.26Å; I102-L189 HydrophobicContact CD1-CD1 4.22Å; I102-L189 HydrophobicContact CG1-CD1 4.38Å; I102-L189 HydrophobicContact CG2-CD1 3.72Å; I102-L189 HydrophobicContact CG2-CD2 3.53Å; I102-L189 HydrophobicContact CG2-CG 4.29Å
103Q93.9Very high92.8Very high37 Ų3765.6 Ų65.617%0.17335%0.352CS..Iπ-helixtrans-55-47.9175.4-165.3-153.5-46.600111.3A99 K100 M101 F107 G108 L110A99-Q103 VanDerWaalsContact O-CB 3.26Å; A99-Q103 WeakPolarHBondContact O-CB 3.4Å; A99-Q103 PolarHBondContact O-N 3.18Å; K100-Q103 WeakPolarHBondContact O-CB 3.39Å; K100-Q103 PolarHBondContact O-N 3.23Å; M101-Q103 VanDerWaalsContact C-N 3.32Å; M101-Q103 PolarHBondContact O-N 3.18Å; Q103-F107 CarbonylContact O-C 3.48Å; Q103-F107 PolarHBondContact O-N 2.9Å; Q103-F107 VanDerWaalsContact O-N 3.15Å; Q103-G108 PolarHBondContact NE2-O 3.21Å; Q103-G108 PolarHBondContact O-N 3.15Å; Q103-L110 HydrophobicContact CG-CD1 3.65Å; Q103-L110 HydrophobicContact CG-CG 3.85Å
104Y92.6Very high92.7Very high190 Ų19065.3 Ų65.375%0.74535%0.35SS*.Iπ-helixtrans-67.5-46.1-178.7-179.1-102.3000112.6K100 M101 I102K100-Y104 WeakPolarHBondContact O-CB 3.18Å; K100-Y104 PolarHBondContact O-N 3.21Å; M101-Y104 PolarHBondContact O-N 3.07Å; I102-Y104 VanDerWaalsContact C-N 3.32Å; I102-Y104 PolarHBondContact O-N 3.01Å
105V92Very high92.4Very high85 Ų8568.8 Ų68.852%0.51536%0.359SS..Iπ-helixtrans-74.8-43.1-174174.30000112.6M101 I102M101-V105 WeakPolarHBondContact O-CG2 3.42Å; M101-V105 PolarHBondContact O-N 2.96Å; I102-V105 PolarHBondContact O-N 3.22Å
106V93Very high92.1Very high32 Ų3270.9 Ų70.919%0.19437%0.368CS..Iπ-helixtrans-98.3-44.6-170.4-177.50000112I102 R185 V186 L189I102-V106 HydrophobicContact CG2-CG2 4.35Å; I102-V106 WeakPolarHBondContact O-CB 3.18Å; I102-V106 PolarHBondContact O-N 2.87Å; V106-R185 HydrophobicContact CG1-CB 4.33Å; V106-V186 HydrophobicContact CG1-CG2 4.03Å; V106-L189 HydrophobicContact CB-CD2 4.21Å; V106-L189 HydrophobicContact CG1-CB 4.39Å; V106-L189 HydrophobicContact CG1-CD2 3.91Å; V106-L189 HydrophobicContact CG2-CB 4.37Å; V106-L189 HydrophobicContact CG2-CD2 4.15Å
107F90.3Very high91.9Very high17 Ų1771.2 Ų71.28%0.07537%0.368CS..Iπ-helixtrans-105.3-22.9-166.7-58.9-63.8000114.6I102 Q103 L164 R168 V186 L189I102-F107 HydrophobicContact CG2-CD2 4.3Å; I102-F107 HydrophobicContact CG2-CE2 3.86Å; Q103-F107 CarbonylContact O-C 3.48Å; Q103-F107 PolarHBondContact O-N 2.9Å; Q103-F107 VanDerWaalsContact O-N 3.15Å; F107-L164 HydrophobicContact CB-CD2 4.25Å; F107-L164 HydrophobicContact CD1-CD2 3.41Å; F107-L164 VanDerWaalsContact CD1-CD2 3.41Å; F107-L164 HydrophobicContact CD2-CD1 4.2Å; F107-L164 HydrophobicContact CD2-CD2 3.54Å; F107-L164 HydrophobicContact CE1-CD2 3.43Å; F107-L164 VanDerWaalsContact CE1-CD2 3.43Å; F107-L164 HydrophobicContact CE2-CD1 4.27Å; F107-L164 HydrophobicContact CE2-CD2 3.57Å; F107-L164 HydrophobicContact CE2-CG 4.42Å; F107-L164 HydrophobicContact CG-CD2 3.44Å; F107-L164 VanDerWaalsContact CG-CD2 3.44Å; F107-L164 HydrophobicContact CZ-CD2 3.5Å; F107-R168 HydrophobicContact CD1-CB 4.35Å; F107-R168 HydrophobicContact CD1-CG 3.58Å; F107-R168 HydrophobicContact CE1-CB 4.16Å; F107-R168 HydrophobicContact CE1-CG 3.75Å; F107-R168 PolarHBondContact O-NH2 3.29Å; F107-V186 HydrophobicContact CE1-CG2 4.25Å; F107-L189 HydrophobicContact CE1-CD2 4.43Å; F107-L189 HydrophobicContact CE2-CD2 3.43Å; F107-L189 VanDerWaalsContact CE2-CD2 3.43Å; F107-L189 HydrophobicContact CZ-CD2 3.34Å
108G89.2Confident91.7Very high25 Ų2568.8 Ų68.826%0.25836%0.356SS..  trans58.9-134.9-171.800000112.6Q103 L110Q103-G108 PolarHBondContact NE2-O 3.21Å; Q103-G108 PolarHBondContact O-N 3.15Å; G108-L110 PolarHBondContact O-N 3.31Å
109P90.1Very high91.3Very high115 Ų11569.4 Ų69.475%0.74736%0.356SS*.SBendtrans-70.6120.1179.428.5-32.3000111.3R168P109-R168 PolarHBondContact O-NH2 3.34Å
110L90.6Very high90.9Very high24 Ų2470.4 Ų70.413%0.12636%0.358CS..PPolyproline II helixtrans-66.7133173.1-79.7162.5000111.3Q103 G108 E114 K115 L118 L164Q103-L110 HydrophobicContact CG-CD1 3.65Å; Q103-L110 HydrophobicContact CG-CG 3.85Å; G108-L110 PolarHBondContact O-N 3.31Å; L110-E114 HydrophobicContact CD2-CB 4.12Å; L110-K115 HydrophobicContact CB-CD 4.31Å; L110-K115 HydrophobicContact CB-CG 3.83Å; L110-K115 HydrophobicContact CD1-CG 4.5Å; L110-K115 WeakPolarHBondContact O-CE 3.29Å; L110-K115 PolarHBondContact O-NZ 3.46Å; L110-L118 HydrophobicContact CD2-CD1 4.36Å; L110-L164 HydrophobicContact CD2-CD1 3.67Å; L110-L164 HydrophobicContact CD2-CD2 4.08Å; L110-L164 HydrophobicContact CD2-CG 3.94Å
111R90.7Very high90.8Very high71 Ų7170.1 Ų70.127%0.26836%0.357SS..PPolyproline II helixtrans-72.1159.6175.2-63.3178.7-71.9161.3-0.5110.8S113 E114 K115 D167 Y171R111-S113 VanDerWaalsContact C-N 3.33Å; R111-S113 PolarHBondContact O-N 3.39Å; R111-E114 HydrophobicContact CB-CG 4.12Å; R111-E114 WeakPolarHBondContact CB-OE2 3.48Å; R111-E114 IonicContact CZ-OE1 2.75Å; R111-E114 PolarHBondContact N-OE2 3.46Å; R111-E114 VanDerWaalsContact NE-CD 3.27Å; R111-E114 IonicContact NE-OE1 3.35Å; R111-E114 PolarHBondContact NE-OE1 3.02Å; R111-E114 IonicContact NE-OE2 3.96Å; R111-E114 IonicContact NH2-OE1 3.22Å; R111-E114 PolarHBondContact NH2-OE1 3.48Å; R111-E114 PolarHBondContact O-N 3.49Å; R111-K115 WeakPolarHBondContact O-CG 3.33Å; R111-K115 PolarHBondContact O-N 3.17Å; R111-D167 PolarHBondContact NH2-O 3.36Å; R111-Y171 VanDerWaalsContact CZ-CB 3.5Å
112V90.6Very high90.6Very high124 Ų12467.8 Ų67.875%0.75234%0.343SS*.Hα-helixtrans-63-42-178.5-177.80000111.1K115 Q116V112-K115 PolarHBondContact O-N 2.94Å; V112-Q116 WeakPolarHBondContact O-CB 3.32Å; V112-Q116 PolarHBondContact O-N 3.2Å
113S89.2Confident90.3Very high61 Ų6170.6 Ų70.643%0.42735%0.352SS..Hα-helixtrans-60.6-47176.651.20000112.4R111 K115 Q116 H117R111-S113 VanDerWaalsContact C-N 3.33Å; R111-S113 PolarHBondContact O-N 3.39Å; S113-K115 PolarHBondContact O-N 2.84Å; S113-Q116 PolarHBondContact O-N 3.45Å; S113-H117 PolarHBondContact O-N 2.86Å
114E92.7Very high89.9Confident1 Ų169.7 Ų69.71%0.00535%0.349CS..Hα-helixtrans-61.4-44.4178.2-64.5167.8162.700111.8L110 R111 Q116 H117 L118 D167 R168L110-E114 HydrophobicContact CD2-CB 4.12Å; R111-E114 HydrophobicContact CB-CG 4.12Å; R111-E114 WeakPolarHBondContact CB-OE2 3.48Å; R111-E114 IonicContact CZ-OE1 2.75Å; R111-E114 PolarHBondContact N-OE2 3.46Å; R111-E114 VanDerWaalsContact NE-CD 3.27Å; R111-E114 IonicContact NE-OE1 3.35Å; R111-E114 PolarHBondContact NE-OE1 3.02Å; R111-E114 IonicContact NE-OE2 3.96Å; R111-E114 IonicContact NH2-OE1 3.22Å; R111-E114 PolarHBondContact NH2-OE1 3.48Å; R111-E114 PolarHBondContact O-N 3.49Å; E114-Q116 VanDerWaalsContact C-N 3.31Å; E114-Q116 PolarHBondContact O-N 3.2Å; E114-H117 PolarHBondContact O-N 2.61Å; E114-L118 WeakPolarHBondContact O-CB 3.34Å; E114-L118 WeakPolarHBondContact O-CG 3.32Å; E114-L118 PolarHBondContact O-N 3.46Å; E114-D167 HydrophobicContact CG-CB 4.12Å; E114-R168 WeakPolarHBondContact OE1-CD 3.24Å; E114-R168 WeakPolarHBondContact OE1-CG 3.48Å; E114-R168 IonicContact OE1-CZ 3.84Å; E114-R168 IonicContact OE1-NE 2.61Å; E114-R168 PolarHBondContact OE1-NE 3.4Å; E114-R168 IonicContact OE1-NH1 3.96Å; E114-R168 PolarHBondContact OE1-NH1 2.87Å; E114-R168 IonicContact OE1-NH2 2.87Å; E114-R168 IonicContact OE2-CZ 2.61Å; E114-R168 IonicContact OE2-NE 3.03Å; E114-R168 PolarHBondContact OE2-NE 3.1Å; E114-R168 IonicContact OE2-NH1 2.9Å; E114-R168 PolarHBondContact OE2-NH1 2.91Å; E114-R168 IonicContact OE2-NH2 2.66Å; E114-R168 PolarHBondContact OE2-NH2 3.15Å
115K90.1Very high89.9Confident117 Ų11761.8 Ų61.851%0.50932%0.318SS..Hα-helixtrans-60.5-43.1177.1-71.8174-177.1169.20111.5L110 R111 V112 S113 K119L110-K115 HydrophobicContact CB-CD 4.31Å; L110-K115 HydrophobicContact CB-CG 3.83Å; L110-K115 HydrophobicContact CD1-CG 4.5Å; L110-K115 WeakPolarHBondContact O-CE 3.29Å; L110-K115 PolarHBondContact O-NZ 3.46Å; R111-K115 WeakPolarHBondContact O-CG 3.33Å; R111-K115 PolarHBondContact O-N 3.17Å; V112-K115 PolarHBondContact O-N 2.94Å; S113-K115 PolarHBondContact O-N 2.84Å; K115-K119 WeakPolarHBondContact O-CB 3.48Å; K115-K119 PolarHBondContact O-N 3.07Å
116Q89.4Confident89.9Confident70 Ų7061 Ų6133%0.32731%0.31SS..Hα-helixtrans-65.7-49.1-180-174.656.935.600110.9V112 S113 E114 L118 K119 D120V112-Q116 WeakPolarHBondContact O-CB 3.32Å; V112-Q116 PolarHBondContact O-N 3.2Å; S113-Q116 PolarHBondContact O-N 3.45Å; E114-Q116 VanDerWaalsContact C-N 3.31Å; E114-Q116 PolarHBondContact O-N 3.2Å; Q116-L118 VanDerWaalsContact C-N 3.32Å; Q116-L118 PolarHBondContact O-N 2.96Å; Q116-K119 PolarHBondContact O-N 3.32Å; Q116-D120 PolarHBondContact NE2-OD1 2.95Å; Q116-D120 PolarHBondContact NE2-OD2 2.93Å; Q116-D120 VanDerWaalsContact O-CG 3.27Å; Q116-D120 PolarHBondContact O-N 3.34Å
117H87.4Confident89.7Confident93 Ų9364.1 Ų64.143%0.43132%0.321SS..Hα-helixtrans-57.7-43.4176.5-72.6-174.2000112.4S113 E114 D120 K121 D167S113-H117 PolarHBondContact O-N 2.86Å; E114-H117 PolarHBondContact O-N 2.61Å; H117-D120 PolarHBondContact O-N 2.75Å; H117-K121 WeakPolarHBondContact O-CB 3.33Å; H117-K121 VanDerWaalsContact O-CG 3.23Å; H117-K121 WeakPolarHBondContact O-CG 3.47Å; H117-K121 PolarHBondContact O-N 3.35Å; H117-D167 IonicContact CG-OD2 2.63Å; H117-D167 IonicContact ND1-OD1 3.75Å; H117-D167 IonicContact ND1-OD2 2.89Å; H117-D167 PolarHBondContact ND1-OD2 3.34Å
118L90.8Very high89.7Confident28 Ų2866 Ų6615%0.14733%0.328CS..Hα-helixtrans-61.4-46.1176.5-74170.4000112L110 E114 Q116 D120 K121 F122 L160 L164L110-L118 HydrophobicContact CD2-CD1 4.36Å; E114-L118 WeakPolarHBondContact O-CB 3.34Å; E114-L118 WeakPolarHBondContact O-CG 3.32Å; E114-L118 PolarHBondContact O-N 3.46Å; Q116-L118 VanDerWaalsContact C-N 3.32Å; Q116-L118 PolarHBondContact O-N 2.96Å; L118-D120 PolarHBondContact O-N 3.18Å; L118-K121 PolarHBondContact O-N 3.19Å; L118-F122 VanDerWaalsContact O-CB 3.22Å; L118-F122 WeakPolarHBondContact O-CB 3.43Å; L118-F122 PolarHBondContact O-N 3.22Å; L118-L160 HydrophobicContact CD2-CB 4.02Å; L118-L160 HydrophobicContact CD2-CD2 3.92Å; L118-L160 WeakPolarHBondContact CD2-O 3.25Å; L118-L164 HydrophobicContact CD1-CD1 3.83Å; L118-L164 HydrophobicContact CD1-CG 4.18Å; L118-L164 HydrophobicContact CD2-CB 4.32Å
119K88.3Confident89.8Confident95 Ų9565.6 Ų65.641%0.41332%0.32SS..Hα-helixtrans-59.9-47.6178.3-176.8178.1177-176.10110.7K115 Q116 F122 W123K115-K119 WeakPolarHBondContact O-CB 3.48Å; K115-K119 PolarHBondContact O-N 3.07Å; Q116-K119 PolarHBondContact O-N 3.32Å; K119-F122 PolarHBondContact O-N 3.35Å; K119-W123 PolarHBondContact O-N 2.93Å
120D86.6Confident89.9Confident40 Ų4066 Ų6621%0.21431%0.31CS..Hα-helixtrans-66.1-43.9-177.7-63.3-19.4000110.9Q116 H117 L118 F122 N124Q116-D120 PolarHBondContact NE2-OD1 2.95Å; Q116-D120 PolarHBondContact NE2-OD2 2.93Å; Q116-D120 VanDerWaalsContact O-CG 3.27Å; Q116-D120 PolarHBondContact O-N 3.34Å; H117-D120 PolarHBondContact O-N 2.75Å; L118-D120 PolarHBondContact O-N 3.18Å; D120-F122 PolarHBondContact O-N 3.42Å; D120-N124 VanDerWaalsContact O-CB 3.32Å; D120-N124 WeakPolarHBondContact O-CB 3.45Å; D120-N124 VanDerWaalsContact O-CG 3.3Å; D120-N124 PolarHBondContact O-N 3.14Å; D120-N124 PolarHBondContact O-ND2 3.48Å
121K89.4Confident89.8Confident92 Ų9266.2 Ų66.240%0.431%0.311SS..Hα-helixtrans-64-40.4176.2-69.5-66.3-176.2-174.50112.5H117 L118 F125 L160H117-K121 WeakPolarHBondContact O-CB 3.33Å; H117-K121 VanDerWaalsContact O-CG 3.23Å; H117-K121 WeakPolarHBondContact O-CG 3.47Å; H117-K121 PolarHBondContact O-N 3.35Å; L118-K121 PolarHBondContact O-N 3.19Å; K121-F125 VanDerWaalsContact O-CB 3.3Å; K121-F125 WeakPolarHBondContact O-CB 3.47Å; K121-F125 PolarHBondContact O-N 3.42Å; K121-L160 HydrophobicContact CB-CD2 4.03Å
122F91.7Very high89.8Confident75 Ų7563.2 Ų63.233%0.32930%0.3SS..Hα-helixtrans-62.7-50.7178.8175.5-108.6000112.2L118 K119 D120 F125 I126 V156 L160L118-F122 VanDerWaalsContact O-CB 3.22Å; L118-F122 WeakPolarHBondContact O-CB 3.43Å; L118-F122 PolarHBondContact O-N 3.22Å; K119-F122 PolarHBondContact O-N 3.35Å; D120-F122 PolarHBondContact O-N 3.42Å; F122-F125 PolarHBondContact O-N 3.48Å; F122-I126 HydrophobicContact CD1-CD1 4Å; F122-I126 HydrophobicContact CD2-CD1 4.16Å; F122-I126 HydrophobicContact CE1-CD1 3.41Å; F122-I126 VanDerWaalsContact CE1-CD1 3.41Å; F122-I126 HydrophobicContact CE2-CD1 3.61Å; F122-I126 HydrophobicContact CE2-CG1 4.3Å; F122-I126 HydrophobicContact CG-CD1 4.38Å; F122-I126 HydrophobicContact CZ-CD1 3.23Å; F122-I126 HydrophobicContact CZ-CG1 4.35Å; F122-I126 PolarHBondContact O-N 3.49Å; F122-V156 HydrophobicContact CD2-CG2 4.05Å; F122-L160 HydrophobicContact CB-CD1 4.15Å; F122-L160 HydrophobicContact CB-CD2 4.28Å; F122-L160 HydrophobicContact CD2-CD1 3.87Å; F122-L160 HydrophobicContact CG-CD1 4.42Å
123W88.4Confident89.9Confident90 Ų9057.8 Ų57.834%0.34127%0.266SS..Hα-helixtrans-66.6-41.3-179.6-78.3108.8000112.5K119 F125 I126 F127 I431K119-W123 PolarHBondContact O-N 2.93Å; W123-F125 VanDerWaalsContact C-N 3.32Å; W123-F125 PolarHBondContact O-N 3.06Å; W123-I126 PolarHBondContact O-N 3.47Å; W123-F127 WeakPolarHBondContact O-CB 3.25Å; W123-F127 PolarHBondContact O-N 3.04Å; W123-I431 HydrophobicContact CB-CG2 3.66Å; W123-I431 HydrophobicContact CG-CG2 4.18Å
124N86Confident89.9Confident19 Ų1959.5 Ų59.510%0.10227%0.266CS..Hα-helixtrans-57.7-47172.9-78.8-54.6000110.6D120 I126 F127 Y128 I431D120-N124 VanDerWaalsContact O-CB 3.32Å; D120-N124 WeakPolarHBondContact O-CB 3.45Å; D120-N124 VanDerWaalsContact O-CG 3.3Å; D120-N124 PolarHBondContact O-N 3.14Å; D120-N124 PolarHBondContact O-ND2 3.48Å; N124-I126 PolarHBondContact O-N 2.93Å; N124-F127 PolarHBondContact O-N 3.1Å; N124-Y128 HydrophobicContact CB-CE2 4.47Å; N124-Y128 WeakPolarHBondContact O-CD2 3.37Å; N124-Y128 PolarHBondContact O-N 3.15Å; N124-I431 PolarHBondContact OD1-O 3.41Å
125F92.3Very high89.7Confident24 Ų2460.9 Ų60.911%0.10528%0.281CS..Hα-helixtrans-59-49.9179-177.1-83.7000112.1K121 F122 W123 F127 Y128 K129 F152 L155 V156K121-F125 VanDerWaalsContact O-CB 3.3Å; K121-F125 WeakPolarHBondContact O-CB 3.47Å; K121-F125 PolarHBondContact O-N 3.42Å; F122-F125 PolarHBondContact O-N 3.48Å; W123-F125 VanDerWaalsContact C-N 3.32Å; W123-F125 PolarHBondContact O-N 3.06Å; F125-F127 VanDerWaalsContact C-N 3.31Å; F125-F127 PolarHBondContact O-N 3.27Å; F125-Y128 PolarHBondContact O-N 3.06Å; F125-K129 HydrophobicContact CD1-CG 3.88Å; F125-K129 HydrophobicContact CE1-CB 4.44Å; F125-K129 HydrophobicContact CE1-CD 4.47Å; F125-K129 HydrophobicContact CE1-CG 3.44Å; F125-K129 VanDerWaalsContact CE1-CG 3.44Å; F125-K129 HydrophobicContact CE2-CG 4.26Å; F125-K129 HydrophobicContact CG-CG 4.45Å; F125-K129 HydrophobicContact CZ-CD 4.24Å; F125-K129 HydrophobicContact CZ-CG 3.67Å; F125-K129 WeakPolarHBondContact O-CG 3.49Å; F125-K129 PolarHBondContact O-N 2.91Å; F125-F152 HydrophobicContact CE1-CB 4.11Å; F125-F152 HydrophobicContact CZ-CB 4.29Å; F125-F152 HydrophobicContact CZ-CD1 4.21Å; F125-L155 HydrophobicContact CZ-CB 4.49Å; F125-V156 HydrophobicContact CB-CG2 4.14Å; F125-V156 HydrophobicContact CD1-CB 3.66Å; F125-V156 HydrophobicContact CD1-CG2 3.47Å; F125-V156 VanDerWaalsContact CD1-CG2 3.47Å; F125-V156 HydrophobicContact CD2-CG2 4.34Å; F125-V156 HydrophobicContact CE1-CB 3.51Å; F125-V156 HydrophobicContact CE1-CG1 4.44Å; F125-V156 HydrophobicContact CE1-CG2 3.9Å; F125-V156 HydrophobicContact CE2-CB 4.48Å; F125-V156 HydrophobicContact CG-CB 4.24Å; F125-V156 HydrophobicContact CG-CG2 3.72Å; F125-V156 HydrophobicContact CZ-CB 3.95Å; F125-V156 HydrophobicContact CZ-CG2 4.48Å
126I90.9Very high89.6Confident69 Ų6956 Ų5635%0.35426%0.261SS..Hα-helixtrans-57.8-46.7178.5-72.7178000110.8F122 W123 N124 Y128 K129 F130F122-I126 HydrophobicContact CD1-CD1 4Å; F122-I126 HydrophobicContact CD2-CD1 4.16Å; F122-I126 HydrophobicContact CE1-CD1 3.41Å; F122-I126 VanDerWaalsContact CE1-CD1 3.41Å; F122-I126 HydrophobicContact CE2-CD1 3.61Å; F122-I126 HydrophobicContact CE2-CG1 4.3Å; F122-I126 HydrophobicContact CG-CD1 4.38Å; F122-I126 HydrophobicContact CZ-CD1 3.23Å; F122-I126 HydrophobicContact CZ-CG1 4.35Å; F122-I126 PolarHBondContact O-N 3.49Å; W123-I126 PolarHBondContact O-N 3.47Å; N124-I126 PolarHBondContact O-N 2.93Å; I126-Y128 PolarHBondContact O-N 3.44Å; I126-K129 PolarHBondContact O-N 3.36Å; I126-F130 WeakPolarHBondContact O-CB 3.35Å; I126-F130 PolarHBondContact O-N 2.96Å
127F89.3Confident89.5Confident96 Ų9654.5 Ų54.542%0.42126%0.255SS..Hα-helixtrans-59.5-47-179.5177.9-91.1000111.8W123 N124 F125 F130 I131 W434W123-F127 WeakPolarHBondContact O-CB 3.25Å; W123-F127 PolarHBondContact O-N 3.04Å; N124-F127 PolarHBondContact O-N 3.1Å; F125-F127 VanDerWaalsContact C-N 3.31Å; F125-F127 PolarHBondContact O-N 3.27Å; F127-F130 PolarHBondContact O-N 3.35Å; F127-I131 HydrophobicContact CD1-CD1 4.02Å; F127-I131 HydrophobicContact CE1-CD1 3.27Å; F127-I131 HydrophobicContact CE1-CG1 4.37Å; F127-I131 HydrophobicContact CE2-CD1 4.28Å; F127-I131 HydrophobicContact CZ-CD1 3.46Å; F127-I131 VanDerWaalsContact CZ-CD1 3.46Å; F127-I131 HydrophobicContact CZ-CG1 4.45Å; F127-I131 PolarHBondContact O-N 2.86Å; F127-W434 HydrophobicContact CD1-CZ2 4.25Å; F127-W434 HydrophobicContact CE1-CH2 4.22Å; F127-W434 AromaticContact CE1-CZ2 3.38Å; F127-W434 HydrophobicContact CE1-CZ2 3.38Å; F127-W434 HydrophobicContact CZ-CZ2 4.08Å
128Y90.2Very high89.5Confident56 Ų5655 Ų5522%0.2226%0.261CS..Hα-helixtrans-65.2-40.6177.1-76.6-66.3000112.7N124 F125 I126 F130 I131 F132 Q297 W434N124-Y128 HydrophobicContact CB-CE2 4.47Å; N124-Y128 WeakPolarHBondContact O-CD2 3.37Å; N124-Y128 PolarHBondContact O-N 3.15Å; F125-Y128 PolarHBondContact O-N 3.06Å; I126-Y128 PolarHBondContact O-N 3.44Å; Y128-F130 VanDerWaalsContact C-N 3.34Å; Y128-I131 PolarHBondContact O-N 3.22Å; Y128-F132 WeakPolarHBondContact O-CB 3.32Å; Y128-F132 PolarHBondContact O-N 2.64Å; Y128-Q297 PolarHBondContact OH-OE1 2.64Å; Y128-Q297 VanDerWaalsContact OH-OE1 3.13Å; Y128-W434 HydrophobicContact CE1-CD2 4.17Å; Y128-W434 HydrophobicContact CE1-CE3 4.22Å; Y128-W434 HydrophobicContact CE1-CH2 4.47Å; Y128-W434 HydrophobicContact CE1-CZ2 4.42Å; Y128-W434 HydrophobicContact CE1-CZ3 4.36Å; Y128-W434 AromaticContact CZ-CD2 3.81Å; Y128-W434 AromaticContact CZ-CE2 3.99Å; Y128-W434 AromaticContact CZ-CG 3.98Å; Y128-W434 WeakPolarHBondContact OH-CB 3.15Å
129K91.9Very high89.4Confident18 Ų1854.2 Ų54.28%0.07826%0.257CS..Hα-helixtrans-69.7-31.5178.5-64.3-45.9176.1-160.50113F125 I126 F132 I133 F152 E222F125-K129 HydrophobicContact CD1-CG 3.88Å; F125-K129 HydrophobicContact CE1-CB 4.44Å; F125-K129 HydrophobicContact CE1-CD 4.47Å; F125-K129 HydrophobicContact CE1-CG 3.44Å; F125-K129 VanDerWaalsContact CE1-CG 3.44Å; F125-K129 HydrophobicContact CE2-CG 4.26Å; F125-K129 HydrophobicContact CG-CG 4.45Å; F125-K129 HydrophobicContact CZ-CD 4.24Å; F125-K129 HydrophobicContact CZ-CG 3.67Å; F125-K129 WeakPolarHBondContact O-CG 3.49Å; F125-K129 PolarHBondContact O-N 2.91Å; I126-K129 PolarHBondContact O-N 3.36Å; K129-F132 PolarHBondContact O-N 2.79Å; K129-I133 VanDerWaalsContact O-CG1 3.27Å; K129-I133 WeakPolarHBondContact O-CG1 3.42Å; K129-I133 PolarHBondContact O-N 2.92Å; K129-F152 HydrophobicContact CB-CD2 4.23Å; K129-F152 HydrophobicContact CB-CG 4.4Å; K129-F152 HydrophobicContact CD-CD1 3.8Å; K129-F152 HydrophobicContact CD-CD2 4.3Å; K129-F152 HydrophobicContact CD-CE1 3.7Å; K129-F152 HydrophobicContact CD-CE2 4.19Å; K129-F152 HydrophobicContact CD-CG 4.13Å; K129-F152 HydrophobicContact CD-CZ 3.9Å; K129-F152 HydrophobicContact CG-CB 4.4Å; K129-F152 HydrophobicContact CG-CD1 4.06Å; K129-F152 HydrophobicContact CG-CD2 4.23Å; K129-F152 HydrophobicContact CG-CE1 4.43Å; K129-F152 HydrophobicContact CG-CG 3.97Å; K129-E222 IonicContact NZ-OE1 3.13Å; K129-E222 PolarHBondContact NZ-OE1 3.46Å; K129-E222 IonicContact NZ-OE2 3.62Å
130F91.4Very high89.3Confident123 Ų12357.4 Ų57.454%0.53927%0.274SS..Hα-helixtrans-61.6-49.5170.6-177.8-90.7000111.6I126 F127 Y128 F132 I133 F134I126-F130 WeakPolarHBondContact O-CB 3.35Å; I126-F130 PolarHBondContact O-N 2.96Å; F127-F130 PolarHBondContact O-N 3.35Å; Y128-F130 VanDerWaalsContact C-N 3.34Å; F130-F132 VanDerWaalsContact C-N 3.28Å; F130-F132 PolarHBondContact O-N 3.2Å; F130-I133 PolarHBondContact O-N 2.85Å; F130-F134 HydrophobicContact CD1-CD2 4.32Å; F130-F134 AromaticContact CD2-CD2 3.64Å; F130-F134 HydrophobicContact CD2-CD2 3.64Å; F130-F134 AromaticContact CD2-CE2 3.55Å; F130-F134 HydrophobicContact CD2-CE2 3.55Å; F130-F134 HydrophobicContact CE1-CD2 4.12Å; F130-F134 AromaticContact CE2-CD2 3.42Å; F130-F134 HydrophobicContact CE2-CD2 3.42Å; F130-F134 VanDerWaalsContact CE2-CD2 3.42Å; F130-F134 AromaticContact CE2-CE2 3.28Å; F130-F134 HydrophobicContact CE2-CE2 3.28Å; F130-F134 HydrophobicContact CE2-CZ 4.39Å; F130-F134 HydrophobicContact CG-CD2 4.09Å; F130-F134 HydrophobicContact CG-CE2 4.41Å; F130-F134 AromaticContact CZ-CD2 3.67Å; F130-F134 HydrophobicContact CZ-CD2 3.67Å; F130-F134 AromaticContact CZ-CE2 3.97Å; F130-F134 HydrophobicContact CZ-CE2 3.97Å; F130-F134 WeakPolarHBondContact O-CD2 3.33Å; F130-F134 PolarHBondContact O-N 3.41Å; F130-F134 VanDerWaalsContact O-N 3.16Å
131I89.2Confident89.5Confident29 Ų2958.6 Ų58.615%0.14928%0.282CS..Hα-helixtrans-61.8-38.8175.9-66176.7000111F127 Y128 G135 V136 A290 V293F127-I131 HydrophobicContact CD1-CD1 4.02Å; F127-I131 HydrophobicContact CE1-CD1 3.27Å; F127-I131 HydrophobicContact CE1-CG1 4.37Å; F127-I131 HydrophobicContact CE2-CD1 4.28Å; F127-I131 HydrophobicContact CZ-CD1 3.46Å; F127-I131 VanDerWaalsContact CZ-CD1 3.46Å; F127-I131 HydrophobicContact CZ-CG1 4.45Å; F127-I131 PolarHBondContact O-N 2.86Å; Y128-I131 PolarHBondContact O-N 3.22Å; I131-G135 WeakPolarHBondContact O-CA 3.39Å; I131-G135 PolarHBondContact O-N 2.78Å; I131-V136 PolarHBondContact O-N 3.22Å; I131-A290 HydrophobicContact CG2-CB 3.79Å; I131-V293 HydrophobicContact CD1-CG1 4.03Å; I131-V293 HydrophobicContact CD1-CG2 4.18Å; I131-V293 HydrophobicContact CG2-CG1 4.41Å
132F91Very high89.5Confident7 Ų758.3 Ų58.33%0.03129%0.288CS..Iπ-helixtrans-63.4-50.8178.2175-101.5000112.5Y128 K129 F130 V136 L137 W148 F152 F218 M279Y128-F132 WeakPolarHBondContact O-CB 3.32Å; Y128-F132 PolarHBondContact O-N 2.64Å; K129-F132 PolarHBondContact O-N 2.79Å; F130-F132 VanDerWaalsContact C-N 3.28Å; F130-F132 PolarHBondContact O-N 3.2Å; F132-V136 HydrophobicContact CD2-CB 4.03Å; F132-V136 HydrophobicContact CD2-CG1 4.33Å; F132-V136 HydrophobicContact CD2-CG2 4.3Å; F132-V136 HydrophobicContact CE2-CB 4.4Å; F132-V136 HydrophobicContact CE2-CG1 4.27Å; F132-V136 WeakPolarHBondContact O-CA 3.46Å; F132-V136 WeakPolarHBondContact O-CB 3Å; F132-V136 PolarHBondContact O-N 3.15Å; F132-L137 HydrophobicContact CD1-CD1 3.95Å; F132-L137 HydrophobicContact CD1-CG 4.28Å; F132-L137 HydrophobicContact CE1-CD1 3.24Å; F132-L137 HydrophobicContact CE1-CD2 4.34Å; F132-L137 HydrophobicContact CE1-CG 3.66Å; F132-L137 HydrophobicContact CE2-CG 4.24Å; F132-L137 HydrophobicContact CZ-CD1 3.68Å; F132-L137 HydrophobicContact CZ-CD2 3.9Å; F132-L137 HydrophobicContact CZ-CG 3.63Å; F132-L137 PolarHBondContact O-N 3.34Å; F132-W148 HydrophobicContact CE1-CE3 4.43Å; F132-W148 HydrophobicContact CE1-CZ3 4.25Å; F132-F152 AromaticContact CD1-CE2 3.78Å; F132-F152 HydrophobicContact CD1-CE2 3.78Å; F132-F152 AromaticContact CD1-CZ 3.62Å; F132-F152 HydrophobicContact CD1-CZ 3.62Å; F132-F152 AromaticContact CE1-CE2 3.91Å; F132-F152 HydrophobicContact CE1-CE2 3.91Å; F132-F152 AromaticContact CE1-CZ 3.49Å; F132-F152 HydrophobicContact CE1-CZ 3.49Å; F132-F152 VanDerWaalsContact CE1-CZ 3.49Å; F132-F218 AromaticContact CE2-CD1 3.85Å; F132-F218 HydrophobicContact CE2-CD1 3.85Å; F132-F218 HydrophobicContact CE2-CE1 4.18Å; F132-F218 HydrophobicContact CE2-CG 4.23Å; F132-F218 HydrophobicContact CZ-CB 3.96Å; F132-F218 AromaticContact CZ-CD1 3.96Å; F132-F218 HydrophobicContact CZ-CD1 3.96Å; F132-F218 HydrophobicContact CZ-CD2 4.46Å; F132-F218 AromaticContact CZ-CG 3.88Å; F132-F218 HydrophobicContact CZ-CG 3.88Å; F132-M279 HydrophobicContact CD2-CG 4.25Å; F132-M279 HydrophobicContact CD2-SD 3.44Å; F132-M279 WeakPolarHBondContact CD2-SD 3.28Å; F132-M279 HydrophobicContact CE2-CG 3.99Å; F132-M279 HydrophobicContact CE2-SD 3.71Å
133I91.7Very high89.3Confident10 Ų1062.2 Ų62.25%0.05131%0.307CS..Iπ-helixtrans-63.4-50.8-177.2-67.9167.2000111.2K129 F130 N138 V139 V145 W148 F152K129-I133 VanDerWaalsContact O-CG1 3.27Å; K129-I133 WeakPolarHBondContact O-CG1 3.42Å; K129-I133 PolarHBondContact O-N 2.92Å; F130-I133 PolarHBondContact O-N 2.85Å; I133-N138 PolarHBondContact O-N 3.12Å; I133-N138 VanDerWaalsContact O-N 3.17Å; I133-V139 HydrophobicContact CG2-CB 4.29Å; I133-V139 HydrophobicContact CG2-CG2 4.22Å; I133-V139 PolarHBondContact O-N 2.93Å; I133-V145 HydrophobicContact CG2-CG2 4.32Å; I133-W148 HydrophobicContact CD1-CB 4.16Å; I133-W148 HydrophobicContact CG1-CB 4.26Å; I133-F152 HydrophobicContact CD1-CD2 4.01Å; I133-F152 HydrophobicContact CD1-CE2 4.13Å; I133-F152 HydrophobicContact CG1-CD2 4.39Å; I133-F152 HydrophobicContact CG1-CE2 3.99Å
134F89.7Confident89.4Confident97 Ų9762.1 Ų62.143%0.42531%0.311SS..Iπ-helixtrans-87.5-29-174.2-64.9-67.1000113.4F130 V145F130-F134 HydrophobicContact CD1-CD2 4.32Å; F130-F134 AromaticContact CD2-CD2 3.64Å; F130-F134 HydrophobicContact CD2-CD2 3.64Å; F130-F134 AromaticContact CD2-CE2 3.55Å; F130-F134 HydrophobicContact CD2-CE2 3.55Å; F130-F134 HydrophobicContact CE1-CD2 4.12Å; F130-F134 AromaticContact CE2-CD2 3.42Å; F130-F134 HydrophobicContact CE2-CD2 3.42Å; F130-F134 VanDerWaalsContact CE2-CD2 3.42Å; F130-F134 AromaticContact CE2-CE2 3.28Å; F130-F134 HydrophobicContact CE2-CE2 3.28Å; F130-F134 HydrophobicContact CE2-CZ 4.39Å; F130-F134 HydrophobicContact CG-CD2 4.09Å; F130-F134 HydrophobicContact CG-CE2 4.41Å; F130-F134 AromaticContact CZ-CD2 3.67Å; F130-F134 HydrophobicContact CZ-CD2 3.67Å; F130-F134 AromaticContact CZ-CE2 3.97Å; F130-F134 HydrophobicContact CZ-CE2 3.97Å; F130-F134 WeakPolarHBondContact O-CD2 3.33Å; F130-F134 PolarHBondContact O-N 3.41Å; F130-F134 VanDerWaalsContact O-N 3.16Å; F134-V145 HydrophobicContact CE1-CG2 4.39Å
135G87.6Confident89.7Confident31 Ų3162.1 Ų62.132%0.3231%0.311SS..Iπ-helixtrans-93.8-42.1-175.500000114.4I131I131-G135 WeakPolarHBondContact O-CA 3.39Å; I131-G135 PolarHBondContact O-N 2.78Å
136V88Confident89.7Confident15 Ų1561.5 Ų61.59%0.09131%0.31CS..Iπ-helixtrans-96.6-54.9-175.3-177.70000111.1I131 F132 N138 M279 I294I131-V136 PolarHBondContact O-N 3.22Å; F132-V136 HydrophobicContact CD2-CB 4.03Å; F132-V136 HydrophobicContact CD2-CG1 4.33Å; F132-V136 HydrophobicContact CD2-CG2 4.3Å; F132-V136 HydrophobicContact CE2-CB 4.4Å; F132-V136 HydrophobicContact CE2-CG1 4.27Å; F132-V136 WeakPolarHBondContact O-CA 3.46Å; F132-V136 WeakPolarHBondContact O-CB 3Å; F132-V136 PolarHBondContact O-N 3.15Å; V136-N138 VanDerWaalsContact C-N 3.27Å; V136-N138 PolarHBondContact O-N 2.94Å; V136-M279 HydrophobicContact CG1-CB 4.2Å; V136-M279 HydrophobicContact CG1-CG 4.35Å; V136-I294 HydrophobicContact CG2-CD1 3.65Å
137L87.5Confident89.7Confident38 Ų3863.5 Ų63.520%0.19932%0.319CS..SBendtrans-72.7-23.3178.9-68.5179.9000112.4F132 V139 W148 F218F132-L137 HydrophobicContact CD1-CD1 3.95Å; F132-L137 HydrophobicContact CD1-CG 4.28Å; F132-L137 HydrophobicContact CE1-CD1 3.24Å; F132-L137 HydrophobicContact CE1-CD2 4.34Å; F132-L137 HydrophobicContact CE1-CG 3.66Å; F132-L137 HydrophobicContact CE2-CG 4.24Å; F132-L137 HydrophobicContact CZ-CD1 3.68Å; F132-L137 HydrophobicContact CZ-CD2 3.9Å; F132-L137 HydrophobicContact CZ-CG 3.63Å; F132-L137 PolarHBondContact O-N 3.34Å; L137-V139 HydrophobicContact CB-CG2 3.64Å; L137-V139 HydrophobicContact CD1-CG2 4.26Å; L137-V139 PolarHBondContact O-N 3.35Å; L137-W148 HydrophobicContact CD1-CD2 3.78Å; L137-W148 HydrophobicContact CD1-CE3 4.37Å; L137-W148 HydrophobicContact CD1-CG 4.19Å; L137-W148 HydrophobicContact CD1-CH2 4.2Å; L137-W148 HydrophobicContact CD1-CZ2 3.58Å; L137-W148 HydrophobicContact CD2-CZ2 4.37Å; L137-F218 HydrophobicContact CD2-CD2 3.84Å; L137-F218 HydrophobicContact CD2-CE2 4.01Å
138N87.8Confident89.9Confident102 Ų10260.3 Ų60.355%0.54530%0.304SS..  trans48.745.5-178.2-170.623.4000111.9I133 V136 Q140I133-N138 PolarHBondContact O-N 3.12Å; I133-N138 VanDerWaalsContact O-N 3.17Å; V136-N138 VanDerWaalsContact C-N 3.27Å; V136-N138 PolarHBondContact O-N 2.94Å; N138-Q140 PolarHBondContact O-N 3.15Å
139V88.6Confident90.1Very high12 Ų1259.4 Ų59.47%0.07331%0.306CS..  trans-68.3125-178.5-1760000109.5I133 L137 T141 E144 V145I133-V139 HydrophobicContact CG2-CB 4.29Å; I133-V139 HydrophobicContact CG2-CG2 4.22Å; I133-V139 PolarHBondContact O-N 2.93Å; L137-V139 HydrophobicContact CB-CG2 3.64Å; L137-V139 HydrophobicContact CD1-CG2 4.26Å; L137-V139 PolarHBondContact O-N 3.35Å; V139-T141 WeakPolarHBondContact CG1-O 3.42Å; V139-E144 HydrophobicContact CG1-CB 3.31Å; V139-E144 HydrophobicContact CG1-CG 4.42Å; V139-V145 HydrophobicContact CB-CG2 4.05Å; V139-V145 HydrophobicContact CG1-CG2 3.57Å
140Q86.6Confident90.2Very high162 Ų16261.3 Ų61.376%0.75732%0.316SS*.  trans-107.6-20.9-179.1-63.4-179-100112.8N138N138-Q140 PolarHBondContact O-N 3.15Å
141T90.8Very high90.3Very high65 Ų6556.9 Ų56.940%0.39930%0.296SS..SBendtrans-92.7137.8-178.357.30000110.8V139 E143 E144 V145V139-T141 WeakPolarHBondContact CG1-O 3.42Å; T141-E143 VanDerWaalsContact C-N 3.29Å; T141-E143 PolarHBondContact O-N 2.73Å; T141-E144 PolarHBondContact O-N 2.81Å; T141-E144 WeakPolarHBondContact OG1-CB 3.5Å; T141-E144 WeakPolarHBondContact OG1-CG 3.19Å; T141-E144 PolarHBondContact OG1-OE1 3.43Å; T141-V145 WeakPolarHBondContact O-CG2 2.95Å; T141-V145 PolarHBondContact O-N 3.36Å
142V88.7Confident90.6Very high87 Ų8756 Ų5653%0.52729%0.291SS..Hα-helixtrans-64.3-36.4-178.8178.90000111.2W85 E144 V145 V146W85-V142 HydrophobicContact CZ2-CG1 4.19Å; V142-E144 PolarHBondContact O-N 3.37Å; V142-V145 PolarHBondContact O-N 3.4Å; V142-V146 HydrophobicContact CG1-CG2 4.31Å; V142-V146 WeakPolarHBondContact O-CG2 3.16Å; V142-V146 PolarHBondContact O-N 3.26Å
143E88.6Confident90.8Very high156 Ų15656.9 Ų56.973%0.72930%0.298SS*.Hα-helixtrans-60.7-46.1179.5-64.1177.2-169.100112.2T141 V146 M147T141-E143 VanDerWaalsContact C-N 3.29Å; T141-E143 PolarHBondContact O-N 2.73Å; E143-V146 PolarHBondContact O-N 2.97Å; E143-M147 WeakPolarHBondContact O-CG 3.17Å; E143-M147 PolarHBondContact O-N 3.34Å
144E90.3Very high91Very high88 Ų8857.3 Ų57.341%0.41130%0.303SS..Hα-helixtrans-65.1-40.9176.5-73.4174.1-145.500111.7V139 T141 V142 V146 M147 W148V139-E144 HydrophobicContact CG1-CB 3.31Å; V139-E144 HydrophobicContact CG1-CG 4.42Å; T141-E144 PolarHBondContact O-N 2.81Å; T141-E144 WeakPolarHBondContact OG1-CB 3.5Å; T141-E144 WeakPolarHBondContact OG1-CG 3.19Å; T141-E144 PolarHBondContact OG1-OE1 3.43Å; V142-E144 PolarHBondContact O-N 3.37Å; E144-V146 VanDerWaalsContact C-N 3.3Å; E144-V146 PolarHBondContact O-N 3.33Å; E144-M147 HydrophobicContact CB-CE 4.41Å; E144-M147 HydrophobicContact CG-CE 4.02Å; E144-M147 PolarHBondContact O-N 3.3Å; E144-W148 PolarHBondContact O-N 3.35Å
145V92.1Very high91.3Very high19 Ų1952.8 Ų52.812%0.11528%0.283CS..Hα-helixtrans-58.9-44.8175.1174.90000110.3I133 F134 V139 T141 V142 W148 C149I133-V145 HydrophobicContact CG2-CG2 4.32Å; F134-V145 HydrophobicContact CE1-CG2 4.39Å; V139-V145 HydrophobicContact CB-CG2 4.05Å; V139-V145 HydrophobicContact CG1-CG2 3.57Å; T141-V145 WeakPolarHBondContact O-CG2 2.95Å; T141-V145 PolarHBondContact O-N 3.36Å; V142-V145 PolarHBondContact O-N 3.4Å; V145-W148 PolarHBondContact O-N 2.97Å; V145-C149 WeakPolarHBondContact O-CB 3.33Å; V145-C149 PolarHBondContact O-N 3.18Å; V145-C149 PolarHBondContact O-SG 3.13Å
146V92.4Very high91.7Very high11 Ų1152 Ų527%0.06727%0.273CS..Hα-helixtrans-60.7-46.3178.21670000111.4V84 W85 V88 V142 E143 E144 W148 C149 L150V84-V146 HydrophobicContact CG1-CB 4.34Å; V84-V146 HydrophobicContact CG1-CG1 3.72Å; V84-V146 HydrophobicContact CG1-CG2 3.87Å; W85-V146 HydrophobicContact CH2-CG2 4.4Å; W85-V146 HydrophobicContact CZ2-CG2 4.27Å; V88-V146 HydrophobicContact CG2-CG1 3.68Å; V142-V146 HydrophobicContact CG1-CG2 4.31Å; V142-V146 WeakPolarHBondContact O-CG2 3.16Å; V142-V146 PolarHBondContact O-N 3.26Å; E143-V146 PolarHBondContact O-N 2.97Å; E144-V146 VanDerWaalsContact C-N 3.3Å; E144-V146 PolarHBondContact O-N 3.33Å; V146-W148 PolarHBondContact O-N 3.46Å; V146-C149 PolarHBondContact O-N 3.37Å; V146-L150 HydrophobicContact CG1-CD1 4.16Å; V146-L150 WeakPolarHBondContact O-CG 3.23Å; V146-L150 PolarHBondContact O-N 2.84Å
147M91Very high92.1Very high111 Ų11152.6 Ų52.655%0.54727%0.274SS..Hα-helixtrans-59.4-46.2177.4-71.4-172.5-7400111.9E143 E144 L150 W151E143-M147 WeakPolarHBondContact O-CG 3.17Å; E143-M147 PolarHBondContact O-N 3.34Å; E144-M147 HydrophobicContact CB-CE 4.41Å; E144-M147 HydrophobicContact CG-CE 4.02Å; E144-M147 PolarHBondContact O-N 3.3Å; M147-L150 PolarHBondContact O-N 2.83Å; M147-W151 WeakPolarHBondContact O-CB 3.39Å; M147-W151 PolarHBondContact O-N 2.96Å
148W93.5Very high92.6Very high29 Ų2951.1 Ų51.111%0.1127%0.266CS..Hα-helixtrans-65.1-38.9175.9-78.3111000112.7F132 I133 L137 E144 V145 V146 W151 F152 T215 F218F132-W148 HydrophobicContact CE1-CE3 4.43Å; F132-W148 HydrophobicContact CE1-CZ3 4.25Å; I133-W148 HydrophobicContact CD1-CB 4.16Å; I133-W148 HydrophobicContact CG1-CB 4.26Å; L137-W148 HydrophobicContact CD1-CD2 3.78Å; L137-W148 HydrophobicContact CD1-CE3 4.37Å; L137-W148 HydrophobicContact CD1-CG 4.19Å; L137-W148 HydrophobicContact CD1-CH2 4.2Å; L137-W148 HydrophobicContact CD1-CZ2 3.58Å; L137-W148 HydrophobicContact CD2-CZ2 4.37Å; E144-W148 PolarHBondContact O-N 3.35Å; V145-W148 PolarHBondContact O-N 2.97Å; V146-W148 PolarHBondContact O-N 3.46Å; W148-W151 PolarHBondContact O-N 2.64Å; W148-F152 HydrophobicContact CB-CD2 4.32Å; W148-F152 HydrophobicContact CB-CE2 4.18Å; W148-F152 HydrophobicContact CD2-CE2 4.18Å; W148-F152 HydrophobicContact CE3-CD2 4.26Å; W148-F152 HydrophobicContact CE3-CE1 4.35Å; W148-F152 AromaticContact CE3-CE2 3.43Å; W148-F152 HydrophobicContact CE3-CE2 3.43Å; W148-F152 VanDerWaalsContact CE3-CE2 3.43Å; W148-F152 AromaticContact CE3-CZ 3.47Å; W148-F152 HydrophobicContact CE3-CZ 3.47Å; W148-F152 VanDerWaalsContact CE3-CZ 3.47Å; W148-F152 HydrophobicContact CZ3-CE1 4.41Å; W148-F152 HydrophobicContact CZ3-CE2 4.15Å; W148-F152 AromaticContact CZ3-CZ 3.7Å; W148-F152 HydrophobicContact CZ3-CZ 3.7Å; W148-F152 WeakPolarHBondContact O-CB 3.34Å; W148-F152 WeakPolarHBondContact O-CD2 3.38Å; W148-F152 WeakPolarHBondContact O-CG 3.45Å; W148-F152 PolarHBondContact O-N 3.41Å; W148-T215 HydrophobicContact CZ2-CG2 4.14Å; W148-F218 HydrophobicContact CH2-CB 4.06Å
149C93.9Very high92.9Very high38 Ų3847.2 Ų47.226%0.25724%0.244SC..Hα-helixtrans-62.2-44.9175.9-78.30000111.9V145 V146 S153V145-C149 WeakPolarHBondContact O-CB 3.33Å; V145-C149 PolarHBondContact O-N 3.18Å; V145-C149 PolarHBondContact O-SG 3.13Å; V146-C149 PolarHBondContact O-N 3.37Å; C149-S153 VanDerWaalsContact O-CB 3.26Å; C149-S153 WeakPolarHBondContact O-CB 3.35Å; C149-S153 PolarHBondContact O-N 3.06Å; C149-S153 PolarHBondContact O-OG 3.33Å
150L93.6Very high93.3Very high57 Ų5747.8 Ų47.830%0.29825%0.247SC..Hα-helixtrans-63.4-45.9176.1-70.5174.7000111.4V88 F91 V146 M147 S153 A154V88-L150 HydrophobicContact CB-CD2 4.35Å; V88-L150 HydrophobicContact CG1-CD2 4.27Å; V88-L150 HydrophobicContact CG2-CD2 4.01Å; V88-L150 HydrophobicContact CG2-CG 4.22Å; F91-L150 HydrophobicContact CB-CD2 3.96Å; F91-L150 HydrophobicContact CD1-CD2 3.44Å; F91-L150 VanDerWaalsContact CD1-CD2 3.44Å; F91-L150 HydrophobicContact CE1-CD2 4.11Å; F91-L150 HydrophobicContact CG-CD2 3.82Å; V146-L150 HydrophobicContact CG1-CD1 4.16Å; V146-L150 WeakPolarHBondContact O-CG 3.23Å; V146-L150 PolarHBondContact O-N 2.84Å; M147-L150 PolarHBondContact O-N 2.83Å; L150-S153 WeakPolarHBondContact O-CB 3.47Å; L150-S153 PolarHBondContact O-N 2.79Å; L150-A154 PolarHBondContact O-N 3.15Å; L150-A154 VanDerWaalsContact O-N 3.11Å
151W94.8Very high93.7Very high31 Ų3140.8 Ų40.812%0.11722%0.215CC..Hα-helixtrans-57.3-52.3176.9178.9-102.4000112.2M147 W148 S153 A154 L155 L200 C204 M219M147-W151 WeakPolarHBondContact O-CB 3.39Å; M147-W151 PolarHBondContact O-N 2.96Å; W148-W151 PolarHBondContact O-N 2.64Å; W151-S153 VanDerWaalsContact C-N 3.28Å; W151-S153 PolarHBondContact O-N 2.81Å; W151-A154 PolarHBondContact O-N 3.39Å; W151-L155 HydrophobicContact CG-CD1 4.46Å; W151-L155 HydrophobicContact CZ2-CD1 4.2Å; W151-L155 PolarHBondContact O-N 2.89Å; W151-L155 VanDerWaalsContact O-N 3.1Å; W151-L200 HydrophobicContact CH2-CD2 4.2Å; W151-L200 HydrophobicContact CZ3-CD2 3.91Å; W151-C204 HydrophobicContact CH2-CB 3.89Å; W151-C204 HydrophobicContact CZ2-CB 4.43Å; W151-M219 HydrophobicContact CD2-CG 3.91Å; W151-M219 HydrophobicContact CD2-SD 4.23Å; W151-M219 HydrophobicContact CE3-CG 4.27Å; W151-M219 HydrophobicContact CE3-SD 4.12Å; W151-M219 HydrophobicContact CH2-CG 3.68Å; W151-M219 HydrophobicContact CH2-SD 4.09Å; W151-M219 HydrophobicContact CZ2-CB 4.42Å; W151-M219 HydrophobicContact CZ2-CG 3.22Å; W151-M219 WeakPolarHBondContact CZ2-O 3.5Å; W151-M219 HydrophobicContact CZ2-SD 4.18Å; W151-M219 HydrophobicContact CZ3-CG 4.17Å; W151-M219 HydrophobicContact CZ3-SD 4.04Å
152F95.4Very high94Very high10 Ų1037.7 Ų37.74%0.04420%0.196CC..Hα-helixtrans-69-25.5179-69.5-48.9000113.4F125 K129 F132 I133 W148 L155 V156F125-F152 HydrophobicContact CE1-CB 4.11Å; F125-F152 HydrophobicContact CZ-CB 4.29Å; F125-F152 HydrophobicContact CZ-CD1 4.21Å; K129-F152 HydrophobicContact CB-CD2 4.23Å; K129-F152 HydrophobicContact CB-CG 4.4Å; K129-F152 HydrophobicContact CD-CD1 3.8Å; K129-F152 HydrophobicContact CD-CD2 4.3Å; K129-F152 HydrophobicContact CD-CE1 3.7Å; K129-F152 HydrophobicContact CD-CE2 4.19Å; K129-F152 HydrophobicContact CD-CG 4.13Å; K129-F152 HydrophobicContact CD-CZ 3.9Å; K129-F152 HydrophobicContact CG-CB 4.4Å; K129-F152 HydrophobicContact CG-CD1 4.06Å; K129-F152 HydrophobicContact CG-CD2 4.23Å; K129-F152 HydrophobicContact CG-CE1 4.43Å; K129-F152 HydrophobicContact CG-CG 3.97Å; F132-F152 AromaticContact CD1-CE2 3.78Å; F132-F152 HydrophobicContact CD1-CE2 3.78Å; F132-F152 AromaticContact CD1-CZ 3.62Å; F132-F152 HydrophobicContact CD1-CZ 3.62Å; F132-F152 AromaticContact CE1-CE2 3.91Å; F132-F152 HydrophobicContact CE1-CE2 3.91Å; F132-F152 AromaticContact CE1-CZ 3.49Å; F132-F152 HydrophobicContact CE1-CZ 3.49Å; F132-F152 VanDerWaalsContact CE1-CZ 3.49Å; I133-F152 HydrophobicContact CD1-CD2 4.01Å; I133-F152 HydrophobicContact CD1-CE2 4.13Å; I133-F152 HydrophobicContact CG1-CD2 4.39Å; I133-F152 HydrophobicContact CG1-CE2 3.99Å; W148-F152 HydrophobicContact CB-CD2 4.32Å; W148-F152 HydrophobicContact CB-CE2 4.18Å; W148-F152 HydrophobicContact CD2-CE2 4.18Å; W148-F152 HydrophobicContact CE3-CD2 4.26Å; W148-F152 HydrophobicContact CE3-CE1 4.35Å; W148-F152 AromaticContact CE3-CE2 3.43Å; W148-F152 HydrophobicContact CE3-CE2 3.43Å; W148-F152 VanDerWaalsContact CE3-CE2 3.43Å; W148-F152 AromaticContact CE3-CZ 3.47Å; W148-F152 HydrophobicContact CE3-CZ 3.47Å; W148-F152 VanDerWaalsContact CE3-CZ 3.47Å; W148-F152 HydrophobicContact CZ3-CE1 4.41Å; W148-F152 HydrophobicContact CZ3-CE2 4.15Å; W148-F152 AromaticContact CZ3-CZ 3.7Å; W148-F152 HydrophobicContact CZ3-CZ 3.7Å; W148-F152 WeakPolarHBondContact O-CB 3.34Å; W148-F152 WeakPolarHBondContact O-CD2 3.38Å; W148-F152 WeakPolarHBondContact O-CG 3.45Å; W148-F152 PolarHBondContact O-N 3.41Å; F152-L155 HydrophobicContact CD1-CD1 3.98Å; F152-L155 HydrophobicContact CE1-CD1 4.35Å; F152-L155 PolarHBondContact O-N 2.92Å; F152-V156 WeakPolarHBondContact O-CB 3.31Å; F152-V156 WeakPolarHBondContact O-CG1 3.41Å; F152-V156 PolarHBondContact O-N 2.63Å
153S95.3Very high94.3Very high26 Ų2634.2 Ų34.218%0.18217%0.174CC..Hα-helixtrans-67.1-41.6173.4-63.60000111.8C149 L150 W151 V156 F157C149-S153 VanDerWaalsContact O-CB 3.26Å; C149-S153 WeakPolarHBondContact O-CB 3.35Å; C149-S153 PolarHBondContact O-N 3.06Å; C149-S153 PolarHBondContact O-OG 3.33Å; L150-S153 WeakPolarHBondContact O-CB 3.47Å; L150-S153 PolarHBondContact O-N 2.79Å; W151-S153 VanDerWaalsContact C-N 3.28Å; W151-S153 PolarHBondContact O-N 2.81Å; S153-V156 WeakPolarHBondContact O-CG1 3.35Å; S153-F157 WeakPolarHBondContact O-CB 3.27Å; S153-F157 PolarHBondContact O-N 2.91Å
154A95.9Very high94.6Very high18 Ų1827 Ų2715%0.14914%0.14CC..Hα-helixtrans-64.8-44.5172.900000111.6F91 L150 W151 F157 L158F91-A154 HydrophobicContact CZ-CB 4.35Å; L150-A154 PolarHBondContact O-N 3.15Å; L150-A154 VanDerWaalsContact O-N 3.11Å; W151-A154 PolarHBondContact O-N 3.39Å; A154-F157 PolarHBondContact O-N 2.81Å; A154-L158 PolarHBondContact O-N 2.87Å; A154-L158 VanDerWaalsContact O-N 3.15Å
155L95.7Very high94.8Very high2 Ų222.9 Ų22.91%0.0112%0.121CC..Hα-helixtrans-65.2-42.4179.4-72.6175.8000113.3F125 W151 F152 F157 L158 H159 E222 C223F125-L155 HydrophobicContact CZ-CB 4.49Å; W151-L155 HydrophobicContact CG-CD1 4.46Å; W151-L155 HydrophobicContact CZ2-CD1 4.2Å; W151-L155 PolarHBondContact O-N 2.89Å; W151-L155 VanDerWaalsContact O-N 3.1Å; F152-L155 HydrophobicContact CD1-CD1 3.98Å; F152-L155 HydrophobicContact CE1-CD1 4.35Å; F152-L155 PolarHBondContact O-N 2.92Å; L155-F157 VanDerWaalsContact C-N 3.31Å; L155-F157 PolarHBondContact O-N 3.35Å; L155-L158 PolarHBondContact O-N 3.48Å; L155-H159 VanDerWaalsContact O-CB 3.28Å; L155-H159 WeakPolarHBondContact O-CB 3.3Å; L155-H159 PolarHBondContact O-N 3.46Å; L155-E222 HydrophobicContact CD1-CB 3.65Å; L155-E222 HydrophobicContact CD1-CG 4.49Å; L155-C223 HydrophobicContact CD2-CB 4.45Å
156V95.9Very high94.9Very high16 Ų1624.7 Ų24.710%0.09713%0.127CC..Hα-helixtrans-66.2-37.1178.774.20000111.2F122 F125 F152 S153 H159 L160F122-V156 HydrophobicContact CD2-CG2 4.05Å; F125-V156 HydrophobicContact CB-CG2 4.14Å; F125-V156 HydrophobicContact CD1-CB 3.66Å; F125-V156 HydrophobicContact CD1-CG2 3.47Å; F125-V156 VanDerWaalsContact CD1-CG2 3.47Å; F125-V156 HydrophobicContact CD2-CG2 4.34Å; F125-V156 HydrophobicContact CE1-CB 3.51Å; F125-V156 HydrophobicContact CE1-CG1 4.44Å; F125-V156 HydrophobicContact CE1-CG2 3.9Å; F125-V156 HydrophobicContact CE2-CB 4.48Å; F125-V156 HydrophobicContact CG-CB 4.24Å; F125-V156 HydrophobicContact CG-CG2 3.72Å; F125-V156 HydrophobicContact CZ-CB 3.95Å; F125-V156 HydrophobicContact CZ-CG2 4.48Å; F152-V156 WeakPolarHBondContact O-CB 3.31Å; F152-V156 WeakPolarHBondContact O-CG1 3.41Å; F152-V156 PolarHBondContact O-N 2.63Å; S153-V156 WeakPolarHBondContact O-CG1 3.35Å; V156-H159 PolarHBondContact O-N 3.25Å; V156-L160 HydrophobicContact CG2-CD1 4.1Å; V156-L160 HydrophobicContact CG2-CG 4.17Å; V156-L160 WeakPolarHBondContact O-CB 3.34Å; V156-L160 WeakPolarHBondContact O-CG 3.41Å; V156-L160 PolarHBondContact O-N 3.29Å
157F96.9Very high95Very high27 Ų2724.8 Ų24.812%0.11813%0.127CC..Hα-helixtrans-57.8-52.6174166.4-95.7000110.8L95 I98 A99 I102 S153 A154 L155 H159 L160 M161L95-F157 HydrophobicContact CB-CD2 4.22Å; L95-F157 HydrophobicContact CB-CG 4.48Å; L95-F157 HydrophobicContact CD1-CB 4.27Å; L95-F157 HydrophobicContact CD2-CB 4.5Å; L95-F157 HydrophobicContact CD2-CD1 4.25Å; L95-F157 HydrophobicContact CD2-CD2 4.48Å; L95-F157 HydrophobicContact CD2-CG 4.15Å; L95-F157 WeakPolarHBondContact O-CE2 3.3Å; I98-F157 HydrophobicContact CB-CE2 4.49Å; I98-F157 HydrophobicContact CB-CZ 4.47Å; I98-F157 HydrophobicContact CG2-CE2 4.22Å; I98-F157 HydrophobicContact CG2-CZ 3.77Å; A99-F157 HydrophobicContact CB-CD2 4.2Å; A99-F157 HydrophobicContact CB-CE2 3.78Å; I102-F157 HydrophobicContact CD1-CZ 4.04Å; S153-F157 WeakPolarHBondContact O-CB 3.27Å; S153-F157 PolarHBondContact O-N 2.91Å; A154-F157 PolarHBondContact O-N 2.81Å; L155-F157 VanDerWaalsContact C-N 3.31Å; L155-F157 PolarHBondContact O-N 3.35Å; F157-H159 PolarHBondContact O-N 3.36Å; F157-L160 PolarHBondContact O-N 2.7Å; F157-M161 HydrophobicContact CD2-CG 4.34Å; F157-M161 HydrophobicContact CE1-CG 4.33Å; F157-M161 HydrophobicContact CE2-CE 4.49Å; F157-M161 HydrophobicContact CE2-CG 3.96Å; F157-M161 HydrophobicContact CE2-SD 4.42Å; F157-M161 HydrophobicContact CZ-CG 3.94Å; F157-M161 WeakPolarHBondContact O-CG 3.39Å; F157-M161 PolarHBondContact O-N 3.16Å
158L96.1Very high95.1Very high7 Ų720.7 Ų20.74%0.03711%0.106CC..Hα-helixtrans-62.4-45.1178.4-68.3175.6000112.1A154 L155 L160 M161 V162 L193 D196 L200 V226A154-L158 PolarHBondContact O-N 2.87Å; A154-L158 VanDerWaalsContact O-N 3.15Å; L155-L158 PolarHBondContact O-N 3.48Å; L158-L160 VanDerWaalsContact C-N 3.34Å; L158-L160 PolarHBondContact O-N 3.48Å; L158-M161 PolarHBondContact O-N 3.43Å; L158-V162 WeakPolarHBondContact O-CB 3.31Å; L158-V162 VanDerWaalsContact O-CG2 3.25Å; L158-V162 WeakPolarHBondContact O-CG2 3.34Å; L158-V162 PolarHBondContact O-N 3.02Å; L158-L193 HydrophobicContact CD2-CD2 3.67Å; L158-D196 HydrophobicContact CD2-CB 4.09Å; L158-L200 HydrophobicContact CD1-CD1 3.17Å; L158-V226 HydrophobicContact CB-CG1 4.25Å
159H95.7Very high95Very high19 Ų1919.7 Ų19.79%0.08810%0.102CC..Hα-helixtrans-58-45178.3-179.3-84.7000112.1L155 V156 F157 Q163 V226 R229L155-H159 VanDerWaalsContact O-CB 3.28Å; L155-H159 WeakPolarHBondContact O-CB 3.3Å; L155-H159 PolarHBondContact O-N 3.46Å; V156-H159 PolarHBondContact O-N 3.25Å; F157-H159 PolarHBondContact O-N 3.36Å; H159-Q163 WeakPolarHBondContact O-CB 3.24Å; H159-Q163 PolarHBondContact O-N 2.92Å; H159-V226 HydrophobicContact CB-CG2 4.15Å; H159-R229 PolarHBondContact NE2-NH1 3.47Å
160L96.1Very high94.8Very high24 Ų2421 Ų2113%0.12610%0.104CC..Hα-helixtrans-68.1-40.3178-70178.7000112.4L118 K121 F122 V156 F157 L158 Q163 L164L118-L160 HydrophobicContact CD2-CB 4.02Å; L118-L160 HydrophobicContact CD2-CD2 3.92Å; L118-L160 WeakPolarHBondContact CD2-O 3.25Å; K121-L160 HydrophobicContact CB-CD2 4.03Å; F122-L160 HydrophobicContact CB-CD1 4.15Å; F122-L160 HydrophobicContact CB-CD2 4.28Å; F122-L160 HydrophobicContact CD2-CD1 3.87Å; F122-L160 HydrophobicContact CG-CD1 4.42Å; V156-L160 HydrophobicContact CG2-CD1 4.1Å; V156-L160 HydrophobicContact CG2-CG 4.17Å; V156-L160 WeakPolarHBondContact O-CB 3.34Å; V156-L160 WeakPolarHBondContact O-CG 3.41Å; V156-L160 PolarHBondContact O-N 3.29Å; F157-L160 PolarHBondContact O-N 2.7Å; L158-L160 VanDerWaalsContact C-N 3.34Å; L158-L160 PolarHBondContact O-N 3.48Å; L160-Q163 PolarHBondContact O-N 3.13Å; L160-L164 WeakPolarHBondContact O-CB 3.42Å; L160-L164 PolarHBondContact O-N 3.48Å
161M95.8Very high94.7Very high16 Ų1623.4 Ų23.48%0.07911%0.11CC..Hα-helixtrans-63.4-43.7176.1-69.7-56.8110.100111.5A99 I102 F157 L158 Q163 L164 C165 L193A99-M161 HydrophobicContact CB-CE 3.73Å; A99-M161 HydrophobicContact CB-SD 4.45Å; I102-M161 HydrophobicContact CG2-SD 4.26Å; F157-M161 HydrophobicContact CD2-CG 4.34Å; F157-M161 HydrophobicContact CE1-CG 4.33Å; F157-M161 HydrophobicContact CE2-CE 4.49Å; F157-M161 HydrophobicContact CE2-CG 3.96Å; F157-M161 HydrophobicContact CE2-SD 4.42Å; F157-M161 HydrophobicContact CZ-CG 3.94Å; F157-M161 WeakPolarHBondContact O-CG 3.39Å; F157-M161 PolarHBondContact O-N 3.16Å; L158-M161 PolarHBondContact O-N 3.43Å; M161-Q163 PolarHBondContact O-N 3.32Å; M161-L164 WeakPolarHBondContact O-CB 3.39Å; M161-L164 PolarHBondContact O-N 3.39Å; M161-C165 PolarHBondContact O-N 2.75Å; M161-C165 PolarHBondContact O-SG 3.34Å; M161-C165 VanDerWaalsContact O-SG 3.33Å; M161-L193 HydrophobicContact CB-CD1 3.84Å; M161-L193 HydrophobicContact CB-CD2 3.95Å; M161-L193 HydrophobicContact CG-CD2 4.49Å
162V96.1Very high94.4Very high0 Ų022.8 Ų22.80%011%0.109CC..Hα-helixtrans-63.7-40.9176.1173.20000111.3L158 L164 C165 K166 L193 V226 R229 T230L158-V162 WeakPolarHBondContact O-CB 3.31Å; L158-V162 VanDerWaalsContact O-CG2 3.25Å; L158-V162 WeakPolarHBondContact O-CG2 3.34Å; L158-V162 PolarHBondContact O-N 3.02Å; V162-L164 VanDerWaalsContact C-N 3.33Å; V162-L164 PolarHBondContact O-N 3.44Å; V162-C165 WeakPolarHBondContact O-CB 3.37Å; V162-C165 PolarHBondContact O-N 3.46Å; V162-K166 PolarHBondContact O-N 2.95Å; V162-L193 HydrophobicContact CG2-CB 4.4Å; V162-L193 HydrophobicContact CG2-CD1 4.12Å; V162-V226 HydrophobicContact CG2-CG1 4.45Å; V162-R229 HydrophobicContact CG1-CG 3.96Å; V162-T230 HydrophobicContact CG2-CG2 4.27Å; V162-T230 WeakPolarHBondContact CG2-OG1 3.45Å
163Q94.8Very high93.9Very high14 Ų1424 Ų247%0.06512%0.119CC..Hα-helixtrans-61.5-41.8175-177.662.745.800111.7H159 L160 M161 K166 D167H159-Q163 WeakPolarHBondContact O-CB 3.24Å; H159-Q163 PolarHBondContact O-N 2.92Å; L160-Q163 PolarHBondContact O-N 3.13Å; M161-Q163 PolarHBondContact O-N 3.32Å; Q163-K166 WeakPolarHBondContact O-CB 3.39Å; Q163-K166 PolarHBondContact O-N 3.38Å; Q163-D167 PolarHBondContact NE2-OD1 2.99Å; Q163-D167 PolarHBondContact O-N 3.49Å
164L94.9Very high93.5Very high4 Ų431 Ų312%0.02115%0.146CC..Hα-helixtrans-64.2-43.7176.8-157.3170.8000110.9F107 L110 L118 L160 M161 V162 K166 D167 R168F107-L164 HydrophobicContact CB-CD2 4.25Å; F107-L164 HydrophobicContact CD1-CD2 3.41Å; F107-L164 VanDerWaalsContact CD1-CD2 3.41Å; F107-L164 HydrophobicContact CD2-CD1 4.2Å; F107-L164 HydrophobicContact CD2-CD2 3.54Å; F107-L164 HydrophobicContact CE1-CD2 3.43Å; F107-L164 VanDerWaalsContact CE1-CD2 3.43Å; F107-L164 HydrophobicContact CE2-CD1 4.27Å; F107-L164 HydrophobicContact CE2-CD2 3.57Å; F107-L164 HydrophobicContact CE2-CG 4.42Å; F107-L164 HydrophobicContact CG-CD2 3.44Å; F107-L164 VanDerWaalsContact CG-CD2 3.44Å; F107-L164 HydrophobicContact CZ-CD2 3.5Å; L110-L164 HydrophobicContact CD2-CD1 3.67Å; L110-L164 HydrophobicContact CD2-CD2 4.08Å; L110-L164 HydrophobicContact CD2-CG 3.94Å; L118-L164 HydrophobicContact CD1-CD1 3.83Å; L118-L164 HydrophobicContact CD1-CG 4.18Å; L118-L164 HydrophobicContact CD2-CB 4.32Å; L160-L164 WeakPolarHBondContact O-CB 3.42Å; L160-L164 PolarHBondContact O-N 3.48Å; M161-L164 WeakPolarHBondContact O-CB 3.39Å; M161-L164 PolarHBondContact O-N 3.39Å; V162-L164 VanDerWaalsContact C-N 3.33Å; V162-L164 PolarHBondContact O-N 3.44Å; L164-K166 VanDerWaalsContact C-N 3.29Å; L164-K166 PolarHBondContact O-N 2.88Å; L164-D167 PolarHBondContact O-N 3.35Å; L164-R168 HydrophobicContact CD2-CG 3.75Å; L164-R168 WeakPolarHBondContact O-CB 3.46Å; L164-R168 VanDerWaalsContact O-CG 3.24Å; L164-R168 WeakPolarHBondContact O-CG 3.45Å; L164-R168 PolarHBondContact O-N 2.72Å
165C95.1Very high92.9Very high1 Ų131.2 Ų31.21%0.00715%0.147CC..Hα-helixtrans-56.2-42.7172.3-69.60000112M161 V162 R168 F169 L190M161-C165 PolarHBondContact O-N 2.75Å; M161-C165 PolarHBondContact O-SG 3.34Å; M161-C165 VanDerWaalsContact O-SG 3.33Å; V162-C165 WeakPolarHBondContact O-CB 3.37Å; V162-C165 PolarHBondContact O-N 3.46Å; C165-R168 PolarHBondContact O-N 3.11Å; C165-F169 WeakPolarHBondContact O-CB 3.36Å; C165-F169 PolarHBondContact O-N 3.44Å; C165-L190 HydrophobicContact CB-CD1 3.95Å
166K94.8Very high91.7Very high58 Ų5837.4 Ų37.425%0.25219%0.187SC..Hα-helixtrans-62.4-52177-178.7-175.3168.2179.70111.9V162 Q163 L164 R168 F169 E170 V233V162-K166 PolarHBondContact O-N 2.95Å; Q163-K166 WeakPolarHBondContact O-CB 3.39Å; Q163-K166 PolarHBondContact O-N 3.38Å; L164-K166 VanDerWaalsContact C-N 3.29Å; L164-K166 PolarHBondContact O-N 2.88Å; K166-R168 PolarHBondContact O-N 2.94Å; K166-F169 WeakPolarHBondContact O-CB 3.33Å; K166-F169 PolarHBondContact O-N 2.82Å; K166-F169 VanDerWaalsContact O-N 3.11Å; K166-E170 WeakPolarHBondContact CE-OE1 3.37Å; K166-E170 IonicContact NZ-OE1 3.41Å; K166-E170 PolarHBondContact O-N 3.43Å; K166-V233 HydrophobicContact CB-CG1 4.47Å; K166-V233 HydrophobicContact CB-CG2 3.87Å; K166-V233 HydrophobicContact CD-CG2 4.47Å; K166-V233 HydrophobicContact CG-CG2 4.13Å
167D93Very high90.6Very high12 Ų1241.8 Ų41.86%0.06422%0.218CC..Hα-helixtrans-62.1-32.2-178.5-68.4-2.3000111.6R111 E114 H117 Q163 L164 Y171R111-D167 PolarHBondContact NH2-O 3.36Å; E114-D167 HydrophobicContact CG-CB 4.12Å; H117-D167 IonicContact CG-OD2 2.63Å; H117-D167 IonicContact ND1-OD1 3.75Å; H117-D167 IonicContact ND1-OD2 2.89Å; H117-D167 PolarHBondContact ND1-OD2 3.34Å; Q163-D167 PolarHBondContact NE2-OD1 2.99Å; Q163-D167 PolarHBondContact O-N 3.49Å; L164-D167 PolarHBondContact O-N 3.35Å; D167-Y171 PolarHBondContact O-N 3.25Å
168R93Very high89.9Confident25 Ų2542 Ų429%0.09422%0.222CC..Hα-helixtrans-72.9-42.7173.7-73.2-77.6-172.1-160.43.7112.4F107 P109 E114 L164 C165 K166 Y171 L172F107-R168 HydrophobicContact CD1-CB 4.35Å; F107-R168 HydrophobicContact CD1-CG 3.58Å; F107-R168 HydrophobicContact CE1-CB 4.16Å; F107-R168 HydrophobicContact CE1-CG 3.75Å; F107-R168 PolarHBondContact O-NH2 3.29Å; P109-R168 PolarHBondContact O-NH2 3.34Å; E114-R168 WeakPolarHBondContact OE1-CD 3.24Å; E114-R168 WeakPolarHBondContact OE1-CG 3.48Å; E114-R168 IonicContact OE1-CZ 3.84Å; E114-R168 IonicContact OE1-NE 2.61Å; E114-R168 PolarHBondContact OE1-NE 3.4Å; E114-R168 IonicContact OE1-NH1 3.96Å; E114-R168 PolarHBondContact OE1-NH1 2.87Å; E114-R168 IonicContact OE1-NH2 2.87Å; E114-R168 IonicContact OE2-CZ 2.61Å; E114-R168 IonicContact OE2-NE 3.03Å; E114-R168 PolarHBondContact OE2-NE 3.1Å; E114-R168 IonicContact OE2-NH1 2.9Å; E114-R168 PolarHBondContact OE2-NH1 2.91Å; E114-R168 IonicContact OE2-NH2 2.66Å; E114-R168 PolarHBondContact OE2-NH2 3.15Å; L164-R168 HydrophobicContact CD2-CG 3.75Å; L164-R168 WeakPolarHBondContact O-CB 3.46Å; L164-R168 VanDerWaalsContact O-CG 3.24Å; L164-R168 WeakPolarHBondContact O-CG 3.45Å; L164-R168 PolarHBondContact O-N 2.72Å; C165-R168 PolarHBondContact O-N 3.11Å; K166-R168 PolarHBondContact O-N 2.94Å; R168-Y171 PolarHBondContact O-N 3.04Å; R168-L172 WeakPolarHBondContact O-CG 3.44Å; R168-L172 PolarHBondContact O-N 3.43Å
169F92.2Very high89.4Confident8 Ų845.5 Ų45.54%0.03525%0.245CC..Hα-helixtrans-58-48.7174.1163.9-109000111.4C165 K166 Y171 L172 S173 R236 Y237 H240C165-F169 WeakPolarHBondContact O-CB 3.36Å; C165-F169 PolarHBondContact O-N 3.44Å; K166-F169 WeakPolarHBondContact O-CB 3.33Å; K166-F169 PolarHBondContact O-N 2.82Å; K166-F169 VanDerWaalsContact O-N 3.11Å; F169-Y171 PolarHBondContact O-N 3.25Å; F169-L172 PolarHBondContact O-N 3.02Å; F169-L172 VanDerWaalsContact O-N 3.13Å; F169-S173 WeakPolarHBondContact O-CB 3.38Å; F169-S173 PolarHBondContact O-N 3.45Å; F169-S173 PolarHBondContact O-OG 2.93Å; F169-R236 HydrophobicContact CE1-CB 3.7Å; F169-R236 HydrophobicContact CZ-CB 3.83Å; F169-Y237 HydrophobicContact CB-CD2 3.92Å; F169-Y237 HydrophobicContact CB-CE2 3.93Å; F169-Y237 AromaticContact CD2-CD2 3.19Å; F169-Y237 HydrophobicContact CD2-CD2 3.19Å; F169-Y237 AromaticContact CD2-CE2 3.48Å; F169-Y237 HydrophobicContact CD2-CE2 3.48Å; F169-Y237 VanDerWaalsContact CD2-CE2 3.48Å; F169-Y237 AromaticContact CD2-CG 3.89Å; F169-Y237 HydrophobicContact CD2-CG 3.89Å; F169-Y237 AromaticContact CE2-CD2 3.93Å; F169-Y237 HydrophobicContact CE2-CD2 3.93Å; F169-Y237 HydrophobicContact CE2-CE2 4.42Å; F169-Y237 HydrophobicContact CE2-CG 4.17Å; F169-Y237 AromaticContact CG-CD2 3.76Å; F169-Y237 HydrophobicContact CG-CD2 3.76Å; F169-Y237 HydrophobicContact CG-CE2 4.1Å; F169-H240 HydrophobicContact CE2-CB 3.92Å; F169-H240 HydrophobicContact CZ-CB 4.3Å
170E90.9Very high88.9Confident66 Ų6650.6 Ų50.631%0.30827%0.272SS..Hα-helixtrans-55.7-43.6179.7-73.5178.4-176.700110.9K166 S173 F174K166-E170 WeakPolarHBondContact CE-OE1 3.37Å; K166-E170 IonicContact NZ-OE1 3.41Å; K166-E170 PolarHBondContact O-N 3.43Å; E170-S173 PolarHBondContact O-N 2.84Å; E170-S173 PolarHBondContact O-OG 3.05Å; E170-F174 WeakPolarHBondContact O-CD2 3.42Å; E170-F174 PolarHBondContact O-N 2.96Å
171Y89.6Confident88.5Confident108 Ų10854.9 Ų54.942%0.42430%0.295SS..Hα-helixtrans-64.9-47.5175.1174.2-110000114.5R111 D167 R168 F169 S173 F174 S175R111-Y171 VanDerWaalsContact CZ-CB 3.5Å; D167-Y171 PolarHBondContact O-N 3.25Å; R168-Y171 PolarHBondContact O-N 3.04Å; F169-Y171 PolarHBondContact O-N 3.25Å; Y171-S173 PolarHBondContact O-N 2.93Å; Y171-F174 PolarHBondContact O-N 3.18Å; Y171-F174 VanDerWaalsContact O-N 3.15Å; Y171-S175 PolarHBondContact O-N 3.06Å
172L88.6Confident88.1Confident18 Ų1856.2 Ų56.29%0.09431%0.306CS..Hα-helixtrans-62.9-34179.2-70.5175.1000111R168 F169 F174 S175 T178 V186R168-L172 WeakPolarHBondContact O-CG 3.44Å; R168-L172 PolarHBondContact O-N 3.43Å; F169-L172 PolarHBondContact O-N 3.02Å; F169-L172 VanDerWaalsContact O-N 3.13Å; L172-F174 PolarHBondContact O-N 3.26Å; L172-S175 PolarHBondContact O-N 3.05Å; L172-S175 VanDerWaalsContact O-N 3.15Å; L172-T178 HydrophobicContact CD2-CG2 3.8Å; L172-V186 HydrophobicContact CD1-CG2 4.33Å
173S86.1Confident87.8Confident36 Ų3656.7 Ų56.725%0.25231%0.308SS..Hα-helixtrans-68.2-22.7177.5740000113.8F169 E170 Y171 H240F169-S173 WeakPolarHBondContact O-CB 3.38Å; F169-S173 PolarHBondContact O-N 3.45Å; F169-S173 PolarHBondContact O-OG 2.93Å; E170-S173 PolarHBondContact O-N 2.84Å; E170-S173 PolarHBondContact O-OG 3.05Å; Y171-S173 PolarHBondContact O-N 2.93Å; S173-H240 WeakPolarHBondContact CA-NE2 3.32Å
174F86.1Confident87.6Confident171 Ų17160 Ų6075%0.7533%0.329SS*.Hα-helixtrans-92.9-9.2173.4-65.6-54.9000113.4E170 Y171 L172 P176E170-F174 WeakPolarHBondContact O-CD2 3.42Å; E170-F174 PolarHBondContact O-N 2.96Å; Y171-F174 PolarHBondContact O-N 3.18Å; Y171-F174 VanDerWaalsContact O-N 3.15Å; L172-F174 PolarHBondContact O-N 3.26Å; F174-P176 WeakPolarHBondContact O-CD 3.17Å
175S83.4Confident87.5Confident24 Ų2466.6 Ų66.617%0.16835%0.354CS..  trans-108.994-175.1-167.20000111Y171 L172 S177 T178Y171-S175 PolarHBondContact O-N 3.06Å; L172-S175 PolarHBondContact O-N 3.05Å; L172-S175 VanDerWaalsContact O-N 3.15Å; S175-S177 PolarHBondContact O-N 3.24Å; S175-S177 VanDerWaalsContact O-N 3.14Å; S175-T178 PolarHBondContact O-OG1 3.25Å
176P69.8Low87.4Confident131 Ų13166.9 Ų66.985%0.85136%0.355SS*.THydrogen-bonded Turntrans-69.7-9.4-174.226.3-34.4000114.4F174F174-P176 WeakPolarHBondContact O-CD 3.17Å
177S73.9Confident87.3Confident108 Ų10866.1 Ų66.176%0.75535%0.354SS*.THydrogen-bonded Turntrans-100.610.3-175.257.20000114.5S175S175-S177 PolarHBondContact O-N 3.24Å; S175-S177 VanDerWaalsContact O-N 3.14Å
178T82.4Confident87.3Confident33 Ų3369.7 Ų69.720%0.20238%0.379CS..  trans-84.2138-17657.70000112.7L172 S175 H183L172-T178 HydrophobicContact CD2-CG2 3.8Å; S175-T178 PolarHBondContact O-OG1 3.25Å; T178-H183 PolarHBondContact OG1-NE2 2.86Å
179P85.8Confident87.5Confident80 Ų8069.2 Ų69.252%0.51938%0.378SS..  trans-70.9145.5-177.228.3-34.6000111.8N181 S182P179-N181 PolarHBondContact O-N 2.92Å; P179-N181 VanDerWaalsContact O-N 3.07Å; P179-S182 WeakPolarHBondContact O-CB 3.26Å; P179-S182 PolarHBondContact O-N 3.39Å
180I85.1Confident87.6Confident125 Ų12568.9 Ų68.964%0.64138%0.377SS*.Hα-helixtrans-53.3-33.6-179.4-64.8164.9000112.5S182 H183 V184I180-S182 PolarHBondContact O-N 3.05Å; I180-H183 WeakPolarHBondContact O-CA 3.43Å; I180-H183 WeakPolarHBondContact O-CB 3.18Å; I180-H183 PolarHBondContact O-N 2.63Å; I180-V184 HydrophobicContact CG2-CG2 4.13Å; I180-V184 WeakPolarHBondContact O-CG2 3.44Å; I180-V184 PolarHBondContact O-N 3.19Å
181N87.1Confident87.9Confident114 Ų11468.9 Ų68.961%0.6138%0.381SS*.Hα-helixtrans-57.3-35.7177.6-70.5-20.1000113.1P179 H183 R185P179-N181 PolarHBondContact O-N 2.92Å; P179-N181 VanDerWaalsContact O-N 3.07Å; N181-H183 VanDerWaalsContact C-N 3.33Å; N181-R185 VanDerWaalsContact O-CG 3.32Å; N181-R185 WeakPolarHBondContact O-CG 3.27Å; N181-R185 PolarHBondContact O-N 2.81Å; N181-R185 VanDerWaalsContact O-N 3.15Å
182S88.2Confident88.2Confident44 Ų4465.9 Ų65.931%0.30838%0.376SS..Hα-helixtrans-67.1-38.1176.7-620000111.1P179 I180 V186P179-S182 WeakPolarHBondContact O-CB 3.26Å; P179-S182 PolarHBondContact O-N 3.39Å; I180-S182 PolarHBondContact O-N 3.05Å; S182-V186 PolarHBondContact O-N 2.88Å
183H89.5Confident88.6Confident11 Ų1165.1 Ų65.15%0.05137%0.372CS..Hα-helixtrans-66.5-44.8176.8-69.5-79.2000112.2T178 I180 N181 R185 V186 L187 Y237T178-H183 PolarHBondContact OG1-NE2 2.86Å; I180-H183 WeakPolarHBondContact O-CA 3.43Å; I180-H183 WeakPolarHBondContact O-CB 3.18Å; I180-H183 PolarHBondContact O-N 2.63Å; N181-H183 VanDerWaalsContact C-N 3.33Å; H183-R185 VanDerWaalsContact C-N 3.34Å; H183-R185 PolarHBondContact O-N 3.11Å; H183-V186 PolarHBondContact O-N 3.43Å; H183-L187 WeakPolarHBondContact O-CB 3.33Å; H183-L187 PolarHBondContact O-N 3.19Å; H183-Y237 WeakPolarHBondContact CA-OH 3.41Å; H183-Y237 HydrophobicContact CB-CE1 4.09Å; H183-Y237 WeakPolarHBondContact CB-OH 3.39Å; H183-Y237 AromaticContact ND1-CE1 3.84Å; H183-Y237 AromaticContact ND1-CZ 3.58Å; H183-Y237 PolarHBondContact ND1-OH 3.15Å; H183-Y237 PolarHBondContact O-OH 2.95Å
184V89.8Confident89.1Confident84 Ų8465.7 Ų65.751%0.50937%0.372SS..Hα-helixtrans-60.9-41.1178.7174.60000111.7I180 L187 C188I180-V184 HydrophobicContact CG2-CG2 4.13Å; I180-V184 WeakPolarHBondContact O-CG2 3.44Å; I180-V184 PolarHBondContact O-N 3.19Å; V184-L187 PolarHBondContact O-N 3.39Å; V184-C188 VanDerWaalsContact O-CB 3.25Å; V184-C188 WeakPolarHBondContact O-CB 3.36Å; V184-C188 PolarHBondContact O-N 3.48Å
185R92.9Very high89.6Confident141 Ų14163 Ų6353%0.53237%0.365SS..Hα-helixtrans-61.1-47.6177.9-72.5174.5-172.6-173.53.6112.4V106 N181 H183 L189V106-R185 HydrophobicContact CG1-CB 4.33Å; N181-R185 VanDerWaalsContact O-CG 3.32Å; N181-R185 WeakPolarHBondContact O-CG 3.27Å; N181-R185 PolarHBondContact O-N 2.81Å; N181-R185 VanDerWaalsContact O-N 3.15Å; H183-R185 VanDerWaalsContact C-N 3.34Å; H183-R185 PolarHBondContact O-N 3.11Å; R185-L189 PolarHBondContact O-N 3.46Å; R185-L189 VanDerWaalsContact O-N 3.1Å
186V92.9Very high90.2Very high7 Ų766 Ų664%0.04238%0.379CS..Hα-helixtrans-67.5-40.8179.8176.70000110.9V106 F107 L172 S182 H183 L189 L190 Y237V106-V186 HydrophobicContact CG1-CG2 4.03Å; F107-V186 HydrophobicContact CE1-CG2 4.25Å; L172-V186 HydrophobicContact CD1-CG2 4.33Å; S182-V186 PolarHBondContact O-N 2.88Å; H183-V186 PolarHBondContact O-N 3.43Å; V186-L189 PolarHBondContact O-N 3.46Å; V186-L190 WeakPolarHBondContact O-CB 3.43Å; V186-L190 PolarHBondContact O-N 2.87Å; V186-Y237 HydrophobicContact CG1-CE2 4.04Å
187L92.5Very high91.4Very high43 Ų4359.8 Ų59.823%0.22534%0.339CS..Hα-helixtrans-65-44.2177.7-174.566.5000111.8H183 V184 L189 L190 V191 Y237 L241H183-L187 WeakPolarHBondContact O-CB 3.33Å; H183-L187 PolarHBondContact O-N 3.19Å; V184-L187 PolarHBondContact O-N 3.39Å; L187-L189 VanDerWaalsContact C-N 3.32Å; L187-L189 PolarHBondContact O-N 3.04Å; L187-L190 PolarHBondContact O-N 3.26Å; L187-L190 VanDerWaalsContact O-N 3.15Å; L187-V191 WeakPolarHBondContact O-CG2 3.4Å; L187-V191 PolarHBondContact O-N 2.95Å; L187-Y237 HydrophobicContact CD1-CD1 4.21Å; L187-Y237 HydrophobicContact CD1-CG 4.39Å; L187-L241 HydrophobicContact CD2-CD2 4.44Å
188C94.4Very high92.3Very high87 Ų8757.4 Ų57.459%0.58832%0.321SS*.Hα-helixtrans-59.3-44.2176.4-173.90000111.4V184 V191 S192V184-C188 VanDerWaalsContact O-CB 3.25Å; V184-C188 WeakPolarHBondContact O-CB 3.36Å; V184-C188 PolarHBondContact O-N 3.48Å; C188-V191 PolarHBondContact O-N 2.61Å; C188-S192 PolarHBondContact O-N 3.16Å; C188-S192 PolarHBondContact O-OG 3Å
189L95.7Very high92.9Very high15 Ų1557.6 Ų57.68%0.07933%0.329CS..Hα-helixtrans-60.6-46.4174.2177.766.2000111I102 V106 F107 R185 V186 L187 V191 S192 L193I102-L189 HydrophobicContact CD1-CD1 4.22Å; I102-L189 HydrophobicContact CG1-CD1 4.38Å; I102-L189 HydrophobicContact CG2-CD1 3.72Å; I102-L189 HydrophobicContact CG2-CD2 3.53Å; I102-L189 HydrophobicContact CG2-CG 4.29Å; V106-L189 HydrophobicContact CB-CD2 4.21Å; V106-L189 HydrophobicContact CG1-CB 4.39Å; V106-L189 HydrophobicContact CG1-CD2 3.91Å; V106-L189 HydrophobicContact CG2-CB 4.37Å; V106-L189 HydrophobicContact CG2-CD2 4.15Å; F107-L189 HydrophobicContact CE1-CD2 4.43Å; F107-L189 HydrophobicContact CE2-CD2 3.43Å; F107-L189 VanDerWaalsContact CE2-CD2 3.43Å; F107-L189 HydrophobicContact CZ-CD2 3.34Å; R185-L189 PolarHBondContact O-N 3.46Å; R185-L189 VanDerWaalsContact O-N 3.1Å; V186-L189 PolarHBondContact O-N 3.46Å; L187-L189 VanDerWaalsContact C-N 3.32Å; L187-L189 PolarHBondContact O-N 3.04Å; L189-V191 VanDerWaalsContact C-N 3.32Å; L189-V191 PolarHBondContact O-N 3.37Å; L189-S192 WeakPolarHBondContact CA-OG 3.49Å; L189-S192 PolarHBondContact O-N 3.02Å; L189-S192 VanDerWaalsContact O-N 3.15Å; L189-S192 PolarHBondContact O-OG 3.35Å; L189-L193 HydrophobicContact CD1-CD1 4.38Å; L189-L193 HydrophobicContact CD1-CG 4.31Å; L189-L193 HydrophobicContact CG-CD1 4.02Å; L189-L193 HydrophobicContact CG-CG 4.38Å; L189-L193 VanDerWaalsContact O-CG 3.3Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 2.98Å
190L95.8Very high93.2Very high0 Ų055.4 Ų55.40%031%0.313CS..Hα-helixtrans-63.2-37.5-178.3-167.965.6000112.7C165 V186 L187 L193 L194 T230 V233 I234C165-L190 HydrophobicContact CB-CD1 3.95Å; V186-L190 WeakPolarHBondContact O-CB 3.43Å; V186-L190 PolarHBondContact O-N 2.87Å; L187-L190 PolarHBondContact O-N 3.26Å; L187-L190 VanDerWaalsContact O-N 3.15Å; L190-L193 PolarHBondContact O-N 3.45Å; L190-L194 PolarHBondContact O-N 3.02Å; L190-T230 HydrophobicContact CD1-CG2 3.82Å; L190-T230 HydrophobicContact CG-CG2 4.27Å; L190-V233 HydrophobicContact CD1-CB 4.38Å; L190-V233 HydrophobicContact CD1-CG1 4.29Å; L190-V233 HydrophobicContact CD2-CB 4.05Å; L190-V233 HydrophobicContact CD2-CG1 3.67Å; L190-I234 HydrophobicContact CB-CG1 4.4Å; L190-I234 HydrophobicContact CD1-CG1 4.46Å; L190-I234 HydrophobicContact CD2-CB 4.15Å; L190-I234 HydrophobicContact CD2-CD1 4.42Å; L190-I234 HydrophobicContact CD2-CG1 3.28Å; L190-I234 HydrophobicContact CG-CD1 4.07Å; L190-I234 HydrophobicContact CG-CG1 3.42Å; L190-I234 VanDerWaalsContact CG-CG1 3.42Å
191V96.2Very high93.5Very high67 Ų6751.3 Ų51.341%0.40630%0.298SS..Hα-helixtrans-66.5-43.1172.81730000111.1L187 C188 L189 L193 L194 L195L187-V191 WeakPolarHBondContact O-CG2 3.4Å; L187-V191 PolarHBondContact O-N 2.95Å; C188-V191 PolarHBondContact O-N 2.61Å; L189-V191 VanDerWaalsContact C-N 3.32Å; L189-V191 PolarHBondContact O-N 3.37Å; V191-L193 VanDerWaalsContact C-N 3.33Å; V191-L193 PolarHBondContact O-N 3.18Å; V191-L194 WeakPolarHBondContact O-CB 3.47Å; V191-L194 PolarHBondContact O-N 3.22Å; V191-L195 HydrophobicContact CG1-CD1 4.47Å; V191-L195 WeakPolarHBondContact O-CG 3.22Å; V191-L195 PolarHBondContact O-N 3.1Å
192S96.2Very high93.8Very high44 Ų4450.2 Ų50.231%0.30830%0.295SS..Hα-helixtrans-61-42.5175.4650000112.1C188 L189 L194 L195 D196C188-S192 PolarHBondContact O-N 3.16Å; C188-S192 PolarHBondContact O-OG 3Å; L189-S192 WeakPolarHBondContact CA-OG 3.49Å; L189-S192 PolarHBondContact O-N 3.02Å; L189-S192 VanDerWaalsContact O-N 3.15Å; L189-S192 PolarHBondContact O-OG 3.35Å; S192-L194 VanDerWaalsContact C-N 3.3Å; S192-L194 PolarHBondContact O-N 3.48Å; S192-L195 WeakPolarHBondContact O-CB 3.45Å; S192-L195 PolarHBondContact O-N 3.05Å; S192-L195 VanDerWaalsContact O-N 3.14Å; S192-D196 VanDerWaalsContact O-CG 3.31Å; S192-D196 PolarHBondContact O-N 3.46Å
193L96.5Very high94Very high2 Ų251.1 Ų51.11%0.0130%0.299CS..Hα-helixtrans-63.1-36.2175.9-67.4170.5000112L158 M161 V162 L189 L190 V191 D196 C197L158-L193 HydrophobicContact CD2-CD2 3.67Å; M161-L193 HydrophobicContact CB-CD1 3.84Å; M161-L193 HydrophobicContact CB-CD2 3.95Å; M161-L193 HydrophobicContact CG-CD2 4.49Å; V162-L193 HydrophobicContact CG2-CB 4.4Å; V162-L193 HydrophobicContact CG2-CD1 4.12Å; L189-L193 HydrophobicContact CD1-CD1 4.38Å; L189-L193 HydrophobicContact CD1-CG 4.31Å; L189-L193 HydrophobicContact CG-CD1 4.02Å; L189-L193 HydrophobicContact CG-CG 4.38Å; L189-L193 VanDerWaalsContact O-CG 3.3Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 2.98Å; L190-L193 PolarHBondContact O-N 3.45Å; V191-L193 VanDerWaalsContact C-N 3.33Å; V191-L193 PolarHBondContact O-N 3.18Å; L193-D196 PolarHBondContact O-N 3.37Å; L193-C197 WeakPolarHBondContact O-CB 3.49Å; L193-C197 PolarHBondContact O-N 3.2Å; L193-C197 PolarHBondContact O-SG 3.44Å
194L96.3Very high94.1Very high48 Ų4850.7 Ų50.725%0.25130%0.297SS..Hα-helixtrans-64.5-43.4174.3-178.765.5000111.3L190 V191 S192 D196 C197 C198 T227 T230 I234L190-L194 PolarHBondContact O-N 3.02Å; V191-L194 WeakPolarHBondContact O-CB 3.47Å; V191-L194 PolarHBondContact O-N 3.22Å; S192-L194 VanDerWaalsContact C-N 3.3Å; S192-L194 PolarHBondContact O-N 3.48Å; L194-D196 VanDerWaalsContact C-N 3.34Å; L194-C197 WeakPolarHBondContact O-CB 3.5Å; L194-C197 PolarHBondContact O-N 3.41Å; L194-C198 PolarHBondContact O-N 3.06Å; L194-C198 PolarHBondContact O-SG 2.91Å; L194-T227 HydrophobicContact CD1-CG2 4.02Å; L194-T230 HydrophobicContact CB-CG2 3.93Å; L194-T230 HydrophobicContact CD1-CG2 4.25Å; L194-I234 HydrophobicContact CB-CD1 4.01Å; L194-I234 HydrophobicContact CD2-CD1 3.68Å; L194-I234 HydrophobicContact CG-CD1 4.34Å
195L96.4Very high94Very high116 Ų11648.5 Ų48.561%0.60729%0.291SS*.Hα-helixtrans-61.9-42.5176.3-67.3172.1000111.4V191 S192 C197 C198 G199V191-L195 HydrophobicContact CG1-CD1 4.47Å; V191-L195 WeakPolarHBondContact O-CG 3.22Å; V191-L195 PolarHBondContact O-N 3.1Å; S192-L195 WeakPolarHBondContact O-CB 3.45Å; S192-L195 PolarHBondContact O-N 3.05Å; S192-L195 VanDerWaalsContact O-N 3.14Å; L195-C197 VanDerWaalsContact C-N 3.35Å; L195-C197 PolarHBondContact O-N 3.4Å; L195-C198 PolarHBondContact O-N 3.09Å; L195-G199 PolarHBondContact O-N 2.67Å
196D96Very high93.9Very high85 Ų8547.9 Ų47.946%0.45530%0.298SS..Hα-helixtrans-62.1-41.6175.3-64.9-30.1000111.6L158 S192 L193 L194 G199 L200L158-D196 HydrophobicContact CD2-CB 4.09Å; S192-D196 VanDerWaalsContact O-CG 3.31Å; S192-D196 PolarHBondContact O-N 3.46Å; L193-D196 PolarHBondContact O-N 3.37Å; L194-D196 VanDerWaalsContact C-N 3.34Å; D196-G199 PolarHBondContact O-N 3.46Å; D196-L200 PolarHBondContact O-N 2.92Å
197C95.4Very high93.6Very high2 Ų251.9 Ų51.91%0.01432%0.319CS..Hα-helixtrans-63.6-43.3174.8-67.40000112L193 L194 L195 G199 L200 A201 C223 V226L193-C197 WeakPolarHBondContact O-CB 3.49Å; L193-C197 PolarHBondContact O-N 3.2Å; L193-C197 PolarHBondContact O-SG 3.44Å; L194-C197 WeakPolarHBondContact O-CB 3.5Å; L194-C197 PolarHBondContact O-N 3.41Å; L195-C197 VanDerWaalsContact C-N 3.35Å; L195-C197 PolarHBondContact O-N 3.4Å; C197-G199 VanDerWaalsContact C-N 3.35Å; C197-L200 PolarHBondContact O-N 3.25Å; C197-A201 WeakPolarHBondContact O-CB 3.42Å; C197-A201 PolarHBondContact O-N 2.89Å; C197-C223 PolarHBondContact O-SG 2.94Å; C197-C223 VanDerWaalsContact O-SG 3.39Å; C197-V226 VanDerWaalsContact SG-CG1 3.59Å
198C93.6Very high93.2Very high58 Ų5849.9 Ų49.939%0.39231%0.308SS..Hα-helixtrans-64.2-40.7175.4-69.90000111.5L194 L195 A201 V202L194-C198 PolarHBondContact O-N 3.06Å; L194-C198 PolarHBondContact O-SG 2.91Å; L195-C198 PolarHBondContact O-N 3.09Å; C198-A201 WeakPolarHBondContact O-CB 3.27Å; C198-A201 PolarHBondContact O-N 2.87Å; C198-V202 WeakPolarHBondContact O-CG2 3.43Å; C198-V202 PolarHBondContact O-N 3.47Å
199G94.5Very high92.7Very high36 Ų3649.5 Ų49.537%0.37131%0.311SS..Hα-helixtrans-59-47.2173.800000112.1L195 D196 C197 A201 V202 V203L195-G199 PolarHBondContact O-N 2.67Å; D196-G199 PolarHBondContact O-N 3.46Å; C197-G199 VanDerWaalsContact C-N 3.35Å; G199-A201 VanDerWaalsContact C-N 3.32Å; G199-A201 PolarHBondContact O-N 2.93Å; G199-V202 PolarHBondContact O-N 3.46Å; G199-V203 WeakPolarHBondContact O-CG2 3.45Å; G199-V203 PolarHBondContact O-N 2.91Å
200L93Very high92.3Very high35 Ų3553 Ų5318%0.18334%0.337CS..Hα-helixtrans-62.8-35.9174.5-80.6162.7000112.9W151 L158 D196 C197 V202 V203 C204W151-L200 HydrophobicContact CH2-CD2 4.2Å; W151-L200 HydrophobicContact CZ3-CD2 3.91Å; L158-L200 HydrophobicContact CD1-CD1 3.17Å; D196-L200 PolarHBondContact O-N 2.92Å; C197-L200 PolarHBondContact O-N 3.25Å; L200-V202 VanDerWaalsContact C-N 3.34Å; L200-V203 PolarHBondContact O-N 3.07Å; L200-C204 VanDerWaalsContact O-CB 3.25Å; L200-C204 WeakPolarHBondContact O-CB 3.44Å; L200-C204 PolarHBondContact O-N 2.93Å
201A91.8Very high91.7Very high38 Ų3859.5 Ų59.531%0.31437%0.367SS..Hα-helixtrans-65.3-38.8175.300000111.6C197 C198 G199 C204 G205 C223C197-A201 WeakPolarHBondContact O-CB 3.42Å; C197-A201 PolarHBondContact O-N 2.89Å; C198-A201 WeakPolarHBondContact O-CB 3.27Å; C198-A201 PolarHBondContact O-N 2.87Å; G199-A201 VanDerWaalsContact C-N 3.32Å; G199-A201 PolarHBondContact O-N 2.93Å; A201-C204 WeakPolarHBondContact O-CB 3.32Å; A201-C204 PolarHBondContact O-N 2.88Å; A201-G205 PolarHBondContact O-N 3.02Å; A201-C223 VanDerWaalsContact CA-SG 3.57Å; A201-C223 PolarHBondContact N-SG 3.04Å; A201-C223 VanDerWaalsContact N-SG 3.36Å
202V92.1Very high91.2Very high91 Ų9158 Ų5855%0.55237%0.365SS*.Hα-helixtrans-65.5-47.2173.9173.30000110.6C198 G199 L200 C204 G205 L206C198-V202 WeakPolarHBondContact O-CG2 3.43Å; C198-V202 PolarHBondContact O-N 3.47Å; G199-V202 PolarHBondContact O-N 3.46Å; L200-V202 VanDerWaalsContact C-N 3.34Å; V202-C204 VanDerWaalsContact C-N 3.27Å; V202-C204 PolarHBondContact O-N 3.25Å; V202-G205 PolarHBondContact O-N 3.35Å; V202-G205 VanDerWaalsContact O-N 3.07Å; V202-L206 HydrophobicContact CG1-CD1 4.07Å; V202-L206 HydrophobicContact CG1-CG 4.39Å; V202-L206 WeakPolarHBondContact O-CG 3.46Å; V202-L206 PolarHBondContact O-N 3.27Å
203V92.1Very high90.9Very high64 Ų6463.5 Ų63.539%0.38839%0.388SS..Hα-helixtrans-57.7-42.7175.4172.20000110.9G199 L200 G205 L206 L207G199-V203 WeakPolarHBondContact O-CG2 3.45Å; G199-V203 PolarHBondContact O-N 2.91Å; L200-V203 PolarHBondContact O-N 3.07Å; V203-G205 PolarHBondContact O-N 2.81Å; V203-L206 PolarHBondContact O-N 3.13Å; V203-L207 HydrophobicContact CG1-CD1 3.59Å; V203-L207 HydrophobicContact CG1-CG 4.16Å; V203-L207 WeakPolarHBondContact O-CB 3.36Å; V203-L207 WeakPolarHBondContact O-CG 3.45Å; V203-L207 PolarHBondContact O-N 3.41Å
204C91.6Very high90.5Very high2 Ų267.9 Ų67.91%0.01441%0.408CS..Hα-helixtrans-58.7-44.9173.9174.10000112W151 L200 A201 V202 G208 L216 M219 A220W151-C204 HydrophobicContact CH2-CB 3.89Å; W151-C204 HydrophobicContact CZ2-CB 4.43Å; L200-C204 VanDerWaalsContact O-CB 3.25Å; L200-C204 WeakPolarHBondContact O-CB 3.44Å; L200-C204 PolarHBondContact O-N 2.93Å; A201-C204 WeakPolarHBondContact O-CB 3.32Å; A201-C204 PolarHBondContact O-N 2.88Å; V202-C204 VanDerWaalsContact C-N 3.27Å; V202-C204 PolarHBondContact O-N 3.25Å; C204-G208 WeakPolarHBondContact O-CA 3.28Å; C204-G208 PolarHBondContact O-N 3.43Å; C204-L216 WeakPolarHBondContact O-CD1 3.34Å; C204-M219 HydrophobicContact CB-CE 4.11Å; C204-M219 HydrophobicContact CB-CG 4.16Å; C204-M219 HydrophobicContact CB-SD 4.4Å; C204-M219 VanDerWaalsContact O-CE 3.24Å; C204-M219 WeakPolarHBondContact O-CE 3.3Å; C204-M219 VanDerWaalsContact SG-CG 3.58Å; C204-A220 VanDerWaalsContact SG-CA 3.51Å; C204-A220 PolarHBondContact SG-N 2.97Å; C204-A220 VanDerWaalsContact SG-N 3.36Å
205G88.4Confident90.2Very high37 Ų3768.1 Ų68.138%0.38141%0.411SS..Hα-helixtrans-63.2-42.8177.500000112.8A201 V202 V203 A209A201-G205 PolarHBondContact O-N 3.02Å; V202-G205 PolarHBondContact O-N 3.35Å; V202-G205 VanDerWaalsContact O-N 3.07Å; V203-G205 PolarHBondContact O-N 2.81Å; G205-A209 WeakPolarHBondContact O-CB 3.37Å; G205-A209 PolarHBondContact O-N 3.49Å
206L89.8Confident90Very high128 Ų12865 Ų6567%0.6740%0.395SS*.Hα-helixtrans-69-48.4-179.7-65.8175.8000112.2V202 V203V202-L206 HydrophobicContact CG1-CD1 4.07Å; V202-L206 HydrophobicContact CG1-CG 4.39Å; V202-L206 WeakPolarHBondContact O-CG 3.46Å; V202-L206 PolarHBondContact O-N 3.27Å; V203-L206 PolarHBondContact O-N 3.13Å
207L88.4Confident89.7Confident92 Ų9263.3 Ų63.348%0.48239%0.39SS..Hα-helixtrans-75.7-36.9-179.6-63.9178.9000112.2V203 A209 S210 H211 M219V203-L207 HydrophobicContact CG1-CD1 3.59Å; V203-L207 HydrophobicContact CG1-CG 4.16Å; V203-L207 WeakPolarHBondContact O-CB 3.36Å; V203-L207 WeakPolarHBondContact O-CG 3.45Å; V203-L207 PolarHBondContact O-N 3.41Å; L207-A209 VanDerWaalsContact C-N 3.3Å; L207-A209 PolarHBondContact O-N 2.99Å; L207-S210 PolarHBondContact O-N 3.46Å; L207-S210 PolarHBondContact O-OG 2.66Å; L207-H211 PolarHBondContact O-CD2 3.01Å; L207-M219 HydrophobicContact CB-CE 4.32Å
208G83.5Confident89.6Confident1 Ų163.3 Ų63.31%0.0139%0.389CS..Hα-helixtrans-72.5-24.7-177.400000113.2C204 S210 H211 G212C204-G208 WeakPolarHBondContact O-CA 3.28Å; C204-G208 PolarHBondContact O-N 3.43Å; G208-S210 PolarHBondContact O-N 2.96Å; G208-H211 PolarHBondContact O-N 3.46Å; G208-G212 PolarHBondContact O-N 3.15Å
209A84.1Confident89.5Confident79 Ų7961.5 Ų61.565%0.65338%0.376SS*.Hα-helixtrans-62.3-29.3176.300000113G205 L207G205-A209 WeakPolarHBondContact O-CB 3.37Å; G205-A209 PolarHBondContact O-N 3.49Å; L207-A209 VanDerWaalsContact C-N 3.3Å; L207-A209 PolarHBondContact O-N 2.99Å
210S86.1Confident89.4Confident89 Ų8960.9 Ų60.962%0.62237%0.367SS*.Hα-helixtrans-85.2-30.2179.558.40000114L207 G208L207-S210 PolarHBondContact O-N 3.46Å; L207-S210 PolarHBondContact O-OG 2.66Å; G208-S210 PolarHBondContact O-N 2.96Å
211H83.9Confident89.4Confident136 Ų13660.2 Ų60.263%0.6337%0.366SS*.Hα-helixtrans-94.1-6.3-174.2-71.6-79.8000114.8L207 G208 T215L207-H211 PolarHBondContact O-CD2 3.01Å; G208-H211 PolarHBondContact O-N 3.46Å; H211-T215 HydrophobicContact CB-CG2 4.39Å
212G86.6Confident89.5Confident34 Ų3459.3 Ų59.335%0.35136%0.356SS..  trans110.2158.1174.600000114.7G208 H214 T215 L216G208-G212 PolarHBondContact O-N 3.15Å; G212-H214 PolarHBondContact O-N 3.44Å; G212-T215 PolarHBondContact O-N 3.38Å; G212-L216 WeakPolarHBondContact O-CB 3.42Å; G212-L216 PolarHBondContact O-N 3.03Å
213M88.2Confident89.6Confident161 Ų16155 Ų5579%0.79333%0.33SS*.Hα-helixtrans-65.2-33.6-169.4-66.5171.564.800114.1S217M213-S217 WeakPolarHBondContact O-CB 3.44Å; M213-S217 PolarHBondContact O-N 3.26Å
214H88.6Confident89.8Confident93 Ų9355.9 Ų55.943%0.43133%0.332SS..Hα-helixtrans-70.9-46.1179.8-68.2-83.3000111.9G212 L216 S217 F218 H278 F282G212-H214 PolarHBondContact O-N 3.44Å; H214-L216 VanDerWaalsContact C-N 3.34Å; H214-S217 WeakPolarHBondContact O-CB 3.3Å; H214-S217 PolarHBondContact O-N 3.41Å; H214-S217 VanDerWaalsContact O-N 3.17Å; H214-F218 VanDerWaalsContact O-CD2 3.25Å; H214-F218 WeakPolarHBondContact O-CD2 3.38Å; H214-F218 PolarHBondContact O-N 3.35Å; H214-H278 AromaticContact ND1-NE2 3.42Å; H214-H278 PolarHBondContact ND1-NE2 3.12Å; H214-F282 HydrophobicContact CB-CD2 4.22Å; H214-F282 HydrophobicContact CB-CE1 4.49Å; H214-F282 HydrophobicContact CB-CE2 3.92Å; H214-F282 HydrophobicContact CB-CZ 4.07Å; H214-F282 AromaticContact CD2-CE2 3.84Å; H214-F282 AromaticContact CE1-CD2 3.82Å; H214-F282 AromaticContact CG-CD2 3.72Å; H214-F282 AromaticContact CG-CE2 3.58Å; H214-F282 AromaticContact ND1-CD2 3.42Å; H214-F282 WeakPolarHBondContact ND1-CD2 3.21Å; H214-F282 AromaticContact ND1-CE2 3.79Å
215T89.1Confident89.9Confident53 Ų5356.6 Ų56.633%0.32534%0.336SS..Hα-helixtrans-61.5-43.3175.2-50.50000111W148 H211 G212 S217 F218 M219W148-T215 HydrophobicContact CZ2-CG2 4.14Å; H211-T215 HydrophobicContact CB-CG2 4.39Å; G212-T215 PolarHBondContact O-N 3.38Å; T215-S217 VanDerWaalsContact C-N 3.33Å; T215-S217 PolarHBondContact O-N 3.44Å; T215-F218 PolarHBondContact O-N 2.9Å; T215-M219 WeakPolarHBondContact O-CB 3.43Å; T215-M219 PolarHBondContact O-N 3.36Å
216L92.4Very high90.3Very high51 Ų5155 Ų5527%0.26732%0.318SS..Hα-helixtrans-56.6-45.9172.3173.363.8000111.7C204 G212 H214 F218 M219 A220C204-L216 WeakPolarHBondContact O-CD1 3.34Å; G212-L216 WeakPolarHBondContact O-CB 3.42Å; G212-L216 PolarHBondContact O-N 3.03Å; H214-L216 VanDerWaalsContact C-N 3.34Å; L216-F218 PolarHBondContact O-N 3.49Å; L216-M219 PolarHBondContact O-N 2.75Å; L216-A220 WeakPolarHBondContact O-CB 3.4Å; L216-A220 PolarHBondContact O-N 3.39Å
217S91.4Very high90.6Very high49 Ų4950.4 Ų50.434%0.34330%0.295SS..Hα-helixtrans-61.1-44.6179.3-177.50000112.3M213 H214 T215 A220 A221 H278M213-S217 WeakPolarHBondContact O-CB 3.44Å; M213-S217 PolarHBondContact O-N 3.26Å; H214-S217 WeakPolarHBondContact O-CB 3.3Å; H214-S217 PolarHBondContact O-N 3.41Å; H214-S217 VanDerWaalsContact O-N 3.17Å; T215-S217 VanDerWaalsContact C-N 3.33Å; T215-S217 PolarHBondContact O-N 3.44Å; S217-A220 PolarHBondContact O-N 3.19Å; S217-A221 WeakPolarHBondContact O-CB 3.47Å; S217-A221 PolarHBondContact O-N 2.72Å; S217-H278 PolarHBondContact OG-CE1 3.45Å
218F91.8Very high90.9Very high2 Ų247.6 Ų47.61%0.00928%0.282CS..Hα-helixtrans-64.5-41176.7-69.8-49.3000112.9F132 L137 W148 H214 T215 L216 H278 M279 F282F132-F218 AromaticContact CE2-CD1 3.85Å; F132-F218 HydrophobicContact CE2-CD1 3.85Å; F132-F218 HydrophobicContact CE2-CE1 4.18Å; F132-F218 HydrophobicContact CE2-CG 4.23Å; F132-F218 HydrophobicContact CZ-CB 3.96Å; F132-F218 AromaticContact CZ-CD1 3.96Å; F132-F218 HydrophobicContact CZ-CD1 3.96Å; F132-F218 HydrophobicContact CZ-CD2 4.46Å; F132-F218 AromaticContact CZ-CG 3.88Å; F132-F218 HydrophobicContact CZ-CG 3.88Å; L137-F218 HydrophobicContact CD2-CD2 3.84Å; L137-F218 HydrophobicContact CD2-CE2 4.01Å; W148-F218 HydrophobicContact CH2-CB 4.06Å; H214-F218 VanDerWaalsContact O-CD2 3.25Å; H214-F218 WeakPolarHBondContact O-CD2 3.38Å; H214-F218 PolarHBondContact O-N 3.35Å; T215-F218 PolarHBondContact O-N 2.9Å; L216-F218 PolarHBondContact O-N 3.49Å; F218-H278 AromaticContact CD1-CE1 3.91Å; F218-H278 AromaticContact CD1-ND1 3.56Å; F218-H278 AromaticContact CE1-CE1 3.52Å; F218-H278 AromaticContact CE1-ND1 3.1Å; F218-H278 WeakPolarHBondContact CE1-ND1 3.3Å; F218-H278 AromaticContact CE2-CE1 3.91Å; F218-H278 AromaticContact CZ-CE1 3.53Å; F218-H278 AromaticContact CZ-ND1 3.55Å; F218-M279 HydrophobicContact CD1-CG 4.13Å; F218-M279 HydrophobicContact CE1-CB 4.32Å; F218-M279 HydrophobicContact CE1-CG 3.56Å; F218-F282 AromaticContact CE2-CD1 3.66Å; F218-F282 HydrophobicContact CE2-CD1 3.66Å; F218-F282 HydrophobicContact CE2-CE1 4.16Å; F218-F282 HydrophobicContact CE2-CG 4.34Å; F218-F282 HydrophobicContact CZ-CB 4.11Å; F218-F282 AromaticContact CZ-CD1 3.9Å; F218-F282 HydrophobicContact CZ-CD1 3.9Å; F218-F282 HydrophobicContact CZ-CG 4.31Å
219M91.8Very high91.5Very high21 Ų2149.9 Ų49.910%0.10329%0.29CS..Hα-helixtrans-66.3-42.5177.4-168.8169.14700111W151 C204 L207 T215 L216W151-M219 HydrophobicContact CD2-CG 3.91Å; W151-M219 HydrophobicContact CD2-SD 4.23Å; W151-M219 HydrophobicContact CE3-CG 4.27Å; W151-M219 HydrophobicContact CE3-SD 4.12Å; W151-M219 HydrophobicContact CH2-CG 3.68Å; W151-M219 HydrophobicContact CH2-SD 4.09Å; W151-M219 HydrophobicContact CZ2-CB 4.42Å; W151-M219 HydrophobicContact CZ2-CG 3.22Å; W151-M219 WeakPolarHBondContact CZ2-O 3.5Å; W151-M219 HydrophobicContact CZ2-SD 4.18Å; W151-M219 HydrophobicContact CZ3-CG 4.17Å; W151-M219 HydrophobicContact CZ3-SD 4.04Å; C204-M219 HydrophobicContact CB-CE 4.11Å; C204-M219 HydrophobicContact CB-CG 4.16Å; C204-M219 HydrophobicContact CB-SD 4.4Å; C204-M219 VanDerWaalsContact O-CE 3.24Å; C204-M219 WeakPolarHBondContact O-CE 3.3Å; C204-M219 VanDerWaalsContact SG-CG 3.58Å; L207-M219 HydrophobicContact CB-CE 4.32Å; T215-M219 WeakPolarHBondContact O-CB 3.43Å; T215-M219 PolarHBondContact O-N 3.36Å; L216-M219 PolarHBondContact O-N 2.75Å
220A92.9Very high92.1Very high23 Ų2346.1 Ų46.119%0.1926%0.259CS..Hα-helixtrans-72.1-35-177.900000113.3C204 L216 S217 E222 C223 L224C204-A220 VanDerWaalsContact SG-CA 3.51Å; C204-A220 PolarHBondContact SG-N 2.97Å; C204-A220 VanDerWaalsContact SG-N 3.36Å; L216-A220 WeakPolarHBondContact O-CB 3.4Å; L216-A220 PolarHBondContact O-N 3.39Å; S217-A220 PolarHBondContact O-N 3.19Å; A220-E222 PolarHBondContact O-N 3.21Å; A220-C223 WeakPolarHBondContact O-CB 3.34Å; A220-C223 PolarHBondContact O-N 3.04Å; A220-C223 VanDerWaalsContact O-N 3.16Å; A220-L224 HydrophobicContact CB-CD1 4.5Å; A220-L224 WeakPolarHBondContact O-CB 3.48Å; A220-L224 VanDerWaalsContact O-CG 3.31Å; A220-L224 WeakPolarHBondContact O-CG 3.41Å; A220-L224 PolarHBondContact O-N 3.4Å
221A93.6Very high92.6Very high20 Ų2042.9 Ų42.917%0.16524%0.24CC..Hα-helixtrans-56.1-50.7-172.100000113.1S217 L224 L225 H275S217-A221 WeakPolarHBondContact O-CB 3.47Å; S217-A221 PolarHBondContact O-N 2.72Å; A221-L224 PolarHBondContact O-N 3.05Å; A221-L225 WeakPolarHBondContact O-CB 3.43Å; A221-L225 PolarHBondContact O-N 3.42Å; A221-H275 HydrophobicContact CB-CB 4.06Å; A221-H275 VanDerWaalsContact CB-CD2 3.4Å; A221-H275 WeakPolarHBondContact CB-CD2 3.26Å
222E92.7Very high93.1Very high19 Ų1936.7 Ų36.79%0.08921%0.212CC..Hα-helixtrans-68.8-36.5178.8-67.7-65.9162.600112.1K129 L155 A220 L225 V226 H275K129-E222 IonicContact NZ-OE1 3.13Å; K129-E222 PolarHBondContact NZ-OE1 3.46Å; K129-E222 IonicContact NZ-OE2 3.62Å; L155-E222 HydrophobicContact CD1-CB 3.65Å; L155-E222 HydrophobicContact CD1-CG 4.49Å; A220-E222 PolarHBondContact O-N 3.21Å; E222-L225 PolarHBondContact O-N 3.36Å; E222-V226 WeakPolarHBondContact O-CG2 3.46Å; E222-V226 PolarHBondContact O-N 2.9Å; E222-H275 IonicContact OE1-CE1 3.47Å; E222-H275 PolarHBondContact OE1-CE1 3.02Å; E222-H275 IonicContact OE1-ND1 3.86Å
223C94.9Very high93.6Very high2 Ų235.3 Ų35.31%0.01420%0.196CC..Hα-helixtrans-62.8-44176.1-166.40000111.4L155 C197 A201 A220 T227L155-C223 HydrophobicContact CD2-CB 4.45Å; C197-C223 PolarHBondContact O-SG 2.94Å; C197-C223 VanDerWaalsContact O-SG 3.39Å; A201-C223 VanDerWaalsContact CA-SG 3.57Å; A201-C223 PolarHBondContact N-SG 3.04Å; A201-C223 VanDerWaalsContact N-SG 3.36Å; A220-C223 WeakPolarHBondContact O-CB 3.34Å; A220-C223 PolarHBondContact O-N 3.04Å; A220-C223 VanDerWaalsContact O-N 3.16Å; C223-T227 WeakPolarHBondContact O-CB 3.06Å; C223-T227 PolarHBondContact O-N 3.16Å; C223-T227 PolarHBondContact O-OG1 2.99Å
224L95.3Very high93.9Very high82 Ų8229 Ų2943%0.42917%0.165SC..Hα-helixtrans-64.4-42.3174.7-70.4173.5000111.3A220 A221 V226 T227 V228A220-L224 HydrophobicContact CB-CD1 4.5Å; A220-L224 WeakPolarHBondContact O-CB 3.48Å; A220-L224 VanDerWaalsContact O-CG 3.31Å; A220-L224 WeakPolarHBondContact O-CG 3.41Å; A220-L224 PolarHBondContact O-N 3.4Å; A221-L224 PolarHBondContact O-N 3.05Å; L224-V226 PolarHBondContact O-N 2.99Å; L224-T227 PolarHBondContact O-N 3.5Å; L224-V228 WeakPolarHBondContact O-CG2 3.3Å; L224-V228 PolarHBondContact O-N 2.85Å
225L95.1Very high94.1Very high17 Ų1727.3 Ų27.39%0.08916%0.159CC..Hα-helixtrans-61.7-44.6178.5-171.870.3000111.9A221 E222 R229 M268 L271A221-L225 WeakPolarHBondContact O-CB 3.43Å; A221-L225 PolarHBondContact O-N 3.42Å; E222-L225 PolarHBondContact O-N 3.36Å; L225-R229 WeakPolarHBondContact O-CB 3.36Å; L225-R229 PolarHBondContact O-N 3.15Å; L225-M268 HydrophobicContact CD1-CB 4.25Å; L225-M268 HydrophobicContact CD1-CG 4.41Å; L225-L271 HydrophobicContact CD1-CB 4.44Å
226V95.4Very high94.3Very high3 Ų327.9 Ų27.92%0.01816%0.155CC..Hα-helixtrans-67.1-39176179.30000110.9L158 H159 V162 C197 E222 L224 R229 T230L158-V226 HydrophobicContact CB-CG1 4.25Å; H159-V226 HydrophobicContact CB-CG2 4.15Å; V162-V226 HydrophobicContact CG2-CG1 4.45Å; C197-V226 VanDerWaalsContact SG-CG1 3.59Å; E222-V226 WeakPolarHBondContact O-CG2 3.46Å; E222-V226 PolarHBondContact O-N 2.9Å; L224-V226 PolarHBondContact O-N 2.99Å; V226-R229 PolarHBondContact O-N 3.43Å; V226-T230 WeakPolarHBondContact O-CB 3.44Å; V226-T230 PolarHBondContact O-N 3.33Å; V226-T230 PolarHBondContact O-OG1 2.98Å
227T95.6Very high94.3Very high31 Ų3125.5 Ų25.519%0.1914%0.142CC..Hα-helixtrans-61.4-49.5176.7-57.80000111.6L194 C223 L224 R229 T230 G231L194-T227 HydrophobicContact CD1-CG2 4.02Å; C223-T227 WeakPolarHBondContact O-CB 3.06Å; C223-T227 PolarHBondContact O-N 3.16Å; C223-T227 PolarHBondContact O-OG1 2.99Å; L224-T227 PolarHBondContact O-N 3.5Å; T227-R229 PolarHBondContact O-N 3.28Å; T227-T230 PolarHBondContact O-N 2.94Å; T227-G231 PolarHBondContact O-N 3.36Å
228V96.5Very high94.2Very high34 Ų3426 Ų2621%0.20615%0.145CC..Hα-helixtrans-63.8-41.9178.2173.80000111.1L224 T230 G231 H232 M264 A267 M268 L271L224-V228 WeakPolarHBondContact O-CG2 3.3Å; L224-V228 PolarHBondContact O-N 2.85Å; V228-T230 VanDerWaalsContact C-N 3.34Å; V228-T230 PolarHBondContact O-N 3.31Å; V228-G231 PolarHBondContact O-N 3.24Å; V228-H232 PolarHBondContact O-N 2.95Å; V228-M264 HydrophobicContact CG1-CE 3.74Å; V228-M264 VanDerWaalsContact O-CE 3.23Å; V228-M264 WeakPolarHBondContact O-CE 3.32Å; V228-A267 HydrophobicContact CG1-CB 4.36Å; V228-M268 HydrophobicContact CB-CG 4.44Å; V228-M268 HydrophobicContact CG1-CG 3.72Å; V228-L271 HydrophobicContact CB-CD1 4.3Å; V228-L271 HydrophobicContact CG2-CD1 3.72Å
229R95.8Very high94.2Very high48 Ų4826.9 Ų26.918%0.18115%0.15CC..Hα-helixtrans-60.5-43.2174.9-179.9179.1-82.1105.9-3.2111.7H159 V162 L225 V226 T227 H232 V233 M268H159-R229 PolarHBondContact NE2-NH1 3.47Å; V162-R229 HydrophobicContact CG1-CG 3.96Å; L225-R229 WeakPolarHBondContact O-CB 3.36Å; L225-R229 PolarHBondContact O-N 3.15Å; V226-R229 PolarHBondContact O-N 3.43Å; T227-R229 PolarHBondContact O-N 3.28Å; R229-H232 WeakPolarHBondContact O-CB 3.24Å; R229-H232 PolarHBondContact O-N 3.23Å; R229-V233 WeakPolarHBondContact O-CG2 3.4Å; R229-V233 PolarHBondContact O-N 3.47Å; R229-M268 HydrophobicContact CB-SD 3.89Å; R229-M268 HydrophobicContact CG-SD 4.31Å
230T96.3Very high94.1Very high0 Ų027 Ų270%015%0.15CC..Hα-helixtrans-63.8-46.9177.8-540000110.6V162 L190 L194 V226 T227 V228 H232 V233 I234V162-T230 HydrophobicContact CG2-CG2 4.27Å; V162-T230 WeakPolarHBondContact CG2-OG1 3.45Å; L190-T230 HydrophobicContact CD1-CG2 3.82Å; L190-T230 HydrophobicContact CG-CG2 4.27Å; L194-T230 HydrophobicContact CB-CG2 3.93Å; L194-T230 HydrophobicContact CD1-CG2 4.25Å; V226-T230 WeakPolarHBondContact O-CB 3.44Å; V226-T230 PolarHBondContact O-N 3.33Å; V226-T230 PolarHBondContact O-OG1 2.98Å; T227-T230 PolarHBondContact O-N 2.94Å; V228-T230 VanDerWaalsContact C-N 3.34Å; V228-T230 PolarHBondContact O-N 3.31Å; T230-H232 VanDerWaalsContact C-N 3.29Å; T230-H232 PolarHBondContact O-N 3.49Å; T230-V233 PolarHBondContact O-N 3.15Å; T230-I234 HydrophobicContact CG2-CD1 4.05Å; T230-I234 WeakPolarHBondContact O-CG1 3.38Å; T230-I234 PolarHBondContact O-N 3.47Å
231G95.6Very high93.9Very high22 Ų2229 Ų2923%0.22716%0.158CC..Hα-helixtrans-58.3-38.3174.800000113.2T227 V228 I234 M235T227-G231 PolarHBondContact O-N 3.36Å; V228-G231 PolarHBondContact O-N 3.24Å; G231-I234 PolarHBondContact O-N 2.95Å; G231-M235 WeakPolarHBondContact O-CB 3.44Å; G231-M235 PolarHBondContact O-N 2.94Å
232H95.9Very high93.6Very high6 Ų635.3 Ų35.33%0.02818%0.177CC..Hα-helixtrans-60.6-48.4175.6178.2-140.2000111.7V228 R229 T230 M235 R236 D261 M264V228-H232 PolarHBondContact O-N 2.95Å; R229-H232 WeakPolarHBondContact O-CB 3.24Å; R229-H232 PolarHBondContact O-N 3.23Å; T230-H232 VanDerWaalsContact C-N 3.29Å; T230-H232 PolarHBondContact O-N 3.49Å; H232-M235 PolarHBondContact O-N 2.83Å; H232-R236 WeakPolarHBondContact O-CG 3.27Å; H232-R236 PolarHBondContact O-N 3.38Å; H232-D261 IonicContact CD2-OD1 3.78Å; H232-D261 IonicContact CE1-OD1 3.66Å; H232-D261 IonicContact NE2-OD1 2.98Å; H232-D261 PolarHBondContact NE2-OD1 3.19Å; H232-M264 HydrophobicContact CB-CB 3.85Å; H232-M264 HydrophobicContact CB-CE 3.9Å; H232-M264 HydrophobicContact CB-CG 4.1Å; H232-M264 VanDerWaalsContact CD2-CB 3.49Å; H232-M264 WeakPolarHBondContact CD2-CB 3.46Å
233V95.7Very high93.4Very high4 Ų436.1 Ų36.12%0.02418%0.182CC..Hα-helixtrans-63.6-43177.9-1770000110.6K166 L190 R229 T230 M235 R236 Y237K166-V233 HydrophobicContact CB-CG1 4.47Å; K166-V233 HydrophobicContact CB-CG2 3.87Å; K166-V233 HydrophobicContact CD-CG2 4.47Å; K166-V233 HydrophobicContact CG-CG2 4.13Å; L190-V233 HydrophobicContact CD1-CB 4.38Å; L190-V233 HydrophobicContact CD1-CG1 4.29Å; L190-V233 HydrophobicContact CD2-CB 4.05Å; L190-V233 HydrophobicContact CD2-CG1 3.67Å; R229-V233 WeakPolarHBondContact O-CG2 3.4Å; R229-V233 PolarHBondContact O-N 3.47Å; T230-V233 PolarHBondContact O-N 3.15Å; V233-M235 VanDerWaalsContact C-N 3.34Å; V233-M235 PolarHBondContact O-N 3.15Å; V233-R236 PolarHBondContact O-N 2.74Å; V233-Y237 WeakPolarHBondContact O-CB 3.04Å; V233-Y237 PolarHBondContact O-N 2.81Å
234I94.9Very high92.9Very high28 Ų2840.7 Ų40.714%0.14421%0.206CC..Hα-helixtrans-59.6-45.8177.4-68.5169000110.8L190 L194 T230 G231 Y237 S238L190-I234 HydrophobicContact CB-CG1 4.4Å; L190-I234 HydrophobicContact CD1-CG1 4.46Å; L190-I234 HydrophobicContact CD2-CB 4.15Å; L190-I234 HydrophobicContact CD2-CD1 4.42Å; L190-I234 HydrophobicContact CD2-CG1 3.28Å; L190-I234 HydrophobicContact CG-CD1 4.07Å; L190-I234 HydrophobicContact CG-CG1 3.42Å; L190-I234 VanDerWaalsContact CG-CG1 3.42Å; L194-I234 HydrophobicContact CB-CD1 4.01Å; L194-I234 HydrophobicContact CD2-CD1 3.68Å; L194-I234 HydrophobicContact CG-CD1 4.34Å; T230-I234 HydrophobicContact CG2-CD1 4.05Å; T230-I234 WeakPolarHBondContact O-CG1 3.38Å; T230-I234 PolarHBondContact O-N 3.47Å; G231-I234 PolarHBondContact O-N 2.95Å; I234-Y237 WeakPolarHBondContact O-CB 3.17Å; I234-Y237 PolarHBondContact O-N 2.69Å; I234-S238 WeakPolarHBondContact O-CB 3.36Å; I234-S238 PolarHBondContact O-N 2.98Å; I234-S238 PolarHBondContact O-OG 2.94Å
235M93.6Very high92.4Very high59 Ų5943.2 Ų43.229%0.29122%0.22SC..Hα-helixtrans-64.2-45.2-178.9-177.6167.651.500111.4G231 H232 V233 Y237 S238 I239 T260 M264G231-M235 WeakPolarHBondContact O-CB 3.44Å; G231-M235 PolarHBondContact O-N 2.94Å; H232-M235 PolarHBondContact O-N 2.83Å; V233-M235 VanDerWaalsContact C-N 3.34Å; V233-M235 PolarHBondContact O-N 3.15Å; M235-Y237 VanDerWaalsContact C-N 3.3Å; M235-Y237 PolarHBondContact O-N 3.35Å; M235-S238 PolarHBondContact O-N 2.95Å; M235-I239 HydrophobicContact CG-CD1 4.25Å; M235-I239 WeakPolarHBondContact O-CG1 3.28Å; M235-I239 PolarHBondContact O-N 2.79Å; M235-T260 HydrophobicContact CE-CG2 3.79Å; M235-T260 HydrophobicContact CG-CG2 4Å; M235-T260 HydrophobicContact SD-CG2 3.39Å; M235-T260 WeakPolarHBondContact SD-CG2 3.45Å; M235-M264 HydrophobicContact CE-CG 3.2Å; M235-M264 HydrophobicContact CE-SD 3.8Å
236R93Very high91.9Very high64 Ų6446.3 Ų46.324%0.24223%0.234CC..Hα-helixtrans-60-41.5173.8-68.2-167.883.3-178.30.8112.1F169 H232 V233 S238 I239 H240 D261F169-R236 HydrophobicContact CE1-CB 3.7Å; F169-R236 HydrophobicContact CZ-CB 3.83Å; H232-R236 WeakPolarHBondContact O-CG 3.27Å; H232-R236 PolarHBondContact O-N 3.38Å; V233-R236 PolarHBondContact O-N 2.74Å; R236-S238 VanDerWaalsContact C-N 3.35Å; R236-I239 PolarHBondContact O-N 2.97Å; R236-H240 PolarHBondContact O-N 2.96Å; R236-D261 WeakPolarHBondContact CD-OD1 3.48Å; R236-D261 WeakPolarHBondContact CG-OD1 3.42Å; R236-D261 IonicContact CZ-OD1 3.93Å; R236-D261 IonicContact CZ-OD2 2.98Å; R236-D261 IonicContact NE-OD1 2.9Å; R236-D261 PolarHBondContact NE-OD1 3.45Å; R236-D261 VanDerWaalsContact NE-OD1 3.15Å; R236-D261 IonicContact NE-OD2 3.01Å; R236-D261 PolarHBondContact NE-OD2 3.4Å; R236-D261 IonicContact NH2-OD2 2.64Å; R236-D261 PolarHBondContact NH2-OD2 3Å
237Y91.6Very high90.9Very high1 Ų152 Ų520%0.00427%0.27CS..Hα-helixtrans-63.5-42.5177.7-146.2-70.6000111.9F169 H183 V186 L187 V233 I234 M235 H240 L241F169-Y237 HydrophobicContact CB-CD2 3.92Å; F169-Y237 HydrophobicContact CB-CE2 3.93Å; F169-Y237 AromaticContact CD2-CD2 3.19Å; F169-Y237 HydrophobicContact CD2-CD2 3.19Å; F169-Y237 AromaticContact CD2-CE2 3.48Å; F169-Y237 HydrophobicContact CD2-CE2 3.48Å; F169-Y237 VanDerWaalsContact CD2-CE2 3.48Å; F169-Y237 AromaticContact CD2-CG 3.89Å; F169-Y237 HydrophobicContact CD2-CG 3.89Å; F169-Y237 AromaticContact CE2-CD2 3.93Å; F169-Y237 HydrophobicContact CE2-CD2 3.93Å; F169-Y237 HydrophobicContact CE2-CE2 4.42Å; F169-Y237 HydrophobicContact CE2-CG 4.17Å; F169-Y237 AromaticContact CG-CD2 3.76Å; F169-Y237 HydrophobicContact CG-CD2 3.76Å; F169-Y237 HydrophobicContact CG-CE2 4.1Å; H183-Y237 WeakPolarHBondContact CA-OH 3.41Å; H183-Y237 HydrophobicContact CB-CE1 4.09Å; H183-Y237 WeakPolarHBondContact CB-OH 3.39Å; H183-Y237 AromaticContact ND1-CE1 3.84Å; H183-Y237 AromaticContact ND1-CZ 3.58Å; H183-Y237 PolarHBondContact ND1-OH 3.15Å; H183-Y237 PolarHBondContact O-OH 2.95Å; V186-Y237 HydrophobicContact CG1-CE2 4.04Å; L187-Y237 HydrophobicContact CD1-CD1 4.21Å; L187-Y237 HydrophobicContact CD1-CG 4.39Å; V233-Y237 WeakPolarHBondContact O-CB 3.04Å; V233-Y237 PolarHBondContact O-N 2.81Å; I234-Y237 WeakPolarHBondContact O-CB 3.17Å; I234-Y237 PolarHBondContact O-N 2.69Å; M235-Y237 VanDerWaalsContact C-N 3.3Å; M235-Y237 PolarHBondContact O-N 3.35Å; Y237-H240 PolarHBondContact O-N 3.47Å; Y237-L241 WeakPolarHBondContact O-CB 3.21Å; Y237-L241 PolarHBondContact O-N 3.25Å
238S90.3Very high89.9Confident59 Ų5953.1 Ų53.141%0.41329%0.289SS..Hα-helixtrans-63.8-42.6179.7-57.20000111I234 M235 R236 L241 W242I234-S238 WeakPolarHBondContact O-CB 3.36Å; I234-S238 PolarHBondContact O-N 2.98Å; I234-S238 PolarHBondContact O-OG 2.94Å; M235-S238 PolarHBondContact O-N 2.95Å; R236-S238 VanDerWaalsContact C-N 3.35Å; S238-L241 PolarHBondContact O-N 2.8Å; S238-W242 VanDerWaalsContact O-CB 3.31Å; S238-W242 WeakPolarHBondContact O-CB 3.39Å; S238-W242 PolarHBondContact O-N 2.82Å
239I91.6Very high88.7Confident22 Ų2255.1 Ų55.111%0.11330%0.301CS..Hα-helixtrans-62.4-43.2174.8-64.9164.6000110.8M235 R236 W242 D243 W250 K253 V257 T260M235-I239 HydrophobicContact CG-CD1 4.25Å; M235-I239 WeakPolarHBondContact O-CG1 3.28Å; M235-I239 PolarHBondContact O-N 2.79Å; R236-I239 PolarHBondContact O-N 2.97Å; I239-W242 PolarHBondContact O-N 3.07Å; I239-D243 PolarHBondContact O-N 3Å; I239-W250 HydrophobicContact CG2-CH2 4.14Å; I239-W250 HydrophobicContact CG2-CZ3 3.9Å; I239-K253 HydrophobicContact CG2-CG 4.46Å; I239-V257 HydrophobicContact CG2-CG2 3.7Å; I239-T260 HydrophobicContact CD1-CG2 3.92Å
240H89.3Confident87.8Confident22 Ų2255.5 Ų55.510%0.10230%0.303CS..Hα-helixtrans-65.5-43.9178.1-178.8-89.1000112.7F169 S173 R236 Y237 W242 D243 L244F169-H240 HydrophobicContact CE2-CB 3.92Å; F169-H240 HydrophobicContact CZ-CB 4.3Å; S173-H240 WeakPolarHBondContact CA-NE2 3.32Å; R236-H240 PolarHBondContact O-N 2.96Å; Y237-H240 PolarHBondContact O-N 3.47Å; H240-W242 VanDerWaalsContact C-N 3.31Å; H240-W242 PolarHBondContact O-N 2.64Å; H240-D243 WeakPolarHBondContact O-CB 3.38Å; H240-D243 PolarHBondContact O-N 2.93Å; H240-L244 PolarHBondContact O-N 3.44Å
241L88.3Confident86.7Confident65 Ų6558.7 Ų58.734%0.3432%0.318SS..Hα-helixtrans-66.7-36.8178.6-174.962.5000111.6L187 Y237 S238 D243 L244 N245L187-L241 HydrophobicContact CD2-CD2 4.44Å; Y237-L241 WeakPolarHBondContact O-CB 3.21Å; Y237-L241 PolarHBondContact O-N 3.25Å; S238-L241 PolarHBondContact O-N 2.8Å; L241-D243 VanDerWaalsContact C-N 3.33Å; L241-L244 PolarHBondContact O-N 2.96Å; L241-N245 PolarHBondContact O-N 2.99Å
242W88.6Confident85.9Confident153 Ų15360 Ų6058%0.5832%0.324SS*.Hα-helixtrans-60.3-44.3173.1-175.4-87.5000111.6S238 I239 H240 N245 H246 W250S238-W242 VanDerWaalsContact O-CB 3.31Å; S238-W242 WeakPolarHBondContact O-CB 3.39Å; S238-W242 PolarHBondContact O-N 2.82Å; I239-W242 PolarHBondContact O-N 3.07Å; H240-W242 VanDerWaalsContact C-N 3.31Å; H240-W242 PolarHBondContact O-N 2.64Å; W242-N245 PolarHBondContact O-N 3.13Å; W242-H246 PolarHBondContact O-N 3.02Å; W242-W250 HydrophobicContact CB-CZ3 4.34Å; W242-W250 AromaticContact CD1-CE3 3.79Å; W242-W250 AromaticContact CD1-CH2 3.76Å; W242-W250 AromaticContact CD1-CZ3 3.42Å; W242-W250 VanDerWaalsContact CD1-CZ3 3.42Å; W242-W250 HydrophobicContact CG-CZ3 4.2Å
243D87.4Confident85.3Confident36 Ų3662.8 Ų62.819%0.19334%0.336CS..Hα-helixtrans-61.2-44.8177.1-173.666.5000112.4I239 H240 L241 N245 H246 W250 K253I239-D243 PolarHBondContact O-N 3Å; H240-D243 WeakPolarHBondContact O-CB 3.38Å; H240-D243 PolarHBondContact O-N 2.93Å; L241-D243 VanDerWaalsContact C-N 3.33Å; D243-N245 PolarHBondContact O-N 2.7Å; D243-H246 PolarHBondContact O-N 3.18Å; D243-W250 HydrophobicContact CB-CE3 4.02Å; D243-W250 HydrophobicContact CB-CZ3 4.44Å; D243-K253 HydrophobicContact CB-CD 4.23Å; D243-K253 VanDerWaalsContact OD2-CE 3.32Å; D243-K253 WeakPolarHBondContact OD2-CE 3.46Å; D243-K253 IonicContact OD2-NZ 3.78Å; D243-K253 PolarHBondContact OD2-NZ 2.78Å
244L84.4Confident84.7Confident99 Ų9964.5 Ų64.552%0.51835%0.354SS..Hα-helixtrans-61.7-30.4176.6-71.6179.2000113.6H240 L241H240-L244 PolarHBondContact O-N 3.44Å; L241-L244 PolarHBondContact O-N 2.96Å
245N85.3Confident84.3Confident134 Ų13465.3 Ų65.372%0.71736%0.36SS*.Hα-helixtrans-91.1-10.4-179-169.472.7000112.8L241 W242 D243 P247L241-N245 PolarHBondContact O-N 2.99Å; W242-N245 PolarHBondContact O-N 3.13Å; D243-N245 PolarHBondContact O-N 2.7Å; N245-P247 WeakPolarHBondContact O-CD 3.23Å
246H83.9Confident84.1Confident83 Ų8368.7 Ų68.738%0.38437%0.37SS..SBendtrans-77.8125.7-175.9-161.571.5000110.7W242 D243 G248W242-H246 PolarHBondContact O-N 3.02Å; D243-H246 PolarHBondContact O-N 3.18Å; H246-G248 PolarHBondContact O-N 2.94Å
247P75.7Confident84Confident121 Ų12167.2 Ų67.279%0.78637%0.369SS*.SBendtrans-74.897.3173.929.3-31.6000109.7N245N245-P247 WeakPolarHBondContact O-CD 3.23Å
248G74.3Confident84Confident56 Ų5669.5 Ų69.558%0.57738%0.377SS*.SBendtrans121.2175.5178.100000113.6H246 W250H246-G248 PolarHBondContact O-N 2.94Å; G248-W250 PolarHBondContact O-N 3.36Å
249T70.6Confident84.1Confident76 Ų7670.8 Ų70.847%0.46637%0.374SS..  trans-80.2115.6-17952.40000111.4E251T249-E251 PolarHBondContact O-N 2.93Å
250W77.8Confident84.1Confident55 Ų5570.8 Ų70.821%0.20838%0.375CS..  trans-83.290.2179.1-174.918.6000112.4I239 W242 D243 G248 S252 K253 Y256I239-W250 HydrophobicContact CG2-CH2 4.14Å; I239-W250 HydrophobicContact CG2-CZ3 3.9Å; W242-W250 HydrophobicContact CB-CZ3 4.34Å; W242-W250 AromaticContact CD1-CE3 3.79Å; W242-W250 AromaticContact CD1-CH2 3.76Å; W242-W250 AromaticContact CD1-CZ3 3.42Å; W242-W250 VanDerWaalsContact CD1-CZ3 3.42Å; W242-W250 HydrophobicContact CG-CZ3 4.2Å; D243-W250 HydrophobicContact CB-CE3 4.02Å; D243-W250 HydrophobicContact CB-CZ3 4.44Å; G248-W250 PolarHBondContact O-N 3.36Å; W250-S252 VanDerWaalsContact C-N 3.3Å; W250-S252 PolarHBondContact NE1-OG 2.91Å; W250-S252 PolarHBondContact O-N 3.41Å; W250-K253 HydrophobicContact CB-CB 4.37Å; W250-K253 HydrophobicContact CD2-CB 3.85Å; W250-K253 HydrophobicContact CE3-CB 3.83Å; W250-K253 HydrophobicContact CE3-CG 4.08Å; W250-K253 HydrophobicContact CG-CB 4.1Å; W250-K253 HydrophobicContact CZ3-CB 4.44Å; W250-K253 HydrophobicContact CZ3-CG 4.41Å; W250-K253 VanDerWaalsContact O-CB 3.28Å; W250-K253 WeakPolarHBondContact O-CB 3.28Å; W250-K253 PolarHBondContact O-N 3.43Å; W250-Y256 HydrophobicContact CH2-CD2 4.28Å; W250-Y256 AromaticContact CZ2-CD2 3.53Å; W250-Y256 HydrophobicContact CZ2-CD2 3.53Å; W250-Y256 AromaticContact CZ2-CE2 3.81Å; W250-Y256 HydrophobicContact CZ2-CE2 3.81Å; W250-Y256 HydrophobicContact CZ2-CG 4.36Å
251E71.9Confident84.3Confident67 Ų6771 Ų7131%0.31338%0.377SS..THydrogen-bonded Turntrans-62.2-29.5-173.9-63.1-171.2153.100114.6T249 T350T249-E251 PolarHBondContact O-N 2.93Å; E251-T350 VanDerWaalsContact CD-OG1 3.22Å; E251-T350 PolarHBondContact OE1-N 3.44Å; E251-T350 PolarHBondContact OE1-OG1 3.43Å; E251-T350 WeakPolarHBondContact OE2-CB 3.45Å; E251-T350 VanDerWaalsContact OE2-CG2 3.25Å; E251-T350 WeakPolarHBondContact OE2-CG2 3.33Å; E251-T350 PolarHBondContact OE2-OG1 3.48Å
252S79.1Confident84.6Confident51 Ų5169.6 Ų69.636%0.35737%0.368SS..THydrogen-bonded Turntrans-87.7-2.8-179.457.30000114.8W250 G254 T255 Y256W250-S252 VanDerWaalsContact C-N 3.3Å; W250-S252 PolarHBondContact NE1-OG 2.91Å; W250-S252 PolarHBondContact O-N 3.41Å; S252-G254 VanDerWaalsContact C-N 3.3Å; S252-G254 PolarHBondContact O-N 3.08Å; S252-T255 PolarHBondContact O-N 3.47Å; S252-Y256 VanDerWaalsContact O-CD2 3.24Å; S252-Y256 WeakPolarHBondContact O-CD2 3.39Å; S252-Y256 PolarHBondContact O-N 3.3Å
253K84.3Confident85Confident64 Ų6467.2 Ų67.228%0.27837%0.366SS..Hα-helixtrans-47.7-50.3177.4179.2-165.6-176.3175.50112.3I239 D243 W250 T255 Y256 V257I239-K253 HydrophobicContact CG2-CG 4.46Å; D243-K253 HydrophobicContact CB-CD 4.23Å; D243-K253 VanDerWaalsContact OD2-CE 3.32Å; D243-K253 WeakPolarHBondContact OD2-CE 3.46Å; D243-K253 IonicContact OD2-NZ 3.78Å; D243-K253 PolarHBondContact OD2-NZ 2.78Å; W250-K253 HydrophobicContact CB-CB 4.37Å; W250-K253 HydrophobicContact CD2-CB 3.85Å; W250-K253 HydrophobicContact CE3-CB 3.83Å; W250-K253 HydrophobicContact CE3-CG 4.08Å; W250-K253 HydrophobicContact CG-CB 4.1Å; W250-K253 HydrophobicContact CZ3-CB 4.44Å; W250-K253 HydrophobicContact CZ3-CG 4.41Å; W250-K253 VanDerWaalsContact O-CB 3.28Å; W250-K253 WeakPolarHBondContact O-CB 3.28Å; W250-K253 PolarHBondContact O-N 3.43Å; K253-T255 VanDerWaalsContact C-N 3.25Å; K253-T255 PolarHBondContact O-N 3.27Å; K253-Y256 PolarHBondContact O-N 2.94Å; K253-V257 HydrophobicContact CG-CG2 4.31Å; K253-V257 WeakPolarHBondContact O-CG2 3.49Å; K253-V257 PolarHBondContact O-N 2.88Å
254G83.4Confident85.3Confident39 Ų3967.1 Ų67.140%0.40236%0.364SS..Hα-helixtrans-60.5-33.9-176.600000113.3S252 Y258S252-G254 VanDerWaalsContact C-N 3.3Å; S252-G254 PolarHBondContact O-N 3.08Å; G254-Y258 WeakPolarHBondContact O-CB 3.47Å; G254-Y258 PolarHBondContact O-N 3.26Å
255T85.4Confident85.8Confident45 Ų4564.6 Ų64.628%0.27635%0.35SS..Hα-helixtrans-71.3-43.9177.1-62.80000111.4S252 K253 Y258 Y259 R366S252-T255 PolarHBondContact O-N 3.47Å; K253-T255 VanDerWaalsContact C-N 3.25Å; K253-T255 PolarHBondContact O-N 3.27Å; T255-Y258 PolarHBondContact O-N 3.43Å; T255-Y259 HydrophobicContact CG2-CD2 3.66Å; T255-Y259 HydrophobicContact CG2-CE2 3.48Å; T255-Y259 VanDerWaalsContact CG2-CE2 3.48Å; T255-Y259 WeakPolarHBondContact O-CD2 3.47Å; T255-Y259 PolarHBondContact O-N 2.95Å; T255-R366 PolarHBondContact OG1-NH1 3.24Å
256Y89.9Confident86.3Confident130 Ų13060.9 Ų60.951%0.5133%0.33SS..Hα-helixtrans-63.7-44.9175.8-71.8-72.7000112.4W250 S252 K253 Y258 Y259 T260W250-Y256 HydrophobicContact CH2-CD2 4.28Å; W250-Y256 AromaticContact CZ2-CD2 3.53Å; W250-Y256 HydrophobicContact CZ2-CD2 3.53Å; W250-Y256 AromaticContact CZ2-CE2 3.81Å; W250-Y256 HydrophobicContact CZ2-CE2 3.81Å; W250-Y256 HydrophobicContact CZ2-CG 4.36Å; S252-Y256 VanDerWaalsContact O-CD2 3.24Å; S252-Y256 WeakPolarHBondContact O-CD2 3.39Å; S252-Y256 PolarHBondContact O-N 3.3Å; K253-Y256 PolarHBondContact O-N 2.94Å; Y256-Y258 VanDerWaalsContact C-N 3.31Å; Y256-Y258 PolarHBondContact O-N 3.18Å; Y256-Y259 PolarHBondContact O-N 2.99Å; Y256-T260 WeakPolarHBondContact O-CB 3.33Å; Y256-T260 VanDerWaalsContact O-CG2 3.3Å; Y256-T260 WeakPolarHBondContact O-CG2 3.49Å; Y256-T260 PolarHBondContact O-N 3.12Å; Y256-T260 PolarHBondContact O-OG1 2.94Å
257V90.9Very high86.9Confident34 Ų3458.6 Ų58.621%0.20633%0.325CS..Hα-helixtrans-58.9-44.6175.9175.30000110.5I239 K253 T260 D261I239-V257 HydrophobicContact CG2-CG2 3.7Å; K253-V257 HydrophobicContact CG-CG2 4.31Å; K253-V257 WeakPolarHBondContact O-CG2 3.49Å; K253-V257 PolarHBondContact O-N 2.88Å; V257-T260 WeakPolarHBondContact CA-OG1 3.23Å; V257-T260 PolarHBondContact O-OG1 3.14Å; V257-D261 VanDerWaalsContact O-CB 3.3Å; V257-D261 WeakPolarHBondContact O-CB 3.37Å; V257-D261 VanDerWaalsContact O-CG 3.27Å; V257-D261 PolarHBondContact O-N 3.1Å
258Y91Very high87.8Confident48 Ų4854 Ų5419%0.18829%0.293CS..Hα-helixtrans-60.3-50.2178.1175.4-88.7000113G254 T255 Y256 D261 F262 H312 Y315G254-Y258 WeakPolarHBondContact O-CB 3.47Å; G254-Y258 PolarHBondContact O-N 3.26Å; T255-Y258 PolarHBondContact O-N 3.43Å; Y256-Y258 VanDerWaalsContact C-N 3.31Å; Y256-Y258 PolarHBondContact O-N 3.18Å; Y258-D261 PolarHBondContact O-N 3.03Å; Y258-F262 WeakPolarHBondContact O-CB 3.35Å; Y258-F262 PolarHBondContact O-N 2.9Å; Y258-H312 AromaticContact CE1-ND1 3.78Å; Y258-H312 AromaticContact CZ-ND1 3.9Å; Y258-H312 PolarHBondContact OH-ND1 3.26Å; Y258-H312 VanDerWaalsContact OH-ND1 3.12Å; Y258-Y315 HydrophobicContact CD1-CD2 4.45Å; Y258-Y315 AromaticContact CD1-CE1 3.95Å; Y258-Y315 HydrophobicContact CD1-CE1 3.95Å; Y258-Y315 AromaticContact CD1-CE2 3.67Å; Y258-Y315 HydrophobicContact CD1-CE2 3.67Å; Y258-Y315 AromaticContact CD1-CZ 3.4Å; Y258-Y315 WeakPolarHBondContact CD1-OH 3.21Å; Y258-Y315 HydrophobicContact CD2-CD2 4.19Å; Y258-Y315 AromaticContact CD2-CE2 3.8Å; Y258-Y315 HydrophobicContact CD2-CE2 3.8Å; Y258-Y315 AromaticContact CE1-CD1 3.7Å; Y258-Y315 HydrophobicContact CE1-CD1 3.7Å; Y258-Y315 AromaticContact CE1-CD2 3.93Å; Y258-Y315 HydrophobicContact CE1-CD2 3.93Å; Y258-Y315 AromaticContact CE1-CE1 3.4Å; Y258-Y315 HydrophobicContact CE1-CE1 3.4Å; Y258-Y315 AromaticContact CE1-CE2 3.54Å; Y258-Y315 HydrophobicContact CE1-CE2 3.54Å; Y258-Y315 AromaticContact CE1-CG 3.95Å; Y258-Y315 HydrophobicContact CE1-CG 3.95Å; Y258-Y315 AromaticContact CE1-CZ 3.29Å; Y258-Y315 AromaticContact CE2-CD2 3.6Å; Y258-Y315 HydrophobicContact CE2-CD2 3.6Å; Y258-Y315 AromaticContact CE2-CE2 3.65Å; Y258-Y315 HydrophobicContact CE2-CE2 3.65Å; Y258-Y315 HydrophobicContact CE2-CG 4.1Å; Y258-Y315 AromaticContact CG-CE2 3.81Å; Y258-Y315 HydrophobicContact CG-CE2 3.81Å; Y258-Y315 AromaticContact CG-CZ 3.99Å; Y258-Y315 AromaticContact CZ-CD1 3.72Å; Y258-Y315 AromaticContact CZ-CD2 3.46Å; Y258-Y315 VanDerWaalsContact CZ-CD2 3.46Å; Y258-Y315 AromaticContact CZ-CE1 3.89Å; Y258-Y315 AromaticContact CZ-CE2 3.53Å; Y258-Y315 AromaticContact CZ-CG 3.51Å; Y258-Y315 AromaticContact CZ-CZ 3.77Å; Y258-Y315 WeakPolarHBondContact OH-CB 3.39Å; Y258-Y315 WeakPolarHBondContact OH-CD1 3.23Å; Y258-Y315 VanDerWaalsContact OH-CG 3.23Å
259Y92.1Very high88.8Confident86 Ų8652.5 Ų52.534%0.33727%0.272SS..Hα-helixtrans-68.2-38.7-177.3-80.7-67.7000112.4T255 Y256 F262 I263T255-Y259 HydrophobicContact CG2-CD2 3.66Å; T255-Y259 HydrophobicContact CG2-CE2 3.48Å; T255-Y259 VanDerWaalsContact CG2-CE2 3.48Å; T255-Y259 WeakPolarHBondContact O-CD2 3.47Å; T255-Y259 PolarHBondContact O-N 2.95Å; Y256-Y259 PolarHBondContact O-N 2.99Å; Y259-F262 PolarHBondContact O-N 3.02Å; Y259-I263 WeakPolarHBondContact O-CB 3.45Å; Y259-I263 VanDerWaalsContact O-CG1 3.23Å; Y259-I263 WeakPolarHBondContact O-CG1 3.19Å; Y259-I263 PolarHBondContact O-N 3.47Å
260T93.3Very high90Very high22 Ų2254.3 Ų54.314%0.13527%0.274CS..Hα-helixtrans-66-42.2176.851.80000111.5M235 I239 Y256 V257 M264M235-T260 HydrophobicContact CE-CG2 3.79Å; M235-T260 HydrophobicContact CG-CG2 4Å; M235-T260 HydrophobicContact SD-CG2 3.39Å; M235-T260 WeakPolarHBondContact SD-CG2 3.45Å; I239-T260 HydrophobicContact CD1-CG2 3.92Å; Y256-T260 WeakPolarHBondContact O-CB 3.33Å; Y256-T260 VanDerWaalsContact O-CG2 3.3Å; Y256-T260 WeakPolarHBondContact O-CG2 3.49Å; Y256-T260 PolarHBondContact O-N 3.12Å; Y256-T260 PolarHBondContact O-OG1 2.94Å; V257-T260 WeakPolarHBondContact CA-OG1 3.23Å; V257-T260 PolarHBondContact O-OG1 3.14Å; T260-M264 WeakPolarHBondContact O-CB 3.25Å; T260-M264 WeakPolarHBondContact O-CG 3.49Å; T260-M264 PolarHBondContact O-N 3.44Å; T260-M264 VanDerWaalsContact O-N 3.09Å
261D93.5Very high90.8Very high26 Ų2654.1 Ų54.114%0.13928%0.277CS..Hα-helixtrans-61.9-48.5172.5-75.3-18.5000111.4H232 R236 V257 Y258 E265H232-D261 IonicContact CD2-OD1 3.78Å; H232-D261 IonicContact CE1-OD1 3.66Å; H232-D261 IonicContact NE2-OD1 2.98Å; H232-D261 PolarHBondContact NE2-OD1 3.19Å; R236-D261 WeakPolarHBondContact CD-OD1 3.48Å; R236-D261 WeakPolarHBondContact CG-OD1 3.42Å; R236-D261 IonicContact CZ-OD1 3.93Å; R236-D261 IonicContact CZ-OD2 2.98Å; R236-D261 IonicContact NE-OD1 2.9Å; R236-D261 PolarHBondContact NE-OD1 3.45Å; R236-D261 VanDerWaalsContact NE-OD1 3.15Å; R236-D261 IonicContact NE-OD2 3.01Å; R236-D261 PolarHBondContact NE-OD2 3.4Å; R236-D261 IonicContact NH2-OD2 2.64Å; R236-D261 PolarHBondContact NH2-OD2 3Å; V257-D261 VanDerWaalsContact O-CB 3.3Å; V257-D261 WeakPolarHBondContact O-CB 3.37Å; V257-D261 VanDerWaalsContact O-CG 3.27Å; V257-D261 PolarHBondContact O-N 3.1Å; Y258-D261 PolarHBondContact O-N 3.03Å; D261-E265 WeakPolarHBondContact O-CB 3.2Å; D261-E265 WeakPolarHBondContact O-CG 3.36Å; D261-E265 PolarHBondContact O-N 3.37Å
262F94.5Very high91.9Very high37 Ų3752.4 Ų52.416%0.16227%0.27CS..Hα-helixtrans-59.9-50.2179.8172.2-109.7000112.9Y258 Y259 L266 H312Y258-F262 WeakPolarHBondContact O-CB 3.35Å; Y258-F262 PolarHBondContact O-N 2.9Å; Y259-F262 PolarHBondContact O-N 3.02Å; F262-L266 HydrophobicContact CE1-CD2 4.4Å; F262-L266 HydrophobicContact CE2-CD2 4.5Å; F262-L266 HydrophobicContact CZ-CD2 3.99Å; F262-L266 WeakPolarHBondContact O-CB 3.39Å; F262-L266 PolarHBondContact O-N 2.95Å; F262-H312 HydrophobicContact CD2-CB 4.19Å; F262-H312 AromaticContact CE1-CD2 3.94Å; F262-H312 AromaticContact CE1-CG 3.99Å; F262-H312 HydrophobicContact CE2-CB 3.61Å; F262-H312 AromaticContact CE2-CG 3.85Å; F262-H312 HydrophobicContact CZ-CB 3.85Å; F262-H312 AromaticContact CZ-CD2 3.74Å; F262-H312 AromaticContact CZ-CG 3.66Å
263I95.4Very high92.7Very high103 Ų10351.2 Ų51.253%0.52826%0.259SS..Hα-helixtrans-64.5-46.7-177.3-69.3167.1000110.4Y259 L266 A267Y259-I263 WeakPolarHBondContact O-CB 3.45Å; Y259-I263 VanDerWaalsContact O-CG1 3.23Å; Y259-I263 WeakPolarHBondContact O-CG1 3.19Å; Y259-I263 PolarHBondContact O-N 3.47Å; I263-L266 PolarHBondContact O-N 2.72Å; I263-A267 WeakPolarHBondContact O-CB 3.48Å; I263-A267 PolarHBondContact O-N 3.25Å
264M95.4Very high93.1Very high33 Ų3351.9 Ų51.916%0.16326%0.264CS..Hα-helixtrans-70.7-40.2-177.5-64.7-58.7-76.500112.4V228 H232 M235 T260 A267 M268V228-M264 HydrophobicContact CG1-CE 3.74Å; V228-M264 VanDerWaalsContact O-CE 3.23Å; V228-M264 WeakPolarHBondContact O-CE 3.32Å; H232-M264 HydrophobicContact CB-CB 3.85Å; H232-M264 HydrophobicContact CB-CE 3.9Å; H232-M264 HydrophobicContact CB-CG 4.1Å; H232-M264 VanDerWaalsContact CD2-CB 3.49Å; H232-M264 WeakPolarHBondContact CD2-CB 3.46Å; M235-M264 HydrophobicContact CE-CG 3.2Å; M235-M264 HydrophobicContact CE-SD 3.8Å; T260-M264 WeakPolarHBondContact O-CB 3.25Å; T260-M264 WeakPolarHBondContact O-CG 3.49Å; T260-M264 PolarHBondContact O-N 3.44Å; T260-M264 VanDerWaalsContact O-N 3.09Å; M264-A267 PolarHBondContact O-N 2.86Å; M264-M268 WeakPolarHBondContact O-CG 3.41Å; M264-M268 PolarHBondContact O-N 3.46Å
265E94.6Very high93.6Very high47 Ų4750.6 Ų50.622%0.2225%0.248CC..Hα-helixtrans-63.7-41.7174.1-72.8-178.514500111.7D261 A267 M268 L269 R308D261-E265 WeakPolarHBondContact O-CB 3.2Å; D261-E265 WeakPolarHBondContact O-CG 3.36Å; D261-E265 PolarHBondContact O-N 3.37Å; E265-A267 VanDerWaalsContact C-N 3.35Å; E265-M268 HydrophobicContact CG-CE 4.18Å; E265-M268 PolarHBondContact O-N 2.89Å; E265-L269 WeakPolarHBondContact O-CB 3.33Å; E265-L269 VanDerWaalsContact O-CG 3.3Å; E265-L269 WeakPolarHBondContact O-CG 3.2Å; E265-L269 PolarHBondContact O-N 3.07Å; E265-R308 IonicContact OE1-CZ 3.5Å; E265-R308 IonicContact OE1-NH1 3.1Å; E265-R308 IonicContact OE1-NH2 2.97Å; E265-R308 PolarHBondContact OE1-NH2 2.93Å; E265-R308 IonicContact OE2-CZ 3.46Å; E265-R308 IonicContact OE2-NE 3.37Å; E265-R308 IonicContact OE2-NH1 3.18Å; E265-R308 PolarHBondContact OE2-NH1 3.2Å; E265-R308 IonicContact OE2-NH2 3.81Å; E265-R308 PolarHBondContact OE2-NH2 2.86Å
266L95.8Very high93.9Very high55 Ų5549.3 Ų49.329%0.28824%0.239SC..Hα-helixtrans-64.1-40.6175.1-175.162.9000111.5F262 I263 L269 F270 V305F262-L266 HydrophobicContact CE1-CD2 4.4Å; F262-L266 HydrophobicContact CE2-CD2 4.5Å; F262-L266 HydrophobicContact CZ-CD2 3.99Å; F262-L266 WeakPolarHBondContact O-CB 3.39Å; F262-L266 PolarHBondContact O-N 2.95Å; I263-L266 PolarHBondContact O-N 2.72Å; L266-L269 PolarHBondContact O-N 3.35Å; L266-F270 WeakPolarHBondContact O-CB 3.36Å; L266-F270 PolarHBondContact O-N 2.9Å; L266-V305 HydrophobicContact CD1-CG1 4.43Å
267A95.6Very high94Very high35 Ų3545.8 Ų45.829%0.28923%0.228SC..Hα-helixtrans-63-44.6175.800000112V228 I263 M264 E265 F270 L271V228-A267 HydrophobicContact CG1-CB 4.36Å; I263-A267 WeakPolarHBondContact O-CB 3.48Å; I263-A267 PolarHBondContact O-N 3.25Å; M264-A267 PolarHBondContact O-N 2.86Å; E265-A267 VanDerWaalsContact C-N 3.35Å; A267-F270 PolarHBondContact O-N 3.43Å; A267-L271 WeakPolarHBondContact O-CG 3.4Å; A267-L271 PolarHBondContact O-N 2.66Å
268M95.7Very high94Very high24 Ų2446 Ų4612%0.11823%0.227CC..Hα-helixtrans-61.6-45.9174.8-73.8-175.5-74.200111.7L225 V228 R229 M264 E265 F270 L271 D272L225-M268 HydrophobicContact CD1-CB 4.25Å; L225-M268 HydrophobicContact CD1-CG 4.41Å; V228-M268 HydrophobicContact CB-CG 4.44Å; V228-M268 HydrophobicContact CG1-CG 3.72Å; R229-M268 HydrophobicContact CB-SD 3.89Å; R229-M268 HydrophobicContact CG-SD 4.31Å; M264-M268 WeakPolarHBondContact O-CG 3.41Å; M264-M268 PolarHBondContact O-N 3.46Å; E265-M268 HydrophobicContact CG-CE 4.18Å; E265-M268 PolarHBondContact O-N 2.89Å; M268-F270 VanDerWaalsContact C-N 3.33Å; M268-F270 PolarHBondContact O-N 3.32Å; M268-L271 PolarHBondContact O-N 3.34Å; M268-D272 WeakPolarHBondContact O-CB 3.5Å; M268-D272 PolarHBondContact O-N 2.89Å
269L95.2Very high94Very high26 Ų2644.3 Ų44.314%0.13622%0.22CC..Hα-helixtrans-63.6-38.2177.7-73.3170.9000112.2E265 L266 L273 L301 E304 V305 R308E265-L269 WeakPolarHBondContact O-CB 3.33Å; E265-L269 VanDerWaalsContact O-CG 3.3Å; E265-L269 WeakPolarHBondContact O-CG 3.2Å; E265-L269 PolarHBondContact O-N 3.07Å; L266-L269 PolarHBondContact O-N 3.35Å; L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 PolarHBondContact O-N 3.09Å; L269-L301 HydrophobicContact CD2-CD2 4.18Å; L269-E304 HydrophobicContact CD1-CG 4.23Å; L269-E304 HydrophobicContact CD2-CB 4.44Å; L269-E304 HydrophobicContact CD2-CG 4.09Å; L269-V305 HydrophobicContact CB-CG2 3.77Å; L269-V305 HydrophobicContact CD1-CG2 4.23Å; L269-V305 HydrophobicContact CG-CG2 4.47Å; L269-R308 HydrophobicContact CD1-CG 3.92Å
270F95.3Very high93.8Very high113 Ų11342.1 Ų42.150%0.49621%0.214SC..Hα-helixtrans-67.5-45.6176.7179.8-97.7000111.8L266 A267 M268 D272 L273 M274L266-F270 WeakPolarHBondContact O-CB 3.36Å; L266-F270 PolarHBondContact O-N 2.9Å; A267-F270 PolarHBondContact O-N 3.43Å; M268-F270 VanDerWaalsContact C-N 3.33Å; M268-F270 PolarHBondContact O-N 3.32Å; F270-D272 VanDerWaalsContact C-N 3.32Å; F270-D272 PolarHBondContact O-N 3.07Å; F270-L273 PolarHBondContact O-N 3.5Å; F270-M274 HydrophobicContact CD1-CG 4.01Å; F270-M274 HydrophobicContact CD2-CE 4.48Å; F270-M274 HydrophobicContact CD2-CG 4.42Å; F270-M274 HydrophobicContact CE1-CG 3.57Å; F270-M274 HydrophobicContact CE1-SD 4.34Å; F270-M274 HydrophobicContact CE2-CE 3.87Å; F270-M274 HydrophobicContact CE2-CG 4.02Å; F270-M274 HydrophobicContact CE2-SD 4.13Å; F270-M274 HydrophobicContact CG-CG 4.42Å; F270-M274 HydrophobicContact CZ-CE 4.15Å; F270-M274 HydrophobicContact CZ-CG 3.57Å; F270-M274 HydrophobicContact CZ-SD 3.77Å; F270-M274 WeakPolarHBondContact O-CB 3.41Å; F270-M274 VanDerWaalsContact O-CG 3.26Å; F270-M274 WeakPolarHBondContact O-CG 3.41Å; F270-M274 PolarHBondContact O-N 3.35Å
271L95.5Very high93.5Very high51 Ų5147.5 Ų47.527%0.26724%0.242SC..Hα-helixtrans-59.5-44.1175-74.6172.3000111.4L225 V228 A267 M268 M274 H275L225-L271 HydrophobicContact CD1-CB 4.44Å; V228-L271 HydrophobicContact CB-CD1 4.3Å; V228-L271 HydrophobicContact CG2-CD1 3.72Å; A267-L271 WeakPolarHBondContact O-CG 3.4Å; A267-L271 PolarHBondContact O-N 2.66Å; M268-L271 PolarHBondContact O-N 3.34Å; L271-M274 PolarHBondContact O-N 3.19Å; L271-H275 WeakPolarHBondContact O-CB 3.26Å; L271-H275 PolarHBondContact O-N 3.41Å
272D94.4Very high93Very high32 Ų3251 Ų5117%0.17126%0.256CS..Hα-helixtrans-65.7-41.2178.5-162.126.6000111.8M268 F270 H275 H276 L301M268-D272 WeakPolarHBondContact O-CB 3.5Å; M268-D272 PolarHBondContact O-N 2.89Å; F270-D272 VanDerWaalsContact C-N 3.32Å; F270-D272 PolarHBondContact O-N 3.07Å; D272-H275 PolarHBondContact O-N 3.35Å; D272-H276 PolarHBondContact O-N 2.98Å; D272-H276 PolarHBondContact O-ND1 3.16Å; D272-H276 IonicContact OD1-CE1 2.94Å; D272-H276 PolarHBondContact OD1-CE1 2.9Å; D272-H276 IonicContact OD1-ND1 3.02Å; D272-H276 PolarHBondContact OD1-ND1 3.48Å; D272-H276 IonicContact OD2-CE1 3.98Å; D272-L301 HydrophobicContact CB-CD1 4.29Å; D272-L301 HydrophobicContact CB-CD2 4.43Å; D272-L301 WeakPolarHBondContact OD2-CD1 3.35Å; D272-L301 WeakPolarHBondContact OD2-CD2 3.4Å
273L94.6Very high91.9Very high25 Ų2550.2 Ų50.213%0.13126%0.259CS..Hα-helixtrans-61-48.4173.9179.667.4000111.6L269 F270 H275 H276 I277 L298 L301L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 PolarHBondContact O-N 3.09Å; F270-L273 PolarHBondContact O-N 3.5Å; L273-H275 VanDerWaalsContact C-N 3.33Å; L273-H275 PolarHBondContact O-N 3.36Å; L273-H276 PolarHBondContact O-N 3.49Å; L273-I277 HydrophobicContact CD1-CD1 4.01Å; L273-I277 HydrophobicContact CD1-CG1 4.42Å; L273-I277 HydrophobicContact CG-CD1 3.88Å; L273-I277 WeakPolarHBondContact O-CB 3.21Å; L273-I277 VanDerWaalsContact O-CG1 3.27Å; L273-I277 WeakPolarHBondContact O-CG1 3.35Å; L273-I277 PolarHBondContact O-N 3.15Å; L273-L298 HydrophobicContact CD1-CD1 3.36Å; L273-L301 HydrophobicContact CD1-CB 4.47Å
274M93.5Very high90.6Very high78 Ų7851.4 Ų51.438%0.38427%0.266SS..Hα-helixtrans-61-42.9178.1-72.7-61.5100.900111.4F270 L271 I277 H278F270-M274 HydrophobicContact CD1-CG 4.01Å; F270-M274 HydrophobicContact CD2-CE 4.48Å; F270-M274 HydrophobicContact CD2-CG 4.42Å; F270-M274 HydrophobicContact CE1-CG 3.57Å; F270-M274 HydrophobicContact CE1-SD 4.34Å; F270-M274 HydrophobicContact CE2-CE 3.87Å; F270-M274 HydrophobicContact CE2-CG 4.02Å; F270-M274 HydrophobicContact CE2-SD 4.13Å; F270-M274 HydrophobicContact CG-CG 4.42Å; F270-M274 HydrophobicContact CZ-CE 4.15Å; F270-M274 HydrophobicContact CZ-CG 3.57Å; F270-M274 HydrophobicContact CZ-SD 3.77Å; F270-M274 WeakPolarHBondContact O-CB 3.41Å; F270-M274 VanDerWaalsContact O-CG 3.26Å; F270-M274 WeakPolarHBondContact O-CG 3.41Å; F270-M274 PolarHBondContact O-N 3.35Å; L271-M274 PolarHBondContact O-N 3.19Å; M274-I277 HydrophobicContact CE-CD1 3.88Å; M274-I277 PolarHBondContact O-N 2.92Å; M274-H278 WeakPolarHBondContact O-CB 3.45Å; M274-H278 PolarHBondContact O-N 3.43Å
275H93.7Very high88.9Confident12 Ų1257 Ų576%0.05630%0.295CS..Hα-helixtrans-61.7-46176.3175.5-131.4000112A221 E222 L271 D272 L273 H278 M279A221-H275 HydrophobicContact CB-CB 4.06Å; A221-H275 VanDerWaalsContact CB-CD2 3.4Å; A221-H275 WeakPolarHBondContact CB-CD2 3.26Å; E222-H275 IonicContact OE1-CE1 3.47Å; E222-H275 PolarHBondContact OE1-CE1 3.02Å; E222-H275 IonicContact OE1-ND1 3.86Å; L271-H275 WeakPolarHBondContact O-CB 3.26Å; L271-H275 PolarHBondContact O-N 3.41Å; D272-H275 PolarHBondContact O-N 3.35Å; L273-H275 VanDerWaalsContact C-N 3.33Å; L273-H275 PolarHBondContact O-N 3.36Å; H275-H278 PolarHBondContact O-N 3.39Å; H275-M279 VanDerWaalsContact CE1-CE 3.46Å; H275-M279 WeakPolarHBondContact CE1-CE 3.47Å; H275-M279 WeakPolarHBondContact O-CG 3.39Å; H275-M279 PolarHBondContact O-N 2.96Å
276H92.2Very high87.4Confident19 Ų1965 Ų659%0.08832%0.324CS..Hα-helixtrans-67.9-36.2178.4-75.882.6000113.4D272 L273 M279 L280 Q297 L301D272-H276 PolarHBondContact O-N 2.98Å; D272-H276 PolarHBondContact O-ND1 3.16Å; D272-H276 IonicContact OD1-CE1 2.94Å; D272-H276 PolarHBondContact OD1-CE1 2.9Å; D272-H276 IonicContact OD1-ND1 3.02Å; D272-H276 PolarHBondContact OD1-ND1 3.48Å; D272-H276 IonicContact OD2-CE1 3.98Å; L273-H276 PolarHBondContact O-N 3.49Å; H276-M279 HydrophobicContact CB-CE 4.13Å; H276-M279 WeakPolarHBondContact CD2-CE 3.22Å; H276-M279 PolarHBondContact O-N 3.48Å; H276-L280 WeakPolarHBondContact O-CB 3.41Å; H276-L280 PolarHBondContact O-N 3.4Å; H276-Q297 WeakPolarHBondContact NE2-CG 3.49Å; H276-L301 HydrophobicContact CB-CD1 4.4Å
277I91.9Very high85.9Confident56 Ų5669.8 Ų69.829%0.28735%0.349SS..Hα-helixtrans-64.3-43.2172-70.4170.7000110.1L273 M274 L280 L281 L298L273-I277 HydrophobicContact CD1-CD1 4.01Å; L273-I277 HydrophobicContact CD1-CG1 4.42Å; L273-I277 HydrophobicContact CG-CD1 3.88Å; L273-I277 WeakPolarHBondContact O-CB 3.21Å; L273-I277 VanDerWaalsContact O-CG1 3.27Å; L273-I277 WeakPolarHBondContact O-CG1 3.35Å; L273-I277 PolarHBondContact O-N 3.15Å; M274-I277 HydrophobicContact CE-CD1 3.88Å; M274-I277 PolarHBondContact O-N 2.92Å; I277-L280 PolarHBondContact O-N 3.26Å; I277-L281 HydrophobicContact CG2-CD1 3.86Å; I277-L281 HydrophobicContact CG2-CG 4.28Å; I277-L281 VanDerWaalsContact O-CG 3.31Å; I277-L281 WeakPolarHBondContact O-CG 3.37Å; I277-L281 PolarHBondContact O-N 2.87Å; I277-L298 HydrophobicContact CD1-CD1 4.39Å; I277-L298 HydrophobicContact CG1-CD1 3.77Å
278H91.5Very high85.1Confident39 Ų3970.6 Ų70.618%0.18135%0.352CS..Hα-helixtrans-62.8-43.5177-179.4-107.7000112.2H214 S217 F218 M274 H275 L280 L281 F282H214-H278 AromaticContact ND1-NE2 3.42Å; H214-H278 PolarHBondContact ND1-NE2 3.12Å; S217-H278 PolarHBondContact OG-CE1 3.45Å; F218-H278 AromaticContact CD1-CE1 3.91Å; F218-H278 AromaticContact CD1-ND1 3.56Å; F218-H278 AromaticContact CE1-CE1 3.52Å; F218-H278 AromaticContact CE1-ND1 3.1Å; F218-H278 WeakPolarHBondContact CE1-ND1 3.3Å; F218-H278 AromaticContact CE2-CE1 3.91Å; F218-H278 AromaticContact CZ-CE1 3.53Å; F218-H278 AromaticContact CZ-ND1 3.55Å; M274-H278 WeakPolarHBondContact O-CB 3.45Å; M274-H278 PolarHBondContact O-N 3.43Å; H275-H278 PolarHBondContact O-N 3.39Å; H278-L280 VanDerWaalsContact C-N 3.32Å; H278-L280 PolarHBondContact O-N 2.88Å; H278-L281 PolarHBondContact O-N 2.9Å; H278-F282 WeakPolarHBondContact O-CB 3.32Å; H278-F282 PolarHBondContact O-N 3.5Å; H278-F282 VanDerWaalsContact O-N 3.08Å
279M89.9Confident84.4Confident11 Ų1177.6 Ų77.65%0.05439%0.386CS..Hα-helixtrans-58.7-41172.3-74-172-69.300112.4F132 V136 F218 H275 H276 G283 I294F132-M279 HydrophobicContact CD2-CG 4.25Å; F132-M279 HydrophobicContact CD2-SD 3.44Å; F132-M279 WeakPolarHBondContact CD2-SD 3.28Å; F132-M279 HydrophobicContact CE2-CG 3.99Å; F132-M279 HydrophobicContact CE2-SD 3.71Å; V136-M279 HydrophobicContact CG1-CB 4.2Å; V136-M279 HydrophobicContact CG1-CG 4.35Å; F218-M279 HydrophobicContact CD1-CG 4.13Å; F218-M279 HydrophobicContact CE1-CB 4.32Å; F218-M279 HydrophobicContact CE1-CG 3.56Å; H275-M279 VanDerWaalsContact CE1-CE 3.46Å; H275-M279 WeakPolarHBondContact CE1-CE 3.47Å; H275-M279 WeakPolarHBondContact O-CG 3.39Å; H275-M279 PolarHBondContact O-N 2.96Å; H276-M279 HydrophobicContact CB-CE 4.13Å; H276-M279 WeakPolarHBondContact CD2-CE 3.22Å; H276-M279 PolarHBondContact O-N 3.48Å; M279-G283 WeakPolarHBondContact O-CA 3.46Å; M279-G283 PolarHBondContact O-N 3.21Å; M279-I294 HydrophobicContact CB-CD1 4.41Å
280L88.3Confident83.9Confident40 Ų4076.7 Ų76.721%0.20938%0.383CS..Hα-helixtrans-68.8-40.8178.7-17666.4000112.6H276 I277 H278 I294 F295 L298H276-L280 WeakPolarHBondContact O-CB 3.41Å; H276-L280 PolarHBondContact O-N 3.4Å; I277-L280 PolarHBondContact O-N 3.26Å; H278-L280 VanDerWaalsContact C-N 3.32Å; H278-L280 PolarHBondContact O-N 2.88Å; L280-I294 HydrophobicContact CB-CG2 4.05Å; L280-I294 HydrophobicContact CD1-CG2 4.24Å; L280-F295 HydrophobicContact CD1-CE1 4.27Å; L280-F295 HydrophobicContact CD1-CE2 4Å; L280-F295 HydrophobicContact CD1-CZ 3.84Å; L280-F295 HydrophobicContact CD2-CD1 4.44Å; L280-F295 HydrophobicContact CD2-CE1 3.8Å; L280-F295 HydrophobicContact CD2-CZ 4.07Å; L280-L298 HydrophobicContact CD2-CD2 4.16Å
281L87.1Confident83.4Confident135 Ų13572.2 Ų72.271%0.70737%0.366SS*.Hα-helixtrans-71.1-33.4-178.3-70.1174.6000112.5I277 H278I277-L281 HydrophobicContact CG2-CD1 3.86Å; I277-L281 HydrophobicContact CG2-CG 4.28Å; I277-L281 VanDerWaalsContact O-CG 3.31Å; I277-L281 WeakPolarHBondContact O-CG 3.37Å; I277-L281 PolarHBondContact O-N 2.87Å; H278-L281 PolarHBondContact O-N 2.9Å
282F82.7Confident82.9Confident99 Ų9974.6 Ų74.643%0.43438%0.378SS..Hα-helixtrans-97.7-27-176.9-169.7-96.9000113.8H214 F218 H278 N284H214-F282 HydrophobicContact CB-CD2 4.22Å; H214-F282 HydrophobicContact CB-CE1 4.49Å; H214-F282 HydrophobicContact CB-CE2 3.92Å; H214-F282 HydrophobicContact CB-CZ 4.07Å; H214-F282 AromaticContact CD2-CE2 3.84Å; H214-F282 AromaticContact CE1-CD2 3.82Å; H214-F282 AromaticContact CG-CD2 3.72Å; H214-F282 AromaticContact CG-CE2 3.58Å; H214-F282 AromaticContact ND1-CD2 3.42Å; H214-F282 WeakPolarHBondContact ND1-CD2 3.21Å; H214-F282 AromaticContact ND1-CE2 3.79Å; F218-F282 AromaticContact CE2-CD1 3.66Å; F218-F282 HydrophobicContact CE2-CD1 3.66Å; F218-F282 HydrophobicContact CE2-CE1 4.16Å; F218-F282 HydrophobicContact CE2-CG 4.34Å; F218-F282 HydrophobicContact CZ-CB 4.11Å; F218-F282 AromaticContact CZ-CD1 3.9Å; F218-F282 HydrophobicContact CZ-CD1 3.9Å; F218-F282 HydrophobicContact CZ-CG 4.31Å; H278-F282 WeakPolarHBondContact O-CB 3.32Å; H278-F282 PolarHBondContact O-N 3.5Å; H278-F282 VanDerWaalsContact O-N 3.08Å; F282-N284 PolarHBondContact O-N 3.02Å
283G72Confident82.5Confident22 Ų2274.2 Ų74.223%0.22738%0.377CS..SBendtrans-72.279.6171.900000110.4M279M279-G283 WeakPolarHBondContact O-CA 3.46Å; M279-G283 PolarHBondContact O-N 3.21Å
284N66.8Low82.3Confident127 Ų12773.6 Ų73.668%0.67937%0.374SS*.  trans1.4117.5175-160.72.4000114.9F282 W286F282-N284 PolarHBondContact O-N 3.02Å; N284-W286 PolarHBondContact O-N 3.38Å
285I60.8Low82.1Confident152 Ų15275 Ų7578%0.77938%0.377SS*.SBendtrans-57.3-4.5-165.7-57164.5000115.1L287I285-L287 PolarHBondContact O-N 3.32Å
286W62.3Low81.9Confident215 Ų21576.7 Ų76.781%0.81439%0.386SS*.SBendtrans-63.2125172.7-85.865.6000110.3N284 S288N284-W286 PolarHBondContact O-N 3.38Å; W286-S288 PolarHBondContact O-N 2.9Å
287L65.1Low81.8Confident155 Ų15576.8 Ų76.881%0.81239%0.387SS*.  trans-58.979.4-177.8-66.3167.4000111.7I285I285-L287 PolarHBondContact O-N 3.32Å
288S78.5Confident81.8Confident52 Ų5275.8 Ų75.836%0.36438%0.382SS..  trans-84.7161.6173.574.40000110.1W286 A290 S291W286-S288 PolarHBondContact O-N 2.9Å; S288-A290 PolarHBondContact O-N 2.95Å; S288-A290 VanDerWaalsContact O-N 3.15Å; S288-A290 PolarHBondContact OG-N 3.49Å; S288-S291 PolarHBondContact N-OG 2.76Å; S288-S291 WeakPolarHBondContact O-CB 3.5Å; S288-S291 PolarHBondContact O-N 3.47Å; S288-S291 PolarHBondContact O-OG 3.23Å; S288-S291 PolarHBondContact OG-N 3.23Å
289M81.9Confident81.9Confident170 Ų17081.5 Ų81.584%0.83740%0.402SS*.Hα-helixtrans-55.6-31.1172.8-71.9-64.4-146.500112.3S291 L292 V293M289-S291 VanDerWaalsContact C-N 3.35Å; M289-S291 PolarHBondContact O-N 3.44Å; M289-L292 PolarHBondContact O-N 2.86Å; M289-V293 PolarHBondContact O-N 3.03Å
290A83.2Confident82Confident8 Ų887 Ų877%0.06642%0.423CS..Hα-helixtrans-66.7-34.4176.700000112.5I131 S288 L292 V293 I294I131-A290 HydrophobicContact CG2-CB 3.79Å; S288-A290 PolarHBondContact O-N 2.95Å; S288-A290 VanDerWaalsContact O-N 3.15Å; S288-A290 PolarHBondContact OG-N 3.49Å; A290-L292 VanDerWaalsContact C-N 3.34Å; A290-L292 PolarHBondContact O-N 3.49Å; A290-V293 WeakPolarHBondContact O-CB 3.49Å; A290-V293 PolarHBondContact O-N 3.01Å; A290-I294 WeakPolarHBondContact O-CG1 3.37Å; A290-I294 PolarHBondContact O-N 2.9Å
291S84.6Confident82.2Confident19 Ų1985.2 Ų85.213%0.13341%0.414CS..Hα-helixtrans-62.2-40.4176.370.80000112.2S288 M289 V293 I294 F295S288-S291 PolarHBondContact N-OG 2.76Å; S288-S291 WeakPolarHBondContact O-CB 3.5Å; S288-S291 PolarHBondContact O-N 3.47Å; S288-S291 PolarHBondContact O-OG 3.23Å; S288-S291 PolarHBondContact OG-N 3.23Å; M289-S291 VanDerWaalsContact C-N 3.35Å; M289-S291 PolarHBondContact O-N 3.44Å; S291-V293 VanDerWaalsContact C-N 3.35Å; S291-V293 PolarHBondContact O-N 2.95Å; S291-I294 PolarHBondContact O-N 2.9Å; S291-F295 WeakPolarHBondContact O-CD2 3.38Å; S291-F295 PolarHBondContact O-N 2.98Å
292L85.7Confident82.5Confident101 Ų10184.3 Ų84.353%0.52940%0.404SS..Hα-helixtrans-62.3-43.9177-177.9142.4000111.2M289 A290 F295 M296M289-L292 PolarHBondContact O-N 2.86Å; A290-L292 VanDerWaalsContact C-N 3.34Å; A290-L292 PolarHBondContact O-N 3.49Å; L292-F295 PolarHBondContact O-N 2.63Å; L292-M296 HydrophobicContact CD2-CG 4.4Å; L292-M296 HydrophobicContact CD2-SD 3.68Å; L292-M296 VanDerWaalsContact O-CG 3.29Å; L292-M296 WeakPolarHBondContact O-CG 3.32Å; L292-M296 PolarHBondContact O-N 3.41Å
293V87Confident83.1Confident23 Ų2384.3 Ų84.314%0.13941%0.405CS..Hα-helixtrans-59.5-46.6175.2166.40000111.3I131 M289 A290 S291 M296 Q297 W434I131-V293 HydrophobicContact CD1-CG1 4.03Å; I131-V293 HydrophobicContact CD1-CG2 4.18Å; I131-V293 HydrophobicContact CG2-CG1 4.41Å; M289-V293 PolarHBondContact O-N 3.03Å; A290-V293 WeakPolarHBondContact O-CB 3.49Å; A290-V293 PolarHBondContact O-N 3.01Å; S291-V293 VanDerWaalsContact C-N 3.35Å; S291-V293 PolarHBondContact O-N 2.95Å; V293-M296 PolarHBondContact O-N 3.04Å; V293-Q297 WeakPolarHBondContact O-CB 3.33Å; V293-Q297 PolarHBondContact O-N 3.3Å; V293-W434 HydrophobicContact CB-CH2 3.92Å; V293-W434 HydrophobicContact CB-CZ3 4.18Å; V293-W434 HydrophobicContact CG1-CH2 3.32Å; V293-W434 HydrophobicContact CG1-CZ2 4.37Å; V293-W434 HydrophobicContact CG1-CZ3 3.55Å; V293-W434 HydrophobicContact CG2-CH2 3.73Å; V293-W434 HydrophobicContact CG2-CZ3 4.38Å
294I89.1Confident84.1Confident13 Ų1384.3 Ų84.37%0.06740%0.399CS..Hα-helixtrans-64.7-41.6177.8-66.3161.8000111.3V136 M279 L280 A290 S291 M296 Q297 L298V136-I294 HydrophobicContact CG2-CD1 3.65Å; M279-I294 HydrophobicContact CB-CD1 4.41Å; L280-I294 HydrophobicContact CB-CG2 4.05Å; L280-I294 HydrophobicContact CD1-CG2 4.24Å; A290-I294 WeakPolarHBondContact O-CG1 3.37Å; A290-I294 PolarHBondContact O-N 2.9Å; S291-I294 PolarHBondContact O-N 2.9Å; I294-M296 PolarHBondContact O-N 3.29Å; I294-Q297 PolarHBondContact O-N 2.88Å; I294-L298 VanDerWaalsContact O-CB 3.3Å; I294-L298 WeakPolarHBondContact O-CB 3.46Å; I294-L298 PolarHBondContact O-N 3.46Å
295F90Very high85.4Confident106 Ų10679.3 Ų79.347%0.46537%0.373SS..Hα-helixtrans-62.9-41.7176.4-82.5-62.6000112.6L280 S291 L292 Q297 L298 R299L280-F295 HydrophobicContact CD1-CE1 4.27Å; L280-F295 HydrophobicContact CD1-CE2 4Å; L280-F295 HydrophobicContact CD1-CZ 3.84Å; L280-F295 HydrophobicContact CD2-CD1 4.44Å; L280-F295 HydrophobicContact CD2-CE1 3.8Å; L280-F295 HydrophobicContact CD2-CZ 4.07Å; S291-F295 WeakPolarHBondContact O-CD2 3.38Å; S291-F295 PolarHBondContact O-N 2.98Å; L292-F295 PolarHBondContact O-N 2.63Å; F295-Q297 VanDerWaalsContact C-N 3.32Å; F295-Q297 PolarHBondContact O-N 3.45Å; F295-L298 PolarHBondContact O-N 2.92Å; F295-R299 WeakPolarHBondContact O-CB 3.45Å; F295-R299 PolarHBondContact O-N 3.19Å
296M89.4Confident87Confident49 Ų4975.3 Ų75.324%0.24135%0.351CS..Hα-helixtrans-61.6-43.4175-69.1-176.987.200111.2L292 V293 I294 R299 Y300 P436L292-M296 HydrophobicContact CD2-CG 4.4Å; L292-M296 HydrophobicContact CD2-SD 3.68Å; L292-M296 VanDerWaalsContact O-CG 3.29Å; L292-M296 WeakPolarHBondContact O-CG 3.32Å; L292-M296 PolarHBondContact O-N 3.41Å; V293-M296 PolarHBondContact O-N 3.04Å; I294-M296 PolarHBondContact O-N 3.29Å; M296-R299 PolarHBondContact O-N 3.21Å; M296-Y300 PolarHBondContact O-N 3.06Å; M296-P436 HydrophobicContact CE-CG 3.42Å; M296-P436 VanDerWaalsContact CE-CG 3.42Å
297Q90.6Very high88.4Confident20 Ų2070.6 Ų70.69%0.09333%0.333CS..Hα-helixtrans-65.7-42.9177.3-168.361.921.900111.9Y128 H276 V293 I294 F295 R299 Y300 L301Y128-Q297 PolarHBondContact OH-OE1 2.64Å; Y128-Q297 VanDerWaalsContact OH-OE1 3.13Å; H276-Q297 WeakPolarHBondContact NE2-CG 3.49Å; V293-Q297 WeakPolarHBondContact O-CB 3.33Å; V293-Q297 PolarHBondContact O-N 3.3Å; I294-Q297 PolarHBondContact O-N 2.88Å; F295-Q297 VanDerWaalsContact C-N 3.32Å; F295-Q297 PolarHBondContact O-N 3.45Å; Q297-R299 VanDerWaalsContact C-N 3.35Å; Q297-R299 PolarHBondContact O-N 3.17Å; Q297-Y300 WeakPolarHBondContact O-CB 3.25Å; Q297-Y300 PolarHBondContact O-N 2.99Å; Q297-L301 HydrophobicContact CG-CD1 4.19Å; Q297-L301 HydrophobicContact CG-CG 4.48Å; Q297-L301 WeakPolarHBondContact O-CB 3.5Å; Q297-L301 WeakPolarHBondContact O-CG 3.34Å; Q297-L301 PolarHBondContact O-N 2.68Å
298L91.8Very high89.8Confident36 Ų3666.2 Ų66.219%0.18831%0.306CS..Hα-helixtrans-61.8-43.3177.6-173.563.4000111.4L273 I277 L280 I294 F295 L301 F302L273-L298 HydrophobicContact CD1-CD1 3.36Å; I277-L298 HydrophobicContact CD1-CD1 4.39Å; I277-L298 HydrophobicContact CG1-CD1 3.77Å; L280-L298 HydrophobicContact CD2-CD2 4.16Å; I294-L298 VanDerWaalsContact O-CB 3.3Å; I294-L298 WeakPolarHBondContact O-CB 3.46Å; I294-L298 PolarHBondContact O-N 3.46Å; F295-L298 PolarHBondContact O-N 2.92Å; L298-L301 PolarHBondContact O-N 2.9Å; L298-F302 VanDerWaalsContact O-CB 3.27Å; L298-F302 WeakPolarHBondContact O-CB 3.48Å; L298-F302 PolarHBondContact O-N 3.5Å
299R92.3Very high90.5Very high159 Ų15967.1 Ų67.160%0.631%0.306SS*.Hα-helixtrans-61.1-44.5174.5-173.1-172.57090.71.1111.6F295 M296 Q297 H303F295-R299 WeakPolarHBondContact O-CB 3.45Å; F295-R299 PolarHBondContact O-N 3.19Å; M296-R299 PolarHBondContact O-N 3.21Å; Q297-R299 VanDerWaalsContact C-N 3.35Å; Q297-R299 PolarHBondContact O-N 3.17Å; R299-H303 WeakPolarHBondContact O-CB 3.37Å; R299-H303 PolarHBondContact O-N 2.85Å
300Y92.7Very high91Very high126 Ų12664.9 Ų64.949%0.49429%0.288SS..Hα-helixtrans-60.5-51.7176.6171.4-96.3000111.4M296 Q297 F302 H303 E304M296-Y300 PolarHBondContact O-N 3.06Å; Q297-Y300 WeakPolarHBondContact O-CB 3.25Å; Q297-Y300 PolarHBondContact O-N 2.99Å; Y300-F302 PolarHBondContact O-N 3.19Å; Y300-H303 PolarHBondContact O-N 3.26Å; Y300-E304 PolarHBondContact O-N 2.94Å
301L92.7Very high91.4Very high3 Ų369.3 Ų69.32%0.01630%0.303CS..Hα-helixtrans-61.7-43.8-179.4-70.3174.4000112L269 D272 L273 H276 Q297 L298 H303 E304 V305L269-L301 HydrophobicContact CD2-CD2 4.18Å; D272-L301 HydrophobicContact CB-CD1 4.29Å; D272-L301 HydrophobicContact CB-CD2 4.43Å; D272-L301 WeakPolarHBondContact OD2-CD1 3.35Å; D272-L301 WeakPolarHBondContact OD2-CD2 3.4Å; L273-L301 HydrophobicContact CD1-CB 4.47Å; H276-L301 HydrophobicContact CB-CD1 4.4Å; Q297-L301 HydrophobicContact CG-CD1 4.19Å; Q297-L301 HydrophobicContact CG-CG 4.48Å; Q297-L301 WeakPolarHBondContact O-CB 3.5Å; Q297-L301 WeakPolarHBondContact O-CG 3.34Å; Q297-L301 PolarHBondContact O-N 2.68Å; L298-L301 PolarHBondContact O-N 2.9Å; L301-H303 PolarHBondContact O-N 3.5Å; L301-E304 PolarHBondContact O-N 3.37Å; L301-V305 WeakPolarHBondContact O-CG2 3.45Å; L301-V305 PolarHBondContact O-N 3.46Å
302F93.4Very high91.8Very high115 Ų11570 Ų7050%0.50430%0.304SS..Hα-helixtrans-60.9-45.6176.9-177.2-106.5000111.8L298 Y300 E304 V305 Q306L298-F302 VanDerWaalsContact O-CB 3.27Å; L298-F302 WeakPolarHBondContact O-CB 3.48Å; L298-F302 PolarHBondContact O-N 3.5Å; Y300-F302 PolarHBondContact O-N 3.19Å; F302-E304 VanDerWaalsContact C-N 3.33Å; F302-E304 PolarHBondContact O-N 3.06Å; F302-V305 PolarHBondContact O-N 2.8Å; F302-Q306 HydrophobicContact CD1-CG 4.42Å; F302-Q306 HydrophobicContact CE1-CG 4.19Å; F302-Q306 HydrophobicContact CZ-CG 4.29Å; F302-Q306 WeakPolarHBondContact O-CG 3.28Å; F302-Q306 PolarHBondContact O-N 3.1Å
303H94.2Very high92.1Very high99 Ų9971.8 Ų71.846%0.45831%0.308SS..Hα-helixtrans-64.2-37.9177-174.4-94.6000112.1R299 Y300 L301 Q306 R307R299-H303 WeakPolarHBondContact O-CB 3.37Å; R299-H303 PolarHBondContact O-N 2.85Å; Y300-H303 PolarHBondContact O-N 3.26Å; L301-H303 PolarHBondContact O-N 3.5Å; H303-Q306 PolarHBondContact O-N 3.15Å; H303-R307 VanDerWaalsContact O-CB 3.27Å; H303-R307 WeakPolarHBondContact O-CB 3.44Å; H303-R307 PolarHBondContact O-N 3.27Å
304E93.9Very high92.2Very high23 Ų2373.3 Ų73.311%0.10732%0.315CS..Hα-helixtrans-68.4-41.2177.4-169.656.5-148.600112L269 Y300 L301 F302 Q306 R307 R308L269-E304 HydrophobicContact CD1-CG 4.23Å; L269-E304 HydrophobicContact CD2-CB 4.44Å; L269-E304 HydrophobicContact CD2-CG 4.09Å; Y300-E304 PolarHBondContact O-N 2.94Å; L301-E304 PolarHBondContact O-N 3.37Å; F302-E304 VanDerWaalsContact C-N 3.33Å; F302-E304 PolarHBondContact O-N 3.06Å; E304-Q306 PolarHBondContact O-N 2.78Å; E304-R307 WeakPolarHBondContact O-CB 3.38Å; E304-R307 PolarHBondContact O-N 3.06Å; E304-R307 WeakPolarHBondContact OE2-CD 3.26Å; E304-R307 IonicContact OE2-NH1 2.65Å; E304-R307 PolarHBondContact OE2-NH1 2.62Å; E304-R308 WeakPolarHBondContact O-CG 3.36Å; E304-R308 PolarHBondContact O-N 3.19Å; E304-R308 IonicContact OE1-NE 2.84Å; E304-R308 PolarHBondContact OE1-NE 3.31Å
305V94.2Very high92.1Very high21 Ų2172.9 Ų72.913%0.12731%0.313CS..Hα-helixtrans-58.4-49.6171.71700000110.6L266 L269 L301 F302 R307 R308 I309L266-V305 HydrophobicContact CD1-CG1 4.43Å; L269-V305 HydrophobicContact CB-CG2 3.77Å; L269-V305 HydrophobicContact CD1-CG2 4.23Å; L269-V305 HydrophobicContact CG-CG2 4.47Å; L301-V305 WeakPolarHBondContact O-CG2 3.45Å; L301-V305 PolarHBondContact O-N 3.46Å; F302-V305 PolarHBondContact O-N 2.8Å; V305-R307 VanDerWaalsContact C-N 3.31Å; V305-R307 PolarHBondContact O-N 3.35Å; V305-R308 PolarHBondContact O-N 3.06Å; V305-I309 HydrophobicContact CG1-CD1 3.79Å; V305-I309 HydrophobicContact CG1-CG1 4.48Å; V305-I309 WeakPolarHBondContact O-CG1 3.41Å; V305-I309 PolarHBondContact O-N 3.31Å
306Q94.1Very high92.1Very high68 Ų6870.8 Ų70.832%0.31831%0.306SS..Hα-helixtrans-59.8-42.2177-71.5-172.6-16.200112.1F302 H303 E304 R308 I309 R310F302-Q306 HydrophobicContact CD1-CG 4.42Å; F302-Q306 HydrophobicContact CE1-CG 4.19Å; F302-Q306 HydrophobicContact CZ-CG 4.29Å; F302-Q306 WeakPolarHBondContact O-CG 3.28Å; F302-Q306 PolarHBondContact O-N 3.1Å; H303-Q306 PolarHBondContact O-N 3.15Å; E304-Q306 PolarHBondContact O-N 2.78Å; Q306-R308 VanDerWaalsContact C-N 3.33Å; Q306-R308 PolarHBondContact O-N 3.44Å; Q306-I309 PolarHBondContact O-N 2.92Å; Q306-R310 WeakPolarHBondContact O-CB 3.3Å; Q306-R310 VanDerWaalsContact O-CG 3.32Å; Q306-R310 WeakPolarHBondContact O-CG 3.19Å; Q306-R310 PolarHBondContact O-N 3.34Å
307R92.9Very high92.1Very high117 Ų11775.3 Ų75.344%0.44232%0.321SS..Hα-helixtrans-59.9-44.4176.8-175.8-175.9-175-164.92.3110.8H303 E304 V305 R310 R311H303-R307 VanDerWaalsContact O-CB 3.27Å; H303-R307 WeakPolarHBondContact O-CB 3.44Å; H303-R307 PolarHBondContact O-N 3.27Å; E304-R307 WeakPolarHBondContact O-CB 3.38Å; E304-R307 PolarHBondContact O-N 3.06Å; E304-R307 WeakPolarHBondContact OE2-CD 3.26Å; E304-R307 IonicContact OE2-NH1 2.65Å; E304-R307 PolarHBondContact OE2-NH1 2.62Å; V305-R307 VanDerWaalsContact C-N 3.31Å; V305-R307 PolarHBondContact O-N 3.35Å; R307-R310 PolarHBondContact O-N 2.83Å; R307-R311 WeakPolarHBondContact O-CG 3.42Å; R307-R311 PolarHBondContact O-N 2.89Å
308R93.5Very high91.9Very high63 Ų6375 Ų7524%0.23832%0.32CS..Hα-helixtrans-64.6-44.4177.3-71.5-63.1-178.2150.816112.4E265 L269 E304 V305 Q306 R310 R311 H312E265-R308 IonicContact OE1-CZ 3.5Å; E265-R308 IonicContact OE1-NH1 3.1Å; E265-R308 IonicContact OE1-NH2 2.97Å; E265-R308 PolarHBondContact OE1-NH2 2.93Å; E265-R308 IonicContact OE2-CZ 3.46Å; E265-R308 IonicContact OE2-NE 3.37Å; E265-R308 IonicContact OE2-NH1 3.18Å; E265-R308 PolarHBondContact OE2-NH1 3.2Å; E265-R308 IonicContact OE2-NH2 3.81Å; E265-R308 PolarHBondContact OE2-NH2 2.86Å; L269-R308 HydrophobicContact CD1-CG 3.92Å; E304-R308 WeakPolarHBondContact O-CG 3.36Å; E304-R308 PolarHBondContact O-N 3.19Å; E304-R308 IonicContact OE1-NE 2.84Å; E304-R308 PolarHBondContact OE1-NE 3.31Å; V305-R308 PolarHBondContact O-N 3.06Å; Q306-R308 VanDerWaalsContact C-N 3.33Å; Q306-R308 PolarHBondContact O-N 3.44Å; R308-R310 PolarHBondContact O-N 3.27Å; R308-R311 PolarHBondContact O-N 2.93Å; R308-H312 PolarHBondContact O-N 3.38Å
309I93.5Very high91.7Very high70 Ų7074 Ų7436%0.35932%0.315SS..Hα-helixtrans-63-42.8175.6-65.4169.1000111.2V305 Q306 H312 K313V305-I309 HydrophobicContact CG1-CD1 3.79Å; V305-I309 HydrophobicContact CG1-CG1 4.48Å; V305-I309 WeakPolarHBondContact O-CG1 3.41Å; V305-I309 PolarHBondContact O-N 3.31Å; Q306-I309 PolarHBondContact O-N 2.92Å; I309-H312 PolarHBondContact O-N 3.48Å; I309-K313 HydrophobicContact CG2-CD 4.47Å; I309-K313 WeakPolarHBondContact O-CG 3.37Å; I309-K313 PolarHBondContact O-N 3.32Å
310R92.9Very high91.5Very high124 Ų12471.1 Ų71.147%0.46831%0.311SS..Hα-helixtrans-61.4-43.6177-76.9-170.8-63.6-100.21.3112Q306 R307 R308 K313 N314Q306-R310 WeakPolarHBondContact O-CB 3.3Å; Q306-R310 VanDerWaalsContact O-CG 3.32Å; Q306-R310 WeakPolarHBondContact O-CG 3.19Å; Q306-R310 PolarHBondContact O-N 3.34Å; R307-R310 PolarHBondContact O-N 2.83Å; R308-R310 PolarHBondContact O-N 3.27Å; R310-K313 PolarHBondContact O-N 2.87Å; R310-N314 PolarHBondContact O-N 2.71Å
311R90.7Very high91.2Very high100 Ų10066.9 Ų66.938%0.37730%0.297SS..Hα-helixtrans-60.7-44.1174.9-71.8-169.1-140.8-174.512.6111.7R307 R308 K313 N314 Y315R307-R311 WeakPolarHBondContact O-CG 3.42Å; R307-R311 PolarHBondContact O-N 2.89Å; R308-R311 PolarHBondContact O-N 2.93Å; R311-K313 PolarHBondContact O-N 3.39Å; R311-N314 WeakPolarHBondContact O-CB 3.44Å; R311-N314 PolarHBondContact O-N 3.49Å; R311-N314 VanDerWaalsContact O-N 3.17Å; R311-Y315 WeakPolarHBondContact O-CB 3.47Å; R311-Y315 PolarHBondContact O-N 2.96Å
312H93.3Very high90.9Very high33 Ų3366.8 Ų66.815%0.15330%0.297CS..Hα-helixtrans-63-41.1177.6-17458.4000112.9Y258 F262 R308 I309 N314 Y315 L316Y258-H312 AromaticContact CE1-ND1 3.78Å; Y258-H312 AromaticContact CZ-ND1 3.9Å; Y258-H312 PolarHBondContact OH-ND1 3.26Å; Y258-H312 VanDerWaalsContact OH-ND1 3.12Å; F262-H312 HydrophobicContact CD2-CB 4.19Å; F262-H312 AromaticContact CE1-CD2 3.94Å; F262-H312 AromaticContact CE1-CG 3.99Å; F262-H312 HydrophobicContact CE2-CB 3.61Å; F262-H312 AromaticContact CE2-CG 3.85Å; F262-H312 HydrophobicContact CZ-CB 3.85Å; F262-H312 AromaticContact CZ-CD2 3.74Å; F262-H312 AromaticContact CZ-CG 3.66Å; R308-H312 PolarHBondContact O-N 3.38Å; I309-H312 PolarHBondContact O-N 3.48Å; H312-N314 VanDerWaalsContact C-N 3.33Å; H312-N314 PolarHBondContact O-N 3.24Å; H312-Y315 AromaticContact ND1-CD1 3.96Å; H312-Y315 WeakPolarHBondContact O-CB 3.3Å; H312-Y315 PolarHBondContact O-N 3.4Å; H312-L316 WeakPolarHBondContact O-CG 3.44Å; H312-L316 PolarHBondContact O-N 2.96Å
313K91.7Very high90.5Very high139 Ų13966.5 Ų66.560%0.60430%0.297SS*.Hα-helixtrans-60.8-41.2172.8-73.1-176.8176.9-175.40112.3I309 R310 R311 R317I309-K313 HydrophobicContact CG2-CD 4.47Å; I309-K313 WeakPolarHBondContact O-CG 3.37Å; I309-K313 PolarHBondContact O-N 3.32Å; R310-K313 PolarHBondContact O-N 2.87Å; R311-K313 PolarHBondContact O-N 3.39Å; K313-R317 WeakPolarHBondContact O-CB 3.27Å; K313-R317 PolarHBondContact O-N 3.36Å
314N88.3Confident90.1Very high56 Ų5665.9 Ų65.930%0.29931%0.309SS..Hα-helixtrans-64.4-44.2176.3-169.458.1000111.6R310 R311 H312 L316 R317 V318R310-N314 PolarHBondContact O-N 2.71Å; R311-N314 WeakPolarHBondContact O-CB 3.44Å; R311-N314 PolarHBondContact O-N 3.49Å; R311-N314 VanDerWaalsContact O-N 3.17Å; H312-N314 VanDerWaalsContact C-N 3.33Å; H312-N314 PolarHBondContact O-N 3.24Å; N314-L316 PolarHBondContact O-N 2.88Å; N314-R317 WeakPolarHBondContact O-CB 3.32Å; N314-R317 PolarHBondContact O-N 3.48Å; N314-R317 PolarHBondContact OD1-NH1 3.37Å; N314-V318 WeakPolarHBondContact O-CG2 3.39Å; N314-V318 PolarHBondContact O-N 3.28Å
315Y87.9Confident89.5Confident4 Ų469.5 Ų69.52%0.01632%0.322CS..Hα-helixtrans-56.8-48.8175.4164.2-86.9000112.5Y258 R311 H312 R317 V318 I319 R366Y258-Y315 HydrophobicContact CD1-CD2 4.45Å; Y258-Y315 AromaticContact CD1-CE1 3.95Å; Y258-Y315 HydrophobicContact CD1-CE1 3.95Å; Y258-Y315 AromaticContact CD1-CE2 3.67Å; Y258-Y315 HydrophobicContact CD1-CE2 3.67Å; Y258-Y315 AromaticContact CD1-CZ 3.4Å; Y258-Y315 WeakPolarHBondContact CD1-OH 3.21Å; Y258-Y315 HydrophobicContact CD2-CD2 4.19Å; Y258-Y315 AromaticContact CD2-CE2 3.8Å; Y258-Y315 HydrophobicContact CD2-CE2 3.8Å; Y258-Y315 AromaticContact CE1-CD1 3.7Å; Y258-Y315 HydrophobicContact CE1-CD1 3.7Å; Y258-Y315 AromaticContact CE1-CD2 3.93Å; Y258-Y315 HydrophobicContact CE1-CD2 3.93Å; Y258-Y315 AromaticContact CE1-CE1 3.4Å; Y258-Y315 HydrophobicContact CE1-CE1 3.4Å; Y258-Y315 AromaticContact CE1-CE2 3.54Å; Y258-Y315 HydrophobicContact CE1-CE2 3.54Å; Y258-Y315 AromaticContact CE1-CG 3.95Å; Y258-Y315 HydrophobicContact CE1-CG 3.95Å; Y258-Y315 AromaticContact CE1-CZ 3.29Å; Y258-Y315 AromaticContact CE2-CD2 3.6Å; Y258-Y315 HydrophobicContact CE2-CD2 3.6Å; Y258-Y315 AromaticContact CE2-CE2 3.65Å; Y258-Y315 HydrophobicContact CE2-CE2 3.65Å; Y258-Y315 HydrophobicContact CE2-CG 4.1Å; Y258-Y315 AromaticContact CG-CE2 3.81Å; Y258-Y315 HydrophobicContact CG-CE2 3.81Å; Y258-Y315 AromaticContact CG-CZ 3.99Å; Y258-Y315 AromaticContact CZ-CD1 3.72Å; Y258-Y315 AromaticContact CZ-CD2 3.46Å; Y258-Y315 VanDerWaalsContact CZ-CD2 3.46Å; Y258-Y315 AromaticContact CZ-CE1 3.89Å; Y258-Y315 AromaticContact CZ-CE2 3.53Å; Y258-Y315 AromaticContact CZ-CG 3.51Å; Y258-Y315 AromaticContact CZ-CZ 3.77Å; Y258-Y315 WeakPolarHBondContact OH-CB 3.39Å; Y258-Y315 WeakPolarHBondContact OH-CD1 3.23Å; Y258-Y315 VanDerWaalsContact OH-CG 3.23Å; R311-Y315 WeakPolarHBondContact O-CB 3.47Å; R311-Y315 PolarHBondContact O-N 2.96Å; H312-Y315 AromaticContact ND1-CD1 3.96Å; H312-Y315 WeakPolarHBondContact O-CB 3.3Å; H312-Y315 PolarHBondContact O-N 3.4Å; Y315-R317 VanDerWaalsContact C-N 3.3Å; Y315-R317 PolarHBondContact O-N 3.48Å; Y315-V318 PolarHBondContact O-N 2.92Å; Y315-I319 HydrophobicContact CD1-CD1 3.9Å; Y315-I319 HydrophobicContact CD2-CD1 4.37Å; Y315-I319 HydrophobicContact CE1-CD1 3.29Å; Y315-I319 HydrophobicContact CE1-CG1 4.49Å; Y315-I319 HydrophobicContact CE2-CD1 3.9Å; Y315-I319 HydrophobicContact CG-CD1 4.38Å; Y315-I319 WeakPolarHBondContact O-CG1 3.34Å; Y315-I319 PolarHBondContact O-N 3.29Å; Y315-R366 PolarHBondContact OH-NH1 2.92Å; Y315-R366 VanDerWaalsContact OH-NH1 3.15Å; Y315-R366 PolarHBondContact OH-NH2 2.82Å
316L89.8Confident89Confident62 Ų6269.2 Ų69.233%0.32532%0.319SS..Hα-helixtrans-63.5-38.1177.5-70.1178.7000111.7H312 N314 I319 N320H312-L316 WeakPolarHBondContact O-CG 3.44Å; H312-L316 PolarHBondContact O-N 2.96Å; N314-L316 PolarHBondContact O-N 2.88Å; L316-I319 PolarHBondContact O-N 3.1Å; L316-N320 WeakPolarHBondContact O-CB 3.44Å; L316-N320 VanDerWaalsContact O-CG 3.24Å; L316-N320 PolarHBondContact O-N 2.95Å; L316-N320 PolarHBondContact O-ND2 2.99Å
317R89.3Confident88.3Confident144 Ų14469.3 Ų69.354%0.54333%0.331SS..Hα-helixtrans-60.4-46.4174.6-175.6-163.4-64.4149.4-9111.2K313 N314 Y315 N321K313-R317 WeakPolarHBondContact O-CB 3.27Å; K313-R317 PolarHBondContact O-N 3.36Å; N314-R317 WeakPolarHBondContact O-CB 3.32Å; N314-R317 PolarHBondContact O-N 3.48Å; N314-R317 PolarHBondContact OD1-NH1 3.37Å; Y315-R317 VanDerWaalsContact C-N 3.3Å; Y315-R317 PolarHBondContact O-N 3.48Å; R317-N321 VanDerWaalsContact O-CB 3.28Å; R317-N321 WeakPolarHBondContact O-CB 3.27Å; R317-N321 PolarHBondContact O-N 3.41Å; R317-N321 PolarHBondContact O-ND2 3.32Å
318V87.8Confident87.8Confident14 Ų1468.1 Ų68.19%0.08534%0.336CS..Hα-helixtrans-62.2-44.4178.7171.50000110.7N314 Y315 N321 M322 L369N314-V318 WeakPolarHBondContact O-CG2 3.39Å; N314-V318 PolarHBondContact O-N 3.28Å; Y315-V318 PolarHBondContact O-N 2.92Å; V318-N321 PolarHBondContact O-N 2.86Å; V318-M322 WeakPolarHBondContact O-CB 3.46Å; V318-M322 PolarHBondContact O-N 3.11Å; V318-L369 HydrophobicContact CG1-CB 3.66Å
319I86.5Confident87.1Confident15 Ų1565.7 Ų65.78%0.07733%0.33CS..Hα-helixtrans-61.5-52.4177.7-68.7175.8000111.4Y315 L316 N321 M322 E323 R366Y315-I319 HydrophobicContact CD1-CD1 3.9Å; Y315-I319 HydrophobicContact CD2-CD1 4.37Å; Y315-I319 HydrophobicContact CE1-CD1 3.29Å; Y315-I319 HydrophobicContact CE1-CG1 4.49Å; Y315-I319 HydrophobicContact CE2-CD1 3.9Å; Y315-I319 HydrophobicContact CG-CD1 4.38Å; Y315-I319 WeakPolarHBondContact O-CG1 3.34Å; Y315-I319 PolarHBondContact O-N 3.29Å; L316-I319 PolarHBondContact O-N 3.1Å; I319-N321 VanDerWaalsContact C-N 3.29Å; I319-N321 PolarHBondContact O-N 3.46Å; I319-M322 WeakPolarHBondContact O-CB 3.41Å; I319-M322 PolarHBondContact O-N 3.4Å; I319-M322 VanDerWaalsContact O-N 3.15Å; I319-E323 HydrophobicContact CG2-CG 4.32Å; I319-E323 WeakPolarHBondContact CG2-OE1 3.46Å; I319-E323 WeakPolarHBondContact O-CB 3.26Å; I319-E323 WeakPolarHBondContact O-CG 3.38Å; I319-E323 PolarHBondContact O-N 3.47Å; I319-R366 HydrophobicContact CG1-CG 4.27Å
320N87.7Confident86.4Confident98 Ų9866.1 Ų66.152%0.52434%0.336SS..Hα-helixtrans-60.8-41.3-178.2-70.5-11.2000111.4L316 A324L316-N320 WeakPolarHBondContact O-CB 3.44Å; L316-N320 VanDerWaalsContact O-CG 3.24Å; L316-N320 PolarHBondContact O-N 2.95Å; L316-N320 PolarHBondContact O-ND2 2.99Å; N320-A324 VanDerWaalsContact O-CB 3.27Å; N320-A324 WeakPolarHBondContact O-CB 3.02Å; N320-A324 PolarHBondContact O-N 2.94Å
321N86.9Confident85.5Confident37 Ų3764.2 Ų64.220%0.19835%0.347CS..Hα-helixtrans-67.4-40.9176-84.8-41.6000112.7R317 V318 I319 R325 I384R317-N321 VanDerWaalsContact O-CB 3.28Å; R317-N321 WeakPolarHBondContact O-CB 3.27Å; R317-N321 PolarHBondContact O-N 3.41Å; R317-N321 PolarHBondContact O-ND2 3.32Å; V318-N321 PolarHBondContact O-N 2.86Å; I319-N321 VanDerWaalsContact C-N 3.29Å; I319-N321 PolarHBondContact O-N 3.46Å; N321-R325 VanDerWaalsContact O-CB 3.27Å; N321-R325 WeakPolarHBondContact O-CB 3.26Å; N321-R325 WeakPolarHBondContact O-CD 3.28Å; N321-R325 VanDerWaalsContact O-CG 3.24Å; N321-R325 WeakPolarHBondContact O-CG 3.38Å; N321-R325 PolarHBondContact O-N 2.91Å; N321-R325 VanDerWaalsContact O-N 3.15Å; N321-I384 HydrophobicContact CB-CG2 3.59Å; N321-I384 WeakPolarHBondContact ND2-CG2 3.34Å
322M85.8Confident84.6Confident1 Ų167.2 Ų67.21%0.00537%0.365CS..Hα-helixtrans-57.9-57.5175.3-175.5-176.572.200108.1V318 I319 A324 R325 F326 R352 N362 L365 R366 L369V318-M322 WeakPolarHBondContact O-CB 3.46Å; V318-M322 PolarHBondContact O-N 3.11Å; I319-M322 WeakPolarHBondContact O-CB 3.41Å; I319-M322 PolarHBondContact O-N 3.4Å; I319-M322 VanDerWaalsContact O-N 3.15Å; M322-A324 PolarHBondContact O-N 3.33Å; M322-R325 PolarHBondContact O-N 2.88Å; M322-R325 VanDerWaalsContact O-N 3.16Å; M322-F326 HydrophobicContact CB-CD2 4.42Å; M322-F326 HydrophobicContact CG-CD2 3.88Å; M322-F326 HydrophobicContact CG-CE2 4.43Å; M322-F326 WeakPolarHBondContact O-CD2 3.25Å; M322-F326 PolarHBondContact O-N 3.44Å; M322-R352 PolarHBondContact O-NH1 3.23Å; M322-N362 WeakPolarHBondContact CE-OD1 3.38Å; M322-L365 HydrophobicContact CG-CD2 4.37Å; M322-L365 HydrophobicContact SD-CD2 4.09Å; M322-L365 HydrophobicContact SD-CG 4.24Å; M322-R366 HydrophobicContact CE-CB 4.32Å; M322-R366 HydrophobicContact SD-CB 4.11Å; M322-L369 HydrophobicContact CB-CD1 4.42Å; M322-L369 HydrophobicContact CG-CD1 4.23Å; M322-L369 HydrophobicContact SD-CD1 4.4Å
323E85.8Confident83.5Confident108 Ų10869.2 Ų69.251%0.50537%0.374SS..Hα-helixtrans-54.6-44.5-178.7-75.3179.6-173.400113.6I319I319-E323 HydrophobicContact CG2-CG 4.32Å; I319-E323 WeakPolarHBondContact CG2-OE1 3.46Å; I319-E323 WeakPolarHBondContact O-CB 3.26Å; I319-E323 WeakPolarHBondContact O-CG 3.38Å; I319-E323 PolarHBondContact O-N 3.47Å
324A85Confident83Confident87 Ų8763.6 Ų63.672%0.71935%0.351SS*.Hα-helixtrans-70.3-30.8179.800000114N320 M322N320-A324 VanDerWaalsContact O-CB 3.27Å; N320-A324 WeakPolarHBondContact O-CB 3.02Å; N320-A324 PolarHBondContact O-N 2.94Å; M322-A324 PolarHBondContact O-N 3.33Å
325R81.3Confident82Confident99 Ų9964.7 Ų64.737%0.37437%0.368SS..Hα-helixtrans-102.3-22.7-168.6-66173-178.6-118.34.2114.6N321 M322 N383 I384 G386N321-R325 VanDerWaalsContact O-CB 3.27Å; N321-R325 WeakPolarHBondContact O-CB 3.26Å; N321-R325 WeakPolarHBondContact O-CD 3.28Å; N321-R325 VanDerWaalsContact O-CG 3.24Å; N321-R325 WeakPolarHBondContact O-CG 3.38Å; N321-R325 PolarHBondContact O-N 2.91Å; N321-R325 VanDerWaalsContact O-N 3.15Å; M322-R325 PolarHBondContact O-N 2.88Å; M322-R325 VanDerWaalsContact O-N 3.16Å; R325-N383 PolarHBondContact NH1-O 2.95Å; R325-I384 PolarHBondContact NH2-O 2.91Å; R325-I384 VanDerWaalsContact NH2-O 3.07Å; R325-G386 PolarHBondContact NH2-O 3.39Å
326F84.3Confident81.1Confident14 Ų1468.2 Ų68.26%0.06140%0.398CS..SBendtrans-121.6133.5-175.5-46.5-53.7000110.4M322 R352 P355 L369 L382M322-F326 HydrophobicContact CB-CD2 4.42Å; M322-F326 HydrophobicContact CG-CD2 3.88Å; M322-F326 HydrophobicContact CG-CE2 4.43Å; M322-F326 WeakPolarHBondContact O-CD2 3.25Å; M322-F326 PolarHBondContact O-N 3.44Å; F326-R352 HydrophobicContact CB-CG 3.59Å; F326-R352 VanDerWaalsContact O-CZ 3.31Å; F326-R352 PolarHBondContact O-NH1 2.92Å; F326-P355 HydrophobicContact CD1-CG 4.11Å; F326-P355 VanDerWaalsContact CE1-CD 3.4Å; F326-P355 HydrophobicContact CE1-CG 3.75Å; F326-L369 HydrophobicContact CE2-CD1 4.3Å; F326-L382 HydrophobicContact CZ-CB 4.26Å; F326-L382 HydrophobicContact CZ-CD1 4.08Å; F326-L382 HydrophobicContact CZ-CD2 4.47Å
327A80.4Confident80Confident70 Ų7068 Ų6858%0.57940%0.397SS*.EExtended strand (participates in β ladder)trans-81.5148.4176.200000110.5K353A327-K353 PolarHBondContact O-N 3.46Å; A327-K353 VanDerWaalsContact O-N 3.12Å
328V81.7Confident78.8Confident92 Ų9267 Ų6756%0.55840%0.403SS*.EExtended strand (participates in β ladder)trans-69.4130163.7-176.80000107.1
329A79.2Confident78Confident13 Ų1368.4 Ų68.411%0.10741%0.409CS..PPolyproline II helixtrans-64.6139.5179.600000110A351 L359A329-A351 HydrophobicContact CB-CB 4.4Å; A329-A351 WeakPolarHBondContact CB-O 3.41Å; A329-A351 PolarHBondContact N-O 3.49Å; A329-L359 HydrophobicContact CB-CD2 3.81Å
330T79Confident77.8Confident78 Ų7872.2 Ų72.248%0.47943%0.43SS..PPolyproline II helixtrans-69.5154.1173.458.90000109.8E332 E333 L334T330-E332 PolarHBondContact O-N 2.92Å; T330-E332 VanDerWaalsContact O-N 3.13Å; T330-E333 PolarHBondContact O-N 3.43Å; T330-E333 WeakPolarHBondContact OG1-CG 3.47Å; T330-E333 PolarHBondContact OG1-N 3.4Å; T330-L334 PolarHBondContact O-N 3.27Å
331A73Confident77.7Confident84 Ų8467.6 Ų67.669%0.69441%0.405SS*.Hα-helixtrans-57.2-29.9178.600000112.5A335A331-A335 VanDerWaalsContact O-CB 3.31Å; A331-A335 WeakPolarHBondContact O-CB 3.41Å; A331-A335 PolarHBondContact O-N 2.99Å
332E71.4Confident77.6Confident164 Ų16468.6 Ų68.677%0.76642%0.418SS*.Hα-helixtrans-71.3-41.4175.3-63.1176.9-176.500112.6T330 L334 A336T330-E332 PolarHBondContact O-N 2.92Å; T330-E332 VanDerWaalsContact O-N 3.13Å; E332-L334 VanDerWaalsContact C-N 3.29Å; E332-L334 PolarHBondContact O-N 2.75Å; E332-A336 VanDerWaalsContact O-CB 3.27Å; E332-A336 WeakPolarHBondContact O-CB 3.31Å; E332-A336 PolarHBondContact O-N 2.88Å
333E71.6Confident77.5Confident74 Ų7471.5 Ų71.535%0.34643%0.433SS..Hα-helixtrans-68.6-31.3175.7-75.1-167.1164.100112.3T330 N337 K353T330-E333 PolarHBondContact O-N 3.43Å; T330-E333 WeakPolarHBondContact OG1-CG 3.47Å; T330-E333 PolarHBondContact OG1-N 3.4Å; E333-N337 PolarHBondContact O-N 2.85Å; E333-N337 VanDerWaalsContact O-N 3.15Å; E333-K353 IonicContact OE1-NZ 2.74Å; E333-K353 PolarHBondContact OE1-NZ 3.43Å; E333-K353 WeakPolarHBondContact OE2-CD 3.45Å; E333-K353 IonicContact OE2-NZ 3.15Å; E333-K353 PolarHBondContact OE2-NZ 3.39Å
334L79.6Confident77.4Confident22 Ų2268.6 Ų68.612%0.11542%0.424CS..Hα-helixtrans-73.8-44176.2-167.357.5000111.4T330 E332 A336 N337 D338 M348 L349 A351 L359T330-L334 PolarHBondContact O-N 3.27Å; E332-L334 VanDerWaalsContact C-N 3.29Å; E332-L334 PolarHBondContact O-N 2.75Å; L334-A336 VanDerWaalsContact C-N 3.25Å; L334-A336 PolarHBondContact O-N 3.21Å; L334-N337 CarbonylContact O-C 3.1Å; L334-N337 PolarHBondContact O-N 3.37Å; L334-N337 VanDerWaalsContact O-O 3.06Å; L334-D338 PolarHBondContact O-N 3Å; L334-M348 HydrophobicContact CD1-CB 4.04Å; L334-M348 WeakPolarHBondContact CD2-O 3.44Å; L334-L349 WeakPolarHBondContact CD2-O 3.42Å; L334-A351 HydrophobicContact CD1-CB 3.64Å; L334-L359 HydrophobicContact CD1-CD1 4.46Å
335A69Low77.3Confident78 Ų7874.3 Ų74.365%0.64543%0.428SS*.Hα-helixtrans-64.8-29.717300000112.6A331A331-A335 VanDerWaalsContact O-CB 3.31Å; A331-A335 WeakPolarHBondContact O-CB 3.41Å; A331-A335 PolarHBondContact O-N 2.99Å
336A67.6Low77.3Confident78 Ų7873.8 Ų73.865%0.64543%0.432SS*.Hα-helixtrans-76.7-23.7175.100000113.6E332 L334E332-A336 VanDerWaalsContact O-CB 3.27Å; E332-A336 WeakPolarHBondContact O-CB 3.31Å; E332-A336 PolarHBondContact O-N 2.88Å; L334-A336 VanDerWaalsContact C-N 3.25Å; L334-A336 PolarHBondContact O-N 3.21Å
337N67.3Low77.1Confident59 Ų5977.2 Ų77.232%0.31645%0.454SS..SBendtrans-116.869.3172.1-78.3-85.4000109.1E333 L334 D339 L359E333-N337 PolarHBondContact O-N 2.85Å; E333-N337 VanDerWaalsContact O-N 3.15Å; L334-N337 CarbonylContact O-C 3.1Å; L334-N337 PolarHBondContact O-N 3.37Å; L334-N337 VanDerWaalsContact O-O 3.06Å; N337-D339 PolarHBondContact O-N 3.34Å; N337-L359 HydrophobicContact CB-CD1 3.54Å
338D64.8Low77.1Confident123 Ų12374.7 Ų74.766%0.65843%0.431SS*.  trans-66.662.8175.9-168.539.6000111.6L334 A551L334-D338 PolarHBondContact O-N 3Å; D338-A551 WeakPolarHBondContact O-CB 3.36Å
339D69.5Low76.8Confident42 Ų4276 Ų7623%0.22543%0.434CS..  trans-111.5141.3-178.1-84.4-46.5000110.4N337 M348 A551 R554N337-D339 PolarHBondContact O-N 3.34Å; D339-M348 HydrophobicContact CB-CE 4.35Å; D339-M348 WeakPolarHBondContact O-CE 3.47Å; D339-A551 WeakPolarHBondContact OD1-CB 3.46Å; D339-R554 IonicContact OD1-CZ 2.64Å; D339-R554 IonicContact OD1-NH2 2.81Å; D339-R554 PolarHBondContact OD1-NH2 3.48Å; D339-R554 IonicContact OD2-CZ 3.46Å; D339-R554 IonicContact OD2-NH2 3.69Å; D339-R554 PolarHBondContact OD2-NH2 3.42Å
340D82.3Confident76.7Confident96 Ų9678.2 Ų78.251%0.51345%0.447SS..BIsolated β-bridgetrans-72.1149.7167-64.9-38.3000110.3A342 T347D340-A342 PolarHBondContact O-N 2.86Å; D340-T347 WeakPolarHBondContact OD1-CA 3.47Å; D340-T347 WeakPolarHBondContact OD1-CG2 3.46Å; D340-T347 PolarHBondContact OD1-N 3.45Å
341C85.3Confident77Confident0 Ų074.7 Ų74.70%043%0.425CS..  trans-63.9122.8177.3-177.30000110.3I343 C344 W345 D346 M348 H361C341-I343 PolarHBondContact O-N 3.39Å; C341-C344 PolarHBondContact O-N 2.93Å; C341-W345 WeakPolarHBondContact O-CA 3.26Å; C341-W345 PolarHBondContact O-N 2.98Å; C341-D346 PolarHBondContact N-O 3.25Å; C341-M348 HydrophobicContact CB-CG 3.76Å; C341-M348 HydrophobicContact CB-SD 3.85Å; C341-H361 VanDerWaalsContact CB-CE1 3.42Å; C341-H361 WeakPolarHBondContact CB-CE1 3.49Å; C341-H361 WeakPolarHBondContact CB-ND1 3.41Å
342A84.9Confident77.6Confident58 Ų5871.3 Ų71.348%0.47939%0.394SS..THydrogen-bonded Turntrans-64.7-10.1-178.300000114.7D340 W345 F360D340-A342 PolarHBondContact O-N 2.86Å; A342-W345 PolarHBondContact O-NE1 3.49Å; A342-F360 HydrophobicContact CB-CE1 4.19Å
343I84.9Confident78.4Confident62 Ų6267.1 Ų67.132%0.31837%0.373SS..THydrogen-bonded Turntrans-90.2-48.8179.5-59169.8000111.5C341 F360 C364 W368 P376C341-I343 PolarHBondContact O-N 3.39Å; I343-F360 HydrophobicContact CD1-CB 4.41Å; I343-F360 HydrophobicContact CD1-CD1 3.74Å; I343-F360 HydrophobicContact CD1-CE1 4.35Å; I343-F360 HydrophobicContact CD1-CG 4.23Å; I343-F360 HydrophobicContact CG1-CD1 3.93Å; I343-F360 HydrophobicContact CG1-CE1 4.29Å; I343-C364 HydrophobicContact CB-CB 3.88Å; I343-C364 HydrophobicContact CD1-CB 3.65Å; I343-C364 HydrophobicContact CG1-CB 4.35Å; I343-C364 HydrophobicContact CG2-CB 3.91Å; I343-W368 HydrophobicContact CD1-CB 4.45Å; I343-P376 HydrophobicContact CD1-CB 4.44Å; I343-P376 HydrophobicContact CD1-CG 3.91Å; I343-P376 HydrophobicContact CG1-CB 4.33Å; I343-P376 HydrophobicContact CG1-CG 4.34Å
344C82.6Confident79.2Confident47 Ų4763.8 Ų63.832%0.31836%0.358SS..THydrogen-bonded Turntrans-106.8-11.9-177.966.60000114.6C341 D346 H361C341-C344 PolarHBondContact O-N 2.93Å; C344-D346 PolarHBondContact O-N 3.4Å; C344-H361 PolarHBondContact SG-CE1 2.96Å; C344-H361 PolarHBondContact SG-ND1 3.35Å
345W82.6Confident79.4Confident207 Ų20767.8 Ų67.878%0.78439%0.385SS*.  trans61.426.1-176.3-51.3-16.7000114.3C341 A342C341-W345 WeakPolarHBondContact O-CA 3.26Å; C341-W345 PolarHBondContact O-N 2.98Å; A342-W345 PolarHBondContact O-NE1 3.49Å
346D81.5Confident80.1Confident88 Ų8866.3 Ų66.347%0.47137%0.37SS..  trans-105.3155.2172.4-62-47.8000111.4C341 C344 H361C341-D346 PolarHBondContact N-O 3.25Å; C344-D346 PolarHBondContact O-N 3.4Å; D346-H361 PolarHBondContact O-CE1 2.95Å
347T81.2Confident80.9Confident86 Ų8664.3 Ų64.353%0.52836%0.357SS..BIsolated β-bridgetrans-60138.1175.855.70000111.4D340 H361D340-T347 WeakPolarHBondContact OD1-CA 3.47Å; D340-T347 WeakPolarHBondContact OD1-CG2 3.46Å; D340-T347 PolarHBondContact OD1-N 3.45Å; T347-H361 PolarHBondContact O-NE2 3.39Å
348M80Confident81.8Confident18 Ų1864.4 Ų64.49%0.08936%0.355CS..  trans-92.8117.7-179.5-66-176.1-78.500111.5L334 D339 C341 A351 L359 F360 H361L334-M348 HydrophobicContact CD1-CB 4.04Å; L334-M348 WeakPolarHBondContact CD2-O 3.44Å; D339-M348 HydrophobicContact CB-CE 4.35Å; D339-M348 WeakPolarHBondContact O-CE 3.47Å; C341-M348 HydrophobicContact CB-CG 3.76Å; C341-M348 HydrophobicContact CB-SD 3.85Å; M348-A351 HydrophobicContact CB-CB 4.33Å; M348-A351 HydrophobicContact SD-CB 3.97Å; M348-L359 HydrophobicContact CE-CB 4.01Å; M348-L359 HydrophobicContact SD-CB 4.35Å; M348-F360 VanDerWaalsContact SD-CA 3.56Å; M348-H361 WeakPolarHBondContact CA-NE2 3.42Å
349L74.4Confident82.9Confident120 Ų12059.5 Ų59.563%0.62833%0.329SS*.SBendtrans-91.8-37.7169.5-63.5176.4000111.3L334L334-L349 WeakPolarHBondContact CD2-O 3.42Å
350T78.9Confident83.8Confident59 Ų5957.5 Ų57.536%0.36232%0.318SS..SBendtrans-122.8131.4165.674.30000110.8E251E251-T350 VanDerWaalsContact CD-OG1 3.22Å; E251-T350 PolarHBondContact OE1-N 3.44Å; E251-T350 PolarHBondContact OE1-OG1 3.43Å; E251-T350 WeakPolarHBondContact OE2-CB 3.45Å; E251-T350 VanDerWaalsContact OE2-CG2 3.25Å; E251-T350 WeakPolarHBondContact OE2-CG2 3.33Å; E251-T350 PolarHBondContact OE2-OG1 3.48Å
351A83.9Confident84Confident3 Ų353.6 Ų53.63%0.02530%0.297CS..  trans-131.3151.6179.500000111.6A329 L334 M348 L359 F360A329-A351 HydrophobicContact CB-CB 4.4Å; A329-A351 WeakPolarHBondContact CB-O 3.41Å; A329-A351 PolarHBondContact N-O 3.49Å; L334-A351 HydrophobicContact CD1-CB 3.64Å; M348-A351 HydrophobicContact CB-CB 4.33Å; M348-A351 HydrophobicContact SD-CB 3.97Å; A351-L359 HydrophobicContact CB-CB 4.15Å; A351-L359 HydrophobicContact CB-CD2 4.25Å; A351-F360 WeakPolarHBondContact CA-O 3.37Å
352R86.4Confident83.9Confident13 Ų1356.2 Ų56.25%0.04931%0.311CS..EExtended strand (participates in β ladder)trans-111.8131.3173.4-176.1172-87-94.4-9.4109.1M322 F326 F360 L365M322-R352 PolarHBondContact O-NH1 3.23Å; F326-R352 HydrophobicContact CB-CG 3.59Å; F326-R352 VanDerWaalsContact O-CZ 3.31Å; F326-R352 PolarHBondContact O-NH1 2.92Å; R352-F360 PolarHBondContact N-O 2.88Å; R352-F360 PolarHBondContact O-N 3.05Å; R352-L365 HydrophobicContact CB-CD2 4.23Å; R352-L365 HydrophobicContact CG-CD2 4.11Å
353K87.2Confident83.8Confident76 Ų7655.7 Ų55.733%0.3330%0.304SS..EExtended strand (participates in β ladder)trans-94.8121.7-175.8-171.1177.2-175174.40110.9A327 E333 L359A327-K353 PolarHBondContact O-N 3.46Å; A327-K353 VanDerWaalsContact O-N 3.12Å; E333-K353 IonicContact OE1-NZ 2.74Å; E333-K353 PolarHBondContact OE1-NZ 3.43Å; E333-K353 WeakPolarHBondContact OE2-CD 3.45Å; E333-K353 IonicContact OE2-NZ 3.15Å; E333-K353 PolarHBondContact OE2-NZ 3.39Å; K353-L359 HydrophobicContact CB-CD2 3.67Å; K353-L359 HydrophobicContact CG-CD2 3.96Å
354L88.3Confident83.8Confident4 Ų453.7 Ų53.72%0.02130%0.295CS..  trans-79.5161.6173.4-82.166.5000110.7C356 G357 H358 F360 L365 C375 L382L354-C356 VanDerWaalsContact CB-SG 3.6Å; L354-C356 PolarHBondContact O-N 3.48Å; L354-C356 VanDerWaalsContact O-N 3.15Å; L354-G357 WeakPolarHBondContact O-CA 3.37Å; L354-G357 PolarHBondContact O-N 3Å; L354-H358 PolarHBondContact N-O 2.98Å; L354-F360 HydrophobicContact CD1-CD2 3.78Å; L354-F360 HydrophobicContact CD1-CE2 4.05Å; L354-F360 HydrophobicContact CD2-CE2 4.11Å; L354-L365 HydrophobicContact CD1-CD1 3.92Å; L354-L365 HydrophobicContact CD1-CD2 3.56Å; L354-L365 HydrophobicContact CD1-CG 4.4Å; L354-L365 HydrophobicContact CD2-CD1 4.33Å; L354-C375 HydrophobicContact CD2-CB 3.83Å; L354-L382 HydrophobicContact CD2-CD1 3.46Å; L354-L382 VanDerWaalsContact CD2-CD1 3.46Å; L354-L382 HydrophobicContact CD2-CD2 4.11Å; L354-L382 HydrophobicContact CD2-CG 4.36Å; L354-L382 HydrophobicContact CG-CD1 4.1Å; L354-L382 HydrophobicContact CG-CD2 4.48Å
355P83.9Confident84.1Confident106 Ų10651.5 Ų51.569%0.68828%0.28SS*.THydrogen-bonded Turntrans-61.2-25.1178-22.434.3000113.4F326 G357F326-P355 HydrophobicContact CD1-CG 4.11Å; F326-P355 VanDerWaalsContact CE1-CD 3.4Å; F326-P355 HydrophobicContact CE1-CG 3.75Å; P355-G357 PolarHBondContact O-N 3.32Å
356C85.3Confident84.2Confident47 Ų4742.9 Ų42.932%0.31825%0.247SC..THydrogen-bonded Turntrans-77.2-4.9173.558.50000113.9L354 H358 C375 C378L354-C356 VanDerWaalsContact CB-SG 3.6Å; L354-C356 PolarHBondContact O-N 3.48Å; L354-C356 VanDerWaalsContact O-N 3.15Å; C356-H358 PolarHBondContact SG-ND1 2.93Å; C356-H358 VanDerWaalsContact SG-ND1 3.36Å; C356-C375 PolarHBondContact SG-SG 2.84Å; C356-C378 VanDerWaalsContact SG-SG 3.66Å
357G82.6Confident84.3Confident36 Ų3642.6 Ų42.637%0.37125%0.252SS..SBendtrans93-7.9177.100000115.9L354 P355L354-G357 WeakPolarHBondContact O-CA 3.37Å; L354-G357 PolarHBondContact O-N 3Å; P355-G357 PolarHBondContact O-N 3.32Å
358H87.2Confident84.7Confident61 Ų6143.2 Ų43.228%0.28225%0.245SC..  trans-74.5145.9178-61.5105.9000112.5L354 C356 F360 C375 T377L354-H358 PolarHBondContact N-O 2.98Å; C356-H358 PolarHBondContact SG-ND1 2.93Å; C356-H358 VanDerWaalsContact SG-ND1 3.36Å; H358-F360 HydrophobicContact CB-CE2 3.6Å; H358-F360 HydrophobicContact CB-CZ 3.84Å; H358-C375 PolarHBondContact ND1-SG 3.41Å; H358-T377 WeakPolarHBondContact NE2-CG2 3.33Å
359L87.4Confident85Confident20 Ų2042.6 Ų42.611%0.10524%0.242CC..EExtended strand (participates in β ladder)trans-113.9137.4-176.7-64.3168.9000110.4A329 L334 N337 M348 A351 K353A329-L359 HydrophobicContact CB-CD2 3.81Å; L334-L359 HydrophobicContact CD1-CD1 4.46Å; N337-L359 HydrophobicContact CB-CD1 3.54Å; M348-L359 HydrophobicContact CE-CB 4.01Å; M348-L359 HydrophobicContact SD-CB 4.35Å; A351-L359 HydrophobicContact CB-CB 4.15Å; A351-L359 HydrophobicContact CB-CD2 4.25Å; K353-L359 HydrophobicContact CB-CD2 3.67Å; K353-L359 HydrophobicContact CG-CD2 3.96Å
360F88.2Confident85.4Confident1 Ų140.7 Ų40.70%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-146156.2176.3-53.4-84.6000110.7A342 I343 M348 A351 R352 L354 H358 L365 P376 T377A342-F360 HydrophobicContact CB-CE1 4.19Å; I343-F360 HydrophobicContact CD1-CB 4.41Å; I343-F360 HydrophobicContact CD1-CD1 3.74Å; I343-F360 HydrophobicContact CD1-CE1 4.35Å; I343-F360 HydrophobicContact CD1-CG 4.23Å; I343-F360 HydrophobicContact CG1-CD1 3.93Å; I343-F360 HydrophobicContact CG1-CE1 4.29Å; M348-F360 VanDerWaalsContact SD-CA 3.56Å; A351-F360 WeakPolarHBondContact CA-O 3.37Å; R352-F360 PolarHBondContact N-O 2.88Å; R352-F360 PolarHBondContact O-N 3.05Å; L354-F360 HydrophobicContact CD1-CD2 3.78Å; L354-F360 HydrophobicContact CD1-CE2 4.05Å; L354-F360 HydrophobicContact CD2-CE2 4.11Å; H358-F360 HydrophobicContact CB-CE2 3.6Å; H358-F360 HydrophobicContact CB-CZ 3.84Å; F360-L365 HydrophobicContact CB-CB 4.12Å; F360-L365 HydrophobicContact CD2-CD1 4.22Å; F360-P376 HydrophobicContact CD1-CG 4.34Å; F360-P376 HydrophobicContact CE1-CB 3.85Å; F360-P376 HydrophobicContact CE1-CG 3.82Å; F360-P376 HydrophobicContact CE2-CG 4.12Å; F360-P376 HydrophobicContact CZ-CB 3.88Å; F360-P376 HydrophobicContact CZ-CG 3.7Å; F360-T377 VanDerWaalsContact CZ-OG1 3.29Å; F360-T377 WeakPolarHBondContact CZ-OG1 3.34Å
361H86.5Confident85.6Confident14 Ų1446.1 Ų46.17%0.06525%0.251CS..  trans-57.1146.8167.2-60.3107.5000110.5C341 C344 D346 T347 M348 S363 C364 L365C341-H361 VanDerWaalsContact CB-CE1 3.42Å; C341-H361 WeakPolarHBondContact CB-CE1 3.49Å; C341-H361 WeakPolarHBondContact CB-ND1 3.41Å; C344-H361 PolarHBondContact SG-CE1 2.96Å; C344-H361 PolarHBondContact SG-ND1 3.35Å; D346-H361 PolarHBondContact O-CE1 2.95Å; T347-H361 PolarHBondContact O-NE2 3.39Å; M348-H361 WeakPolarHBondContact CA-NE2 3.42Å; H361-S363 VanDerWaalsContact C-N 3.3Å; H361-S363 PolarHBondContact O-N 3.18Å; H361-C364 HydrophobicContact CB-CB 4.1Å; H361-C364 PolarHBondContact O-N 2.92Å; H361-L365 WeakPolarHBondContact O-CB 3.46Å; H361-L365 PolarHBondContact O-N 2.95Å
362N84.4Confident85.6Confident54 Ų5449.5 Ų49.529%0.28927%0.269SS..Hα-helixtrans-57.6-43.2178.8-170.8-75000112.2M322 R366M322-N362 WeakPolarHBondContact CE-OD1 3.38Å; N362-R366 WeakPolarHBondContact O-CB 3.44Å; N362-R366 PolarHBondContact O-N 2.98Å
363S81.9Confident85.6Confident48 Ų4851.8 Ų51.834%0.33629%0.285SS..Hα-helixtrans-65.2-46.4178.952.70000112.5H361 R366 S367H361-S363 VanDerWaalsContact C-N 3.3Å; H361-S363 PolarHBondContact O-N 3.18Å; S363-R366 PolarHBondContact O-N 3.07Å; S363-S367 PolarHBondContact O-N 3.26Å
364C85.9Confident85.7Confident20 Ų2048.8 Ų48.814%0.13527%0.273CS..Hα-helixtrans-64.7-47.7179.6-64.50000111.8I343 H361 R366 S367 W368I343-C364 HydrophobicContact CB-CB 3.88Å; I343-C364 HydrophobicContact CD1-CB 3.65Å; I343-C364 HydrophobicContact CG1-CB 4.35Å; I343-C364 HydrophobicContact CG2-CB 3.91Å; H361-C364 HydrophobicContact CB-CB 4.1Å; H361-C364 PolarHBondContact O-N 2.92Å; C364-R366 VanDerWaalsContact C-N 3.33Å; C364-R366 PolarHBondContact O-N 2.77Å; C364-S367 PolarHBondContact O-N 3.26Å; C364-W368 PolarHBondContact O-N 3.08Å
365L88.2Confident85.7Confident0 Ų048.6 Ų48.60%027%0.272CS..Hα-helixtrans-61.5-43.4177.3-178.961.8000111.5M322 R352 L354 F360 H361 S367 W368 L369M322-L365 HydrophobicContact CG-CD2 4.37Å; M322-L365 HydrophobicContact SD-CD2 4.09Å; M322-L365 HydrophobicContact SD-CG 4.24Å; R352-L365 HydrophobicContact CB-CD2 4.23Å; R352-L365 HydrophobicContact CG-CD2 4.11Å; L354-L365 HydrophobicContact CD1-CD1 3.92Å; L354-L365 HydrophobicContact CD1-CD2 3.56Å; L354-L365 HydrophobicContact CD1-CG 4.4Å; L354-L365 HydrophobicContact CD2-CD1 4.33Å; F360-L365 HydrophobicContact CB-CB 4.12Å; F360-L365 HydrophobicContact CD2-CD1 4.22Å; H361-L365 WeakPolarHBondContact O-CB 3.46Å; H361-L365 PolarHBondContact O-N 2.95Å; L365-S367 PolarHBondContact O-N 3.27Å; L365-W368 WeakPolarHBondContact O-CB 3.47Å; L365-W368 PolarHBondContact O-N 3.42Å; L365-L369 HydrophobicContact CD1-CD1 4.13Å; L365-L369 HydrophobicContact CD1-CG 4.08Å; L365-L369 HydrophobicContact CD2-CD1 4.46Å; L365-L369 HydrophobicContact CG-CD1 3.92Å; L365-L369 HydrophobicContact CG-CG 4.26Å; L365-L369 WeakPolarHBondContact O-CG 3.2Å; L365-L369 PolarHBondContact O-N 3.4Å
366R85.4Confident85.9Confident27 Ų2744.9 Ų44.910%0.10225%0.248CC..Hα-helixtrans-61-44.4178.2175.3177.9148.7-158.1-36.8112.1T255 Y315 I319 M322 N362 S363 C364 W368 L369 E370T255-R366 PolarHBondContact OG1-NH1 3.24Å; Y315-R366 PolarHBondContact OH-NH1 2.92Å; Y315-R366 VanDerWaalsContact OH-NH1 3.15Å; Y315-R366 PolarHBondContact OH-NH2 2.82Å; I319-R366 HydrophobicContact CG1-CG 4.27Å; M322-R366 HydrophobicContact CE-CB 4.32Å; M322-R366 HydrophobicContact SD-CB 4.11Å; N362-R366 WeakPolarHBondContact O-CB 3.44Å; N362-R366 PolarHBondContact O-N 2.98Å; S363-R366 PolarHBondContact O-N 3.07Å; C364-R366 VanDerWaalsContact C-N 3.33Å; C364-R366 PolarHBondContact O-N 2.77Å; R366-W368 VanDerWaalsContact C-N 3.28Å; R366-W368 PolarHBondContact O-N 3.22Å; R366-L369 PolarHBondContact O-N 3.03Å; R366-E370 PolarHBondContact O-N 2.98Å
367S83.8Confident85.9Confident82 Ų8246.1 Ų46.157%0.57325%0.254SS*.Hα-helixtrans-62.9-36.3176.7-171.10000112.1S363 C364 L365S363-S367 PolarHBondContact O-N 3.26Å; C364-S367 PolarHBondContact O-N 3.26Å; L365-S367 PolarHBondContact O-N 3.27Å
368W88Confident86.1Confident98 Ų9846.9 Ų46.937%0.37125%0.253SS..Hα-helixtrans-68.1-48.1176.1-177.8-92000112I343 C364 L365 R366 E370 Q371 D372 S374 P376I343-W368 HydrophobicContact CD1-CB 4.45Å; C364-W368 PolarHBondContact O-N 3.08Å; L365-W368 WeakPolarHBondContact O-CB 3.47Å; L365-W368 PolarHBondContact O-N 3.42Å; R366-W368 VanDerWaalsContact C-N 3.28Å; R366-W368 PolarHBondContact O-N 3.22Å; W368-E370 PolarHBondContact O-N 3.06Å; W368-Q371 PolarHBondContact O-N 3Å; W368-D372 PolarHBondContact O-N 3.32Å; W368-S374 VanDerWaalsContact CD1-O 3.26Å; W368-S374 PolarHBondContact NE1-O 3.38Å; W368-P376 HydrophobicContact CB-CG 4.44Å; W368-P376 HydrophobicContact CD2-CB 4.26Å; W368-P376 HydrophobicContact CD2-CG 3.98Å; W368-P376 HydrophobicContact CG-CG 3.79Å; W368-P376 HydrophobicContact CZ2-CB 4.47Å
369L87.9Confident86.1Confident5 Ų554.1 Ų54.13%0.02628%0.278CS..Hα-helixtrans-65.6-19.4-178.9-68178.4000114.1V318 M322 F326 L365 R366 Q371 D372 L382 I384V318-L369 HydrophobicContact CG1-CB 3.66Å; M322-L369 HydrophobicContact CB-CD1 4.42Å; M322-L369 HydrophobicContact CG-CD1 4.23Å; M322-L369 HydrophobicContact SD-CD1 4.4Å; F326-L369 HydrophobicContact CE2-CD1 4.3Å; L365-L369 HydrophobicContact CD1-CD1 4.13Å; L365-L369 HydrophobicContact CD1-CG 4.08Å; L365-L369 HydrophobicContact CD2-CD1 4.46Å; L365-L369 HydrophobicContact CG-CD1 3.92Å; L365-L369 HydrophobicContact CG-CG 4.26Å; L365-L369 WeakPolarHBondContact O-CG 3.2Å; L365-L369 PolarHBondContact O-N 3.4Å; R366-L369 PolarHBondContact O-N 3.03Å; L369-Q371 VanDerWaalsContact C-N 3.26Å; L369-D372 WeakPolarHBondContact CA-O 3.21Å; L369-L382 HydrophobicContact CD2-CD1 3.97Å; L369-I384 HydrophobicContact CD1-CD1 4.28Å; L369-I384 HydrophobicContact CD2-CD1 3.89Å
370E82.4Confident86Confident80 Ų8056.7 Ų56.737%0.37429%0.294SS..Hα-helixtrans-67.9-28.7170.8-170.9168.9-173.200112R366 W368R366-E370 PolarHBondContact O-N 2.98Å; W368-E370 PolarHBondContact O-N 3.06Å
371Q82.8Confident85.8Confident173 Ų17361 Ų6181%0.80833%0.325SS*.Hα-helixtrans-99.6-42.8-178.8-170.964.732.200112.7W368 L369W368-Q371 PolarHBondContact O-N 3Å; L369-Q371 VanDerWaalsContact C-N 3.26Å
372D84.1Confident85.5Confident75 Ų7560.9 Ų60.940%0.40133%0.325SS..  trans-144.7127.3-175.7-167.2-43.2000111.4W368 L369 S374W368-D372 PolarHBondContact O-N 3.32Å; L369-D372 WeakPolarHBondContact CA-O 3.21Å; D372-S374 PolarHBondContact O-N 2.94Å; D372-S374 WeakPolarHBondContact OD1-CB 3.36Å; D372-S374 PolarHBondContact OD1-N 2.94Å; D372-S374 VanDerWaalsContact OD1-N 3.09Å; D372-S374 PolarHBondContact OD1-OG 3.21Å
373T86.3Confident84.7Confident61 Ų6163.6 Ų63.637%0.37434%0.339SS..SBendtrans-84.448.417858.60000112.6L382 I384T373-L382 PolarHBondContact O-N 3.12Å; T373-I384 HydrophobicContact CG2-CD1 4.04Å
374S89Confident83.8Confident12 Ų1262 Ų628%0.08433%0.326CS..BIsolated β-bridgetrans-131159.9177.7640000111.5W368 D372 T380W368-S374 VanDerWaalsContact CD1-O 3.26Å; W368-S374 PolarHBondContact NE1-O 3.38Å; D372-S374 PolarHBondContact O-N 2.94Å; D372-S374 WeakPolarHBondContact OD1-CB 3.36Å; D372-S374 PolarHBondContact OD1-N 2.94Å; D372-S374 VanDerWaalsContact OD1-N 3.09Å; D372-S374 PolarHBondContact OD1-OG 3.21Å; S374-T380 WeakPolarHBondContact CA-O 3.06Å
375C87.8Confident82.3Confident0 Ų067.4 Ų67.40%035%0.354CS..  trans-68.1127.9173178.90000110.7L354 C356 H358 T377 C378 R379 T380L354-C375 HydrophobicContact CD2-CB 3.83Å; C356-C375 PolarHBondContact SG-SG 2.84Å; H358-C375 PolarHBondContact ND1-SG 3.41Å; C375-T377 VanDerWaalsContact C-N 3.26Å; C375-T377 PolarHBondContact O-N 2.99Å; C375-C378 WeakPolarHBondContact CB-SG 3.41Å; C375-C378 PolarHBondContact SG-SG 3.36Å; C375-R379 WeakPolarHBondContact O-CA 3.37Å; C375-R379 PolarHBondContact O-N 3.43Å; C375-T380 PolarHBondContact N-O 2.83Å
376P88.4Confident80.2Confident28 Ų2868.7 Ų68.718%0.18237%0.367CS..THydrogen-bonded Turntrans-55.5-37.5178.6-22.327.1000114.1I343 F360 W368I343-P376 HydrophobicContact CD1-CB 4.44Å; I343-P376 HydrophobicContact CD1-CG 3.91Å; I343-P376 HydrophobicContact CG1-CB 4.33Å; I343-P376 HydrophobicContact CG1-CG 4.34Å; F360-P376 HydrophobicContact CD1-CG 4.34Å; F360-P376 HydrophobicContact CE1-CB 3.85Å; F360-P376 HydrophobicContact CE1-CG 3.82Å; F360-P376 HydrophobicContact CE2-CG 4.12Å; F360-P376 HydrophobicContact CZ-CB 3.88Å; F360-P376 HydrophobicContact CZ-CG 3.7Å; W368-P376 HydrophobicContact CB-CG 4.44Å; W368-P376 HydrophobicContact CD2-CB 4.26Å; W368-P376 HydrophobicContact CD2-CG 3.98Å; W368-P376 HydrophobicContact CG-CG 3.79Å; W368-P376 HydrophobicContact CZ2-CB 4.47Å
377T86.6Confident78.1Confident74 Ų7475.4 Ų75.445%0.45441%0.405SS..THydrogen-bonded Turntrans-82.4-53.4-177.3-48.80000113.2H358 F360 C375H358-T377 WeakPolarHBondContact NE2-CG2 3.33Å; F360-T377 VanDerWaalsContact CZ-OG1 3.29Å; F360-T377 WeakPolarHBondContact CZ-OG1 3.34Å; C375-T377 VanDerWaalsContact C-N 3.26Å; C375-T377 PolarHBondContact O-N 2.99Å
378C87.1Confident76.1Confident52 Ų5275.5 Ų75.535%0.35142%0.419SS..THydrogen-bonded Turntrans-103.7-1.4-172.564.40000115C356 C375 T380C356-C378 VanDerWaalsContact SG-SG 3.66Å; C375-C378 WeakPolarHBondContact CB-SG 3.41Å; C375-C378 PolarHBondContact SG-SG 3.36Å; C378-T380 PolarHBondContact O-N 3.22Å; C378-T380 PolarHBondContact SG-OG1 3.48Å
379R86.4Confident73.3Confident213 Ų21375.1 Ų75.180%0.80444%0.437SS*.  trans56.710.4-178.5-56.6-176.6178.2-171.4-1.5115.4C375 S381C375-R379 WeakPolarHBondContact O-CA 3.37Å; C375-R379 PolarHBondContact O-N 3.43Å; R379-S381 PolarHBondContact O-N 2.88Å
380T85.6Confident70.9Confident73 Ų7381.2 Ų81.245%0.44848%0.477SS..  trans-59127.9173.2-55.10000109.2S374 C375 C378 L382S374-T380 WeakPolarHBondContact CA-O 3.06Å; C375-T380 PolarHBondContact N-O 2.83Å; C378-T380 PolarHBondContact O-N 3.22Å; C378-T380 PolarHBondContact SG-OG1 3.48Å; T380-L382 PolarHBondContact O-N 3.42Å
381S84Confident68.7Low93 Ų9381.5 Ų81.565%0.6550%0.501SS*.BIsolated β-bridgetrans-65.3127177.556.40000109.8R379 N383R379-S381 PolarHBondContact O-N 2.88Å; S381-N383 PolarHBondContact O-N 3.46Å
382L78.9Confident66Low11 Ų1177.2 Ų77.26%0.05850%0.503CS..  trans-94.896.7173.3-55.5171.4000103.7F326 L354 L369 T373 T380 I384F326-L382 HydrophobicContact CZ-CB 4.26Å; F326-L382 HydrophobicContact CZ-CD1 4.08Å; F326-L382 HydrophobicContact CZ-CD2 4.47Å; L354-L382 HydrophobicContact CD2-CD1 3.46Å; L354-L382 VanDerWaalsContact CD2-CD1 3.46Å; L354-L382 HydrophobicContact CD2-CD2 4.11Å; L354-L382 HydrophobicContact CD2-CG 4.36Å; L354-L382 HydrophobicContact CG-CD1 4.1Å; L354-L382 HydrophobicContact CG-CD2 4.48Å; L369-L382 HydrophobicContact CD2-CD1 3.97Å; T373-L382 PolarHBondContact O-N 3.12Å; T380-L382 PolarHBondContact O-N 3.42Å; L382-I384 HydrophobicContact CB-CD1 4.15Å; L382-I384 HydrophobicContact CB-CG1 4.24Å; L382-I384 WeakPolarHBondContact O-CG1 3.36Å; L382-I384 PolarHBondContact O-N 2.88Å
383N68.2Low63.4Low111 Ų11181 Ų8159%0.59452%0.523SS*.  trans-64.878.9-176.8-178.811.4000110.6R325 S381 N385 G386R325-N383 PolarHBondContact NH1-O 2.95Å; S381-N383 PolarHBondContact O-N 3.46Å; N383-N385 PolarHBondContact O-N 2.86Å; N383-N385 PolarHBondContact OD1-N 3.5Å; N383-G386 PolarHBondContact OD1-N 3.31Å
384I63.3Low60.7Low13 Ų1385.8 Ų85.87%0.06754%0.542CS..THydrogen-bonded Turntrans-77.9-9.7-177.1-71.6163000111.2N321 R325 L369 T373 L382N321-I384 HydrophobicContact CB-CG2 3.59Å; N321-I384 WeakPolarHBondContact ND2-CG2 3.34Å; R325-I384 PolarHBondContact NH2-O 2.91Å; R325-I384 VanDerWaalsContact NH2-O 3.07Å; L369-I384 HydrophobicContact CD1-CD1 4.28Å; L369-I384 HydrophobicContact CD2-CD1 3.89Å; T373-I384 HydrophobicContact CG2-CD1 4.04Å; L382-I384 HydrophobicContact CB-CD1 4.15Å; L382-I384 HydrophobicContact CB-CG1 4.24Å; L382-I384 WeakPolarHBondContact O-CG1 3.36Å; L382-I384 PolarHBondContact O-N 2.88Å
385N54Low57.7Low135 Ų13592.5 Ų92.572%0.72257%0.572SS**THydrogen-bonded Turntrans-101.1-1-174.2-65.7-7.1000114.5N383N383-N385 PolarHBondContact O-N 2.86Å; N383-N385 PolarHBondContact OD1-N 3.5Å
386G45Very low54.7Low26 Ų26101.4 Ų101.427%0.26861%0.613SS.*SBendtrans-93.5118.7176.400000112R325 N383R325-G386 PolarHBondContact NH2-O 3.39Å; N383-G386 PolarHBondContact OD1-N 3.31Å
387D40.7Very low51.7Low168 Ų168103.7 Ų103.790%0.89864%0.642SS**PPolyproline II helixtrans-51.2138.7160.6-72.8-48000109.8A389D387-A389 PolarHBondContact O-N 3.45Å
388G42.3Very low49.3Very low84 Ų84106.8 Ų106.887%0.86666%0.663SS**PPolyproline II helixtrans-66.3118.6-175.600000112.4
389A28.8Very low46.3Very low91 Ų91107.6 Ų107.675%0.75268%0.68SS**  trans-148.9125.7152.200000109.1D387D387-A389 PolarHBondContact O-N 3.45Å
390P37.1Very low43.6Very low133 Ų133105.1 Ų105.186%0.86468%0.682SS**  trans-85133.5176.231.8-28000110.9
391G35.7Very low40.8Very low86 Ų86109 Ų10989%0.88770%0.695SS**  trans58.9113151.300000119.2
392G27.8Very low38.1Very low82 Ų82111.9 Ų111.985%0.84570%0.704SS**  trans-172115.8164.100000112.7
393N29.4Very low35.7Very low154 Ų154117.1 Ų117.182%0.82473%0.731SS**  trans-83.7162.7177.7-154.111000110.7
394Q28.2Very low33.8Very low163 Ų163119.9 Ų119.976%0.76274%0.744SS**  trans84.1153.7172.6-60.5174.716.200117.2
395Q26.3Very low32.1Very low153 Ų153122.5 Ų122.572%0.71578%0.775SS**  cis166.7123.2-24.5-144.9155.812.900104.2
396Q26Very low31Very low187 Ų187121.9 Ų121.987%0.87478%0.778SS**  trans61.2138.1153.9-69.9166.8200122.4
397G23.8Very low30.1Very low75 Ų75127.8 Ų127.877%0.77381%0.809SS**  trans-81.6-142.6-175.300000115.9
398P37.3Very low29.3Very low140 Ų140123.2 Ų123.291%0.90980%0.801SS**  cis-140.7-179.9840.8-20.9000117
399G24.5Very low28.4Very low69 Ų69124.5 Ų124.571%0.71180%0.804SS**  trans124.1128.6133.300000121.9
400L29.1Very low28.2Very low161 Ų161124.9 Ų124.984%0.84381%0.806SS**  trans118.584.8158.4-66.4166.9000113.8
401E27.3Very low27.8Very low153 Ų153124.7 Ų124.772%0.71581%0.805SS**  62.5117.972.8-64.4-178.2114.500113.2
402D26.2Very low27.5Very low155 Ų155129.7 Ų129.783%0.82981%0.806SS**  -149123.581.9-73.9-40.5000112.6
403N29Very low27.5Very low120 Ų120130.7 Ų130.764%0.64281%0.806SS**  78.7112.876.9-101-66.1000117.1
404I28.9Very low27.3Very low169 Ų169134.5 Ų134.587%0.86781%0.809SS**  174.1122.5117.2-79.4150000109.4
405G27Very low27.4Very low68 Ų68132.2 Ų132.270%0.70181%0.808SS**  trans-87.8-146.8-166.500000117.8
406P31.2Very low27.6Very low123 Ų123134.6 Ų134.680%0.79982%0.819SS**  cis-1301437.137.9-19.1000117.8
407V25.1Very low27.9Very low150 Ų150131.9 Ų131.991%0.90981%0.809SS**  42.9120.4127.8-169.50000121.2
408G23.6Very low28.3Very low71 Ų71134.7 Ų134.773%0.73281%0.806SS**  trans167.896.414900000116.6
409A25Very low28.2Very low112 Ų112136.3 Ų136.393%0.92680%0.802SS**  trans73.8133.7158.700000120.6
410A25Very low28.8Very low98 Ų98140.5 Ų140.581%0.8180%0.802SS**  trans-68.9154.4-168.800000115.9
411P28.7Very low29.2Very low130 Ų130137 Ų13784%0.84478%0.784SS**  trans-104119.4162.333.6-21.4000111.5
412E27.3Very low29.9Very low190 Ų190137.8 Ų137.889%0.88879%0.788SS**  trans-66.1150.9153.2-77.7179.3145.100110.2
413A28.6Very low30.3Very low103 Ų103135.9 Ų135.985%0.85177%0.772SS**  trans-51.5131-175.100000114.1
414R26.4Very low30.9Very low235 Ų235136.9 Ų136.989%0.88777%0.771SS**  trans-115124.6162.4-79-174.5171.4173.5-1.9109.9
415P28.9Very low31.4Very low115 Ų115133.7 Ų133.775%0.74775%0.753SS**  trans-73.513716629.8-29000109.4I417P415-I417 PolarHBondContact O-N 2.9Å; P415-I417 VanDerWaalsContact O-N 3.12Å
416H30.3Very low31.9Very low202 Ų202137.1 Ų137.194%0.93575%0.748SS**  trans-60.9109.4177.1-93-94.8000110.9
417I32.5Very low32.4Very low131 Ų131136.9 Ų136.967%0.67274%0.74SS**  trans-92.1122.9164.8-81.1171.7000108.3P415 Q419P415-I417 PolarHBondContact O-N 2.9Å; P415-I417 VanDerWaalsContact O-N 3.12Å; I417-Q419 PolarHBondContact O-N 2.92Å
418N31.7Very low33.3Very low134 Ų134130.9 Ų130.972%0.71771%0.709SS**  trans-60.4108.4173.2-98.6-24.2000110.6H420N418-H420 PolarHBondContact O-N 3.43Å; N418-H420 PolarHBondContact O-ND1 3.45Å
419Q35.5Very low34.5Very low173 Ų173130.2 Ų130.281%0.80869%0.693SS**  trans-77101.4171.2-167.3166.912.700108.9I417 N421I417-Q419 PolarHBondContact O-N 2.92Å; Q419-N421 PolarHBondContact O-N 3.48Å
420H37.8Very low35.7Very low158 Ų158135 Ų13573%0.73169%0.687SS**  trans-80.9102.2174-74.980.6000109.5N418N418-H420 PolarHBondContact O-N 3.43Å; N418-H420 PolarHBondContact O-ND1 3.45Å
421N36.3Very low36.5Very low86 Ų86133.4 Ų133.446%0.4666%0.664SS.*  trans-70.7132.1166.1-71.6-9.2000108.8Q419 F423 E441Q419-N421 PolarHBondContact O-N 3.48Å; N421-F423 HydrophobicContact CB-CD2 4.45Å; N421-F423 PolarHBondContact O-N 3Å; N421-E441 PolarHBondContact ND2-OE1 3.21Å
422H41.9Very low37.3Very low171 Ų171128 Ų12879%0.79263%0.63SS**  trans-66101.2172.5-92-70.2000110
423F36.4Very low38.2Very low115 Ų115123.8 Ų123.850%0.50462%0.622SS.*  trans-83.8118.1173.9-106.9-123.2000109.7N421 H425 S439N421-F423 HydrophobicContact CB-CD2 4.45Å; N421-F423 PolarHBondContact O-N 3Å; F423-H425 PolarHBondContact O-N 3.42Å; F423-S439 WeakPolarHBondContact CE1-OG 3.49Å
424F40.3Very low39.1Very low141 Ų141120.9 Ų120.962%0.61859%0.589SS**EExtended strand (participates in β ladder)trans-77101.2160.1-72.8-79.8000108.2F426F424-F426 PolarHBondContact O-N 3.23Å
425H39.5Very low39.8Very low102 Ų102113.8 Ų113.847%0.47257%0.568SS.*EExtended strand (participates in β ladder)trans-80.2101.7172.3-160.6-100.5000109F423 D427F423-H425 PolarHBondContact O-N 3.42Å; H425-D427 VanDerWaalsContact CE1-CG 3.43Å; H425-D427 IonicContact CE1-OD1 3.39Å; H425-D427 PolarHBondContact CE1-OD1 2.94Å; H425-D427 IonicContact CE1-OD2 3.15Å; H425-D427 VanDerWaalsContact ND1-CG 3.32Å; H425-D427 IonicContact ND1-OD1 3.95Å; H425-D427 IonicContact ND1-OD2 3.53Å; H425-D427 PolarHBondContact ND1-OD2 2.94Å; H425-D427 VanDerWaalsContact ND1-OD2 3.1Å; H425-D427 PolarHBondContact O-N 3.37Å
426F37.7Very low40.2Very low139 Ų139111.1 Ų111.161%0.6155%0.551SS**EExtended strand (participates in β ladder)trans-82.492162.5-100.1-93.8000107.7F424 G428 F438F424-F426 PolarHBondContact O-N 3.23Å; F426-G428 PolarHBondContact O-N 3.41Å; F426-F438 HydrophobicContact CB-CZ 4.42Å
427D41.9Very low40.7Very low119 Ų119104.7 Ų104.764%0.63653%0.529SS*.  trans-58.8124.4162.5-93.5-54.6000108H425 S429H425-D427 VanDerWaalsContact CE1-CG 3.43Å; H425-D427 IonicContact CE1-OD1 3.39Å; H425-D427 PolarHBondContact CE1-OD1 2.94Å; H425-D427 IonicContact CE1-OD2 3.15Å; H425-D427 VanDerWaalsContact ND1-CG 3.32Å; H425-D427 IonicContact ND1-OD1 3.95Å; H425-D427 IonicContact ND1-OD2 3.53Å; H425-D427 PolarHBondContact ND1-OD2 2.94Å; H425-D427 VanDerWaalsContact ND1-OD2 3.1Å; H425-D427 PolarHBondContact O-N 3.37Å; D427-S429 PolarHBondContact O-N 3.3Å
428G44.3Very low40.9Very low24 Ų24104.7 Ų104.725%0.24752%0.524CS..  trans-46.7122.3164.500000107.3F426F426-G428 PolarHBondContact O-N 3.41Å
429S47.7Very low41.3Very low56 Ų56100.5 Ų100.539%0.39251%0.506SS..  trans-40.4148.1-173.358.50000111.9D427 I431 A432D427-S429 PolarHBondContact O-N 3.3Å; S429-I431 PolarHBondContact O-N 2.93Å; S429-A432 PolarHBondContact O-N 3.47Å
430R50.4Low41.4Very low213 Ų21396.1 Ų96.180%0.80449%0.491SS*.THydrogen-bonded Turntrans-39.8-15-178-62.7-179.7-159.9-145.61.1117.3
431I41.4Very low41.4Very low64 Ų6493.1 Ų93.133%0.32848%0.477SS..THydrogen-bonded Turntrans-101.6-11.4-176.3-40.6177.2000112.5L3 W123 N124 S429L3-I431 HydrophobicContact CD1-CD1 4.38Å; L3-I431 HydrophobicContact CD2-CD1 3.64Å; W123-I431 HydrophobicContact CB-CG2 3.66Å; W123-I431 HydrophobicContact CG-CG2 4.18Å; N124-I431 PolarHBondContact OD1-O 3.41Å; S429-I431 PolarHBondContact O-N 2.93Å
432A45.5Very low41.4Very low17 Ų1793.7 Ų93.714%0.1448%0.483CS..  trans-139.172.1-177.600000111.7S429 W434 L435S429-A432 PolarHBondContact O-N 3.47Å; A432-W434 PolarHBondContact O-N 3.36Å; A432-L435 HydrophobicContact CB-CD1 3.93Å; A432-L435 HydrophobicContact CB-CG 4.25Å; A432-L435 PolarHBondContact O-N 2.87Å
433S48Very low41.1Very low102 Ų10292 Ų9271%0.71348%0.477SS*.THydrogen-bonded Turntrans-69.42.5-177.7610000115.4
434W47.2Very low41.1Very low41 Ų4194.1 Ų94.116%0.15549%0.489CS..THydrogen-bonded Turntrans-112.2-6.5-174.765.4-72.3000112.6F127 Y128 V293 A432F127-W434 HydrophobicContact CD1-CZ2 4.25Å; F127-W434 HydrophobicContact CE1-CH2 4.22Å; F127-W434 AromaticContact CE1-CZ2 3.38Å; F127-W434 HydrophobicContact CE1-CZ2 3.38Å; F127-W434 HydrophobicContact CZ-CZ2 4.08Å; Y128-W434 HydrophobicContact CE1-CD2 4.17Å; Y128-W434 HydrophobicContact CE1-CE3 4.22Å; Y128-W434 HydrophobicContact CE1-CH2 4.47Å; Y128-W434 HydrophobicContact CE1-CZ2 4.42Å; Y128-W434 HydrophobicContact CE1-CZ3 4.36Å; Y128-W434 AromaticContact CZ-CD2 3.81Å; Y128-W434 AromaticContact CZ-CE2 3.99Å; Y128-W434 AromaticContact CZ-CG 3.98Å; Y128-W434 WeakPolarHBondContact OH-CB 3.15Å; V293-W434 HydrophobicContact CB-CH2 3.92Å; V293-W434 HydrophobicContact CB-CZ3 4.18Å; V293-W434 HydrophobicContact CG1-CH2 3.32Å; V293-W434 HydrophobicContact CG1-CZ2 4.37Å; V293-W434 HydrophobicContact CG1-CZ3 3.55Å; V293-W434 HydrophobicContact CG2-CH2 3.73Å; V293-W434 HydrophobicContact CG2-CZ3 4.38Å; A432-W434 PolarHBondContact O-N 3.36Å
435L41.1Very low40.7Very low86 Ų8693.6 Ų93.645%0.4550%0.497SS..SBendtrans-63.3129.7165-74.6169.9000108A432 S437A432-L435 HydrophobicContact CB-CD1 3.93Å; A432-L435 HydrophobicContact CB-CG 4.25Å; A432-L435 PolarHBondContact O-N 2.87Å; L435-S437 PolarHBondContact O-N 3.41Å
436P36Very low40.8Very low59 Ų5993.3 Ų93.338%0.38350%0.503SS..  trans-58127.1173.721.7-28.5000107.6M296 F438M296-P436 HydrophobicContact CE-CG 3.42Å; M296-P436 VanDerWaalsContact CE-CG 3.42Å; P436-F438 PolarHBondContact O-N 3.37Å
437S40.9Very low41Very low68 Ų6892.9 Ų92.948%0.47651%0.506SS..  trans-56.310516652.40000106.7L435L435-S437 PolarHBondContact O-N 3.41Å
438F37.7Very low40.8Very low130 Ų13095.1 Ų95.157%0.5752%0.517SS*.EExtended strand (participates in β ladder)trans-93.4112.617169.1-87.3000106.3F426 P436 V440F426-F438 HydrophobicContact CB-CZ 4.42Å; P436-F438 PolarHBondContact O-N 3.37Å; F438-V440 HydrophobicContact CD2-CG2 3.8Å; F438-V440 HydrophobicContact CE2-CG2 3.89Å
439S40.2Very low40.3Very low47 Ų47101.4 Ų101.433%0.32954%0.544SS..EExtended strand (participates in β ladder)trans-81.3117.3164.450.10000107.3F423 E441F423-S439 WeakPolarHBondContact CE1-OG 3.49Å; S439-E441 PolarHBondContact O-N 2.92Å
440V36.5Very low39.8Very low81 Ų81102.1 Ų102.149%0.49156%0.56SS.*EExtended strand (participates in β ladder)trans-80.5102.3163.6-179.30000105.9F438 V442F438-V440 HydrophobicContact CD2-CG2 3.8Å; F438-V440 HydrophobicContact CE2-CG2 3.89Å; V440-V442 HydrophobicContact CG1-CG2 4.04Å; V440-V442 PolarHBondContact O-N 3.07Å; V440-V442 VanDerWaalsContact O-N 3.08Å
441E39.4Very low39.4Very low94 Ų94101.3 Ų101.344%0.43957%0.568SS.*  trans-70.999.3165.8-170.4173.3-152.600107N421 S439 M443N421-E441 PolarHBondContact ND2-OE1 3.21Å; S439-E441 PolarHBondContact O-N 2.92Å; E441-M443 HydrophobicContact CG-CG 4.08Å; E441-M443 PolarHBondContact O-N 2.94Å
442V35.1Very low39Very low99 Ų99101.2 Ų101.260%0.658%0.576SS**  trans-75.184.4166-176.40000106.3V440 H444V440-V442 HydrophobicContact CG1-CG2 4.04Å; V440-V442 PolarHBondContact O-N 3.07Å; V440-V442 VanDerWaalsContact O-N 3.08Å; V442-H444 PolarHBondContact O-N 3.48Å
443M35.9Very low38.8Very low135 Ų135108.3 Ų108.367%0.66561%0.607SS**  trans-62.9108.3159.9-77.4-179.663.700106.5E441 T445E441-M443 HydrophobicContact CG-CG 4.08Å; E441-M443 PolarHBondContact O-N 2.94Å; M443-T445 PolarHBondContact O-N 2.92Å
444H36.3Very low38.8Very low160 Ų160105.1 Ų105.174%0.74159%0.586SS**  trans-59.1112.4159-113.9-80.7000106V442 T446V442-H444 PolarHBondContact O-N 3.48Å; H444-T446 PolarHBondContact O-N 3.17Å
445T33Very low39.1Very low129 Ų129108.2 Ų108.279%0.79161%0.606SS**  trans-67.878.8-179.352.90000109.4M443M443-T445 PolarHBondContact O-N 2.92Å
446T40.5Very low40.3Very low97 Ų97108.6 Ų108.660%0.59561%0.609SS**  trans-142.262.3175.757.80000110.3H444H444-T446 PolarHBondContact O-N 3.17Å
447N41.6Very low41.7Very low129 Ų129110 Ų11069%0.6962%0.619SS**  trans-166.649.4153.8-117.9-3.1000114.8
448I38.4Very low42.9Very low167 Ų167112.7 Ų112.786%0.85662%0.624SS**SBendtrans-116.760.9162.7-54.1177.5000108
449L32.8Very low44.7Very low155 Ų155106.8 Ų106.881%0.81260%0.599SS**SBendtrans167.3139.1154.3-116.889.9000105.8
450G38Very low46.4Very low71 Ų71110.6 Ų110.673%0.73261%0.613SS**SBendtrans-50.4146.1-177.200000114.2
451M41.8Very low48.3Very low197 Ų197109.6 Ų109.697%0.9761%0.613SS**  trans63.495.1172.6-56.9-147.8172.600116.3
452A33.2Very low50.1Low61 Ų61107.3 Ų107.350%0.50460%0.603SS.*  trans-128.1115.9157.700000110.2
453Q40.9Very low52.2Low167 Ų167102.9 Ų102.978%0.7858%0.577SS**  trans-68.8129.1175.6-166.1159.6-4.600109.1N455Q453-N455 PolarHBondContact O-N 3.42Å
454A47.5Very low54.4Low34 Ų34101.9 Ų101.928%0.28157%0.571SS.*  trans-58.2138.4174.100000109.8N456 L459A454-N456 PolarHBondContact O-N 3.28Å; A454-L459 HydrophobicContact CB-CD1 3.64Å; A454-L459 HydrophobicContact CB-CG 4.16Å
455N54.6Low56.5Low107 Ų10799.2 Ų99.257%0.57256%0.558SS**  trans-57.9114.2176.4-86.5-20.4000109.1Q453 S457 Q458 L459Q453-N455 PolarHBondContact O-N 3.42Å; N455-S457 PolarHBondContact O-N 2.66Å; N455-Q458 PolarHBondContact O-N 2.93Å; N455-L459 PolarHBondContact O-N 2.93Å
456N64.9Low58.7Low94 Ų9493 Ų9350%0.50352%0.521SS..Hα-helixtrans-52.5-28.4-176.9-78.4-70.5000113.1A454 M460A454-N456 PolarHBondContact O-N 3.28Å; N456-M460 WeakPolarHBondContact O-CB 3.34Å; N456-M460 PolarHBondContact O-N 2.89Å
457S66.6Low60.6Low87 Ų8791.8 Ų91.861%0.60851%0.508SS*.Hα-helixtrans-66.6-35.5177.254.70000113.9N455 A461N455-S457 PolarHBondContact O-N 2.66Å; S457-A461 PolarHBondContact O-N 3.47Å; S457-A461 VanDerWaalsContact O-N 3.13Å
458Q66.4Low62.3Low125 Ų12592.4 Ų92.458%0.58451%0.507SS*.Hα-helixtrans-75-41.8178.2-71.3177.7-20.600111.2N455 M460 A461 M462N455-Q458 PolarHBondContact O-N 2.93Å; Q458-M460 VanDerWaalsContact C-N 3.33Å; Q458-M460 PolarHBondContact O-N 2.65Å; Q458-A461 PolarHBondContact O-N 2.94Å; Q458-M462 WeakPolarHBondContact O-CG 3.4Å; Q458-M462 PolarHBondContact O-N 3.02Å
459L74.9Confident64Low6 Ų689 Ų893%0.03149%0.488CS..Hα-helixtrans-63-39.8174.4-74.4168.2000111.8A454 N455 M462 A463 L479 L482 Q483A454-L459 HydrophobicContact CB-CD1 3.64Å; A454-L459 HydrophobicContact CB-CG 4.16Å; N455-L459 PolarHBondContact O-N 2.93Å; L459-M462 HydrophobicContact CD2-CE 3.62Å; L459-M462 HydrophobicContact CG-CE 4.19Å; L459-M462 PolarHBondContact O-N 2.88Å; L459-A463 VanDerWaalsContact O-CB 3.3Å; L459-A463 WeakPolarHBondContact O-CB 3.43Å; L459-A463 PolarHBondContact O-N 3.38Å; L459-L479 HydrophobicContact CB-CD1 3.81Å; L459-L482 HydrophobicContact CD2-CB 3.93Å; L459-L482 WeakPolarHBondContact CD2-O 3.39Å; L459-Q483 HydrophobicContact CD1-CG 3.91Å
460M75.9Confident66.2Low127 Ų12783.4 Ų83.463%0.62646%0.458SS*.Hα-helixtrans-61.4-42.5173.4-97.4-88.3173.600112.6N456 Q458 A463 H464N456-M460 WeakPolarHBondContact O-CB 3.34Å; N456-M460 PolarHBondContact O-N 2.89Å; Q458-M460 VanDerWaalsContact C-N 3.33Å; Q458-M460 PolarHBondContact O-N 2.65Å; M460-A463 PolarHBondContact O-N 2.92Å; M460-H464 PolarHBondContact O-N 3.29Å
461A76.9Confident68Low60 Ų6085 Ų8550%0.49646%0.455SS..Hα-helixtrans-65.3-43.3177.400000112.1S457 Q458 A463 H464 Q465S457-A461 PolarHBondContact O-N 3.47Å; S457-A461 VanDerWaalsContact O-N 3.13Å; Q458-A461 PolarHBondContact O-N 2.94Å; A461-A463 VanDerWaalsContact C-N 3.35Å; A461-H464 PolarHBondContact O-N 3.3Å; A461-Q465 PolarHBondContact O-N 3.39Å; A461-Q465 VanDerWaalsContact O-N 3.11Å
462M77.1Confident69.3Low46 Ų4683 Ų8323%0.22744%0.443CS..Hα-helixtrans-63.9-39.8175.3-66.8-172.8-64.100111.9Q458 L459 Q465 I466 L482 I488Q458-M462 WeakPolarHBondContact O-CG 3.4Å; Q458-M462 PolarHBondContact O-N 3.02Å; L459-M462 HydrophobicContact CD2-CE 3.62Å; L459-M462 HydrophobicContact CG-CE 4.19Å; L459-M462 PolarHBondContact O-N 2.88Å; M462-Q465 PolarHBondContact O-N 3.2Å; M462-I466 WeakPolarHBondContact O-CG1 3.43Å; M462-I466 PolarHBondContact O-N 2.9Å; M462-I466 VanDerWaalsContact O-N 3.13Å; M462-L482 HydrophobicContact CB-CD1 3.87Å; M462-L482 HydrophobicContact CB-CD2 4.25Å; M462-I488 HydrophobicContact CB-CD1 3.92Å; M462-I488 HydrophobicContact CB-CG1 3.71Å; M462-I488 HydrophobicContact CG-CD1 3.77Å; M462-I488 HydrophobicContact CG-CG1 3.91Å; M462-I488 HydrophobicContact SD-CD1 4.47Å; M462-I488 HydrophobicContact SD-CG1 4.29Å
463A79.7Confident71.4Confident6 Ų680.2 Ų80.25%0.0542%0.42CS..Hα-helixtrans-64.4-41176.200000111.9L459 M460 A461 Q465 I466 Q467 V478 L479 L482L459-A463 VanDerWaalsContact O-CB 3.3Å; L459-A463 WeakPolarHBondContact O-CB 3.43Å; L459-A463 PolarHBondContact O-N 3.38Å; M460-A463 PolarHBondContact O-N 2.92Å; A461-A463 VanDerWaalsContact C-N 3.35Å; A463-Q465 VanDerWaalsContact C-N 3.33Å; A463-Q465 PolarHBondContact O-N 3.45Å; A463-I466 PolarHBondContact O-N 2.89Å; A463-Q467 WeakPolarHBondContact O-CB 2.83Å; A463-Q467 PolarHBondContact O-N 3.47Å; A463-V478 HydrophobicContact CB-CG1 4.17Å; A463-L479 HydrophobicContact CB-CD1 4.05Å; A463-L482 HydrophobicContact CB-CD1 3.84Å
464H81.5Confident73.3Confident115 Ų11574.1 Ų74.153%0.53240%0.395SS..Hα-helixtrans-61.9-41.3176.1-166.9-82.7000111.7M460 A461 I466 Q467 E468M460-H464 PolarHBondContact O-N 3.29Å; A461-H464 PolarHBondContact O-N 3.3Å; H464-I466 PolarHBondContact O-N 3.25Å; H464-Q467 PolarHBondContact O-N 3.44Å; H464-E468 IonicContact CE1-OE1 3.25Å; H464-E468 PolarHBondContact CE1-OE1 3.26Å; H464-E468 IonicContact ND1-OE1 3.84Å; H464-E468 PolarHBondContact ND1-OE1 2.92Å; H464-E468 PolarHBondContact O-N 2.86Å
465Q79.6Confident74.6Confident103 Ų10375.2 Ų75.248%0.48140%0.401SS..Hα-helixtrans-64.8-38.6178.2-168.4176.2-15.300112.4A461 M462 A463 Q467 M469A461-Q465 PolarHBondContact O-N 3.39Å; A461-Q465 VanDerWaalsContact O-N 3.11Å; M462-Q465 PolarHBondContact O-N 3.2Å; A463-Q465 VanDerWaalsContact C-N 3.33Å; A463-Q465 PolarHBondContact O-N 3.45Å; Q465-Q467 VanDerWaalsContact C-N 3.34Å; Q465-M469 PolarHBondContact O-N 3.43Å
466I79.8Confident75.7Confident0 Ų076.3 Ų76.30%040%0.397CS..Hα-helixtrans-69.2-35.8174-65171.7000111M462 A463 H464 E468 M469 F470 V478 L482 I488 T491 I495M462-I466 WeakPolarHBondContact O-CG1 3.43Å; M462-I466 PolarHBondContact O-N 2.9Å; M462-I466 VanDerWaalsContact O-N 3.13Å; A463-I466 PolarHBondContact O-N 2.89Å; H464-I466 PolarHBondContact O-N 3.25Å; I466-E468 VanDerWaalsContact C-N 3.35Å; I466-M469 HydrophobicContact CG1-CE 4.24Å; I466-M469 PolarHBondContact O-N 2.97Å; I466-M469 VanDerWaalsContact O-N 3.14Å; I466-F470 HydrophobicContact CG2-CD2 4.3Å; I466-F470 PolarHBondContact O-N 3.4Å; I466-V478 HydrophobicContact CB-CG1 3.78Å; I466-V478 HydrophobicContact CD1-CG1 3.77Å; I466-V478 HydrophobicContact CG1-CG1 4.37Å; I466-V478 HydrophobicContact CG2-CG1 3.7Å; I466-V478 HydrophobicContact CG2-CG2 4.22Å; I466-L482 HydrophobicContact CD1-CD1 3.88Å; I466-L482 HydrophobicContact CD1-CD2 3.99Å; I466-L482 HydrophobicContact CD1-CG 4.05Å; I466-I488 HydrophobicContact CD1-CB 4.31Å; I466-I488 HydrophobicContact CD1-CG1 4.26Å; I466-I488 HydrophobicContact CD1-CG2 4.11Å; I466-I488 HydrophobicContact CG1-CB 4.37Å; I466-I488 HydrophobicContact CG1-CG1 4.33Å; I466-I488 HydrophobicContact CG1-CG2 3.69Å; I466-T491 HydrophobicContact CD1-CG2 3.73Å; I466-I495 HydrophobicContact CG2-CD1 3.57Å
467Q79.8Confident76.4Confident70 Ų7073.3 Ų73.333%0.32738%0.381SS..Hα-helixtrans-71-29.3179.7-163.4167.76.400112.9A463 H464 Q465 M469 F470 P471 S475A463-Q467 WeakPolarHBondContact O-CB 2.83Å; A463-Q467 PolarHBondContact O-N 3.47Å; H464-Q467 PolarHBondContact O-N 3.44Å; Q465-Q467 VanDerWaalsContact C-N 3.34Å; Q467-M469 VanDerWaalsContact C-N 3.3Å; Q467-F470 CarbonylContact O-C 3.39Å; Q467-P471 WeakPolarHBondContact O-CA 3.32Å; Q467-S475 VanDerWaalsContact OE1-CB 3.28Å
468E79Confident77.1Confident143 Ų14369.2 Ų69.267%0.66835%0.353SS*.Hα-helixtrans-63.8-35.2168.3-76.9-179.3-178.800112.1H464 I466H464-E468 IonicContact CE1-OE1 3.25Å; H464-E468 PolarHBondContact CE1-OE1 3.26Å; H464-E468 IonicContact ND1-OE1 3.84Å; H464-E468 PolarHBondContact ND1-OE1 2.92Å; H464-E468 PolarHBondContact O-N 2.86Å; I466-E468 VanDerWaalsContact C-N 3.35Å
469M73.9Confident77.8Confident96 Ų9665 Ų6547%0.47333%0.334SS..Hα-helixtrans-80.3-34.9177.1-61.9-173.5-65.700112.7Q465 I466 Q467 I488Q465-M469 PolarHBondContact O-N 3.43Å; I466-M469 HydrophobicContact CG1-CE 4.24Å; I466-M469 PolarHBondContact O-N 2.97Å; I466-M469 VanDerWaalsContact O-N 3.14Å; Q467-M469 VanDerWaalsContact C-N 3.3Å; M469-I488 HydrophobicContact CE-CG2 4.11Å
470F79.1Confident77.9Confident37 Ų3770.3 Ų70.316%0.16236%0.359CS..  trans-13275.2-175.7-59.5-84.1000111.8I466 Q467 Q472 V473 T492 I495 L496I466-F470 HydrophobicContact CG2-CD2 4.3Å; I466-F470 PolarHBondContact O-N 3.4Å; Q467-F470 CarbonylContact O-C 3.39Å; F470-Q472 PolarHBondContact O-N 3.45Å; F470-Q472 VanDerWaalsContact O-N 3.09Å; F470-V473 HydrophobicContact CB-CG2 4.08Å; F470-V473 PolarHBondContact O-N 3.06Å; F470-T492 HydrophobicContact CE2-CG2 3.55Å; F470-T492 HydrophobicContact CZ-CG2 3.9Å; F470-I495 HydrophobicContact CD1-CG2 4.06Å; F470-I495 HydrophobicContact CD2-CD1 4.48Å; F470-I495 HydrophobicContact CE1-CG2 4.39Å; F470-I495 HydrophobicContact CG-CG2 4.18Å; F470-L496 HydrophobicContact CE1-CD2 3.78Å; F470-L496 HydrophobicContact CE1-CG 4.46Å; F470-L496 HydrophobicContact CZ-CD2 3.83Å; F470-L496 HydrophobicContact CZ-CG 4.15Å
471P74.4Confident78Confident104 Ų10465.7 Ų65.768%0.67534%0.336SS*.THydrogen-bonded Turntrans-66.1-16.2-17523.9-33.5000114.2Q467Q467-P471 WeakPolarHBondContact O-CA 3.32Å
472Q69.2Low78Confident154 Ų15462.8 Ų62.872%0.7231%0.313SS*.THydrogen-bonded Turntrans-81.7-11.2179.562.6-158.88.100114.4F470 V502F470-Q472 PolarHBondContact O-N 3.45Å; F470-Q472 VanDerWaalsContact O-N 3.09Å; Q472-V502 WeakPolarHBondContact O-CG1 3.08Å
473V77.2Confident77.9Confident4 Ų465.3 Ų65.32%0.02432%0.324CS..SBendtrans-96.6124179.3-174.10000109.5F470 S475 V478 I495 I500 V502F470-V473 HydrophobicContact CB-CG2 4.08Å; F470-V473 PolarHBondContact O-N 3.06Å; V473-S475 PolarHBondContact O-N 3.46Å; V473-V478 HydrophobicContact CB-CG2 4.27Å; V473-V478 HydrophobicContact CG1-CG2 3.7Å; V473-I495 HydrophobicContact CG2-CG2 3.9Å; V473-I500 HydrophobicContact CG1-CG2 4.32Å; V473-V502 HydrophobicContact CG1-CG2 4.44Å; V473-V502 HydrophobicContact CG2-CG2 4Å
474P80.3Confident77.4Confident38 Ų3871.9 Ų71.925%0.24736%0.357CS..  trans-58.3133.9177.5-25.832.4000113Y476 L477 V478 V502P474-Y476 HydrophobicContact CB-CD1 3.46Å; P474-Y476 VanDerWaalsContact CB-CD1 3.46Å; P474-Y476 HydrophobicContact CB-CE1 3.23Å; P474-Y476 HydrophobicContact CG-CE1 3.95Å; P474-Y476 PolarHBondContact O-N 3.18Å; P474-Y476 VanDerWaalsContact O-N 3.1Å; P474-L477 HydrophobicContact CG-CD1 4.37Å; P474-L477 PolarHBondContact O-N 3.13Å; P474-V478 PolarHBondContact O-N 3.02Å; P474-V502 HydrophobicContact CG-CG1 4.47Å
475S75.8Confident77.1Confident58 Ų5868.2 Ų68.241%0.40634%0.343SS..Hα-helixtrans-56.7-29.8-176.659.40000114.2Q467 V473 V478 L479Q467-S475 VanDerWaalsContact OE1-CB 3.28Å; V473-S475 PolarHBondContact O-N 3.46Å; S475-V478 PolarHBondContact O-N 2.7Å; S475-L479 WeakPolarHBondContact O-CB 3.33Å; S475-L479 PolarHBondContact O-N 2.86Å
476Y78.4Confident76.7Confident129 Ų12970.8 Ų70.851%0.50635%0.349SS..Hα-helixtrans-69.3-33.1179.175.9-91.5000112.8P474 Q480P474-Y476 HydrophobicContact CB-CD1 3.46Å; P474-Y476 VanDerWaalsContact CB-CD1 3.46Å; P474-Y476 HydrophobicContact CB-CE1 3.23Å; P474-Y476 HydrophobicContact CG-CE1 3.95Å; P474-Y476 PolarHBondContact O-N 3.18Å; P474-Y476 VanDerWaalsContact O-N 3.1Å; Y476-Q480 WeakPolarHBondContact O-CB 3.38Å; Y476-Q480 PolarHBondContact O-N 2.82Å
477L79.4Confident76.4Confident32 Ų3272.6 Ų72.617%0.16836%0.361CS..Hα-helixtrans-73.4-40.3176.5-68.7176.3000111.2P474 L479 Q480 D481 I500 P503P474-L477 HydrophobicContact CG-CD1 4.37Å; P474-L477 PolarHBondContact O-N 3.13Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L477-Q480 PolarHBondContact O-N 2.92Å; L477-D481 PolarHBondContact O-N 3.47Å; L477-I500 HydrophobicContact CB-CG2 3.89Å; L477-I500 HydrophobicContact CD1-CG2 4.26Å; L477-P503 HydrophobicContact CD1-CG 4.46Å
478V80.7Confident76.1Confident1 Ų170.9 Ų70.91%0.00635%0.354CS..Hα-helixtrans-61.9-44.1174.6179.60000110.5A463 I466 V473 P474 S475 Q480 D481 L482 T491 I495A463-V478 HydrophobicContact CB-CG1 4.17Å; I466-V478 HydrophobicContact CB-CG1 3.78Å; I466-V478 HydrophobicContact CD1-CG1 3.77Å; I466-V478 HydrophobicContact CG1-CG1 4.37Å; I466-V478 HydrophobicContact CG2-CG1 3.7Å; I466-V478 HydrophobicContact CG2-CG2 4.22Å; V473-V478 HydrophobicContact CB-CG2 4.27Å; V473-V478 HydrophobicContact CG1-CG2 3.7Å; P474-V478 PolarHBondContact O-N 3.02Å; S475-V478 PolarHBondContact O-N 2.7Å; V478-Q480 VanDerWaalsContact C-N 3.35Å; V478-Q480 PolarHBondContact O-N 2.73Å; V478-D481 PolarHBondContact O-N 2.83Å; V478-L482 HydrophobicContact CG1-CD1 3.9Å; V478-L482 HydrophobicContact CG1-CG 4.43Å; V478-L482 VanDerWaalsContact O-CB 3.27Å; V478-L482 WeakPolarHBondContact O-CB 3.19Å; V478-L482 VanDerWaalsContact O-CG 3.31Å; V478-L482 WeakPolarHBondContact O-CG 3.38Å; V478-L482 PolarHBondContact O-N 2.84Å; V478-T491 HydrophobicContact CG1-CG2 4.29Å; V478-I495 HydrophobicContact CG2-CD1 4.38Å
479L81.3Confident75.9Confident37 Ų3770.1 Ų70.119%0.19435%0.35CS..Hα-helixtrans-66.5-37.3178.8-165.170.7000112L459 A463 S475 L477 Q483L459-L479 HydrophobicContact CB-CD1 3.81Å; A463-L479 HydrophobicContact CB-CD1 4.05Å; S475-L479 WeakPolarHBondContact O-CB 3.33Å; S475-L479 PolarHBondContact O-N 2.86Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L479-Q483 VanDerWaalsContact O-CG 3.27Å; L479-Q483 WeakPolarHBondContact O-CG 3.43Å; L479-Q483 PolarHBondContact O-N 3.43Å
480Q77.6Confident75.9Confident117 Ų11768 Ų6855%0.54734%0.342SS..Hα-helixtrans-67.7-40.6177.4-175.1163.7-0.100112.2Y476 L477 V478Y476-Q480 WeakPolarHBondContact O-CB 3.38Å; Y476-Q480 PolarHBondContact O-N 2.82Å; L477-Q480 PolarHBondContact O-N 2.92Å; V478-Q480 VanDerWaalsContact C-N 3.35Å; V478-Q480 PolarHBondContact O-N 2.73Å
481D76.7Confident75.9Confident29 Ų2966.2 Ų66.216%0.15533%0.334CS..Hα-helixtrans-69.5-43174.3-163.262.6000111.1L477 V478 Q483 L484 T485 T491 N494 I500L477-D481 PolarHBondContact O-N 3.47Å; V478-D481 PolarHBondContact O-N 2.83Å; D481-Q483 VanDerWaalsContact C-N 3.26Å; D481-Q483 PolarHBondContact O-N 3.31Å; D481-L484 CarbonylContact O-C 3.58Å; D481-L484 WeakPolarHBondContact O-CA 3.27Å; D481-L484 WeakPolarHBondContact O-CB 3.17Å; D481-L484 PolarHBondContact O-N 3.15Å; D481-T485 WeakPolarHBondContact O-CG2 3.46Å; D481-T485 PolarHBondContact O-N 3.42Å; D481-T485 PolarHBondContact O-OG1 3.01Å; D481-T485 VanDerWaalsContact O-OG1 3.07Å; D481-T485 WeakPolarHBondContact OD2-CG2 3.29Å; D481-T491 HydrophobicContact CB-CG2 3.99Å; D481-T491 WeakPolarHBondContact OD2-CA 3.28Å; D481-T491 VanDerWaalsContact OD2-CB 3.3Å; D481-T491 WeakPolarHBondContact OD2-CB 3.36Å; D481-T491 WeakPolarHBondContact OD2-CG2 3.22Å; D481-T491 PolarHBondContact OD2-OG1 2.9Å; D481-N494 PolarHBondContact OD2-ND2 3.32Å; D481-I500 HydrophobicContact CB-CD1 3.64Å
482L78.2Confident76Confident0 Ų062.2 Ų62.20%031%0.308CS..Hα-helixtrans-61.1-29.8175.6-81.9172000113.8L459 M462 A463 I466 V478 L484 R486 T491L459-L482 HydrophobicContact CD2-CB 3.93Å; L459-L482 WeakPolarHBondContact CD2-O 3.39Å; M462-L482 HydrophobicContact CB-CD1 3.87Å; M462-L482 HydrophobicContact CB-CD2 4.25Å; A463-L482 HydrophobicContact CB-CD1 3.84Å; I466-L482 HydrophobicContact CD1-CD1 3.88Å; I466-L482 HydrophobicContact CD1-CD2 3.99Å; I466-L482 HydrophobicContact CD1-CG 4.05Å; V478-L482 HydrophobicContact CG1-CD1 3.9Å; V478-L482 HydrophobicContact CG1-CG 4.43Å; V478-L482 VanDerWaalsContact O-CB 3.27Å; V478-L482 WeakPolarHBondContact O-CB 3.19Å; V478-L482 VanDerWaalsContact O-CG 3.31Å; V478-L482 WeakPolarHBondContact O-CG 3.38Å; V478-L482 PolarHBondContact O-N 2.84Å; L482-L484 PolarHBondContact O-N 2.91Å; L482-R486 WeakPolarHBondContact O-CA 3.35Å; L482-R486 PolarHBondContact O-N 2.85Å; L482-T491 HydrophobicContact CG-CG2 4.29Å
483Q75.4Confident76.2Confident99 Ų9959 Ų5946%0.46330%0.296SS..Hα-helixtrans-64.1-30.3172.9-81.3175.2-6.700112.2L459 L479 D481L459-Q483 HydrophobicContact CD1-CG 3.91Å; L479-Q483 VanDerWaalsContact O-CG 3.27Å; L479-Q483 WeakPolarHBondContact O-CG 3.43Å; L479-Q483 PolarHBondContact O-N 3.43Å; D481-Q483 VanDerWaalsContact C-N 3.26Å; D481-Q483 PolarHBondContact O-N 3.31Å
484L69Low76Confident143 Ų14359.9 Ų59.975%0.74930%0.301SS*.Hα-helixtrans-90.8-47.9179.8-67168.7000112.1D481 L482D481-L484 CarbonylContact O-C 3.58Å; D481-L484 WeakPolarHBondContact O-CA 3.27Å; D481-L484 WeakPolarHBondContact O-CB 3.17Å; D481-L484 PolarHBondContact O-N 3.15Å; L482-L484 PolarHBondContact O-N 2.91Å
485T74.9Confident76Confident39 Ų3959.1 Ų59.124%0.23929%0.294CS..Hα-helixtrans-81.9-32.2-174.862.90000112.8D481 S487 V490 T491D481-T485 WeakPolarHBondContact O-CG2 3.46Å; D481-T485 PolarHBondContact O-N 3.42Å; D481-T485 PolarHBondContact O-OG1 3.01Å; D481-T485 VanDerWaalsContact O-OG1 3.07Å; D481-T485 WeakPolarHBondContact OD2-CG2 3.29Å; T485-S487 PolarHBondContact O-N 2.9Å; T485-S487 VanDerWaalsContact O-N 3.1Å; T485-S487 PolarHBondContact OG1-O 3.37Å; T485-V490 HydrophobicContact CG2-CB 4.45Å; T485-V490 HydrophobicContact CG2-CG1 3.87Å; T485-T491 PolarHBondContact OG1-OG1 3.47Å
486R70.7Confident75.9Confident157 Ų15761.7 Ų61.759%0.59230%0.303SS*.  trans5126.3-173.9-57.4-178.7-179.6-175.2-3.1114L482L482-R486 WeakPolarHBondContact O-CA 3.35Å; L482-R486 PolarHBondContact O-N 2.85Å
487S73.4Confident75.6Confident37 Ų3761 Ų6126%0.25930%0.304SS..  trans-145.3132.9-179.7175.70000110.9T485 E489 T491T485-S487 PolarHBondContact O-N 2.9Å; T485-S487 VanDerWaalsContact O-N 3.1Å; T485-S487 PolarHBondContact OG1-O 3.37Å; S487-E489 VanDerWaalsContact C-N 3.35Å; S487-E489 PolarHBondContact OG-N 2.95Å; S487-T491 PolarHBondContact O-N 3.36Å; S487-T491 PolarHBondContact O-OG1 3.33Å
488I73.7Confident75Confident34 Ų3461.7 Ų61.717%0.17432%0.319CS..Hα-helixtrans-63.8-41.6177.2-70.2163000111.2M462 I466 M469 T491 T492M462-I488 HydrophobicContact CB-CD1 3.92Å; M462-I488 HydrophobicContact CB-CG1 3.71Å; M462-I488 HydrophobicContact CG-CD1 3.77Å; M462-I488 HydrophobicContact CG-CG1 3.91Å; M462-I488 HydrophobicContact SD-CD1 4.47Å; M462-I488 HydrophobicContact SD-CG1 4.29Å; I466-I488 HydrophobicContact CD1-CB 4.31Å; I466-I488 HydrophobicContact CD1-CG1 4.26Å; I466-I488 HydrophobicContact CD1-CG2 4.11Å; I466-I488 HydrophobicContact CG1-CB 4.37Å; I466-I488 HydrophobicContact CG1-CG1 4.33Å; I466-I488 HydrophobicContact CG1-CG2 3.69Å; M469-I488 HydrophobicContact CE-CG2 4.11Å; I488-T491 PolarHBondContact O-N 2.81Å; I488-T492 WeakPolarHBondContact O-CB 3.33Å; I488-T492 PolarHBondContact O-N 3.07Å; I488-T492 PolarHBondContact O-OG1 2.89Å
489E75.6Confident74.3Confident128 Ų12869.8 Ų69.860%0.59835%0.35SS*.Hα-helixtrans-65.5-46.8-174.8-63.1176.2176.900110.9S487 T491 T492 D493S487-E489 VanDerWaalsContact C-N 3.35Å; S487-E489 PolarHBondContact OG-N 2.95Å; E489-T491 PolarHBondContact O-N 3.42Å; E489-T492 WeakPolarHBondContact O-CB 3.24Å; E489-T492 PolarHBondContact O-N 2.95Å; E489-T492 VanDerWaalsContact O-N 3.16Å; E489-D493 PolarHBondContact O-N 2.92Å
490V73Confident73.6Confident50 Ų5069 Ų6930%0.30335%0.345SS..Hα-helixtrans-66.3-40.9179.7-178.50000111.2T485 T492 D493 N494T485-V490 HydrophobicContact CG2-CB 4.45Å; T485-V490 HydrophobicContact CG2-CG1 3.87Å; V490-T492 VanDerWaalsContact C-N 3.29Å; V490-T492 PolarHBondContact O-N 2.79Å; V490-D493 PolarHBondContact O-N 3.22Å; V490-N494 WeakPolarHBondContact O-CB 3.49Å; V490-N494 PolarHBondContact O-N 2.93Å; V490-N494 PolarHBondContact O-ND2 3.36Å
491T79Confident72.4Confident0 Ų071.4 Ų71.40%036%0.357CS..Hα-helixtrans-67.9-32.1175.5-66.70000111.7I466 V478 D481 L482 T485 S487 I488 E489 N494 I495 I500I466-T491 HydrophobicContact CD1-CG2 3.73Å; V478-T491 HydrophobicContact CG1-CG2 4.29Å; D481-T491 HydrophobicContact CB-CG2 3.99Å; D481-T491 WeakPolarHBondContact OD2-CA 3.28Å; D481-T491 VanDerWaalsContact OD2-CB 3.3Å; D481-T491 WeakPolarHBondContact OD2-CB 3.36Å; D481-T491 WeakPolarHBondContact OD2-CG2 3.22Å; D481-T491 PolarHBondContact OD2-OG1 2.9Å; L482-T491 HydrophobicContact CG-CG2 4.29Å; T485-T491 PolarHBondContact OG1-OG1 3.47Å; S487-T491 PolarHBondContact O-N 3.36Å; S487-T491 PolarHBondContact O-OG1 3.33Å; I488-T491 PolarHBondContact O-N 2.81Å; E489-T491 PolarHBondContact O-N 3.42Å; T491-N494 PolarHBondContact O-N 2.98Å; T491-I495 HydrophobicContact CG2-CD1 4.3Å; T491-I495 WeakPolarHBondContact O-CD1 3.4Å; T491-I495 VanDerWaalsContact O-CG1 3.23Å; T491-I495 WeakPolarHBondContact O-CG1 3.39Å; T491-I495 PolarHBondContact O-N 2.83Å; T491-I500 HydrophobicContact CG2-CD1 4.09Å
492T76.2Confident71.1Confident20 Ų2072.5 Ų72.512%0.12336%0.364CS..Hα-helixtrans-65.9-45.3173-58.70000111.4F470 I488 E489 V490 N494 I495 L496F470-T492 HydrophobicContact CE2-CG2 3.55Å; F470-T492 HydrophobicContact CZ-CG2 3.9Å; I488-T492 WeakPolarHBondContact O-CB 3.33Å; I488-T492 PolarHBondContact O-N 3.07Å; I488-T492 PolarHBondContact O-OG1 2.89Å; E489-T492 WeakPolarHBondContact O-CB 3.24Å; E489-T492 PolarHBondContact O-N 2.95Å; E489-T492 VanDerWaalsContact O-N 3.16Å; V490-T492 VanDerWaalsContact C-N 3.29Å; V490-T492 PolarHBondContact O-N 2.79Å; T492-N494 VanDerWaalsContact C-N 3.34Å; T492-N494 PolarHBondContact O-N 3.48Å; T492-I495 WeakPolarHBondContact O-CB 3.39Å; T492-I495 PolarHBondContact O-N 3.22Å; T492-L496 HydrophobicContact CG2-CD1 4.06Å; T492-L496 HydrophobicContact CG2-CG 4.49Å; T492-L496 WeakPolarHBondContact O-CG 3.4Å; T492-L496 PolarHBondContact O-N 3.26Å
493D73.3Confident69.4Low88 Ų8876.1 Ų76.147%0.47139%0.388SS..Hα-helixtrans-62.8-40.2175.2-74.7-17.6000111.7E489 V490 I495 L496 E497E489-D493 PolarHBondContact O-N 2.92Å; V490-D493 PolarHBondContact O-N 3.22Å; D493-I495 VanDerWaalsContact C-N 3.28Å; D493-I495 PolarHBondContact O-N 3.26Å; D493-L496 PolarHBondContact O-N 3.39Å; D493-E497 WeakPolarHBondContact O-CB 3.5Å; D493-E497 WeakPolarHBondContact O-CG 3.48Å; D493-E497 PolarHBondContact O-N 3.16Å
494N74.7Confident67.4Low22 Ų2280.4 Ų80.412%0.11841%0.405CS..Hα-helixtrans-62.2-33.8175-72.8-23.6000112.9D481 V490 T491 T492 G498 R499 I500D481-N494 PolarHBondContact OD2-ND2 3.32Å; V490-N494 WeakPolarHBondContact O-CB 3.49Å; V490-N494 PolarHBondContact O-N 2.93Å; V490-N494 PolarHBondContact O-ND2 3.36Å; T491-N494 PolarHBondContact O-N 2.98Å; T492-N494 VanDerWaalsContact C-N 3.34Å; T492-N494 PolarHBondContact O-N 3.48Å; N494-G498 PolarHBondContact O-N 3.38Å; N494-R499 HydrophobicContact CB-CB 4.43Å; N494-R499 PolarHBondContact O-N 3.33Å; N494-I500 HydrophobicContact CB-CD1 4.24Å; N494-I500 HydrophobicContact CB-CG1 4.07Å; N494-I500 PolarHBondContact O-N 3.13Å
495I78.8Confident65.8Low21 Ų2179.3 Ų79.311%0.10841%0.407CS..Hα-helixtrans-69.7-47.3173.5-67.7164.9000110.1I466 F470 V473 V478 T491 T492 D493 E497 G498 I500I466-I495 HydrophobicContact CG2-CD1 3.57Å; F470-I495 HydrophobicContact CD1-CG2 4.06Å; F470-I495 HydrophobicContact CD2-CD1 4.48Å; F470-I495 HydrophobicContact CE1-CG2 4.39Å; F470-I495 HydrophobicContact CG-CG2 4.18Å; V473-I495 HydrophobicContact CG2-CG2 3.9Å; V478-I495 HydrophobicContact CG2-CD1 4.38Å; T491-I495 HydrophobicContact CG2-CD1 4.3Å; T491-I495 WeakPolarHBondContact O-CD1 3.4Å; T491-I495 VanDerWaalsContact O-CG1 3.23Å; T491-I495 WeakPolarHBondContact O-CG1 3.39Å; T491-I495 PolarHBondContact O-N 2.83Å; T492-I495 WeakPolarHBondContact O-CB 3.39Å; T492-I495 PolarHBondContact O-N 3.22Å; D493-I495 VanDerWaalsContact C-N 3.28Å; D493-I495 PolarHBondContact O-N 3.26Å; I495-E497 VanDerWaalsContact C-N 3.34Å; I495-E497 PolarHBondContact O-N 3Å; I495-G498 PolarHBondContact O-N 3.4Å; I495-G498 VanDerWaalsContact O-N 3.1Å; I495-I500 HydrophobicContact CD1-CD1 4.43Å; I495-I500 HydrophobicContact CG1-CB 4.28Å; I495-I500 HydrophobicContact CG1-CD1 3.66Å; I495-I500 HydrophobicContact CG1-CG1 4.2Å
496L73.8Confident63.6Low112 Ų11282.3 Ų82.359%0.58644%0.435SS*.Hα-helixtrans-65.5-36.2-178.1-70.2172.1000112.7F470 T492 D493 G498F470-L496 HydrophobicContact CE1-CD2 3.78Å; F470-L496 HydrophobicContact CE1-CG 4.46Å; F470-L496 HydrophobicContact CZ-CD2 3.83Å; F470-L496 HydrophobicContact CZ-CG 4.15Å; T492-L496 HydrophobicContact CG2-CD1 4.06Å; T492-L496 HydrophobicContact CG2-CG 4.49Å; T492-L496 WeakPolarHBondContact O-CG 3.4Å; T492-L496 PolarHBondContact O-N 3.26Å; D493-L496 PolarHBondContact O-N 3.39Å; L496-G498 PolarHBondContact O-N 3.38Å
497E72.6Confident61.6Low114 Ų11484 Ų8453%0.53345%0.45SS..THydrogen-bonded Turntrans-80.60.6176-67.4-177.2170.500113.2D493 I495 R499D493-E497 WeakPolarHBondContact O-CB 3.5Å; D493-E497 WeakPolarHBondContact O-CG 3.48Å; D493-E497 PolarHBondContact O-N 3.16Å; I495-E497 VanDerWaalsContact C-N 3.34Å; I495-E497 PolarHBondContact O-N 3Å; E497-R499 VanDerWaalsContact C-N 3.27Å; E497-R499 HydrophobicContact CB-CG 4.24Å; E497-R499 PolarHBondContact O-N 2.73Å; E497-R499 IonicContact OE1-NH2 3.58Å; E497-R499 IonicContact OE2-CZ 3.8Å; E497-R499 IonicContact OE2-NE 3.47Å; E497-R499 PolarHBondContact OE2-NE 3.32Å; E497-R499 IonicContact OE2-NH2 3.42Å; E497-R499 PolarHBondContact OE2-NH2 3.03Å
498G66.6Low59.4Low47 Ų4786.8 Ų86.849%0.48548%0.475SS..THydrogen-bonded Turntrans71.616.5176.700000114.7N494 I495 L496 I500N494-G498 PolarHBondContact O-N 3.38Å; I495-G498 PolarHBondContact O-N 3.4Å; I495-G498 VanDerWaalsContact O-N 3.1Å; L496-G498 PolarHBondContact O-N 3.38Å; G498-I500 VanDerWaalsContact C-N 3.31Å
499R66.4Low57.2Low171 Ų17193.3 Ų93.365%0.64551%0.508SS*.  trans-73.5-25.6176.8-57.4-173.1-161.1-163.46.5112N494 E497N494-R499 HydrophobicContact CB-CB 4.43Å; N494-R499 PolarHBondContact O-N 3.33Å; E497-R499 VanDerWaalsContact C-N 3.27Å; E497-R499 HydrophobicContact CB-CG 4.24Å; E497-R499 PolarHBondContact O-N 2.73Å; E497-R499 IonicContact OE1-NH2 3.58Å; E497-R499 IonicContact OE2-CZ 3.8Å; E497-R499 IonicContact OE2-NE 3.47Å; E497-R499 PolarHBondContact OE2-NE 3.32Å; E497-R499 IonicContact OE2-NH2 3.42Å; E497-R499 PolarHBondContact OE2-NH2 3.03Å
500I65.9Low55Low21 Ų2195.9 Ų95.911%0.10852%0.521CS..SBendtrans-91.596.3169.3-52-167.6000108.5V473 L477 D481 T491 N494 I495 G498 V502V473-I500 HydrophobicContact CG1-CG2 4.32Å; L477-I500 HydrophobicContact CB-CG2 3.89Å; L477-I500 HydrophobicContact CD1-CG2 4.26Å; D481-I500 HydrophobicContact CB-CD1 3.64Å; T491-I500 HydrophobicContact CG2-CD1 4.09Å; N494-I500 HydrophobicContact CB-CD1 4.24Å; N494-I500 HydrophobicContact CB-CG1 4.07Å; N494-I500 PolarHBondContact O-N 3.13Å; I495-I500 HydrophobicContact CD1-CD1 4.43Å; I495-I500 HydrophobicContact CG1-CB 4.28Å; I495-I500 HydrophobicContact CG1-CD1 3.66Å; I495-I500 HydrophobicContact CG1-CG1 4.2Å; G498-I500 VanDerWaalsContact C-N 3.31Å; I500-V502 PolarHBondContact O-N 3.06Å
501Q51.8Low52.8Low168 Ų168105.4 Ų105.479%0.78555%0.551SS**  trans-71.8113.6177.5-89169-7.700110.9P503Q501-P503 WeakPolarHBondContact O-CD 3.31Å
502V50.3Low50.2Low52 Ų52108.7 Ų108.732%0.31559%0.585SS.*  trans-75.4120173-170.10000108.6Q472 V473 P474 I500 F504Q472-V502 WeakPolarHBondContact O-CG1 3.08Å; V473-V502 HydrophobicContact CG1-CG2 4.44Å; V473-V502 HydrophobicContact CG2-CG2 4Å; P474-V502 HydrophobicContact CG-CG1 4.47Å; I500-V502 PolarHBondContact O-N 3.06Å; V502-F504 PolarHBondContact O-N 3.35Å; V502-F504 VanDerWaalsContact O-N 3.09Å
503P42.2Very low48Very low75 Ų75113.4 Ų113.449%0.48762%0.616SS.*  trans-71.7107.2173.1-8.223.6000107.8L477 Q501L477-P503 HydrophobicContact CD1-CG 4.46Å; Q501-P503 WeakPolarHBondContact O-CD 3.31Å
504F33.2Very low45.8Very low189 Ų189116.7 Ų116.783%0.82963%0.633SS**PPolyproline II helixtrans-62.9132.5167-94-91.3000109.2V502 A506V502-F504 PolarHBondContact O-N 3.35Å; V502-F504 VanDerWaalsContact O-N 3.09Å; F504-A506 PolarHBondContact O-N 3.36Å
505P35Very low43.7Very low120 Ų120124 Ų12478%0.77967%0.666SS**PPolyproline II helixtrans-71.4119.5165.128-27.5000108.4Q507P505-Q507 PolarHBondContact O-N 3.09Å
506A29Very low41.1Very low102 Ų102126.5 Ų126.584%0.84370%0.697SS**PPolyproline II helixtrans-60122.8174.100000111F504F504-A506 PolarHBondContact O-N 3.36Å
507Q29Very low38.7Very low194 Ų194127.1 Ų127.191%0.90771%0.711SS**PPolyproline II helixtrans-98124.1151.4-83-178.5-15.100108.1P505P505-Q507 PolarHBondContact O-N 3.09Å
508A27Very low36.4Very low95 Ų95130.4 Ų130.479%0.78573%0.727SS**PPolyproline II helixtrans-64.4131.4-173.900000112.8
509I28.2Very low34.4Very low170 Ų170132.4 Ų132.487%0.87274%0.738SS**  trans-135127.1144.5-62.1-176.7000107.3
510E29.6Very low32.4Very low183 Ų183133 Ų13386%0.85575%0.748SS**  trans-52.7136.1-169-59.8175.7127.700114.6
511R26Very low30.4Very low249 Ų249139.1 Ų139.194%0.9478%0.781SS**  trans-132.6118.1149.8-75.3-169.5176.3173-0.5108.9
512G24.8Very low29.1Very low69 Ų69140 Ų14071%0.71179%0.785SS**  trans-59.7158.1174.200000112.2
513P30.8Very low27.8Very low120 Ų120146.2 Ų146.278%0.77981%0.811SS**  trans-79.1155.8-168.634.2-33.1000110.3
514L27.3Very low27.3Very low157 Ų157148.3 Ų148.382%0.82282%0.824SS**  -173.6128.9123-93.6158.1000111.7
515Q28.9Very low26.8Very low175 Ų175143 Ų14382%0.81882%0.823SS**  trans0.8133153.9-112.699.41.300118.8
516G24.7Very low26.9Very low74 Ų74143.1 Ų143.176%0.76382%0.824SS**  trans-72.1149.3153.900000112.2
517S24.6Very low26.7Very low125 Ų125144.1 Ų144.187%0.87483%0.825SS**  trans-156.2137.3139.7-155.60000109.3
518Q23.2Very low26.5Very low183 Ų183138.3 Ų138.386%0.85582%0.817SS**  trans-77.3153172.7-72.5174.6-28.500111.2
519A25.1Very low26.4Very low88 Ų88142.9 Ų142.973%0.72782%0.822SS**  trans65.2122.1142.500000119.7
520E24.3Very low26.3Very low183 Ų183139.3 Ų139.386%0.85582%0.818SS**  169.1140.895.1-86.7179.8153.800111.8
521D23.7Very low26.2Very low150 Ų150140.1 Ų140.180%0.80282%0.822SS**  trans72.2147.2144.3-93.4-24.3000127.7
522E24.2Very low26.2Very low187 Ų187137.5 Ų137.587%0.87482%0.82SS**  trans93.2122.6157-75.9-179.399.100123.1
523Q24.2Very low26.3Very low182 Ų182141.8 Ų141.885%0.8583%0.827SS**  trans-76-175.9162.5-63.9171.7-41.700110.8
524P30.9Very low26.2Very low119 Ų119141.8 Ų141.877%0.77383%0.827SS**  cis-133.7146.9-14.533.9-14.3000116.1
525G23Very low26.2Very low78 Ų78138.7 Ų138.780%0.80482%0.818SS**  trans48.4178.9154.400000121.5
526P37.3Very low26.4Very low122 Ų122139.8 Ų139.879%0.79282%0.823SS**  cis-128.3-173.1-14.940.4-23000114
527S24Very low26.7Very low124 Ų124140 Ų14087%0.86781%0.813SS**  trans90.7126.1153.3710000120.7
528G24.2Very low26.9Very low71 Ų71140.5 Ų140.573%0.73281%0.806SS**  trans132.773.415500000117.5
529E25.5Very low27.3Very low191 Ų191138.4 Ų138.489%0.89380%0.801SS**  trans34.6103139.6-62.7173.816300118.5
530A25.8Very low27.6Very low95 Ų95141.5 Ų141.579%0.78580%0.802SS**  83104.788.600000114.3
531E27.2Very low28.2Very low201 Ų201141.7 Ų141.794%0.93980%0.803SS**  -161.1125.3129.5-108.6176.9149.800109.9
532Q26.6Very low29.1Very low193 Ų193138.8 Ų138.890%0.90280%0.8SS**  trans-80.8131179.5-70.5169.5-16.100109.5
533N26.3Very low30Very low159 Ų159139.7 Ų139.785%0.8580%0.795SS**  trans-127.9140.3155.7-101.2-26.1000109.1
534P30.4Very low31Very low121 Ų121133.8 Ų133.879%0.78678%0.783SS**  trans-69.7143.8-170.6-11.227000111.9
535S26.7Very low31.6Very low91 Ų91132.2 Ų132.264%0.63679%0.789SS**  trans-57.6121.2-176.446.20000115.2S537S535-S537 PolarHBondContact O-N 3.42Å
536E33.2Very low33.1Very low199 Ų199139.5 Ų139.593%0.9379%0.792SS**THydrogen-bonded Turntrans-72.641.5159.9-73.9-172.5125.500112.6
537S30.3Very low34.1Very low77 Ų77142.2 Ų142.254%0.53879%0.791SS.*THydrogen-bonded Turntrans-99.5-18.1177.656.80000114.1S535S535-S537 PolarHBondContact O-N 3.42Å
538D29.1Very low36Very low136 Ų136137.3 Ų137.373%0.72776%0.757SS**THydrogen-bonded Turntrans-91.5-6.6-173.9-78.70.2000114.6
539N32Very low37.7Very low140 Ų140142.5 Ų142.575%0.74976%0.76SS**THydrogen-bonded Turntrans-97.6-1.3-178.7-98.7-16.4000114.7
540M30.4Very low39.9Very low152 Ų152135.8 Ų135.875%0.74973%0.734SS**SBendtrans-82.1-26179.7-166.56788.600112.6A542 R543M540-A542 VanDerWaalsContact C-N 3.3Å; M540-A542 PolarHBondContact O-N 3Å; M540-R543 PolarHBondContact O-N 2.94Å
541E37.7Very low41.9Very low187 Ų187132 Ų13287%0.87470%0.703SS**THydrogen-bonded Turntrans-73.8-19179.2-77.4-174.8138.200113.7R543E541-R543 VanDerWaalsContact C-N 3.3Å; E541-R543 PolarHBondContact O-N 2.9Å
542A41.3Very low44Very low90 Ų90129.3 Ų129.374%0.74469%0.69SS**THydrogen-bonded Turntrans-79.2-10.5174.300000113.6M540M540-A542 VanDerWaalsContact C-N 3.3Å; M540-A542 PolarHBondContact O-N 3Å
543R43.1Very low46.4Very low206 Ų206125 Ų12578%0.77767%0.67SS**SBendtrans-10653.8-174.9-120.1176.9-178.7179.11.1113M540 E541 G545M540-R543 PolarHBondContact O-N 2.94Å; E541-R543 VanDerWaalsContact C-N 3.3Å; E541-R543 PolarHBondContact O-N 2.9Å; R543-G545 PolarHBondContact O-N 3.39Å
544G46.6Very low48.9Very low58 Ų58120.4 Ų120.460%0.59864%0.64SS**  trans6248.4138.700000118.7
545G44Very low51.1Low86 Ų86120.2 Ų120.289%0.88763%0.629SS**SBendtrans-84.7-18.1166.500000114.7R543R543-G545 PolarHBondContact O-N 3.39Å
546R53.7Low53.8Low231 Ų231123 Ų12387%0.87263%0.63SS**SBendtrans-136.6126.2-175.1-125.7177.4-177.6-177.12.2110.8S548R546-S548 PolarHBondContact O-N 2.85Å
547F57.3Low56.1Low178 Ų178117.7 Ų117.778%0.78161%0.606SS**  trans-63.2128.7169.3-118-115.1000108.8R554F547-R554 HydrophobicContact CD1-CG 4.12Å; F547-R554 VanDerWaalsContact CE1-CD 3.46Å; F547-R554 HydrophobicContact CE1-CG 4.31Å
548S65.5Low58.5Low22 Ų22119.8 Ų119.815%0.15461%0.61CS.*  trans-62.9148.8173.1177.10000110R546 S550 E553 R554R546-S548 PolarHBondContact O-N 2.85Å; S548-S550 PolarHBondContact OG-N 3.46Å; S548-E553 WeakPolarHBondContact CB-OE2 3.4Å; S548-E553 VanDerWaalsContact OG-CD 3.23Å; S548-E553 PolarHBondContact OG-OE2 3.27Å; S548-R554 VanDerWaalsContact O-CD 3.29Å; S548-R554 WeakPolarHBondContact O-CD 3.32Å; S548-R554 WeakPolarHBondContact O-CG 3.4Å; S548-R554 PolarHBondContact O-NH1 3.41Å
549K59.9Low61.2Low180 Ų180119.2 Ų119.278%0.78360%0.601SS**SBendtrans-74.6-27.7176.8-68.7-177.4177.5-1800112.3R554K549-R554 PolarHBondContact O-NH1 3.31Å
550S70.3Confident63.9Low50 Ų50117.6 Ų117.635%0.3559%0.592SS.*SBendtrans-84.4133.8-179.1174.10000112.4S548 E553 R554S548-S550 PolarHBondContact OG-N 3.46Å; S550-E553 PolarHBondContact O-N 2.84Å; S550-R554 WeakPolarHBondContact O-CG 3.42Å; S550-R554 PolarHBondContact O-N 3.29Å; S550-R554 VanDerWaalsContact O-N 3.1Å
551A68.5Low66.4Low16 Ų16118.1 Ų118.113%0.13259%0.586CS.*Hα-helixtrans-56-50.5175.700000112.3D338 D339 E553 R554 Q555D338-A551 WeakPolarHBondContact O-CB 3.36Å; D339-A551 WeakPolarHBondContact OD1-CB 3.46Å; A551-E553 VanDerWaalsContact C-N 3.31Å; A551-E553 PolarHBondContact O-N 3.49Å; A551-R554 WeakPolarHBondContact O-CB 3.34Å; A551-R554 PolarHBondContact O-N 3.03Å; A551-Q555 WeakPolarHBondContact O-CB 3.18Å; A551-Q555 PolarHBondContact O-N 3.32Å
552E71.6Confident68.8Low144 Ų144115.7 Ų115.767%0.67357%0.572SS**Hα-helixtrans-61.5-40.6-178.4-69.7-175.6139.700111.7Q555 K556E552-Q555 PolarHBondContact O-N 3.28Å; E552-K556 VanDerWaalsContact O-CB 3.29Å; E552-K556 WeakPolarHBondContact O-CB 3.42Å; E552-K556 PolarHBondContact O-N 3.28Å
553E76.3Confident71Confident102 Ų102116.9 Ų116.948%0.47756%0.563SS.*Hα-helixtrans-68.6-40.2179.6-166.3179.5177.400111.2S548 S550 A551 K556 M557S548-E553 WeakPolarHBondContact CB-OE2 3.4Å; S548-E553 VanDerWaalsContact OG-CD 3.23Å; S548-E553 PolarHBondContact OG-OE2 3.27Å; S550-E553 PolarHBondContact O-N 2.84Å; A551-E553 VanDerWaalsContact C-N 3.31Å; A551-E553 PolarHBondContact O-N 3.49Å; E553-K556 PolarHBondContact O-N 2.82Å; E553-M557 WeakPolarHBondContact O-CB 3.37Å; E553-M557 WeakPolarHBondContact O-CG 3.39Å; E553-M557 PolarHBondContact O-N 3Å
554R78Confident73.3Confident62 Ų62112.1 Ų112.123%0.23455%0.549CS..Hα-helixtrans-61.8-43.9172.2-69.9-171.9-65.1-111.89111.7D339 F547 S548 K549 S550 A551 K556 M557 L558D339-R554 IonicContact OD1-CZ 2.64Å; D339-R554 IonicContact OD1-NH2 2.81Å; D339-R554 PolarHBondContact OD1-NH2 3.48Å; D339-R554 IonicContact OD2-CZ 3.46Å; D339-R554 IonicContact OD2-NH2 3.69Å; D339-R554 PolarHBondContact OD2-NH2 3.42Å; F547-R554 HydrophobicContact CD1-CG 4.12Å; F547-R554 VanDerWaalsContact CE1-CD 3.46Å; F547-R554 HydrophobicContact CE1-CG 4.31Å; S548-R554 VanDerWaalsContact O-CD 3.29Å; S548-R554 WeakPolarHBondContact O-CD 3.32Å; S548-R554 WeakPolarHBondContact O-CG 3.4Å; S548-R554 PolarHBondContact O-NH1 3.41Å; K549-R554 PolarHBondContact O-NH1 3.31Å; S550-R554 WeakPolarHBondContact O-CG 3.42Å; S550-R554 PolarHBondContact O-N 3.29Å; S550-R554 VanDerWaalsContact O-N 3.1Å; A551-R554 WeakPolarHBondContact O-CB 3.34Å; A551-R554 PolarHBondContact O-N 3.03Å; R554-K556 VanDerWaalsContact C-N 3.34Å; R554-M557 HydrophobicContact CG-CE 4.41Å; R554-M557 PolarHBondContact O-N 3.28Å; R554-L558 WeakPolarHBondContact O-CB 3.35Å; R554-L558 PolarHBondContact O-N 2.92Å
555Q77.6Confident75.2Confident118 Ų118115.3 Ų115.355%0.55155%0.55SS**Hα-helixtrans-66.8-37.7179.5-162.8172.54.100111.6A551 E552 L558 K559A551-Q555 WeakPolarHBondContact O-CB 3.18Å; A551-Q555 PolarHBondContact O-N 3.32Å; E552-Q555 PolarHBondContact O-N 3.28Å; Q555-L558 PolarHBondContact O-N 3.23Å; Q555-K559 WeakPolarHBondContact O-CB 3.41Å; Q555-K559 WeakPolarHBondContact O-CG 3.33Å; Q555-K559 PolarHBondContact O-N 3.01Å
556K82.6Confident77.3Confident150 Ų150115.4 Ų115.465%0.65253%0.53SS*.Hα-helixtrans-64.8-47.7173.3-170.6178.2-178.8-178.70111.5E552 E553 R554 L558 K559 L560E552-K556 VanDerWaalsContact O-CB 3.29Å; E552-K556 WeakPolarHBondContact O-CB 3.42Å; E552-K556 PolarHBondContact O-N 3.28Å; E553-K556 PolarHBondContact O-N 2.82Å; R554-K556 VanDerWaalsContact C-N 3.34Å; K556-L558 VanDerWaalsContact C-N 3.29Å; K556-L558 PolarHBondContact O-N 3.46Å; K556-K559 PolarHBondContact O-N 3.26Å; K556-L560 WeakPolarHBondContact O-CB 3.26Å; K556-L560 PolarHBondContact O-N 3.35Å
557M81.9Confident78.9Confident86 Ų86109.7 Ų109.742%0.42451%0.513SS..Hα-helixtrans-59.7-40174.9-76.6-167.5-69.700112E553 R554 L560 R561E553-M557 WeakPolarHBondContact O-CB 3.37Å; E553-M557 WeakPolarHBondContact O-CG 3.39Å; E553-M557 PolarHBondContact O-N 3Å; R554-M557 HydrophobicContact CG-CE 4.41Å; R554-M557 PolarHBondContact O-N 3.28Å; M557-L560 PolarHBondContact O-N 2.95Å; M557-R561 VanDerWaalsContact O-CB 3.23Å; M557-R561 WeakPolarHBondContact O-CB 3.09Å; M557-R561 PolarHBondContact O-N 3.41Å
558L81.7Confident80.4Confident121 Ų121106 Ų10663%0.63450%0.498SS*.Hα-helixtrans-67.8-43.2178.9-157.7158.7000111.2R554 Q555 K556 R561 K562R554-L558 WeakPolarHBondContact O-CB 3.35Å; R554-L558 PolarHBondContact O-N 2.92Å; Q555-L558 PolarHBondContact O-N 3.23Å; K556-L558 VanDerWaalsContact C-N 3.29Å; K556-L558 PolarHBondContact O-N 3.46Å; L558-R561 PolarHBondContact O-N 2.92Å; L558-K562 VanDerWaalsContact O-CB 3.24Å; L558-K562 WeakPolarHBondContact O-CB 3.46Å; L558-K562 PolarHBondContact O-N 2.8Å
559K84.8Confident81.3Confident124 Ų124107.6 Ų107.654%0.53951%0.512SS..Hα-helixtrans-59.7-46.3173-76.2178-178.1177.30111.5Q555 K556 K562 E563Q555-K559 WeakPolarHBondContact O-CB 3.41Å; Q555-K559 WeakPolarHBondContact O-CG 3.33Å; Q555-K559 PolarHBondContact O-N 3.01Å; K556-K559 PolarHBondContact O-N 3.26Å; K559-K562 WeakPolarHBondContact O-CB 3.28Å; K559-K562 PolarHBondContact O-N 3.33Å; K559-E563 PolarHBondContact O-N 2.88Å
560L88.3Confident82.3Confident106 Ų106105.4 Ų105.456%0.55550%0.499SS*.Hα-helixtrans-65.1-42.5-179.6-160.4139.3000111.5K556 M557 K562 E563 E564K556-L560 WeakPolarHBondContact O-CB 3.26Å; K556-L560 PolarHBondContact O-N 3.35Å; M557-L560 PolarHBondContact O-N 2.95Å; L560-K562 VanDerWaalsContact C-N 3.35Å; L560-K562 PolarHBondContact O-N 3.47Å; L560-E563 PolarHBondContact O-N 3.42Å; L560-E564 WeakPolarHBondContact O-CB 3.33Å; L560-E564 PolarHBondContact O-N 3.34Å
561R84.1Confident82.8Confident164 Ų164111.6 Ų111.662%0.61952%0.515SS*.Hα-helixtrans-68.1-33.5175.5-160.4170-169.1166.92112.6M557 L558 M565M557-R561 VanDerWaalsContact O-CB 3.23Å; M557-R561 WeakPolarHBondContact O-CB 3.09Å; M557-R561 PolarHBondContact O-N 3.41Å; L558-R561 PolarHBondContact O-N 2.92Å; R561-M565 VanDerWaalsContact O-CB 3.27Å; R561-M565 WeakPolarHBondContact O-CB 3.44Å; R561-M565 PolarHBondContact O-N 3.2Å
562K87.9Confident83.3Confident135 Ų135118.9 Ų118.959%0.58754%0.539SS*.Hα-helixtrans-65-45171.8178.2-175.5176.8-176.70110.8L558 K559 L560 M565 L566L558-K562 VanDerWaalsContact O-CB 3.24Å; L558-K562 WeakPolarHBondContact O-CB 3.46Å; L558-K562 PolarHBondContact O-N 2.8Å; K559-K562 WeakPolarHBondContact O-CB 3.28Å; K559-K562 PolarHBondContact O-N 3.33Å; L560-K562 VanDerWaalsContact C-N 3.35Å; L560-K562 PolarHBondContact O-N 3.47Å; K562-M565 PolarHBondContact O-N 2.91Å; K562-L566 HydrophobicContact CG-CD1 4.18Å; K562-L566 WeakPolarHBondContact O-CB 3.27Å; K562-L566 VanDerWaalsContact O-CG 3.27Å; K562-L566 WeakPolarHBondContact O-CG 3.3Å; K562-L566 PolarHBondContact O-N 3.44Å
563E88.3Confident83.5Confident116 Ų116119.9 Ų119.954%0.54254%0.542SS..Hα-helixtrans-62.9-45175.5-80173.1-176.100111.8K559 L560 M565 L566 Q567K559-E563 PolarHBondContact O-N 2.88Å; L560-E563 PolarHBondContact O-N 3.42Å; E563-M565 VanDerWaalsContact C-N 3.34Å; E563-M565 PolarHBondContact O-N 3.34Å; E563-L566 PolarHBondContact O-N 2.89Å; E563-Q567 WeakPolarHBondContact O-CB 3.46Å; E563-Q567 WeakPolarHBondContact O-CG 3.3Å; E563-Q567 PolarHBondContact O-N 3.4Å
564E90.8Very high83.4Confident106 Ų106120.5 Ų120.550%0.49555%0.548SS..Hα-helixtrans-60.2-44.6175.8-168.7-173-178.200111.3L560 L566 Q567 Q568L560-E564 WeakPolarHBondContact O-CB 3.33Å; L560-E564 PolarHBondContact O-N 3.34Å; E564-L566 VanDerWaalsContact C-N 3.35Å; E564-L566 PolarHBondContact O-N 3.45Å; E564-Q567 PolarHBondContact O-N 2.78Å; E564-Q568 WeakPolarHBondContact O-CB 3.27Å; E564-Q568 PolarHBondContact O-N 3.26Å
565M86Confident83Confident125 Ų125122 Ų12262%0.61656%0.56SS**Hα-helixtrans-63.7-40.1176.8-169.4-176.2-61.600111.8R561 K562 E563 Q568 A569R561-M565 VanDerWaalsContact O-CB 3.27Å; R561-M565 WeakPolarHBondContact O-CB 3.44Å; R561-M565 PolarHBondContact O-N 3.2Å; K562-M565 PolarHBondContact O-N 2.91Å; E563-M565 VanDerWaalsContact C-N 3.34Å; E563-M565 PolarHBondContact O-N 3.34Å; M565-Q568 PolarHBondContact O-N 3.03Å; M565-A569 VanDerWaalsContact O-CB 3.3Å; M565-A569 WeakPolarHBondContact O-CB 3.34Å; M565-A569 PolarHBondContact O-N 2.95Å
566L88.6Confident82.4Confident88 Ų88122.8 Ų122.846%0.46156%0.562SS.*Hα-helixtrans-65.3-42.3174.5-75.7169.6000111.6K562 E563 E564 A569 R570K562-L566 HydrophobicContact CG-CD1 4.18Å; K562-L566 WeakPolarHBondContact O-CB 3.27Å; K562-L566 VanDerWaalsContact O-CG 3.27Å; K562-L566 WeakPolarHBondContact O-CG 3.3Å; K562-L566 PolarHBondContact O-N 3.44Å; E563-L566 PolarHBondContact O-N 2.89Å; E564-L566 VanDerWaalsContact C-N 3.35Å; E564-L566 PolarHBondContact O-N 3.45Å; L566-A569 PolarHBondContact O-N 3.26Å; L566-R570 WeakPolarHBondContact O-CB 3.41Å; L566-R570 VanDerWaalsContact O-CG 3.24Å; L566-R570 WeakPolarHBondContact O-CG 3.49Å; L566-R570 PolarHBondContact O-N 3.5Å
567Q87.4Confident81.2Confident111 Ų111117.3 Ų117.352%0.51955%0.548SS..Hα-helixtrans-64.6-41.7175.8-74.4-179.36.500111.5E563 E564 R570 R571E563-Q567 WeakPolarHBondContact O-CB 3.46Å; E563-Q567 WeakPolarHBondContact O-CG 3.3Å; E563-Q567 PolarHBondContact O-N 3.4Å; E564-Q567 PolarHBondContact O-N 2.78Å; Q567-R570 PolarHBondContact O-N 3.5Å; Q567-R571 WeakPolarHBondContact O-CG 3.27Å; Q567-R571 PolarHBondContact O-N 3.4Å
568Q87.7Confident79.8Confident101 Ų101119 Ų11947%0.47256%0.555SS.*Hα-helixtrans-65.4-42.3176.3-167.7-179.823.200111.5E564 M565 R570 R571 R572E564-Q568 WeakPolarHBondContact O-CB 3.27Å; E564-Q568 PolarHBondContact O-N 3.26Å; M565-Q568 PolarHBondContact O-N 3.03Å; Q568-R570 VanDerWaalsContact C-N 3.35Å; Q568-R571 PolarHBondContact O-N 3.46Å; Q568-R572 WeakPolarHBondContact O-CG 3.46Å; Q568-R572 PolarHBondContact O-N 3.42Å
569A84.5Confident78.3Confident54 Ų54119.2 Ų119.245%0.44655%0.553SS.*Hα-helixtrans-62.6-41174.200000111.8M565 L566 R572 F573M565-A569 VanDerWaalsContact O-CB 3.3Å; M565-A569 WeakPolarHBondContact O-CB 3.34Å; M565-A569 PolarHBondContact O-N 2.95Å; L566-A569 PolarHBondContact O-N 3.26Å; A569-R572 PolarHBondContact O-N 3.29Å; A569-F573 WeakPolarHBondContact O-CB 3.43Å; A569-F573 PolarHBondContact O-N 2.91Å
570R82.2Confident76.6Confident135 Ų135118.8 Ų118.851%0.50956%0.556SS.*Hα-helixtrans-61.9-44.7173.9-75.5172.7-177.7-165.6-0112L566 Q567 Q568 R572 F573 L574L566-R570 WeakPolarHBondContact O-CB 3.41Å; L566-R570 VanDerWaalsContact O-CG 3.24Å; L566-R570 WeakPolarHBondContact O-CG 3.49Å; L566-R570 PolarHBondContact O-N 3.5Å; Q567-R570 PolarHBondContact O-N 3.5Å; Q568-R570 VanDerWaalsContact C-N 3.35Å; R570-R572 PolarHBondContact O-N 3.38Å; R570-F573 WeakPolarHBondContact O-CB 3.49Å; R570-F573 PolarHBondContact O-N 2.98Å; R570-L574 WeakPolarHBondContact O-CG 3.29Å; R570-L574 PolarHBondContact O-N 3.36Å
571R79.2Confident74.7Confident180 Ų180119 Ų11968%0.67956%0.558SS**Hα-helixtrans-60.8-43.7175.1-76.7-179.2177.8174.60.9112Q567 Q568 F573 L574 N575Q567-R571 WeakPolarHBondContact O-CG 3.27Å; Q567-R571 PolarHBondContact O-N 3.4Å; Q568-R571 PolarHBondContact O-N 3.46Å; R571-F573 VanDerWaalsContact C-N 3.33Å; R571-F573 PolarHBondContact O-N 2.96Å; R571-L574 PolarHBondContact O-N 3.43Å; R571-N575 PolarHBondContact O-N 3.41Å
572R79.4Confident72.9Confident169 Ų169118.7 Ų118.764%0.63856%0.563SS**Hα-helixtrans-62.1-39.9174.9-73.3179.5-179.3-178.31.2112.4Q568 A569 R570 K576Q568-R572 WeakPolarHBondContact O-CG 3.46Å; Q568-R572 PolarHBondContact O-N 3.42Å; A569-R572 PolarHBondContact O-N 3.29Å; R570-R572 PolarHBondContact O-N 3.38Å; R572-K576 VanDerWaalsContact O-CB 3.31Å; R572-K576 WeakPolarHBondContact O-CB 3.38Å; R572-K576 PolarHBondContact O-N 3.34Å
573F76.5Confident70.9Confident165 Ų165120.6 Ų120.672%0.72458%0.575SS**Hα-helixtrans-64-42.1176.5-178.1-97.5000112.1A569 R570 R571 G577A569-F573 WeakPolarHBondContact O-CB 3.43Å; A569-F573 PolarHBondContact O-N 2.91Å; R570-F573 WeakPolarHBondContact O-CB 3.49Å; R570-F573 PolarHBondContact O-N 2.98Å; R571-F573 VanDerWaalsContact C-N 3.33Å; R571-F573 PolarHBondContact O-N 2.96Å; F573-G577 PolarHBondContact O-N 2.92Å
574L73.2Confident68.6Low115 Ų115122.1 Ų122.160%0.60259%0.586SS**Hα-helixtrans-66.5-45.1176.8-69.5170.2000112.1R570 R571 K576 G577 Q578R570-L574 WeakPolarHBondContact O-CG 3.29Å; R570-L574 PolarHBondContact O-N 3.36Å; R571-L574 PolarHBondContact O-N 3.43Å; L574-K576 PolarHBondContact O-N 3.17Å; L574-G577 PolarHBondContact O-N 2.98Å; L574-Q578 PolarHBondContact O-N 3.02Å
575N69.7Low65.9Low93 Ų93124.8 Ų124.850%0.49760%0.603SS.*Hα-helixtrans-64.7-38.5177.8-75.311.8000112.1R571 G577 Q578 E579R571-N575 PolarHBondContact O-N 3.41Å; N575-G577 VanDerWaalsContact C-N 3.31Å; N575-G577 PolarHBondContact O-N 3.46Å; N575-Q578 WeakPolarHBondContact O-CA 3.44Å; N575-Q578 WeakPolarHBondContact O-CB 3.04Å; N575-Q578 PolarHBondContact O-N 2.95Å; N575-E579 PolarHBondContact O-N 3.5Å
576K66.5Low63.7Low134 Ų134124.5 Ų124.558%0.58361%0.611SS**Hα-helixtrans-64.4-35.9176.2-169167-176.1171.40112.4R572 L574 Q578 D580R572-K576 VanDerWaalsContact O-CB 3.31Å; R572-K576 WeakPolarHBondContact O-CB 3.38Å; R572-K576 PolarHBondContact O-N 3.34Å; L574-K576 PolarHBondContact O-N 3.17Å; K576-Q578 PolarHBondContact O-N 3.34Å; K576-D580 WeakPolarHBondContact O-CB 3.36Å; K576-D580 PolarHBondContact O-N 3.03Å; K576-D580 VanDerWaalsContact O-N 3.07Å
577G55.9Low61.5Low36 Ų36131.1 Ų131.137%0.37163%0.629SS.*Hα-helixtrans-71.3-8.8171.700000114.6F573 L574 N575 N581F573-G577 PolarHBondContact O-N 2.92Å; L574-G577 PolarHBondContact O-N 2.98Å; N575-G577 VanDerWaalsContact C-N 3.31Å; N575-G577 PolarHBondContact O-N 3.46Å; G577-N581 PolarHBondContact O-ND2 3.45Å
578Q53.2Low59.2Low120 Ų120133.2 Ų133.256%0.56164%0.644SS**Hα-helixtrans-98-39.6176.6-146169.3-21.700110.6L574 N575 K576 N581 E582L574-Q578 PolarHBondContact O-N 3.02Å; N575-Q578 WeakPolarHBondContact O-CA 3.44Å; N575-Q578 WeakPolarHBondContact O-CB 3.04Å; N575-Q578 PolarHBondContact O-N 2.95Å; K576-Q578 PolarHBondContact O-N 3.34Å; Q578-N581 WeakPolarHBondContact O-CB 3.45Å; Q578-N581 PolarHBondContact O-N 3.43Å; Q578-N581 VanDerWaalsContact O-N 3.13Å; Q578-E582 PolarHBondContact O-N 3.4Å
579E49.9Very low56.7Low126 Ų126136.4 Ų136.459%0.58966%0.658SS**Hα-helixtrans-64.5-40.8171.7-72172.2171.200112.1N575 N581 E582 E583N575-E579 PolarHBondContact O-N 3.5Å; E579-N581 PolarHBondContact O-N 3.5Å; E579-N581 VanDerWaalsContact O-N 3.09Å; E579-E582 PolarHBondContact O-N 3.27Å; E579-E582 VanDerWaalsContact O-N 3.1Å; E579-E583 PolarHBondContact O-N 3.06Å
580D49.9Very low54.8Low115 Ų115142.3 Ų142.362%0.61568%0.677SS**THydrogen-bonded Turntrans-64.4-12.1173.4-71.2-18.8000113.2K576K576-D580 WeakPolarHBondContact O-CB 3.36Å; K576-D580 PolarHBondContact O-N 3.03Å; K576-D580 VanDerWaalsContact O-N 3.07Å
581N46.8Very low53Low110 Ų110143.7 Ų143.759%0.58869%0.694SS**THydrogen-bonded Turntrans-100.3-10.7176-90.7-30.2000113.5G577 Q578 E579G577-N581 PolarHBondContact O-ND2 3.45Å; Q578-N581 WeakPolarHBondContact O-CB 3.45Å; Q578-N581 PolarHBondContact O-N 3.43Å; Q578-N581 VanDerWaalsContact O-N 3.13Å; E579-N581 PolarHBondContact O-N 3.5Å; E579-N581 VanDerWaalsContact O-N 3.09Å
582E47.3Very low51.2Low158 Ų158138 Ų13874%0.73868%0.682SS**THydrogen-bonded Turntrans-107.2-15-176.1-84.4-177.1121.600114.2Q578 E579Q578-E582 PolarHBondContact O-N 3.4Å; E579-E582 PolarHBondContact O-N 3.27Å; E579-E582 VanDerWaalsContact O-N 3.1Å
583E45.5Very low49.5Very low176 Ų176136 Ų13682%0.82268%0.683SS**SBendtrans-102.5-4.4-174.6-76-161.9141.300117.9E579E579-E583 PolarHBondContact O-N 3.06Å
584D39.8Very low48.1Very low147 Ų147132 Ų13279%0.78668%0.681SS**  trans-121.788.3175.4-95.9-32.9000112.8
585L35.8Very low46.8Very low162 Ų162133.6 Ų133.685%0.84869%0.685SS**  trans-137.5105.5158.7-112.8122.2000111.4
586P38.4Very low45.8Very low119 Ų119134.3 Ų134.377%0.77369%0.688SS**  trans-128.6117.3132.323.4-5.8000112.7
587R41.8Very low45.1Very low227 Ų227133.3 Ų133.386%0.85769%0.69SS**  trans30.9116.5145.6-78.9-178.6171.5167.8-1.7120.6
588L39.4Very low45.1Very low156 Ų156134.6 Ų134.682%0.81769%0.693SS**  trans87.3109.4142.1-61.3167.4000118.5
589E36.6Very low45.2Very low168 Ų168131.9 Ų131.979%0.78568%0.684SS**  -168.7134.2108.4-97.2174-179.800110.1D591 S592E589-D591 PolarHBondContact O-N 3.24Å; E589-D591 VanDerWaalsContact O-N 3.08Å; E589-S592 PolarHBondContact O-OG 3.49Å; E589-S592 VanDerWaalsContact O-OG 3.1Å
590E44.8Very low45.6Very low177 Ų177128 Ų12883%0.82767%0.67SS**THydrogen-bonded Turntrans-66-7.3-163.2-81.7176.6136.500116.4
591D42.9Very low46.2Very low164 Ų164127.6 Ų127.688%0.87767%0.667SS**THydrogen-bonded Turntrans-89.3-5.6-177.2-85.5-21.1000114.9E589E589-D591 PolarHBondContact O-N 3.24Å; E589-D591 VanDerWaalsContact O-N 3.08Å
592S41.9Very low47Very low61 Ų61130.4 Ų130.443%0.42767%0.669SS.*SBendtrans-98.1-10.8-176.357.50000115.1E589 A594 E595 L596E589-S592 PolarHBondContact O-OG 3.49Å; E589-S592 VanDerWaalsContact O-OG 3.1Å; S592-A594 PolarHBondContact O-N 3.25Å; S592-E595 PolarHBondContact O-N 2.93Å; S592-L596 PolarHBondContact O-N 3.16Å
593L42.8Very low47.7Very low126 Ų126131.7 Ų131.766%0.6667%0.667SS**Hα-helixtrans-69.7-30.4-174.3-84.7162.9000113.8D597L593-D597 WeakPolarHBondContact O-CB 3.1Å; L593-D597 PolarHBondContact O-N 2.88Å
594A47.9Very low48.5Very low82 Ų82132.2 Ų132.268%0.67866%0.662SS**Hα-helixtrans-73.7-31.2-179.500000112.7S592 S598S592-A594 PolarHBondContact O-N 3.25Å; A594-S598 WeakPolarHBondContact O-CB 3.45Å; A594-S598 PolarHBondContact O-N 2.9Å
595E46Very low49.6Very low149 Ų149128.9 Ų128.970%0.69665%0.647SS**Hα-helixtrans-83.3-37.5-175.5-141.1174.6-171.200111.7S592 S598 T599S592-E595 PolarHBondContact O-N 2.93Å; E595-S598 PolarHBondContact O-N 3.22Å; E595-S598 PolarHBondContact O-OG 2.94Å; E595-T599 WeakPolarHBondContact O-CG2 3.25Å; E595-T599 PolarHBondContact O-N 3.02Å; E595-T599 PolarHBondContact O-OG1 3.43Å
596L48Very low51Low107 Ų107126.9 Ų126.956%0.5663%0.634SS**Hα-helixtrans-64.9-44.2172.5-101.9121.2000112.4S592 S598 T599 V600S592-L596 PolarHBondContact O-N 3.16Å; L596-S598 VanDerWaalsContact C-N 3.28Å; L596-S598 PolarHBondContact O-N 3.17Å; L596-T599 PolarHBondContact O-N 3.44Å; L596-T599 PolarHBondContact O-OG1 2.79Å; L596-V600 WeakPolarHBondContact O-CG2 3.42Å; L596-V600 PolarHBondContact O-N 3.37Å
597D53.5Low52.1Low114 Ų114124 Ų12461%0.6162%0.62SS**Hα-helixtrans-65.5-34.7178.8-158.925.6000111.3L593 T599 L601L593-D597 WeakPolarHBondContact O-CB 3.1Å; L593-D597 PolarHBondContact O-N 2.88Å; D597-T599 PolarHBondContact O-N 2.86Å; D597-L601 WeakPolarHBondContact O-CB 3.41Å; D597-L601 PolarHBondContact O-N 3.33Å
598S54.9Low53.2Low62 Ų62114.8 Ų114.843%0.43459%0.593SS.*Hα-helixtrans-64.7-38.7175.185.10000113.1A594 E595 L596 R602A594-S598 WeakPolarHBondContact O-CB 3.45Å; A594-S598 PolarHBondContact O-N 2.9Å; E595-S598 PolarHBondContact O-N 3.22Å; E595-S598 PolarHBondContact O-OG 2.94Å; L596-S598 VanDerWaalsContact C-N 3.28Å; L596-S598 PolarHBondContact O-N 3.17Å; S598-R602 WeakPolarHBondContact O-CB 3.48Å; S598-R602 PolarHBondContact O-N 3.44Å
599T54.7Low54.2Low63 Ų63109.2 Ų109.239%0.38757%0.569SS.*Hα-helixtrans-78.8-36-177.857.90000111.8E595 L596 D597 R602 R603E595-T599 WeakPolarHBondContact O-CG2 3.25Å; E595-T599 PolarHBondContact O-N 3.02Å; E595-T599 PolarHBondContact O-OG1 3.43Å; L596-T599 PolarHBondContact O-N 3.44Å; L596-T599 PolarHBondContact O-OG1 2.79Å; D597-T599 PolarHBondContact O-N 2.86Å; T599-R602 PolarHBondContact O-N 3.29Å; T599-R603 WeakPolarHBondContact O-CG 3.34Å; T599-R603 PolarHBondContact O-N 3Å
600V59.8Low55.3Low46 Ų46103.5 Ų103.528%0.27955%0.551SS.*Hα-helixtrans-67.7-43.8172.7174.20000110.6L596 R602 R603 R604L596-V600 WeakPolarHBondContact O-CG2 3.42Å; L596-V600 PolarHBondContact O-N 3.37Å; V600-R602 VanDerWaalsContact C-N 3.31Å; V600-R602 PolarHBondContact O-N 2.84Å; V600-R603 PolarHBondContact O-N 2.99Å; V600-R604 PolarHBondContact O-N 3.46Å
601L62.4Low56.1Low105 Ų105100.9 Ų100.955%0.5554%0.539SS..Hα-helixtrans-62.7-38.1173.4-169.870.4000111.4D597 R604 T605D597-L601 WeakPolarHBondContact O-CB 3.41Å; D597-L601 PolarHBondContact O-N 3.33Å; L601-R604 PolarHBondContact O-N 3.5Å; L601-T605 WeakPolarHBondContact O-CB 3.38Å; L601-T605 VanDerWaalsContact O-CG2 3.27Å; L601-T605 WeakPolarHBondContact O-CG2 3.48Å; L601-T605 PolarHBondContact O-N 3.15Å; L601-T605 PolarHBondContact O-OG1 2.87Å
602R62.1Low56.9Low169 Ų169101.5 Ų101.564%0.63853%0.529SS*.Hα-helixtrans-65.9-39.4175-165.8175.9-166.3-1793.9112.5S598 T599 V600 T605 M606S598-R602 WeakPolarHBondContact O-CB 3.48Å; S598-R602 PolarHBondContact O-N 3.44Å; T599-R602 PolarHBondContact O-N 3.29Å; V600-R602 VanDerWaalsContact C-N 3.31Å; V600-R602 PolarHBondContact O-N 2.84Å; R602-T605 VanDerWaalsContact CA-OG1 3.28Å; R602-T605 WeakPolarHBondContact CA-OG1 3.32Å; R602-T605 PolarHBondContact O-OG1 3.42Å; R602-M606 HydrophobicContact CG-CE 3.93Å; R602-M606 WeakPolarHBondContact O-CB 3.33Å; R602-M606 WeakPolarHBondContact O-CG 3.44Å; R602-M606 PolarHBondContact O-N 3.34Å
603R63.1Low57.6Low185 Ų185107.9 Ų107.970%0.69854%0.543SS*.Hα-helixtrans-67.8-43.8174.3-74.9-176.3-156.6-178.38.1111.7T599 V600 M606 A607T599-R603 WeakPolarHBondContact O-CG 3.34Å; T599-R603 PolarHBondContact O-N 3Å; V600-R603 PolarHBondContact O-N 2.99Å; R603-M606 PolarHBondContact O-N 3.31Å; R603-A607 WeakPolarHBondContact O-CB 3.31Å; R603-A607 PolarHBondContact O-N 3.15Å
604R61.7Low58Low188 Ų188105.4 Ų105.471%0.70953%0.529SS*.Hα-helixtrans-64.2-40.3176.5-81.3-175.9169174-1.4112.8V600 L601 A607 A608V600-R604 PolarHBondContact O-N 3.46Å; L601-R604 PolarHBondContact O-N 3.5Å; R604-A607 PolarHBondContact O-N 3.4Å; R604-A608 WeakPolarHBondContact O-CB 3.1Å; R604-A608 PolarHBondContact O-N 3.43Å
605T63.7Low58.3Low77 Ų77107.3 Ų107.347%0.47252%0.524SS..Hα-helixtrans-68.6-37.3176.247.70000112.2L601 R602 A609L601-T605 WeakPolarHBondContact O-CB 3.38Å; L601-T605 VanDerWaalsContact O-CG2 3.27Å; L601-T605 WeakPolarHBondContact O-CG2 3.48Å; L601-T605 PolarHBondContact O-N 3.15Å; L601-T605 PolarHBondContact O-OG1 2.87Å; R602-T605 VanDerWaalsContact CA-OG1 3.28Å; R602-T605 WeakPolarHBondContact CA-OG1 3.32Å; R602-T605 PolarHBondContact O-OG1 3.42Å; T605-A609 WeakPolarHBondContact O-CB 3.06Å; T605-A609 PolarHBondContact O-N 3.31Å
606M64.7Low58.5Low120 Ų120108.3 Ų108.359%0.59153%0.528SS*.Hα-helixtrans-68.8-38.1173-73.6-149.5-119.700112.8R602 R603 A609 A610R602-M606 HydrophobicContact CG-CE 3.93Å; R602-M606 WeakPolarHBondContact O-CB 3.33Å; R602-M606 WeakPolarHBondContact O-CG 3.44Å; R602-M606 PolarHBondContact O-N 3.34Å; R603-M606 PolarHBondContact O-N 3.31Å; M606-A609 PolarHBondContact O-N 3.42Å; M606-A610 WeakPolarHBondContact O-CB 3.4Å; M606-A610 PolarHBondContact O-N 3.42Å
607A62.6Low58.6Low58 Ų58111.2 Ų111.248%0.47954%0.539SS..Hα-helixtrans-63-47.4173.300000111.6R603 R604 A609 A610 E611R603-A607 WeakPolarHBondContact O-CB 3.31Å; R603-A607 PolarHBondContact O-N 3.15Å; R604-A607 PolarHBondContact O-N 3.4Å; A607-A609 VanDerWaalsContact C-N 3.31Å; A607-A609 PolarHBondContact O-N 3.43Å; A607-A610 PolarHBondContact O-N 3.15Å; A607-E611 WeakPolarHBondContact O-CB 3.42Å; A607-E611 PolarHBondContact O-N 2.86Å
608A63.1Low58.1Low33 Ų33113.3 Ų113.327%0.27355%0.545SS..Hα-helixtrans-67.4-27.7176.900000113.5R604 R612R604-A608 WeakPolarHBondContact O-CB 3.1Å; R604-A608 PolarHBondContact O-N 3.43Å; A608-R612 WeakPolarHBondContact O-CG 3.22Å; A608-R612 PolarHBondContact O-N 3.42Å
609A61.9Low57.4Low40 Ų40116.6 Ų116.633%0.33156%0.558SS.*Hα-helixtrans-75.6-34.8172.900000112.1T605 M606 A607 R613T605-A609 WeakPolarHBondContact O-CB 3.06Å; T605-A609 PolarHBondContact O-N 3.31Å; M606-A609 PolarHBondContact O-N 3.42Å; A607-A609 VanDerWaalsContact C-N 3.31Å; A607-A609 PolarHBondContact O-N 3.43Å; A609-R613 WeakPolarHBondContact O-CG 3.41Å; A609-R613 PolarHBondContact O-N 3.34Å
610A59.7Low57Low47 Ų47119.2 Ų119.239%0.38858%0.576SS.*Hα-helixtrans-67.9-39.1172.700000111.5M606 A607 R613 M614M606-A610 WeakPolarHBondContact O-CB 3.4Å; M606-A610 PolarHBondContact O-N 3.42Å; A607-A610 PolarHBondContact O-N 3.15Å; A610-R613 PolarHBondContact O-N 3.37Å; A610-M614 WeakPolarHBondContact O-CG 3.49Å; A610-M614 PolarHBondContact O-N 3.48Å; A610-M614 VanDerWaalsContact O-N 3.08Å
611E60.7Low56.3Low123 Ų123121.4 Ų121.458%0.57560%0.599SS**Hα-helixtrans-64.7-42.1176.9-158.3166.7-148.900112.2A607 R613 M614 Q615A607-E611 WeakPolarHBondContact O-CB 3.42Å; A607-E611 PolarHBondContact O-N 2.86Å; E611-R613 VanDerWaalsContact C-N 3.34Å; E611-R613 PolarHBondContact O-N 3.25Å; E611-M614 PolarHBondContact O-N 3.08Å; E611-Q615 PolarHBondContact O-N 3.35Å; E611-Q615 VanDerWaalsContact O-N 3.08Å
612R59.5Low55.6Low177 Ų177126.1 Ų126.167%0.66864%0.636SS**Hα-helixtrans-64.5-33.4172.8-80-172.9-102.1-167.6-8.7114A608 M614 H616A608-R612 WeakPolarHBondContact O-CG 3.22Å; A608-R612 PolarHBondContact O-N 3.42Å; R612-M614 VanDerWaalsContact C-N 3.34Å; R612-H616 PolarHBondContact O-N 2.69Å
613R56.1Low55.3Low194 Ų194124 Ų12473%0.73264%0.636SS**Hα-helixtrans-71.1-30.5174.5-75.5177.2-176.8171.41.8112.4A609 A610 E611A609-R613 WeakPolarHBondContact O-CG 3.41Å; A609-R613 PolarHBondContact O-N 3.34Å; A610-R613 PolarHBondContact O-N 3.37Å; E611-R613 VanDerWaalsContact C-N 3.34Å; E611-R613 PolarHBondContact O-N 3.25Å
614M51.1Low54.8Low74 Ų74120.8 Ų120.837%0.36563%0.633SS.*Hα-helixtrans-73.6-39.4175.6-71.2-162.5-7400112.2A610 E611 R612 H616 Q617 E618A610-M614 WeakPolarHBondContact O-CG 3.49Å; A610-M614 PolarHBondContact O-N 3.48Å; A610-M614 VanDerWaalsContact O-N 3.08Å; E611-M614 PolarHBondContact O-N 3.08Å; R612-M614 VanDerWaalsContact C-N 3.34Å; M614-H616 PolarHBondContact O-N 2.63Å; M614-Q617 PolarHBondContact O-N 3.42Å; M614-E618 PolarHBondContact O-N 2.74Å
615Q54.5Low54.5Low123 Ų123117.1 Ų117.158%0.57563%0.628SS**Hα-helixtrans-61.4-32.3173.8-73.6176.8-19.400112.8E611 Q617E611-Q615 PolarHBondContact O-N 3.35Å; E611-Q615 VanDerWaalsContact O-N 3.08Å; Q615-Q617 PolarHBondContact O-N 3.4Å
616H51.6Low53.9Low169 Ų169119.4 Ų119.478%0.78264%0.638SS**Hα-helixtrans-74.4-9.1173.8-114.242.1000114.5R612 M614R612-H616 PolarHBondContact O-N 2.69Å; M614-H616 PolarHBondContact O-N 2.63Å
617Q48.8Very low53.2Low168 Ų168119.4 Ų119.479%0.78564%0.64SS**Hα-helixtrans-104.8-8.7-178.7-151.5158.613.700112.5M614 Q615M614-Q617 PolarHBondContact O-N 3.42Å; Q615-Q617 PolarHBondContact O-N 3.4Å
618E44.5Very low52.6Low159 Ų159123.5 Ų123.574%0.74365%0.651SS**Hα-helixtrans-100.8-9.5177.1-74.8-178.1128.100114.3M614 P620M614-E618 PolarHBondContact O-N 2.74Å; E618-P620 VanDerWaalsContact O-CD 3.3Å; E618-P620 WeakPolarHBondContact O-CD 3.44Å
619D38.4Very low51.9Low131 Ų131129.9 Ų129.970%0.70168%0.678SS**  trans-90.9110.8172.1-81.8-26.6000110.9A621D619-A621 PolarHBondContact O-N 3.27Å
620P46.4Very low51.1Low117 Ų117136.8 Ų136.876%0.7671%0.705SS**  trans-68.5129.3161.729.6-28.9000107.6E618E618-P620 VanDerWaalsContact O-CD 3.3Å; E618-P620 WeakPolarHBondContact O-CD 3.44Å
621A44.8Very low50.4Low92 Ų92144.3 Ų144.376%0.7673%0.731SS**  trans-52.6141.2171.200000110.2D619D619-A621 PolarHBondContact O-N 3.27Å
622P48.2Very low49.4Very low205 Ų205146.3 Ų146.3100%1.33175%0.746SS**  trans-63.40-17827-35.2000113.7

Retrieved 622 of 622 residues in 253.3 ms (Link to these results)

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