A0A5K4FDA2_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 813 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
1M37Very low54.9Low194 Ų194108.5 Ų108.596%0.95658%0.582SS**  082.20-73.4-168.6-16500108.3Y3M1-Y3 HydrophobicContact CB-CD2 4.05Å; M1-Y3 HydrophobicContact CB-CE2 3.62Å; M1-Y3 HydrophobicContact CG-CE2 3.83Å; M1-Y3 PolarHBondContact O-N 3.26Å; M1-Y3 HydrophobicContact SD-CE2 3.46Å; M1-Y3 WeakPolarHBondContact SD-CE2 3.33Å; M1-Y3 PolarHBondContact SD-OH 3.16Å; M1-Y3 VanDerWaalsContact SD-OH 3.35Å
2N32.5Very low57.4Low163 Ų163112.3 Ų112.387%0.87259%0.59SS**  trans-94.484168.5-79-9.8000106.8T4N2-T4 PolarHBondContact O-N 3.3Å; N2-T4 VanDerWaalsContact O-N 3.1Å
3Y43.2Very low59.5Low169 Ų169107.6 Ų107.666%0.66357%0.569SS**  trans-76.993.9171.5-62.6-74.1000107.7M1 F5M1-Y3 HydrophobicContact CB-CD2 4.05Å; M1-Y3 HydrophobicContact CB-CE2 3.62Å; M1-Y3 HydrophobicContact CG-CE2 3.83Å; M1-Y3 PolarHBondContact O-N 3.26Å; M1-Y3 HydrophobicContact SD-CE2 3.46Å; M1-Y3 WeakPolarHBondContact SD-CE2 3.33Å; M1-Y3 PolarHBondContact SD-OH 3.16Å; M1-Y3 VanDerWaalsContact SD-OH 3.35Å; Y3-F5 PolarHBondContact O-N 3.45Å; Y3-F5 VanDerWaalsContact O-N 3.17Å
4T45.8Very low61.3Low125 Ų125101.5 Ų101.577%0.76754%0.538SS*.  trans-61.5116.8166.641.60000108.2N2 A6N2-T4 PolarHBondContact O-N 3.3Å; N2-T4 VanDerWaalsContact O-N 3.1Å; T4-A6 PolarHBondContact O-N 3.39Å
5F51.5Low63Low171 Ų17199.1 Ų99.175%0.7553%0.533SS*.  trans-60.275.8174.5-106.7-99.3000110.5Y3 S7 L77Y3-F5 PolarHBondContact O-N 3.45Å; Y3-F5 VanDerWaalsContact O-N 3.17Å; F5-S7 VanDerWaalsContact C-N 3.32Å; F5-S7 PolarHBondContact O-N 2.96Å; F5-S7 VanDerWaalsContact O-N 3.15Å; F5-L77 HydrophobicContact CD1-CD2 4.42Å; F5-L77 HydrophobicContact CE1-CD2 3.51Å; F5-L77 HydrophobicContact CZ-CD2 3.83Å
6A49.7Very low64.7Low67 Ų6797.3 Ų97.355%0.55452%0.521SS*.  trans-82.484.116700000107.6T4 I8T4-A6 PolarHBondContact O-N 3.39Å; A6-I8 PolarHBondContact O-N 3.33Å
7S55.4Low66.1Low31 Ų3194.5 Ų94.522%0.21751%0.506CS..  trans-56.1137166.556.50000108.4F5 F9 T14F5-S7 VanDerWaalsContact C-N 3.32Å; F5-S7 PolarHBondContact O-N 2.96Å; F5-S7 VanDerWaalsContact O-N 3.15Å; S7-F9 PolarHBondContact O-N 3.24Å; S7-F9 PolarHBondContact OG-O 3.41Å; S7-T14 PolarHBondContact OG-OG1 3.39Å
8I62.8Low67.5Low68 Ų6890.6 Ų90.635%0.34949%0.489SS..SBendtrans-53.6-24.2-179.2-66.2178.6000112.3A6 L452A6-I8 PolarHBondContact O-N 3.33Å; I8-L452 HydrophobicContact CG1-CD2 4.24Å
9F68Low68.9Low28 Ų2891.7 Ų91.712%0.12349%0.494CS..SBendtrans-109.6152.7-178.6-63-86.2000111.8S7 T13 T14 I17 H771S7-F9 PolarHBondContact O-N 3.24Å; S7-F9 PolarHBondContact OG-O 3.41Å; F9-T13 WeakPolarHBondContact CB-OG1 3.24Å; F9-T14 WeakPolarHBondContact CB-OG1 3.49Å; F9-T14 PolarHBondContact O-OG1 3.47Å; F9-I17 HydrophobicContact CD1-CD1 4.28Å; F9-I17 HydrophobicContact CD2-CD1 4.26Å; F9-I17 HydrophobicContact CE1-CD1 4.26Å; F9-I17 HydrophobicContact CE2-CD1 4.3Å; F9-I17 HydrophobicContact CG-CD1 4.27Å; F9-I17 HydrophobicContact CZ-CD1 4.29Å; F9-H771 AromaticContact CE1-CE1 3.32Å; F9-H771 WeakPolarHBondContact CE1-CE1 3.31Å; F9-H771 AromaticContact CE1-ND1 3.69Å; F9-H771 AromaticContact CZ-CE1 3.58Å; F9-H771 AromaticContact CZ-ND1 3.73Å
10P78.2Confident70.1Confident75 Ų7592.9 Ų92.949%0.48750%0.499SS..  trans-47.4144.4163-25.731000111F12 T13 T14P10-F12 PolarHBondContact O-N 3.31Å; P10-T13 WeakPolarHBondContact CB-OG1 3.34Å; P10-T13 WeakPolarHBondContact CD-OG1 3.06Å; P10-T13 PolarHBondContact O-N 3.31Å; P10-T13 PolarHBondContact O-OG1 2.62Å; P10-T14 PolarHBondContact O-N 3.48Å; P10-T14 PolarHBondContact O-OG1 3.31Å
11P79.7Confident71.2Confident102 Ų10288.7 Ų88.766%0.66248%0.477SS*.Hα-helixtrans-56.7-33.7-172.320.5-32.8000112.9S15P11-S15 WeakPolarHBondContact O-CB 3.33Å; P11-S15 PolarHBondContact O-N 3.42Å; P11-S15 PolarHBondContact O-OG 3.13Å
12F85.5Confident73.9Confident155 Ų15582.3 Ų82.368%0.6845%0.45SS*.Hα-helixtrans-63.5-49175.5-178.3-108.3000112.8P10 S15 I16P10-F12 PolarHBondContact O-N 3.31Å; F12-S15 WeakPolarHBondContact O-CB 3.38Å; F12-S15 PolarHBondContact O-N 3.12Å; F12-I16 HydrophobicContact CD1-CD1 3.77Å; F12-I16 HydrophobicContact CE1-CD1 3.3Å; F12-I16 HydrophobicContact CE1-CG1 4.48Å; F12-I16 HydrophobicContact CE2-CD1 4.19Å; F12-I16 HydrophobicContact CG-CD1 4.4Å; F12-I16 HydrophobicContact CZ-CD1 3.55Å; F12-I16 HydrophobicContact CZ-CG1 4.45Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 3.36Å
13T84.6Confident76.9Confident51 Ų5178.6 Ų78.631%0.31343%0.433SS..Hα-helixtrans-65.7-39.6177.2360000112.2F9 P10 S15 I16 I17F9-T13 WeakPolarHBondContact CB-OG1 3.24Å; P10-T13 WeakPolarHBondContact CB-OG1 3.34Å; P10-T13 WeakPolarHBondContact CD-OG1 3.06Å; P10-T13 PolarHBondContact O-N 3.31Å; P10-T13 PolarHBondContact O-OG1 2.62Å; T13-S15 VanDerWaalsContact C-N 3.29Å; T13-S15 PolarHBondContact O-N 2.84Å; T13-I16 PolarHBondContact O-N 3.32Å; T13-I17 VanDerWaalsContact O-CG1 3.3Å; T13-I17 WeakPolarHBondContact O-CG1 3.36Å; T13-I17 PolarHBondContact O-N 3.31Å
14T84.1Confident79.4Confident22 Ų2271.9 Ų71.914%0.13541%0.409CS..Hα-helixtrans-57.8-44.5172.7-52.60000110.9S7 F9 P10 I17 A18 L76S7-T14 PolarHBondContact OG-OG1 3.39Å; F9-T14 WeakPolarHBondContact CB-OG1 3.49Å; F9-T14 PolarHBondContact O-OG1 3.47Å; P10-T14 PolarHBondContact O-N 3.48Å; P10-T14 PolarHBondContact O-OG1 3.31Å; T14-I17 PolarHBondContact O-N 3.48Å; T14-A18 WeakPolarHBondContact O-CB 3.45Å; T14-A18 PolarHBondContact O-N 3Å; T14-L76 HydrophobicContact CG2-CD2 3.65Å
15S87.4Confident81.8Confident66 Ų6666.2 Ų66.246%0.46238%0.375SS..Hα-helixtrans-63.7-42.3179-58.70000112.1P11 F12 T13 A18 L19P11-S15 WeakPolarHBondContact O-CB 3.33Å; P11-S15 PolarHBondContact O-N 3.42Å; P11-S15 PolarHBondContact O-OG 3.13Å; F12-S15 WeakPolarHBondContact O-CB 3.38Å; F12-S15 PolarHBondContact O-N 3.12Å; T13-S15 VanDerWaalsContact C-N 3.29Å; T13-S15 PolarHBondContact O-N 2.84Å; S15-A18 PolarHBondContact O-N 3.03Å; S15-L19 WeakPolarHBondContact O-CB 3.44Å; S15-L19 VanDerWaalsContact O-CG 3.3Å; S15-L19 WeakPolarHBondContact O-CG 3.49Å; S15-L19 PolarHBondContact O-N 3.48Å
16I90.2Very high83.9Confident69 Ų6962.5 Ų62.535%0.35437%0.366SS..Hα-helixtrans-63.8-47.6176.1-69168.1000111.1F12 T13 A18 L19 L20F12-I16 HydrophobicContact CD1-CD1 3.77Å; F12-I16 HydrophobicContact CE1-CD1 3.3Å; F12-I16 HydrophobicContact CE1-CG1 4.48Å; F12-I16 HydrophobicContact CE2-CD1 4.19Å; F12-I16 HydrophobicContact CG-CD1 4.4Å; F12-I16 HydrophobicContact CZ-CD1 3.55Å; F12-I16 HydrophobicContact CZ-CG1 4.45Å; F12-I16 WeakPolarHBondContact O-CG1 3.44Å; F12-I16 PolarHBondContact O-N 3.36Å; T13-I16 PolarHBondContact O-N 3.32Å; I16-A18 VanDerWaalsContact C-N 3.32Å; I16-A18 PolarHBondContact O-N 3.04Å; I16-L19 PolarHBondContact O-N 3.5Å; I16-L20 HydrophobicContact CG2-CD1 3.8Å; I16-L20 HydrophobicContact CG2-CG 4.27Å; I16-L20 WeakPolarHBondContact O-CG 3.02Å; I16-L20 PolarHBondContact O-N 3.26Å
17I88Confident86Confident50 Ų5061.5 Ų61.526%0.25636%0.358SS..Hα-helixtrans-60.3-45.2179.3-67.8166.5000109.9F9 T13 T14 L19 L20 A21F9-I17 HydrophobicContact CD1-CD1 4.28Å; F9-I17 HydrophobicContact CD2-CD1 4.26Å; F9-I17 HydrophobicContact CE1-CD1 4.26Å; F9-I17 HydrophobicContact CE2-CD1 4.3Å; F9-I17 HydrophobicContact CG-CD1 4.27Å; F9-I17 HydrophobicContact CZ-CD1 4.29Å; T13-I17 VanDerWaalsContact O-CG1 3.3Å; T13-I17 WeakPolarHBondContact O-CG1 3.36Å; T13-I17 PolarHBondContact O-N 3.31Å; T14-I17 PolarHBondContact O-N 3.48Å; I17-L19 PolarHBondContact O-N 3.13Å; I17-L20 PolarHBondContact O-N 3.29Å; I17-A21 WeakPolarHBondContact O-CB 3.46Å; I17-A21 PolarHBondContact O-N 3.34Å
18A91.5Very high88Confident24 Ų2460 Ų6020%0.19835%0.348CS..Hα-helixtrans-58.6-47.9176.800000111.9T14 S15 I16 T22 L76T14-A18 WeakPolarHBondContact O-CB 3.45Å; T14-A18 PolarHBondContact O-N 3Å; S15-A18 PolarHBondContact O-N 3.03Å; I16-A18 VanDerWaalsContact C-N 3.32Å; I16-A18 PolarHBondContact O-N 3.04Å; A18-T22 VanDerWaalsContact O-CB 3.31Å; A18-T22 WeakPolarHBondContact O-CB 3.41Å; A18-T22 WeakPolarHBondContact O-CG2 3.39Å; A18-T22 PolarHBondContact O-N 2.71Å; A18-T22 PolarHBondContact O-OG1 3.46Å; A18-L76 HydrophobicContact CB-CD1 3.97Å; A18-L76 HydrophobicContact CB-CD2 3.87Å
19L93.5Very high89.6Confident113 Ų11359.2 Ų59.259%0.59234%0.344SS*.Hα-helixtrans-63.1-46.4179.5-74.9169.8000112.4S15 I16 I17 T22 T23S15-L19 WeakPolarHBondContact O-CB 3.44Å; S15-L19 VanDerWaalsContact O-CG 3.3Å; S15-L19 WeakPolarHBondContact O-CG 3.49Å; S15-L19 PolarHBondContact O-N 3.48Å; I16-L19 PolarHBondContact O-N 3.5Å; I17-L19 PolarHBondContact O-N 3.13Å; L19-T22 PolarHBondContact O-OG1 3.38Å; L19-T22 VanDerWaalsContact O-OG1 3.07Å; L19-T23 WeakPolarHBondContact O-CB 3.34Å; L19-T23 PolarHBondContact O-N 3.34Å; L19-T23 PolarHBondContact O-OG1 3.29Å
20L93.4Very high90.8Very high114 Ų11459.6 Ų59.660%0.59736%0.356SS*.Hα-helixtrans-64.4-47.4178.7-69.4176.3000111.2I16 I17 T23 V24I16-L20 HydrophobicContact CG2-CD1 3.8Å; I16-L20 HydrophobicContact CG2-CG 4.27Å; I16-L20 WeakPolarHBondContact O-CG 3.02Å; I16-L20 PolarHBondContact O-N 3.26Å; I17-L20 PolarHBondContact O-N 3.29Å; L20-T23 WeakPolarHBondContact O-CB 3.42Å; L20-T23 PolarHBondContact O-N 3.41Å; L20-V24 WeakPolarHBondContact O-CG2 3.33Å; L20-V24 PolarHBondContact O-N 3.26Å
21A93.4Very high91.6Very high5 Ų556.7 Ų56.74%0.04134%0.34CS..Hα-helixtrans-65.7-42.1-177.600000112.7I17 T23 V24 S25 I72 W778I17-A21 WeakPolarHBondContact O-CB 3.46Å; I17-A21 PolarHBondContact O-N 3.34Å; A21-T23 VanDerWaalsContact C-N 3.34Å; A21-V24 PolarHBondContact O-N 3.44Å; A21-S25 WeakPolarHBondContact O-CB 3.35Å; A21-S25 PolarHBondContact O-N 2.8Å; A21-I72 HydrophobicContact CB-CD1 3.69Å; A21-I72 HydrophobicContact CB-CG1 3.59Å; A21-W778 HydrophobicContact CB-CH2 3.43Å; A21-W778 VanDerWaalsContact CB-CH2 3.43Å; A21-W778 HydrophobicContact CB-CZ2 3.47Å; A21-W778 VanDerWaalsContact CB-CZ2 3.47Å; A21-W778 HydrophobicContact CB-CZ3 4.19Å
22T93.8Very high92.4Very high61 Ų6151.9 Ų51.937%0.37431%0.308SS..Hα-helixtrans-66.5-35.8174.752.30000112.1A18 L19 S25 T26 I72A18-T22 VanDerWaalsContact O-CB 3.31Å; A18-T22 WeakPolarHBondContact O-CB 3.41Å; A18-T22 WeakPolarHBondContact O-CG2 3.39Å; A18-T22 PolarHBondContact O-N 2.71Å; A18-T22 PolarHBondContact O-OG1 3.46Å; L19-T22 PolarHBondContact O-OG1 3.38Å; L19-T22 VanDerWaalsContact O-OG1 3.07Å; T22-S25 PolarHBondContact O-N 3.31Å; T22-T26 WeakPolarHBondContact O-CB 3.49Å; T22-T26 VanDerWaalsContact O-CG2 3.32Å; T22-T26 WeakPolarHBondContact O-CG2 3.35Å; T22-T26 PolarHBondContact O-N 2.94Å; T22-T26 PolarHBondContact O-OG1 3.19Å; T22-I72 HydrophobicContact CG2-CD1 4.39Å
23T94.7Very high92.9Very high84 Ų8447.7 Ų47.752%0.51529%0.292SS..Hα-helixtrans-63.4-43.5173-58.70000111.4L19 L20 A21 T26 A27L19-T23 WeakPolarHBondContact O-CB 3.34Å; L19-T23 PolarHBondContact O-N 3.34Å; L19-T23 PolarHBondContact O-OG1 3.29Å; L20-T23 WeakPolarHBondContact O-CB 3.42Å; L20-T23 PolarHBondContact O-N 3.41Å; A21-T23 VanDerWaalsContact C-N 3.34Å; T23-T26 WeakPolarHBondContact CA-OG1 3.32Å; T23-T26 PolarHBondContact O-OG1 2.97Å; T23-A27 VanDerWaalsContact O-CB 3.26Å; T23-A27 WeakPolarHBondContact O-CB 3.43Å; T23-A27 PolarHBondContact O-N 3.17Å
24V95.3Very high93.3Very high28 Ų2846.4 Ų46.417%0.1728%0.284CS..Hα-helixtrans-63.4-45.1176170.70000111.2L20 A21 A27 T28 M68 W778 M782 P785L20-V24 WeakPolarHBondContact O-CG2 3.33Å; L20-V24 PolarHBondContact O-N 3.26Å; A21-V24 PolarHBondContact O-N 3.44Å; V24-A27 PolarHBondContact O-N 3.02Å; V24-T28 WeakPolarHBondContact O-CB 3.27Å; V24-T28 PolarHBondContact O-N 3.26Å; V24-T28 PolarHBondContact O-OG1 3.47Å; V24-M68 HydrophobicContact CG1-CE 4.16Å; V24-M68 HydrophobicContact CG1-SD 4.2Å; V24-W778 HydrophobicContact CB-CZ3 4.47Å; V24-W778 HydrophobicContact CG1-CE3 4.49Å; V24-W778 HydrophobicContact CG1-CZ3 4.21Å; V24-M782 HydrophobicContact CB-SD 4.42Å; V24-M782 HydrophobicContact CG1-SD 3.73Å; V24-M782 HydrophobicContact CG2-SD 3.71Å; V24-P785 HydrophobicContact CG1-CG 4.29Å
25S96.4Very high93.7Very high6 Ų645.7 Ų45.74%0.04228%0.28CS..Hα-helixtrans-59.1-49.7177.2177.30000112A21 T22 T28 L29 G64 N69A21-S25 WeakPolarHBondContact O-CB 3.35Å; A21-S25 PolarHBondContact O-N 2.8Å; T22-S25 PolarHBondContact O-N 3.31Å; S25-T28 WeakPolarHBondContact O-CB 3.42Å; S25-T28 PolarHBondContact O-N 3.08Å; S25-L29 PolarHBondContact O-N 3.04Å; S25-G64 PolarHBondContact OG-O 3.25Å; S25-G64 VanDerWaalsContact OG-O 3.08Å; S25-N69 PolarHBondContact OG-OD1 3.48Å
26T95.4Very high94.1Very high93 Ų9343.4 Ų43.457%0.57126%0.263SS*.Hα-helixtrans-66.3-40.8179.451.80000113T22 T23 T28 L29 G30T22-T26 WeakPolarHBondContact O-CB 3.49Å; T22-T26 VanDerWaalsContact O-CG2 3.32Å; T22-T26 WeakPolarHBondContact O-CG2 3.35Å; T22-T26 PolarHBondContact O-N 2.94Å; T22-T26 PolarHBondContact O-OG1 3.19Å; T23-T26 WeakPolarHBondContact CA-OG1 3.32Å; T23-T26 PolarHBondContact O-OG1 2.97Å; T26-T28 VanDerWaalsContact C-N 3.32Å; T26-T28 PolarHBondContact O-N 3.1Å; T26-L29 PolarHBondContact O-N 3.07Å; T26-G30 PolarHBondContact O-N 3.08Å
27A95.1Very high94.2Very high46 Ų4643 Ų4338%0.3826%0.261SS..Hα-helixtrans-62.9-39.8174.600000111.9T23 V24 G31T23-A27 VanDerWaalsContact O-CB 3.26Å; T23-A27 WeakPolarHBondContact O-CB 3.43Å; T23-A27 PolarHBondContact O-N 3.17Å; V24-A27 PolarHBondContact O-N 3.02Å; A27-G31 PolarHBondContact O-N 3.38Å
28T96.9Very high94.4Very high0 Ų040.8 Ų40.80%025%0.25CC..Hα-helixtrans-62.4-50.6176.5-58.70000111.1V24 S25 T26 N32 D60 M68 P785V24-T28 WeakPolarHBondContact O-CB 3.27Å; V24-T28 PolarHBondContact O-N 3.26Å; V24-T28 PolarHBondContact O-OG1 3.47Å; S25-T28 WeakPolarHBondContact O-CB 3.42Å; S25-T28 PolarHBondContact O-N 3.08Å; T26-T28 VanDerWaalsContact C-N 3.32Å; T26-T28 PolarHBondContact O-N 3.1Å; T28-N32 WeakPolarHBondContact O-CB 3.44Å; T28-N32 PolarHBondContact O-N 3.46Å; T28-N32 VanDerWaalsContact O-N 3.16Å; T28-N32 PolarHBondContact O-ND2 2.91Å; T28-D60 WeakPolarHBondContact CG2-O 3.37Å; T28-M68 HydrophobicContact CG2-CE 4.04Å; T28-M68 HydrophobicContact CG2-SD 4.42Å; T28-M68 WeakPolarHBondContact OG1-CE 3.3Å; T28-P785 WeakPolarHBondContact OG1-CB 3.41Å; T28-P785 VanDerWaalsContact OG1-CD 3.29Å; T28-P785 WeakPolarHBondContact OG1-CD 3.33Å
29L96.6Very high94.5Very high51 Ų5140.2 Ų40.227%0.26724%0.242SC..Hα-helixtrans-63-52.7-179.2-174.164.3000110.9S25 T26 I33 V61 L65S25-L29 PolarHBondContact O-N 3.04Å; T26-L29 PolarHBondContact O-N 3.07Å; L29-I33 HydrophobicContact CD1-CD1 3.71Å; L29-I33 HydrophobicContact CD1-CG1 4.29Å; L29-I33 HydrophobicContact CG-CD1 3.71Å; L29-I33 VanDerWaalsContact O-CB 3.31Å; L29-I33 WeakPolarHBondContact O-CB 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.36Å; L29-I33 PolarHBondContact O-N 3.41Å; L29-V61 HydrophobicContact CD1-CG1 3.99Å; L29-L65 HydrophobicContact CD1-CB 4.45Å
30G94.1Very high94.4Very high36 Ų3641.2 Ų41.237%0.37124%0.242SC..Hα-helixtrans-61.2-48.7-178.700000112.7T26 N32 I33 V34T26-G30 PolarHBondContact O-N 3.08Å; G30-N32 PolarHBondContact O-N 2.87Å; G30-I33 PolarHBondContact O-N 2.92Å; G30-V34 VanDerWaalsContact O-CG2 3.31Å; G30-V34 WeakPolarHBondContact O-CG2 3.33Å; G30-V34 PolarHBondContact O-N 2.92Å
31G94Very high94.2Very high15 Ų1538.3 Ų38.316%0.15523%0.227CC..Hα-helixtrans-61.8-44.7-178.200000113A27 V34 V35 P788A27-G31 PolarHBondContact O-N 3.38Å; G31-V34 PolarHBondContact O-N 2.9Å; G31-V35 WeakPolarHBondContact O-CG2 3.44Å; G31-V35 PolarHBondContact O-N 3.39Å; G31-P788 VanDerWaalsContact C-CG 3.41Å
32N96.2Very high93.9Very high0 Ų039.1 Ų39.10%023%0.23CC..Hα-helixtrans-78.6-30.2-177.8-70.2-66.9000113.1T28 G30 V34 V35 L36 A57 D60 V61 S784T28-N32 WeakPolarHBondContact O-CB 3.44Å; T28-N32 PolarHBondContact O-N 3.46Å; T28-N32 VanDerWaalsContact O-N 3.16Å; T28-N32 PolarHBondContact O-ND2 2.91Å; G30-N32 PolarHBondContact O-N 2.87Å; N32-V34 VanDerWaalsContact C-N 3.33Å; N32-V34 PolarHBondContact O-N 3.38Å; N32-V35 PolarHBondContact O-N 3.31Å; N32-L36 WeakPolarHBondContact O-CG 3.36Å; N32-L36 PolarHBondContact O-N 3.38Å; N32-A57 HydrophobicContact CB-CB 4.23Å; N32-D60 HydrophobicContact CB-CB 4.12Å; N32-D60 VanDerWaalsContact CG-CB 3.47Å; N32-D60 WeakPolarHBondContact ND2-CB 3.44Å; N32-D60 PolarHBondContact OD1-OD2 2.86Å; N32-V61 HydrophobicContact CB-CG2 3.84Å; N32-S784 PolarHBondContact ND2-O 2.84Å
33I95.8Very high93.7Very high68 Ų6842.9 Ų42.935%0.34924%0.237SC..Hα-helixtrans-60.2-44.3167.7-73.5172.4000110.5L29 G30 V35 L36 I37 V61L29-I33 HydrophobicContact CD1-CD1 3.71Å; L29-I33 HydrophobicContact CD1-CG1 4.29Å; L29-I33 HydrophobicContact CG-CD1 3.71Å; L29-I33 VanDerWaalsContact O-CB 3.31Å; L29-I33 WeakPolarHBondContact O-CB 3.3Å; L29-I33 WeakPolarHBondContact O-CG1 3.36Å; L29-I33 PolarHBondContact O-N 3.41Å; G30-I33 PolarHBondContact O-N 2.92Å; I33-V35 VanDerWaalsContact C-N 3.3Å; I33-V35 PolarHBondContact O-N 2.98Å; I33-L36 PolarHBondContact O-N 2.98Å; I33-L36 VanDerWaalsContact O-N 3.16Å; I33-I37 HydrophobicContact CG2-CD1 3.6Å; I33-I37 HydrophobicContact CG2-CG1 4.14Å; I33-I37 VanDerWaalsContact O-CG1 3.31Å; I33-I37 WeakPolarHBondContact O-CG1 3.29Å; I33-I37 PolarHBondContact O-N 2.66Å; I33-V61 HydrophobicContact CG1-CG2 4Å
34V93Very high93.3Very high24 Ų2442.5 Ų42.515%0.14524%0.238CC..Hα-helixtrans-62.4-38.4177.71750000111.5G30 G31 N32 I37 A38 F802 I805G30-V34 VanDerWaalsContact O-CG2 3.31Å; G30-V34 WeakPolarHBondContact O-CG2 3.33Å; G30-V34 PolarHBondContact O-N 2.92Å; G31-V34 PolarHBondContact O-N 2.9Å; N32-V34 VanDerWaalsContact C-N 3.33Å; N32-V34 PolarHBondContact O-N 3.38Å; V34-I37 PolarHBondContact O-N 3.39Å; V34-A38 VanDerWaalsContact O-CB 3.28Å; V34-A38 WeakPolarHBondContact O-CB 3.47Å; V34-A38 PolarHBondContact O-N 2.88Å; V34-F802 HydrophobicContact CB-CD2 4.39Å; V34-F802 HydrophobicContact CB-CE2 3.97Å; V34-F802 HydrophobicContact CG1-CD2 3.37Å; V34-F802 HydrophobicContact CG1-CE2 3.38Å; V34-F802 HydrophobicContact CG1-CG 4.4Å; V34-F802 HydrophobicContact CG1-CZ 4.44Å; V34-I805 HydrophobicContact CG1-CD1 4.38Å; V34-I805 HydrophobicContact CG1-CG2 4.21Å
35V93.9Very high92.9Very high6 Ų641.3 Ų41.34%0.03623%0.231CC..Hα-helixtrans-61.2-43.7174.3173.30000111.3G31 N32 I33 A38 F39 I53 A57 P788 Y791 F798G31-V35 WeakPolarHBondContact O-CG2 3.44Å; G31-V35 PolarHBondContact O-N 3.39Å; N32-V35 PolarHBondContact O-N 3.31Å; I33-V35 VanDerWaalsContact C-N 3.3Å; I33-V35 PolarHBondContact O-N 2.98Å; V35-A38 PolarHBondContact O-N 2.91Å; V35-F39 PolarHBondContact O-N 3.17Å; V35-I53 HydrophobicContact CG1-CG2 3.99Å; V35-A57 HydrophobicContact CB-CB 4.11Å; V35-A57 HydrophobicContact CG1-CB 3.82Å; V35-P788 HydrophobicContact CG2-CB 4.28Å; V35-P788 HydrophobicContact CG2-CG 4.3Å; V35-Y791 HydrophobicContact CG2-CD2 4.22Å; V35-F798 HydrophobicContact CG1-CE1 4.36Å
36L95.2Very high92.7Very high19 Ų1946 Ų4610%0.09925%0.248CC..Hα-helixtrans-64.8-47.6176.4-70173.1000111.8N32 I33 A38 F39 F40 A54 A57 M58 V61N32-L36 WeakPolarHBondContact O-CG 3.36Å; N32-L36 PolarHBondContact O-N 3.38Å; I33-L36 PolarHBondContact O-N 2.98Å; I33-L36 VanDerWaalsContact O-N 3.16Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 3.32Å; L36-F39 WeakPolarHBondContact O-CB 3.44Å; L36-F39 PolarHBondContact O-N 3.1Å; L36-F39 VanDerWaalsContact O-N 3.1Å; L36-F40 HydrophobicContact CB-CD2 4.46Å; L36-F40 HydrophobicContact CB-CE2 4.33Å; L36-F40 HydrophobicContact CD2-CE2 4.42Å; L36-F40 WeakPolarHBondContact O-CD2 3.48Å; L36-F40 PolarHBondContact O-N 3.13Å; L36-A54 HydrophobicContact CD2-CB 4.35Å; L36-A54 WeakPolarHBondContact CD2-O 3.47Å; L36-A57 HydrophobicContact CD2-CB 3.95Å; L36-A57 HydrophobicContact CG-CB 3.89Å; L36-M58 HydrophobicContact CD1-CE 4Å; L36-M58 HydrophobicContact CD1-SD 4.47Å; L36-M58 HydrophobicContact CD2-CE 4.33Å; L36-V61 HydrophobicContact CD1-CG2 4.02Å
37I92.9Very high92.5Very high61 Ų6145.4 Ų45.431%0.31324%0.24SC..Hα-helixtrans-56.3-47.1175.9-69.5172.1000110.2I33 V34 F39 F40 I41 I805I33-I37 HydrophobicContact CG2-CD1 3.6Å; I33-I37 HydrophobicContact CG2-CG1 4.14Å; I33-I37 VanDerWaalsContact O-CG1 3.31Å; I33-I37 WeakPolarHBondContact O-CG1 3.29Å; I33-I37 PolarHBondContact O-N 2.66Å; V34-I37 PolarHBondContact O-N 3.39Å; I37-F39 VanDerWaalsContact C-N 3.32Å; I37-F39 PolarHBondContact O-N 3.42Å; I37-F40 PolarHBondContact O-N 3.1Å; I37-I41 HydrophobicContact CG2-CD1 3.46Å; I37-I41 VanDerWaalsContact CG2-CD1 3.46Å; I37-I41 HydrophobicContact CG2-CG1 4.16Å; I37-I41 WeakPolarHBondContact O-CB 3.33Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 2.91Å; I37-I805 HydrophobicContact CG2-CD1 4.08Å
38A91.3Very high92.4Very high3 Ų344 Ų443%0.02523%0.227CC..Hα-helixtrans-56.9-45.9176.200000111.6V34 V35 L36 F40 E42 L45 T801 I805V34-A38 VanDerWaalsContact O-CB 3.28Å; V34-A38 WeakPolarHBondContact O-CB 3.47Å; V34-A38 PolarHBondContact O-N 2.88Å; V35-A38 PolarHBondContact O-N 2.91Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 3.32Å; A38-F40 PolarHBondContact O-N 3.22Å; A38-E42 WeakPolarHBondContact O-CB 3.31Å; A38-E42 PolarHBondContact O-N 3.45Å; A38-L45 HydrophobicContact CB-CD1 4.18Å; A38-T801 HydrophobicContact CB-CG2 3.66Å; A38-I805 HydrophobicContact CB-CD1 3.7Å
39F92.6Very high92.1Very high11 Ų1144.2 Ų44.25%0.04823%0.228CC..Hα-helixtrans-63-40.5179178.6-96.5000113.3V35 L36 I37 R46 N50 Y51 A54V35-F39 PolarHBondContact O-N 3.17Å; L36-F39 WeakPolarHBondContact O-CB 3.44Å; L36-F39 PolarHBondContact O-N 3.1Å; L36-F39 VanDerWaalsContact O-N 3.1Å; I37-F39 VanDerWaalsContact C-N 3.32Å; I37-F39 PolarHBondContact O-N 3.42Å; F39-R46 HydrophobicContact CE2-CG 4.49Å; F39-R46 HydrophobicContact CZ-CG 4.43Å; F39-R46 WeakPolarHBondContact O-CG 3.35Å; F39-N50 HydrophobicContact CD2-CB 4.23Å; F39-N50 HydrophobicContact CE2-CB 4.01Å; F39-Y51 HydrophobicContact CE2-CD2 4.29Å; F39-Y51 HydrophobicContact CZ-CD1 4.01Å; F39-Y51 AromaticContact CZ-CD2 3.92Å; F39-Y51 HydrophobicContact CZ-CD2 3.92Å; F39-Y51 HydrophobicContact CZ-CE1 4.03Å; F39-Y51 AromaticContact CZ-CE2 3.93Å; F39-Y51 HydrophobicContact CZ-CE2 3.93Å; F39-Y51 AromaticContact CZ-CG 3.97Å; F39-Y51 HydrophobicContact CZ-CG 3.97Å; F39-A54 HydrophobicContact CD1-CB 3.91Å; F39-A54 HydrophobicContact CD2-CB 4.13Å; F39-A54 HydrophobicContact CE1-CB 4.04Å; F39-A54 HydrophobicContact CE2-CB 4.24Å; F39-A54 HydrophobicContact CG-CB 3.95Å; F39-A54 HydrophobicContact CZ-CB 4.2Å
40F91.8Very high91.9Very high135 Ų13542 Ų4259%0.59222%0.217SC*.Hα-helixtrans-77.5-37.7-178.4-72.6-64.5000113.4L36 I37 A38L36-F40 HydrophobicContact CB-CD2 4.46Å; L36-F40 HydrophobicContact CB-CE2 4.33Å; L36-F40 HydrophobicContact CD2-CE2 4.42Å; L36-F40 WeakPolarHBondContact O-CD2 3.48Å; L36-F40 PolarHBondContact O-N 3.13Å; I37-F40 PolarHBondContact O-N 3.1Å; A38-F40 PolarHBondContact O-N 3.22Å
41I89Confident92Very high52 Ų5242.4 Ų42.427%0.26721%0.208SC..Hα-helixtrans-76.1-47.3-179.3-66-177.8000111.1I37 R43 F810I37-I41 HydrophobicContact CG2-CD1 3.46Å; I37-I41 VanDerWaalsContact CG2-CD1 3.46Å; I37-I41 HydrophobicContact CG2-CG1 4.16Å; I37-I41 WeakPolarHBondContact O-CB 3.33Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 2.91Å; I41-R43 PolarHBondContact O-N 2.72Å; I41-F810 HydrophobicContact CD1-CD1 3.73Å; I41-F810 HydrophobicContact CD1-CE1 4.14Å
42E87.7Confident92.1Very high23 Ų2341.8 Ų41.811%0.10720%0.2CC..  trans-85.9103.2-170.1-176.555.2-122.700111A38 S44 L45 T801 R804A38-E42 WeakPolarHBondContact O-CB 3.31Å; A38-E42 PolarHBondContact O-N 3.45Å; E42-S44 VanDerWaalsContact CD-OG 3.27Å; E42-S44 VanDerWaalsContact CG-OG 3.24Å; E42-S44 WeakPolarHBondContact CG-OG 3.43Å; E42-S44 PolarHBondContact O-N 3.07Å; E42-S44 VanDerWaalsContact O-N 3.15Å; E42-S44 WeakPolarHBondContact OE1-CB 3.48Å; E42-S44 PolarHBondContact OE1-N 3.24Å; E42-S44 PolarHBondContact OE1-OG 3.41Å; E42-L45 HydrophobicContact CB-CB 4.28Å; E42-L45 HydrophobicContact CB-CD1 3.84Å; E42-L45 HydrophobicContact CB-CG 3.92Å; E42-L45 HydrophobicContact CG-CB 4.28Å; E42-L45 HydrophobicContact CG-CD1 3.96Å; E42-L45 HydrophobicContact CG-CG 3.63Å; E42-L45 WeakPolarHBondContact O-CB 3.44Å; E42-L45 PolarHBondContact O-N 3.41Å; E42-T801 HydrophobicContact CB-CG2 4.16Å; E42-R804 IonicContact OE2-CZ 3.1Å; E42-R804 IonicContact OE2-NH1 3.49Å; E42-R804 PolarHBondContact OE2-NH1 3.09Å; E42-R804 IonicContact OE2-NH2 2.98Å; E42-R804 PolarHBondContact OE2-NH2 3.44Å
43R88.9Confident92Very high139 Ų13942.4 Ų42.453%0.52520%0.204SC..G310 helixtrans-56.7-35.2-178.6-62.6-166.6176.4-177.56.3112.1I41 L45 R46 E338I41-R43 PolarHBondContact O-N 2.72Å; R43-L45 PolarHBondContact O-N 3.09Å; R43-R46 PolarHBondContact O-N 3.45Å; R43-E338 IonicContact NH1-OE1 3.7Å; R43-E338 PolarHBondContact NH1-OE1 2.89Å
44S87.3Confident92Very high76 Ų7639.8 Ų39.853%0.53119%0.192SC..G310 helixtrans-66.5-19.1179.569.20000113.6E42E42-S44 VanDerWaalsContact CD-OG 3.27Å; E42-S44 VanDerWaalsContact CG-OG 3.24Å; E42-S44 WeakPolarHBondContact CG-OG 3.43Å; E42-S44 PolarHBondContact O-N 3.07Å; E42-S44 VanDerWaalsContact O-N 3.15Å; E42-S44 WeakPolarHBondContact OE1-CB 3.48Å; E42-S44 PolarHBondContact OE1-N 3.24Å; E42-S44 PolarHBondContact OE1-OG 3.41Å
45L87.7Confident92.3Very high4 Ų439 Ų392%0.02119%0.188CC..G310 helixtrans-85-11.5175.9-66.7-179.2000113.5A38 E42 R43 I47 N50 F798 T801A38-L45 HydrophobicContact CB-CD1 4.18Å; E42-L45 HydrophobicContact CB-CB 4.28Å; E42-L45 HydrophobicContact CB-CD1 3.84Å; E42-L45 HydrophobicContact CB-CG 3.92Å; E42-L45 HydrophobicContact CG-CB 4.28Å; E42-L45 HydrophobicContact CG-CD1 3.96Å; E42-L45 HydrophobicContact CG-CG 3.63Å; E42-L45 WeakPolarHBondContact O-CB 3.44Å; E42-L45 PolarHBondContact O-N 3.41Å; R43-L45 PolarHBondContact O-N 3.09Å; L45-I47 PolarHBondContact O-N 2.92Å; L45-N50 WeakPolarHBondContact O-CB 3.5Å; L45-N50 PolarHBondContact O-ND2 3.37Å; L45-F798 HydrophobicContact CD1-CD1 4Å; L45-F798 HydrophobicContact CD1-CE1 3.82Å; L45-F798 HydrophobicContact CD1-CZ 4.21Å; L45-F798 HydrophobicContact CD2-CD2 4.23Å; L45-F798 HydrophobicContact CD2-CE2 4.08Å; L45-F798 HydrophobicContact CD2-CZ 4.26Å; L45-T801 HydrophobicContact CD1-CG2 4.36Å
46R91.6Very high92.4Very high105 Ų10538.7 Ų38.740%0.39619%0.186SC..  trans-8251.2-176.8-59.7-174.5-60.2175.51.4113.1F39 R43 Y128F39-R46 HydrophobicContact CE2-CG 4.49Å; F39-R46 HydrophobicContact CZ-CG 4.43Å; F39-R46 WeakPolarHBondContact O-CG 3.35Å; R43-R46 PolarHBondContact O-N 3.45Å; R46-Y128 WeakPolarHBondContact O-CE1 3.31Å; R46-Y128 PolarHBondContact O-OH 3.49Å
47I91.1Very high92.5Very high80 Ų8037.8 Ų37.841%0.4118%0.181SC..SBendtrans-96.7154174.856.2169.6000111.2L45 S49 N50 Y51L45-I47 PolarHBondContact O-N 2.92Å; I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 PolarHBondContact O-N 2.9Å; I47-N50 HydrophobicContact CG1-CB 3.9Å; I47-N50 VanDerWaalsContact CG1-CG 3.44Å; I47-N50 WeakPolarHBondContact CG1-ND2 3.05Å; I47-N50 PolarHBondContact O-N 3.43Å; I47-Y51 WeakPolarHBondContact O-CD2 3.44Å
48P93Very high92.7Very high16 Ų1638.6 Ų38.610%0.10419%0.185CC..Hα-helixtrans-52.5-43.8-174-28.734.9000114.6N50 Y51 R126 Y128 V131P48-N50 PolarHBondContact O-N 3.43Å; P48-Y51 PolarHBondContact O-N 3Å; P48-R126 HydrophobicContact CB-CG 4.25Å; P48-Y128 HydrophobicContact CG-CD1 4.02Å; P48-Y128 HydrophobicContact CG-CE1 3.78Å; P48-Y128 HydrophobicContact CG-CE2 4.39Å; P48-Y128 HydrophobicContact CG-CG 4.44Å; P48-V131 HydrophobicContact CB-CG2 4.03Å
49S90.1Very high93Very high5 Ų538.5 Ų38.54%0.03518%0.183CC..Hα-helixtrans-62.2-27.8178-67.10000114.1I47 Y51 D111 R112 R126I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 PolarHBondContact O-N 2.9Å; S49-Y51 VanDerWaalsContact C-N 3.34Å; S49-D111 PolarHBondContact OG-OD2 2.9Å; S49-R112 VanDerWaalsContact CB-NH2 3.3Å; S49-R112 PolarHBondContact OG-NH1 3.3Å; S49-R126 PolarHBondContact OG-NH1 3.43Å
50N92.8Very high93.3Very high5 Ų538 Ų383%0.02718%0.181CC..Hα-helixtrans-82.4-14-177.1-70.93000112.3F39 L45 I47 P48 F52 I53 A54F39-N50 HydrophobicContact CD2-CB 4.23Å; F39-N50 HydrophobicContact CE2-CB 4.01Å; L45-N50 WeakPolarHBondContact O-CB 3.5Å; L45-N50 PolarHBondContact O-ND2 3.37Å; I47-N50 HydrophobicContact CG1-CB 3.9Å; I47-N50 VanDerWaalsContact CG1-CG 3.44Å; I47-N50 WeakPolarHBondContact CG1-ND2 3.05Å; I47-N50 PolarHBondContact O-N 3.43Å; P48-N50 PolarHBondContact O-N 3.43Å; N50-F52 VanDerWaalsContact C-N 3.26Å; N50-F52 PolarHBondContact O-N 3.22Å; N50-I53 WeakPolarHBondContact O-CB 3.46Å; N50-I53 PolarHBondContact O-N 2.85Å; N50-I53 VanDerWaalsContact O-N 3.16Å; N50-A54 PolarHBondContact O-N 2.78Å
51Y96.5Very high93.6Very high44 Ų4432.5 Ų32.517%0.17316%0.159CC..Hα-helixtrans-63.8-33.5170.7-82.3-100.3000111.6F39 I47 P48 S49 I53 A54 S55 Y128 R132 I135F39-Y51 HydrophobicContact CE2-CD2 4.29Å; F39-Y51 HydrophobicContact CZ-CD1 4.01Å; F39-Y51 AromaticContact CZ-CD2 3.92Å; F39-Y51 HydrophobicContact CZ-CD2 3.92Å; F39-Y51 HydrophobicContact CZ-CE1 4.03Å; F39-Y51 AromaticContact CZ-CE2 3.93Å; F39-Y51 HydrophobicContact CZ-CE2 3.93Å; F39-Y51 AromaticContact CZ-CG 3.97Å; F39-Y51 HydrophobicContact CZ-CG 3.97Å; I47-Y51 WeakPolarHBondContact O-CD2 3.44Å; P48-Y51 PolarHBondContact O-N 3Å; S49-Y51 VanDerWaalsContact C-N 3.34Å; Y51-I53 VanDerWaalsContact C-N 3.35Å; Y51-A54 PolarHBondContact O-N 3.29Å; Y51-S55 PolarHBondContact O-N 3.44Å; Y51-Y128 HydrophobicContact CD2-CD1 4.37Å; Y51-Y128 AromaticContact CE2-CD1 3.68Å; Y51-Y128 HydrophobicContact CE2-CD1 3.68Å; Y51-Y128 AromaticContact CE2-CE1 3.9Å; Y51-Y128 HydrophobicContact CE2-CE1 3.9Å; Y51-R132 PolarHBondContact OH-NH2 3.04Å; Y51-I135 WeakPolarHBondContact O-CD1 3.33Å
52F96.1Very high94Very high1 Ų131.8 Ų31.80%0.00416%0.155CC..Hα-helixtrans-65.6-38.5171.9-61.7-60.1000111.9N50 A54 S55 L56 T104 L107 I108 D111 V131 M134 I135N50-F52 VanDerWaalsContact C-N 3.26Å; N50-F52 PolarHBondContact O-N 3.22Å; F52-A54 VanDerWaalsContact C-N 3.35Å; F52-S55 WeakPolarHBondContact O-CB 3.31Å; F52-S55 PolarHBondContact O-N 3.44Å; F52-L56 PolarHBondContact O-N 3.02Å; F52-T104 HydrophobicContact CB-CG2 4.29Å; F52-T104 WeakPolarHBondContact O-CG2 3.31Å; F52-L107 HydrophobicContact CD1-CB 3.98Å; F52-L107 HydrophobicContact CD1-CD1 4.3Å; F52-L107 HydrophobicContact CE1-CB 3.81Å; F52-L107 HydrophobicContact CE1-CD1 3.88Å; F52-L107 HydrophobicContact CE1-CG 4.42Å; F52-L107 HydrophobicContact CZ-CB 4.32Å; F52-I108 HydrophobicContact CB-CD1 4.16Å; F52-I108 HydrophobicContact CB-CG1 3.53Å; F52-I108 HydrophobicContact CG-CG1 4.29Å; F52-D111 HydrophobicContact CD2-CB 4.4Å; F52-D111 HydrophobicContact CE2-CB 3.95Å; F52-V131 HydrophobicContact CD1-CG1 4.46Å; F52-V131 HydrophobicContact CD2-CG1 4.47Å; F52-V131 HydrophobicContact CE1-CG1 3.99Å; F52-V131 HydrophobicContact CE2-CG1 4Å; F52-V131 HydrophobicContact CE2-CG2 4.37Å; F52-V131 HydrophobicContact CZ-CB 4.44Å; F52-V131 HydrophobicContact CZ-CG1 3.74Å; F52-V131 HydrophobicContact CZ-CG2 4.27Å; F52-M134 HydrophobicContact CE1-CB 4.33Å; F52-M134 HydrophobicContact CE1-CE 4.4Å; F52-M134 HydrophobicContact CZ-CE 3.89Å; F52-M134 HydrophobicContact CZ-SD 4.32Å; F52-I135 HydrophobicContact CD1-CD1 4.1Å; F52-I135 HydrophobicContact CD1-CG1 3.79Å; F52-I135 HydrophobicContact CE1-CD1 4.42Å; F52-I135 HydrophobicContact CE1-CG1 3.92Å
53I94.2Very high94.5Very high14 Ų1430.8 Ų30.87%0.07215%0.151CC..Hα-helixtrans-63.7-42.3175.1-64.2173.9000110.6V35 N50 Y51 L56 A57 Y791 F798V35-I53 HydrophobicContact CG1-CG2 3.99Å; N50-I53 WeakPolarHBondContact O-CB 3.46Å; N50-I53 PolarHBondContact O-N 2.85Å; N50-I53 VanDerWaalsContact O-N 3.16Å; Y51-I53 VanDerWaalsContact C-N 3.35Å; I53-L56 PolarHBondContact O-N 2.92Å; I53-A57 PolarHBondContact O-N 3.2Å; I53-Y791 HydrophobicContact CB-CE1 4.4Å; I53-Y791 HydrophobicContact CD1-CD1 4.19Å; I53-Y791 HydrophobicContact CD1-CE1 3.85Å; I53-Y791 HydrophobicContact CG1-CE1 3.8Å; I53-Y791 HydrophobicContact CG2-CD1 4.27Å; I53-Y791 HydrophobicContact CG2-CD2 4.24Å; I53-Y791 HydrophobicContact CG2-CE1 3.82Å; I53-Y791 HydrophobicContact CG2-CE2 3.79Å; I53-Y791 HydrophobicContact CG2-CG 4.47Å; I53-F798 HydrophobicContact CD1-CE2 4.06Å; I53-F798 HydrophobicContact CD1-CZ 4.39Å; I53-F798 HydrophobicContact CG2-CZ 4.11Å
54A96.1Very high94.9Very high12 Ų1224.2 Ų24.210%0.09913%0.126CC..Hα-helixtrans-64.8-39.2175.300000112.2L36 F39 N50 Y51 F52 L56 A57 M58L36-A54 HydrophobicContact CD2-CB 4.35Å; L36-A54 WeakPolarHBondContact CD2-O 3.47Å; F39-A54 HydrophobicContact CD1-CB 3.91Å; F39-A54 HydrophobicContact CD2-CB 4.13Å; F39-A54 HydrophobicContact CE1-CB 4.04Å; F39-A54 HydrophobicContact CE2-CB 4.24Å; F39-A54 HydrophobicContact CG-CB 3.95Å; F39-A54 HydrophobicContact CZ-CB 4.2Å; N50-A54 PolarHBondContact O-N 2.78Å; Y51-A54 PolarHBondContact O-N 3.29Å; F52-A54 VanDerWaalsContact C-N 3.35Å; A54-L56 VanDerWaalsContact C-N 3.34Å; A54-A57 PolarHBondContact O-N 3.42Å; A54-M58 WeakPolarHBondContact O-CB 3.14Å; A54-M58 PolarHBondContact O-N 3.01Å
55S97.6Very high95.3Very high8 Ų824.4 Ų24.46%0.05612%0.12CC..Hα-helixtrans-60.2-43.7172.8-175.80000111.6Y51 F52 M58 T59 I135 W139Y51-S55 PolarHBondContact O-N 3.44Å; F52-S55 WeakPolarHBondContact O-CB 3.31Å; F52-S55 PolarHBondContact O-N 3.44Å; S55-M58 WeakPolarHBondContact O-CB 3.41Å; S55-M58 PolarHBondContact O-N 3.02Å; S55-T59 PolarHBondContact O-N 3.43Å; S55-T59 PolarHBondContact O-OG1 3.09Å; S55-I135 WeakPolarHBondContact OG-CG2 3.31Å; S55-W139 PolarHBondContact OG-NE1 3.03Å
56L96.5Very high95.7Very high0 Ų028.4 Ų28.40%014%0.138CC..Hα-helixtrans-63.8-45.1178.1-165.770.5000111.5F52 I53 A54 M58 T59 D60 S101 T104 V105 N787 Y791F52-L56 PolarHBondContact O-N 3.02Å; I53-L56 PolarHBondContact O-N 2.92Å; A54-L56 VanDerWaalsContact C-N 3.34Å; L56-M58 VanDerWaalsContact C-N 3.26Å; L56-M58 PolarHBondContact O-N 3.39Å; L56-T59 PolarHBondContact O-N 3.48Å; L56-T59 PolarHBondContact O-OG1 3.01Å; L56-D60 WeakPolarHBondContact O-CB 3.39Å; L56-D60 PolarHBondContact O-N 2.78Å; L56-S101 WeakPolarHBondContact CD1-O 3.11Å; L56-S101 WeakPolarHBondContact CD1-OG 3.46Å; L56-T104 HydrophobicContact CB-CG2 3.87Å; L56-T104 HydrophobicContact CD1-CG2 4.17Å; L56-V105 HydrophobicContact CD1-CG2 3.88Å; L56-V105 HydrophobicContact CD2-CG2 4.26Å; L56-N787 WeakPolarHBondContact CD2-ND2 3.28Å; L56-Y791 WeakPolarHBondContact CD2-OH 3.19Å
57A97.4Very high96Very high0 Ų023.4 Ų23.40%012%0.119CC..Hα-helixtrans-62.3-35176.100000112N32 V35 L36 I53 A54 D60 V61N32-A57 HydrophobicContact CB-CB 4.23Å; V35-A57 HydrophobicContact CB-CB 4.11Å; V35-A57 HydrophobicContact CG1-CB 3.82Å; L36-A57 HydrophobicContact CD2-CB 3.95Å; L36-A57 HydrophobicContact CG-CB 3.89Å; I53-A57 PolarHBondContact O-N 3.2Å; A54-A57 PolarHBondContact O-N 3.42Å; A57-D60 PolarHBondContact O-N 3.32Å; A57-V61 VanDerWaalsContact O-CG2 3.32Å; A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 3.34Å
58M97.7Very high96.2Very high78 Ų7819.6 Ų19.638%0.38410%0.1SC..Hα-helixtrans-66.3-44.7175.3-172.962.868.300112.1L36 A54 S55 L56 D60 V61 L62 W139L36-M58 HydrophobicContact CD1-CE 4Å; L36-M58 HydrophobicContact CD1-SD 4.47Å; L36-M58 HydrophobicContact CD2-CE 4.33Å; A54-M58 WeakPolarHBondContact O-CB 3.14Å; A54-M58 PolarHBondContact O-N 3.01Å; S55-M58 WeakPolarHBondContact O-CB 3.41Å; S55-M58 PolarHBondContact O-N 3.02Å; L56-M58 VanDerWaalsContact C-N 3.26Å; L56-M58 PolarHBondContact O-N 3.39Å; M58-D60 VanDerWaalsContact C-N 3.3Å; M58-D60 PolarHBondContact O-N 3.42Å; M58-V61 PolarHBondContact O-N 3.28Å; M58-L62 PolarHBondContact O-N 3.26Å; M58-L62 VanDerWaalsContact O-N 3.13Å; M58-W139 HydrophobicContact CB-CH2 4.44Å; M58-W139 HydrophobicContact CB-CZ2 4.08Å; M58-W139 HydrophobicContact CG-CH2 3.87Å; M58-W139 HydrophobicContact CG-CZ2 3.87Å
59T97.9Very high96.3Very high0 Ų021.7 Ų21.70%011%0.11CC..Hα-helixtrans-62.2-40174.348.50000111.8S55 L56 V61 L62 I63 T100 W139S55-T59 PolarHBondContact O-N 3.43Å; S55-T59 PolarHBondContact O-OG1 3.09Å; L56-T59 PolarHBondContact O-N 3.48Å; L56-T59 PolarHBondContact O-OG1 3.01Å; T59-V61 VanDerWaalsContact C-N 3.35Å; T59-V61 PolarHBondContact O-N 3.37Å; T59-L62 WeakPolarHBondContact O-CB 3.49Å; T59-L62 PolarHBondContact O-N 3.09Å; T59-I63 WeakPolarHBondContact O-CG1 3.46Å; T59-I63 PolarHBondContact O-N 2.89Å; T59-T100 HydrophobicContact CG2-CG2 3.41Å; T59-T100 VanDerWaalsContact CG2-CG2 3.41Å; T59-W139 HydrophobicContact CG2-CH2 3.67Å; T59-W139 HydrophobicContact CG2-CZ2 3.41Å; T59-W139 VanDerWaalsContact CG2-CZ2 3.41Å; T59-W139 HydrophobicContact CG2-CZ3 4.45Å
60D97.8Very high96.6Very high0 Ų023.2 Ų23.20%012%0.117CC..Hα-helixtrans-68.6-33.2179.6-68.3-24000112.3T28 N32 L56 A57 M58 I63 G64 S784 N787T28-D60 WeakPolarHBondContact CG2-O 3.37Å; N32-D60 HydrophobicContact CB-CB 4.12Å; N32-D60 VanDerWaalsContact CG-CB 3.47Å; N32-D60 WeakPolarHBondContact ND2-CB 3.44Å; N32-D60 PolarHBondContact OD1-OD2 2.86Å; L56-D60 WeakPolarHBondContact O-CB 3.39Å; L56-D60 PolarHBondContact O-N 2.78Å; A57-D60 PolarHBondContact O-N 3.32Å; M58-D60 VanDerWaalsContact C-N 3.3Å; M58-D60 PolarHBondContact O-N 3.42Å; D60-I63 PolarHBondContact O-N 3.39Å; D60-G64 PolarHBondContact O-N 2.96Å; D60-S784 VanDerWaalsContact OD1-CB 3.3Å; D60-S784 WeakPolarHBondContact OD1-CB 3.36Å; D60-S784 PolarHBondContact OD1-OG 2.09Å; D60-N787 PolarHBondContact OD2-ND2 2.96Å
61V98.1Very high96.6Very high20 Ų2023.4 Ų23.412%0.12112%0.118CC..Hα-helixtrans-63.8-43.1170.3165.30000111L29 N32 I33 L36 A57 M58 T59 G64 L65L29-V61 HydrophobicContact CD1-CG1 3.99Å; N32-V61 HydrophobicContact CB-CG2 3.84Å; I33-V61 HydrophobicContact CG1-CG2 4Å; L36-V61 HydrophobicContact CD1-CG2 4.02Å; A57-V61 VanDerWaalsContact O-CG2 3.32Å; A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 3.34Å; M58-V61 PolarHBondContact O-N 3.28Å; T59-V61 VanDerWaalsContact C-N 3.35Å; T59-V61 PolarHBondContact O-N 3.37Å; V61-G64 PolarHBondContact O-N 3.49Å; V61-L65 WeakPolarHBondContact O-CB 3.44Å; V61-L65 PolarHBondContact O-N 3.06Å
62L97.6Very high96.5Very high38 Ų3822 Ų2220%0.19911%0.113CC..Hα-helixtrans-62.9-42.4176-68.5177.1000112M58 T59 L65 F66 L93 W139M58-L62 PolarHBondContact O-N 3.26Å; M58-L62 VanDerWaalsContact O-N 3.13Å; T59-L62 WeakPolarHBondContact O-CB 3.49Å; T59-L62 PolarHBondContact O-N 3.09Å; L62-L65 PolarHBondContact O-N 2.72Å; L62-F66 HydrophobicContact CD2-CD2 4.18Å; L62-F66 HydrophobicContact CD2-CE2 4.06Å; L62-F66 PolarHBondContact O-N 3.13Å; L62-L93 HydrophobicContact CD1-CD1 4.46Å; L62-W139 HydrophobicContact CD1-CH2 3.52Å; L62-W139 HydrophobicContact CD1-CZ3 3.52Å
63I97.8Very high96.3Very high2 Ų224.4 Ų24.41%0.0113%0.128CC..Iπ-helixtrans-62.2-48.8176.6-69.6166.1000110.5T59 D60 L65 S67 M68 A97 Y781T59-I63 WeakPolarHBondContact O-CG1 3.46Å; T59-I63 PolarHBondContact O-N 2.89Å; D60-I63 PolarHBondContact O-N 3.39Å; I63-L65 VanDerWaalsContact C-N 3.34Å; I63-L65 PolarHBondContact O-N 2.88Å; I63-S67 WeakPolarHBondContact O-CB 3.34Å; I63-S67 PolarHBondContact O-N 3.24Å; I63-S67 VanDerWaalsContact O-N 3.14Å; I63-M68 HydrophobicContact CG2-CE 3.85Å; I63-M68 HydrophobicContact CG2-CG 4.11Å; I63-M68 PolarHBondContact O-N 3.35Å; I63-A97 HydrophobicContact CD1-CB 4.44Å; I63-A97 HydrophobicContact CG1-CB 3.95Å; I63-Y781 HydrophobicContact CG2-CD1 3.7Å; I63-Y781 HydrophobicContact CG2-CE1 3.89Å
64G97.1Very high96.2Very high0 Ų026.2 Ų26.20%013%0.134CC..Iπ-helixtrans-66.4-33.3178.900000113.5S25 D60 V61 N69S25-G64 PolarHBondContact OG-O 3.25Å; S25-G64 VanDerWaalsContact OG-O 3.08Å; D60-G64 PolarHBondContact O-N 2.96Å; V61-G64 PolarHBondContact O-N 3.49Å; G64-N69 PolarHBondContact O-ND2 3.49Å
65L96.5Very high95.8Very high80 Ų8026.7 Ų26.742%0.41914%0.135SC..Iπ-helixtrans-81.2-42.5-178-176.560000113L29 V61 L62 I63 N69L29-L65 HydrophobicContact CD1-CB 4.45Å; V61-L65 WeakPolarHBondContact O-CB 3.44Å; V61-L65 PolarHBondContact O-N 3.06Å; L62-L65 PolarHBondContact O-N 2.72Å; I63-L65 VanDerWaalsContact C-N 3.34Å; I63-L65 PolarHBondContact O-N 2.88Å; L65-N69 PolarHBondContact O-ND2 2.81Å
66F96.5Very high95.4Very high89 Ų8928.7 Ų28.739%0.3914%0.144SC..Iπ-helixtrans-110.2-61.7-174.3-62.9-71.9000112.1L62 M68 N69 L70 L93L62-F66 HydrophobicContact CD2-CD2 4.18Å; L62-F66 HydrophobicContact CD2-CE2 4.06Å; L62-F66 PolarHBondContact O-N 3.13Å; F66-M68 PolarHBondContact O-N 3.46Å; F66-N69 PolarHBondContact O-N 2.92Å; F66-L70 WeakPolarHBondContact O-CB 3.3Å; F66-L70 WeakPolarHBondContact O-CG 3.39Å; F66-L70 PolarHBondContact O-N 3.3Å; F66-L93 HydrophobicContact CB-CD2 3.58Å; F66-L93 HydrophobicContact CD2-CD2 3.75Å; F66-L93 HydrophobicContact CG-CD2 3.76Å
67S96.7Very high95Very high0 Ų030.3 Ų30.30%015%0.153CC..Iπ-helixtrans-58.2-52.4-170.5-590000113.1I63 N69 F71 D94 Y781I63-S67 WeakPolarHBondContact O-CB 3.34Å; I63-S67 PolarHBondContact O-N 3.24Å; I63-S67 VanDerWaalsContact O-N 3.14Å; S67-N69 PolarHBondContact O-N 3.39Å; S67-F71 VanDerWaalsContact O-CB 3.22Å; S67-F71 WeakPolarHBondContact O-CB 3.35Å; S67-F71 PolarHBondContact O-N 2.89Å; S67-D94 WeakPolarHBondContact CB-OD1 3.36Å; S67-D94 PolarHBondContact OG-OD1 3.37Å; S67-Y781 VanDerWaalsContact CB-OH 3.3Å; S67-Y781 WeakPolarHBondContact CB-OH 3.43Å; S67-Y781 PolarHBondContact O-OH 3.48Å
68M95.9Very high94.4Very high0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-63.5-43.6-179.4-70.3-179.3-179.200111.5V24 T28 I63 F66 F71 I72 W778 Y781V24-M68 HydrophobicContact CG1-CE 4.16Å; V24-M68 HydrophobicContact CG1-SD 4.2Å; T28-M68 HydrophobicContact CG2-CE 4.04Å; T28-M68 HydrophobicContact CG2-SD 4.42Å; T28-M68 WeakPolarHBondContact OG1-CE 3.3Å; I63-M68 HydrophobicContact CG2-CE 3.85Å; I63-M68 HydrophobicContact CG2-CG 4.11Å; I63-M68 PolarHBondContact O-N 3.35Å; F66-M68 PolarHBondContact O-N 3.46Å; M68-F71 PolarHBondContact O-N 2.96Å; M68-I72 WeakPolarHBondContact O-CB 3.3Å; M68-I72 WeakPolarHBondContact O-CD1 3.49Å; M68-I72 WeakPolarHBondContact O-CG1 3.42Å; M68-I72 PolarHBondContact O-N 3.37Å; M68-W778 HydrophobicContact CG-CZ3 4.44Å; M68-Y781 HydrophobicContact CE-CD1 4.41Å; M68-Y781 HydrophobicContact CE-CG 4.03Å; M68-Y781 VanDerWaalsContact CE-O 3.26Å; M68-Y781 WeakPolarHBondContact CE-O 3.46Å; M68-Y781 HydrophobicContact CG-CD1 4.35Å; M68-Y781 HydrophobicContact CG-CD2 3.92Å; M68-Y781 HydrophobicContact CG-CE2 4.15Å; M68-Y781 HydrophobicContact CG-CG 4.01Å
69N95.5Very high94Very high59 Ų5932.4 Ų32.432%0.31617%0.166SC..Hα-helixtrans-70.4-40.9-176.2-62.8-46.8000112.3S25 G64 L65 F66 S67 I72 T73S25-N69 PolarHBondContact OG-OD1 3.48Å; G64-N69 PolarHBondContact O-ND2 3.49Å; L65-N69 PolarHBondContact O-ND2 2.81Å; F66-N69 PolarHBondContact O-N 2.92Å; S67-N69 PolarHBondContact O-N 3.39Å; N69-I72 WeakPolarHBondContact O-CB 3.41Å; N69-I72 PolarHBondContact O-N 2.87Å; N69-T73 PolarHBondContact O-N 3.19Å; N69-T73 PolarHBondContact O-OG1 3.49Å
70L95.6Very high93.8Very high37 Ų3732.7 Ų32.719%0.19417%0.167CC..Hα-helixtrans-67.9-37.6175-67.8174.6000111.7F66 T73 Y74 W80 L82 W90F66-L70 WeakPolarHBondContact O-CB 3.3Å; F66-L70 WeakPolarHBondContact O-CG 3.39Å; F66-L70 PolarHBondContact O-N 3.3Å; L70-T73 PolarHBondContact O-N 3.31Å; L70-Y74 PolarHBondContact O-N 3.22Å; L70-W80 HydrophobicContact CB-CH2 4.3Å; L70-W80 HydrophobicContact CB-CZ3 4.48Å; L70-W80 HydrophobicContact CD2-CH2 4.24Å; L70-L82 HydrophobicContact CD2-CD1 3.81Å; L70-W90 HydrophobicContact CB-CD2 3.88Å; L70-W90 HydrophobicContact CB-CE3 4.49Å; L70-W90 HydrophobicContact CB-CG 3.95Å; L70-W90 HydrophobicContact CD1-CB 3.69Å; L70-W90 HydrophobicContact CD1-CD2 4.37Å; L70-W90 HydrophobicContact CD1-CG 3.61Å; L70-W90 HydrophobicContact CG-CG 4.43Å
71F94.5Very high93.6Very high10 Ų1035.5 Ų35.54%0.04419%0.186CC..Hα-helixtrans-64.6-40.3173.5-170-121.4000112.3S67 M68 Y74 Q75 W90 Y777 W778 Y781S67-F71 VanDerWaalsContact O-CB 3.22Å; S67-F71 WeakPolarHBondContact O-CB 3.35Å; S67-F71 PolarHBondContact O-N 2.89Å; M68-F71 PolarHBondContact O-N 2.96Å; F71-Y74 PolarHBondContact O-N 3.3Å; F71-Q75 VanDerWaalsContact O-CB 3.31Å; F71-Q75 WeakPolarHBondContact O-CB 3.42Å; F71-Q75 PolarHBondContact O-N 2.86Å; F71-W90 HydrophobicContact CB-CH2 4.4Å; F71-W90 HydrophobicContact CB-CZ2 3.78Å; F71-W90 AromaticContact CD2-CH2 3.93Å; F71-W90 HydrophobicContact CD2-CH2 3.93Å; F71-W90 AromaticContact CD2-CZ2 3.88Å; F71-W90 HydrophobicContact CD2-CZ2 3.88Å; F71-W90 HydrophobicContact CG-CZ2 4.31Å; F71-Y777 HydrophobicContact CD1-CD1 4.03Å; F71-Y777 HydrophobicContact CD1-CE1 4.4Å; F71-Y777 HydrophobicContact CD2-CD1 4.32Å; F71-Y777 HydrophobicContact CD2-CE1 4.18Å; F71-Y777 AromaticContact CE1-CD1 3.64Å; F71-Y777 HydrophobicContact CE1-CD1 3.64Å; F71-Y777 HydrophobicContact CE1-CE1 4.37Å; F71-Y777 HydrophobicContact CE1-CG 4.32Å; F71-Y777 AromaticContact CE2-CD1 3.99Å; F71-Y777 HydrophobicContact CE2-CD1 3.99Å; F71-Y777 HydrophobicContact CE2-CE1 4.18Å; F71-Y777 HydrophobicContact CE2-CG 4.49Å; F71-Y777 HydrophobicContact CG-CD1 4.35Å; F71-Y777 HydrophobicContact CG-CE1 4.3Å; F71-Y777 AromaticContact CZ-CD1 3.63Å; F71-Y777 HydrophobicContact CZ-CD1 3.63Å; F71-Y777 HydrophobicContact CZ-CE1 4.28Å; F71-Y777 HydrophobicContact CZ-CG 4.01Å; F71-W778 AromaticContact CD1-CE2 3.83Å; F71-W778 AromaticContact CD1-CZ2 3.78Å; F71-W778 HydrophobicContact CD1-CZ2 3.78Å; F71-W778 AromaticContact CD1-NE1 3.91Å; F71-W778 AromaticContact CE1-CD1 3.89Å; F71-W778 HydrophobicContact CE1-CD2 4.48Å; F71-W778 AromaticContact CE1-CE2 3.83Å; F71-W778 HydrophobicContact CE1-CG 4.49Å; F71-W778 HydrophobicContact CE1-CZ2 4.24Å; F71-W778 AromaticContact CE1-NE1 3.45Å; F71-Y781 HydrophobicContact CB-CE2 4.03Å; F71-Y781 HydrophobicContact CD1-CD2 4.39Å; F71-Y781 AromaticContact CD1-CE2 3.73Å; F71-Y781 HydrophobicContact CD1-CE2 3.73Å; F71-Y781 HydrophobicContact CE1-CE2 4.47Å; F71-Y781 HydrophobicContact CG-CE2 4.05Å
72I93.3Very high93.4Very high13 Ų1338.3 Ų38.37%0.06720%0.2CC..Hα-helixtrans-58.2-48.7173-71.6163.2000110.2A21 T22 M68 N69 Y74 Q75 L76 W778A21-I72 HydrophobicContact CB-CD1 3.69Å; A21-I72 HydrophobicContact CB-CG1 3.59Å; T22-I72 HydrophobicContact CG2-CD1 4.39Å; M68-I72 WeakPolarHBondContact O-CB 3.3Å; M68-I72 WeakPolarHBondContact O-CD1 3.49Å; M68-I72 WeakPolarHBondContact O-CG1 3.42Å; M68-I72 PolarHBondContact O-N 3.37Å; N69-I72 WeakPolarHBondContact O-CB 3.41Å; N69-I72 PolarHBondContact O-N 2.87Å; I72-Y74 VanDerWaalsContact C-N 3.34Å; I72-Y74 PolarHBondContact O-N 3.09Å; I72-Q75 PolarHBondContact O-N 2.89Å; I72-L76 HydrophobicContact CG2-CD1 3.57Å; I72-L76 HydrophobicContact CG2-CG 4.05Å; I72-L76 WeakPolarHBondContact O-CB 3.4Å; I72-L76 VanDerWaalsContact O-CG 3.27Å; I72-L76 WeakPolarHBondContact O-CG 3.23Å; I72-L76 PolarHBondContact O-N 2.89Å; I72-W778 HydrophobicContact CD1-CH2 4Å; I72-W778 HydrophobicContact CG1-CH2 3.67Å; I72-W778 HydrophobicContact CG1-CZ2 3.78Å
73T92.2Very high93.2Very high52 Ų5237.7 Ų37.732%0.31920%0.202SC..Hα-helixtrans-57.5-47.4178-59.60000111.6N69 L70 Q75 L76 L77 P81N69-T73 PolarHBondContact O-N 3.19Å; N69-T73 PolarHBondContact O-OG1 3.49Å; L70-T73 PolarHBondContact O-N 3.31Å; T73-Q75 VanDerWaalsContact C-N 3.33Å; T73-Q75 PolarHBondContact O-N 3.33Å; T73-L76 PolarHBondContact O-N 2.9Å; T73-L77 HydrophobicContact CG2-CD1 3.76Å; T73-L77 WeakPolarHBondContact O-CB 3.41Å; T73-L77 WeakPolarHBondContact O-CG 3.37Å; T73-L77 PolarHBondContact O-N 3.4Å; T73-L77 VanDerWaalsContact O-N 3.1Å; T73-P81 HydrophobicContact CG2-CG 4.42Å
74Y91.5Very high92.9Very high52 Ų5239.9 Ų39.920%0.20421%0.212CC..Hα-helixtrans-60.6-42.3177.5-176.5-123.8000112.2L70 F71 I72 G78 W80 W90 C167L70-Y74 PolarHBondContact O-N 3.22Å; F71-Y74 PolarHBondContact O-N 3.3Å; I72-Y74 VanDerWaalsContact C-N 3.34Å; I72-Y74 PolarHBondContact O-N 3.09Å; Y74-G78 WeakPolarHBondContact O-CA 3.44Å; Y74-G78 PolarHBondContact O-N 3.34Å; Y74-W80 HydrophobicContact CD2-CB 4Å; Y74-W80 AromaticContact CD2-CE3 3.98Å; Y74-W80 HydrophobicContact CD2-CE3 3.98Å; Y74-W80 HydrophobicContact CE2-CB 4.05Å; Y74-W80 HydrophobicContact CG-CE3 4.26Å; Y74-W90 HydrophobicContact CD1-CH2 4.36Å; Y74-C167 HydrophobicContact CE2-CB 4.48Å
75Q88Confident92.7Very high22 Ų2245.2 Ų45.210%0.10324%0.24CC..Hα-helixtrans-70.8-37.6-178.2-171.159.633.500113.4F71 I72 T73 N774F71-Q75 VanDerWaalsContact O-CB 3.31Å; F71-Q75 WeakPolarHBondContact O-CB 3.42Å; F71-Q75 PolarHBondContact O-N 2.86Å; I72-Q75 PolarHBondContact O-N 2.89Å; T73-Q75 VanDerWaalsContact C-N 3.33Å; T73-Q75 PolarHBondContact O-N 3.33Å; Q75-N774 VanDerWaalsContact CD-ND2 3.28Å; Q75-N774 PolarHBondContact NE2-ND2 3.33Å; Q75-N774 PolarHBondContact OE1-ND2 2.82Å
76L88.9Confident92.7Very high50 Ų5044.8 Ų44.826%0.26224%0.238SC..Hα-helixtrans-75.8-37.9-178.9-66.5179000112.2T14 A18 I72 T73T14-L76 HydrophobicContact CG2-CD2 3.65Å; A18-L76 HydrophobicContact CB-CD1 3.97Å; A18-L76 HydrophobicContact CB-CD2 3.87Å; I72-L76 HydrophobicContact CG2-CD1 3.57Å; I72-L76 HydrophobicContact CG2-CG 4.05Å; I72-L76 WeakPolarHBondContact O-CB 3.4Å; I72-L76 VanDerWaalsContact O-CG 3.27Å; I72-L76 WeakPolarHBondContact O-CG 3.23Å; I72-L76 PolarHBondContact O-N 2.89Å; T73-L76 PolarHBondContact O-N 2.9Å
77L88.5Confident92.7Very high34 Ų3440.6 Ų40.618%0.17822%0.219CC..Hα-helixtrans-79.6-29.7177.9-67.3175.2000112.4F5 T73 Y79 P81F5-L77 HydrophobicContact CD1-CD2 4.42Å; F5-L77 HydrophobicContact CE1-CD2 3.51Å; F5-L77 HydrophobicContact CZ-CD2 3.83Å; T73-L77 HydrophobicContact CG2-CD1 3.76Å; T73-L77 WeakPolarHBondContact O-CB 3.41Å; T73-L77 WeakPolarHBondContact O-CG 3.37Å; T73-L77 PolarHBondContact O-N 3.4Å; T73-L77 VanDerWaalsContact O-N 3.1Å; L77-Y79 HydrophobicContact CB-CD1 4.06Å; L77-Y79 HydrophobicContact CB-CE1 3.96Å; L77-Y79 HydrophobicContact CD2-CE1 4.45Å; L77-Y79 VanDerWaalsContact O-CD1 3.25Å; L77-Y79 WeakPolarHBondContact O-CD1 3.49Å; L77-Y79 PolarHBondContact O-N 2.92Å; L77-P81 HydrophobicContact CD1-CB 4.25Å; L77-P81 HydrophobicContact CD1-CG 3.53Å
78G85.8Confident92.6Very high29 Ų2942 Ų4230%0.29923%0.227SC..SBendtrans76.3-3.2-174.700000114.6Y74Y74-G78 WeakPolarHBondContact O-CA 3.44Å; Y74-G78 PolarHBondContact O-N 3.34Å
79Y89.4Confident92.6Very high94 Ų9446.1 Ų46.137%0.36925%0.248SC..SBendtrans-141.6164.8172.969.1-85.8000109.5L77 P81 T165L77-Y79 HydrophobicContact CB-CD1 4.06Å; L77-Y79 HydrophobicContact CB-CE1 3.96Å; L77-Y79 HydrophobicContact CD2-CE1 4.45Å; L77-Y79 VanDerWaalsContact O-CD1 3.25Å; L77-Y79 WeakPolarHBondContact O-CD1 3.49Å; L77-Y79 PolarHBondContact O-N 2.92Å; Y79-P81 HydrophobicContact CD2-CB 4.44Å; Y79-P81 HydrophobicContact CE2-CB 3.83Å; Y79-P81 WeakPolarHBondContact O-CD 3.45Å; Y79-T165 CarbonylContact C-O 3.58Å; Y79-T165 WeakPolarHBondContact CA-O 3.27Å
80W93Very high92.7Very high6 Ų643.6 Ų43.62%0.02323%0.234CC..  trans-94116177.4-175.4-104.7000111.5L70 Y74 L82 G83 I86 C87 W90 T165 C167L70-W80 HydrophobicContact CB-CH2 4.3Å; L70-W80 HydrophobicContact CB-CZ3 4.48Å; L70-W80 HydrophobicContact CD2-CH2 4.24Å; Y74-W80 HydrophobicContact CD2-CB 4Å; Y74-W80 AromaticContact CD2-CE3 3.98Å; Y74-W80 HydrophobicContact CD2-CE3 3.98Å; Y74-W80 HydrophobicContact CE2-CB 4.05Å; Y74-W80 HydrophobicContact CG-CE3 4.26Å; W80-L82 HydrophobicContact CH2-CD1 3.98Å; W80-L82 HydrophobicContact CZ2-CB 3.77Å; W80-L82 HydrophobicContact CZ2-CD1 3.96Å; W80-L82 HydrophobicContact CZ2-CG 4.24Å; W80-G83 PolarHBondContact NE1-O 3.32Å; W80-I86 HydrophobicContact CZ2-CB 4.25Å; W80-I86 HydrophobicContact CZ2-CG2 3.95Å; W80-C87 HydrophobicContact CZ2-CB 4.08Å; W80-W90 HydrophobicContact CE3-CE3 4.05Å; W80-W90 AromaticContact CE3-CZ3 3.79Å; W80-W90 HydrophobicContact CE3-CZ3 3.79Å; W80-W90 HydrophobicContact CH2-CB 4.44Å; W80-W90 AromaticContact CH2-CD2 3.99Å; W80-W90 HydrophobicContact CH2-CD2 3.99Å; W80-W90 AromaticContact CH2-CE3 3.26Å; W80-W90 HydrophobicContact CH2-CE3 3.26Å; W80-W90 HydrophobicContact CH2-CG 4.48Å; W80-W90 AromaticContact CH2-CZ3 3.85Å; W80-W90 HydrophobicContact CH2-CZ3 3.85Å; W80-W90 HydrophobicContact CZ2-CE3 4.07Å; W80-W90 HydrophobicContact CZ3-CD2 4.2Å; W80-W90 AromaticContact CZ3-CE3 3.25Å; W80-W90 HydrophobicContact CZ3-CE3 3.25Å; W80-W90 HydrophobicContact CZ3-CH2 4.29Å; W80-W90 AromaticContact CZ3-CZ3 3.3Å; W80-W90 HydrophobicContact CZ3-CZ3 3.3Å; W80-T165 PolarHBondContact N-O 2.8Å; W80-C167 HydrophobicContact CB-CB 3.82Å; W80-C167 HydrophobicContact CD2-CB 3.62Å; W80-C167 HydrophobicContact CE3-CB 3.86Å; W80-C167 HydrophobicContact CG-CB 3.61Å
81P93Very high92.8Very high59 Ų5942.1 Ų42.138%0.38323%0.227SC..  trans-94.4-9.4-176.937.3-38.1000114.4T73 L77 Y79T73-P81 HydrophobicContact CG2-CG 4.42Å; L77-P81 HydrophobicContact CD1-CB 4.25Å; L77-P81 HydrophobicContact CD1-CG 3.53Å; Y79-P81 HydrophobicContact CD2-CB 4.44Å; Y79-P81 HydrophobicContact CE2-CB 3.83Å; Y79-P81 WeakPolarHBondContact O-CD 3.45Å
82L94Very high92.9Very high79 Ų7942 Ų4241%0.41423%0.227SC..SBendtrans-96.89.6-165.8-54.1176.8000114.5L70 W80 I86L70-L82 HydrophobicContact CD2-CD1 3.81Å; W80-L82 HydrophobicContact CH2-CD1 3.98Å; W80-L82 HydrophobicContact CZ2-CB 3.77Å; W80-L82 HydrophobicContact CZ2-CD1 3.96Å; W80-L82 HydrophobicContact CZ2-CG 4.24Å; L82-I86 HydrophobicContact CB-CB 3.87Å; L82-I86 HydrophobicContact CB-CG1 4.28Å; L82-I86 HydrophobicContact CB-CG2 3.93Å; L82-I86 HydrophobicContact CD1-CG2 3.9Å; L82-I86 WeakPolarHBondContact O-CG1 3.48Å
83G93Very high93.1Very high25 Ų2544.1 Ų44.126%0.25824%0.238SC..Hα-helixtrans71.8176.4179.500000115W80 C87W80-G83 PolarHBondContact NE1-O 3.32Å; G83-C87 PolarHBondContact O-N 3.37Å
84H91.9Very high93.4Very high48 Ų4841.6 Ų41.622%0.22222%0.223CC..Hα-helixtrans-64.9-45-172.3-61.9-51.4000113.9I86 C87 D88 R162 L164H84-I86 PolarHBondContact O-N 3.44Å; H84-C87 WeakPolarHBondContact O-CB 3.24Å; H84-C87 PolarHBondContact O-N 2.89Å; H84-C87 VanDerWaalsContact O-N 3.14Å; H84-D88 PolarHBondContact O-N 3.15Å; H84-R162 PolarHBondContact CE1-O 3.09Å; H84-L164 WeakPolarHBondContact NE2-CD1 3.47Å; H84-L164 WeakPolarHBondContact NE2-CG 3.45Å
85L93.9Very high93.6Very high111 Ų11140.2 Ų40.258%0.58122%0.218SC*.Hα-helixtrans-60.7-47-175179.663.9000112.2C87 D88 L89 F151L85-C87 VanDerWaalsContact C-N 3.29Å; L85-C87 PolarHBondContact O-N 2.96Å; L85-D88 PolarHBondContact O-N 2.89Å; L85-L89 HydrophobicContact CD1-CD1 4.26Å; L85-L89 HydrophobicContact CD1-CG 4.38Å; L85-L89 HydrophobicContact CG-CD1 4.06Å; L85-L89 WeakPolarHBondContact O-CB 3.5Å; L85-L89 VanDerWaalsContact O-CG 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 2.75Å; L85-F151 HydrophobicContact CD1-CE1 4.2Å
86I95.6Very high94.1Very high72 Ų7239.7 Ų39.737%0.36922%0.216SC..Hα-helixtrans-68.7-33179.4-54.1-59000110.6W80 L82 H84 L89 W90W80-I86 HydrophobicContact CZ2-CB 4.25Å; W80-I86 HydrophobicContact CZ2-CG2 3.95Å; L82-I86 HydrophobicContact CB-CB 3.87Å; L82-I86 HydrophobicContact CB-CG1 4.28Å; L82-I86 HydrophobicContact CB-CG2 3.93Å; L82-I86 HydrophobicContact CD1-CG2 3.9Å; L82-I86 WeakPolarHBondContact O-CG1 3.48Å; H84-I86 PolarHBondContact O-N 3.44Å; I86-L89 HydrophobicContact CD1-CD1 4.39Å; I86-W90 VanDerWaalsContact O-CB 3.25Å; I86-W90 WeakPolarHBondContact O-CB 3.35Å; I86-W90 PolarHBondContact O-N 2.97Å
87C95.9Very high94.5Very high0 Ų037.4 Ų37.40%021%0.205CC..Hα-helixtrans-61.7-51.8173.3177.20000111.5W80 G83 H84 L85 L89 W90 L91 R162 C167W80-C87 HydrophobicContact CZ2-CB 4.08Å; G83-C87 PolarHBondContact O-N 3.37Å; H84-C87 WeakPolarHBondContact O-CB 3.24Å; H84-C87 PolarHBondContact O-N 2.89Å; H84-C87 VanDerWaalsContact O-N 3.14Å; L85-C87 VanDerWaalsContact C-N 3.29Å; L85-C87 PolarHBondContact O-N 2.96Å; C87-L89 VanDerWaalsContact C-N 3.34Å; C87-L89 PolarHBondContact O-N 2.96Å; C87-W90 PolarHBondContact O-N 3.34Å; C87-L91 WeakPolarHBondContact O-CB 3.41Å; C87-L91 VanDerWaalsContact O-CG 3.31Å; C87-L91 WeakPolarHBondContact O-CG 3.28Å; C87-L91 PolarHBondContact O-N 2.87Å; C87-L91 VanDerWaalsContact SG-CD1 3.58Å; C87-R162 PolarHBondContact SG-NH1 2.97Å; C87-C167 WeakPolarHBondContact CA-SG 3.49Å; C87-C167 HydrophobicContact CB-CB 3.99Å; C87-C167 WeakPolarHBondContact CB-SG 3.26Å; C87-C167 WeakPolarHBondContact SG-CA 3.29Å; C87-C167 WeakPolarHBondContact SG-CB 3.42Å; C87-C167 CovalentContact SG-SG 2.02Å; C87-C167 PolarHBondContact SG-SG 2.97Å
88D95.4Very high95Very high30 Ų3036.5 Ų36.516%0.1620%0.201CC..Hα-helixtrans-67.8-35.3-177.1-65.2-21.4000111.8H84 L85 S92 I150 F151 R162H84-D88 PolarHBondContact O-N 3.15Å; L85-D88 PolarHBondContact O-N 2.89Å; D88-S92 WeakPolarHBondContact O-CB 3.43Å; D88-S92 PolarHBondContact O-N 3.15Å; D88-I150 HydrophobicContact CB-CG2 3.92Å; D88-F151 HydrophobicContact CB-CD1 4.43Å; D88-F151 HydrophobicContact CB-CE1 3.98Å; D88-F151 HydrophobicContact CB-CE2 4.06Å; D88-F151 HydrophobicContact CB-CZ 3.78Å; D88-R162 IonicContact OD1-CZ 2.82Å; D88-R162 IonicContact OD1-NH1 2.82Å; D88-R162 PolarHBondContact OD1-NH1 3.2Å; D88-R162 IonicContact OD1-NH2 3.41Å
89L96.7Very high95.5Very high86 Ų8635.3 Ų35.345%0.4519%0.188SC..Hα-helixtrans-63.4-45.5170.9-74.7172.4000112.2L85 I86 C87 S92 L93 F151L85-L89 HydrophobicContact CD1-CD1 4.26Å; L85-L89 HydrophobicContact CD1-CG 4.38Å; L85-L89 HydrophobicContact CG-CD1 4.06Å; L85-L89 WeakPolarHBondContact O-CB 3.5Å; L85-L89 VanDerWaalsContact O-CG 3.27Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 2.75Å; I86-L89 HydrophobicContact CD1-CD1 4.39Å; C87-L89 VanDerWaalsContact C-N 3.34Å; C87-L89 PolarHBondContact O-N 2.96Å; L89-S92 PolarHBondContact O-N 2.91Å; L89-L93 WeakPolarHBondContact O-CB 3.46Å; L89-L93 PolarHBondContact O-N 3.33Å; L89-F151 HydrophobicContact CD2-CE2 4.45Å; L89-F151 HydrophobicContact CD2-CZ 3.89Å; L89-F151 HydrophobicContact CG-CZ 4.07Å
90W97.7Very high95.9Very high7 Ų731 Ų313%0.02717%0.171CC..Hα-helixtrans-61.9-53.1177.6168.333.5000111.1L70 F71 Y74 W80 I86 C87 S92 L93 D94 C167L70-W90 HydrophobicContact CB-CD2 3.88Å; L70-W90 HydrophobicContact CB-CE3 4.49Å; L70-W90 HydrophobicContact CB-CG 3.95Å; L70-W90 HydrophobicContact CD1-CB 3.69Å; L70-W90 HydrophobicContact CD1-CD2 4.37Å; L70-W90 HydrophobicContact CD1-CG 3.61Å; L70-W90 HydrophobicContact CG-CG 4.43Å; F71-W90 HydrophobicContact CB-CH2 4.4Å; F71-W90 HydrophobicContact CB-CZ2 3.78Å; F71-W90 AromaticContact CD2-CH2 3.93Å; F71-W90 HydrophobicContact CD2-CH2 3.93Å; F71-W90 AromaticContact CD2-CZ2 3.88Å; F71-W90 HydrophobicContact CD2-CZ2 3.88Å; F71-W90 HydrophobicContact CG-CZ2 4.31Å; Y74-W90 HydrophobicContact CD1-CH2 4.36Å; W80-W90 HydrophobicContact CE3-CE3 4.05Å; W80-W90 AromaticContact CE3-CZ3 3.79Å; W80-W90 HydrophobicContact CE3-CZ3 3.79Å; W80-W90 HydrophobicContact CH2-CB 4.44Å; W80-W90 AromaticContact CH2-CD2 3.99Å; W80-W90 HydrophobicContact CH2-CD2 3.99Å; W80-W90 AromaticContact CH2-CE3 3.26Å; W80-W90 HydrophobicContact CH2-CE3 3.26Å; W80-W90 HydrophobicContact CH2-CG 4.48Å; W80-W90 AromaticContact CH2-CZ3 3.85Å; W80-W90 HydrophobicContact CH2-CZ3 3.85Å; W80-W90 HydrophobicContact CZ2-CE3 4.07Å; W80-W90 HydrophobicContact CZ3-CD2 4.2Å; W80-W90 AromaticContact CZ3-CE3 3.25Å; W80-W90 HydrophobicContact CZ3-CE3 3.25Å; W80-W90 HydrophobicContact CZ3-CH2 4.29Å; W80-W90 AromaticContact CZ3-CZ3 3.3Å; W80-W90 HydrophobicContact CZ3-CZ3 3.3Å; I86-W90 VanDerWaalsContact O-CB 3.25Å; I86-W90 WeakPolarHBondContact O-CB 3.35Å; I86-W90 PolarHBondContact O-N 2.97Å; C87-W90 PolarHBondContact O-N 3.34Å; W90-S92 VanDerWaalsContact C-N 3.28Å; W90-S92 PolarHBondContact O-N 3.44Å; W90-L93 PolarHBondContact O-N 2.87Å; W90-D94 VanDerWaalsContact O-CB 3.27Å; W90-D94 WeakPolarHBondContact O-CB 3.26Å; W90-D94 PolarHBondContact O-N 3.44Å; W90-C167 HydrophobicContact CE3-CB 4.48Å; W90-C167 HydrophobicContact CZ3-CB 4.02Å; W90-C167 WeakPolarHBondContact CZ3-SG 3.44Å
91L96.8Very high96.1Very high6 Ų630.7 Ų30.73%0.03117%0.17CC..Hα-helixtrans-60.7-40-179.9-65.9174.1000110.8C87 D94 F95 I150 V169C87-L91 WeakPolarHBondContact O-CB 3.41Å; C87-L91 VanDerWaalsContact O-CG 3.31Å; C87-L91 WeakPolarHBondContact O-CG 3.28Å; C87-L91 PolarHBondContact O-N 2.87Å; C87-L91 VanDerWaalsContact SG-CD1 3.58Å; L91-D94 PolarHBondContact O-N 2.9Å; L91-F95 HydrophobicContact CD2-CE2 4.42Å; L91-F95 WeakPolarHBondContact O-CB 3.07Å; L91-F95 VanDerWaalsContact O-CD2 3.22Å; L91-F95 WeakPolarHBondContact O-CD2 3.39Å; L91-F95 PolarHBondContact O-N 3.17Å; L91-I150 VanDerWaalsContact C-CD1 3.45Å; L91-I150 HydrophobicContact CB-CD1 3.9Å; L91-I150 HydrophobicContact CB-CG2 4.41Å; L91-I150 WeakPolarHBondContact O-CD1 3.19Å; L91-V169 HydrophobicContact CB-CG2 4.17Å; L91-V169 HydrophobicContact CD1-CG2 3.86Å; L91-V169 HydrophobicContact CD2-CG2 4Å; L91-V169 HydrophobicContact CG-CG2 4.23Å
92S97.4Very high96.3Very high8 Ų827.9 Ų27.96%0.05615%0.152CC..Hα-helixtrans-62-49.8175.4179.80000112.2D88 L89 W90 D94 S96 T147D88-S92 WeakPolarHBondContact O-CB 3.43Å; D88-S92 PolarHBondContact O-N 3.15Å; L89-S92 PolarHBondContact O-N 2.91Å; W90-S92 VanDerWaalsContact C-N 3.28Å; W90-S92 PolarHBondContact O-N 3.44Å; S92-D94 VanDerWaalsContact C-N 3.35Å; S92-D94 PolarHBondContact O-N 2.86Å; S92-S96 WeakPolarHBondContact O-CB 3.15Å; S92-S96 PolarHBondContact O-N 3.47Å; S92-S96 PolarHBondContact O-OG 3.36Å; S92-T147 WeakPolarHBondContact OG-CA 3.22Å; S92-T147 PolarHBondContact OG-OG1 3.38Å
93L97.6Very high96.4Very high56 Ų5626.2 Ų26.229%0.29314%0.141SC..Hα-helixtrans-61.4-44.5177.9177.564000111.5L62 F66 L89 W90 S96 A97L62-L93 HydrophobicContact CD1-CD1 4.46Å; F66-L93 HydrophobicContact CB-CD2 3.58Å; F66-L93 HydrophobicContact CD2-CD2 3.75Å; F66-L93 HydrophobicContact CG-CD2 3.76Å; L89-L93 WeakPolarHBondContact O-CB 3.46Å; L89-L93 PolarHBondContact O-N 3.33Å; W90-L93 PolarHBondContact O-N 2.87Å; L93-S96 PolarHBondContact O-N 3.38Å; L93-A97 WeakPolarHBondContact O-CB 3.38Å; L93-A97 PolarHBondContact O-N 2.89Å
94D97.5Very high96.6Very high0 Ų025 Ų250%013%0.128CC..Hα-helixtrans-65.3-53.8-174.2-168.824.6000111.2S67 W90 L91 S92 S96 A97 C98 Y777 Y781S67-D94 WeakPolarHBondContact CB-OD1 3.36Å; S67-D94 PolarHBondContact OG-OD1 3.37Å; W90-D94 VanDerWaalsContact O-CB 3.27Å; W90-D94 WeakPolarHBondContact O-CB 3.26Å; W90-D94 PolarHBondContact O-N 3.44Å; L91-D94 PolarHBondContact O-N 2.9Å; S92-D94 VanDerWaalsContact C-N 3.35Å; S92-D94 PolarHBondContact O-N 2.86Å; D94-S96 VanDerWaalsContact C-N 3.28Å; D94-S96 PolarHBondContact O-N 2.93Å; D94-A97 PolarHBondContact O-N 2.65Å; D94-C98 WeakPolarHBondContact O-CB 3.33Å; D94-C98 PolarHBondContact O-N 3.13Å; D94-C98 PolarHBondContact O-SG 2.91Å; D94-Y777 PolarHBondContact OD2-OH 3.47Å; D94-Y781 PolarHBondContact OD1-OH 3.07Å; D94-Y781 PolarHBondContact OD2-OH 2.92Å
95F96.8Very high96.8Very high23 Ų2322.8 Ų22.810%0.10112%0.118CC..Hα-helixtrans-61.1-38.8177-81.7-107.4000111.7L91 L99 F146 V169L91-F95 HydrophobicContact CD2-CE2 4.42Å; L91-F95 WeakPolarHBondContact O-CB 3.07Å; L91-F95 VanDerWaalsContact O-CD2 3.22Å; L91-F95 WeakPolarHBondContact O-CD2 3.39Å; L91-F95 PolarHBondContact O-N 3.17Å; F95-L99 WeakPolarHBondContact O-CB 3.41Å; F95-L99 PolarHBondContact O-N 3.48Å; F95-F146 HydrophobicContact CB-CB 4.05Å; F95-F146 HydrophobicContact CB-CD1 3.8Å; F95-F146 HydrophobicContact CB-CD2 3.71Å; F95-F146 HydrophobicContact CB-CE1 4.13Å; F95-F146 HydrophobicContact CB-CE2 4.01Å; F95-F146 HydrophobicContact CB-CG 3.59Å; F95-F146 HydrophobicContact CB-CZ 4.23Å; F95-F146 AromaticContact CD1-CD1 3.95Å; F95-F146 HydrophobicContact CD1-CD1 3.95Å; F95-F146 AromaticContact CD1-CE1 3.59Å; F95-F146 HydrophobicContact CD1-CE1 3.59Å; F95-F146 HydrophobicContact CD1-CE2 4.49Å; F95-F146 AromaticContact CD1-CZ 3.89Å; F95-F146 HydrophobicContact CD1-CZ 3.89Å; F95-F146 HydrophobicContact CE1-CE1 4.47Å; F95-F146 HydrophobicContact CG-CD1 4.2Å; F95-F146 HydrophobicContact CG-CE1 4.27Å; F95-F146 HydrophobicContact CG-CG 4.47Å; F95-V169 HydrophobicContact CD2-CG2 4.25Å; F95-V169 HydrophobicContact CE2-CG2 3.48Å; F95-V169 VanDerWaalsContact CE2-CG2 3.48Å; F95-V169 HydrophobicContact CZ-CB 4.38Å; F95-V169 HydrophobicContact CZ-CG2 3.64Å
96S97.9Very high96.9Very high10 Ų1019.7 Ų19.77%0.0710%0.1CC..Hα-helixtrans-67.4-46.4178.1-60.20000112.7S92 L93 D94 L99 T100 P142 A143S92-S96 WeakPolarHBondContact O-CB 3.15Å; S92-S96 PolarHBondContact O-N 3.47Å; S92-S96 PolarHBondContact O-OG 3.36Å; L93-S96 PolarHBondContact O-N 3.38Å; D94-S96 VanDerWaalsContact C-N 3.28Å; D94-S96 PolarHBondContact O-N 2.93Å; S96-L99 PolarHBondContact O-N 2.94Å; S96-T100 VanDerWaalsContact O-CB 3.26Å; S96-T100 WeakPolarHBondContact O-CB 3.48Å; S96-T100 PolarHBondContact O-N 2.82Å; S96-T100 PolarHBondContact O-OG1 3.47Å; S96-P142 PolarHBondContact OG-O 2.92Å; S96-A143 WeakPolarHBondContact OG-CA 3.41Å
97A97.8Very high97Very high2 Ų217.1 Ų17.12%0.0179%0.087CC..Hα-helixtrans-67-41.8179.800000111.1I63 L93 D94 T100 S101I63-A97 HydrophobicContact CD1-CB 4.44Å; I63-A97 HydrophobicContact CG1-CB 3.95Å; L93-A97 WeakPolarHBondContact O-CB 3.38Å; L93-A97 PolarHBondContact O-N 2.89Å; D94-A97 PolarHBondContact O-N 2.65Å; A97-T100 PolarHBondContact O-N 3.4Å; A97-S101 WeakPolarHBondContact O-CB 3.4Å; A97-S101 PolarHBondContact O-N 2.9Å
98C97.1Very high96.9Very high16 Ų1617.6 Ų17.611%0.1089%0.089CC..Hα-helixtrans-56.4-52.9172.9-800000112.1D94 T100 S101 Q102 W745D94-C98 WeakPolarHBondContact O-CB 3.33Å; D94-C98 PolarHBondContact O-N 3.13Å; D94-C98 PolarHBondContact O-SG 2.91Å; C98-T100 PolarHBondContact O-N 3.35Å; C98-S101 WeakPolarHBondContact O-CB 3.44Å; C98-S101 PolarHBondContact O-N 2.8Å; C98-Q102 PolarHBondContact O-N 3.29Å; C98-W745 HydrophobicContact CB-CH2 3.51Å; C98-W745 HydrophobicContact CB-CZ3 4.17Å
99L97.3Very high96.9Very high4 Ų416.3 Ų16.32%0.0218%0.082CC..Hα-helixtrans-68.7-35.3179.5179.462000112.3F95 S96 S101 Q102 Y103 F141 P142 L145 F146 Y185F95-L99 WeakPolarHBondContact O-CB 3.41Å; F95-L99 PolarHBondContact O-N 3.48Å; S96-L99 PolarHBondContact O-N 2.94Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 3.49Å; L99-Q102 PolarHBondContact O-N 3.17Å; L99-Y103 HydrophobicContact CD1-CD1 3.85Å; L99-Y103 HydrophobicContact CD1-CE1 3.56Å; L99-Y103 HydrophobicContact CD1-CE2 4.39Å; L99-Y103 HydrophobicContact CD1-CG 4.38Å; L99-Y103 HydrophobicContact CG-CE1 4.41Å; L99-Y103 HydrophobicContact CG-CE2 4.43Å; L99-Y103 WeakPolarHBondContact O-CB 3.32Å; L99-Y103 PolarHBondContact O-N 2.95Å; L99-F141 HydrophobicContact CD2-CE1 4.43Å; L99-P142 HydrophobicContact CB-CB 3.97Å; L99-P142 HydrophobicContact CB-CG 4.2Å; L99-P142 HydrophobicContact CD2-CB 3.81Å; L99-P142 HydrophobicContact CD2-CG 3.85Å; L99-P142 HydrophobicContact CG-CB 3.94Å; L99-P142 HydrophobicContact CG-CG 3.76Å; L99-L145 HydrophobicContact CD2-CD2 4.32Å; L99-F146 HydrophobicContact CB-CE2 3.89Å; L99-F146 HydrophobicContact CD2-CD2 4.24Å; L99-F146 HydrophobicContact CD2-CE2 3.51Å; L99-F146 HydrophobicContact CD2-CZ 4.34Å; L99-F146 HydrophobicContact CG-CE2 4.29Å; L99-Y185 HydrophobicContact CD1-CD2 3.79Å; L99-Y185 HydrophobicContact CD1-CG 4.15Å
100T98.2Very high96.8Very high2 Ų214.5 Ų14.51%0.0127%0.073CC..Hα-helixtrans-62.6-40.6173.4-58.50000111.1T59 S96 A97 C98 Y103 T104 S138 W139T59-T100 HydrophobicContact CG2-CG2 3.41Å; T59-T100 VanDerWaalsContact CG2-CG2 3.41Å; S96-T100 VanDerWaalsContact O-CB 3.26Å; S96-T100 WeakPolarHBondContact O-CB 3.48Å; S96-T100 PolarHBondContact O-N 2.82Å; S96-T100 PolarHBondContact O-OG1 3.47Å; A97-T100 PolarHBondContact O-N 3.4Å; C98-T100 PolarHBondContact O-N 3.35Å; T100-Y103 PolarHBondContact O-N 3.16Å; T100-T104 WeakPolarHBondContact O-CB 3.26Å; T100-T104 PolarHBondContact O-N 3.35Å; T100-T104 PolarHBondContact O-OG1 3.49Å; T100-S138 WeakPolarHBondContact CG2-O 3.13Å; T100-S138 PolarHBondContact OG1-O 3.3Å; T100-W139 HydrophobicContact CG2-CB 4.43Å; T100-W139 HydrophobicContact CG2-CD2 3.65Å; T100-W139 HydrophobicContact CG2-CE3 4.3Å; T100-W139 HydrophobicContact CG2-CG 3.67Å; T100-W139 HydrophobicContact CG2-CZ2 4.24Å
101S96.6Very high96.7Very high0 Ų014.2 Ų14.20%07%0.072CC..Hα-helixtrans-60.9-49.9174.9-178.20000110.5L56 A97 C98 L99 Y103 T104 V105L56-S101 WeakPolarHBondContact CD1-O 3.11Å; L56-S101 WeakPolarHBondContact CD1-OG 3.46Å; A97-S101 WeakPolarHBondContact O-CB 3.4Å; A97-S101 PolarHBondContact O-N 2.9Å; C98-S101 WeakPolarHBondContact O-CB 3.44Å; C98-S101 PolarHBondContact O-N 2.8Å; L99-S101 VanDerWaalsContact C-N 3.32Å; L99-S101 PolarHBondContact O-N 3.49Å; S101-Y103 PolarHBondContact O-N 3.4Å; S101-T104 WeakPolarHBondContact O-CB 3.24Å; S101-T104 PolarHBondContact O-N 2.99Å; S101-T104 VanDerWaalsContact O-N 3.16Å; S101-V105 WeakPolarHBondContact O-CG2 3.47Å; S101-V105 PolarHBondContact O-N 2.92Å
102Q96.3Very high96.5Very high1 Ų116 Ų161%0.0058%0.078CC..Hα-helixtrans-56.5-50175.1173176.3-1.700112.7C98 L99 T104 V105 F106 Y185 F741C98-Q102 PolarHBondContact O-N 3.29Å; L99-Q102 PolarHBondContact O-N 3.17Å; Q102-T104 VanDerWaalsContact C-N 3.26Å; Q102-T104 PolarHBondContact O-N 3.38Å; Q102-V105 PolarHBondContact O-N 3.08Å; Q102-V105 VanDerWaalsContact O-N 3.12Å; Q102-F106 PolarHBondContact O-N 3.08Å; Q102-Y185 PolarHBondContact NE2-O 2.79Å; Q102-F741 HydrophobicContact CB-CE2 3.89Å; Q102-F741 HydrophobicContact CB-CZ 4.26Å; Q102-F741 HydrophobicContact CG-CE2 3.71Å; Q102-F741 HydrophobicContact CG-CZ 3.58Å
103Y97.5Very high96.3Very high44 Ų4417.4 Ų17.417%0.1738%0.084CC..Hα-helixtrans-65.9-31.2179.2-79.87.3000112L99 T100 S101 F106 L107 F141 P142 T189L99-Y103 HydrophobicContact CD1-CD1 3.85Å; L99-Y103 HydrophobicContact CD1-CE1 3.56Å; L99-Y103 HydrophobicContact CD1-CE2 4.39Å; L99-Y103 HydrophobicContact CD1-CG 4.38Å; L99-Y103 HydrophobicContact CG-CE1 4.41Å; L99-Y103 HydrophobicContact CG-CE2 4.43Å; L99-Y103 WeakPolarHBondContact O-CB 3.32Å; L99-Y103 PolarHBondContact O-N 2.95Å; T100-Y103 PolarHBondContact O-N 3.16Å; S101-Y103 PolarHBondContact O-N 3.4Å; Y103-F106 WeakPolarHBondContact O-CB 3.41Å; Y103-F106 PolarHBondContact O-N 2.67Å; Y103-L107 VanDerWaalsContact O-CG 3.26Å; Y103-L107 WeakPolarHBondContact O-CG 3.46Å; Y103-L107 PolarHBondContact O-N 2.79Å; Y103-F141 HydrophobicContact CD2-CD1 4.32Å; Y103-F141 AromaticContact CE2-CD1 3.54Å; Y103-F141 HydrophobicContact CE2-CD1 3.54Å; Y103-F141 AromaticContact CE2-CE1 3.63Å; Y103-F141 HydrophobicContact CE2-CE1 3.63Å; Y103-P142 HydrophobicContact CD2-CG 4.3Å; Y103-T189 HydrophobicContact CE1-CG2 4.41Å
104T97.2Very high96.1Very high0 Ų016.6 Ų16.60%08%0.082CC..Hα-helixtrans-63.9-41.9171.8-590000111.2F52 L56 T100 S101 Q102 L107 I108F52-T104 HydrophobicContact CB-CG2 4.29Å; F52-T104 WeakPolarHBondContact O-CG2 3.31Å; L56-T104 HydrophobicContact CB-CG2 3.87Å; L56-T104 HydrophobicContact CD1-CG2 4.17Å; T100-T104 WeakPolarHBondContact O-CB 3.26Å; T100-T104 PolarHBondContact O-N 3.35Å; T100-T104 PolarHBondContact O-OG1 3.49Å; S101-T104 WeakPolarHBondContact O-CB 3.24Å; S101-T104 PolarHBondContact O-N 2.99Å; S101-T104 VanDerWaalsContact O-N 3.16Å; Q102-T104 VanDerWaalsContact C-N 3.26Å; Q102-T104 PolarHBondContact O-N 3.38Å; T104-L107 PolarHBondContact O-N 3.4Å; T104-I108 HydrophobicContact CG2-CD1 4.35Å; T104-I108 VanDerWaalsContact O-CG1 3.29Å; T104-I108 WeakPolarHBondContact O-CG1 3.36Å; T104-I108 PolarHBondContact O-N 3.23Å
105V95.4Very high95.7Very high1 Ų118.5 Ų18.51%0.0069%0.092CC..Hα-helixtrans-64.7-39174.2-176.80000111.8L56 S101 Q102 I108 T109 M193 I737 L738 F741L56-V105 HydrophobicContact CD1-CG2 3.88Å; L56-V105 HydrophobicContact CD2-CG2 4.26Å; S101-V105 WeakPolarHBondContact O-CG2 3.47Å; S101-V105 PolarHBondContact O-N 2.92Å; Q102-V105 PolarHBondContact O-N 3.08Å; Q102-V105 VanDerWaalsContact O-N 3.12Å; V105-I108 PolarHBondContact O-N 3.22Å; V105-T109 PolarHBondContact O-N 2.92Å; V105-T109 PolarHBondContact O-OG1 3.09Å; V105-M193 HydrophobicContact CB-CE 4.19Å; V105-M193 HydrophobicContact CG1-CE 3.52Å; V105-I737 HydrophobicContact CG1-CG2 3.79Å; V105-I737 HydrophobicContact CG2-CG2 4.41Å; V105-L738 HydrophobicContact CG1-CD2 4.18Å; V105-F741 HydrophobicContact CG2-CD2 4.44Å
106F96.9Very high95.3Very high46 Ų4618.4 Ų18.420%0.2029%0.093CC..Hα-helixtrans-58.8-48.1172.1170.1-112.2000111.8Q102 Y103 I108 T109 L110 T189 I192 M193 L196Q102-F106 PolarHBondContact O-N 3.08Å; Y103-F106 WeakPolarHBondContact O-CB 3.41Å; Y103-F106 PolarHBondContact O-N 2.67Å; F106-I108 VanDerWaalsContact C-N 3.35Å; F106-I108 PolarHBondContact O-N 3.47Å; F106-T109 WeakPolarHBondContact O-CB 3.24Å; F106-T109 PolarHBondContact O-N 3.12Å; F106-T109 VanDerWaalsContact O-N 3.09Å; F106-L110 HydrophobicContact CD1-CD1 3.92Å; F106-L110 HydrophobicContact CD2-CD1 4.4Å; F106-L110 HydrophobicContact CD2-CG 4.43Å; F106-L110 HydrophobicContact CE1-CD1 3.31Å; F106-L110 HydrophobicContact CE1-CG 4.29Å; F106-L110 HydrophobicContact CE2-CD1 3.86Å; F106-L110 HydrophobicContact CE2-CG 3.99Å; F106-L110 HydrophobicContact CG-CD1 4.44Å; F106-L110 HydrophobicContact CZ-CD1 3.29Å; F106-L110 HydrophobicContact CZ-CD2 4.45Å; F106-L110 HydrophobicContact CZ-CG 3.94Å; F106-L110 PolarHBondContact O-N 2.75Å; F106-T189 HydrophobicContact CB-CG2 4.14Å; F106-T189 HydrophobicContact CD2-CG2 4.18Å; F106-T189 HydrophobicContact CG-CG2 4.21Å; F106-I192 HydrophobicContact CE2-CB 4.38Å; F106-I192 HydrophobicContact CE2-CG2 3.73Å; F106-I192 HydrophobicContact CZ-CG2 4.46Å; F106-M193 HydrophobicContact CB-CG 4.24Å; F106-M193 HydrophobicContact CB-SD 3.92Å; F106-M193 HydrophobicContact CD2-CG 3.69Å; F106-M193 HydrophobicContact CD2-SD 4.4Å; F106-M193 HydrophobicContact CG-CG 4.47Å; F106-L196 HydrophobicContact CE2-CD1 4.19Å
107L97Very high94.9Very high18 Ų1823.8 Ų23.89%0.09412%0.115CC..Hα-helixtrans-63.2-37.5177-68.9179.4000112.5F52 Y103 T104 T109 L110 D111 M134F52-L107 HydrophobicContact CD1-CB 3.98Å; F52-L107 HydrophobicContact CD1-CD1 4.3Å; F52-L107 HydrophobicContact CE1-CB 3.81Å; F52-L107 HydrophobicContact CE1-CD1 3.88Å; F52-L107 HydrophobicContact CE1-CG 4.42Å; F52-L107 HydrophobicContact CZ-CB 4.32Å; Y103-L107 VanDerWaalsContact O-CG 3.26Å; Y103-L107 WeakPolarHBondContact O-CG 3.46Å; Y103-L107 PolarHBondContact O-N 2.79Å; T104-L107 PolarHBondContact O-N 3.4Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 3.05Å; L107-L110 HydrophobicContact CD2-CD1 4.34Å; L107-L110 PolarHBondContact O-N 3.5Å; L107-D111 WeakPolarHBondContact O-CB 3.5Å; L107-D111 PolarHBondContact O-N 3.36Å; L107-M134 HydrophobicContact CD1-CB 4.3Å; L107-M134 HydrophobicContact CD2-CE 3.7Å
108I94.7Very high94.4Very high10 Ų1027.8 Ų27.85%0.05114%0.136CC..Hα-helixtrans-59.2-46.3171.2-69.6166.8000109.9F52 T104 V105 F106 D111 R112F52-I108 HydrophobicContact CB-CD1 4.16Å; F52-I108 HydrophobicContact CB-CG1 3.53Å; F52-I108 HydrophobicContact CG-CG1 4.29Å; T104-I108 HydrophobicContact CG2-CD1 4.35Å; T104-I108 VanDerWaalsContact O-CG1 3.29Å; T104-I108 WeakPolarHBondContact O-CG1 3.36Å; T104-I108 PolarHBondContact O-N 3.23Å; V105-I108 PolarHBondContact O-N 3.22Å; F106-I108 VanDerWaalsContact C-N 3.35Å; F106-I108 PolarHBondContact O-N 3.47Å; I108-D111 PolarHBondContact O-N 2.85Å; I108-R112 HydrophobicContact CG2-CG 4.43Å; I108-R112 WeakPolarHBondContact O-CB 3.26Å; I108-R112 WeakPolarHBondContact O-CG 3.44Å; I108-R112 PolarHBondContact O-N 2.92Å
109T94.9Very high93.9Very high2 Ų230.8 Ų30.81%0.01216%0.155CC..Hα-helixtrans-64.6-43.5-179.1-55.20000111.6V105 F106 L107 R112 F113 L196 I200 L738V105-T109 PolarHBondContact O-N 2.92Å; V105-T109 PolarHBondContact O-OG1 3.09Å; F106-T109 WeakPolarHBondContact O-CB 3.24Å; F106-T109 PolarHBondContact O-N 3.12Å; F106-T109 VanDerWaalsContact O-N 3.09Å; L107-T109 VanDerWaalsContact C-N 3.32Å; L107-T109 PolarHBondContact O-N 3.05Å; T109-R112 PolarHBondContact O-N 3.34Å; T109-F113 WeakPolarHBondContact O-CB 3.49Å; T109-F113 PolarHBondContact O-N 3.28Å; T109-L196 HydrophobicContact CG2-CB 3.83Å; T109-L196 HydrophobicContact CG2-CD1 4.23Å; T109-I200 HydrophobicContact CG2-CD1 4.47Å; T109-L738 HydrophobicContact CG2-CD1 4.32Å
110L95.4Very high93.4Very high48 Ų4833.9 Ų33.925%0.25118%0.181SC..Hα-helixtrans-61.8-48.5173.8-81.3175.1000112.6F106 L107 R112 F113 C114 L196F106-L110 HydrophobicContact CD1-CD1 3.92Å; F106-L110 HydrophobicContact CD2-CD1 4.4Å; F106-L110 HydrophobicContact CD2-CG 4.43Å; F106-L110 HydrophobicContact CE1-CD1 3.31Å; F106-L110 HydrophobicContact CE1-CG 4.29Å; F106-L110 HydrophobicContact CE2-CD1 3.86Å; F106-L110 HydrophobicContact CE2-CG 3.99Å; F106-L110 HydrophobicContact CG-CD1 4.44Å; F106-L110 HydrophobicContact CZ-CD1 3.29Å; F106-L110 HydrophobicContact CZ-CD2 4.45Å; F106-L110 HydrophobicContact CZ-CG 3.94Å; F106-L110 PolarHBondContact O-N 2.75Å; L107-L110 HydrophobicContact CD2-CD1 4.34Å; L107-L110 PolarHBondContact O-N 3.5Å; L110-R112 PolarHBondContact O-N 3.4Å; L110-F113 PolarHBondContact O-N 3.1Å; L110-C114 PolarHBondContact O-N 3.1Å; L110-C114 PolarHBondContact O-SG 3.45Å; L110-C114 VanDerWaalsContact O-SG 3.39Å; L110-L196 HydrophobicContact CD2-CD1 3.42Å; L110-L196 VanDerWaalsContact CD2-CD1 3.42Å; L110-L196 HydrophobicContact CD2-CD2 4Å; L110-L196 HydrophobicContact CD2-CG 4.36Å; L110-L196 HydrophobicContact CG-CD1 3.78Å
111D94.3Very high93.1Very high2 Ų241.6 Ų41.61%0.01122%0.215CC..Hα-helixtrans-55.2-43.6177.5179.867.8000110.3S49 F52 L107 I108 C114 L115 Y122 R126S49-D111 PolarHBondContact OG-OD2 2.9Å; F52-D111 HydrophobicContact CD2-CB 4.4Å; F52-D111 HydrophobicContact CE2-CB 3.95Å; L107-D111 WeakPolarHBondContact O-CB 3.5Å; L107-D111 PolarHBondContact O-N 3.36Å; I108-D111 PolarHBondContact O-N 2.85Å; D111-C114 PolarHBondContact O-N 2.92Å; D111-L115 WeakPolarHBondContact O-CB 3.24Å; D111-L115 VanDerWaalsContact O-CG 3.22Å; D111-L115 WeakPolarHBondContact O-CG 3.42Å; D111-L115 PolarHBondContact O-N 3.31Å; D111-L115 WeakPolarHBondContact OD2-CD1 3.23Å; D111-Y122 VanDerWaalsContact OD1-CE1 3.24Å; D111-Y122 WeakPolarHBondContact OD1-CE1 3.29Å; D111-Y122 PolarHBondContact OD1-OH 3.47Å; D111-R126 WeakPolarHBondContact OD1-CD 3.5Å; D111-R126 IonicContact OD1-CZ 3.18Å; D111-R126 IonicContact OD1-NE 3.73Å; D111-R126 IonicContact OD1-NH1 2.63Å; D111-R126 PolarHBondContact OD1-NH1 3.41Å; D111-R126 IonicContact OD2-NH1 3.82Å; D111-R126 PolarHBondContact OD2-NH1 2.9Å; D111-R126 VanDerWaalsContact OD2-NH1 3.1Å
112R92.2Very high92.9Very high42 Ų4242.9 Ų42.916%0.15822%0.22CC..Hα-helixtrans-69.3-41-180-65-69.8172.7-133.3-0.3112.6S49 I108 T109 L110 L115 V116 I200 I734S49-R112 VanDerWaalsContact CB-NH2 3.3Å; S49-R112 PolarHBondContact OG-NH1 3.3Å; I108-R112 HydrophobicContact CG2-CG 4.43Å; I108-R112 WeakPolarHBondContact O-CB 3.26Å; I108-R112 WeakPolarHBondContact O-CG 3.44Å; I108-R112 PolarHBondContact O-N 2.92Å; T109-R112 PolarHBondContact O-N 3.34Å; L110-R112 PolarHBondContact O-N 3.4Å; R112-L115 PolarHBondContact O-N 2.84Å; R112-V116 WeakPolarHBondContact O-CB 3.43Å; R112-V116 VanDerWaalsContact O-CG2 3.29Å; R112-V116 WeakPolarHBondContact O-CG2 3.25Å; R112-V116 PolarHBondContact O-N 2.76Å; R112-I200 HydrophobicContact CB-CD1 3.99Å; R112-I734 HydrophobicContact CB-CD1 3.36Å; R112-I734 HydrophobicContact CB-CG1 4.27Å; R112-I734 HydrophobicContact CG-CD1 3.43Å; R112-I734 VanDerWaalsContact CG-CD1 3.43Å; R112-I734 HydrophobicContact CG-CG1 3.9Å
113F93.1Very high92.6Very high39 Ų3951.7 Ų51.717%0.17125%0.253CS..Hα-helixtrans-60-47.9173.8179.2-102.4000112T109 L110 L115 V116 K117 L196 I200T109-F113 WeakPolarHBondContact O-CB 3.49Å; T109-F113 PolarHBondContact O-N 3.28Å; L110-F113 PolarHBondContact O-N 3.1Å; F113-L115 PolarHBondContact O-N 3.34Å; F113-V116 PolarHBondContact O-N 3.15Å; F113-K117 HydrophobicContact CE1-CD 3.67Å; F113-K117 HydrophobicContact CE2-CD 4.09Å; F113-K117 HydrophobicContact CZ-CD 3.39Å; F113-K117 VanDerWaalsContact O-CB 3.26Å; F113-K117 WeakPolarHBondContact O-CB 3.48Å; F113-K117 PolarHBondContact O-N 3.35Å; F113-L196 HydrophobicContact CB-CD2 4.23Å; F113-L196 HydrophobicContact CD1-CD2 3.77Å; F113-L196 HydrophobicContact CD2-CD2 4.28Å; F113-L196 HydrophobicContact CE1-CD2 4.1Å; F113-L196 HydrophobicContact CG-CD2 3.84Å; F113-L196 HydrophobicContact CZ-CD2 4.49Å; F113-I200 HydrophobicContact CB-CD1 4.12Å; F113-I200 HydrophobicContact CB-CG1 3.89Å; F113-I200 HydrophobicContact CD2-CG1 3.89Å; F113-I200 HydrophobicContact CG-CG1 4.4Å
114C93.4Very high92.3Very high39 Ų3956 Ų5626%0.26428%0.279SS..Hα-helixtrans-64.5-41.3179.3-68.50000112.5L110 D111 V116 I118 Y122L110-C114 PolarHBondContact O-N 3.1Å; L110-C114 PolarHBondContact O-SG 3.45Å; L110-C114 VanDerWaalsContact O-SG 3.39Å; D111-C114 PolarHBondContact O-N 2.92Å; C114-V116 VanDerWaalsContact C-N 3.33Å; C114-V116 PolarHBondContact O-N 2.97Å; C114-I118 CarbonylContact O-C 3.49Å; C114-I118 PolarHBondContact O-N 2.98Å; C114-Y122 HydrophobicContact CB-CD1 3.64Å; C114-Y122 HydrophobicContact CB-CD2 3.5Å; C114-Y122 HydrophobicContact CB-CE1 3.74Å; C114-Y122 HydrophobicContact CB-CE2 3.61Å; C114-Y122 HydrophobicContact CB-CG 3.52Å
115L90.7Very high92.1Very high39 Ų3962.1 Ų62.120%0.20430%0.302CS..Hα-helixtrans-61.9-38.3174.6-77.2170.6000113.3D111 R112 F113 P119 Y122D111-L115 WeakPolarHBondContact O-CB 3.24Å; D111-L115 VanDerWaalsContact O-CG 3.22Å; D111-L115 WeakPolarHBondContact O-CG 3.42Å; D111-L115 PolarHBondContact O-N 3.31Å; D111-L115 WeakPolarHBondContact OD2-CD1 3.23Å; R112-L115 PolarHBondContact O-N 2.84Å; F113-L115 PolarHBondContact O-N 3.34Å; L115-P119 WeakPolarHBondContact O-CA 3.32Å; L115-P119 WeakPolarHBondContact O-CB 3.5Å; L115-Y122 HydrophobicContact CD2-CD1 3.81Å; L115-Y122 HydrophobicContact CD2-CE1 4.12Å; L115-Y122 HydrophobicContact CG-CD1 3.86Å; L115-Y122 HydrophobicContact CG-CE1 3.87Å
116V87.9Confident92Very high21 Ų2163.8 Ų63.813%0.12731%0.308CS..Hα-helixtrans-80.8-39.9-177.5170.50000111.2R112 F113 C114 I200 V203R112-V116 WeakPolarHBondContact O-CB 3.43Å; R112-V116 VanDerWaalsContact O-CG2 3.29Å; R112-V116 WeakPolarHBondContact O-CG2 3.25Å; R112-V116 PolarHBondContact O-N 2.76Å; F113-V116 PolarHBondContact O-N 3.15Å; C114-V116 VanDerWaalsContact C-N 3.33Å; C114-V116 PolarHBondContact O-N 2.97Å; V116-I200 HydrophobicContact CB-CG2 4.44Å; V116-I200 HydrophobicContact CG1-CG2 4.35Å; V116-I200 HydrophobicContact CG2-CG2 4.17Å; V116-V203 HydrophobicContact CG1-CB 3.84Å; V116-V203 HydrophobicContact CG1-CG1 3.55Å
117K88.4Confident91.9Very high123 Ų12364.6 Ų64.654%0.53532%0.317SS..Hα-helixtrans-78.7-40.3-177.1-171.9175.5175.8-176.80113F113F113-K117 HydrophobicContact CE1-CD 3.67Å; F113-K117 HydrophobicContact CE2-CD 4.09Å; F113-K117 HydrophobicContact CZ-CD 3.39Å; F113-K117 VanDerWaalsContact O-CB 3.26Å; F113-K117 WeakPolarHBondContact O-CB 3.48Å; F113-K117 PolarHBondContact O-N 3.35Å
118I89Confident91.8Very high87 Ų8768.9 Ų68.945%0.44633%0.333SS..SBendtrans-13965.5-173.2-36.5176.9000110.9C114 A120 K121 Y122C114-I118 CarbonylContact O-C 3.49Å; C114-I118 PolarHBondContact O-N 2.98Å; I118-A120 PolarHBondContact O-N 3.37Å; I118-K121 HydrophobicContact CG2-CB 3.69Å; I118-K121 HydrophobicContact CG2-CD 4.48Å; I118-Y122 VanDerWaalsContact O-CB 3.26Å; I118-Y122 WeakPolarHBondContact O-CB 3.29Å; I118-Y122 PolarHBondContact O-N 3.04Å
119P86.3Confident91.8Very high79 Ų7973.4 Ų73.451%0.51336%0.357SS..Hα-helixtrans-58.7-46.5-16720.3-32.7000114.1L115 R123L115-P119 WeakPolarHBondContact O-CA 3.32Å; L115-P119 WeakPolarHBondContact O-CB 3.5Å; P119-R123 WeakPolarHBondContact O-CB 3.43Å; P119-R123 PolarHBondContact O-N 3.12Å
120A86.3Confident91.9Very high69 Ų6976.6 Ų76.657%0.5737%0.371SS*.Hα-helixtrans-69.4-53.2-174.600000112.3I118 Y122 R123 N124I118-A120 PolarHBondContact O-N 3.37Å; A120-Y122 PolarHBondContact O-N 3.18Å; A120-R123 PolarHBondContact O-N 3.09Å; A120-N124 PolarHBondContact O-N 3.31Å
121K91.7Very high92Very high164 Ų16474.4 Ų74.471%0.71336%0.359SS*.Hα-helixtrans-61-45.9-179.6-171.6175.7-179.3174.50111.5I118 W125I118-K121 HydrophobicContact CG2-CB 3.69Å; I118-K121 HydrophobicContact CG2-CD 4.48Å; K121-W125 WeakPolarHBondContact O-CB 3.36Å; K121-W125 PolarHBondContact O-N 3.19Å
122Y92.2Very high92.1Very high27 Ų2780 Ų8011%0.10638%0.38CS..Hα-helixtrans-72.4-38.8-177.3-175.8-107.8000112.5D111 C114 L115 I118 A120 N124 W125 R126D111-Y122 VanDerWaalsContact OD1-CE1 3.24Å; D111-Y122 WeakPolarHBondContact OD1-CE1 3.29Å; D111-Y122 PolarHBondContact OD1-OH 3.47Å; C114-Y122 HydrophobicContact CB-CD1 3.64Å; C114-Y122 HydrophobicContact CB-CD2 3.5Å; C114-Y122 HydrophobicContact CB-CE1 3.74Å; C114-Y122 HydrophobicContact CB-CE2 3.61Å; C114-Y122 HydrophobicContact CB-CG 3.52Å; L115-Y122 HydrophobicContact CD2-CD1 3.81Å; L115-Y122 HydrophobicContact CD2-CE1 4.12Å; L115-Y122 HydrophobicContact CG-CD1 3.86Å; L115-Y122 HydrophobicContact CG-CE1 3.87Å; I118-Y122 VanDerWaalsContact O-CB 3.26Å; I118-Y122 WeakPolarHBondContact O-CB 3.29Å; I118-Y122 PolarHBondContact O-N 3.04Å; A120-Y122 PolarHBondContact O-N 3.18Å; Y122-N124 VanDerWaalsContact C-N 3.28Å; Y122-N124 PolarHBondContact O-N 2.86Å; Y122-W125 AromaticContact CD2-CE3 3.98Å; Y122-W125 HydrophobicContact CD2-CE3 3.98Å; Y122-W125 HydrophobicContact CD2-CZ3 4.47Å; Y122-W125 AromaticContact CE2-CE3 3.73Å; Y122-W125 HydrophobicContact CE2-CE3 3.73Å; Y122-W125 AromaticContact CE2-CZ3 3.79Å; Y122-W125 HydrophobicContact CE2-CZ3 3.79Å; Y122-W125 PolarHBondContact O-N 3.21Å; Y122-R126 HydrophobicContact CE1-CB 4.3Å; Y122-R126 HydrophobicContact CE1-CG 4.45Å; Y122-R126 WeakPolarHBondContact O-CB 3.33Å; Y122-R126 PolarHBondContact O-N 3.45Å
123R89.7Confident92.4Very high186 Ų18682.8 Ų82.870%0.70240%0.397SS*.Hα-helixtrans-60.6-37.9176.6-175.5175.3-174.2170.90.8112.3P119 A120P119-R123 WeakPolarHBondContact O-CB 3.43Å; P119-R123 PolarHBondContact O-N 3.12Å; A120-R123 PolarHBondContact O-N 3.09Å
124N90.9Very high92.6Very high135 Ų13583 Ų8372%0.72240%0.399SS*.Hα-helixtrans-74.9-35.5176.8-68.5-7.7000112.2A120 Y122A120-N124 PolarHBondContact O-N 3.31Å; Y122-N124 VanDerWaalsContact C-N 3.28Å; Y122-N124 PolarHBondContact O-N 2.86Å
125W93.8Very high92.8Very high127 Ų12782.3 Ų82.348%0.48139%0.393SS..Hα-helixtrans-70.9-35.3177.2178.693.1000112.7K121 Y122 T127 K130K121-W125 WeakPolarHBondContact O-CB 3.36Å; K121-W125 PolarHBondContact O-N 3.19Å; Y122-W125 AromaticContact CD2-CE3 3.98Å; Y122-W125 HydrophobicContact CD2-CE3 3.98Å; Y122-W125 HydrophobicContact CD2-CZ3 4.47Å; Y122-W125 AromaticContact CE2-CE3 3.73Å; Y122-W125 HydrophobicContact CE2-CE3 3.73Å; Y122-W125 AromaticContact CE2-CZ3 3.79Å; Y122-W125 HydrophobicContact CE2-CZ3 3.79Å; Y122-W125 PolarHBondContact O-N 3.21Å; W125-T127 PolarHBondContact O-N 3Å; W125-T127 VanDerWaalsContact O-N 3.12Å; W125-K130 HydrophobicContact CD2-CD 4.09Å; W125-K130 HydrophobicContact CE3-CD 4.34Å; W125-K130 HydrophobicContact CH2-CD 4.12Å; W125-K130 HydrophobicContact CZ2-CD 3.86Å; W125-K130 HydrophobicContact CZ3-CD 4.35Å; W125-K130 VanDerWaalsContact O-CD 3.27Å; W125-K130 WeakPolarHBondContact O-CD 3.32Å; W125-K130 PolarHBondContact O-NZ 3.25Å
126R93.1Very high93.2Very high37 Ų3783.7 Ų83.714%0.1441%0.405CS..  trans-78.893.2-172.4-174.5-174.464.5175.73.3111.9P48 S49 D111 Y122 V131P48-R126 HydrophobicContact CB-CG 4.25Å; S49-R126 PolarHBondContact OG-NH1 3.43Å; D111-R126 WeakPolarHBondContact OD1-CD 3.5Å; D111-R126 IonicContact OD1-CZ 3.18Å; D111-R126 IonicContact OD1-NE 3.73Å; D111-R126 IonicContact OD1-NH1 2.63Å; D111-R126 PolarHBondContact OD1-NH1 3.41Å; D111-R126 IonicContact OD2-NH1 3.82Å; D111-R126 PolarHBondContact OD2-NH1 2.9Å; D111-R126 VanDerWaalsContact OD2-NH1 3.1Å; Y122-R126 HydrophobicContact CE1-CB 4.3Å; Y122-R126 HydrophobicContact CE1-CG 4.45Å; Y122-R126 WeakPolarHBondContact O-CB 3.33Å; Y122-R126 PolarHBondContact O-N 3.45Å; R126-V131 HydrophobicContact CG-CG2 3.83Å
127T94.9Very high93.7Very high63 Ų6387.6 Ų87.639%0.38742%0.424SS..  trans-95.1160.7173.364.50000111.7W125 N129 K130 V131W125-T127 PolarHBondContact O-N 3Å; W125-T127 VanDerWaalsContact O-N 3.12Å; T127-N129 VanDerWaalsContact C-N 3.3Å; T127-N129 PolarHBondContact O-N 2.86Å; T127-K130 PolarHBondContact O-N 3Å; T127-K130 WeakPolarHBondContact OG1-CG 3.38Å; T127-K130 PolarHBondContact OG1-N 2.97Å; T127-V131 PolarHBondContact O-N 3.37Å
128Y94.6Very high94.1Very high107 Ų10782 Ų8242%0.4240%0.4SS..Hα-helixtrans-57.3-42.2175.5-66.5-84.5000112.5R46 P48 Y51 K130 V131 R132R46-Y128 WeakPolarHBondContact O-CE1 3.31Å; R46-Y128 PolarHBondContact O-OH 3.49Å; P48-Y128 HydrophobicContact CG-CD1 4.02Å; P48-Y128 HydrophobicContact CG-CE1 3.78Å; P48-Y128 HydrophobicContact CG-CE2 4.39Å; P48-Y128 HydrophobicContact CG-CG 4.44Å; Y51-Y128 HydrophobicContact CD2-CD1 4.37Å; Y51-Y128 AromaticContact CE2-CD1 3.68Å; Y51-Y128 HydrophobicContact CE2-CD1 3.68Å; Y51-Y128 AromaticContact CE2-CE1 3.9Å; Y51-Y128 HydrophobicContact CE2-CE1 3.9Å; Y128-K130 PolarHBondContact O-N 2.9Å; Y128-V131 PolarHBondContact O-N 2.96Å; Y128-R132 WeakPolarHBondContact O-CG 3.37Å; Y128-R132 PolarHBondContact O-N 3.27Å
129N96Very high94.6Very high106 Ų10681.3 Ų81.357%0.56739%0.392SS*.Hα-helixtrans-63.4-42.9-179.6-67.9-5.4000111.7T127 V131 R132 I133T127-N129 VanDerWaalsContact C-N 3.3Å; T127-N129 PolarHBondContact O-N 2.86Å; N129-V131 PolarHBondContact O-N 2.93Å; N129-R132 PolarHBondContact O-N 3.28Å; N129-I133 VanDerWaalsContact O-CG1 3.28Å; N129-I133 WeakPolarHBondContact O-CG1 3.38Å; N129-I133 PolarHBondContact O-N 2.89Å
130K96.8Very high95.1Very high69 Ų6982.6 Ų82.630%0.339%0.393SS..Hα-helixtrans-62.8-43.3176.7-72.8176.1-177.5172.70112W125 T127 Y128 R132 I133 M134W125-K130 HydrophobicContact CD2-CD 4.09Å; W125-K130 HydrophobicContact CE3-CD 4.34Å; W125-K130 HydrophobicContact CH2-CD 4.12Å; W125-K130 HydrophobicContact CZ2-CD 3.86Å; W125-K130 HydrophobicContact CZ3-CD 4.35Å; W125-K130 VanDerWaalsContact O-CD 3.27Å; W125-K130 WeakPolarHBondContact O-CD 3.32Å; W125-K130 PolarHBondContact O-NZ 3.25Å; T127-K130 PolarHBondContact O-N 3Å; T127-K130 WeakPolarHBondContact OG1-CG 3.38Å; T127-K130 PolarHBondContact OG1-N 2.97Å; Y128-K130 PolarHBondContact O-N 2.9Å; K130-R132 PolarHBondContact O-N 3.34Å; K130-I133 PolarHBondContact O-N 3.28Å; K130-M134 VanDerWaalsContact O-CG 3.28Å; K130-M134 WeakPolarHBondContact O-CG 3.11Å; K130-M134 PolarHBondContact O-N 2.89Å
131V97.2Very high95.7Very high1 Ų183.8 Ų83.81%0.00639%0.386CS..Hα-helixtrans-62.6-42.4176.4172.20000111.4P48 F52 R126 T127 Y128 N129 I133 M134 I135P48-V131 HydrophobicContact CB-CG2 4.03Å; F52-V131 HydrophobicContact CD1-CG1 4.46Å; F52-V131 HydrophobicContact CD2-CG1 4.47Å; F52-V131 HydrophobicContact CE1-CG1 3.99Å; F52-V131 HydrophobicContact CE2-CG1 4Å; F52-V131 HydrophobicContact CE2-CG2 4.37Å; F52-V131 HydrophobicContact CZ-CB 4.44Å; F52-V131 HydrophobicContact CZ-CG1 3.74Å; F52-V131 HydrophobicContact CZ-CG2 4.27Å; R126-V131 HydrophobicContact CG-CG2 3.83Å; T127-V131 PolarHBondContact O-N 3.37Å; Y128-V131 PolarHBondContact O-N 2.96Å; N129-V131 PolarHBondContact O-N 2.93Å; V131-I133 PolarHBondContact O-N 2.86Å; V131-M134 PolarHBondContact O-N 2.78Å; V131-I135 HydrophobicContact CG1-CD1 3.99Å; V131-I135 WeakPolarHBondContact O-CG1 3.42Å; V131-I135 PolarHBondContact O-N 3.25Å
132R96.5Very high96Very high120 Ų12076 Ų7645%0.45335%0.352SS..Hα-helixtrans-61.3-42.9175.1-71.7176.7-173.5173.30.1112.1Y51 Y128 N129 K130 I135 C136Y51-R132 PolarHBondContact OH-NH2 3.04Å; Y128-R132 WeakPolarHBondContact O-CG 3.37Å; Y128-R132 PolarHBondContact O-N 3.27Å; N129-R132 PolarHBondContact O-N 3.28Å; K130-R132 PolarHBondContact O-N 3.34Å; R132-I135 PolarHBondContact O-N 3.28Å; R132-C136 PolarHBondContact O-N 3.37Å; R132-C136 PolarHBondContact O-SG 3.14Å
133I97.8Very high96.2Very high100 Ų10076.5 Ų76.551%0.51336%0.362SS..Hα-helixtrans-61.1-45.3175.7-68.2163.5000110.8N129 K130 V131 I135 C136 I137N129-I133 VanDerWaalsContact O-CG1 3.28Å; N129-I133 WeakPolarHBondContact O-CG1 3.38Å; N129-I133 PolarHBondContact O-N 2.89Å; K130-I133 PolarHBondContact O-N 3.28Å; V131-I133 PolarHBondContact O-N 2.86Å; I133-I135 VanDerWaalsContact C-N 3.28Å; I133-I135 PolarHBondContact O-N 3.46Å; I133-C136 PolarHBondContact O-N 3.13Å; I133-I137 HydrophobicContact CG2-CD1 3.83Å; I133-I137 HydrophobicContact CG2-CG1 4.44Å; I133-I137 WeakPolarHBondContact O-CG1 3.39Å; I133-I137 PolarHBondContact O-N 3.22Å
134M97.7Very high96.6Very high45 Ų4570.9 Ų70.922%0.22235%0.348CS..Hα-helixtrans-58.5-41176.5-68.5167.667.100111.9F52 L107 K130 V131 S138F52-M134 HydrophobicContact CE1-CB 4.33Å; F52-M134 HydrophobicContact CE1-CE 4.4Å; F52-M134 HydrophobicContact CZ-CE 3.89Å; F52-M134 HydrophobicContact CZ-SD 4.32Å; L107-M134 HydrophobicContact CD1-CB 4.3Å; L107-M134 HydrophobicContact CD2-CE 3.7Å; K130-M134 VanDerWaalsContact O-CG 3.28Å; K130-M134 WeakPolarHBondContact O-CG 3.11Å; K130-M134 PolarHBondContact O-N 2.89Å; V131-M134 PolarHBondContact O-N 2.78Å; M134-S138 PolarHBondContact O-N 3.37Å; M134-S138 VanDerWaalsContact O-N 3.09Å
135I98.2Very high96.9Very high23 Ų2366.6 Ų66.612%0.11833%0.325CS..Hα-helixtrans-65.5-49.8174.3-67.9166000110.4Y51 F52 S55 V131 R132 I133 I137 S138 W139Y51-I135 WeakPolarHBondContact O-CD1 3.33Å; F52-I135 HydrophobicContact CD1-CD1 4.1Å; F52-I135 HydrophobicContact CD1-CG1 3.79Å; F52-I135 HydrophobicContact CE1-CD1 4.42Å; F52-I135 HydrophobicContact CE1-CG1 3.92Å; S55-I135 WeakPolarHBondContact OG-CG2 3.31Å; V131-I135 HydrophobicContact CG1-CD1 3.99Å; V131-I135 WeakPolarHBondContact O-CG1 3.42Å; V131-I135 PolarHBondContact O-N 3.25Å; R132-I135 PolarHBondContact O-N 3.28Å; I133-I135 VanDerWaalsContact C-N 3.28Å; I133-I135 PolarHBondContact O-N 3.46Å; I135-I137 VanDerWaalsContact C-N 3.26Å; I135-I137 PolarHBondContact O-N 2.9Å; I135-S138 PolarHBondContact O-N 3.13Å; I135-S138 PolarHBondContact O-OG 3.23Å; I135-W139 VanDerWaalsContact O-CD1 3.23Å; I135-W139 PolarHBondContact O-N 3.05Å; I135-W139 VanDerWaalsContact O-N 3.12Å
136C98.2Very high97Very high69 Ų6960.6 Ų60.647%0.46630%0.303SS..Hα-helixtrans-56.5-41.8179.3-65.90000112.2R132 I133 S138 W139 I140R132-C136 PolarHBondContact O-N 3.37Å; R132-C136 PolarHBondContact O-SG 3.14Å; I133-C136 PolarHBondContact O-N 3.13Å; C136-S138 VanDerWaalsContact C-N 3.34Å; C136-S138 PolarHBondContact O-N 3.45Å; C136-W139 PolarHBondContact O-N 2.83Å; C136-I140 HydrophobicContact CB-CD1 4.49Å; C136-I140 WeakPolarHBondContact O-CB 3.26Å; C136-I140 VanDerWaalsContact O-CG1 3.27Å; C136-I140 WeakPolarHBondContact O-CG1 3.07Å; C136-I140 PolarHBondContact O-N 2.99Å
137I98.1Very high97.2Very high102 Ų10261.4 Ų61.452%0.52331%0.312SS..Hα-helixtrans-62-43175.3-66.5166.5000110.8I133 I135 W139 I140 F141I133-I137 HydrophobicContact CG2-CD1 3.83Å; I133-I137 HydrophobicContact CG2-CG1 4.44Å; I133-I137 WeakPolarHBondContact O-CG1 3.39Å; I133-I137 PolarHBondContact O-N 3.22Å; I135-I137 VanDerWaalsContact C-N 3.26Å; I135-I137 PolarHBondContact O-N 2.9Å; I137-W139 PolarHBondContact O-N 3.09Å; I137-I140 PolarHBondContact O-N 3.04Å; I137-F141 WeakPolarHBondContact O-CB 3.26Å; I137-F141 PolarHBondContact O-N 3.32Å
138S97.4Very high97.2Very high5 Ų564.3 Ų64.34%0.03532%0.324CS..Hα-helixtrans-66.8-17179.575.50000113.9T100 M134 I135 C136 P142T100-S138 WeakPolarHBondContact CG2-O 3.13Å; T100-S138 PolarHBondContact OG1-O 3.3Å; M134-S138 PolarHBondContact O-N 3.37Å; M134-S138 VanDerWaalsContact O-N 3.09Å; I135-S138 PolarHBondContact O-N 3.13Å; I135-S138 PolarHBondContact O-OG 3.23Å; C136-S138 VanDerWaalsContact C-N 3.34Å; C136-S138 PolarHBondContact O-N 3.45Å; S138-P142 WeakPolarHBondContact O-CD 3.35Å; S138-P142 WeakPolarHBondContact O-CG 3.36Å
139W98.4Very high97.2Very high74 Ų7460.4 Ų60.428%0.2831%0.31SS..Hα-helixtrans-92.2-46.7172.8-8076.2000112.2S55 M58 T59 L62 T100 I135 C136 I137 P142 A143S55-W139 PolarHBondContact OG-NE1 3.03Å; M58-W139 HydrophobicContact CB-CH2 4.44Å; M58-W139 HydrophobicContact CB-CZ2 4.08Å; M58-W139 HydrophobicContact CG-CH2 3.87Å; M58-W139 HydrophobicContact CG-CZ2 3.87Å; T59-W139 HydrophobicContact CG2-CH2 3.67Å; T59-W139 HydrophobicContact CG2-CZ2 3.41Å; T59-W139 VanDerWaalsContact CG2-CZ2 3.41Å; T59-W139 HydrophobicContact CG2-CZ3 4.45Å; L62-W139 HydrophobicContact CD1-CH2 3.52Å; L62-W139 HydrophobicContact CD1-CZ3 3.52Å; T100-W139 HydrophobicContact CG2-CB 4.43Å; T100-W139 HydrophobicContact CG2-CD2 3.65Å; T100-W139 HydrophobicContact CG2-CE3 4.3Å; T100-W139 HydrophobicContact CG2-CG 3.67Å; T100-W139 HydrophobicContact CG2-CZ2 4.24Å; I135-W139 VanDerWaalsContact O-CD1 3.23Å; I135-W139 PolarHBondContact O-N 3.05Å; I135-W139 VanDerWaalsContact O-N 3.12Å; C136-W139 PolarHBondContact O-N 2.83Å; I137-W139 PolarHBondContact O-N 3.09Å; W139-P142 WeakPolarHBondContact O-CD 3.46Å; W139-A143 WeakPolarHBondContact O-CB 3.4Å; W139-A143 PolarHBondContact O-N 3.47Å; W139-A143 VanDerWaalsContact O-N 3.14Å
140I98.4Very high97.2Very high105 Ų10555.9 Ų55.954%0.53829%0.286SS..Hα-helixtrans-66.1-42.4-176.4-67.2166.5000110.8C136 I137 A143 T144C136-I140 HydrophobicContact CB-CD1 4.49Å; C136-I140 WeakPolarHBondContact O-CB 3.26Å; C136-I140 VanDerWaalsContact O-CG1 3.27Å; C136-I140 WeakPolarHBondContact O-CG1 3.07Å; C136-I140 PolarHBondContact O-N 2.99Å; I137-I140 PolarHBondContact O-N 3.04Å; I140-A143 PolarHBondContact O-N 3.02Å; I140-T144 HydrophobicContact CG2-CG2 4.05Å; I140-T144 WeakPolarHBondContact O-CB 3.38Å; I140-T144 VanDerWaalsContact O-CG2 3.27Å; I140-T144 WeakPolarHBondContact O-CG2 3.29Å; I140-T144 PolarHBondContact O-N 3.3Å; I140-T144 PolarHBondContact O-OG1 3.47Å
141F97.6Very high97.1Very high95 Ų9555.8 Ų55.842%0.41729%0.286SS..Hα-helixtrans-62.2-52.6-178.2171.2-89.3000112.4L99 Y103 I137 A143 T144 L145L99-F141 HydrophobicContact CD2-CE1 4.43Å; Y103-F141 HydrophobicContact CD2-CD1 4.32Å; Y103-F141 AromaticContact CE2-CD1 3.54Å; Y103-F141 HydrophobicContact CE2-CD1 3.54Å; Y103-F141 AromaticContact CE2-CE1 3.63Å; Y103-F141 HydrophobicContact CE2-CE1 3.63Å; I137-F141 WeakPolarHBondContact O-CB 3.26Å; I137-F141 PolarHBondContact O-N 3.32Å; F141-A143 PolarHBondContact O-N 3.43Å; F141-T144 PolarHBondContact O-N 3.4Å; F141-T144 PolarHBondContact O-OG1 2.87Å; F141-L145 HydrophobicContact CE1-CD2 4.13Å; F141-L145 HydrophobicContact CZ-CD2 4.17Å; F141-L145 VanDerWaalsContact O-CB 3.3Å; F141-L145 WeakPolarHBondContact O-CB 3.48Å; F141-L145 PolarHBondContact O-N 3.39Å
142P98Very high96.8Very high0 Ų056.5 Ų56.50%029%0.293CS..Hα-helixtrans-61.4-43.6175.3-29.240.8000113.8S96 L99 Y103 S138 W139 T144 L145 F146S96-P142 PolarHBondContact OG-O 2.92Å; L99-P142 HydrophobicContact CB-CB 3.97Å; L99-P142 HydrophobicContact CB-CG 4.2Å; L99-P142 HydrophobicContact CD2-CB 3.81Å; L99-P142 HydrophobicContact CD2-CG 3.85Å; L99-P142 HydrophobicContact CG-CB 3.94Å; L99-P142 HydrophobicContact CG-CG 3.76Å; Y103-P142 HydrophobicContact CD2-CG 4.3Å; S138-P142 WeakPolarHBondContact O-CD 3.35Å; S138-P142 WeakPolarHBondContact O-CG 3.36Å; W139-P142 WeakPolarHBondContact O-CD 3.46Å; P142-T144 PolarHBondContact O-N 3.04Å; P142-L145 PolarHBondContact O-N 2.88Å; P142-F146 PolarHBondContact O-N 3.39Å
143A97.9Very high96.6Very high38 Ų3851.7 Ų51.731%0.31428%0.275SS..Hα-helixtrans-59.3-46.8-179.900000111.7S96 W139 I140 F141 T147S96-A143 WeakPolarHBondContact OG-CA 3.41Å; W139-A143 WeakPolarHBondContact O-CB 3.4Å; W139-A143 PolarHBondContact O-N 3.47Å; W139-A143 VanDerWaalsContact O-N 3.14Å; I140-A143 PolarHBondContact O-N 3.02Å; F141-A143 PolarHBondContact O-N 3.43Å; A143-T147 WeakPolarHBondContact O-CB 3.47Å; A143-T147 PolarHBondContact O-N 3.43Å; A143-T147 PolarHBondContact O-OG1 2.93Å
144T97.7Very high96.2Very high68 Ų6848.6 Ų48.642%0.41726%0.262SS..Hα-helixtrans-66.4-46.6177.551.60000111.6I140 F141 P142 L148I140-T144 HydrophobicContact CG2-CG2 4.05Å; I140-T144 WeakPolarHBondContact O-CB 3.38Å; I140-T144 VanDerWaalsContact O-CG2 3.27Å; I140-T144 WeakPolarHBondContact O-CG2 3.29Å; I140-T144 PolarHBondContact O-N 3.3Å; I140-T144 PolarHBondContact O-OG1 3.47Å; F141-T144 PolarHBondContact O-N 3.4Å; F141-T144 PolarHBondContact O-OG1 2.87Å; P142-T144 PolarHBondContact O-N 3.04Å; T144-L148 VanDerWaalsContact O-CB 3.26Å; T144-L148 WeakPolarHBondContact O-CB 3.28Å; T144-L148 WeakPolarHBondContact O-CD1 3.43Å; T144-L148 WeakPolarHBondContact O-CG 3.37Å; T144-L148 PolarHBondContact O-N 2.87Å
145L96.3Very high95.9Very high44 Ų4455.4 Ų55.423%0.2329%0.287CS..Hα-helixtrans-56.6-57-180178.262.8000111.9L99 F141 P142 L149 L181L99-L145 HydrophobicContact CD2-CD2 4.32Å; F141-L145 HydrophobicContact CE1-CD2 4.13Å; F141-L145 HydrophobicContact CZ-CD2 4.17Å; F141-L145 VanDerWaalsContact O-CB 3.3Å; F141-L145 WeakPolarHBondContact O-CB 3.48Å; F141-L145 PolarHBondContact O-N 3.39Å; P142-L145 PolarHBondContact O-N 2.88Å; L145-L149 HydrophobicContact CD1-CD1 3.83Å; L145-L149 HydrophobicContact CD1-CG 4.41Å; L145-L149 HydrophobicContact CG-CD1 4.18Å; L145-L149 WeakPolarHBondContact O-CB 3.36Å; L145-L149 VanDerWaalsContact O-CG 3.24Å; L145-L149 WeakPolarHBondContact O-CG 3.36Å; L145-L149 PolarHBondContact O-N 3.29Å; L145-L181 HydrophobicContact CD2-CD1 4.39Å
146F96.8Very high95.5Very high2 Ų260.1 Ų60.11%0.00931%0.311CS..Hα-helixtrans-78.8-32-173.8-73.8-63.9000113.6F95 L99 P142 L149 I150 F171 L181 Y185F95-F146 HydrophobicContact CB-CB 4.05Å; F95-F146 HydrophobicContact CB-CD1 3.8Å; F95-F146 HydrophobicContact CB-CD2 3.71Å; F95-F146 HydrophobicContact CB-CE1 4.13Å; F95-F146 HydrophobicContact CB-CE2 4.01Å; F95-F146 HydrophobicContact CB-CG 3.59Å; F95-F146 HydrophobicContact CB-CZ 4.23Å; F95-F146 AromaticContact CD1-CD1 3.95Å; F95-F146 HydrophobicContact CD1-CD1 3.95Å; F95-F146 AromaticContact CD1-CE1 3.59Å; F95-F146 HydrophobicContact CD1-CE1 3.59Å; F95-F146 HydrophobicContact CD1-CE2 4.49Å; F95-F146 AromaticContact CD1-CZ 3.89Å; F95-F146 HydrophobicContact CD1-CZ 3.89Å; F95-F146 HydrophobicContact CE1-CE1 4.47Å; F95-F146 HydrophobicContact CG-CD1 4.2Å; F95-F146 HydrophobicContact CG-CE1 4.27Å; F95-F146 HydrophobicContact CG-CG 4.47Å; L99-F146 HydrophobicContact CB-CE2 3.89Å; L99-F146 HydrophobicContact CD2-CD2 4.24Å; L99-F146 HydrophobicContact CD2-CE2 3.51Å; L99-F146 HydrophobicContact CD2-CZ 4.34Å; L99-F146 HydrophobicContact CG-CE2 4.29Å; P142-F146 PolarHBondContact O-N 3.39Å; F146-L149 PolarHBondContact O-N 3.47Å; F146-I150 HydrophobicContact CB-CD1 4.32Å; F146-I150 VanDerWaalsContact O-CB 3.29Å; F146-I150 WeakPolarHBondContact O-CB 3.48Å; F146-I150 WeakPolarHBondContact O-CG1 3.43Å; F146-I150 PolarHBondContact O-N 3.29Å; F146-F171 HydrophobicContact CD1-CZ 4.22Å; F146-F171 HydrophobicContact CE1-CZ 4.15Å; F146-L181 HydrophobicContact CE1-CD2 4.16Å; F146-Y185 HydrophobicContact CZ-CD1 4.48Å; F146-Y185 HydrophobicContact CZ-CE1 4.35Å
147T96.3Very high95Very high54 Ų5459.3 Ų59.333%0.33130%0.304SS..Hα-helixtrans-62-47173.1-57.30000110.5S92 A143 I150 F151S92-T147 WeakPolarHBondContact OG-CA 3.22Å; S92-T147 PolarHBondContact OG-OG1 3.38Å; A143-T147 WeakPolarHBondContact O-CB 3.47Å; A143-T147 PolarHBondContact O-N 3.43Å; A143-T147 PolarHBondContact O-OG1 2.93Å; T147-I150 PolarHBondContact O-N 2.88Å; T147-F151 HydrophobicContact CG2-CD2 3.87Å; T147-F151 HydrophobicContact CG2-CE2 4.26Å; T147-F151 WeakPolarHBondContact O-CB 3.15Å; T147-F151 WeakPolarHBondContact O-CD2 3.33Å; T147-F151 PolarHBondContact O-N 2.89Å
148L95.9Very high94.5Very high124 Ų12457.6 Ų57.665%0.64931%0.312SS*.Hα-helixtrans-64.6-41.5178.9-69.7175000111.8T144 G152T144-L148 VanDerWaalsContact O-CB 3.26Å; T144-L148 WeakPolarHBondContact O-CB 3.28Å; T144-L148 WeakPolarHBondContact O-CD1 3.43Å; T144-L148 WeakPolarHBondContact O-CG 3.37Å; T144-L148 PolarHBondContact O-N 2.87Å; L148-G152 WeakPolarHBondContact O-CA 3.42Å; L148-G152 PolarHBondContact O-N 3.21Å
149L94.9Very high93.7Very high24 Ų2460.8 Ų60.813%0.12633%0.326CS..Hα-helixtrans-67.7-43178.8-71.8177000112.5L145 F146 W153 F171 F177 L181L145-L149 HydrophobicContact CD1-CD1 3.83Å; L145-L149 HydrophobicContact CD1-CG 4.41Å; L145-L149 HydrophobicContact CG-CD1 4.18Å; L145-L149 WeakPolarHBondContact O-CB 3.36Å; L145-L149 VanDerWaalsContact O-CG 3.24Å; L145-L149 WeakPolarHBondContact O-CG 3.36Å; L145-L149 PolarHBondContact O-N 3.29Å; F146-L149 PolarHBondContact O-N 3.47Å; L149-W153 VanDerWaalsContact O-CB 3.25Å; L149-W153 WeakPolarHBondContact O-CB 3.2Å; L149-W153 PolarHBondContact O-N 3.32Å; L149-W153 VanDerWaalsContact O-N 3.09Å; L149-F171 HydrophobicContact CB-CD1 4.19Å; L149-F171 HydrophobicContact CB-CE1 3.85Å; L149-F171 HydrophobicContact CD1-CE1 4.48Å; L149-F177 HydrophobicContact CD1-CE1 4.43Å; L149-F177 HydrophobicContact CD1-CZ 4.14Å; L149-F177 HydrophobicContact CD2-CE1 4.37Å; L149-F177 HydrophobicContact CD2-CZ 3.66Å; L149-L181 HydrophobicContact CD1-CD1 4.29Å; L149-L181 HydrophobicContact CD1-CD2 4.04Å
150I94.7Very high92.9Very high12 Ų1266.7 Ų66.76%0.06235%0.353CS..Hα-helixtrans-74.3-48.6-174.7-71.3164.9000111.3D88 L91 F146 T147 V169 F171D88-I150 HydrophobicContact CB-CG2 3.92Å; L91-I150 VanDerWaalsContact C-CD1 3.45Å; L91-I150 HydrophobicContact CB-CD1 3.9Å; L91-I150 HydrophobicContact CB-CG2 4.41Å; L91-I150 WeakPolarHBondContact O-CD1 3.19Å; F146-I150 HydrophobicContact CB-CD1 4.32Å; F146-I150 VanDerWaalsContact O-CB 3.29Å; F146-I150 WeakPolarHBondContact O-CB 3.48Å; F146-I150 WeakPolarHBondContact O-CG1 3.43Å; F146-I150 PolarHBondContact O-N 3.29Å; T147-I150 PolarHBondContact O-N 2.88Å; I150-V169 HydrophobicContact CG1-CG1 4.41Å; I150-F171 HydrophobicContact CG1-CE1 4.08Å
151F94.3Very high91.9Very high67 Ų6768.1 Ų68.129%0.29436%0.358SS..Hα-helixtrans-74.3-33.9178.5-77.5-94.1000112.3L85 D88 L89 T147 Y155L85-F151 HydrophobicContact CD1-CE1 4.2Å; D88-F151 HydrophobicContact CB-CD1 4.43Å; D88-F151 HydrophobicContact CB-CE1 3.98Å; D88-F151 HydrophobicContact CB-CE2 4.06Å; D88-F151 HydrophobicContact CB-CZ 3.78Å; L89-F151 HydrophobicContact CD2-CE2 4.45Å; L89-F151 HydrophobicContact CD2-CZ 3.89Å; L89-F151 HydrophobicContact CG-CZ 4.07Å; T147-F151 HydrophobicContact CG2-CD2 3.87Å; T147-F151 HydrophobicContact CG2-CE2 4.26Å; T147-F151 WeakPolarHBondContact O-CB 3.15Å; T147-F151 WeakPolarHBondContact O-CD2 3.33Å; T147-F151 PolarHBondContact O-N 2.89Å; F151-Y155 VanDerWaalsContact O-CD2 3.25Å; F151-Y155 WeakPolarHBondContact O-CD2 3.25Å; F151-Y155 WeakPolarHBondContact O-CE2 3.3Å
152G92.7Very high91.3Very high16 Ų1665.3 Ų65.317%0.16534%0.344CS..Hα-helixtrans-82.4-17-17600000114.5L148 S154 Y155 I156L148-G152 WeakPolarHBondContact O-CA 3.42Å; L148-G152 PolarHBondContact O-N 3.21Å; G152-S154 PolarHBondContact O-N 3.16Å; G152-Y155 WeakPolarHBondContact O-CB 3.31Å; G152-Y155 PolarHBondContact O-N 2.89Å; G152-Y155 VanDerWaalsContact O-N 3.1Å; G152-I156 VanDerWaalsContact O-CG1 3.28Å; G152-I156 WeakPolarHBondContact O-CG1 3.48Å; G152-I156 PolarHBondContact O-N 3.08Å
153W92.3Very high90.6Very high19 Ų1969.1 Ų69.17%0.07236%0.362CS..Hα-helixtrans-54.8-52.3-169.1-168.1-103000113.3L149 Y155 I156 T157 E159 S170 F171 Y174 F177L149-W153 VanDerWaalsContact O-CB 3.25Å; L149-W153 WeakPolarHBondContact O-CB 3.2Å; L149-W153 PolarHBondContact O-N 3.32Å; L149-W153 VanDerWaalsContact O-N 3.09Å; W153-Y155 VanDerWaalsContact C-N 3.26Å; W153-Y155 PolarHBondContact O-N 3.14Å; W153-I156 PolarHBondContact O-N 2.91Å; W153-I156 VanDerWaalsContact O-N 3.07Å; W153-T157 HydrophobicContact CD2-CG2 4.14Å; W153-T157 HydrophobicContact CH2-CG2 4.35Å; W153-T157 HydrophobicContact CZ2-CG2 3.71Å; W153-T157 PolarHBondContact O-N 3.06Å; W153-T157 PolarHBondContact O-OG1 3.35Å; W153-T157 VanDerWaalsContact O-OG1 3.08Å; W153-E159 PolarHBondContact NE1-OE2 2.88Å; W153-S170 VanDerWaalsContact CD1-CB 3.46Å; W153-F171 HydrophobicContact CD2-CB 3.63Å; W153-F171 HydrophobicContact CE3-CB 3.53Å; W153-F171 HydrophobicContact CE3-CD1 4.29Å; W153-F171 HydrophobicContact CE3-CG 4.38Å; W153-F171 HydrophobicContact CG-CB 4.49Å; W153-F171 HydrophobicContact CH2-CB 3.46Å; W153-F171 VanDerWaalsContact CH2-CB 3.46Å; W153-F171 HydrophobicContact CZ2-CB 3.59Å; W153-F171 HydrophobicContact CZ3-CB 3.43Å; W153-F171 VanDerWaalsContact CZ3-CB 3.43Å; W153-F171 HydrophobicContact CZ3-CG 4.42Å; W153-Y174 HydrophobicContact CH2-CD2 4.41Å; W153-Y174 HydrophobicContact CH2-CG 4.43Å; W153-Y174 HydrophobicContact CZ2-CD1 4.36Å; W153-Y174 AromaticContact CZ2-CD2 3.44Å; W153-Y174 HydrophobicContact CZ2-CD2 3.44Å; W153-Y174 VanDerWaalsContact CZ2-CD2 3.44Å; W153-Y174 AromaticContact CZ2-CE2 3.66Å; W153-Y174 HydrophobicContact CZ2-CE2 3.66Å; W153-Y174 AromaticContact CZ2-CG 3.82Å; W153-Y174 HydrophobicContact CZ2-CG 3.82Å; W153-Y174 AromaticContact NE1-CE2 3.79Å; W153-F177 AromaticContact CH2-CD1 3.83Å; W153-F177 HydrophobicContact CH2-CD1 3.83Å; W153-F177 HydrophobicContact CH2-CD2 4.4Å; W153-F177 HydrophobicContact CH2-CE1 4.13Å; W153-F177 AromaticContact CH2-CG 3.98Å; W153-F177 HydrophobicContact CH2-CG 3.98Å; W153-F177 AromaticContact CZ3-CD1 3.9Å; W153-F177 HydrophobicContact CZ3-CD1 3.9Å; W153-F177 HydrophobicContact CZ3-CD2 4.43Å; W153-F177 AromaticContact CZ3-CE1 3.7Å; W153-F177 HydrophobicContact CZ3-CE1 3.7Å; W153-F177 HydrophobicContact CZ3-CE2 4.25Å; W153-F177 HydrophobicContact CZ3-CG 4.27Å; W153-F177 AromaticContact CZ3-CZ 3.9Å; W153-F177 HydrophobicContact CZ3-CZ 3.9Å
154S88.3Confident90.1Very high34 Ų3472.9 Ų72.924%0.23838%0.377CS..Hα-helixtrans-62.8-33.3-178.752.50000112.7G152 G158G152-S154 PolarHBondContact O-N 3.16Å; S154-G158 WeakPolarHBondContact O-CA 3.39Å; S154-G158 PolarHBondContact O-N 3.47Å
155Y91.1Very high89.5Confident189 Ų18973.3 Ų73.374%0.74138%0.379SS*.Hα-helixtrans-72.4-31.6175.4-59.8-81.5000112.5F151 G152 W153F151-Y155 VanDerWaalsContact O-CD2 3.25Å; F151-Y155 WeakPolarHBondContact O-CD2 3.25Å; F151-Y155 WeakPolarHBondContact O-CE2 3.3Å; G152-Y155 WeakPolarHBondContact O-CB 3.31Å; G152-Y155 PolarHBondContact O-N 2.89Å; G152-Y155 VanDerWaalsContact O-N 3.1Å; W153-Y155 VanDerWaalsContact C-N 3.26Å; W153-Y155 PolarHBondContact O-N 3.14Å
156I89.8Confident89.1Confident122 Ų12274.9 Ų74.963%0.62638%0.384SS*.Hα-helixtrans-78.9-43.1-179.2-66.4163.6000111.1G152 W153G152-I156 VanDerWaalsContact O-CG1 3.28Å; G152-I156 WeakPolarHBondContact O-CG1 3.48Å; G152-I156 PolarHBondContact O-N 3.08Å; W153-I156 PolarHBondContact O-N 2.91Å; W153-I156 VanDerWaalsContact O-N 3.07Å
157T88.6Confident88.9Confident52 Ų5275.1 Ų75.132%0.31939%0.386SS..Hα-helixtrans-91.7-18.5-175.759.90000113.7W153 E159W153-T157 HydrophobicContact CD2-CG2 4.14Å; W153-T157 HydrophobicContact CH2-CG2 4.35Å; W153-T157 HydrophobicContact CZ2-CG2 3.71Å; W153-T157 PolarHBondContact O-N 3.06Å; W153-T157 PolarHBondContact O-OG1 3.35Å; W153-T157 VanDerWaalsContact O-OG1 3.08Å; T157-E159 PolarHBondContact O-N 3.35Å; T157-E159 WeakPolarHBondContact OG1-CB 3.24Å; T157-E159 WeakPolarHBondContact OG1-CG 3.22Å; T157-E159 PolarHBondContact OG1-N 3.48Å; T157-E159 PolarHBondContact OG1-OE2 3.31Å
158G87.4Confident88.6Confident66 Ų6674.1 Ų74.168%0.6838%0.379SS*.  trans72.411.6-171.700000113.6S154S154-G158 WeakPolarHBondContact O-CA 3.39Å; S154-G158 PolarHBondContact O-N 3.47Å
159E80.6Confident88.3Confident72 Ų7268.6 Ų68.634%0.33635%0.35SS..PPolyproline II helixtrans-67.7150178-75.7-177.4138.800112.2W153 T157 Y174W153-E159 PolarHBondContact NE1-OE2 2.88Å; T157-E159 PolarHBondContact O-N 3.35Å; T157-E159 WeakPolarHBondContact OG1-CB 3.24Å; T157-E159 WeakPolarHBondContact OG1-CG 3.22Å; T157-E159 PolarHBondContact OG1-N 3.48Å; T157-E159 PolarHBondContact OG1-OE2 3.31Å; E159-Y174 WeakPolarHBondContact OE1-CE2 3.27Å; E159-Y174 PolarHBondContact OE1-OH 3.29Å; E159-Y174 PolarHBondContact OE2-OH 2.91Å
160K80.4Confident87.9Confident197 Ų19768.9 Ų68.986%0.85735%0.354SS*.PPolyproline II helixtrans-58145169.8-68.8-174.5179.2-179.70109.7
161Q78.4Confident87.5Confident136 Ų13668.4 Ų68.464%0.63635%0.351SS*.PPolyproline II helixtrans-55.7145.4171.4-69.7-174.7-13.400110.3
162R85.2Confident87.1Confident35 Ų3566.2 Ų66.213%0.13234%0.343CS..PPolyproline II helixtrans-49.9150.8177.5-173.7-169.8-65.3119.36.5111H84 C87 D88 K166 D168H84-R162 PolarHBondContact CE1-O 3.09Å; C87-R162 PolarHBondContact SG-NH1 2.97Å; D88-R162 IonicContact OD1-CZ 2.82Å; D88-R162 IonicContact OD1-NH1 2.82Å; D88-R162 PolarHBondContact OD1-NH1 3.2Å; D88-R162 IonicContact OD1-NH2 3.41Å; R162-K166 WeakPolarHBondContact CD-O 3.4Å; R162-K166 HydrophobicContact CG-CB 4.34Å; R162-D168 WeakPolarHBondContact CD-OD1 3.37Å; R162-D168 WeakPolarHBondContact CG-OD1 3.23Å; R162-D168 PolarHBondContact NE-O 3.48Å; R162-D168 IonicContact NE-OD1 3Å; R162-D168 PolarHBondContact NE-OD1 3.49Å; R162-D168 PolarHBondContact NH2-O 2.95Å
163E83.6Confident86.6Confident81 Ų8169.2 Ų69.238%0.37935%0.35SS..PPolyproline II helixtrans-60.1139.4170.8-60-173.9145.800111.3T165 K166 K442E163-T165 PolarHBondContact O-N 3.45Å; E163-T165 VanDerWaalsContact O-N 3.13Å; E163-K166 PolarHBondContact O-N 3.34Å; E163-K166 VanDerWaalsContact O-N 3.1Å; E163-K166 WeakPolarHBondContact OE2-CE 3.09Å; E163-K166 IonicContact OE2-NZ 2.72Å; E163-K166 PolarHBondContact OE2-NZ 3.19Å; E163-K442 VanDerWaalsContact CD-NZ 3.34Å; E163-K442 IonicContact OE1-NZ 2.65Å; E163-K442 PolarHBondContact OE1-NZ 3Å; E163-K442 IonicContact OE2-NZ 3.29Å; E163-K442 PolarHBondContact OE2-NZ 3.06Å
164L86Confident86.3Confident117 Ų11771.9 Ų71.961%0.61336%0.361SS*.THydrogen-bonded Turntrans-58.4-29.3-176.7-87.180.9000113.8H84 K166H84-L164 WeakPolarHBondContact NE2-CD1 3.47Å; H84-L164 WeakPolarHBondContact NE2-CG 3.45Å; L164-K166 VanDerWaalsContact C-N 3.33Å
165T86.6Confident86.3Confident76 Ų7672.4 Ų72.447%0.46636%0.364SS..THydrogen-bonded Turntrans-83.4-8.5-176.753.90000113.4Y79 W80 E163Y79-T165 CarbonylContact C-O 3.58Å; Y79-T165 WeakPolarHBondContact CA-O 3.27Å; W80-T165 PolarHBondContact N-O 2.8Å; E163-T165 PolarHBondContact O-N 3.45Å; E163-T165 VanDerWaalsContact O-N 3.13Å
166K87.7Confident86.2Confident78 Ų7870 Ų7034%0.33936%0.362SS..  trans-112.7148.3-179.4-66.1-177-179.1173.60110.8R162 E163 L164R162-K166 WeakPolarHBondContact CD-O 3.4Å; R162-K166 HydrophobicContact CG-CB 4.34Å; E163-K166 PolarHBondContact O-N 3.34Å; E163-K166 VanDerWaalsContact O-N 3.1Å; E163-K166 WeakPolarHBondContact OE2-CE 3.09Å; E163-K166 IonicContact OE2-NZ 2.72Å; E163-K166 PolarHBondContact OE2-NZ 3.19Å; L164-K166 VanDerWaalsContact C-N 3.33Å
167C92.7Very high86.3Confident6 Ų667.7 Ų67.74%0.04135%0.347CS..  trans-138.985.4174.1-173.70000110.6Y74 W80 C87 W90Y74-C167 HydrophobicContact CE2-CB 4.48Å; W80-C167 HydrophobicContact CB-CB 3.82Å; W80-C167 HydrophobicContact CD2-CB 3.62Å; W80-C167 HydrophobicContact CE3-CB 3.86Å; W80-C167 HydrophobicContact CG-CB 3.61Å; C87-C167 WeakPolarHBondContact CA-SG 3.49Å; C87-C167 HydrophobicContact CB-CB 3.99Å; C87-C167 WeakPolarHBondContact CB-SG 3.26Å; C87-C167 WeakPolarHBondContact SG-CA 3.29Å; C87-C167 WeakPolarHBondContact SG-CB 3.42Å; C87-C167 CovalentContact SG-SG 2.02Å; C87-C167 PolarHBondContact SG-SG 2.97Å; W90-C167 HydrophobicContact CE3-CB 4.48Å; W90-C167 HydrophobicContact CZ3-CB 4.02Å; W90-C167 WeakPolarHBondContact CZ3-SG 3.44Å
168D88.3Confident86.5Confident34 Ų3465.4 Ų65.418%0.18233%0.334CS..  trans-142.7145.3-170.659.2-19.5000111.5R162 S170 Y173R162-D168 WeakPolarHBondContact CD-OD1 3.37Å; R162-D168 WeakPolarHBondContact CG-OD1 3.23Å; R162-D168 PolarHBondContact NE-O 3.48Å; R162-D168 IonicContact NE-OD1 3Å; R162-D168 PolarHBondContact NE-OD1 3.49Å; R162-D168 PolarHBondContact NH2-O 2.95Å; D168-S170 PolarHBondContact O-N 2.85Å; D168-Y173 WeakPolarHBondContact OD2-CE2 3.35Å; D168-Y173 PolarHBondContact OD2-OH 3.46Å
169V89.8Confident86.7Confident8 Ų863.4 Ų63.45%0.04831%0.308CS..  trans-77.8115.1-172.6-179.90000111.7L91 F95 I150 F171 T172L91-V169 HydrophobicContact CB-CG2 4.17Å; L91-V169 HydrophobicContact CD1-CG2 3.86Å; L91-V169 HydrophobicContact CD2-CG2 4Å; L91-V169 HydrophobicContact CG-CG2 4.23Å; F95-V169 HydrophobicContact CD2-CG2 4.25Å; F95-V169 HydrophobicContact CE2-CG2 3.48Å; F95-V169 VanDerWaalsContact CE2-CG2 3.48Å; F95-V169 HydrophobicContact CZ-CB 4.38Å; F95-V169 HydrophobicContact CZ-CG2 3.64Å; I150-V169 HydrophobicContact CG1-CG1 4.41Å; V169-F171 VanDerWaalsContact C-N 3.35Å; V169-F171 HydrophobicContact CG1-CD1 3.35Å; V169-F171 HydrophobicContact CG1-CD2 3.85Å; V169-F171 HydrophobicContact CG1-CE1 3.09Å; V169-F171 HydrophobicContact CG1-CE2 3.59Å; V169-F171 HydrophobicContact CG1-CG 3.73Å; V169-F171 HydrophobicContact CG1-CZ 3.23Å; V169-F171 PolarHBondContact O-N 3.38Å; V169-T172 HydrophobicContact CB-CG2 3.87Å; V169-T172 HydrophobicContact CG1-CG2 4.09Å; V169-T172 WeakPolarHBondContact O-CB 3.35Å; V169-T172 WeakPolarHBondContact O-CG2 3.12Å; V169-T172 PolarHBondContact O-N 3.49Å; V169-T172 PolarHBondContact O-OG1 3.27Å
170S86.7Confident87.4Confident29 Ų2964.5 Ų64.520%0.20332%0.32CS..G310 helixtrans-60.8-37.1-171-53.20000114.2W153 D168 T172 Y173W153-S170 VanDerWaalsContact CD1-CB 3.46Å; D168-S170 PolarHBondContact O-N 2.85Å; S170-T172 PolarHBondContact O-N 2.85Å; S170-T172 VanDerWaalsContact O-N 3.08Å; S170-Y173 WeakPolarHBondContact O-CB 3.49Å; S170-Y173 VanDerWaalsContact O-CD2 3.28Å; S170-Y173 WeakPolarHBondContact O-CD2 3.17Å; S170-Y173 PolarHBondContact O-N 3.02Å; S170-Y173 VanDerWaalsContact O-N 3.14Å
171F86.9Confident88Confident2 Ų256.3 Ų56.31%0.00929%0.285CS..G310 helixtrans-65.6-14.517964.5-114.5000113.9F146 L149 I150 W153 V169 Y173 Y174 F177 L181F146-F171 HydrophobicContact CD1-CZ 4.22Å; F146-F171 HydrophobicContact CE1-CZ 4.15Å; L149-F171 HydrophobicContact CB-CD1 4.19Å; L149-F171 HydrophobicContact CB-CE1 3.85Å; L149-F171 HydrophobicContact CD1-CE1 4.48Å; I150-F171 HydrophobicContact CG1-CE1 4.08Å; W153-F171 HydrophobicContact CD2-CB 3.63Å; W153-F171 HydrophobicContact CE3-CB 3.53Å; W153-F171 HydrophobicContact CE3-CD1 4.29Å; W153-F171 HydrophobicContact CE3-CG 4.38Å; W153-F171 HydrophobicContact CG-CB 4.49Å; W153-F171 HydrophobicContact CH2-CB 3.46Å; W153-F171 VanDerWaalsContact CH2-CB 3.46Å; W153-F171 HydrophobicContact CZ2-CB 3.59Å; W153-F171 HydrophobicContact CZ3-CB 3.43Å; W153-F171 VanDerWaalsContact CZ3-CB 3.43Å; W153-F171 HydrophobicContact CZ3-CG 4.42Å; V169-F171 VanDerWaalsContact C-N 3.35Å; V169-F171 HydrophobicContact CG1-CD1 3.35Å; V169-F171 HydrophobicContact CG1-CD2 3.85Å; V169-F171 HydrophobicContact CG1-CE1 3.09Å; V169-F171 HydrophobicContact CG1-CE2 3.59Å; V169-F171 HydrophobicContact CG1-CG 3.73Å; V169-F171 HydrophobicContact CG1-CZ 3.23Å; V169-F171 PolarHBondContact O-N 3.38Å; F171-Y173 PolarHBondContact O-N 3.47Å; F171-Y174 PolarHBondContact O-N 3.02Å; F171-Y174 VanDerWaalsContact O-N 3.14Å; F171-F177 HydrophobicContact CB-CD1 3.81Å; F171-F177 HydrophobicContact CB-CE1 3.84Å; F171-F177 HydrophobicContact CD1-CE1 4.49Å; F171-F177 HydrophobicContact CD2-CD1 4.19Å; F171-F177 HydrophobicContact CD2-CE1 4.01Å; F171-F177 HydrophobicContact CG-CD1 4.21Å; F171-F177 AromaticContact CG-CE1 3.89Å; F171-F177 HydrophobicContact CG-CE1 3.89Å; F171-L181 HydrophobicContact CD2-CD2 4.3Å; F171-L181 HydrophobicContact CE2-CD2 3.7Å; F171-L181 HydrophobicContact CZ-CD2 4.04Å
172T85.8Confident88.8Confident21 Ų2149.9 Ų49.913%0.12926%0.255CS..G310 helixtrans-69-21.1176.7650000112.5V169 S170 Y174V169-T172 HydrophobicContact CB-CG2 3.87Å; V169-T172 HydrophobicContact CG1-CG2 4.09Å; V169-T172 WeakPolarHBondContact O-CB 3.35Å; V169-T172 WeakPolarHBondContact O-CG2 3.12Å; V169-T172 PolarHBondContact O-N 3.49Å; V169-T172 PolarHBondContact O-OG1 3.27Å; S170-T172 PolarHBondContact O-N 2.85Å; S170-T172 VanDerWaalsContact O-N 3.08Å; T172-Y174 PolarHBondContact O-N 2.92Å
173Y82.1Confident89.2Confident79 Ų7950.9 Ų50.931%0.3127%0.265SS..G310 helixtrans-73.1-11172.8-64.2-66.7000113.3D168 S170 F171 P175 I761D168-Y173 WeakPolarHBondContact OD2-CE2 3.35Å; D168-Y173 PolarHBondContact OD2-OH 3.46Å; S170-Y173 WeakPolarHBondContact O-CB 3.49Å; S170-Y173 VanDerWaalsContact O-CD2 3.28Å; S170-Y173 WeakPolarHBondContact O-CD2 3.17Å; S170-Y173 PolarHBondContact O-N 3.02Å; S170-Y173 VanDerWaalsContact O-N 3.14Å; F171-Y173 PolarHBondContact O-N 3.47Å; Y173-P175 WeakPolarHBondContact O-CD 3.49Å; Y173-I761 VanDerWaalsContact O-CD1 3.28Å; Y173-I761 WeakPolarHBondContact O-CD1 3.36Å
174Y86.7Confident89.8Confident76 Ų7648.7 Ų48.730%0.29827%0.265SS..  trans-99.699.1-178.7-73.5-100.4000110.7W153 E159 F171 T172 I176 F177 N178W153-Y174 HydrophobicContact CH2-CD2 4.41Å; W153-Y174 HydrophobicContact CH2-CG 4.43Å; W153-Y174 HydrophobicContact CZ2-CD1 4.36Å; W153-Y174 AromaticContact CZ2-CD2 3.44Å; W153-Y174 HydrophobicContact CZ2-CD2 3.44Å; W153-Y174 VanDerWaalsContact CZ2-CD2 3.44Å; W153-Y174 AromaticContact CZ2-CE2 3.66Å; W153-Y174 HydrophobicContact CZ2-CE2 3.66Å; W153-Y174 AromaticContact CZ2-CG 3.82Å; W153-Y174 HydrophobicContact CZ2-CG 3.82Å; W153-Y174 AromaticContact NE1-CE2 3.79Å; E159-Y174 WeakPolarHBondContact OE1-CE2 3.27Å; E159-Y174 PolarHBondContact OE1-OH 3.29Å; E159-Y174 PolarHBondContact OE2-OH 2.91Å; F171-Y174 PolarHBondContact O-N 3.02Å; F171-Y174 VanDerWaalsContact O-N 3.14Å; T172-Y174 PolarHBondContact O-N 2.92Å; Y174-I176 PolarHBondContact O-N 3.07Å; Y174-F177 PolarHBondContact O-N 2.71Å; Y174-N178 VanDerWaalsContact O-CB 3.28Å; Y174-N178 WeakPolarHBondContact O-CB 3.48Å; Y174-N178 PolarHBondContact O-N 2.94Å
175P87.3Confident90.2Very high45 Ų4544.1 Ų44.129%0.29224%0.239SC..Hα-helixtrans-50.9-51.3-169.73.8-19.7000113.9Y173 T179 G756Y173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-T179 WeakPolarHBondContact O-CB 3.5Å; P175-T179 PolarHBondContact O-N 3.48Å; P175-T179 PolarHBondContact O-OG1 3.18Å; P175-G756 VanDerWaalsContact CB-O 3.22Å; P175-G756 WeakPolarHBondContact CB-O 3.39Å
176I90.5Very high90.7Very high139 Ų13940.5 Ų40.571%0.71322%0.217SC*.Hα-helixtrans-67.8-45.7-173-60.5172.8000110Y174 T180Y174-I176 PolarHBondContact O-N 3.07Å; I176-T180 VanDerWaalsContact O-CB 3.3Å; I176-T180 WeakPolarHBondContact O-CB 3.35Å; I176-T180 PolarHBondContact O-N 3.35Å; I176-T180 PolarHBondContact O-OG1 3.06Å
177F92Very high91.1Very high72 Ų7239.7 Ų39.732%0.31621%0.212SC..Hα-helixtrans-65.5-51.8-179.9-176.4-92.5000111.1L149 W153 F171 Y174 T179 T180 L181L149-F177 HydrophobicContact CD1-CE1 4.43Å; L149-F177 HydrophobicContact CD1-CZ 4.14Å; L149-F177 HydrophobicContact CD2-CE1 4.37Å; L149-F177 HydrophobicContact CD2-CZ 3.66Å; W153-F177 AromaticContact CH2-CD1 3.83Å; W153-F177 HydrophobicContact CH2-CD1 3.83Å; W153-F177 HydrophobicContact CH2-CD2 4.4Å; W153-F177 HydrophobicContact CH2-CE1 4.13Å; W153-F177 AromaticContact CH2-CG 3.98Å; W153-F177 HydrophobicContact CH2-CG 3.98Å; W153-F177 AromaticContact CZ3-CD1 3.9Å; W153-F177 HydrophobicContact CZ3-CD1 3.9Å; W153-F177 HydrophobicContact CZ3-CD2 4.43Å; W153-F177 AromaticContact CZ3-CE1 3.7Å; W153-F177 HydrophobicContact CZ3-CE1 3.7Å; W153-F177 HydrophobicContact CZ3-CE2 4.25Å; W153-F177 HydrophobicContact CZ3-CG 4.27Å; W153-F177 AromaticContact CZ3-CZ 3.9Å; W153-F177 HydrophobicContact CZ3-CZ 3.9Å; F171-F177 HydrophobicContact CB-CD1 3.81Å; F171-F177 HydrophobicContact CB-CE1 3.84Å; F171-F177 HydrophobicContact CD1-CE1 4.49Å; F171-F177 HydrophobicContact CD2-CD1 4.19Å; F171-F177 HydrophobicContact CD2-CE1 4.01Å; F171-F177 HydrophobicContact CG-CD1 4.21Å; F171-F177 AromaticContact CG-CE1 3.89Å; F171-F177 HydrophobicContact CG-CE1 3.89Å; Y174-F177 PolarHBondContact O-N 2.71Å; F177-T179 VanDerWaalsContact C-N 3.34Å; F177-T179 PolarHBondContact O-N 2.81Å; F177-T180 PolarHBondContact O-N 3.48Å; F177-L181 HydrophobicContact CE1-CD2 4.13Å; F177-L181 WeakPolarHBondContact O-CB 3.4Å; F177-L181 PolarHBondContact O-N 2.85Å
178N91Very high91.3Very high5 Ų543.6 Ų43.63%0.02723%0.231CC..Hα-helixtrans-60.6-42.2179.3-176.639.3000112.2Y174 T182 V752Y174-N178 VanDerWaalsContact O-CB 3.28Å; Y174-N178 WeakPolarHBondContact O-CB 3.48Å; Y174-N178 PolarHBondContact O-N 2.94Å; N178-T182 VanDerWaalsContact O-CB 3.24Å; N178-T182 WeakPolarHBondContact O-CB 3.45Å; N178-T182 PolarHBondContact O-N 2.93Å; N178-T182 PolarHBondContact O-OG1 2.9Å; N178-V752 VanDerWaalsContact ND2-CG1 3.35Å; N178-V752 WeakPolarHBondContact ND2-CG1 3.4Å; N178-V752 PolarHBondContact ND2-O 2.7Å
179T92.5Very high91.7Very high24 Ų2442.6 Ų42.615%0.14723%0.226CC..Hα-helixtrans-63.7-48.4176.4-63.30000111.1P175 F177 L181 T182 V183 L753 F757P175-T179 WeakPolarHBondContact O-CB 3.5Å; P175-T179 PolarHBondContact O-N 3.48Å; P175-T179 PolarHBondContact O-OG1 3.18Å; F177-T179 VanDerWaalsContact C-N 3.34Å; F177-T179 PolarHBondContact O-N 2.81Å; T179-L181 VanDerWaalsContact C-N 3.32Å; T179-L181 PolarHBondContact O-N 3.32Å; T179-T182 PolarHBondContact O-N 3.44Å; T179-V183 HydrophobicContact CG2-CG2 4.14Å; T179-V183 WeakPolarHBondContact O-CB 3.41Å; T179-V183 VanDerWaalsContact O-CG2 3.26Å; T179-V183 WeakPolarHBondContact O-CG2 3.27Å; T179-V183 PolarHBondContact O-N 3.29Å; T179-L753 HydrophobicContact CG2-CD2 3.88Å; T179-F757 HydrophobicContact CG2-CE2 4Å; T179-F757 HydrophobicContact CG2-CZ 3.92Å; T179-F757 VanDerWaalsContact OG1-CE2 3.28Å; T179-F757 WeakPolarHBondContact OG1-CE2 3.18Å; T179-F757 WeakPolarHBondContact OG1-CZ 3.26Å
180T94.5Very high92Very high94 Ų9443 Ų4358%0.57723%0.228SC*.Hα-helixtrans-60.5-44.9179.8-58.50000111I176 F177 G184I176-T180 VanDerWaalsContact O-CB 3.3Å; I176-T180 WeakPolarHBondContact O-CB 3.35Å; I176-T180 PolarHBondContact O-N 3.35Å; I176-T180 PolarHBondContact O-OG1 3.06Å; F177-T180 PolarHBondContact O-N 3.48Å; T180-G184 PolarHBondContact O-N 2.9Å
181L94.5Very high92.6Very high26 Ų2646.7 Ų46.714%0.13625%0.245CC..Hα-helixtrans-61-52.5177.2-171.465.4000110.7L145 F146 L149 F171 F177 T179 V183 G184 Y185L145-L181 HydrophobicContact CD2-CD1 4.39Å; F146-L181 HydrophobicContact CE1-CD2 4.16Å; L149-L181 HydrophobicContact CD1-CD1 4.29Å; L149-L181 HydrophobicContact CD1-CD2 4.04Å; F171-L181 HydrophobicContact CD2-CD2 4.3Å; F171-L181 HydrophobicContact CE2-CD2 3.7Å; F171-L181 HydrophobicContact CZ-CD2 4.04Å; F177-L181 HydrophobicContact CE1-CD2 4.13Å; F177-L181 WeakPolarHBondContact O-CB 3.4Å; F177-L181 PolarHBondContact O-N 2.85Å; T179-L181 VanDerWaalsContact C-N 3.32Å; T179-L181 PolarHBondContact O-N 3.32Å; L181-V183 PolarHBondContact O-N 3.44Å; L181-G184 PolarHBondContact O-N 2.93Å; L181-G184 VanDerWaalsContact O-N 3.14Å; L181-Y185 HydrophobicContact CD1-CD1 4.35Å; L181-Y185 HydrophobicContact CG-CD1 3.92Å; L181-Y185 HydrophobicContact CG-CE1 3.95Å; L181-Y185 WeakPolarHBondContact O-CD1 3.12Å; L181-Y185 WeakPolarHBondContact O-CE1 3.13Å; L181-Y185 PolarHBondContact O-N 3.31Å
182T94Very high93.1Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-63-41.1-178.6-60.30000112.6N178 T179 G184 F186 W187 H749 L753N178-T182 VanDerWaalsContact O-CB 3.24Å; N178-T182 WeakPolarHBondContact O-CB 3.45Å; N178-T182 PolarHBondContact O-N 2.93Å; N178-T182 PolarHBondContact O-OG1 2.9Å; T179-T182 PolarHBondContact O-N 3.44Å; T182-G184 VanDerWaalsContact C-N 3.34Å; T182-F186 VanDerWaalsContact O-CB 3.31Å; T182-F186 WeakPolarHBondContact O-CB 3.41Å; T182-F186 PolarHBondContact O-N 3.27Å; T182-W187 PolarHBondContact O-N 3.36Å; T182-H749 HydrophobicContact CG2-CB 4.26Å; T182-L753 HydrophobicContact CG2-CD2 4.26Å; T182-L753 HydrophobicContact CG2-CG 4.32Å
183V94.9Very high93.6Very high56 Ų5649 Ų4934%0.33926%0.256SS..Iπ-helixtrans-62.1-44.9173.2171.30000110.7T179 L181 W187 I188T179-V183 HydrophobicContact CG2-CG2 4.14Å; T179-V183 WeakPolarHBondContact O-CB 3.41Å; T179-V183 VanDerWaalsContact O-CG2 3.26Å; T179-V183 WeakPolarHBondContact O-CG2 3.27Å; T179-V183 PolarHBondContact O-N 3.29Å; L181-V183 PolarHBondContact O-N 3.44Å; V183-W187 PolarHBondContact O-N 3.18Å; V183-I188 HydrophobicContact CG1-CD1 4.45Å; V183-I188 HydrophobicContact CG1-CG1 4.33Å; V183-I188 WeakPolarHBondContact O-CG1 3.42Å; V183-I188 PolarHBondContact O-N 3.39Å
184G94.7Very high94.2Very high36 Ų3647.6 Ų47.637%0.37126%0.257SS..Iπ-helixtrans-59.2-58.2-179.300000113.6T180 L181 T182T180-G184 PolarHBondContact O-N 2.9Å; L181-G184 PolarHBondContact O-N 2.93Å; L181-G184 VanDerWaalsContact O-N 3.14Å; T182-G184 VanDerWaalsContact C-N 3.34Å
185Y95.1Very high94.7Very high20 Ų2047.5 Ų47.58%0.07827%0.267CS..Iπ-helixtrans-84.3-31.6-173.976.2-104.3000113.4L99 Q102 F146 L181 T189 H749L99-Y185 HydrophobicContact CD1-CD2 3.79Å; L99-Y185 HydrophobicContact CD1-CG 4.15Å; Q102-Y185 PolarHBondContact NE2-O 2.79Å; F146-Y185 HydrophobicContact CZ-CD1 4.48Å; F146-Y185 HydrophobicContact CZ-CE1 4.35Å; L181-Y185 HydrophobicContact CD1-CD1 4.35Å; L181-Y185 HydrophobicContact CG-CD1 3.92Å; L181-Y185 HydrophobicContact CG-CE1 3.95Å; L181-Y185 WeakPolarHBondContact O-CD1 3.12Å; L181-Y185 WeakPolarHBondContact O-CE1 3.13Å; L181-Y185 PolarHBondContact O-N 3.31Å; Y185-T189 VanDerWaalsContact O-CB 3.26Å; Y185-T189 WeakPolarHBondContact O-CB 3.36Å; Y185-T189 PolarHBondContact O-OG1 3.03Å; Y185-H749 AromaticContact CE2-CE1 3.53Å; Y185-H749 AromaticContact CZ-CE1 3.74Å; Y185-H749 PolarHBondContact OH-CE1 2.91Å; Y185-H749 PolarHBondContact OH-ND1 2.65Å
186F96.4Very high95.1Very high0 Ų046.4 Ų46.40%026%0.259CS..Iπ-helixtrans-99-64.7-175.6-179.2-104.5000113.5T182 T189 L190 F741 W745 H749T182-F186 VanDerWaalsContact O-CB 3.31Å; T182-F186 WeakPolarHBondContact O-CB 3.41Å; T182-F186 PolarHBondContact O-N 3.27Å; F186-T189 PolarHBondContact O-N 2.89Å; F186-L190 HydrophobicContact CE1-CD2 3.99Å; F186-L190 HydrophobicContact CZ-CD2 3.9Å; F186-L190 WeakPolarHBondContact O-CB 3.26Å; F186-L190 PolarHBondContact O-N 3.03Å; F186-F741 HydrophobicContact CD2-CZ 4.47Å; F186-F741 HydrophobicContact CE2-CE1 4.11Å; F186-F741 AromaticContact CE2-CZ 3.99Å; F186-F741 HydrophobicContact CE2-CZ 3.99Å; F186-W745 HydrophobicContact CE2-CB 3.6Å; F186-W745 HydrophobicContact CE2-CG 4.46Å; F186-W745 HydrophobicContact CZ-CB 4.04Å; F186-H749 HydrophobicContact CD1-CB 3.49Å; F186-H749 VanDerWaalsContact CD1-CB 3.49Å; F186-H749 AromaticContact CD1-CD2 3.47Å; F186-H749 VanDerWaalsContact CD1-CD2 3.47Å; F186-H749 WeakPolarHBondContact CD1-CD2 3.36Å; F186-H749 AromaticContact CD1-CG 3.49Å; F186-H749 VanDerWaalsContact CD1-CG 3.49Å; F186-H749 AromaticContact CD2-CD2 3.15Å; F186-H749 WeakPolarHBondContact CD2-CD2 3.28Å; F186-H749 AromaticContact CD2-CG 3.97Å; F186-H749 AromaticContact CD2-NE2 3.4Å; F186-H749 WeakPolarHBondContact CD2-NE2 3.26Å; F186-H749 HydrophobicContact CE1-CB 3.59Å; F186-H749 AromaticContact CE1-CD2 3.62Å; F186-H749 AromaticContact CE1-CG 3.84Å; F186-H749 AromaticContact CE2-CD2 3.32Å; F186-H749 WeakPolarHBondContact CE2-CD2 3.43Å; F186-H749 AromaticContact CE2-NE2 3.9Å; F186-H749 HydrophobicContact CG-CB 4.1Å; F186-H749 AromaticContact CG-CD2 3.23Å; F186-H749 WeakPolarHBondContact CG-CD2 3.36Å; F186-H749 AromaticContact CG-CG 3.56Å; F186-H749 AromaticContact CG-NE2 3.65Å; F186-H749 HydrophobicContact CZ-CB 4.3Å; F186-H749 AromaticContact CZ-CD2 3.55Å
187W96.7Very high95.3Very high61 Ų6142.9 Ų42.923%0.23124%0.237CC..Iπ-helixtrans-67.4-43.2-168.1-68.396.9000113.2T182 V183 L190 I191 T746 H749 I750 L753T182-W187 PolarHBondContact O-N 3.36Å; V183-W187 PolarHBondContact O-N 3.18Å; W187-L190 HydrophobicContact CE3-CD2 4.38Å; W187-L190 HydrophobicContact CZ3-CD2 4.45Å; W187-L190 PolarHBondContact O-N 3.17Å; W187-I191 VanDerWaalsContact O-CG1 3.31Å; W187-I191 WeakPolarHBondContact O-CG1 3.32Å; W187-I191 PolarHBondContact O-N 3.21Å; W187-T746 HydrophobicContact CH2-CG2 4.09Å; W187-H749 HydrophobicContact CZ2-CB 4.47Å; W187-I750 HydrophobicContact CH2-CD1 4.38Å; W187-I750 HydrophobicContact CH2-CG1 3.73Å; W187-I750 HydrophobicContact CZ2-CG1 3.83Å; W187-L753 HydrophobicContact CZ2-CD1 3.87Å
188I97.2Very high95.4Very high88 Ų8842.7 Ų42.745%0.45124%0.242SC..Hα-helixtrans-60.7-47.9174.8-68.2176.2000110V183 L190 I191 I192V183-I188 HydrophobicContact CG1-CD1 4.45Å; V183-I188 HydrophobicContact CG1-CG1 4.33Å; V183-I188 WeakPolarHBondContact O-CG1 3.42Å; V183-I188 PolarHBondContact O-N 3.39Å; I188-L190 VanDerWaalsContact C-N 3.33Å; I188-L190 PolarHBondContact O-N 3.39Å; I188-I191 PolarHBondContact O-N 3.05Å; I188-I192 HydrophobicContact CG2-CD1 3.83Å; I188-I192 VanDerWaalsContact O-CG1 3.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.47Å; I188-I192 PolarHBondContact O-N 3.48Å
189T96.6Very high95.6Very high13 Ų1343.3 Ų43.38%0.0825%0.249CC..Hα-helixtrans-58.7-44.5178.3-56.10000111.7Y103 F106 Y185 F186 I192 M193Y103-T189 HydrophobicContact CE1-CG2 4.41Å; F106-T189 HydrophobicContact CB-CG2 4.14Å; F106-T189 HydrophobicContact CD2-CG2 4.18Å; F106-T189 HydrophobicContact CG-CG2 4.21Å; Y185-T189 VanDerWaalsContact O-CB 3.26Å; Y185-T189 WeakPolarHBondContact O-CB 3.36Å; Y185-T189 PolarHBondContact O-OG1 3.03Å; F186-T189 PolarHBondContact O-N 2.89Å; T189-I192 PolarHBondContact O-N 2.86Å; T189-M193 HydrophobicContact CG2-CG 4.46Å; T189-M193 HydrophobicContact CG2-SD 3.93Å; T189-M193 VanDerWaalsContact O-CG 3.28Å; T189-M193 WeakPolarHBondContact O-CG 3.18Å; T189-M193 PolarHBondContact O-N 3.22Å
190L96.9Very high95.5Very high17 Ų1742.2 Ų42.29%0.08924%0.243CC..Hα-helixtrans-61.7-46.3178.5174.860.5000111.9F186 W187 I188 I192 M193 C194 F741 I742F186-L190 HydrophobicContact CE1-CD2 3.99Å; F186-L190 HydrophobicContact CZ-CD2 3.9Å; F186-L190 WeakPolarHBondContact O-CB 3.26Å; F186-L190 PolarHBondContact O-N 3.03Å; W187-L190 HydrophobicContact CE3-CD2 4.38Å; W187-L190 HydrophobicContact CZ3-CD2 4.45Å; W187-L190 PolarHBondContact O-N 3.17Å; I188-L190 VanDerWaalsContact C-N 3.33Å; I188-L190 PolarHBondContact O-N 3.39Å; L190-I192 VanDerWaalsContact C-N 3.3Å; L190-I192 PolarHBondContact O-N 3.35Å; L190-M193 PolarHBondContact O-N 3.31Å; L190-C194 WeakPolarHBondContact O-CB 3.23Å; L190-C194 PolarHBondContact O-N 3.01Å; L190-C194 PolarHBondContact O-SG 3.44Å; L190-C194 VanDerWaalsContact O-SG 3.4Å; L190-F741 HydrophobicContact CD1-CD1 4.48Å; L190-F741 HydrophobicContact CD1-CE1 4.21Å; L190-I742 HydrophobicContact CD1-CD1 4.17Å; L190-I742 HydrophobicContact CD1-CG1 3.68Å
191I97.6Very high95.4Very high106 Ų10643.8 Ų43.854%0.54424%0.239SC..Hα-helixtrans-60.3-42.4177.4-69.7166.7000110.7W187 I188 S195W187-I191 VanDerWaalsContact O-CG1 3.31Å; W187-I191 WeakPolarHBondContact O-CG1 3.32Å; W187-I191 PolarHBondContact O-N 3.21Å; I188-I191 PolarHBondContact O-N 3.05Å; I191-S195 WeakPolarHBondContact O-CB 3.29Å; I191-S195 PolarHBondContact O-N 3.3Å; I191-S195 PolarHBondContact O-OG 3.47Å
192I97.7Very high95.3Very high72 Ų7248 Ų4837%0.36926%0.256SS..Hα-helixtrans-65-46177-63.1168.1000110.3F106 I188 T189 L190 C194 S195 L196F106-I192 HydrophobicContact CE2-CB 4.38Å; F106-I192 HydrophobicContact CE2-CG2 3.73Å; F106-I192 HydrophobicContact CZ-CG2 4.46Å; I188-I192 HydrophobicContact CG2-CD1 3.83Å; I188-I192 VanDerWaalsContact O-CG1 3.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.47Å; I188-I192 PolarHBondContact O-N 3.48Å; T189-I192 PolarHBondContact O-N 2.86Å; L190-I192 VanDerWaalsContact C-N 3.3Å; L190-I192 PolarHBondContact O-N 3.35Å; I192-C194 PolarHBondContact O-N 3.45Å; I192-S195 PolarHBondContact O-N 3.41Å; I192-L196 HydrophobicContact CG2-CD1 3.89Å; I192-L196 HydrophobicContact CG2-CG 4.18Å; I192-L196 WeakPolarHBondContact O-CB 3.4Å; I192-L196 VanDerWaalsContact O-CG 3.25Å; I192-L196 WeakPolarHBondContact O-CG 3.15Å; I192-L196 PolarHBondContact O-N 3.19Å
193M95.9Very high95.1Very high1 Ų149.4 Ų49.41%0.00527%0.265CS..Hα-helixtrans-58.3-46.6177.8-73.4173.159.200112.3V105 F106 T189 L190 S195 L196 Y197 L738 F741V105-M193 HydrophobicContact CB-CE 4.19Å; V105-M193 HydrophobicContact CG1-CE 3.52Å; F106-M193 HydrophobicContact CB-CG 4.24Å; F106-M193 HydrophobicContact CB-SD 3.92Å; F106-M193 HydrophobicContact CD2-CG 3.69Å; F106-M193 HydrophobicContact CD2-SD 4.4Å; F106-M193 HydrophobicContact CG-CG 4.47Å; T189-M193 HydrophobicContact CG2-CG 4.46Å; T189-M193 HydrophobicContact CG2-SD 3.93Å; T189-M193 VanDerWaalsContact O-CG 3.28Å; T189-M193 WeakPolarHBondContact O-CG 3.18Å; T189-M193 PolarHBondContact O-N 3.22Å; L190-M193 PolarHBondContact O-N 3.31Å; M193-S195 PolarHBondContact O-N 3.04Å; M193-L196 PolarHBondContact O-N 2.91Å; M193-Y197 WeakPolarHBondContact O-CB 3.34Å; M193-Y197 PolarHBondContact O-N 3.38Å; M193-L738 HydrophobicContact CB-CD2 4.43Å; M193-L738 HydrophobicContact CE-CD2 3.24Å; M193-F741 HydrophobicContact CE-CD1 3.95Å; M193-F741 HydrophobicContact CE-CE1 4.11Å; M193-F741 HydrophobicContact CE-CG 4.33Å; M193-F741 HydrophobicContact SD-CE1 4.32Å
194C96.4Very high94.6Very high48 Ų4847 Ų4732%0.32425%0.251SS..Hα-helixtrans-60.4-43.9175.4-72.80000111.7L190 I192 Y197 V198L190-C194 WeakPolarHBondContact O-CB 3.23Å; L190-C194 PolarHBondContact O-N 3.01Å; L190-C194 PolarHBondContact O-SG 3.44Å; L190-C194 VanDerWaalsContact O-SG 3.4Å; I192-C194 PolarHBondContact O-N 3.45Å; C194-Y197 PolarHBondContact O-N 2.88Å; C194-V198 WeakPolarHBondContact O-CG2 3.15Å; C194-V198 PolarHBondContact O-N 3.24Å
195S96.7Very high94.3Very high75 Ų7550 Ų5052%0.52426%0.255SS..Hα-helixtrans-63.6-43.2178.2-61.20000112.4I191 I192 M193 V198 G199I191-S195 WeakPolarHBondContact O-CB 3.29Å; I191-S195 PolarHBondContact O-N 3.3Å; I191-S195 PolarHBondContact O-OG 3.47Å; I192-S195 PolarHBondContact O-N 3.41Å; M193-S195 PolarHBondContact O-N 3.04Å; S195-V198 PolarHBondContact O-N 2.92Å; S195-G199 PolarHBondContact O-N 3.41Å
196L96Very high93.9Very high22 Ų2257.1 Ų57.112%0.11528%0.282CS..Hα-helixtrans-61-46.6174.1-69.5170000110.5F106 T109 L110 F113 I192 M193 V198 G199 I200F106-L196 HydrophobicContact CE2-CD1 4.19Å; T109-L196 HydrophobicContact CG2-CB 3.83Å; T109-L196 HydrophobicContact CG2-CD1 4.23Å; L110-L196 HydrophobicContact CD2-CD1 3.42Å; L110-L196 VanDerWaalsContact CD2-CD1 3.42Å; L110-L196 HydrophobicContact CD2-CD2 4Å; L110-L196 HydrophobicContact CD2-CG 4.36Å; L110-L196 HydrophobicContact CG-CD1 3.78Å; F113-L196 HydrophobicContact CB-CD2 4.23Å; F113-L196 HydrophobicContact CD1-CD2 3.77Å; F113-L196 HydrophobicContact CD2-CD2 4.28Å; F113-L196 HydrophobicContact CE1-CD2 4.1Å; F113-L196 HydrophobicContact CG-CD2 3.84Å; F113-L196 HydrophobicContact CZ-CD2 4.49Å; I192-L196 HydrophobicContact CG2-CD1 3.89Å; I192-L196 HydrophobicContact CG2-CG 4.18Å; I192-L196 WeakPolarHBondContact O-CB 3.4Å; I192-L196 VanDerWaalsContact O-CG 3.25Å; I192-L196 WeakPolarHBondContact O-CG 3.15Å; I192-L196 PolarHBondContact O-N 3.19Å; M193-L196 PolarHBondContact O-N 2.91Å; L196-V198 PolarHBondContact O-N 3.28Å; L196-G199 CarbonylContact O-C 3.57Å; L196-G199 VanDerWaalsContact O-CA 3.29Å; L196-G199 WeakPolarHBondContact O-CA 3.37Å; L196-G199 PolarHBondContact O-N 3.45Å; L196-I200 WeakPolarHBondContact O-CG1 3.35Å; L196-I200 PolarHBondContact O-N 3.38Å
197Y94.2Very high93.2Very high64 Ų6460.9 Ų60.925%0.25130%0.301SS..Hα-helixtrans-59.8-46.1178.3176.4-104.7000112.8M193 C194 G199 I200 Y201 L731 I734 S735 L738M193-Y197 WeakPolarHBondContact O-CB 3.34Å; M193-Y197 PolarHBondContact O-N 3.38Å; C194-Y197 PolarHBondContact O-N 2.88Å; Y197-G199 PolarHBondContact O-N 2.89Å; Y197-I200 WeakPolarHBondContact O-CB 3.43Å; Y197-I200 PolarHBondContact O-N 3.4Å; Y197-I200 VanDerWaalsContact O-N 3.09Å; Y197-Y201 PolarHBondContact O-N 2.92Å; Y197-L731 HydrophobicContact CE2-CD2 4.36Å; Y197-I734 HydrophobicContact CD2-CG2 3.78Å; Y197-I734 HydrophobicContact CE2-CG2 4.15Å; Y197-S735 PolarHBondContact OH-OG 3.3Å; Y197-L738 HydrophobicContact CD2-CD1 3.54Å; Y197-L738 HydrophobicContact CE2-CD1 4.41Å; Y197-L738 HydrophobicContact CG-CD1 3.68Å
198V94.7Very high92.4Very high69 Ų6963.5 Ų63.542%0.41832%0.316SS..Hα-helixtrans-57.8-39.4172.8171.80000110.5C194 S195 L196 Y201 K202C194-V198 WeakPolarHBondContact O-CG2 3.15Å; C194-V198 PolarHBondContact O-N 3.24Å; S195-V198 PolarHBondContact O-N 2.92Å; L196-V198 PolarHBondContact O-N 3.28Å; V198-Y201 PolarHBondContact O-N 3.03Å; V198-K202 HydrophobicContact CG1-CD 4.12Å; V198-K202 HydrophobicContact CG1-CG 4.47Å; V198-K202 WeakPolarHBondContact O-CB 3.33Å; V198-K202 VanDerWaalsContact O-CG 3.31Å; V198-K202 WeakPolarHBondContact O-CG 3.12Å; V198-K202 PolarHBondContact O-N 2.85Å
199G93.6Very high91.8Very high18 Ų1865.2 Ų65.219%0.18632%0.32CS..Hα-helixtrans-59.6-47.7171.900000113.5S195 L196 Y197 K202 V203S195-G199 PolarHBondContact O-N 3.41Å; L196-G199 CarbonylContact O-C 3.57Å; L196-G199 VanDerWaalsContact O-CA 3.29Å; L196-G199 WeakPolarHBondContact O-CA 3.37Å; L196-G199 PolarHBondContact O-N 3.45Å; Y197-G199 PolarHBondContact O-N 2.89Å; G199-K202 PolarHBondContact O-N 2.96Å; G199-V203 WeakPolarHBondContact O-CG2 3.46Å; G199-V203 PolarHBondContact O-N 3.42Å
200I92Very high91Very high1 Ų171.1 Ų71.11%0.00535%0.345CS..Hα-helixtrans-59.4-49.2176.3-59.5171.7000109.9T109 R112 F113 V116 L196 Y197 K202 V203 A204 L731 I734T109-I200 HydrophobicContact CG2-CD1 4.47Å; R112-I200 HydrophobicContact CB-CD1 3.99Å; F113-I200 HydrophobicContact CB-CD1 4.12Å; F113-I200 HydrophobicContact CB-CG1 3.89Å; F113-I200 HydrophobicContact CD2-CG1 3.89Å; F113-I200 HydrophobicContact CG-CG1 4.4Å; V116-I200 HydrophobicContact CB-CG2 4.44Å; V116-I200 HydrophobicContact CG1-CG2 4.35Å; V116-I200 HydrophobicContact CG2-CG2 4.17Å; L196-I200 WeakPolarHBondContact O-CG1 3.35Å; L196-I200 PolarHBondContact O-N 3.38Å; Y197-I200 WeakPolarHBondContact O-CB 3.43Å; Y197-I200 PolarHBondContact O-N 3.4Å; Y197-I200 VanDerWaalsContact O-N 3.09Å; I200-K202 PolarHBondContact O-N 2.92Å; I200-V203 PolarHBondContact O-N 3.46Å; I200-A204 VanDerWaalsContact O-CB 3.31Å; I200-A204 WeakPolarHBondContact O-CB 3.26Å; I200-A204 PolarHBondContact O-N 2.95Å; I200-L731 HydrophobicContact CB-CD2 4.26Å; I200-L731 HydrophobicContact CG2-CD2 3.49Å; I200-L731 VanDerWaalsContact CG2-CD2 3.49Å; I200-L731 HydrophobicContact CG2-CG 4.19Å; I200-I734 HydrophobicContact CD1-CD1 4.09Å
201Y91.6Very high89.7Confident126 Ų12670.7 Ų70.749%0.49434%0.343SS..Hα-helixtrans-58.4-48.3179.2176.8-96.6000111.6Y197 V198 V203 A204 H205Y197-Y201 PolarHBondContact O-N 2.92Å; V198-Y201 PolarHBondContact O-N 3.03Å; Y201-V203 PolarHBondContact O-N 2.96Å; Y201-A204 PolarHBondContact O-N 3.36Å; Y201-H205 VanDerWaalsContact O-CB 3.26Å; Y201-H205 WeakPolarHBondContact O-CB 3.49Å; Y201-H205 PolarHBondContact O-N 2.81Å
202K92.8Very high88.6Confident115 Ų11570.4 Ų70.450%0.534%0.342SS..Hα-helixtrans-59.2-45.5177.7-77.6177.1179.3177.10111.9V198 G199 I200 R206V198-K202 HydrophobicContact CG1-CD 4.12Å; V198-K202 HydrophobicContact CG1-CG 4.47Å; V198-K202 WeakPolarHBondContact O-CB 3.33Å; V198-K202 VanDerWaalsContact O-CG 3.31Å; V198-K202 WeakPolarHBondContact O-CG 3.12Å; V198-K202 PolarHBondContact O-N 2.85Å; G199-K202 PolarHBondContact O-N 2.96Å; I200-K202 PolarHBondContact O-N 2.92Å; K202-R206 VanDerWaalsContact O-CG 3.24Å; K202-R206 WeakPolarHBondContact O-CG 3.48Å; K202-R206 PolarHBondContact O-N 3.02Å
203V89.4Confident87.8Confident30 Ų3070.7 Ų70.718%0.18234%0.342CS..Hα-helixtrans-67.3-46179.81760000111V116 G199 I200 Y201 H205 R206 L207V116-V203 HydrophobicContact CG1-CB 3.84Å; V116-V203 HydrophobicContact CG1-CG1 3.55Å; G199-V203 WeakPolarHBondContact O-CG2 3.46Å; G199-V203 PolarHBondContact O-N 3.42Å; I200-V203 PolarHBondContact O-N 3.46Å; Y201-V203 PolarHBondContact O-N 2.96Å; V203-H205 VanDerWaalsContact C-N 3.34Å; V203-H205 PolarHBondContact O-N 3.43Å; V203-R206 WeakPolarHBondContact O-CB 3.25Å; V203-R206 PolarHBondContact O-N 3.49Å; V203-L207 HydrophobicContact CG1-CD1 4.12Å; V203-L207 HydrophobicContact CG1-CG 4.4Å; V203-L207 WeakPolarHBondContact O-CG 3.4Å; V203-L207 PolarHBondContact O-N 3.43Å
204A85.5Confident86.8Confident6 Ų672.3 Ų72.35%0.0535%0.354CS..Hα-helixtrans-61.4-42177.700000112.2I200 Y201 L207 Q208 L731I200-A204 VanDerWaalsContact O-CB 3.31Å; I200-A204 WeakPolarHBondContact O-CB 3.26Å; I200-A204 PolarHBondContact O-N 2.95Å; Y201-A204 PolarHBondContact O-N 3.36Å; A204-L207 PolarHBondContact O-N 3.31Å; A204-Q208 PolarHBondContact O-N 3.08Å; A204-L731 HydrophobicContact CB-CD1 3.35Å; A204-L731 HydrophobicContact CB-CG 4.17Å
205H87Confident85.6Confident97 Ų9772.5 Ų72.545%0.44936%0.355SS..Hα-helixtrans-62.8-42.5174.9-178.2-95.6000111.8Y201 V203 L207 Q208 K209Y201-H205 VanDerWaalsContact O-CB 3.26Å; Y201-H205 WeakPolarHBondContact O-CB 3.49Å; Y201-H205 PolarHBondContact O-N 2.81Å; V203-H205 VanDerWaalsContact C-N 3.34Å; V203-H205 PolarHBondContact O-N 3.43Å; H205-L207 PolarHBondContact O-N 3.31Å; H205-Q208 WeakPolarHBondContact O-CB 3.19Å; H205-Q208 PolarHBondContact O-N 3.38Å; H205-K209 PolarHBondContact O-N 2.59Å
206R87Confident84.6Confident171 Ų17174.7 Ų74.765%0.64536%0.355SS*.Hα-helixtrans-61.4-42.7173.9-72.7173.1-166.7-178.22.8112K202 V203 Q208 K209 K210K202-R206 VanDerWaalsContact O-CG 3.24Å; K202-R206 WeakPolarHBondContact O-CG 3.48Å; K202-R206 PolarHBondContact O-N 3.02Å; V203-R206 WeakPolarHBondContact O-CB 3.25Å; V203-R206 PolarHBondContact O-N 3.49Å; R206-Q208 VanDerWaalsContact C-N 3.31Å; R206-Q208 PolarHBondContact O-N 3.47Å; R206-K209 PolarHBondContact O-N 3.07Å; R206-K210 WeakPolarHBondContact O-CB 3.35Å; R206-K210 PolarHBondContact O-N 3.46Å
207L81.6Confident83.8Confident78 Ų7881 Ų8141%0.40838%0.378SS..Hα-helixtrans-62.9-38.9176.5-71.4172.8000111.7V203 A204 H205 S211V203-L207 HydrophobicContact CG1-CD1 4.12Å; V203-L207 HydrophobicContact CG1-CG 4.4Å; V203-L207 WeakPolarHBondContact O-CG 3.4Å; V203-L207 PolarHBondContact O-N 3.43Å; A204-L207 PolarHBondContact O-N 3.31Å; H205-L207 PolarHBondContact O-N 3.31Å; L207-S211 WeakPolarHBondContact O-CB 3.49Å; L207-S211 PolarHBondContact O-N 2.96Å; L207-S211 VanDerWaalsContact O-N 3.09Å; L207-S211 PolarHBondContact O-OG 3.48Å; L207-S211 VanDerWaalsContact O-OG 3.05Å
208Q79.7Confident82.8Confident116 Ų11679 Ų7954%0.54237%0.371SS..Hα-helixtrans-65.2-44.1174.5-174.8177.5-4.800111.8A204 H205 R206 S211 L212A204-Q208 PolarHBondContact O-N 3.08Å; H205-Q208 WeakPolarHBondContact O-CB 3.19Å; H205-Q208 PolarHBondContact O-N 3.38Å; R206-Q208 VanDerWaalsContact C-N 3.31Å; R206-Q208 PolarHBondContact O-N 3.47Å; Q208-S211 WeakPolarHBondContact O-CB 3.02Å; Q208-S211 PolarHBondContact O-N 2.95Å; Q208-L212 PolarHBondContact O-N 3.14Å; Q208-L212 VanDerWaalsContact O-N 3.08Å
209K84.8Confident81.7Confident125 Ų12577.6 Ų77.654%0.54336%0.362SS..Hα-helixtrans-64.4-52.2177.8-173.8178.7176.8-178.50112.2H205 R206 S211 L212 E213H205-K209 PolarHBondContact O-N 2.59Å; R206-K209 PolarHBondContact O-N 3.07Å; K209-S211 PolarHBondContact O-N 2.95Å; K209-L212 PolarHBondContact O-N 3.4Å; K209-L212 VanDerWaalsContact O-N 3.08Å; K209-E213 VanDerWaalsContact CE-OE1 3.23Å; K209-E213 WeakPolarHBondContact CE-OE1 3.1Å; K209-E213 WeakPolarHBondContact O-CG 3.14Å; K209-E213 PolarHBondContact O-N 2.95Å; K209-E213 VanDerWaalsContact O-N 3.07Å
210K80.8Confident81Confident136 Ų13682.5 Ų82.559%0.59138%0.381SS*.Hα-helixtrans-56.9-37.4178.3-175175.6-179.2178.40111.5R206 E213 S214R206-K210 WeakPolarHBondContact O-CB 3.35Å; R206-K210 PolarHBondContact O-N 3.46Å; K210-E213 WeakPolarHBondContact O-CB 3.18Å; K210-E213 PolarHBondContact O-N 3.45Å; K210-S214 PolarHBondContact O-N 3.17Å; K210-S214 PolarHBondContact O-OG 3.32Å
211S68.2Low80.3Confident9 Ų987.4 Ų87.46%0.06340%0.402CS..Hα-helixtrans-65.6-43.2175.4-89.20000115.3L207 Q208 K209 E213 S214 S215 R724L207-S211 WeakPolarHBondContact O-CB 3.49Å; L207-S211 PolarHBondContact O-N 2.96Å; L207-S211 VanDerWaalsContact O-N 3.09Å; L207-S211 PolarHBondContact O-OG 3.48Å; L207-S211 VanDerWaalsContact O-OG 3.05Å; Q208-S211 WeakPolarHBondContact O-CB 3.02Å; Q208-S211 PolarHBondContact O-N 2.95Å; K209-S211 PolarHBondContact O-N 2.95Å; S211-E213 PolarHBondContact O-N 2.87Å; S211-S214 PolarHBondContact O-N 3.26Å; S211-S215 WeakPolarHBondContact O-CB 3.5Å; S211-S215 PolarHBondContact O-N 2.94Å; S211-S215 PolarHBondContact O-OG 3.44Å; S211-R724 WeakPolarHBondContact OG-CD 3.24Å; S211-R724 PolarHBondContact OG-NE 2.94Å; S211-R724 PolarHBondContact OG-NH1 3.21Å; S211-R724 PolarHBondContact OG-NH2 3.42Å; S211-R724 VanDerWaalsContact OG-NH2 3.12Å
212L75.7Confident79.4Confident100 Ų10084.3 Ų84.352%0.52439%0.394SS..Hα-helixtrans-62.7-37.7175.9-178.761.4000110Q208 K209 K216Q208-L212 PolarHBondContact O-N 3.14Å; Q208-L212 VanDerWaalsContact O-N 3.08Å; K209-L212 PolarHBondContact O-N 3.4Å; K209-L212 VanDerWaalsContact O-N 3.08Å; L212-K216 WeakPolarHBondContact O-CB 3.5Å; L212-K216 VanDerWaalsContact O-CG 3.24Å; L212-K216 WeakPolarHBondContact O-CG 3.38Å; L212-K216 PolarHBondContact O-N 3.28Å
213E80Confident78.5Confident78 Ų7880.9 Ų80.936%0.36438%0.383SS..Hα-helixtrans-66-46.4173.9-67.4167.3-171.700112.1K209 K210 S211 S215 K216 R217K209-E213 VanDerWaalsContact CE-OE1 3.23Å; K209-E213 WeakPolarHBondContact CE-OE1 3.1Å; K209-E213 WeakPolarHBondContact O-CG 3.14Å; K209-E213 PolarHBondContact O-N 2.95Å; K209-E213 VanDerWaalsContact O-N 3.07Å; K210-E213 WeakPolarHBondContact O-CB 3.18Å; K210-E213 PolarHBondContact O-N 3.45Å; S211-E213 PolarHBondContact O-N 2.87Å; E213-S215 VanDerWaalsContact C-N 3.34Å; E213-S215 PolarHBondContact O-N 3.21Å; E213-K216 WeakPolarHBondContact O-CB 3.44Å; E213-K216 PolarHBondContact O-N 3.28Å; E213-K216 VanDerWaalsContact O-N 3.15Å; E213-R217 WeakPolarHBondContact O-CG 3.2Å; E213-R217 PolarHBondContact O-N 3.19Å
214S74.4Confident78Confident35 Ų3585.5 Ų85.525%0.24540%0.4CS..Hα-helixtrans-60.5-41.4174.5-65.30000112.4K210 S211 R217 L218K210-S214 PolarHBondContact O-N 3.17Å; K210-S214 PolarHBondContact O-OG 3.32Å; S211-S214 PolarHBondContact O-N 3.26Å; S214-R217 PolarHBondContact O-N 3.49Å; S214-L218 PolarHBondContact O-N 3.4Å
215S72.3Confident77.4Confident51 Ų5187.7 Ų87.736%0.35741%0.41SS..Hα-helixtrans-63.4-41173.4-72.40000111.8S211 E213 L218 V219S211-S215 WeakPolarHBondContact O-CB 3.5Å; S211-S215 PolarHBondContact O-N 2.94Å; S211-S215 PolarHBondContact O-OG 3.44Å; E213-S215 VanDerWaalsContact C-N 3.34Å; E213-S215 PolarHBondContact O-N 3.21Å; S215-L218 PolarHBondContact O-N 2.89Å; S215-V219 VanDerWaalsContact O-CG2 3.3Å; S215-V219 WeakPolarHBondContact O-CG2 3.5Å; S215-V219 PolarHBondContact O-N 3.12Å; S215-V219 VanDerWaalsContact O-N 3.09Å
216K75.9Confident76.5Confident122 Ų12285.6 Ų85.653%0.5340%0.403SS..Hα-helixtrans-62.2-45.5173.8-76.1172179.7-177.30111.8L212 E213 V219 Q220L212-K216 WeakPolarHBondContact O-CB 3.5Å; L212-K216 VanDerWaalsContact O-CG 3.24Å; L212-K216 WeakPolarHBondContact O-CG 3.38Å; L212-K216 PolarHBondContact O-N 3.28Å; E213-K216 WeakPolarHBondContact O-CB 3.44Å; E213-K216 PolarHBondContact O-N 3.28Å; E213-K216 VanDerWaalsContact O-N 3.15Å; K216-V219 PolarHBondContact O-N 3.01Å; K216-Q220 WeakPolarHBondContact O-CG 3.4Å; K216-Q220 PolarHBondContact O-N 3.4Å
217R78.4Confident75.9Confident154 Ų15483.5 Ų83.558%0.58140%0.4SS*.Hα-helixtrans-62.4-41.5177.9-71.8178.5-174-177.11.9112.1E213 S214 V219 Q220 F221E213-R217 WeakPolarHBondContact O-CG 3.2Å; E213-R217 PolarHBondContact O-N 3.19Å; S214-R217 PolarHBondContact O-N 3.49Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.3Å; R217-Q220 PolarHBondContact O-N 3.36Å; R217-F221 WeakPolarHBondContact O-CB 3.2Å; R217-F221 PolarHBondContact O-N 2.88Å
218L73.6Confident75.3Confident21 Ų2183.5 Ų83.511%0.1140%0.401CS..Hα-helixtrans-57.9-49.8173.2179.756.2000110.8S214 S215 Q220 F221 L222 F710 F713S214-L218 PolarHBondContact O-N 3.4Å; S215-L218 PolarHBondContact O-N 2.89Å; L218-Q220 VanDerWaalsContact C-N 3.29Å; L218-Q220 PolarHBondContact O-N 2.84Å; L218-F221 WeakPolarHBondContact O-CB 3.41Å; L218-F221 PolarHBondContact O-N 3.29Å; L218-L222 HydrophobicContact CD1-CD1 4.04Å; L218-L222 HydrophobicContact CD1-CG 4.06Å; L218-L222 HydrophobicContact CD2-CD1 4.38Å; L218-L222 HydrophobicContact CG-CD1 3.9Å; L218-L222 HydrophobicContact CG-CG 4.35Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.4Å; L218-L222 PolarHBondContact O-N 3.09Å; L218-F710 HydrophobicContact CD1-CE2 4.49Å; L218-F713 HydrophobicContact CB-CD1 4.23Å; L218-F713 HydrophobicContact CB-CE1 3.38Å; L218-F713 HydrophobicContact CB-CZ 3.59Å; L218-F713 HydrophobicContact CD1-CD1 3.25Å; L218-F713 HydrophobicContact CD1-CD2 4.45Å; L218-F713 HydrophobicContact CD1-CE1 3.36Å; L218-F713 HydrophobicContact CD1-CE2 4.47Å; L218-F713 HydrophobicContact CD1-CG 3.87Å; L218-F713 HydrophobicContact CD1-CZ 3.97Å; L218-F713 HydrophobicContact CD2-CD1 3.67Å; L218-F713 HydrophobicContact CD2-CE1 3.39Å; L218-F713 HydrophobicContact CD2-CZ 4.45Å; L218-F713 HydrophobicContact CG-CD1 3.83Å; L218-F713 HydrophobicContact CG-CE1 3.47Å; L218-F713 VanDerWaalsContact CG-CE1 3.47Å; L218-F713 HydrophobicContact CG-CZ 4.14Å
219V72.4Confident74.3Confident40 Ų4080 Ų8024%0.24239%0.389CS..Hα-helixtrans-64.2-39.1-178.2-178.50000110.6S215 K216 R217 L222 T223S215-V219 VanDerWaalsContact O-CG2 3.3Å; S215-V219 WeakPolarHBondContact O-CG2 3.5Å; S215-V219 PolarHBondContact O-N 3.12Å; S215-V219 VanDerWaalsContact O-N 3.09Å; K216-V219 PolarHBondContact O-N 3.01Å; R217-V219 VanDerWaalsContact C-N 3.34Å; R217-V219 PolarHBondContact O-N 3.3Å; V219-L222 PolarHBondContact O-N 3.44Å; V219-T223 HydrophobicContact CG1-CG2 4.36Å; V219-T223 WeakPolarHBondContact O-CG2 3.2Å; V219-T223 PolarHBondContact O-N 2.77Å; V219-T223 PolarHBondContact O-OG1 2.85Å; V219-T223 VanDerWaalsContact O-OG1 3.09Å
220Q78.5Confident72.9Confident122 Ų12278 Ų7857%0.5738%0.383SS*.Hα-helixtrans-60.7-43.1173.7-74.3171.4-22.200112.4K216 R217 L218 T223 K224K216-Q220 WeakPolarHBondContact O-CG 3.4Å; K216-Q220 PolarHBondContact O-N 3.4Å; R217-Q220 PolarHBondContact O-N 3.36Å; L218-Q220 VanDerWaalsContact C-N 3.29Å; L218-Q220 PolarHBondContact O-N 2.84Å; Q220-T223 VanDerWaalsContact CA-OG1 3.3Å; Q220-T223 WeakPolarHBondContact CA-OG1 3.3Å; Q220-T223 PolarHBondContact O-N 3.28Å; Q220-T223 PolarHBondContact O-OG1 3.41Å; Q220-K224 WeakPolarHBondContact O-CB 3.28Å; Q220-K224 PolarHBondContact O-N 2.73Å
221F76.2Confident71.7Confident104 Ų10477 Ų7746%0.45638%0.381SS..Hα-helixtrans-62.7-44175.9-179.5-107.7000111.7R217 L218 K224 I225R217-F221 WeakPolarHBondContact O-CB 3.2Å; R217-F221 PolarHBondContact O-N 2.88Å; L218-F221 WeakPolarHBondContact O-CB 3.41Å; L218-F221 PolarHBondContact O-N 3.29Å; F221-K224 PolarHBondContact O-N 3.1Å; F221-I225 HydrophobicContact CD1-CD1 3.7Å; F221-I225 HydrophobicContact CE1-CD1 3.26Å; F221-I225 HydrophobicContact CE1-CG1 4.37Å; F221-I225 HydrophobicContact CE2-CD1 4.23Å; F221-I225 HydrophobicContact CG-CD1 4.36Å; F221-I225 HydrophobicContact CZ-CD1 3.56Å; F221-I225 HydrophobicContact CZ-CG1 4.35Å; F221-I225 WeakPolarHBondContact O-CG1 3.31Å; F221-I225 PolarHBondContact O-N 3.34Å
222L73.2Confident70.9Confident61 Ų6179.8 Ų79.832%0.31940%0.4SS..Hα-helixtrans-65.3-40.7177-66.3172.1000112.5L218 V219 K224 I225 D226 F710L218-L222 HydrophobicContact CD1-CD1 4.04Å; L218-L222 HydrophobicContact CD1-CG 4.06Å; L218-L222 HydrophobicContact CD2-CD1 4.38Å; L218-L222 HydrophobicContact CG-CD1 3.9Å; L218-L222 HydrophobicContact CG-CG 4.35Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.4Å; L218-L222 PolarHBondContact O-N 3.09Å; V219-L222 PolarHBondContact O-N 3.44Å; L222-K224 VanDerWaalsContact C-N 3.29Å; L222-K224 PolarHBondContact O-N 2.78Å; L222-I225 PolarHBondContact O-N 2.91Å; L222-D226 WeakPolarHBondContact O-CB 3.28Å; L222-D226 PolarHBondContact O-N 3.5Å; L222-D226 VanDerWaalsContact O-N 3.09Å; L222-F710 HydrophobicContact CD1-CE2 3.99Å; L222-F710 HydrophobicContact CD2-CD2 3.69Å; L222-F710 HydrophobicContact CD2-CE2 3.45Å; L222-F710 VanDerWaalsContact CD2-CE2 3.45Å; L222-F710 HydrophobicContact CD2-CZ 4.45Å; L222-F710 HydrophobicContact CG-CE2 4.26Å
223T75Confident69.7Low43 Ų4381.7 Ų81.726%0.26441%0.406SS..Hα-helixtrans-64.9-33.9175.350.20000112.3V219 Q220 Q227V219-T223 HydrophobicContact CG1-CG2 4.36Å; V219-T223 WeakPolarHBondContact O-CG2 3.2Å; V219-T223 PolarHBondContact O-N 2.77Å; V219-T223 PolarHBondContact O-OG1 2.85Å; V219-T223 VanDerWaalsContact O-OG1 3.09Å; Q220-T223 VanDerWaalsContact CA-OG1 3.3Å; Q220-T223 WeakPolarHBondContact CA-OG1 3.3Å; Q220-T223 PolarHBondContact O-N 3.28Å; Q220-T223 PolarHBondContact O-OG1 3.41Å; T223-Q227 WeakPolarHBondContact O-CG 3.5Å; T223-Q227 PolarHBondContact O-N 2.91Å; T223-Q227 VanDerWaalsContact O-N 3.1Å
224K78.6Confident68.1Low126 Ų12679.3 Ų79.355%0.54840%0.398SS..Hα-helixtrans-70.8-41.5177.1-171.6175.1-179.6177.90111.8Q220 F221 L222 D226 Q227 D228Q220-K224 WeakPolarHBondContact O-CB 3.28Å; Q220-K224 PolarHBondContact O-N 2.73Å; F221-K224 PolarHBondContact O-N 3.1Å; L222-K224 VanDerWaalsContact C-N 3.29Å; L222-K224 PolarHBondContact O-N 2.78Å; K224-D226 VanDerWaalsContact C-N 3.28Å; K224-D226 PolarHBondContact O-N 2.96Å; K224-Q227 PolarHBondContact O-N 2.97Å; K224-D228 PolarHBondContact O-N 2.99Å
225I71.3Confident66.7Low52 Ų5282.1 Ų82.127%0.26741%0.411SS..Hα-helixtrans-60-42.6174.9-71.1169.6000111F221 L222 D228 S229F221-I225 HydrophobicContact CD1-CD1 3.7Å; F221-I225 HydrophobicContact CE1-CD1 3.26Å; F221-I225 HydrophobicContact CE1-CG1 4.37Å; F221-I225 HydrophobicContact CE2-CD1 4.23Å; F221-I225 HydrophobicContact CG-CD1 4.36Å; F221-I225 HydrophobicContact CZ-CD1 3.56Å; F221-I225 HydrophobicContact CZ-CG1 4.35Å; F221-I225 WeakPolarHBondContact O-CG1 3.31Å; F221-I225 PolarHBondContact O-N 3.34Å; L222-I225 PolarHBondContact O-N 2.91Å; I225-D228 PolarHBondContact O-N 3.39Å; I225-S229 WeakPolarHBondContact O-CB 3.1Å; I225-S229 PolarHBondContact O-N 3.5Å; I225-S229 PolarHBondContact O-OG 2.66Å
226D68.7Low65.4Low54 Ų5485 Ų8529%0.28942%0.418SS..Hα-helixtrans-62.4-44.9178.6-165.244.3000110.9L222 K224 S229 I230 V261L222-D226 WeakPolarHBondContact O-CB 3.28Å; L222-D226 PolarHBondContact O-N 3.5Å; L222-D226 VanDerWaalsContact O-N 3.09Å; K224-D226 VanDerWaalsContact C-N 3.28Å; K224-D226 PolarHBondContact O-N 2.96Å; D226-S229 PolarHBondContact O-N 3.47Å; D226-S229 PolarHBondContact O-OG 3.22Å; D226-I230 WeakPolarHBondContact O-CG1 2.92Å; D226-I230 PolarHBondContact O-N 3.37Å; D226-I230 VanDerWaalsContact O-N 3.13Å; D226-V261 WeakPolarHBondContact OD2-CG1 3.24Å
227Q74Confident63.8Low126 Ų12684.5 Ų84.559%0.58942%0.422SS*.Hα-helixtrans-60.7-46173.5-73.6175.5-15.900113.4T223 K224 S229 I230 H231T223-Q227 WeakPolarHBondContact O-CG 3.5Å; T223-Q227 PolarHBondContact O-N 2.91Å; T223-Q227 VanDerWaalsContact O-N 3.1Å; K224-Q227 PolarHBondContact O-N 2.97Å; Q227-S229 VanDerWaalsContact C-N 3.28Å; Q227-S229 PolarHBondContact O-N 2.94Å; Q227-I230 PolarHBondContact O-N 3.18Å; Q227-H231 PolarHBondContact O-N 3.03Å
228D70.6Confident62.1Low78 Ų7880.9 Ų80.942%0.41742%0.42SS..Hα-helixtrans-64.7-34.1179.6-70.6-18.3000111.7K224 I225 H231 S232K224-D228 PolarHBondContact O-N 2.99Å; I225-D228 PolarHBondContact O-N 3.39Å; D228-H231 PolarHBondContact O-N 3.27Å; D228-S232 PolarHBondContact O-N 3.18Å; D228-S232 PolarHBondContact O-OG 3.4Å
229S57Low60.8Low43 Ų4387 Ų8730%0.30145%0.451SS..Hα-helixtrans-68.6-35.9176.275.10000112.6I225 D226 Q227 S232 Q233I225-S229 WeakPolarHBondContact O-CB 3.1Å; I225-S229 PolarHBondContact O-N 3.5Å; I225-S229 PolarHBondContact O-OG 2.66Å; D226-S229 PolarHBondContact O-N 3.47Å; D226-S229 PolarHBondContact O-OG 3.22Å; Q227-S229 VanDerWaalsContact C-N 3.28Å; Q227-S229 PolarHBondContact O-N 2.94Å; S229-S232 PolarHBondContact O-OG 3.32Å; S229-Q233 PolarHBondContact O-N 3.42Å
230I56.9Low59.3Low82 Ų8292 Ų9242%0.42148%0.477SS..Hα-helixtrans-69.2-40.8173.8-65164.8000110.3D226 Q227 Q233 S234D226-I230 WeakPolarHBondContact O-CG1 2.92Å; D226-I230 PolarHBondContact O-N 3.37Å; D226-I230 VanDerWaalsContact O-N 3.13Å; Q227-I230 PolarHBondContact O-N 3.18Å; I230-Q233 PolarHBondContact O-N 2.99Å; I230-S234 PolarHBondContact O-N 3.5Å; I230-S234 VanDerWaalsContact O-N 3.08Å
231H55.8Low57.5Low117 Ų11793.1 Ų93.154%0.54249%0.486SS..Hα-helixtrans-69.8-36.3-178-142.4-43.8000112.8Q227 D228 S234 N235Q227-H231 PolarHBondContact O-N 3.03Å; D228-H231 PolarHBondContact O-N 3.27Å; H231-S234 WeakPolarHBondContact CA-OG 3.26Å; H231-S234 PolarHBondContact O-N 3.36Å; H231-S234 PolarHBondContact O-OG 2.65Å; H231-N235 PolarHBondContact O-N 3.4Å; H231-N235 VanDerWaalsContact O-N 3.17Å
232S50.9Low55.6Low67 Ų6791.6 Ų91.647%0.46950%0.5SS..Hα-helixtrans-75.6-25177.441.30000113.7D228 S229D228-S232 PolarHBondContact O-N 3.18Å; D228-S232 PolarHBondContact O-OG 3.4Å; S229-S232 PolarHBondContact O-OG 3.32Å
233Q50.1Low54Low139 Ų13995.7 Ų95.765%0.6552%0.523SS*.Hα-helixtrans-70.3-41.6164.9-78.5178.1-14.100111.4S229 I230 N235 Q236 D237S229-Q233 PolarHBondContact O-N 3.42Å; I230-Q233 PolarHBondContact O-N 2.99Å; Q233-N235 VanDerWaalsContact C-N 3.3Å; Q233-N235 PolarHBondContact O-N 3.46Å; Q233-Q236 PolarHBondContact O-N 2.91Å; Q233-D237 PolarHBondContact O-N 2.81Å
234S46.2Very low52.5Low29 Ų2999.8 Ų99.820%0.20354%0.543CS..Hα-helixtrans-68.1-24.2-178.369.70000115.4I230 H231 S238I230-S234 PolarHBondContact O-N 3.5Å; I230-S234 VanDerWaalsContact O-N 3.08Å; H231-S234 WeakPolarHBondContact CA-OG 3.26Å; H231-S234 PolarHBondContact O-N 3.36Å; H231-S234 PolarHBondContact O-OG 2.65Å; S234-S238 PolarHBondContact O-OG 3.02Å
235N44.8Very low50.7Low94 Ų94100.8 Ų100.850%0.50355%0.554SS.*THydrogen-bonded Turntrans-89.5-9.5178.2-75.3-0.6000113.5H231 Q233 S238H231-N235 PolarHBondContact O-N 3.4Å; H231-N235 VanDerWaalsContact O-N 3.17Å; Q233-N235 VanDerWaalsContact C-N 3.3Å; Q233-N235 PolarHBondContact O-N 3.46Å; N235-S238 WeakPolarHBondContact CA-OG 3.46Å
236Q45.3Very low49.5Very low111 Ų111103.2 Ų103.252%0.51957%0.567SS.*THydrogen-bonded Turntrans-94.4-26.4171.8-68.1-163.2-88.300112.1Q233 S238 R699Q233-Q236 PolarHBondContact O-N 2.91Å; Q236-S238 PolarHBondContact O-N 3.04Å; Q236-R699 VanDerWaalsContact CD-NH2 3.34Å
237D42Very low48.4Very low112 Ų112107 Ų10760%0.59959%0.588SS**THydrogen-bonded Turntrans-77.8-1.6174-62.5-20.8000113.3Q233Q233-D237 PolarHBondContact O-N 2.81Å
238S43.9Very low46.9Very low77 Ų77108 Ų10854%0.53860%0.597SS.*THydrogen-bonded Turntrans-10911.1-175.432.20000114.4S234 N235 Q236S234-S238 PolarHBondContact O-OG 3.02Å; N235-S238 WeakPolarHBondContact CA-OG 3.46Å; Q236-S238 PolarHBondContact O-N 3.04Å
239I44.8Very low45.5Very low151 Ų151113 Ų11377%0.77461%0.61SS**SBendtrans-111.52.4176.8-62177.7000111.6
240D41.4Very low44.8Very low145 Ų145114.4 Ų114.478%0.77562%0.617SS**SBendtrans-132.128.5-173-143.817.7000114.2
241D41.4Very low44.1Very low144 Ų144115.8 Ų115.877%0.7762%0.624SS**  trans-120.684.2175.4-79.8-27.9000110.5
242G36.1Very low43.3Very low73 Ų73114.3 Ų114.375%0.75363%0.627SS**  trans-90.3136.8144.200000107.9
243D39.6Very low42.7Very low147 Ų147120.1 Ų120.179%0.78664%0.639SS**SBendtrans86113.6-178.8-81.8-16.8000119.7
244D43.7Very low42Very low129 Ų129119.2 Ų119.269%0.6963%0.633SS**  trans76.2101.1139.7-73.7-27.6000122.8N246D244-N246 PolarHBondContact O-N 3.28Å
245N40.8Very low41.7Very low147 Ų147124.3 Ų124.379%0.78665%0.653SS**  48.971.2126.2-79.6-35.2000118.3
246N45.6Very low41.5Very low102 Ų102123.8 Ų123.855%0.54566%0.657SS.*  trans-156.533.4157.2-114.4-39000116.6D244 N248 R249 T250D244-N246 PolarHBondContact O-N 3.28Å; N246-N248 PolarHBondContact O-N 2.86Å; N246-R249 PolarHBondContact O-N 3.42Å; N246-T250 PolarHBondContact O-OG1 3.4Å
247N44.5Very low41.3Very low134 Ų134126.1 Ų126.172%0.71767%0.665SS**Hα-helixtrans-62.6-14.1-169.1-78.7-25.3000117
248N42.9Very low41Very low147 Ų147123.2 Ų123.279%0.78665%0.654SS**Hα-helixtrans-88.9-21.8-179.5-74.9-22.1000114.6N246N246-N248 PolarHBondContact O-N 2.86Å
249R41.9Very low40.9Very low182 Ų182126.2 Ų126.269%0.68766%0.657SS**Hα-helixtrans-85.4-28.5179.7-80.5179.4172.5176.8-0.6113N246 R253N246-R249 PolarHBondContact O-N 3.42Å; R249-R253 PolarHBondContact O-N 3.04Å
250T41.7Very low40.8Very low74 Ų74125.8 Ų125.845%0.45465%0.65SS.*Hα-helixtrans-76.4-34.2-175.7-30.70000112.4N246 K254N246-T250 PolarHBondContact O-OG1 3.4Å; T250-K254 WeakPolarHBondContact O-CG 3.39Å; T250-K254 PolarHBondContact O-N 3.41Å; T250-K254 VanDerWaalsContact O-N 3.13Å
251I41.7Very low40.9Very low110 Ų110121 Ų12156%0.56463%0.626SS**Hα-helixtrans-69-41.4176.6-61.7173.9000110.8R253 K254 H255I251-R253 PolarHBondContact O-N 3.03Å; I251-K254 PolarHBondContact O-N 3.34Å; I251-H255 PolarHBondContact O-N 2.62Å
252S39.5Very low41Very low86 Ų86120 Ų12060%0.60162%0.617SS**Hα-helixtrans-66.1-37.4178.5-1390000112.5H255 S256S252-H255 PolarHBondContact O-N 3.01Å; S252-S256 WeakPolarHBondContact O-CB 3.38Å; S252-S256 PolarHBondContact O-N 3.3Å
253R38.9Very low41.4Very low190 Ų190120.9 Ų120.972%0.71760%0.604SS**Hα-helixtrans-68-37.8173.6-80.8179.7172.9168.6-1.9113.2R249 I251 K257R249-R253 PolarHBondContact O-N 3.04Å; I251-R253 PolarHBondContact O-N 3.03Å; R253-K257 PolarHBondContact O-N 2.95Å
254K36Very low41.6Very low119 Ų119117.2 Ų117.252%0.51758%0.584SS.*Hα-helixtrans-66-41.2175.2-77-179.6178.3176.70111.5T250 I251 K257 S258T250-K254 WeakPolarHBondContact O-CG 3.39Å; T250-K254 PolarHBondContact O-N 3.41Å; T250-K254 VanDerWaalsContact O-N 3.13Å; I251-K254 PolarHBondContact O-N 3.34Å; K254-K257 PolarHBondContact O-N 3.23Å; K254-S258 PolarHBondContact O-N 3.26Å; K254-S258 VanDerWaalsContact O-N 3.1Å
255H39.9Very low41.8Very low137 Ų137113.5 Ų113.563%0.63456%0.564SS**Hα-helixtrans-67.6-38.7176.9-125-38.7000112.8I251 S252 S258 K259I251-H255 PolarHBondContact O-N 2.62Å; S252-H255 PolarHBondContact O-N 3.01Å; H255-S258 PolarHBondContact O-N 3Å; H255-K259 WeakPolarHBondContact O-CB 3.3Å; H255-K259 PolarHBondContact O-N 3.21Å
256S39.6Very low42Very low82 Ų82111.4 Ų111.457%0.57355%0.55SS*.Hα-helixtrans-67.8-37.1176.6-167.20000113S252 F260S252-S256 WeakPolarHBondContact O-CB 3.38Å; S252-S256 PolarHBondContact O-N 3.3Å; S256-F260 WeakPolarHBondContact O-CB 3.41Å; S256-F260 PolarHBondContact O-N 3.31Å; S256-F260 VanDerWaalsContact O-N 3.08Å
257K40.3Very low41.9Very low160 Ų160111.4 Ų111.470%0.69655%0.546SS*.Hα-helixtrans-67.1-42.8173.9-82.8-177.6176179.10111.9R253 K254 F260 V261R253-K257 PolarHBondContact O-N 2.95Å; K254-K257 PolarHBondContact O-N 3.23Å; K257-F260 PolarHBondContact O-N 3.43Å; K257-V261 VanDerWaalsContact O-CG2 3.29Å; K257-V261 WeakPolarHBondContact O-CG2 3.5Å; K257-V261 PolarHBondContact O-N 3.06Å; K257-V261 VanDerWaalsContact O-N 3.09Å
258S36.3Very low41.8Very low52 Ų52114.5 Ų114.536%0.36455%0.548SS..Hα-helixtrans-60.8-45.7176.2162.60000111.9K254 H255 V261 Q262K254-S258 PolarHBondContact O-N 3.26Å; K254-S258 VanDerWaalsContact O-N 3.1Å; H255-S258 PolarHBondContact O-N 3Å; S258-V261 PolarHBondContact O-N 3.39Å; S258-Q262 WeakPolarHBondContact O-CB 3.38Å; S258-Q262 PolarHBondContact O-N 2.98Å; S258-Q262 VanDerWaalsContact O-N 3.07Å
259K42.3Very low41.8Very low139 Ų139112.9 Ų112.960%0.60453%0.531SS*.Hα-helixtrans-64.8-43.2178.9-160.6174-177.71800112.1H255 V261 Q262 D263H255-K259 WeakPolarHBondContact O-CB 3.3Å; H255-K259 PolarHBondContact O-N 3.21Å; K259-V261 PolarHBondContact O-N 3.44Å; K259-Q262 PolarHBondContact O-N 3.42Å; K259-D263 VanDerWaalsContact O-CG 3.3Å; K259-D263 PolarHBondContact O-N 3.31Å
260F42.2Very low41.7Very low142 Ų142109 Ų10962%0.62352%0.52SS*.Hα-helixtrans-62.3-37.6176.9-177.5-101.3000113.5S256 K257 N264S256-F260 WeakPolarHBondContact O-CB 3.41Å; S256-F260 PolarHBondContact O-N 3.31Å; S256-F260 VanDerWaalsContact O-N 3.08Å; K257-F260 PolarHBondContact O-N 3.43Å; F260-N264 WeakPolarHBondContact CD1-ND2 3.49Å; F260-N264 WeakPolarHBondContact CE1-ND2 3.07Å; F260-N264 VanDerWaalsContact CZ-ND2 3.31Å; F260-N264 WeakPolarHBondContact CZ-ND2 3.33Å; F260-N264 WeakPolarHBondContact O-CB 3.41Å; F260-N264 PolarHBondContact O-N 3.28Å; F260-N264 VanDerWaalsContact O-N 3.13Å; F260-N264 PolarHBondContact O-ND2 2.75Å
261V43.9Very low41.4Very low46 Ų46113.5 Ų113.528%0.27953%0.529SS..Hα-helixtrans-70.5-40.2176.2174.10000110.9D226 K257 S258 K259 N264 I265D226-V261 WeakPolarHBondContact OD2-CG1 3.24Å; K257-V261 VanDerWaalsContact O-CG2 3.29Å; K257-V261 WeakPolarHBondContact O-CG2 3.5Å; K257-V261 PolarHBondContact O-N 3.06Å; K257-V261 VanDerWaalsContact O-N 3.09Å; S258-V261 PolarHBondContact O-N 3.39Å; K259-V261 PolarHBondContact O-N 3.44Å; V261-N264 PolarHBondContact O-N 3.01Å; V261-I265 HydrophobicContact CG1-CD1 3.98Å; V261-I265 WeakPolarHBondContact O-CG1 3.48Å; V261-I265 PolarHBondContact O-N 2.97Å
262Q43.7Very low41.2Very low123 Ų123112.3 Ų112.358%0.57553%0.527SS*.Hα-helixtrans-64.6-42.2177.8-140.7158-6.900111.9S258 K259 I265 Q266S258-Q262 WeakPolarHBondContact O-CB 3.38Å; S258-Q262 PolarHBondContact O-N 2.98Å; S258-Q262 VanDerWaalsContact O-N 3.07Å; K259-Q262 PolarHBondContact O-N 3.42Å; Q262-I265 PolarHBondContact O-N 2.74Å; Q262-Q266 WeakPolarHBondContact O-CB 3.44Å; Q262-Q266 PolarHBondContact O-N 3.29Å
263D44.8Very low41Very low90 Ų90113.8 Ų113.848%0.48153%0.528SS..Hα-helixtrans-65.8-37.9175.7-69.5-23.8000112K259 Q266 Q267K259-D263 VanDerWaalsContact O-CG 3.3Å; K259-D263 PolarHBondContact O-N 3.31Å; D263-Q266 PolarHBondContact O-N 3.49Å; D263-Q267 WeakPolarHBondContact O-CB 3.48Å; D263-Q267 PolarHBondContact O-N 2.95Å
264N44.2Very low40.7Very low70 Ų70110.7 Ų110.737%0.37452%0.52SS..Hα-helixtrans-67.6-37.3175-85.5-57.7000112.9F260 V261 R268F260-N264 WeakPolarHBondContact CD1-ND2 3.49Å; F260-N264 WeakPolarHBondContact CE1-ND2 3.07Å; F260-N264 VanDerWaalsContact CZ-ND2 3.31Å; F260-N264 WeakPolarHBondContact CZ-ND2 3.33Å; F260-N264 WeakPolarHBondContact O-CB 3.41Å; F260-N264 PolarHBondContact O-N 3.28Å; F260-N264 VanDerWaalsContact O-N 3.13Å; F260-N264 PolarHBondContact O-ND2 2.75Å; V261-N264 PolarHBondContact O-N 3.01Å; N264-R268 WeakPolarHBondContact O-CB 2.97Å; N264-R268 PolarHBondContact O-N 3.48Å
265I47Very low40.5Very low52 Ų52110.4 Ų110.427%0.26752%0.524SS..Hα-helixtrans-68.7-39.3174.9-67.6167.8000110.5V261 Q262 R268 R269V261-I265 HydrophobicContact CG1-CD1 3.98Å; V261-I265 WeakPolarHBondContact O-CG1 3.48Å; V261-I265 PolarHBondContact O-N 2.97Å; Q262-I265 PolarHBondContact O-N 2.74Å; I265-R268 PolarHBondContact O-N 2.95Å; I265-R269 PolarHBondContact O-N 2.95Å
266Q44.9Very low40.2Very low103 Ų103109.5 Ų109.548%0.48152%0.516SS..Hα-helixtrans-65.4-46.2175.8-165.5119.8-25.500111.4Q262 D263 R268 R269 E270Q262-Q266 WeakPolarHBondContact O-CB 3.44Å; Q262-Q266 PolarHBondContact O-N 3.29Å; D263-Q266 PolarHBondContact O-N 3.49Å; Q266-R268 VanDerWaalsContact C-N 3.3Å; Q266-R268 PolarHBondContact O-N 3.34Å; Q266-R269 WeakPolarHBondContact O-CB 3.39Å; Q266-R269 PolarHBondContact O-N 3.4Å; Q266-R269 VanDerWaalsContact O-N 3.15Å; Q266-E270 PolarHBondContact O-N 2.82Å
267Q44.7Very low39.7Very low101 Ų101110 Ų11047%0.47252%0.519SS..Hα-helixtrans-61.1-36.2172.6-84.9-171.1-0.400112.6D263 E270 R271D263-Q267 WeakPolarHBondContact O-CB 3.48Å; D263-Q267 PolarHBondContact O-N 2.95Å; Q267-E270 PolarHBondContact O-N 3.33Å; Q267-R271 WeakPolarHBondContact O-CB 3.42Å; Q267-R271 WeakPolarHBondContact O-CG 2.96Å; Q267-R271 PolarHBondContact O-N 3.44Å
268R42Very low39.2Very low200 Ų200107.5 Ų107.576%0.75551%0.505SS*.Hα-helixtrans-66.4-40.3173.7-117176.4176.8164-0.3112.2N264 I265 Q266 R271 T272N264-R268 WeakPolarHBondContact O-CB 2.97Å; N264-R268 PolarHBondContact O-N 3.48Å; I265-R268 PolarHBondContact O-N 2.95Å; Q266-R268 VanDerWaalsContact C-N 3.3Å; Q266-R268 PolarHBondContact O-N 3.34Å; R268-R271 PolarHBondContact O-N 3.41Å; R268-T272 PolarHBondContact O-N 2.87Å; R268-T272 PolarHBondContact O-OG1 3.14Å
269R42.9Very low39.1Very low112 Ų112110.5 Ų110.542%0.42351%0.513SS..Hα-helixtrans-62.2-42.2172.9-86.1178.9172.4168.7-0.5111.9I265 Q266 T272 N273I265-R269 PolarHBondContact O-N 2.95Å; Q266-R269 WeakPolarHBondContact O-CB 3.39Å; Q266-R269 PolarHBondContact O-N 3.4Å; Q266-R269 VanDerWaalsContact O-N 3.15Å; R269-T272 WeakPolarHBondContact CA-OG1 3.19Å; R269-T272 PolarHBondContact O-N 2.71Å; R269-T272 PolarHBondContact O-OG1 3.46Å; R269-T272 VanDerWaalsContact O-OG1 3.13Å; R269-N273 WeakPolarHBondContact O-CB 3.39Å; R269-N273 PolarHBondContact O-N 3.02Å
270E39.7Very low38.6Very low101 Ų101108.6 Ų108.647%0.47251%0.514SS..Hα-helixtrans-70.2-38.6177.8-73.5-179.9-170.600112.3Q266 Q267 K274Q266-E270 PolarHBondContact O-N 2.82Å; Q267-E270 PolarHBondContact O-N 3.33Å; E270-K274 WeakPolarHBondContact O-CB 3.21Å; E270-K274 WeakPolarHBondContact O-CG 3.22Å; E270-K274 PolarHBondContact O-N 2.89Å
271R34.4Very low38Very low168 Ų168107.5 Ų107.563%0.63451%0.506SS*.Hα-helixtrans-67.4-36.9173.4-75.7180-174173.44.9112.5Q267 R268 N275Q267-R271 WeakPolarHBondContact O-CB 3.42Å; Q267-R271 WeakPolarHBondContact O-CG 2.96Å; Q267-R271 PolarHBondContact O-N 3.44Å; R268-R271 PolarHBondContact O-N 3.41Å; R271-N275 VanDerWaalsContact O-CB 3.24Å; R271-N275 WeakPolarHBondContact O-CB 3.34Å; R271-N275 PolarHBondContact O-N 2.95Å; R271-N275 PolarHBondContact O-ND2 3.32Å
272T39.2Very low37.5Very low85 Ų85108.6 Ų108.652%0.52152%0.515SS..Hα-helixtrans-72.4-39.4175.735.40000112.5R268 R269 Y276R268-T272 PolarHBondContact O-N 2.87Å; R268-T272 PolarHBondContact O-OG1 3.14Å; R269-T272 WeakPolarHBondContact CA-OG1 3.19Å; R269-T272 PolarHBondContact O-N 2.71Å; R269-T272 PolarHBondContact O-OG1 3.46Å; R269-T272 VanDerWaalsContact O-OG1 3.13Å; T272-Y276 WeakPolarHBondContact O-CB 3.44Å; T272-Y276 PolarHBondContact O-N 3.01Å; T272-Y276 VanDerWaalsContact O-N 3.1Å
273N34.3Very low37.1Very low118 Ų118105.5 Ų105.563%0.63151%0.507SS*.Hα-helixtrans-71.8-37.3174.1-85.2-18.5000113.1R269 Y276 C277R269-N273 WeakPolarHBondContact O-CB 3.39Å; R269-N273 PolarHBondContact O-N 3.02Å; N273-Y276 PolarHBondContact O-N 3.32Å; N273-C277 PolarHBondContact O-N 3.42Å
274K31.8Very low36.5Very low125 Ų125109.6 Ų109.654%0.54352%0.517SS..Hα-helixtrans-66.4-46172.2-81.7176.5172.61700110.7E270 Y276 C277 Y278E270-K274 WeakPolarHBondContact O-CB 3.21Å; E270-K274 WeakPolarHBondContact O-CG 3.22Å; E270-K274 PolarHBondContact O-N 2.89Å; K274-Y276 PolarHBondContact O-N 3.17Å; K274-Y276 VanDerWaalsContact O-N 3.15Å; K274-C277 PolarHBondContact O-N 2.97Å; K274-C277 VanDerWaalsContact O-N 3.1Å; K274-Y278 HydrophobicContact CB-CD2 4.33Å; K274-Y278 HydrophobicContact CB-CE2 4.36Å; K274-Y278 HydrophobicContact CG-CE2 4.4Å; K274-Y278 WeakPolarHBondContact O-CB 3.45Å; K274-Y278 WeakPolarHBondContact O-CD2 3.13Å; K274-Y278 PolarHBondContact O-N 2.98Å
275N33.1Very low35.9Very low112 Ų112110.1 Ų110.160%0.59952%0.52SS*.Hα-helixtrans-64.1-23.9176.1-72.6-11.5000113.3R271 E279R271-N275 VanDerWaalsContact O-CB 3.24Å; R271-N275 WeakPolarHBondContact O-CB 3.34Å; R271-N275 PolarHBondContact O-N 2.95Å; R271-N275 PolarHBondContact O-ND2 3.32Å; N275-E279 PolarHBondContact O-N 3.31Å
276Y32.9Very low35.5Very low119 Ų119113.6 Ų113.647%0.46753%0.533SS..Hα-helixtrans-74.3-25.6174.8-122.2-99.9000114.4T272 N273 K274 M721T272-Y276 WeakPolarHBondContact O-CB 3.44Å; T272-Y276 PolarHBondContact O-N 3.01Å; T272-Y276 VanDerWaalsContact O-N 3.1Å; N273-Y276 PolarHBondContact O-N 3.32Å; K274-Y276 PolarHBondContact O-N 3.17Å; K274-Y276 VanDerWaalsContact O-N 3.15Å; Y276-M721 HydrophobicContact CE2-SD 3.93Å; Y276-M721 VanDerWaalsContact OH-CG 3.23Å; Y276-M721 WeakPolarHBondContact OH-CG 3.43Å; Y276-M721 PolarHBondContact OH-SD 2.95Å
277C29Very low35.1Very low93 Ų93110.3 Ų110.363%0.62852%0.521SS*.Hα-helixtrans-97.6-19174.4-73.10000113.5N273 K274 T280N273-C277 PolarHBondContact O-N 3.42Å; K274-C277 PolarHBondContact O-N 2.97Å; K274-C277 VanDerWaalsContact O-N 3.1Å; C277-T280 PolarHBondContact O-OG1 2.94Å
278Y29.8Very low34.7Very low107 Ų107110.1 Ų110.142%0.4252%0.523SS..Hα-helixtrans-87.8-18.3179-81.2-104.8000113.8K274 T280 R281 S282 P630K274-Y278 HydrophobicContact CB-CD2 4.33Å; K274-Y278 HydrophobicContact CB-CE2 4.36Å; K274-Y278 HydrophobicContact CG-CE2 4.4Å; K274-Y278 WeakPolarHBondContact O-CB 3.45Å; K274-Y278 WeakPolarHBondContact O-CD2 3.13Å; K274-Y278 PolarHBondContact O-N 2.98Å; Y278-T280 PolarHBondContact O-N 3.27Å; Y278-R281 PolarHBondContact O-N 3.03Å; Y278-S282 PolarHBondContact O-N 3.3Å; Y278-P630 PolarHBondContact OH-O 3.01Å
279E33.6Very low34.4Very low114 Ų114105.2 Ų105.253%0.53351%0.512SS..Hα-helixtrans-63.9-25.2172.9-101.6-173.6175.700113.1N275 R281 S283 K725N275-E279 PolarHBondContact O-N 3.31Å; E279-R281 VanDerWaalsContact C-N 3.29Å; E279-R281 PolarHBondContact O-N 3.3Å; E279-S283 PolarHBondContact O-N 3.02Å; E279-K725 IonicContact OE1-NZ 3.97Å; E279-K725 IonicContact OE2-NZ 2.86Å; E279-K725 PolarHBondContact OE2-NZ 2.62Å
280T32.5Very low34.2Very low100 Ų100104.2 Ų104.261%0.61352%0.515SS*.Hα-helixtrans-70.9-20.7172.713.20000113.7C277 Y278C277-T280 PolarHBondContact O-OG1 2.94Å; Y278-T280 PolarHBondContact O-N 3.27Å
281R29.2Very low34Very low119 Ų119104 Ų10445%0.44952%0.516SS..Hα-helixtrans-104.6-29.6178-162.5168.6-175.8138.4-1.5112.6Y278 E279 S283 Y284 N285Y278-R281 PolarHBondContact O-N 3.03Å; E279-R281 VanDerWaalsContact C-N 3.29Å; E279-R281 PolarHBondContact O-N 3.3Å; R281-S283 VanDerWaalsContact C-N 3.33Å; R281-S283 PolarHBondContact O-N 3.28Å; R281-Y284 WeakPolarHBondContact O-CB 3.35Å; R281-Y284 PolarHBondContact O-N 3.27Å; R281-Y284 VanDerWaalsContact O-N 3.09Å; R281-N285 PolarHBondContact O-N 3.46Å
282S34.4Very low34.1Very low69 Ų69100.3 Ų100.348%0.48351%0.508SS..Hα-helixtrans-66.6-30172.6176.80000112.8Y278 Y284 K286Y278-S282 PolarHBondContact O-N 3.3Å; S282-Y284 PolarHBondContact O-N 3.13Å; S282-K286 WeakPolarHBondContact O-CB 3.41Å; S282-K286 PolarHBondContact O-N 3.47Å
283S35.1Very low33.9Very low58 Ų58101.4 Ų101.441%0.40651%0.51SS..Hα-helixtrans-72.9-11.4170.7-73.10000114.8E279 R281 R799E279-S283 PolarHBondContact O-N 3.02Å; R281-S283 VanDerWaalsContact C-N 3.33Å; R281-S283 PolarHBondContact O-N 3.28Å; S283-R799 PolarHBondContact O-NH2 3.5Å
284Y31.8Very low33.7Very low176 Ų17698.5 Ų98.569%0.6950%0.499SS*.Hα-helixtrans-96.6-36.3175.3-156.5-91.2000111.1R281 S282 S287R281-Y284 WeakPolarHBondContact O-CB 3.35Å; R281-Y284 PolarHBondContact O-N 3.27Å; R281-Y284 VanDerWaalsContact O-N 3.09Å; S282-Y284 PolarHBondContact O-N 3.13Å; Y284-S287 PolarHBondContact O-OG 3.28Å
285N32.1Very low33.7Very low80 Ų8099.3 Ų99.343%0.42851%0.509SS..Hα-helixtrans-78.1-31.3174.1-70.8-2.4000112.7R281 S287 L288 D289R281-N285 PolarHBondContact O-N 3.46Å; N285-S287 PolarHBondContact O-N 3.1Å; N285-L288 CarbonylContact O-C 3.45Å; N285-L288 WeakPolarHBondContact O-CA 3.46Å; N285-L288 WeakPolarHBondContact O-CB 3.36Å; N285-L288 PolarHBondContact O-N 3.34Å; N285-D289 PolarHBondContact O-N 2.99Å
286K37.8Very low33.6Very low126 Ų12699.8 Ų99.855%0.54851%0.511SS..Hα-helixtrans-66.7-27.3174.2-158.7167.6-168.5171.30112.3S282 L288 D290S282-K286 WeakPolarHBondContact O-CB 3.41Å; S282-K286 PolarHBondContact O-N 3.47Å; K286-L288 VanDerWaalsContact C-N 3.31Å; K286-D290 WeakPolarHBondContact O-CB 3.16Å; K286-D290 PolarHBondContact O-N 3.41Å
287S37.7Very low33.5Very low33 Ų3399.8 Ų99.823%0.23152%0.524CS..Hα-helixtrans-76.6-16.2168.753.40000113.8Y284 N285 I291Y284-S287 PolarHBondContact O-OG 3.28Å; N285-S287 PolarHBondContact O-N 3.1Å; S287-I291 WeakPolarHBondContact O-CD1 3.45Å; S287-I291 WeakPolarHBondContact O-CG1 3.26Å
288L35.7Very low33.7Very low98 Ų98100 Ų10051%0.51353%0.526SS..Hα-helixtrans-86.4-37.8173-154.673.7000110.5N285 K286 I291 I292N285-L288 CarbonylContact O-C 3.45Å; N285-L288 WeakPolarHBondContact O-CA 3.46Å; N285-L288 WeakPolarHBondContact O-CB 3.36Å; N285-L288 PolarHBondContact O-N 3.34Å; K286-L288 VanDerWaalsContact C-N 3.31Å; L288-I291 PolarHBondContact O-N 3.01Å; L288-I292 WeakPolarHBondContact O-CG1 3.07Å; L288-I292 PolarHBondContact O-N 3.12Å
289D36Very low33.6Very low97 Ų97101.7 Ų101.752%0.51954%0.542SS..Hα-helixtrans-65.7-38.8172.3-64.8-31.5000111.4N285 I291 I292 D293N285-D289 PolarHBondContact O-N 2.99Å; D289-I291 PolarHBondContact O-N 3.38Å; D289-I292 PolarHBondContact O-N 3.16Å; D289-D293 PolarHBondContact O-N 3.45Å
290D37.3Very low33.3Very low90 Ų90107.9 Ų107.948%0.48156%0.561SS.*Hα-helixtrans-66.9-19.7173.3-68.7-20.3000113K286 C294K286-D290 WeakPolarHBondContact O-CB 3.16Å; K286-D290 PolarHBondContact O-N 3.41Å; D290-C294 PolarHBondContact O-SG 3.03Å
291I36.7Very low32.9Very low98 Ų98113.3 Ų113.350%0.50358%0.576SS.*Hα-helixtrans-87.1-31.4174.8-71.2168.5000111S287 L288 D289S287-I291 WeakPolarHBondContact O-CD1 3.45Å; S287-I291 WeakPolarHBondContact O-CG1 3.26Å; L288-I291 PolarHBondContact O-N 3.01Å; D289-I291 PolarHBondContact O-N 3.38Å
292I36.4Very low32.7Very low89 Ų89112.5 Ų112.546%0.45659%0.589SS.*Hα-helixtrans-77.4-36176.5-66.7167.2000111.1L288 D289 C294 N295 L296L288-I292 WeakPolarHBondContact O-CG1 3.07Å; L288-I292 PolarHBondContact O-N 3.12Å; D289-I292 PolarHBondContact O-N 3.16Å; I292-C294 VanDerWaalsContact C-N 3.25Å; I292-C294 PolarHBondContact O-N 2.74Å; I292-N295 PolarHBondContact O-N 2.86Å; I292-L296 HydrophobicContact CG2-CD1 4.09Å; I292-L296 PolarHBondContact O-N 3.44Å
293D34.2Very low32.2Very low108 Ų108118.7 Ų118.758%0.57861%0.607SS**Hα-helixtrans-66.5-24.5175.4-102.1-10.2000113.1D289 T297D289-D293 PolarHBondContact O-N 3.45Å; D293-T297 WeakPolarHBondContact O-CG2 3.44Å; D293-T297 PolarHBondContact O-OG1 2.86Å
294C29.9Very low31.6Very low58 Ų58126.2 Ų126.239%0.39263%0.628SS.*Hα-helixtrans-78.6-17.1175.9-69.80000114D290 I292 K807D290-C294 PolarHBondContact O-SG 3.03Å; I292-C294 VanDerWaalsContact C-N 3.25Å; I292-C294 PolarHBondContact O-N 2.74Å; C294-K807 PolarHBondContact SG-NZ 2.64Å
295N32.4Very low31.4Very low141 Ų141123.3 Ų123.375%0.75462%0.624SS**Hα-helixtrans-94.9-7.4176.1-80.8-18.8000113.2I292I292-N295 PolarHBondContact O-N 2.86Å
296L31Very low31.1Very low123 Ų123128.1 Ų128.164%0.64464%0.644SS**Hα-helixtrans-103.5-9.7178.4-85.6151.8000113.9I292I292-L296 HydrophobicContact CG2-CD1 4.09Å; I292-L296 PolarHBondContact O-N 3.44Å
297T31.2Very low30.6Very low119 Ų119128.9 Ų128.973%0.7365%0.654SS**THydrogen-bonded Turntrans-90.35.2-178.646.50000115.4D293D293-T297 WeakPolarHBondContact O-CG2 3.44Å; D293-T297 PolarHBondContact O-OG1 2.86Å
298S32.1Very low30.2Very low98 Ų98136.9 Ų136.969%0.68569%0.688SS**THydrogen-bonded Turntrans-99.6-8179.4-170.50000115.1
299N28.3Very low29.8Very low141 Ų141140.9 Ų140.975%0.75470%0.704SS**SBendtrans-158.289.7-176.4-92.1-35.2000111.8
300R27.3Very low29.3Very low244 Ų244143.8 Ų143.892%0.92172%0.72SS**  trans173.784.2145.1-96.2166.6-165.8-159.65.1111.2
301K23.8Very low28.7Very low214 Ų214147.3 Ų147.393%0.9374%0.738SS**  trans-73.1110144.5-78.4177.7176175.20106.7
302S24.6Very low28.3Very low103 Ų103149.2 Ų149.272%0.7275%0.748SS**  trans164131.2145.849.50000113.4
303K24Very low27.7Very low198 Ų198151.4 Ų151.486%0.86177%0.766SS**  trans38.5113.3145.2-77.3178.5170.3176.50119.9
304Y24.1Very low27.4Very low217 Ų217151.7 Ų151.785%0.85177%0.771SS**  trans162.1140.2136.9-115.2-121.3000108.5
305N27.1Very low27.3Very low115 Ų115155.3 Ų155.362%0.61579%0.792SS**  cis-162.6154.8-3.3-146.3-1.4000108.8
306Q25.8Very low27Very low180 Ų180151.8 Ų151.884%0.84179%0.788SS**  trans-106.942.3-154.7-154.3168.5-000113.9
307N26.2Very low26.8Very low142 Ų142153.1 Ų153.176%0.75980%0.796SS**  trans-128.885.6-172.6-78.4-17.7000113.1
308Q30.4Very low26.7Very low201 Ų201155.3 Ų155.394%0.93980%0.804SS**  trans-165.722.4148.8-112.6173.714.400114.6
309Q26.7Very low26.3Very low182 Ų182157.3 Ų157.385%0.8580%0.802SS**  trans-92.999.3161.2-84171.2-27.700107.8
310N26.7Very low26.2Very low159 Ų159160 Ų16085%0.8580%0.802SS**  trans174.792.7153.7-87.9-21.3000109.2
311L24.8Very low26.1Very low163 Ų163155.4 Ų155.485%0.85380%0.795SS**SBendtrans-158.599.9133.7-137.574.7000111.1
312L26.7Very low26.2Very low138 Ų138153.7 Ų153.772%0.72380%0.795SS**  trans84.181.9145-67.8157.5000119.8V314L312-V314 HydrophobicContact CD2-CG2 4.27Å
313T24.1Very low26.3Very low136 Ų136158.1 Ų158.183%0.83480%0.802SS**  -51.3124.4127.5360000112.3
314V27.2Very low26.3Very low114 Ų114152.1 Ų152.169%0.69180%0.796SS**  trans-149.6105.7145.2176.40000109.3L312L312-V314 HydrophobicContact CD2-CG2 4.27Å
315T29.1Very low26.6Very low134 Ų134148.5 Ų148.582%0.82279%0.792SS**  trans54128.2148.262.20000121.7
316G25.7Very low26.4Very low66 Ų66153.1 Ų153.168%0.6880%0.802SS**  trans-72.9-173.7172.700000114.7
317D26.1Very low26.6Very low152 Ų152149.2 Ų149.281%0.81379%0.792SS**  trans71.985.1171.8-54-25.3000115.9
318N29.4Very low26.6Very low165 Ų165150.3 Ų150.388%0.88280%0.797SS**  -171142106.6-96.2-45000113.8
319Q25Very low26.4Very low140 Ų140146.8 Ų146.865%0.65478%0.784SS**  trans-69.6158.7-170.3-63.4-179.1-15.500114
320R24.5Very low26.2Very low198 Ų198147.3 Ų147.375%0.74778%0.784SS**  trans89117.6148.7-70.4156.1-151.9-153.48.7118.1
321N25.7Very low26.2Very low147 Ų147143.9 Ų143.979%0.78677%0.771SS**  trans91.8125.2151-56.4-30.8000117.1
322L26.7Very low26.2Very low177 Ų177144.7 Ų144.793%0.92777%0.77SS**  trans95.668.4173.7-60.9139.6000117.2
323K25.5Very low26.4Very low196 Ų196145.9 Ų145.985%0.85277%0.77SS**  trans-106.492.5153-92.2-175.7177.1175.60110.2
324G25.6Very low26.4Very low73 Ų73148.5 Ų148.575%0.75377%0.772SS**  trans-91.994.8158.400000109.1
325N29.2Very low26.5Very low140 Ų140153.4 Ų153.475%0.74978%0.78SS**  trans-77.6120.5179.2-89.9-10.2000111.4
326Y24.5Very low26.2Very low212 Ų212149.6 Ų149.683%0.83177%0.767SS**  trans-94.7115.6154-76.7-89000108.5
327P29.5Very low26.3Very low99 Ų99151.7 Ų151.764%0.64377%0.771SS**  trans-85117173.830.1-27.9000110.7N329P327-N329 PolarHBondContact O-N 2.91Å; P327-N329 VanDerWaalsContact O-N 3.13Å
328I24.9Very low26.3Very low165 Ų165150.3 Ų150.385%0.84676%0.76SS**  trans-73.591.7163.5-61.9171.7000106.9K330I328-K330 PolarHBondContact O-N 3.44Å
329N26.7Very low26.1Very low127 Ų127149.3 Ų149.368%0.67976%0.76SS**  trans-82.2100178.1-83.4-9.1000111.4P327 C331P327-N329 PolarHBondContact O-N 2.91Å; P327-N329 VanDerWaalsContact O-N 3.13Å; N329-C331 PolarHBondContact O-N 3.37Å
330K23.7Very low26.1Very low193 Ų193147.8 Ų147.884%0.83977%0.765SS**  trans-87.583.1163-162.1179.3-172-177.50107.7I328 H332I328-K330 PolarHBondContact O-N 3.44Å; K330-H332 PolarHBondContact O-N 3.23Å
331C26.5Very low26Very low86 Ų86141.7 Ų141.758%0.58176%0.763SS**  trans-83.7103.3178.9-660000111N329 F333N329-C331 PolarHBondContact O-N 3.37Å; C331-F333 HydrophobicContact CB-CD2 4.16Å; C331-F333 HydrophobicContact CB-CE2 4.16Å
332H24.3Very low25.9Very low181 Ų181141 Ų14184%0.83877%0.769SS**  trans-62.8127.2149.5-95.9-112.9000108K330K330-H332 PolarHBondContact O-N 3.23Å
333F30.2Very low25.8Very low163 Ų163137.3 Ų137.372%0.71576%0.758SS**  trans-105.2104.6174.1-103.8-86.6000109.8C331 Y335C331-F333 HydrophobicContact CB-CD2 4.16Å; C331-F333 HydrophobicContact CB-CE2 4.16Å; F333-Y335 HydrophobicContact CD1-CE2 4.45Å
334E25Very low25.9Very low190 Ų190133 Ų13389%0.88875%0.748SS**  trans-70.4139.4154.6-81.3175138.900109.3
335Y28.4Very low25.8Very low218 Ų218139.1 Ų139.186%0.85575%0.754SS**  trans-121111.2176.5-102.9-86.6000108.3F333F333-Y335 HydrophobicContact CD1-CE2 4.45Å
336G24.2Very low25.6Very low54 Ų54140.5 Ų140.556%0.55775%0.75SS**  trans178.6142.4172.700000111.2
337S26.5Very low25.8Very low109 Ų109136.4 Ų136.476%0.76275%0.75SS**  trans74.8108.3-179.981.60000115.6
338E25.5Very low25.6Very low124 Ų124137.8 Ų137.858%0.57976%0.756SS**  81.8120.288.6-75.5172.3-166.700112.8R43 S340R43-E338 IonicContact NH1-OE1 3.7Å; R43-E338 PolarHBondContact NH1-OE1 2.89Å; E338-S340 PolarHBondContact O-N 2.98Å; E338-S340 PolarHBondContact O-OG 3.48Å
339T25.9Very low25.8Very low144 Ų144137.1 Ų137.188%0.88376%0.755SS**  trans14.380.8147.4510000116.1
340S25.5Very low25.8Very low107 Ų107138 Ų13875%0.74876%0.76SS**  trans-160.8136.4159.851.10000108.6E338 C342E338-S340 PolarHBondContact O-N 2.98Å; E338-S340 PolarHBondContact O-OG 3.48Å; S340-C342 PolarHBondContact O-N 3.49Å
341G22.6Very low26.3Very low70 Ų70136.2 Ų136.272%0.72276%0.759SS**  trans-57.8130.9-17500000111.5S343G341-S343 PolarHBondContact O-N 1.99Å
342C23.4Very low26.4Very low133 Ų133135.6 Ų135.690%0.89976%0.755SS**  trans-73.385.5163-115.40000107.9S340 T344S340-C342 PolarHBondContact O-N 3.49Å; C342-T344 VanDerWaalsContact C-N 3.32Å; C342-T344 PolarHBondContact O-N 2.81Å
343S24.1Very low26.7Very low99 Ų99133.4 Ų133.469%0.69276%0.755SS**  trans-61.796.5158.135.80000107.6G341 F345G341-S343 PolarHBondContact O-N 1.99Å; S343-F345 PolarHBondContact O-N 2.79Å
344T27.6Very low26.8Very low106 Ų106133.2 Ų133.265%0.6576%0.757SS**  trans-64.6107.9157.54.80000105.7C342 Y346C342-T344 VanDerWaalsContact C-N 3.32Å; C342-T344 PolarHBondContact O-N 2.81Å; T344-Y346 VanDerWaalsContact C-N 3.32Å; T344-Y346 VanDerWaalsContact O-CD2 3.32Å; T344-Y346 WeakPolarHBondContact O-CD2 3.48Å; T344-Y346 PolarHBondContact O-N 3.06Å
345F24.1Very low27.1Very low202 Ų202127.1 Ų127.189%0.88674%0.735SS**  trans-57.196.4171.7-108.7-98000108.3S343S343-F345 PolarHBondContact O-N 2.79Å
346Y25.5Very low27.3Very low168 Ų168125 Ų12566%0.65973%0.73SS**  trans-88.3141.7158.5-72.8-83.8000107.2T344 T348T344-Y346 VanDerWaalsContact C-N 3.32Å; T344-Y346 VanDerWaalsContact O-CD2 3.32Å; T344-Y346 WeakPolarHBondContact O-CD2 3.48Å; T344-Y346 PolarHBondContact O-N 3.06Å; Y346-T348 PolarHBondContact O-N 3.15Å
347P27.1Very low27.7Very low126 Ų126127.2 Ų127.282%0.81873%0.733SS**  trans-56.5119.3174.4-11.724.4000107.9N349P347-N349 PolarHBondContact O-N 2.98Å
348T26.2Very low28Very low128 Ų128128.4 Ų128.479%0.78573%0.726SS**  trans-65.8103.7178.846.30000109.1Y346Y346-T348 PolarHBondContact O-N 3.15Å
349N28.8Very low28.4Very low152 Ų152127.5 Ų127.581%0.81373%0.725SS**  trans-111.9120.5149-108.6-4.7000107P347 N351P347-N349 PolarHBondContact O-N 2.98Å; N349-N351 PolarHBondContact O-N 3.31Å
350N27.5Very low28.8Very low146 Ų146123.9 Ų123.978%0.78171%0.706SS**SBendtrans-53.5115.7-178.3-65.6-25.2000110
351N32.7Very low29Very low154 Ų154121.1 Ų121.182%0.82469%0.686SS**  trans168.617.7159.4-85.3-8.9000114N349N349-N351 PolarHBondContact O-N 3.31Å
352S29.4Very low29.6Very low73 Ų73122.4 Ų122.451%0.5168%0.676SS.*THydrogen-bonded Turntrans-106.425-157.962.80000118.6S355S352-S355 WeakPolarHBondContact CA-OG 3.18Å; S352-S355 WeakPolarHBondContact CB-OG 3.26Å
353T31.2Very low30.4Very low135 Ų135120.9 Ų120.983%0.82866%0.657SS**THydrogen-bonded Turntrans-75.2-23.9170.33.10000113
354E32.2Very low31.1Very low160 Ų160122.9 Ų122.975%0.74866%0.656SS**SBendtrans-82.7-14.1172.6-84.7-177.8136.500114.2T357E354-T357 PolarHBondContact O-OG1 3.29Å
355S30.7Very low31.4Very low61 Ų61125.4 Ų125.443%0.42766%0.658SS.*Hα-helixtrans-81.3-22.5-173.9-32.50000113.6S352 L359S352-S355 WeakPolarHBondContact CA-OG 3.18Å; S352-S355 WeakPolarHBondContact CB-OG 3.26Å; S355-L359 PolarHBondContact O-N 3.16Å
356K32Very low31.9Very low174 Ų174119.4 Ų119.476%0.75764%0.641SS**Hα-helixtrans-75.2-29-176.2-74.2-179.4178.2174.50113.2
357T34.1Very low32.5Very low100 Ų100118.8 Ų118.861%0.61364%0.644SS**Hα-helixtrans-83.4-29.1175.921.60000112.7E354 S360E354-T357 PolarHBondContact O-OG1 3.29Å; T357-S360 PolarHBondContact O-OG 2.96Å; T357-S360 VanDerWaalsContact O-OG 3.13Å
358Q31.1Very low32.8Very low134 Ų134119.4 Ų119.463%0.62664%0.639SS**Hα-helixtrans-72.4-37173.6-74-165.2-4.900112.5S361 I362Q358-S361 PolarHBondContact O-N 2.96Å; Q358-S361 PolarHBondContact O-OG 3.18Å; Q358-I362 WeakPolarHBondContact O-CD1 3.29Å; Q358-I362 VanDerWaalsContact O-CG1 3.26Å; Q358-I362 WeakPolarHBondContact O-CG1 3.23Å; Q358-I362 PolarHBondContact O-N 3.27Å; Q358-I362 VanDerWaalsContact O-N 3.09Å
359L34.1Very low32.9Very low105 Ų105120.3 Ų120.355%0.5564%0.639SS.*Hα-helixtrans-71.4-34-175.9-147.976.7000113.6S355 I362 I363S355-L359 PolarHBondContact O-N 3.16Å; L359-I362 PolarHBondContact O-N 2.95Å; L359-I363 WeakPolarHBondContact O-CD1 3.18Å; L359-I363 VanDerWaalsContact O-CG1 3.29Å; L359-I363 WeakPolarHBondContact O-CG1 3.48Å; L359-I363 PolarHBondContact O-N 2.82Å
360S34.1Very low32.9Very low69 Ų69117.7 Ų117.748%0.48363%0.63SS.*Hα-helixtrans-67.1-38.8172.552.90000111.8T357 I362 I363 E364T357-S360 PolarHBondContact O-OG 2.96Å; T357-S360 VanDerWaalsContact O-OG 3.13Å; S360-I362 VanDerWaalsContact C-N 3.34Å; S360-I362 PolarHBondContact O-N 3.44Å; S360-I363 PolarHBondContact O-N 3.49Å; S360-E364 PolarHBondContact O-N 3.04Å; S360-E364 VanDerWaalsContact O-N 3.12Å
361S29.9Very low32.9Very low48 Ų48118.3 Ų118.334%0.33663%0.633SS.*Hα-helixtrans-67.8-29.9176.780.20000113.5Q358 K365Q358-S361 PolarHBondContact O-N 2.96Å; Q358-S361 PolarHBondContact O-OG 3.18Å; S361-K365 WeakPolarHBondContact O-CB 3.36Å; S361-K365 WeakPolarHBondContact O-CG 3.32Å; S361-K365 PolarHBondContact O-N 3.49Å
362I36.5Very low32.6Very low98 Ų98116.7 Ų116.750%0.50363%0.629SS.*Hα-helixtrans-76.6-34.8176.8-67.4164.3000111.2Q358 L359 S360 E364 S366Q358-I362 WeakPolarHBondContact O-CD1 3.29Å; Q358-I362 VanDerWaalsContact O-CG1 3.26Å; Q358-I362 WeakPolarHBondContact O-CG1 3.23Å; Q358-I362 PolarHBondContact O-N 3.27Å; Q358-I362 VanDerWaalsContact O-N 3.09Å; L359-I362 PolarHBondContact O-N 2.95Å; S360-I362 VanDerWaalsContact C-N 3.34Å; S360-I362 PolarHBondContact O-N 3.44Å; I362-E364 VanDerWaalsContact C-N 3.31Å; I362-S366 VanDerWaalsContact O-CB 3.32Å; I362-S366 WeakPolarHBondContact O-CB 3.34Å; I362-S366 PolarHBondContact O-N 3.28Å; I362-S366 PolarHBondContact O-OG 3.15Å
363I39.8Very low32.5Very low100 Ų100120.9 Ų120.951%0.51365%0.646SS.*Hα-helixtrans-67.9-34.7173.9-67.2166.3000110.7L359 S360 S366L359-I363 WeakPolarHBondContact O-CD1 3.18Å; L359-I363 VanDerWaalsContact O-CG1 3.29Å; L359-I363 WeakPolarHBondContact O-CG1 3.48Å; L359-I363 PolarHBondContact O-N 2.82Å; S360-I363 PolarHBondContact O-N 3.49Å; I363-S366 PolarHBondContact O-OG 3.38Å
364E37.9Very low32.3Very low142 Ų142123 Ų12366%0.66465%0.651SS**Hα-helixtrans-75.2-37.4177.4-153.3165.8-155.700112.4S360 I362S360-E364 PolarHBondContact O-N 3.04Å; S360-E364 VanDerWaalsContact O-N 3.12Å; I362-E364 VanDerWaalsContact C-N 3.31Å
365K35.2Very low32.1Very low158 Ų158120.7 Ų120.769%0.68765%0.653SS**Hα-helixtrans-75.3-29.1175.9-77.2-179.9177.3178.10114.4S361 Q367 L368S361-K365 WeakPolarHBondContact O-CB 3.36Å; S361-K365 WeakPolarHBondContact O-CG 3.32Å; S361-K365 PolarHBondContact O-N 3.49Å; K365-Q367 VanDerWaalsContact C-N 3.28Å; K365-Q367 PolarHBondContact O-N 3.47Å; K365-L368 PolarHBondContact O-N 3Å
366S34.5Very low31.9Very low76 Ų76127.8 Ų127.853%0.53168%0.676SS.*Hα-helixtrans-74.5-14.9178.955.80000114I362 I363I362-S366 VanDerWaalsContact O-CB 3.32Å; I362-S366 WeakPolarHBondContact O-CB 3.34Å; I362-S366 PolarHBondContact O-N 3.28Å; I362-S366 PolarHBondContact O-OG 3.15Å; I363-S366 PolarHBondContact O-OG 3.38Å
367Q36.8Very low31.6Very low156 Ų156128.4 Ų128.473%0.72968%0.679SS**THydrogen-bonded Turntrans-89.5-5.5174.5-66.4-169.9-14.200113.9K365K365-Q367 VanDerWaalsContact C-N 3.28Å; K365-Q367 PolarHBondContact O-N 3.47Å
368L33.5Very low31.3Very low138 Ų138133.3 Ų133.372%0.72369%0.687SS**  trans-1176.4-172-91.3156.7000115.4K365 P370K365-L368 PolarHBondContact O-N 3Å; L368-P370 VanDerWaalsContact O-CD 3.28Å; L368-P370 WeakPolarHBondContact O-CD 3.47Å
369L29.2Very low31.2Very low148 Ų148134.8 Ų134.878%0.77570%0.695SS**  trans-74.4116.4178.1-95.1144.2000111.9
370P28.5Very low30.9Very low97 Ų97137.5 Ų137.563%0.6371%0.71SS**  trans-78.8151.2-177.732.2-31.5000111.7L368 T372L368-P370 VanDerWaalsContact O-CD 3.28Å; L368-P370 WeakPolarHBondContact O-CD 3.47Å; P370-T372 PolarHBondContact O-N 3.47Å; P370-T372 PolarHBondContact O-OG1 2.94Å
371N27.3Very low30.7Very low158 Ų158139.8 Ų139.885%0.84573%0.725SS**  trans-50.6108.4172.5-66.6-44.9000111.4
372T27.1Very low30.5Very low121 Ų121144.9 Ų144.974%0.74275%0.749SS**  trans-14191.116432.80000108.3P370P370-T372 PolarHBondContact O-N 3.47Å; P370-T372 PolarHBondContact O-OG1 2.94Å
373D26.9Very low30.1Very low161 Ų161148.1 Ų148.186%0.86177%0.766SS**  trans-170.773.9155.2-104.1-22000108
374L27.6Very low29.5Very low178 Ų178153 Ų15393%0.93278%0.783SS**SBendtrans-15647.4173-114.2159.2000110.5
375S27Very low29Very low113 Ų113153.8 Ų153.879%0.7979%0.79SS**  trans-168.174.9162.6630000111.8
376K27Very low28.8Very low210 Ų210152 Ų15291%0.91379%0.794SS**  trans-125.475.8158.2-93.8-173.8176.6176.60108.4
377K25.3Very low28.4Very low186 Ų186157.5 Ų157.581%0.80981%0.809SS**  trans-169.3132.8162-120.3-179.6178-175.10106.4
378Y27.8Very low28Very low203 Ų203157.8 Ų157.880%0.79682%0.815SS**  trans76.9125.5-167.2-60-85.9000112.4
379E29.9Very low27.8Very low166 Ų166160.4 Ų160.478%0.77682%0.824SS**  cis-165.7145.12.6-137.5156.9-171.400106.4S381E379-S381 PolarHBondContact O-N 2.7Å
380D26.7Very low27.6Very low162 Ų162158.6 Ų158.687%0.86682%0.823SS**  trans-59.9127.1168.4-75.4-49.9000110.2
381S30.2Very low27.6Very low116 Ų116161.6 Ų161.681%0.81183%0.834SS**  trans174.9128.8132.936.60000110.8E379E379-S381 PolarHBondContact O-N 2.7Å
382N26Very low27.7Very low156 Ų156158.2 Ų158.283%0.83482%0.822SS**  trans-55.7143.9177.2-63.2-62.5000112.4
383I27.9Very low27.5Very low166 Ų166157.8 Ų157.885%0.85182%0.824SS**  -170124.4126.7-88.3144.5000108.1
384K27.5Very low27.6Very low202 Ų202158.3 Ų158.388%0.87883%0.825SS**  trans-86.2135.4172.6-76.6172.9173176.10109.4
385I28.1Very low27.5Very low159 Ų159154.2 Ų154.282%0.81581%0.811SS**  trans-143.4136.9145.4-57-176000108.7
386P29.4Very low27.3Very low119 Ų119155.9 Ų155.977%0.77381%0.812SS**  trans-100.4173.8-166.315.76.7000115.2
387K26.9Very low27.6Very low193 Ų193155.3 Ų155.384%0.83981%0.812SS**  trans-55145.9179.9-60.1169.7176176.70114.6
388D28.1Very low27.7Very low161 Ų161153.2 Ų153.286%0.86181%0.81SS**  -174.8166.8125.1-87.3-23.5000110.9
389E30.3Very low27.7Very low194 Ų194152.8 Ų152.891%0.90781%0.812SS**  trans102.397.7172-61.6-170.6154.500119.2
390S24.1Very low27.6Very low109 Ų109150.2 Ų150.276%0.76281%0.812SS**  trans-60.2141.9153.549.10000113.7
391L28.8Very low27.6Very low161 Ų161149.2 Ų149.284%0.84381%0.807SS**  trans-160119.2143.7-136.578.7000112.9
392S28.8Very low27.5Very low86 Ų86148.9 Ų148.960%0.60180%0.802SS**  trans40.3119.4136.766.80000122.9
393S23.9Very low27.5Very low112 Ų112146.4 Ų146.478%0.78380%0.796SS**  23.2118.4126.960.10000120.5
394I27.5Very low27.5Very low172 Ų172143.9 Ų143.988%0.88279%0.789SS**  trans-137.4119.4145.7-63.2-178.3000108.2
395S25.8Very low27.5Very low92 Ų92141.2 Ų141.264%0.64378%0.784SS**  trans-81.6155.6170.544.40000111.7
396D24.3Very low27.4Very low149 Ų149142.4 Ų142.480%0.79778%0.783SS**  trans52111.5153.1-56-28.3000119.3
397E31.6Very low27.2Very low197 Ų197147.1 Ų147.192%0.92179%0.787SS**  trans-145.7133.2141-115.8-178.9-17600112.3
398N27.3Very low27.5Very low143 Ų143143.7 Ų143.777%0.76578%0.782SS**  trans-69139.3-171.2-65.6-62.8000112.7
399F29.5Very low27.6Very low194 Ų194141.1 Ų141.185%0.85177%0.774SS**  trans-119.482.2160.4-128.7-90.3000109.6L401F399-L401 HydrophobicContact CD1-CD1 4.47Å; F399-L401 HydrophobicContact CD1-CG 4.46Å
400S26.6Very low27.3Very low111 Ų111137.1 Ų137.178%0.77677%0.768SS**PPolyproline II helixtrans-83.2118.6165.5280000109.2
401L27.8Very low28.1Very low142 Ų142138.1 Ų138.174%0.74377%0.772SS**PPolyproline II helixtrans-98.5146.6168.3-87.6153.7000109.2F399F399-L401 HydrophobicContact CD1-CD1 4.47Å; F399-L401 HydrophobicContact CD1-CG 4.46Å
402P27Very low28Very low109 Ų109140 Ų14071%0.70877%0.773SS**PPolyproline II helixtrans-76.6139.5-148.929.7-35.6000114V404P402-V404 PolarHBondContact O-N 3.28Å
403S26.4Very low28.3Very low103 Ų103142.7 Ų142.772%0.7279%0.785SS**  trans-68.4114.6164.543.30000110.4N405S403-N405 PolarHBondContact O-N 3.14Å
404V28.5Very low28.8Very low114 Ų114143 Ų14369%0.69179%0.785SS**  trans-84.9102167.91800000107.9P402 F406P402-V404 PolarHBondContact O-N 3.28Å; V404-F406 HydrophobicContact CG1-CD2 3.97Å; V404-F406 HydrophobicContact CG1-CE2 3.83Å
405N26.3Very low28.8Very low145 Ų145142.6 Ų142.678%0.77578%0.783SS**  trans-78.9113170.7-77.6-26.9000109.3S403S403-N405 PolarHBondContact O-N 3.14Å
406F27.5Very low29.2Very low185 Ų185143.7 Ų143.781%0.81179%0.791SS**  trans-86.8110162.6-90.2-87.5000109.1V404V404-F406 HydrophobicContact CG1-CD2 3.97Å; V404-F406 HydrophobicContact CG1-CE2 3.83Å
407Y25Very low29.4Very low218 Ų218141.2 Ų141.286%0.85579%0.785SS**  trans-87.8117.8169.9-143.4-93.3000107.6
408V31.8Very low29.6Very low120 Ų120136.5 Ų136.573%0.72777%0.771SS**  trans-126.7123.3164.6-177.90000107.1
409P30.7Very low29.6Very low107 Ų107136.8 Ų136.870%0.69577%0.771SS**PPolyproline II helixtrans-77.4128.6-173.329.6-30.8000111.2
410S25.1Very low29.8Very low111 Ų111136.7 Ų136.778%0.77677%0.774SS**PPolyproline II helixtrans-87.2130.8164.7-58.10000110.4
411P39.3Very low29.9Very low129 Ų129138 Ų13884%0.83877%0.772SS**PPolyproline II helixtrans-83.5119.7159.626.7-18.2000109.6
412K28.3Very low30.1Very low201 Ų201138.7 Ų138.787%0.87478%0.776SS**PPolyproline II helixtrans-77.4128167.9-65.6173.8177177.30109.4
413V34.9Very low30.2Very low142 Ų142141.6 Ų141.686%0.86178%0.78SS**  trans-149.2138.4147.7-177.40000108.3
414P33.1Very low30.2Very low118 Ų118141.5 Ų141.577%0.76678%0.779SS**  trans-93.6161.3-152.935.6-32.9000115.5
415I27.8Very low30.4Very low164 Ų164142.6 Ų142.684%0.84179%0.786SS**  trans-68.2127.8171-63162.5000110.1
416S34Very low30.4Very low116 Ų116140.6 Ų140.681%0.81178%0.784SS**  trans-138.2106.5150.654.20000108.6
417S29.4Very low30.2Very low97 Ų97136.7 Ų136.768%0.67878%0.78SS**  trans-80.8-173.3160.361.50000108.8
418P35Very low30.4Very low97 Ų97136.3 Ų136.363%0.6378%0.783SS**  cis-142.2175.6-3.740.7-21.5000115.6
419I28.7Very low30Very low150 Ų150141 Ų14177%0.76979%0.789SS**  trans57.1116.4144.9-61.5152.2000119.2
420Q33.4Very low30Very low192 Ų192144.3 Ų144.390%0.89780%0.798SS**  -160.1134.5121-111.4174.6-13.300112
421N28.1Very low30.2Very low139 Ų139147.1 Ų147.174%0.74380%0.799SS**  trans-58.2151.5171.3-68.1-30.4000111.1
422D32.2Very low29.7Very low155 Ų155146 Ų14683%0.82980%0.795SS**  -175.3157110.1-90.5-21.7000113.6
423Q29.7Very low29.7Very low171 Ų171143.8 Ų143.880%0.79979%0.792SS**  trans-78.2157.2-160.9-61.3166.1-50.600114
424S26.2Very low29.4Very low100 Ų100145 Ų14570%0.69979%0.794SS**  trans23.6122.7143.763.80000119.1
425T31.2Very low29.3Very low137 Ų137144.5 Ų144.584%0.8479%0.793SS**  176127.3117.9290000112.7
426S26.6Very low29.3Very low103 Ų103141.6 Ų141.672%0.7279%0.788SS**  trans35.5113.4135.8-165.90000120.9
427S24.2Very low29Very low103 Ų103141 Ų14172%0.7278%0.781SS**  trans34.4113131.250000119.7
428K28.5Very low28.9Very low211 Ų211142.3 Ų142.392%0.91778%0.784SS**  trans-167.3139.5132.5-109.4168.2-174.8179.90112.9
429Y24.8Very low28.5Very low219 Ų219148.6 Ų148.686%0.85980%0.796SS**  trans-52.8143.3-179.9-78.9-108.5000115.3
430I30Very low28.5Very low175 Ų175147.1 Ų147.190%0.89779%0.788SS**  trans-138.7131.1141-60.2-176.2000107.7
431E28.8Very low28.3Very low170 Ų170145.6 Ų145.679%0.79478%0.779SS**  trans-98.5162.2-172.1-164171.1-15000111.4
432S28.1Very low28.5Very low106 Ų106145.8 Ų145.874%0.74177%0.773SS**  trans88.990.816777.60000118.5
433D29.7Very low28.8Very low154 Ų154142.7 Ų142.782%0.82476%0.757SS**  trans-150.3102133.7-103.1-24.5000109.3S435D433-S435 PolarHBondContact O-N 3.49Å; D433-S435 VanDerWaalsContact O-N 3.07Å
434N28Very low29.2Very low169 Ų169137.8 Ų137.890%0.90475%0.745SS**  trans-74.585.2176.1-84.8-21.5000109.8
435S31.6Very low29.5Very low107 Ų107135.4 Ų135.475%0.74873%0.728SS**  trans-17749.9164.943.20000113.3D433D433-S435 PolarHBondContact O-N 3.49Å; D433-S435 VanDerWaalsContact O-N 3.07Å
436S26.6Very low29.9Very low103 Ų103137.3 Ų137.372%0.7272%0.721SS**  trans-126.2129173.2-760000111.8V438S436-V438 PolarHBondContact O-N 3.16Å
437P28.8Very low30.4Very low102 Ų102139.7 Ų139.766%0.66273%0.725SS**  trans-63.9124.9-178.126-31.9000109.6W439P437-W439 PolarHBondContact O-N 3.21Å; P437-W439 VanDerWaalsContact O-N 3.09Å
438V26.2Very low31.2Very low125 Ų125136.9 Ų136.976%0.75871%0.706SS**  trans-64.3108.8172.5177.70000107.6S436 I440S436-V438 PolarHBondContact O-N 3.16Å; V438-I440 VanDerWaalsContact C-N 3.28Å; V438-I440 HydrophobicContact CG1-CG1 4.2Å; V438-I440 PolarHBondContact O-N 3.18Å
439W28.1Very low31.5Very low229 Ų229130.3 Ų130.387%0.86770%0.698SS**  trans-68.290169.2-66.184.5000108.3P437 K441P437-W439 PolarHBondContact O-N 3.21Å; P437-W439 VanDerWaalsContact O-N 3.09Å; W439-K441 PolarHBondContact O-N 3.18Å
440I28.7Very low32.1Very low120 Ų120124 Ų12462%0.61568%0.679SS**  trans-65119.8167-60.7177.4000106.6V438 K442V438-I440 VanDerWaalsContact C-N 3.28Å; V438-I440 HydrophobicContact CG1-CG1 4.2Å; V438-I440 PolarHBondContact O-N 3.18Å; I440-K442 PolarHBondContact O-N 3.32Å
441K28.9Very low32.4Very low160 Ų160122.1 Ų122.170%0.69667%0.67SS**  trans-47.9138176.6-84172.8165.3-1740110.4W439 D443W439-K441 PolarHBondContact O-N 3.18Å; K441-D443 HydrophobicContact CB-CB 4.25Å; K441-D443 WeakPolarHBondContact CD-OD2 3.47Å; K441-D443 PolarHBondContact O-N 3.49Å
442K32.6Very low32.8Very low142 Ų142117.5 Ų117.562%0.61765%0.651SS**G310 helixtrans-53.7-2.2173.4-133.7175-177.2-179.60114.3E163 I440E163-K442 VanDerWaalsContact CD-NZ 3.34Å; E163-K442 IonicContact OE1-NZ 2.65Å; E163-K442 PolarHBondContact OE1-NZ 3Å; E163-K442 IonicContact OE2-NZ 3.29Å; E163-K442 PolarHBondContact OE2-NZ 3.06Å; I440-K442 PolarHBondContact O-N 3.32Å
443D38Very low33.2Very low91 Ų91121.1 Ų121.149%0.48765%0.649SS.*G310 helixtrans-81.4-16.8-171.5-55.2-21.7000113.1K441 C445 Y446K441-D443 HydrophobicContact CB-CB 4.25Å; K441-D443 WeakPolarHBondContact CD-OD2 3.47Å; K441-D443 PolarHBondContact O-N 3.49Å; D443-C445 PolarHBondContact O-N 3.4Å; D443-Y446 WeakPolarHBondContact O-CB 3.28Å; D443-Y446 PolarHBondContact O-N 3.18Å; D443-Y446 VanDerWaalsContact O-N 3.17Å
444A36.7Very low33.7Very low67 Ų67116.3 Ų116.355%0.55463%0.626SS**G310 helixtrans-70.4-25-177.600000114.6Y446A444-Y446 VanDerWaalsContact C-N 3.26Å; A444-Y446 PolarHBondContact O-N 3.13Å
445C34.2Very low34.3Very low50 Ų50116.2 Ų116.234%0.33861%0.614SS.*G310 helixtrans-77.4-14.5175.5-138.80000111.4D443 S448 C458D443-C445 PolarHBondContact O-N 3.4Å; C445-S448 PolarHBondContact O-OG 3.3Å; C445-C458 WeakPolarHBondContact CB-SG 3.35Å; C445-C458 WeakPolarHBondContact SG-CB 3.41Å; C445-C458 CovalentContact SG-SG 2.09Å; C445-C458 PolarHBondContact SG-SG 3.5Å
446Y38.2Very low34.9Very low177 Ų177116.7 Ų116.769%0.69461%0.608SS**THydrogen-bonded Turntrans-85.6-27.9179.9-81.8-87000113.5D443 A444 S448D443-Y446 WeakPolarHBondContact O-CB 3.28Å; D443-Y446 PolarHBondContact O-N 3.18Å; D443-Y446 VanDerWaalsContact O-N 3.17Å; A444-Y446 VanDerWaalsContact C-N 3.26Å; A444-Y446 PolarHBondContact O-N 3.13Å; Y446-S448 VanDerWaalsContact C-N 3.3Å; Y446-S448 PolarHBondContact O-N 3.07Å
447D38.3Very low35.7Very low153 Ų153115.7 Ų115.782%0.81859%0.594SS**THydrogen-bonded Turntrans-80.3-6.4-179.6-82.3-24000114
448S40.1Very low36.2Very low44 Ų44113 Ų11331%0.30858%0.576SS.*THydrogen-bonded Turntrans-93.38.6-172.636.40000115.2C445 Y446 L450C445-S448 PolarHBondContact O-OG 3.3Å; Y446-S448 VanDerWaalsContact C-N 3.3Å; Y446-S448 PolarHBondContact O-N 3.07Å; S448-L450 PolarHBondContact O-N 3.4Å
449G35.1Very low37Very low73 Ų73110.9 Ų110.975%0.75357%0.565SS**  trans62.512.2170.800000115.5N451G449-N451 PolarHBondContact O-N 2.74Å
450L36.5Very low37.9Very low88 Ų88105.2 Ų105.246%0.46155%0.549SS..  trans-69.9121.4177.7-89.1131.4000110S448 L452 V454S448-L450 PolarHBondContact O-N 3.4Å; L450-L452 PolarHBondContact O-N 3.44Å; L450-V454 HydrophobicContact CD2-CG1 4.49Å
451N36.2Very low38.6Very low134 Ų134102.4 Ų102.472%0.71753%0.534SS*.  trans-50.3132.8175.5-92.6-50.1000111.1G449 Y453 V454G449-N451 PolarHBondContact O-N 2.74Å; N451-Y453 PolarHBondContact O-N 3.48Å; N451-V454 PolarHBondContact O-N 3.5Å
452L37.5Very low39.3Very low73 Ų73101.4 Ų101.438%0.38253%0.534SS..THydrogen-bonded Turntrans-54.8-1.4-176.1-89.2131000116.7I8 L450 V454I8-L452 HydrophobicContact CG1-CD2 4.24Å; L450-L452 PolarHBondContact O-N 3.44Å; L452-V454 VanDerWaalsContact C-N 3.34Å
453Y36.7Very low39.9Very low182 Ų182101.6 Ų101.671%0.71454%0.535SS*.THydrogen-bonded Turntrans-84.9-6175.8-81.5-84.7000114.1N451 Y455N451-Y453 PolarHBondContact O-N 3.48Å; Y453-Y455 PolarHBondContact O-N 3.04Å
454V41.6Very low40Very low54 Ų5498.2 Ų98.233%0.32752%0.518SS..  trans-106.150.7-171.5-165.40000110.7L450 N451 L452 D456 I457L450-V454 HydrophobicContact CD2-CG1 4.49Å; N451-V454 PolarHBondContact O-N 3.5Å; L452-V454 VanDerWaalsContact C-N 3.34Å; V454-D456 PolarHBondContact O-N 3.41Å; V454-I457 HydrophobicContact CG1-CB 3.57Å; V454-I457 HydrophobicContact CG1-CD1 3.13Å; V454-I457 HydrophobicContact CG1-CG1 3.21Å
455Y39.4Very low40.3Very low166 Ų16699.8 Ų99.865%0.65151%0.514SS*.THydrogen-bonded Turntrans-69.5-19.4177.8-116.2-92.9000112.9Y453Y453-Y455 PolarHBondContact O-N 3.04Å
456D43.8Very low40.8Very low118 Ų118101.8 Ų101.863%0.63152%0.524SS*.THydrogen-bonded Turntrans-81.4-15.9-179.8-75.7-16.7000113.9V454V454-D456 PolarHBondContact O-N 3.41Å
457I44.2Very low41.1Very low82 Ų8299 Ų9942%0.42152%0.521SS..THydrogen-bonded Turntrans-92.7-29.7-175.6-55.4-173.7000112.7V454 Q460 L461V454-I457 HydrophobicContact CG1-CB 3.57Å; V454-I457 HydrophobicContact CG1-CD1 3.13Å; V454-I457 HydrophobicContact CG1-CG1 3.21Å; I457-Q460 CarbonylContact O-C 3.57Å; I457-Q460 WeakPolarHBondContact O-CA 3.42Å; I457-Q460 WeakPolarHBondContact O-CB 3.24Å; I457-Q460 PolarHBondContact O-N 3.27Å; I457-L461 HydrophobicContact CG2-CD1 3.73Å; I457-L461 HydrophobicContact CG2-CG 4.2Å; I457-L461 PolarHBondContact O-N 3.41Å
458C39.6Very low41.5Very low44 Ų4493.7 Ų93.730%0.29749%0.492SS..Hα-helixtrans-61.3-36.3-176.5-161.50000113.4C445 Q460 L461 M462C445-C458 WeakPolarHBondContact CB-SG 3.35Å; C445-C458 WeakPolarHBondContact SG-CB 3.41Å; C445-C458 CovalentContact SG-SG 2.09Å; C445-C458 PolarHBondContact SG-SG 3.5Å; C458-Q460 VanDerWaalsContact C-N 3.33Å; C458-Q460 PolarHBondContact O-N 2.84Å; C458-L461 PolarHBondContact O-N 3.45Å; C458-M462 PolarHBondContact O-N 2.91Å; C458-M462 VanDerWaalsContact O-N 3.09Å
459P43.2Very low41.8Very low81 Ų8197.5 Ų97.553%0.52651%0.505SS..Hα-helixtrans-66-30.1169.9-20.232.6000114.1K463P459-K463 PolarHBondContact O-N 3Å
460Q46Very low42.5Very low111 Ų111102.2 Ų102.252%0.51951%0.507SS..Hα-helixtrans-78.1-35.9176.2-61.9-159-1.900112.2I457 C458 M462 K463 C464I457-Q460 CarbonylContact O-C 3.57Å; I457-Q460 WeakPolarHBondContact O-CA 3.42Å; I457-Q460 WeakPolarHBondContact O-CB 3.24Å; I457-Q460 PolarHBondContact O-N 3.27Å; C458-Q460 VanDerWaalsContact C-N 3.33Å; C458-Q460 PolarHBondContact O-N 2.84Å; Q460-M462 VanDerWaalsContact C-N 3.32Å; Q460-M462 PolarHBondContact O-N 3.26Å; Q460-K463 WeakPolarHBondContact O-CB 3.35Å; Q460-K463 PolarHBondContact O-N 3.49Å; Q460-K463 VanDerWaalsContact O-N 3.11Å; Q460-C464 PolarHBondContact O-N 2.84Å
461L43.8Very low42.7Very low60 Ų6099.7 Ų99.731%0.31450%0.502SS..Hα-helixtrans-59.8-40.4169.8-95.2151.2000111.9I457 C458 K463 C464 H465I457-L461 HydrophobicContact CG2-CD1 3.73Å; I457-L461 HydrophobicContact CG2-CG 4.2Å; I457-L461 PolarHBondContact O-N 3.41Å; C458-L461 PolarHBondContact O-N 3.45Å; L461-K463 VanDerWaalsContact C-N 3.31Å; L461-K463 PolarHBondContact O-N 3.41Å; L461-C464 PolarHBondContact O-N 3.38Å; L461-C464 VanDerWaalsContact O-N 3.15Å; L461-H465 PolarHBondContact O-N 3.44Å; L461-H465 VanDerWaalsContact O-N 3.08Å
462M44.4Very low42.8Very low139 Ų139101.1 Ų101.169%0.68551%0.51SS*.Hα-helixtrans-64.3-33.7173.5-84.1-166.363.700113.1C458 Q460 H465 T466C458-M462 PolarHBondContact O-N 2.91Å; C458-M462 VanDerWaalsContact O-N 3.09Å; Q460-M462 VanDerWaalsContact C-N 3.32Å; Q460-M462 PolarHBondContact O-N 3.26Å; M462-H465 PolarHBondContact O-N 2.91Å; M462-T466 PolarHBondContact O-N 2.88Å; M462-T466 PolarHBondContact O-OG1 2.87Å
463K43.4Very low42.8Very low147 Ų147104.4 Ų104.464%0.63953%0.527SS*.Hα-helixtrans-67-36.9171.2-77.5-178.2176-178.40112P459 Q460 L461 H465 T466 L467P459-K463 PolarHBondContact O-N 3Å; Q460-K463 WeakPolarHBondContact O-CB 3.35Å; Q460-K463 PolarHBondContact O-N 3.49Å; Q460-K463 VanDerWaalsContact O-N 3.11Å; L461-K463 VanDerWaalsContact C-N 3.31Å; L461-K463 PolarHBondContact O-N 3.41Å; K463-H465 VanDerWaalsContact C-N 3.35Å; K463-H465 PolarHBondContact O-N 3.26Å; K463-T466 WeakPolarHBondContact CA-OG1 3.22Å; K463-T466 PolarHBondContact O-N 3.46Å; K463-T466 PolarHBondContact O-OG1 3.34Å; K463-L467 PolarHBondContact O-N 3.25Å
464C40.5Very low42.7Very low20 Ų2099.7 Ų99.714%0.13552%0.52CS..Hα-helixtrans-67.2-36176.5-147.60000112.1Q460 L461 T466 L467 I468 C493Q460-C464 PolarHBondContact O-N 2.84Å; L461-C464 PolarHBondContact O-N 3.38Å; L461-C464 VanDerWaalsContact O-N 3.15Å; C464-T466 VanDerWaalsContact C-N 3.32Å; C464-T466 PolarHBondContact O-N 2.72Å; C464-L467 PolarHBondContact O-N 3.09Å; C464-I468 WeakPolarHBondContact O-CB 3.33Å; C464-I468 WeakPolarHBondContact O-CD1 3.21Å; C464-I468 WeakPolarHBondContact O-CG1 3.28Å; C464-I468 PolarHBondContact O-N 3.18Å; C464-C493 HydrophobicContact CB-CB 4.23Å; C464-C493 WeakPolarHBondContact CB-SG 3.35Å; C464-C493 WeakPolarHBondContact SG-CB 3.35Å; C464-C493 CovalentContact SG-SG 2.03Å; C464-C493 PolarHBondContact SG-SG 3.25Å
465H44.4Very low42.3Very low100 Ų100105.5 Ų105.546%0.46354%0.543SS..Hα-helixtrans-65.3-32.8174.1-170.1-84.2000113.2L461 M462 K463 H469L461-H465 PolarHBondContact O-N 3.44Å; L461-H465 VanDerWaalsContact O-N 3.08Å; M462-H465 PolarHBondContact O-N 2.91Å; K463-H465 VanDerWaalsContact C-N 3.35Å; K463-H465 PolarHBondContact O-N 3.26Å; H465-H469 AromaticContact CE1-CD2 3.44Å; H465-H469 PolarHBondContact CE1-CD2 3.32Å; H465-H469 VanDerWaalsContact CE1-CD2 3.44Å; H465-H469 AromaticContact CE1-NE2 3.72Å; H465-H469 AromaticContact ND1-CD2 3.85Å; H465-H469 PolarHBondContact O-N 3.08Å
466T44.5Very low41.8Very low91 Ų91104 Ų10456%0.55855%0.547SS*.Hα-helixtrans-71.9-36.2174.516.30000111.7M462 K463 C464 E470M462-T466 PolarHBondContact O-N 2.88Å; M462-T466 PolarHBondContact O-OG1 2.87Å; K463-T466 WeakPolarHBondContact CA-OG1 3.22Å; K463-T466 PolarHBondContact O-N 3.46Å; K463-T466 PolarHBondContact O-OG1 3.34Å; C464-T466 VanDerWaalsContact C-N 3.32Å; C464-T466 PolarHBondContact O-N 2.72Å; T466-E470 PolarHBondContact O-N 3.13Å
467L44.7Very low41.2Very low118 Ų118103.4 Ų103.462%0.61856%0.558SS**Hα-helixtrans-70.8-34.9173.9-81.1154.3000113.5K463 C464 H469 E470 G471K463-L467 PolarHBondContact O-N 3.25Å; C464-L467 PolarHBondContact O-N 3.09Å; L467-H469 VanDerWaalsContact C-N 3.34Å; L467-E470 PolarHBondContact O-N 3.32Å; L467-G471 PolarHBondContact O-N 3.23Å
468I45.6Very low40.5Very low43 Ų43106.2 Ų106.222%0.22157%0.572CS.*Hα-helixtrans-71.2-29.7178.1-69.4163.9000111.6C464 G471C464-I468 WeakPolarHBondContact O-CB 3.33Å; C464-I468 WeakPolarHBondContact O-CD1 3.21Å; C464-I468 WeakPolarHBondContact O-CG1 3.28Å; C464-I468 PolarHBondContact O-N 3.18Å; I468-G471 CarbonylContact O-C 3.52Å; I468-G471 PolarHBondContact O-N 3.25Å
469H47.6Very low40.3Very low124 Ų124109.8 Ų109.857%0.57460%0.596SS**Hα-helixtrans-74-26.6174.5-105.8-77.6000113.6H465 L467 G471H465-H469 AromaticContact CE1-CD2 3.44Å; H465-H469 PolarHBondContact CE1-CD2 3.32Å; H465-H469 VanDerWaalsContact CE1-CD2 3.44Å; H465-H469 AromaticContact CE1-NE2 3.72Å; H465-H469 AromaticContact ND1-CD2 3.85Å; H465-H469 PolarHBondContact O-N 3.08Å; L467-H469 VanDerWaalsContact C-N 3.34Å; H469-G471 VanDerWaalsContact C-N 3.31Å
470E48.5Very low40Very low171 Ų171112.5 Ų112.580%0.79961%0.605SS**Hα-helixtrans-80.9-11.6174.3-71.9-174162.200112.9T466 L467T466-E470 PolarHBondContact O-N 3.13Å; L467-E470 PolarHBondContact O-N 3.32Å
471G41Very low39.4Very low35 Ų35113.2 Ų113.236%0.36162%0.623SS.*THydrogen-bonded Turntrans-12575.1177.800000113.4L467 I468 H469 I473L467-G471 PolarHBondContact O-N 3.23Å; I468-G471 CarbonylContact O-C 3.52Å; I468-G471 PolarHBondContact O-N 3.25Å; H469-G471 VanDerWaalsContact C-N 3.31Å; G471-I473 VanDerWaalsContact O-CG1 3.3Å; G471-I473 WeakPolarHBondContact O-CG1 3.28Å; G471-I473 PolarHBondContact O-N 2.91Å
472N37.6Very low39.2Very low164 Ų164114.1 Ų114.188%0.87763%0.628SS**THydrogen-bonded Turntrans34.819.3155.3-85.9-8.7000121.8
473I38.8Very low39Very low142 Ų142111.9 Ų111.973%0.72863%0.626SS**  trans-104.34.5-173.2-67.3165.7000113G471G471-I473 VanDerWaalsContact O-CG1 3.3Å; G471-I473 WeakPolarHBondContact O-CG1 3.28Å; G471-I473 PolarHBondContact O-N 2.91Å
474C34.6Very low39.1Very low84 Ų84109.2 Ų109.257%0.56862%0.622SS**  trans-135.579.7174.8-77.20000111.9
475Q31.6Very low39.4Very low175 Ų175109.7 Ų109.782%0.81863%0.626SS**  trans-80.4129.1161.1-86-177.3-21.900109.8
476N30.4Very low39.6Very low136 Ų136111 Ų11173%0.72763%0.627SS**SBendtrans75.634163.6-60.3-18000119.7I478N476-I478 WeakPolarHBondContact O-CG1 3.35Å; N476-I478 PolarHBondContact O-N 3.42Å
477A30.8Very low39.8Very low105 Ų105111.2 Ų111.287%0.86863%0.625SS**  trans51.327.1157.300000116.7
478I29.4Very low39.9Very low141 Ų141111.5 Ų111.572%0.72362%0.623SS**  trans-95.2103.8173.3-65.1161.5000106.8N476 L480N476-I478 WeakPolarHBondContact O-CG1 3.35Å; N476-I478 PolarHBondContact O-N 3.42Å; I478-L480 PolarHBondContact O-N 3.23Å
479C34.8Very low39.9Very low119 Ų119111.5 Ų111.580%0.80463%0.626SS**  trans-62.8114.7173.1-65.90000109.7S481C479-S481 PolarHBondContact O-N 2.95Å
480L36.6Very low40Very low137 Ų137109 Ų10972%0.71762%0.616SS**  trans-64.4111.3173.9-71.4160.8000109.2I478 D482I478-L480 PolarHBondContact O-N 3.23Å; L480-D482 PolarHBondContact O-N 3.21Å
481S34.3Very low40Very low127 Ų127106.9 Ų106.989%0.88861%0.606SS**  trans-96.728.8-168.165.20000114.3C479C479-S481 PolarHBondContact O-N 2.95Å
482D39.5Very low40.3Very low78 Ų78108.5 Ų108.542%0.41761%0.612SS.*  trans-126.6145.3176.682.138.2000114L480 T484 S485 W486L480-D482 PolarHBondContact O-N 3.21Å; D482-T484 VanDerWaalsContact CG-OG1 3.3Å; D482-T484 PolarHBondContact O-N 3.37Å; D482-T484 PolarHBondContact OD1-N 3.3Å; D482-T484 PolarHBondContact OD1-OG1 3.49Å; D482-S485 VanDerWaalsContact CG-OG 3.29Å; D482-S485 PolarHBondContact O-N 2.93Å; D482-S485 VanDerWaalsContact OD1-CB 3.22Å; D482-S485 WeakPolarHBondContact OD1-CB 3.15Å; D482-S485 PolarHBondContact OD1-N 3.29Å; D482-S485 PolarHBondContact OD1-OG 3.49Å; D482-S485 PolarHBondContact OD2-OG 3.24Å; D482-W486 PolarHBondContact O-N 2.88Å
483S40Very low40.6Very low93 Ų93102 Ų10265%0.6558%0.579SS**Hα-helixtrans-64.5-25.1-175.264.80000113.9N487S483-N487 PolarHBondContact O-N 3.22Å; S483-N487 PolarHBondContact O-ND2 3.3Å
484T45.3Very low40.8Very low90 Ų9099 Ų9955%0.55257%0.57SS**Hα-helixtrans-72.6-42.8179.322.60000111.9D482 W486 N487 Q488D482-T484 VanDerWaalsContact CG-OG1 3.3Å; D482-T484 PolarHBondContact O-N 3.37Å; D482-T484 PolarHBondContact OD1-N 3.3Å; D482-T484 PolarHBondContact OD1-OG1 3.49Å; T484-W486 VanDerWaalsContact C-N 3.3Å; T484-W486 PolarHBondContact O-N 2.87Å; T484-N487 PolarHBondContact O-N 3.12Å; T484-Q488 PolarHBondContact O-N 3.42Å; T484-Q488 VanDerWaalsContact O-N 3.13Å
485S48Very low41.1Very low30 Ų30102.1 Ų102.121%0.2158%0.58CS.*Hα-helixtrans-66.8-34.1176.1-54.30000111.3D482 Q488 C489D482-S485 VanDerWaalsContact CG-OG 3.29Å; D482-S485 PolarHBondContact O-N 2.93Å; D482-S485 VanDerWaalsContact OD1-CB 3.22Å; D482-S485 WeakPolarHBondContact OD1-CB 3.15Å; D482-S485 PolarHBondContact OD1-N 3.29Å; D482-S485 PolarHBondContact OD1-OG 3.49Å; D482-S485 PolarHBondContact OD2-OG 3.24Å; S485-Q488 PolarHBondContact O-N 2.84Å; S485-C489 PolarHBondContact O-N 3.09Å
486W48.7Very low41.9Very low128 Ų128100.8 Ų100.849%0.48558%0.578SS.*Hα-helixtrans-67.6-41.7175.5-157.9-122.4000112.6D482 T484 Q488 C489 I490D482-W486 PolarHBondContact O-N 2.88Å; T484-W486 VanDerWaalsContact C-N 3.3Å; T484-W486 PolarHBondContact O-N 2.87Å; W486-Q488 VanDerWaalsContact C-N 3.33Å; W486-Q488 PolarHBondContact O-N 2.98Å; W486-C489 HydrophobicContact CE3-CB 4.43Å; W486-C489 WeakPolarHBondContact O-CB 3.01Å; W486-C489 PolarHBondContact O-N 3.22Å; W486-I490 WeakPolarHBondContact O-CG1 3.47Å; W486-I490 PolarHBondContact O-N 2.85Å
487N47.1Very low42.3Very low96 Ų96100.1 Ų100.151%0.51357%0.571SS.*Hα-helixtrans-63.8-37.4174.2-75.9-31.4000112.3S483 T484 I490 Q491S483-N487 PolarHBondContact O-N 3.22Å; S483-N487 PolarHBondContact O-ND2 3.3Å; T484-N487 PolarHBondContact O-N 3.12Å; N487-I490 PolarHBondContact O-N 3.25Å; N487-Q491 WeakPolarHBondContact O-CB 3.47Å; N487-Q491 WeakPolarHBondContact O-CG 3.46Å; N487-Q491 PolarHBondContact O-N 3.03Å
488Q47.7Very low42.4Very low124 Ų124105.4 Ų105.458%0.57957%0.574SS**Hα-helixtrans-66.5-36.7173.6-76.9179.7-18.600112.7T484 S485 W486 Q491 S492T484-Q488 PolarHBondContact O-N 3.42Å; T484-Q488 VanDerWaalsContact O-N 3.13Å; S485-Q488 PolarHBondContact O-N 2.84Å; W486-Q488 VanDerWaalsContact C-N 3.33Å; W486-Q488 PolarHBondContact O-N 2.98Å; Q488-Q491 PolarHBondContact O-N 3.49Å; Q488-S492 WeakPolarHBondContact O-CB 3.23Å; Q488-S492 PolarHBondContact O-N 2.86Å; Q488-S492 PolarHBondContact O-OG 3.48Å
489C46.4Very low42.5Very low43 Ų43103.3 Ų103.329%0.29157%0.57SS.*Hα-helixtrans-64.6-46.9174.4-173.90000111.4S485 W486 Q491 S492 C493S485-C489 PolarHBondContact O-N 3.09Å; W486-C489 HydrophobicContact CE3-CB 4.43Å; W486-C489 WeakPolarHBondContact O-CB 3.01Å; W486-C489 PolarHBondContact O-N 3.22Å; C489-Q491 PolarHBondContact O-N 3.49Å; C489-S492 PolarHBondContact O-N 3.39Å; C489-C493 PolarHBondContact O-N 2.98Å
490I49.9Very low42.2Very low71 Ų71107.2 Ų107.236%0.36458%0.577SS.*Hα-helixtrans-61.4-44.4175.8-67.2170.6000110.9W486 N487 S492 C493 C494W486-I490 WeakPolarHBondContact O-CG1 3.47Å; W486-I490 PolarHBondContact O-N 2.85Å; N487-I490 PolarHBondContact O-N 3.25Å; I490-S492 VanDerWaalsContact C-N 3.32Å; I490-S492 PolarHBondContact O-N 3.25Å; I490-C493 PolarHBondContact O-N 3.44Å; I490-C494 WeakPolarHBondContact O-CB 3.38Å; I490-C494 PolarHBondContact O-N 2.86Å
491Q47.4Very low41.9Very low127 Ų127110.6 Ų110.659%0.59358%0.581SS**Hα-helixtrans-60.8-40.6175.7-81.6-179-20.900112.2N487 Q488 C489 C494 L495N487-Q491 WeakPolarHBondContact O-CB 3.47Å; N487-Q491 WeakPolarHBondContact O-CG 3.46Å; N487-Q491 PolarHBondContact O-N 3.03Å; Q488-Q491 PolarHBondContact O-N 3.49Å; C489-Q491 PolarHBondContact O-N 3.49Å; Q491-C494 PolarHBondContact O-N 2.69Å; Q491-L495 WeakPolarHBondContact O-CB 3.26Å; Q491-L495 WeakPolarHBondContact O-CD1 3.48Å; Q491-L495 WeakPolarHBondContact O-CG 3.49Å; Q491-L495 PolarHBondContact O-N 3.07Å
492S48.1Very low41.6Very low68 Ų68108.9 Ų108.948%0.47657%0.57SS.*Hα-helixtrans-69.4-40178.9-57.30000112.1Q488 C489 I490 L495 L496Q488-S492 WeakPolarHBondContact O-CB 3.23Å; Q488-S492 PolarHBondContact O-N 2.86Å; Q488-S492 PolarHBondContact O-OG 3.48Å; C489-S492 PolarHBondContact O-N 3.39Å; I490-S492 VanDerWaalsContact C-N 3.32Å; I490-S492 PolarHBondContact O-N 3.25Å; S492-L495 PolarHBondContact O-N 3.17Å; S492-L496 WeakPolarHBondContact O-CD1 3.3Å; S492-L496 PolarHBondContact O-N 2.86Å
493C44.2Very low41.1Very low27 Ų27111.9 Ų111.918%0.18259%0.586CS.*Hα-helixtrans-62.6-42.7171.8-81.10000112C464 C489 I490 L495 L496C464-C493 HydrophobicContact CB-CB 4.23Å; C464-C493 WeakPolarHBondContact CB-SG 3.35Å; C464-C493 WeakPolarHBondContact SG-CB 3.35Å; C464-C493 CovalentContact SG-SG 2.03Å; C464-C493 PolarHBondContact SG-SG 3.25Å; C489-C493 PolarHBondContact O-N 2.98Å; I490-C493 PolarHBondContact O-N 3.44Å; C493-L495 VanDerWaalsContact C-N 3.32Å; C493-L495 PolarHBondContact O-N 3.48Å; C493-L496 PolarHBondContact O-N 2.63Å
494C41.2Very low40.6Very low81 Ų81117.5 Ų117.555%0.54759%0.594SS.*Hα-helixtrans-68.9-26.3178.5-830000113.6I490 Q491 L496I490-C494 WeakPolarHBondContact O-CB 3.38Å; I490-C494 PolarHBondContact O-N 2.86Å; Q491-C494 PolarHBondContact O-N 2.69Å; C494-L496 VanDerWaalsContact C-N 3.35Å
495L42.6Very low39.8Very low149 Ų149119 Ų11978%0.7860%0.603SS**Hα-helixtrans-78.2-18.1175.9-79.5162.9000113.3Q491 S492 C493Q491-L495 WeakPolarHBondContact O-CB 3.26Å; Q491-L495 WeakPolarHBondContact O-CD1 3.48Å; Q491-L495 WeakPolarHBondContact O-CG 3.49Å; Q491-L495 PolarHBondContact O-N 3.07Å; S492-L495 PolarHBondContact O-N 3.17Å; C493-L495 VanDerWaalsContact C-N 3.32Å; C493-L495 PolarHBondContact O-N 3.48Å
496L47.4Very low39.1Very low147 Ų147123.6 Ų123.677%0.7763%0.63SS**Hα-helixtrans-87.4-23.5-178.8-88.6153.1000113.6S492 C493 C494S492-L496 WeakPolarHBondContact O-CD1 3.3Å; S492-L496 PolarHBondContact O-N 2.86Å; C493-L496 PolarHBondContact O-N 2.63Å; C494-L496 VanDerWaalsContact C-N 3.35Å
497E39.8Very low38.3Very low122 Ų122122.3 Ų122.357%0.5764%0.641SS**THydrogen-bonded Turntrans-96.9117.9164.2-72.9-168.616000108.4C499E497-C499 PolarHBondContact O-N 3.18Å
498K33Very low37.5Very low216 Ų216123.4 Ų123.494%0.93965%0.651SS**THydrogen-bonded Turntrans-55.867.4179.7-66.1179.5175.7-179.80114E500K498-E500 PolarHBondContact O-N 3.36Å
499C30.6Very low36.9Very low96 Ų96124.5 Ų124.565%0.64966%0.661SS**  trans-84.6106.8166.5-66.70000106.5E497 Y501E497-C499 PolarHBondContact O-N 3.18Å; C499-Y501 PolarHBondContact O-N 2.74Å
500E28.8Very low36.1Very low201 Ų201129.6 Ų129.694%0.93969%0.686SS**  trans-56.6101.1166.7-85.1177.6149.300108.7K498 S502K498-E500 PolarHBondContact O-N 3.36Å; E500-S502 PolarHBondContact O-N 2.9Å
501Y29.2Very low35.1Very low208 Ų208132.5 Ų132.582%0.81671%0.709SS**  trans-79.9108162.9-144.3-93.1000106.1C499 D503C499-Y501 PolarHBondContact O-N 2.74Å; Y501-D503 PolarHBondContact O-N 3.45Å; Y501-D503 VanDerWaalsContact O-N 3.14Å
502S29.8Very low34.2Very low92 Ų92131 Ų13164%0.64371%0.713SS**  trans-70107.917260.70000108.7E500 Y504E500-S502 PolarHBondContact O-N 2.9Å; S502-Y504 PolarHBondContact O-N 2.96Å; S502-Y504 VanDerWaalsContact O-N 3.08Å
503D28.9Very low33.2Very low141 Ų141133.2 Ų133.275%0.75473%0.728SS**  trans-58.8105.5169.5-77.8-37.1000110.3Y501Y501-D503 PolarHBondContact O-N 3.45Å; Y501-D503 VanDerWaalsContact O-N 3.14Å
504Y28.9Very low32.5Very low210 Ų210138 Ų13882%0.82476%0.757SS**  trans-96.193154.1-92.9-83.4000108.3S502 T506S502-Y504 PolarHBondContact O-N 2.96Å; S502-Y504 VanDerWaalsContact O-N 3.08Å; Y504-T506 PolarHBondContact O-N 3.2Å
505T28Very low31.9Very low122 Ų122145.3 Ų145.375%0.74877%0.774SS**  trans-61.1115163.748.90000110.2
506T32.5Very low31.2Very low126 Ų126148.6 Ų148.677%0.77378%0.778SS**  trans-140.2102.5153.545.30000110.2Y504Y504-T506 PolarHBondContact O-N 3.2Å
507S32.3Very low30.3Very low101 Ų101149 Ų14971%0.70678%0.781SS**  trans21.9116.6146.464.90000119.5
508T31.8Very low29.7Very low119 Ų119152.8 Ų152.873%0.7380%0.799SS**  28.5109.5126.5560000117.7
509D33.3Very low29.4Very low148 Ų148146.8 Ų146.879%0.79178%0.783SS**  143.3131.1126.8-69.4-25000112.9
510N31Very low29.2Very low150 Ų150148.9 Ų148.980%0.80279%0.794SS**  trans82.8104.7172-78.2-27000120.5S512N510-S512 PolarHBondContact O-N 3.48Å
511P27.6Very low29.1Very low131 Ų131148 Ų14885%0.85179%0.792SS**  trans-9676168.337.3-27.4000110.5
512S29.2Very low29.1Very low97 Ų97145.7 Ų145.768%0.67879%0.794SS**SBendtrans-178.677.6164.150.40000111.4N510N510-S512 PolarHBondContact O-N 3.48Å
513S27.6Very low29.2Very low113 Ų113148.6 Ų148.679%0.7980%0.802SS**  trans159.496.5149.347.90000111
514T28.2Very low29.4Very low128 Ų128150.8 Ų150.879%0.78580%0.801SS**  trans-151.189.7156.68.70000109.2Y516T514-Y516 PolarHBondContact O-N 3.26Å
515Y28.9Very low29.5Very low235 Ų235151.4 Ų151.492%0.92280%0.802SS**  trans-57.5116.7155.3-98.1-100.2000108.1N517Y515-N517 PolarHBondContact O-N 3.04Å
516Y28.3Very low29.5Very low218 Ų218150.7 Ų150.786%0.85580%0.801SS**  trans-73.9107.3173.2-97.3-92.4000109.8T514 Q518T514-Y516 PolarHBondContact O-N 3.26Å; Y516-Q518 PolarHBondContact O-N 3.35Å
517N28.6Very low29.6Very low155 Ų155152.2 Ų152.283%0.82980%0.803SS**  trans-74.3108.8162.8-106.9-18.5000108.6Y515 S519Y515-N517 PolarHBondContact O-N 3.04Å; N517-S519 PolarHBondContact O-N 3.24Å
518Q27.3Very low29.7Very low202 Ų202157 Ų15794%0.94481%0.806SS**  trans-87.185.8178.9-145.2167.81500109Y516Y516-Q518 PolarHBondContact O-N 3.35Å
519S26.2Very low29.8Very low89 Ų89157.3 Ų157.362%0.62280%0.797SS**  trans-141.7132.716760.10000109.2N517N517-S519 PolarHBondContact O-N 3.24Å
520T26.9Very low29.8Very low141 Ų141155.9 Ų155.987%0.86579%0.787SS**  trans88.492.1174.772.20000116.5
521M27.4Very low30.1Very low183 Ų183153 Ų15390%0.90177%0.772SS**  trans-153.378.6145.4-142.5170.6160.900109.8
522N28.9Very low30.4Very low159 Ų159155 Ų15585%0.8577%0.767SS**  trans-90106153-95-18.5000105.4
523D32Very low30.7Very low152 Ų152156.7 Ų156.781%0.81376%0.759SS**  trans-15479.2157.4-90.7-29.3000109.1
524Y31.9Very low31.1Very low188 Ų188156.9 Ų156.974%0.73775%0.751SS**  trans-69.4148.7153.9-101.7-101000108.3N769Y524-N769 PolarHBondContact OH-ND2 2.9Å
525W32.1Very low31.8Very low223 Ų223158.2 Ų158.285%0.84575%0.746SS**SBendtrans105-14.3159.1-91.457.5000122.7
526C27.7Very low32.1Very low107 Ų107151.4 Ų151.472%0.72373%0.732SS**SBendtrans-92.9-5.9-167.2-144.10000118.6
527L33.9Very low32.6Very low157 Ų157148.4 Ų148.482%0.82272%0.724SS**SBendtrans-115.6-13-172-73.4166.7000117.1
528R34.7Very low33.1Very low203 Ų203149.5 Ų149.577%0.76672%0.724SS**Hα-helixtrans-95.9-15.6175.5-95.7-172-176.4-171.83.9115.1
529F33.5Very low33.4Very low125 Ų125146.8 Ų146.855%0.54872%0.716SS.*Hα-helixtrans-79.8-32.5172.6-167.3-101.2000111.5W533F529-W533 HydrophobicContact CD1-CE3 4.38Å; F529-W533 HydrophobicContact CE1-CD2 4.14Å; F529-W533 AromaticContact CE1-CE3 3.43Å; F529-W533 HydrophobicContact CE1-CE3 3.43Å; F529-W533 VanDerWaalsContact CE1-CE3 3.43Å; F529-W533 AromaticContact CE1-CZ3 3.81Å; F529-W533 HydrophobicContact CE1-CZ3 3.81Å; F529-W533 HydrophobicContact CE2-CE3 4.38Å; F529-W533 AromaticContact CZ-CE3 3.44Å; F529-W533 HydrophobicContact CZ-CE3 3.44Å; F529-W533 VanDerWaalsContact CZ-CE3 3.44Å; F529-W533 AromaticContact CZ-CZ3 3.53Å; F529-W533 HydrophobicContact CZ-CZ3 3.53Å; F529-W533 VanDerWaalsContact O-CB 3.23Å; F529-W533 WeakPolarHBondContact O-CB 3.28Å; F529-W533 PolarHBondContact O-N 2.97Å
530M33.9Very low33.7Very low117 Ų117151.8 Ų151.858%0.57673%0.729SS**Hα-helixtrans-74.4-31.2-177.6-67.4-68.7-96.700113.7N534M530-N534 WeakPolarHBondContact O-CB 3.35Å; M530-N534 PolarHBondContact O-N 3.41Å
531D37.2Very low33.8Very low90 Ų90151.8 Ų151.848%0.48173%0.729SS.*Hα-helixtrans-76.3-32.3176.9-169.254.8000113.2K535D531-K535 PolarHBondContact O-N 2.95Å; D531-K535 IonicContact OD1-NZ 3.95Å; D531-K535 PolarHBondContact OD1-NZ 3.21Å; D531-K535 IonicContact OD2-NZ 2.85Å; D531-K535 PolarHBondContact OD2-NZ 3.03Å
532K34.1Very low33.8Very low173 Ų173152.3 Ų152.375%0.75273%0.732SS**Hα-helixtrans-78.8-25.4171.6-95.4-173.4175.2-177.50113.3
533W34.4Very low33.5Very low133 Ų133154.4 Ų154.450%0.50473%0.734SS.*Hα-helixtrans-76.3-36.3174.5-164-86.2000112.2F529 S536F529-W533 HydrophobicContact CD1-CE3 4.38Å; F529-W533 HydrophobicContact CE1-CD2 4.14Å; F529-W533 AromaticContact CE1-CE3 3.43Å; F529-W533 HydrophobicContact CE1-CE3 3.43Å; F529-W533 VanDerWaalsContact CE1-CE3 3.43Å; F529-W533 AromaticContact CE1-CZ3 3.81Å; F529-W533 HydrophobicContact CE1-CZ3 3.81Å; F529-W533 HydrophobicContact CE2-CE3 4.38Å; F529-W533 AromaticContact CZ-CE3 3.44Å; F529-W533 HydrophobicContact CZ-CE3 3.44Å; F529-W533 VanDerWaalsContact CZ-CE3 3.44Å; F529-W533 AromaticContact CZ-CZ3 3.53Å; F529-W533 HydrophobicContact CZ-CZ3 3.53Å; F529-W533 VanDerWaalsContact O-CB 3.23Å; F529-W533 WeakPolarHBondContact O-CB 3.28Å; F529-W533 PolarHBondContact O-N 2.97Å; W533-S536 PolarHBondContact O-N 3.06Å
534N37.1Very low33.4Very low116 Ų116152.9 Ų152.962%0.6273%0.734SS**Hα-helixtrans-72.8-31.8177-96.2-9.9000113.8M530 S536M530-N534 WeakPolarHBondContact O-CB 3.35Å; M530-N534 PolarHBondContact O-N 3.41Å; N534-S536 VanDerWaalsContact C-N 3.3Å; N534-S536 PolarHBondContact O-N 3.42Å
535K42.5Very low33.1Very low157 Ų157149.2 Ų149.268%0.68374%0.737SS**THydrogen-bonded Turntrans-76.4-13.5174.4-77.8170.6-177.9144.60114.3D531D531-K535 PolarHBondContact O-N 2.95Å; D531-K535 IonicContact OD1-NZ 3.95Å; D531-K535 PolarHBondContact OD1-NZ 3.21Å; D531-K535 IonicContact OD2-NZ 2.85Å; D531-K535 PolarHBondContact OD2-NZ 3.03Å
536S35.9Very low32.7Very low92 Ų92144 Ų14464%0.64373%0.733SS**THydrogen-bonded Turntrans-90.5-18.3177.8-178.20000113.3W533 N534W533-S536 PolarHBondContact O-N 3.06Å; N534-S536 VanDerWaalsContact C-N 3.3Å; N534-S536 PolarHBondContact O-N 3.42Å
537K37.5Very low32.7Very low154 Ų154146.8 Ų146.867%0.6774%0.739SS**THydrogen-bonded Turntrans-95.26.2-171-106.7-168.3177.1-1700116.7
538Q40.3Very low32.2Very low179 Ų179149.6 Ų149.684%0.83674%0.74SS**THydrogen-bonded Turntrans-89.9-3.2177.5-88.1-173.8-18.300115.1
539N33.8Very low31.9Very low145 Ų145145.9 Ų145.978%0.77574%0.735SS**SBendtrans-118.2120.4172.1-84.2-22.1000110.1
540Q32.8Very low31.7Very low194 Ų194145.3 Ų145.391%0.90774%0.744SS**  trans97.796.8172.3-56.2-176.5-11.700116.9
541T27.1Very low31.4Very low141 Ų141144 Ų14487%0.86575%0.746SS**  trans-54.4121.5155.646.70000112.3
542M27.4Very low31Very low193 Ų193149.1 Ų149.195%0.95177%0.77SS**  trans-164.9132132.4-108-167178.200111.4
543K24.3Very low30.8Very low204 Ų204150.6 Ų150.689%0.88778%0.776SS**  trans-72.5142.1-176.8-68.7168.8170.9175.70112
544S29.4Very low30.7Very low119 Ų119152.1 Ų152.183%0.83279%0.789SS**  173.7134.8116.356.30000113.1
545S24.6Very low30.3Very low112 Ų112153 Ų15378%0.78379%0.793SS**  trans-47.3160.9174-44.10000115.4
546C24.9Very low29.5Very low113 Ų113150.6 Ų150.676%0.76480%0.797SS**  cis-162.4142.149-710000113.8
547I27.9Very low28.9Very low165 Ų165151.3 Ų151.385%0.84680%0.796SS**  trans45.8124.6131-49.3172.9000120.9
548Y23.7Very low28.4Very low216 Ų216152.3 Ų152.385%0.84781%0.808SS**  trans-120.3129.3167.2-161.1-89.3000108.8
549D27.8Very low27.7Very low125 Ų125153.6 Ų153.667%0.66881%0.806SS**  trans-109.8121.3175.1-174.10.7000110S551D549-S551 PolarHBondContact O-N 2.89Å
550P28.7Very low27.3Very low114 Ų114157.5 Ų157.574%0.7481%0.811SS**  trans-92.880.1-178.335.9-31.2000112
551S28Very low27Very low88 Ų88156.5 Ų156.562%0.61580%0.804SS**  trans-147.765.3170.373.80000114.2D549D549-S551 PolarHBondContact O-N 2.89Å
552M28.3Very low27.2Very low199 Ų199154.5 Ų154.598%0.9880%0.796SS**  trans-144.9102.4161.5-80.9-154.315700112.6
553K29.9Very low27.4Very low203 Ų203153 Ų15388%0.88379%0.786SS**  trans-99.1111.2155-89.1-177.8176176.50107.7
554H32.3Very low27.7Very low165 Ų165149.1 Ų149.176%0.76478%0.775SS**  trans164.3128.8135.3-99.2-78.2000110.6
555N28.4Very low27.9Very low135 Ų135152.4 Ų152.472%0.72277%0.774SS**  trans51.1108.3149.2-62-8.3000120.4
556S25.7Very low28.1Very low107 Ų107150.9 Ų150.975%0.74876%0.763SS**  81.5125.8126.773.30000120.7
557V23.6Very low28.2Very low106 Ų106155.1 Ų155.164%0.64277%0.765SS**  trans73.6117.6153.2-165.20000118.5
558L27.1Very low28.3Very low175 Ų175154.8 Ų154.892%0.91676%0.764SS**  -164.3147.2125.2-105.9142.1000114.9
559W25.3Very low28.6Very low207 Ų207150.9 Ų150.978%0.78476%0.762SS**  trans-83.7160.2-157.9-76.864.4000116.4
560Y25.3Very low28.5Very low227 Ų227153.8 Ų153.889%0.8977%0.772SS**  trans-137.7107.3136-140-91.4000112.5
561K28.2Very low28.6Very low173 Ų173155 Ų15575%0.75278%0.777SS**  trans18.1127.6146.7-111.5162.3172.4174.20118.2
562S29.8Very low28.7Very low99 Ų99156.6 Ų156.669%0.69279%0.785SS**  -174.9124.473.6159.40000114
563H31.2Very low28.6Very low160 Ų160152.4 Ų152.474%0.74178%0.775SS**  trans77.498.8153.2-79.6-71.1000123.5
564D31.4Very low28.7Very low123 Ų123150.5 Ų150.566%0.65878%0.775SS**  55.7131.9128.1-63.5-31.8000120.9
565K32.9Very low28.7Very low189 Ų189147.9 Ų147.982%0.82278%0.775SS**  cis-163.7147.211.1-108170.6-176.5179.60110.3
566S28.8Very low28.7Very low79 Ų79149.4 Ų149.455%0.55278%0.783SS**  trans-65.1167.9172.8400000114.4
567Y28.7Very low28.9Very low203 Ų203151 Ų15180%0.79678%0.782SS**  -172150.858.3-79.6-89.5000112.5
568L29Very low29.3Very low158 Ų158151.9 Ų151.983%0.82778%0.783SS**  -176133.6125.3-102.1156000112
569T30.3Very low29.3Very low133 Ų133149.5 Ų149.582%0.81678%0.778SS**  trans-106.2156.7-176.432.80000112.9
570E26Very low29.4Very low186 Ų186146.8 Ų146.887%0.86978%0.779SS**  trans-73.1155.3-178.1-56.3168.6148.600115.3
571V30.5Very low29.6Very low141 Ų141145.8 Ų145.886%0.85577%0.774SS**  trans-170.6173131.3-143.10000110.8
572P29.6Very low29.6Very low120 Ų120147.3 Ų147.378%0.77978%0.784SS**  -118.6178-102.841.6-22.2000116.5
573S27.7Very low29.6Very low111 Ų111149.6 Ų149.678%0.77679%0.787SS**  trans-84.3121.5-171.650.60000116.6
574N31.7Very low29.3Very low163 Ų163147.9 Ų147.987%0.87279%0.791SS**  trans179.6101.1140.4-108.1-12000111.8
575S31.5Very low29.2Very low110 Ų110146.2 Ų146.277%0.76979%0.787SS**  trans-180127.8147.656.10000111.8I577S575-I577 PolarHBondContact O-N 3.4Å
576N29.1Very low28.9Very low167 Ų167145.4 Ų145.489%0.89379%0.791SS**  trans-44.9101.6178.3-70.8-36.5000115.9
577I30.4Very low29Very low142 Ų142148 Ų14873%0.72881%0.807SS**  trans-147.4109.5162.9-56.2-178.5000111.3S575S575-I577 PolarHBondContact O-N 3.4Å
578N30.2Very low28.9Very low124 Ų124147.5 Ų147.566%0.66381%0.812SS**  trans35.7114148.5-147.4-10.9000119.3N580N578-N580 PolarHBondContact O-N 3.33Å
579P27.2Very low29Very low125 Ų125148.7 Ų148.781%0.81282%0.816SS**THydrogen-bonded Turntrans-77.432.1-168.734.1-37.4000115.6
580N28.8Very low28.9Very low150 Ų150149.1 Ų149.180%0.80281%0.813SS**THydrogen-bonded Turntrans-132.230.2179.7-80.2-36.4000113.8N578N578-N580 PolarHBondContact O-N 3.33Å
581R28.3Very low28.9Very low206 Ų206149.8 Ų149.878%0.77781%0.813SS**  trans-132.498172-88.2-174.3173-178-1.3111.4
582E28.4Very low29Very low205 Ų205149.1 Ų149.196%0.95881%0.805SS**  trans-96.3108.3158-78-175.3165.700109
583I30.3Very low29.1Very low147 Ų147149.8 Ų149.875%0.75480%0.802SS**  trans-91.3131.9166.3-64.9168000106.3
584C25.2Very low29.1Very low123 Ų123151.4 Ų151.483%0.83180%0.802SS**  trans-131.6134.9166-162.30000108.6
585P28.1Very low29.1Very low89 Ų89151.2 Ų151.258%0.57880%0.801SS**  trans-97.1124.7-146.534.7-28.4000112.9
586L28Very low28.9Very low172 Ų172152.4 Ų152.490%0.90180%0.799SS**SBendtrans-177124154.8-97.7141.9000106.9
587C29.7Very low28.8Very low133 Ų133151.6 Ų151.690%0.89979%0.794SS**  trans94.566.2-172.4-45.50000114.9
588Q28.2Very low28.7Very low193 Ų193152.2 Ų152.290%0.90280%0.797SS**  trans-93.2106.2153.5-151.4177.1200106.4
589M29.5Very low28.7Very low183 Ų183152.1 Ų152.190%0.90180%0.801SS**  trans-149134155.5-82.3-16176.600108.1
590D29.5Very low28.6Very low141 Ų141157 Ų15775%0.75480%0.803SS**  trans-52.3139.9-156.3-72.9-56000117.8
591K25.9Very low28.6Very low201 Ų201158.5 Ų158.587%0.87481%0.805SS**  trans-86.6110.6142.8-87-175.6175.1-179.70106.4
592D31.8Very low28.6Very low127 Ų127154 Ų15468%0.67981%0.806SS**  trans-135.4129.5155.1-94.8-27.3000110.9
593N31.5Very low28.5Very low134 Ų134154 Ų15472%0.71780%0.803SS**  trans71.1102.6151.5-61.7-32.6000119.6N595N593-N595 PolarHBondContact O-N 2.68Å
594N28.5Very low28.5Very low145 Ų145152 Ų15278%0.77580%0.802SS**  13.7106.3112.1-69.7-17.3000114.2
595N31.7Very low28.8Very low158 Ų158155 Ų15585%0.84580%0.801SS**  -174.1137.9118.2-93.1-24.1000111.6N593N593-N595 PolarHBondContact O-N 2.68Å
596D27.5Very low29Very low136 Ų136159.7 Ų159.773%0.72782%0.815SS**  trans-55.8155.3170.1-71.1-59.2000113.3
597N27.2Very low29Very low149 Ų149158.4 Ų158.480%0.79781%0.809SS**  trans72155.6154.3-62.6-41.4000117.6
598I28.3Very low29.3Very low155 Ų155157.5 Ų157.580%0.79580%0.801SS**  trans107.796.5160.6-55176.6000114.3
599V29Very low29.7Very low123 Ų123150.4 Ų150.475%0.74578%0.78SS**  trans86.896.5133.8178.40000115.8
600R24.5Very low29.9Very low226 Ų226147.4 Ų147.485%0.85377%0.767SS**  34.49878.2-79.1-169.9-176.3-177.52.7114
601Q28.8Very low30.2Very low182 Ų182147.4 Ų147.485%0.8576%0.762SS**  152.1147.7124.4-86.1174.4-10.400113.6
602S30.1Very low30.7Very low113 Ų113147.9 Ų147.979%0.7976%0.759SS**  trans71.8105.9164.672.40000116.1
603K25.2Very low31.2Very low205 Ų205146.4 Ų146.489%0.89175%0.75SS**  38.9100.768.5-82-172.3178.7178.20113.1
604S29.8Very low31.5Very low105 Ų105144 Ų14473%0.73474%0.736SS**  168.8148.8110.565.30000113.4
605K32.5Very low31.8Very low185 Ų185142.1 Ų142.180%0.80472%0.723SS**  trans68.1101.6156.2-67.7172.2178.6-177.60118
606Q31.2Very low32Very low188 Ų188141.9 Ų141.988%0.87972%0.716SS**  62.5101.387.5-86.3176.3-25.100113.9
607D29.2Very low32.5Very low144 Ų144140.8 Ų140.877%0.7771%0.71SS**  trans-138.3113.5149-157.2-12.1000110G609D607-G609 VanDerWaalsContact C-N 3.31Å; D607-G609 PolarHBondContact O-N 2.94Å
608P35Very low32.7Very low114 Ų114141.2 Ų141.274%0.7470%0.704SS**THydrogen-bonded Turntrans-77.91-172.4-11.928.2000116
609G36.4Very low33Very low45 Ų45140.7 Ų140.746%0.46470%0.702SS.*THydrogen-bonded Turntrans-76.3-31.6-175.300000115.5D607 H611D607-G609 VanDerWaalsContact C-N 3.31Å; D607-G609 PolarHBondContact O-N 2.94Å; G609-H611 PolarHBondContact O-N 2.89Å
610L35.3Very low33Very low120 Ų120146 Ų14663%0.62871%0.709SS**Hα-helixtrans-80-21.2-169.6-161.463.7000113.5I614L610-I614 HydrophobicContact CG-CD1 4.09Å; L610-I614 WeakPolarHBondContact O-CG1 3.04Å; L610-I614 PolarHBondContact O-N 3.46Å
611H35.2Very low33.3Very low141 Ų141140.9 Ų140.965%0.65370%0.703SS**Hα-helixtrans-79.7-16.4-178.1-149.4-63.2000113.6G609G609-H611 PolarHBondContact O-N 2.89Å
612R36.8Very low33.3Very low210 Ų210139.4 Ų139.479%0.79270%0.701SS**Hα-helixtrans-84-29.6171.7-86.3-175.2177-177.40.3113Q616R612-Q616 PolarHBondContact O-N 3.43Å
613I41.2Very low33.2Very low97 Ų97143.1 Ų143.150%0.49771%0.705SS.*Hα-helixtrans-78.1-35.9178.1-61.1175.2000110.7Q616 I617I613-Q616 PolarHBondContact O-N 2.9Å; I613-I617 HydrophobicContact CG2-CD1 3.83Å; I613-I617 VanDerWaalsContact O-CG1 3.3Å; I613-I617 WeakPolarHBondContact O-CG1 3.11Å; I613-I617 PolarHBondContact O-N 3.02Å; I613-I617 VanDerWaalsContact O-N 3.1Å
614I38Very low33.3Very low84 Ų84139.8 Ų139.843%0.43171%0.706SS.*Hα-helixtrans-71.6-28.4175.8-66.4173.4000112.6L610 K618L610-I614 HydrophobicContact CG-CD1 4.09Å; L610-I614 WeakPolarHBondContact O-CG1 3.04Å; L610-I614 PolarHBondContact O-N 3.46Å; I614-K618 PolarHBondContact O-N 3.16Å
615E36.1Very low33.2Very low105 Ų105145.2 Ų145.249%0.49171%0.712SS.*Hα-helixtrans-78.5-32.8173-82.4-79.5132.700112.7
616Q35.5Very low32.8Very low152 Ų152141.7 Ų141.771%0.7171%0.709SS**Hα-helixtrans-73.9-28.8174.5-76.9-167.2-14.200113.5R612 I613R612-Q616 PolarHBondContact O-N 3.43Å; I613-Q616 PolarHBondContact O-N 2.9Å
617I36.7Very low32.6Very low114 Ų114138.5 Ų138.559%0.58571%0.706SS**Hα-helixtrans-78.9-26176.7-66.7170.5000111.9I613 L619I613-I617 HydrophobicContact CG2-CD1 3.83Å; I613-I617 VanDerWaalsContact O-CG1 3.3Å; I613-I617 WeakPolarHBondContact O-CG1 3.11Å; I613-I617 PolarHBondContact O-N 3.02Å; I613-I617 VanDerWaalsContact O-N 3.1Å; I617-L619 VanDerWaalsContact C-N 3.25Å; I617-L619 PolarHBondContact O-N 3.46Å
618K32.7Very low32.7Very low157 Ų157139.7 Ų139.768%0.68371%0.711SS**THydrogen-bonded Turntrans-75.3-6172.6-90.3177.1176.1170.50115I614I614-K618 PolarHBondContact O-N 3.16Å
619L33.1Very low32.3Very low145 Ų145139.6 Ų139.676%0.75970%0.704SS**THydrogen-bonded Turntrans-99.91.6-179.4-100.2149.9000114.7I617I617-L619 VanDerWaalsContact C-N 3.25Å; I617-L619 PolarHBondContact O-N 3.46Å
620R30.6Very low32.1Very low234 Ų234141 Ų14188%0.88371%0.705SS**SBendtrans-113.37.3179.9-80.1-170.9176-178.80.1116.4
621V30.6Very low31.8Very low119 Ų119143.4 Ų143.472%0.72172%0.717SS**  trans-122.373.8179.3-167.70000110.5
622N28.5Very low31.4Very low151 Ų151145.4 Ų145.481%0.80772%0.724SS**  trans-154.953.8168.1-95.7-32.6000110.1
623H28.7Very low31Very low191 Ų191142.1 Ų142.188%0.88472%0.717SS**  trans-152.483.2167.2-82.595.8000108.9
624C27.2Very low30.3Very low134 Ų134145 Ų14591%0.90573%0.732SS**  trans-169136.2140.2-133.70000111.3
625Y27.1Very low29.7Very low219 Ų219147.9 Ų147.986%0.85975%0.748SS**  trans-79.5155.1179.2-101.2-111.3000111.4
626C24.9Very low29.3Very low112 Ų112149.6 Ų149.676%0.75776%0.759SS**  trans77.8134160-71.30000119.4
627C25.5Very low28.8Very low120 Ų120147.7 Ų147.781%0.81176%0.763SS**  trans77.6120.1163.9-590000117.5
628I31.1Very low28.4Very low170 Ų170150.2 Ų150.287%0.87278%0.777SS**  -172.2115125.4-86.1148.9000108.1
629L27.3Very low28.1Very low111 Ų111148.9 Ų148.958%0.58178%0.777SS**  trans-58156.7162.5-93.193.6000110.1
630P32Very low27.9Very low75 Ų75149.4 Ų149.449%0.48778%0.781SS.*  -157.4156.696.434.2-11.8000118.7Y278Y278-P630 PolarHBondContact OH-O 3.01Å
631L29.4Very low27.9Very low171 Ų171144.9 Ų144.990%0.89577%0.774SS**  trans56.1118.9136.8-69155.4000120.7
632K26.1Very low28Very low182 Ų182146.4 Ų146.479%0.79178%0.778SS**  trans-99.2141.3174-121.4-177.3179.2-1730109.3
633H28.4Very low28Very low141 Ų141146.7 Ų146.765%0.65378%0.78SS**  trans66.696.1159.2-65.8-75.7000119.7
634I27.7Very low28Very low157 Ų157143.5 Ų143.581%0.80578%0.776SS**  trans-124113137.1-67.4176.8000106.8I636I634-I636 HydrophobicContact CG2-CD1 4.38Å; I634-I636 HydrophobicContact CG2-CG1 4.15Å
635N24.7Very low28.1Very low145 Ų145143.9 Ų143.978%0.77577%0.774SS**  trans-79.8125.5170.4-83.6-22.9000108.5
636I28.1Very low28.1Very low141 Ų141141.7 Ų141.772%0.72377%0.772SS**  trans-129.1114.3159.5-62.8177.3000107.1I634I634-I636 HydrophobicContact CG2-CD1 4.38Å; I634-I636 HydrophobicContact CG2-CG1 4.15Å
637S23.8Very low28.2Very low113 Ų113147.7 Ų147.779%0.7978%0.78SS**  trans-69.4130169.547.60000109.4
638L29.2Very low28.4Very low166 Ų166150 Ų15087%0.86978%0.779SS**  trans-124110.1161.7-88.5162.7000108.8
639N25.9Very low28.1Very low130 Ų130147.6 Ų147.670%0.69578%0.778SS**  trans-54.8133.5177.1-159.412.4000111.2
640N29.7Very low28.1Very low155 Ų155148 Ų14883%0.82979%0.789SS**  trans-136103.9164.1-101.8-10.5000109N642N640-N642 PolarHBondContact O-N 3.27Å
641N30.8Very low27.8Very low139 Ų139149.6 Ų149.674%0.74380%0.803SS**  trans-59.9123.9170.2-73.2-27.8000110.4
642N31Very low27.9Very low151 Ų151147.7 Ų147.781%0.80780%0.798SS**  trans-108.2114.5162.1-78.1-31.2000108N640N640-N642 PolarHBondContact O-N 3.27Å
643N29.4Very low28Very low158 Ų158144.5 Ų144.585%0.84579%0.794SS**PPolyproline II helixtrans-103.7126.4160.4-88.9-9000108.3
644P28.6Very low28.2Very low123 Ų123144.7 Ų144.780%0.79980%0.8SS**PPolyproline II helixtrans-101.5118.216832.7-21.7000110.1
645T29.7Very low28.5Very low142 Ų142141.9 Ų141.987%0.87179%0.794SS**PPolyproline II helixtrans-91.3124.7170.215.40000111
646Q27.6Very low28.9Very low173 Ų173144 Ų14481%0.80880%0.797SS**PPolyproline II helixtrans-62.8143.7174.2-77.4166.7-55.800112.7
647Y25.8Very low29.1Very low238 Ų238144 Ų14493%0.93380%0.797SS**  trans-105.7118.4153.5-97.1-90.5000108.2
648Q29.5Very low29.6Very low168 Ų168146 Ų14679%0.78580%0.797SS**  trans-108129.6163.4-103.3178.3-19.800108.5
649S25Very low29.8Very low121 Ų121148.8 Ų148.885%0.84680%0.796SS**  trans-80.6132.8171.238.90000110.9
650S28.3Very low30.2Very low118 Ų118147.1 Ų147.183%0.82579%0.794SS**  trans-148.4119.4163.6-49.30000109.5
651S25.4Very low30.4Very low110 Ų110146.4 Ų146.477%0.76979%0.791SS**  trans-73.2141.7173.446.50000112.4
652T31.3Very low30.7Very low131 Ų131145.7 Ų145.780%0.80479%0.787SS**  trans179.7113.5134.820.20000113.5
653T28Very low30.9Very low115 Ų115145.6 Ų145.671%0.70679%0.786SS**  trans37.8134.4133.845.40000125.1
654N33.4Very low30.9Very low144 Ų144142.4 Ų142.477%0.7778%0.776SS**  trans113.4100.4132.3-76.2-13.9000121.8
655S32.2Very low31.2Very low98 Ų98143 Ų14369%0.68577%0.773SS**  59.1129.8115.868.40000124.7
656K33.4Very low31.3Very low191 Ų191143.5 Ų143.583%0.8377%0.77SS**  154.9108.9128.2-89.2175.9176.6177.20110.2
657I33.7Very low31.5Very low141 Ų141141.9 Ų141.972%0.72377%0.767SS**  62.5126.880.5-54.6174.2000115.2
658I34.4Very low31.9Very low154 Ų154140.7 Ų140.779%0.7976%0.762SS**  trans165.4106.3132-80.4156.2000107.4
659R31.9Very low32.3Very low225 Ų225139.8 Ų139.885%0.84976%0.761SS**  61.1138.389.7-79.1-172.1-168.2-177.14113.3
660S34.9Very low32.8Very low95 Ų95138 Ų13866%0.66474%0.742SS**  cis-179.1154.425.936.30000111.8
661N34.2Very low33.3Very low140 Ų140137.5 Ų137.575%0.74973%0.733SS**  trans62.4148.1136.2-76.434.2000120
662D36.7Very low34Very low123 Ų123140.1 Ų140.166%0.65873%0.733SS**  cis-160.1159.823.5-101.9-26.7000112.6
663N35Very low34.1Very low150 Ų150141.4 Ų141.480%0.80273%0.725SS**  trans90.1130.6142.8-67.4-16.9000123.8
664S29.7Very low34.6Very low91 Ų91139.8 Ų139.864%0.63671%0.712SS**  trans-83158.8-173.457.10000112.8
665D34Very low34.9Very low136 Ų136139.6 Ų139.673%0.72771%0.706SS**  153.794.2126.9-76.4-10.2000108.7
666N33Very low35.1Very low152 Ų152142.2 Ų142.281%0.81371%0.706SS**  trans-177.151.8146.8-88.4-37.4000109.7Y668N666-Y668 PolarHBondContact O-N 3.5Å
667D32.4Very low35.2Very low139 Ų139138.9 Ų138.974%0.74369%0.691SS**THydrogen-bonded Turntrans-85.179.2170-90.6-26.7000109.8
668Y33.2Very low35.5Very low212 Ų212136.6 Ų136.683%0.83168%0.684SS**THydrogen-bonded Turntrans-146.9-5.7159.8-152.6-102000115.1N666N666-Y668 PolarHBondContact O-N 3.5Å
669I37Very low35.5Very low150 Ų150138 Ų13877%0.76968%0.684SS**SBendtrans-113.5-8.7178.5-60.1-174.2000112.4
670I36.7Very low35.8Very low84 Ų84134.7 Ų134.743%0.43168%0.678SS.*Hα-helixtrans-88.3-14.8-170.8-67.1178000112.9N674I670-N674 WeakPolarHBondContact CG2-ND2 3.47Å; I670-N674 WeakPolarHBondContact O-CB 3.37Å; I670-N674 PolarHBondContact O-N 3.1Å; I670-N674 VanDerWaalsContact O-N 3.16Å; I670-N674 PolarHBondContact O-ND2 3.28Å
671T39.1Very low36Very low106 Ų106136.6 Ų136.665%0.6568%0.681SS**Hα-helixtrans-77.3-26.4-174.4-23.90000113.5
672E39.3Very low36.2Very low165 Ų165138.7 Ų138.777%0.77168%0.683SS**Hα-helixtrans-91.9-31.1177.3-135176.917500112.6Q675 F676E672-Q675 PolarHBondContact O-N 2.97Å; E672-F676 PolarHBondContact O-N 3.39Å
673Y34.8Very low36.5Very low158 Ų158137.9 Ų137.962%0.6268%0.679SS**Hα-helixtrans-71.3-34.5175-162.3-106.4000112.3F676 K677Y673-F676 PolarHBondContact O-N 3.46Å; Y673-K677 HydrophobicContact CE1-CD 4.13Å; Y673-K677 WeakPolarHBondContact O-CB 3.35Å; Y673-K677 PolarHBondContact O-N 3.43Å
674N37.7Very low37Very low82 Ų82133.1 Ų133.144%0.43966%0.657SS.*Hα-helixtrans-74.8-23.2176.7-76.6-21.6000113.4I670 T678I670-N674 WeakPolarHBondContact CG2-ND2 3.47Å; I670-N674 WeakPolarHBondContact O-CB 3.37Å; I670-N674 PolarHBondContact O-N 3.1Å; I670-N674 VanDerWaalsContact O-N 3.16Å; I670-N674 PolarHBondContact O-ND2 3.28Å; N674-T678 WeakPolarHBondContact O-CB 3.49Å; N674-T678 VanDerWaalsContact O-CG2 3.24Å; N674-T678 WeakPolarHBondContact O-CG2 3.47Å; N674-T678 PolarHBondContact O-N 2.94Å; N674-T678 VanDerWaalsContact O-N 3.13Å; N674-T678 PolarHBondContact O-OG1 3.44Å
675Q39.8Very low38.2Very low140 Ų140135 Ų13565%0.65466%0.659SS**Hα-helixtrans-77.3-30.2170.5-87.4-173.6-12.200113.1E672 T678 K679E672-Q675 PolarHBondContact O-N 2.97Å; Q675-T678 WeakPolarHBondContact CA-OG1 3.48Å; Q675-T678 PolarHBondContact O-OG1 2.84Å; Q675-K679 PolarHBondContact O-N 3.38Å
676F35.2Very low39.1Very low153 Ų153136 Ų13667%0.67166%0.657SS**Hα-helixtrans-78-35.6173.6-128.1-92000112.6E672 Y673 K679 H680E672-F676 PolarHBondContact O-N 3.39Å; Y673-F676 PolarHBondContact O-N 3.46Å; F676-K679 PolarHBondContact O-N 2.93Å; F676-H680 PolarHBondContact O-N 2.97Å
677K36.6Very low40.2Very low120 Ų120132.1 Ų132.152%0.52264%0.636SS.*Hα-helixtrans-74.8-24.1176.3-150.2173.5-172.8-1790113.2Y673 N681Y673-K677 HydrophobicContact CE1-CD 4.13Å; Y673-K677 WeakPolarHBondContact O-CB 3.35Å; Y673-K677 PolarHBondContact O-N 3.43Å; K677-N681 WeakPolarHBondContact O-CB 3.5Å; K677-N681 PolarHBondContact O-N 2.71Å
678T39.7Very low41.3Very low93 Ų93131.8 Ų131.857%0.57163%0.628SS**Hα-helixtrans-84.7-14.817151.10000113.9N674 Q675N674-T678 WeakPolarHBondContact O-CB 3.49Å; N674-T678 VanDerWaalsContact O-CG2 3.24Å; N674-T678 WeakPolarHBondContact O-CG2 3.47Å; N674-T678 PolarHBondContact O-N 2.94Å; N674-T678 VanDerWaalsContact O-N 3.13Å; N674-T678 PolarHBondContact O-OG1 3.44Å; Q675-T678 WeakPolarHBondContact CA-OG1 3.48Å; Q675-T678 PolarHBondContact O-OG1 2.84Å
679K34.6Very low42.3Very low184 Ų184128.4 Ų128.480%0.862%0.615SS**Hα-helixtrans-85.3-22.6168.3-113175.8178.5175.40113.9Q675 F676Q675-K679 PolarHBondContact O-N 3.38Å; F676-K679 PolarHBondContact O-N 2.93Å
680H38.8Very low43.4Very low156 Ų156127.5 Ų127.572%0.72261%0.605SS**Hα-helixtrans-96.6-4.1175.2-104.6-82.8000115.7F676F676-H680 PolarHBondContact O-N 2.97Å
681N38.4Very low44.4Very low135 Ų135129.2 Ų129.272%0.72261%0.611SS**SBendtrans-103.916.1174-96-21.6000114.6K677K677-N681 WeakPolarHBondContact O-CB 3.5Å; K677-N681 PolarHBondContact O-N 2.71Å
682K37.8Very low45.5Very low184 Ų184130.1 Ų130.180%0.861%0.608SS**  trans-101.841164.8-85.9-175.9177.5176.30111.9S684K682-S684 PolarHBondContact O-N 3.16Å; K682-S684 VanDerWaalsContact O-N 3.12Å
683L42.6Very low46.6Very low106 Ų106126.8 Ų126.856%0.55560%0.596SS**SBendtrans-72.497.7144.9-136.987.2000104.4L685L683-L685 PolarHBondContact O-N 3.49Å
684S47.6Very low47.8Very low49 Ų49125.3 Ų125.334%0.34360%0.595SS.*  trans-46.1135.4-173.1178.90000109.4K682 K686 D687 K688K682-S684 PolarHBondContact O-N 3.16Å; K682-S684 VanDerWaalsContact O-N 3.12Å; S684-K686 PolarHBondContact O-N 3.27Å; S684-K686 WeakPolarHBondContact OG-CB 3.48Å; S684-K686 PolarHBondContact OG-N 2.95Å; S684-D687 WeakPolarHBondContact CB-OD2 3.4Å; S684-D687 PolarHBondContact N-OD2 3.46Å; S684-D687 WeakPolarHBondContact O-CA 3.43Å; S684-D687 WeakPolarHBondContact O-CB 3.4Å; S684-D687 PolarHBondContact O-N 3.48Å; S684-K688 PolarHBondContact O-N 3.19Å
685L53.4Low49Very low132 Ų132127.3 Ų127.369%0.69160%0.601SS**Hα-helixtrans-44.9-33.2166.6-101.8147.3000110.2L683 D687 K688 Y689L683-L685 PolarHBondContact O-N 3.49Å; L685-D687 PolarHBondContact O-N 2.96Å; L685-K688 PolarHBondContact O-N 3.42Å; L685-Y689 HydrophobicContact CD2-CD2 4.22Å; L685-Y689 HydrophobicContact CD2-CE2 3.94Å; L685-Y689 WeakPolarHBondContact O-CB 3.3Å; L685-Y689 VanDerWaalsContact O-CD2 3.27Å; L685-Y689 WeakPolarHBondContact O-CD2 3.39Å; L685-Y689 PolarHBondContact O-N 2.93Å
686K53.8Low49.8Very low156 Ų156122.6 Ų122.668%0.67858%0.584SS**Hα-helixtrans-59.9-34.8173-146.4174.2-173.8177.70114.3S684 K690S684-K686 PolarHBondContact O-N 3.27Å; S684-K686 WeakPolarHBondContact OG-CB 3.48Å; S684-K686 PolarHBondContact OG-N 2.95Å; K686-K690 WeakPolarHBondContact O-CB 3.32Å; K686-K690 PolarHBondContact O-N 3.07Å
687D55.6Low51.1Low70 Ų70121.6 Ų121.637%0.37458%0.581SS.*Hα-helixtrans-78.3-38.5177.9-63.1-35.1000112.1S684 L685 K690 Q691S684-D687 WeakPolarHBondContact CB-OD2 3.4Å; S684-D687 PolarHBondContact N-OD2 3.46Å; S684-D687 WeakPolarHBondContact O-CA 3.43Å; S684-D687 WeakPolarHBondContact O-CB 3.4Å; S684-D687 PolarHBondContact O-N 3.48Å; L685-D687 PolarHBondContact O-N 2.96Å; D687-K690 PolarHBondContact O-N 2.9Å; D687-Q691 PolarHBondContact O-N 3.21Å
688K55.2Low51.9Low132 Ų132123.1 Ų123.157%0.57459%0.585SS**Hα-helixtrans-64.1-43.3170.3-77.8-173.8177.6179.70111.8S684 L685 Q691 Q692S684-K688 PolarHBondContact O-N 3.19Å; L685-K688 PolarHBondContact O-N 3.42Å; K688-Q691 PolarHBondContact O-N 2.89Å; K688-Q692 PolarHBondContact O-N 3.41Å
689Y53.7Low52.9Low142 Ų142124.6 Ų124.656%0.55758%0.58SS**Hα-helixtrans-64.2-37.7173-92-83000112.1L685 N693L685-Y689 HydrophobicContact CD2-CD2 4.22Å; L685-Y689 HydrophobicContact CD2-CE2 3.94Å; L685-Y689 WeakPolarHBondContact O-CB 3.3Å; L685-Y689 VanDerWaalsContact O-CD2 3.27Å; L685-Y689 WeakPolarHBondContact O-CD2 3.39Å; L685-Y689 PolarHBondContact O-N 2.93Å; Y689-N693 VanDerWaalsContact O-CB 3.32Å; Y689-N693 WeakPolarHBondContact O-CB 3.4Å; Y689-N693 PolarHBondContact O-N 3.48Å
690K60.7Low54.3Low130 Ų130122.1 Ų122.157%0.56557%0.569SS**Hα-helixtrans-63.7-45.1173.3-97.1-176.9173.1-1780112.3K686 D687 N693 Q694K686-K690 WeakPolarHBondContact O-CB 3.32Å; K686-K690 PolarHBondContact O-N 3.07Å; D687-K690 PolarHBondContact O-N 2.9Å; K690-N693 PolarHBondContact O-N 3.38Å; K690-Q694 WeakPolarHBondContact O-CB 3.41Å; K690-Q694 WeakPolarHBondContact O-CG 3.45Å; K690-Q694 PolarHBondContact O-N 2.87Å
691Q58Low55.4Low120 Ų120116.9 Ų116.956%0.56155%0.55SS*.Hα-helixtrans-65-42.7177.6-80.3-178.3-10.400112D687 K688 Q694 Q695D687-Q691 PolarHBondContact O-N 3.21Å; K688-Q691 PolarHBondContact O-N 2.89Å; Q691-Q694 PolarHBondContact O-N 3.43Å; Q691-Q695 WeakPolarHBondContact O-CB 3.45Å; Q691-Q695 PolarHBondContact O-N 2.9Å
692Q61.4Low56.7Low126 Ų126113 Ų11359%0.58953%0.529SS*.Hα-helixtrans-62.9-42173.9-83.7-176.6-12.800112.3K688 Q695 S696K688-Q692 PolarHBondContact O-N 3.41Å; Q692-Q695 PolarHBondContact O-N 3.32Å; Q692-S696 WeakPolarHBondContact O-CB 3.33Å; Q692-S696 PolarHBondContact O-N 2.92Å
693N63Low58.1Low94 Ų94108.3 Ų108.350%0.50351%0.512SS..Hα-helixtrans-64.4-44.3175.9-81-17.1000111.7Y689 K690 Q695 S696 E697Y689-N693 VanDerWaalsContact O-CB 3.32Å; Y689-N693 WeakPolarHBondContact O-CB 3.4Å; Y689-N693 PolarHBondContact O-N 3.48Å; K690-N693 PolarHBondContact O-N 3.38Å; N693-Q695 VanDerWaalsContact C-N 3.34Å; N693-Q695 PolarHBondContact O-N 2.99Å; N693-S696 PolarHBondContact O-N 2.95Å; N693-S696 PolarHBondContact O-OG 3.01Å; N693-E697 WeakPolarHBondContact O-CG 3.39Å; N693-E697 PolarHBondContact O-N 3.31Å
694Q61Low59.2Low128 Ų128107.7 Ų107.760%0.59851%0.509SS*.Hα-helixtrans-60.3-41.2174.9-77.8177.3-5.700112.3K690 Q691 E697 Y698K690-Q694 WeakPolarHBondContact O-CB 3.41Å; K690-Q694 WeakPolarHBondContact O-CG 3.45Å; K690-Q694 PolarHBondContact O-N 2.87Å; Q691-Q694 PolarHBondContact O-N 3.43Å; Q694-E697 PolarHBondContact O-N 2.95Å; Q694-Y698 WeakPolarHBondContact O-CB 3.43Å; Q694-Y698 PolarHBondContact O-N 2.92Å
695Q61.5Low59.8Low123 Ų123112.5 Ų112.558%0.57552%0.523SS*.Hα-helixtrans-70.2-34.3177.6-154.6167.919.600111.9Q691 Q692 N693 R699Q691-Q695 WeakPolarHBondContact O-CB 3.45Å; Q691-Q695 PolarHBondContact O-N 2.9Å; Q692-Q695 PolarHBondContact O-N 3.32Å; N693-Q695 VanDerWaalsContact C-N 3.34Å; N693-Q695 PolarHBondContact O-N 2.99Å; Q695-R699 WeakPolarHBondContact O-CG 3.37Å; Q695-R699 PolarHBondContact O-N 3.14Å
696S56.6Low60.2Low41 Ų41112.4 Ų112.429%0.28751%0.514SS..Hα-helixtrans-68.3-40173.487.10000112.4Q692 N693 R699 K700Q692-S696 WeakPolarHBondContact O-CB 3.33Å; Q692-S696 PolarHBondContact O-N 2.92Å; N693-S696 PolarHBondContact O-N 2.95Å; N693-S696 PolarHBondContact O-OG 3.01Å; S696-R699 PolarHBondContact O-N 3.39Å; S696-K700 WeakPolarHBondContact O-CB 3.07Å; S696-K700 VanDerWaalsContact O-CG 3.31Å; S696-K700 WeakPolarHBondContact O-CG 3.39Å; S696-K700 PolarHBondContact O-N 3.27Å
697E64.1Low60.9Low133 Ų133110 Ų11062%0.62151%0.505SS*.Hα-helixtrans-68.8-40.7176.1-76.2-170.916500111.2N693 Q694 K700 S701N693-E697 WeakPolarHBondContact O-CG 3.39Å; N693-E697 PolarHBondContact O-N 3.31Å; Q694-E697 PolarHBondContact O-N 2.95Å; E697-K700 PolarHBondContact O-N 3.44Å; E697-S701 WeakPolarHBondContact O-CB 3.17Å; E697-S701 PolarHBondContact O-N 2.7Å
698Y51.7Low61.4Low151 Ų151110.2 Ų110.259%0.59251%0.509SS*.Hα-helixtrans-60.3-46.3172.9-176.6-110.3000111.7Q694 S701 I702Q694-Y698 WeakPolarHBondContact O-CB 3.43Å; Q694-Y698 PolarHBondContact O-N 2.92Å; Y698-S701 PolarHBondContact O-N 3.17Å; Y698-S701 PolarHBondContact O-OG 3.08Å; Y698-I702 HydrophobicContact CD1-CD1 3.85Å; Y698-I702 HydrophobicContact CE1-CD1 3.37Å; Y698-I702 HydrophobicContact CE1-CG1 4.47Å; Y698-I702 HydrophobicContact CE2-CD1 4.23Å; Y698-I702 HydrophobicContact CG-CD1 4.47Å; Y698-I702 WeakPolarHBondContact O-CG1 3.31Å; Y698-I702 PolarHBondContact O-N 3.11Å
699R62.1Low61.9Low124 Ų124107.8 Ų107.847%0.46851%0.505SS..Hα-helixtrans-60.1-45.7174-77.7-178.7-179.1-154-5.6112.2Q236 Q695 S696 S701 I702 I703Q236-R699 VanDerWaalsContact CD-NH2 3.34Å; Q695-R699 WeakPolarHBondContact O-CG 3.37Å; Q695-R699 PolarHBondContact O-N 3.14Å; S696-R699 PolarHBondContact O-N 3.39Å; R699-S701 VanDerWaalsContact C-N 3.32Å; R699-S701 PolarHBondContact O-N 2.96Å; R699-I702 PolarHBondContact O-N 2.93Å; R699-I703 WeakPolarHBondContact O-CG1 3.44Å; R699-I703 PolarHBondContact O-N 3.28Å
700K63.9Low62.6Low132 Ų132105.1 Ų105.157%0.57450%0.497SS*.Hα-helixtrans-59.7-41.2174.8-75.2173.3-1781740111.5S696 E697 I702 I703 N704S696-K700 WeakPolarHBondContact O-CB 3.07Å; S696-K700 VanDerWaalsContact O-CG 3.31Å; S696-K700 WeakPolarHBondContact O-CG 3.39Å; S696-K700 PolarHBondContact O-N 3.27Å; E697-K700 PolarHBondContact O-N 3.44Å; K700-I702 PolarHBondContact O-N 3.37Å; K700-I703 PolarHBondContact O-N 3.25Å; K700-N704 WeakPolarHBondContact O-CB 3.31Å; K700-N704 VanDerWaalsContact O-CG 3.22Å; K700-N704 PolarHBondContact O-N 2.99Å
701S61.2Low62.9Low46 Ų46102 Ų10232%0.32249%0.491SS..Hα-helixtrans-63.1-39.8177.885.80000112.5E697 Y698 R699 K705E697-S701 WeakPolarHBondContact O-CB 3.17Å; E697-S701 PolarHBondContact O-N 2.7Å; Y698-S701 PolarHBondContact O-N 3.17Å; Y698-S701 PolarHBondContact O-OG 3.08Å; R699-S701 VanDerWaalsContact C-N 3.32Å; R699-S701 PolarHBondContact O-N 2.96Å; S701-K705 WeakPolarHBondContact O-CB 3.27Å; S701-K705 WeakPolarHBondContact O-CG 3.32Å; S701-K705 PolarHBondContact O-N 3.07Å
702I65.3Low63.4Low54 Ų54100.7 Ų100.728%0.27749%0.487SS..Hα-helixtrans-68.3-44.6176.6-69.6170.9000110.8Y698 R699 K700 K705 R706Y698-I702 HydrophobicContact CD1-CD1 3.85Å; Y698-I702 HydrophobicContact CE1-CD1 3.37Å; Y698-I702 HydrophobicContact CE1-CG1 4.47Å; Y698-I702 HydrophobicContact CE2-CD1 4.23Å; Y698-I702 HydrophobicContact CG-CD1 4.47Å; Y698-I702 WeakPolarHBondContact O-CG1 3.31Å; Y698-I702 PolarHBondContact O-N 3.11Å; R699-I702 PolarHBondContact O-N 2.93Å; K700-I702 PolarHBondContact O-N 3.37Å; I702-K705 PolarHBondContact O-N 3.35Å; I702-R706 HydrophobicContact CG2-CG 4.44Å; I702-R706 WeakPolarHBondContact O-CB 3.3Å; I702-R706 VanDerWaalsContact O-CG 3.28Å; I702-R706 WeakPolarHBondContact O-CG 3.26Å; I702-R706 PolarHBondContact O-N 2.75Å
703I66.8Low63.8Low86 Ų8698 Ų9844%0.44147%0.474SS..Hα-helixtrans-61.9-45.3177.7-67.6166.5000110.3R699 K700 R706 Q707R699-I703 WeakPolarHBondContact O-CG1 3.44Å; R699-I703 PolarHBondContact O-N 3.28Å; K700-I703 PolarHBondContact O-N 3.25Å; I703-R706 WeakPolarHBondContact O-CB 3.36Å; I703-R706 PolarHBondContact O-N 2.99Å; I703-Q707 HydrophobicContact CG2-CG 4.47Å; I703-Q707 WeakPolarHBondContact O-CG 3.31Å; I703-Q707 PolarHBondContact O-N 3.34Å
704N65.5Low63.9Low92 Ų9296.8 Ų96.849%0.49247%0.465SS..Hα-helixtrans-60.7-49.5176.6-72.5-9.5000111K700 R706 Q707 T708K700-N704 WeakPolarHBondContact O-CB 3.31Å; K700-N704 VanDerWaalsContact O-CG 3.22Å; K700-N704 PolarHBondContact O-N 2.99Å; N704-R706 VanDerWaalsContact C-N 3.29Å; N704-R706 PolarHBondContact O-N 3.08Å; N704-Q707 PolarHBondContact O-N 2.97Å; N704-Q707 VanDerWaalsContact O-N 3.17Å; N704-T708 PolarHBondContact O-N 3.36Å; N704-T708 PolarHBondContact O-OG1 3.46Å
705K61.9Low64.3Low150 Ų15093.3 Ų93.365%0.65246%0.455SS*.Hα-helixtrans-57-39.9175.5-79.2-178.8178.1179.70112.6S701 I702 T709S701-K705 WeakPolarHBondContact O-CB 3.27Å; S701-K705 WeakPolarHBondContact O-CG 3.32Å; S701-K705 PolarHBondContact O-N 3.07Å; I702-K705 PolarHBondContact O-N 3.35Å; K705-T709 WeakPolarHBondContact O-CB 3.24Å; K705-T709 PolarHBondContact O-N 3.49Å; K705-T709 PolarHBondContact O-OG1 3.47Å
706R61.4Low64.6Low130 Ų13092 Ų9249%0.49145%0.451SS..Hα-helixtrans-65.1-45.3176-75.7175.4176.7-170.1-1.7111.9I702 I703 N704 T709 F710I702-R706 HydrophobicContact CG2-CG 4.44Å; I702-R706 WeakPolarHBondContact O-CB 3.3Å; I702-R706 VanDerWaalsContact O-CG 3.28Å; I702-R706 WeakPolarHBondContact O-CG 3.26Å; I702-R706 PolarHBondContact O-N 2.75Å; I703-R706 WeakPolarHBondContact O-CB 3.36Å; I703-R706 PolarHBondContact O-N 2.99Å; N704-R706 VanDerWaalsContact C-N 3.29Å; N704-R706 PolarHBondContact O-N 3.08Å; R706-T709 PolarHBondContact O-N 2.9Å; R706-F710 WeakPolarHBondContact O-CB 3.32Å; R706-F710 PolarHBondContact O-N 3.14Å
707Q68.1Low65Low107 Ų10791.2 Ų91.250%0.545%0.446SS..Hα-helixtrans-63.3-42177-74.5179.2-6.300111.8I703 N704 F710 S711I703-Q707 HydrophobicContact CG2-CG 4.47Å; I703-Q707 WeakPolarHBondContact O-CG 3.31Å; I703-Q707 PolarHBondContact O-N 3.34Å; N704-Q707 PolarHBondContact O-N 2.97Å; N704-Q707 VanDerWaalsContact O-N 3.17Å; Q707-F710 PolarHBondContact O-N 3.37Å; Q707-S711 WeakPolarHBondContact O-CB 3.48Å; Q707-S711 PolarHBondContact O-N 3.39Å; Q707-S711 PolarHBondContact O-OG 3.14Å
708T66.9Low65.1Low74 Ų7488 Ų8845%0.45443%0.433SS..Hα-helixtrans-64.5-41.7175.6-43.50000111.7N704 F710 S711 I712N704-T708 PolarHBondContact O-N 3.36Å; N704-T708 PolarHBondContact O-OG1 3.46Å; T708-F710 VanDerWaalsContact C-N 3.35Å; T708-F710 PolarHBondContact O-N 3.26Å; T708-S711 WeakPolarHBondContact CA-OG 3.44Å; T708-S711 PolarHBondContact O-N 2.97Å; T708-S711 PolarHBondContact O-OG 3.06Å; T708-I712 HydrophobicContact CG2-CD1 4.13Å; T708-I712 VanDerWaalsContact O-CG1 3.26Å; T708-I712 WeakPolarHBondContact O-CG1 3.37Å; T708-I712 PolarHBondContact O-N 2.92Å
709T64.8Low65.8Low81 Ų8184.9 Ų84.950%0.49743%0.425SS..Hα-helixtrans-64.7-41.5177.3-53.60000111.1K705 R706 F713K705-T709 WeakPolarHBondContact O-CB 3.24Å; K705-T709 PolarHBondContact O-N 3.49Å; K705-T709 PolarHBondContact O-OG1 3.47Å; R706-T709 PolarHBondContact O-N 2.9Å; T709-F713 WeakPolarHBondContact O-CB 3.37Å; T709-F713 PolarHBondContact O-N 3.49Å
710F69Low65.9Low85 Ų8582.2 Ų82.237%0.37342%0.421SS..Hα-helixtrans-65.4-41.9176.2-178.5-105.9000112.3L218 L222 R706 Q707 T708 F713 Q714L218-F710 HydrophobicContact CD1-CE2 4.49Å; L222-F710 HydrophobicContact CD1-CE2 3.99Å; L222-F710 HydrophobicContact CD2-CD2 3.69Å; L222-F710 HydrophobicContact CD2-CE2 3.45Å; L222-F710 VanDerWaalsContact CD2-CE2 3.45Å; L222-F710 HydrophobicContact CD2-CZ 4.45Å; L222-F710 HydrophobicContact CG-CE2 4.26Å; R706-F710 WeakPolarHBondContact O-CB 3.32Å; R706-F710 PolarHBondContact O-N 3.14Å; Q707-F710 PolarHBondContact O-N 3.37Å; T708-F710 VanDerWaalsContact C-N 3.35Å; T708-F710 PolarHBondContact O-N 3.26Å; F710-F713 PolarHBondContact O-N 3.14Å; F710-Q714 WeakPolarHBondContact O-CB 3.47Å; F710-Q714 PolarHBondContact O-N 3.08Å
711S67.4Low65.8Low64 Ų6478.5 Ų78.545%0.44841%0.406SS..Hα-helixtrans-66.6-40178.268.10000112.2Q707 T708 Q714 S715Q707-S711 WeakPolarHBondContact O-CB 3.48Å; Q707-S711 PolarHBondContact O-N 3.39Å; Q707-S711 PolarHBondContact O-OG 3.14Å; T708-S711 WeakPolarHBondContact CA-OG 3.44Å; T708-S711 PolarHBondContact O-N 2.97Å; T708-S711 PolarHBondContact O-OG 3.06Å; S711-Q714 PolarHBondContact O-N 3.03Å; S711-S715 WeakPolarHBondContact O-CB 3.46Å; S711-S715 PolarHBondContact O-N 2.8Å
712I68.4Low66Low93 Ų9381.9 Ų81.948%0.47742%0.417SS..Hα-helixtrans-61.8-48.7172.7-68.1167.3000110T708 Q714 S715 L716T708-I712 HydrophobicContact CG2-CD1 4.13Å; T708-I712 VanDerWaalsContact O-CG1 3.26Å; T708-I712 WeakPolarHBondContact O-CG1 3.37Å; T708-I712 PolarHBondContact O-N 2.92Å; I712-Q714 VanDerWaalsContact C-N 3.33Å; I712-Q714 PolarHBondContact O-N 3.43Å; I712-S715 PolarHBondContact O-N 2.86Å; I712-S715 VanDerWaalsContact O-N 3.16Å; I712-S715 PolarHBondContact O-OG 3.28Å; I712-L716 HydrophobicContact CG2-CD1 4.05Å; I712-L716 HydrophobicContact CG2-CG 4.47Å; I712-L716 WeakPolarHBondContact O-CG 3.24Å; I712-L716 PolarHBondContact O-N 3.08Å
713F69.7Low65.9Low70 Ų7084 Ų8431%0.30743%0.428SS..Hα-helixtrans-59.4-45.3177.8-170-75.3000111.7L218 T709 F710 S715 L716 S717L218-F713 HydrophobicContact CB-CD1 4.23Å; L218-F713 HydrophobicContact CB-CE1 3.38Å; L218-F713 HydrophobicContact CB-CZ 3.59Å; L218-F713 HydrophobicContact CD1-CD1 3.25Å; L218-F713 HydrophobicContact CD1-CD2 4.45Å; L218-F713 HydrophobicContact CD1-CE1 3.36Å; L218-F713 HydrophobicContact CD1-CE2 4.47Å; L218-F713 HydrophobicContact CD1-CG 3.87Å; L218-F713 HydrophobicContact CD1-CZ 3.97Å; L218-F713 HydrophobicContact CD2-CD1 3.67Å; L218-F713 HydrophobicContact CD2-CE1 3.39Å; L218-F713 HydrophobicContact CD2-CZ 4.45Å; L218-F713 HydrophobicContact CG-CD1 3.83Å; L218-F713 HydrophobicContact CG-CE1 3.47Å; L218-F713 VanDerWaalsContact CG-CE1 3.47Å; L218-F713 HydrophobicContact CG-CZ 4.14Å; T709-F713 WeakPolarHBondContact O-CB 3.37Å; T709-F713 PolarHBondContact O-N 3.49Å; F710-F713 PolarHBondContact O-N 3.14Å; F713-S715 VanDerWaalsContact C-N 3.3Å; F713-S715 PolarHBondContact O-N 2.64Å; F713-L716 PolarHBondContact O-N 2.63Å; F713-S717 WeakPolarHBondContact O-CB 3.3Å; F713-S717 PolarHBondContact O-N 3.4Å; F713-S717 PolarHBondContact O-OG 2.81Å
714Q65.5Low65.9Low69 Ų6981.8 Ų81.832%0.32242%0.415SS..Hα-helixtrans-59.7-42.7177.3-171.465.34400110.8F710 S711 I712 S717 N718F710-Q714 WeakPolarHBondContact O-CB 3.47Å; F710-Q714 PolarHBondContact O-N 3.08Å; S711-Q714 PolarHBondContact O-N 3.03Å; I712-Q714 VanDerWaalsContact C-N 3.33Å; I712-Q714 PolarHBondContact O-N 3.43Å; Q714-S717 PolarHBondContact O-N 3.47Å; Q714-S717 PolarHBondContact O-OG 3.07Å; Q714-N718 PolarHBondContact NE2-OD1 3.34Å; Q714-N718 WeakPolarHBondContact O-CB 3.28Å; Q714-N718 PolarHBondContact O-N 3.05Å; Q714-N718 PolarHBondContact O-ND2 3.47Å
715S67.9Low65.9Low55 Ų5580.8 Ų80.839%0.38541%0.406SS..Hα-helixtrans-62.7-44.8176.976.60000112.7S711 I712 F713 N718 I719S711-S715 WeakPolarHBondContact O-CB 3.46Å; S711-S715 PolarHBondContact O-N 2.8Å; I712-S715 PolarHBondContact O-N 2.86Å; I712-S715 VanDerWaalsContact O-N 3.16Å; I712-S715 PolarHBondContact O-OG 3.28Å; F713-S715 VanDerWaalsContact C-N 3.3Å; F713-S715 PolarHBondContact O-N 2.64Å; S715-N718 WeakPolarHBondContact O-CB 3.47Å; S715-N718 PolarHBondContact O-N 2.99Å; S715-I719 WeakPolarHBondContact O-CG1 3.44Å; S715-I719 PolarHBondContact O-N 2.59Å
716L67.9Low66.2Low95 Ų9579.7 Ų79.750%0.49740%0.403SS..Hα-helixtrans-63.3-43.3175.7-69.6172.2000111.2I712 F713 N718 I719 D720I712-L716 HydrophobicContact CG2-CD1 4.05Å; I712-L716 HydrophobicContact CG2-CG 4.47Å; I712-L716 WeakPolarHBondContact O-CG 3.24Å; I712-L716 PolarHBondContact O-N 3.08Å; F713-L716 PolarHBondContact O-N 2.63Å; L716-N718 VanDerWaalsContact C-N 3.28Å; L716-N718 PolarHBondContact O-N 3.03Å; L716-I719 PolarHBondContact O-N 3.33Å; L716-D720 WeakPolarHBondContact O-CB 3.27Å; L716-D720 PolarHBondContact O-N 3.47Å
717S65.5Low66.5Low24 Ų2474.1 Ų74.117%0.16838%0.384CS..Hα-helixtrans-62.6-36.417780.20000112.2F713 Q714 M721F713-S717 WeakPolarHBondContact O-CB 3.3Å; F713-S717 PolarHBondContact O-N 3.4Å; F713-S717 PolarHBondContact O-OG 2.81Å; Q714-S717 PolarHBondContact O-N 3.47Å; Q714-S717 PolarHBondContact O-OG 3.07Å; S717-M721 VanDerWaalsContact O-CB 3.24Å; S717-M721 WeakPolarHBondContact O-CB 3.39Å; S717-M721 PolarHBondContact O-N 2.8Å
718N66.1Low66.7Low66 Ų6671.5 Ų71.535%0.35338%0.378SS..Hα-helixtrans-69.3-42.1176.4-72.4-18.4000111.3Q714 S715 L716 M721 Q722Q714-N718 PolarHBondContact NE2-OD1 3.34Å; Q714-N718 WeakPolarHBondContact O-CB 3.28Å; Q714-N718 PolarHBondContact O-N 3.05Å; Q714-N718 PolarHBondContact O-ND2 3.47Å; S715-N718 WeakPolarHBondContact O-CB 3.47Å; S715-N718 PolarHBondContact O-N 2.99Å; L716-N718 VanDerWaalsContact C-N 3.28Å; L716-N718 PolarHBondContact O-N 3.03Å; N718-M721 PolarHBondContact O-N 3.13Å; N718-Q722 WeakPolarHBondContact O-CG 3.21Å; N718-Q722 PolarHBondContact O-N 2.49Å
719I67.5Low66.9Low85 Ų8573.1 Ų73.144%0.43638%0.378SS..Hα-helixtrans-62.2-48.2175.1-68.2164.4000110.3S715 L716 M721 Q722 N723S715-I719 WeakPolarHBondContact O-CG1 3.44Å; S715-I719 PolarHBondContact O-N 2.59Å; L716-I719 PolarHBondContact O-N 3.33Å; I719-M721 VanDerWaalsContact C-N 3.26Å; I719-M721 PolarHBondContact O-N 3.35Å; I719-Q722 PolarHBondContact O-N 3.01Å; I719-N723 PolarHBondContact O-N 3.26Å; I719-N723 PolarHBondContact O-ND2 2.87Å
720D63.1Low67.2Low69 Ų6970.2 Ų70.237%0.36936%0.362SS..Hα-helixtrans-60.6-37.4175.8-80.3-15.6000111.7L716 R724L716-D720 WeakPolarHBondContact O-CB 3.27Å; L716-D720 PolarHBondContact O-N 3.47Å; D720-R724 WeakPolarHBondContact O-CB 3.34Å; D720-R724 VanDerWaalsContact O-CG 3.25Å; D720-R724 WeakPolarHBondContact O-CG 3.28Å; D720-R724 PolarHBondContact O-N 2.75Å; D720-R724 PolarHBondContact O-NE 3.46Å
721M62.9Low67.9Low53 Ų5367.3 Ų67.326%0.26135%0.351SS..Hα-helixtrans-67.9-41.2176.5-172174.678.100112.2Y276 S717 N718 I719 R724 K725Y276-M721 HydrophobicContact CE2-SD 3.93Å; Y276-M721 VanDerWaalsContact OH-CG 3.23Å; Y276-M721 WeakPolarHBondContact OH-CG 3.43Å; Y276-M721 PolarHBondContact OH-SD 2.95Å; S717-M721 VanDerWaalsContact O-CB 3.24Å; S717-M721 WeakPolarHBondContact O-CB 3.39Å; S717-M721 PolarHBondContact O-N 2.8Å; N718-M721 PolarHBondContact O-N 3.13Å; I719-M721 VanDerWaalsContact C-N 3.26Å; I719-M721 PolarHBondContact O-N 3.35Å; M721-R724 WeakPolarHBondContact O-CB 3.43Å; M721-R724 PolarHBondContact O-N 3.44Å; M721-K725 WeakPolarHBondContact O-CG 3.22Å; M721-K725 PolarHBondContact O-N 2.87Å
722Q65.3Low68.6Low118 Ų11870.5 Ų70.555%0.55136%0.357SS*.Hα-helixtrans-62.9-48.5174.4-74.6179.3-800110.6N718 I719 R724 K725 H726N718-Q722 WeakPolarHBondContact O-CG 3.21Å; N718-Q722 PolarHBondContact O-N 2.49Å; I719-Q722 PolarHBondContact O-N 3.01Å; Q722-R724 VanDerWaalsContact C-N 3.27Å; Q722-R724 PolarHBondContact O-N 3.14Å; Q722-K725 PolarHBondContact O-N 3.43Å; Q722-K725 VanDerWaalsContact O-N 3.08Å; Q722-H726 PolarHBondContact O-CD2 3.46Å; Q722-H726 PolarHBondContact O-N 3.37Å
723N63.3Low69.3Low97 Ų9767.1 Ų67.152%0.51934%0.34SS..Hα-helixtrans-56.1-41.4176.5-71.3-24.3000111.9I719 H726 A727I719-N723 PolarHBondContact O-N 3.26Å; I719-N723 PolarHBondContact O-ND2 2.87Å; N723-H726 PolarHBondContact O-N 2.97Å; N723-A727 WeakPolarHBondContact O-CB 3.44Å; N723-A727 PolarHBondContact O-N 3.48Å
724R66Low70Confident41 Ų4163.9 Ų63.916%0.15533%0.326CS..Hα-helixtrans-60.7-51171.8-79.5173.7-96.3-170.1-21.9112.9S211 D720 M721 Q722 H726 A727 C728S211-R724 WeakPolarHBondContact OG-CD 3.24Å; S211-R724 PolarHBondContact OG-NE 2.94Å; S211-R724 PolarHBondContact OG-NH1 3.21Å; S211-R724 PolarHBondContact OG-NH2 3.42Å; S211-R724 VanDerWaalsContact OG-NH2 3.12Å; D720-R724 WeakPolarHBondContact O-CB 3.34Å; D720-R724 VanDerWaalsContact O-CG 3.25Å; D720-R724 WeakPolarHBondContact O-CG 3.28Å; D720-R724 PolarHBondContact O-N 2.75Å; D720-R724 PolarHBondContact O-NE 3.46Å; M721-R724 WeakPolarHBondContact O-CB 3.43Å; M721-R724 PolarHBondContact O-N 3.44Å; Q722-R724 VanDerWaalsContact C-N 3.27Å; Q722-R724 PolarHBondContact O-N 3.14Å; R724-H726 PolarHBondContact O-N 3.46Å; R724-A727 PolarHBondContact O-N 2.88Å; R724-A727 VanDerWaalsContact O-N 3.16Å; R724-C728 PolarHBondContact O-N 3.07Å; R724-C728 PolarHBondContact O-SG 3.33Å
725K65.7Low71.2Confident70 Ų7062.6 Ų62.630%0.30433%0.325SS..Hα-helixtrans-58.6-39.9179.7-73.9-169.1-177.1-161.80110.1E279 M721 Q722 K729E279-K725 IonicContact OE1-NZ 3.97Å; E279-K725 IonicContact OE2-NZ 2.86Å; E279-K725 PolarHBondContact OE2-NZ 2.62Å; M721-K725 WeakPolarHBondContact O-CG 3.22Å; M721-K725 PolarHBondContact O-N 2.87Å; Q722-K725 PolarHBondContact O-N 3.43Å; Q722-K725 VanDerWaalsContact O-N 3.08Å; K725-K729 VanDerWaalsContact O-CB 3.31Å; K725-K729 WeakPolarHBondContact O-CB 3.45Å; K725-K729 WeakPolarHBondContact O-CD 3.35Å; K725-K729 WeakPolarHBondContact O-CG 3.44Å; K725-K729 PolarHBondContact O-N 2.91Å; K725-K729 VanDerWaalsContact O-N 3.14Å
726H67.2Low72.3Confident127 Ų12763.7 Ų63.759%0.58833%0.326SS*.Hα-helixtrans-66.5-45.5174.6-74.2-71.2000112.6Q722 N723 R724 K729 A730Q722-H726 PolarHBondContact O-CD2 3.46Å; Q722-H726 PolarHBondContact O-N 3.37Å; N723-H726 PolarHBondContact O-N 2.97Å; R724-H726 PolarHBondContact O-N 3.46Å; H726-K729 PolarHBondContact O-N 2.88Å; H726-A730 WeakPolarHBondContact O-CB 3.12Å; H726-A730 PolarHBondContact O-N 3.42Å
727A69.3Low73.3Confident13 Ų1359.6 Ų59.611%0.10730%0.304CS..Hα-helixtrans-63.3-46.1179.300000112.7N723 R724 A730 L731N723-A727 WeakPolarHBondContact O-CB 3.44Å; N723-A727 PolarHBondContact O-N 3.48Å; R724-A727 PolarHBondContact O-N 2.88Å; R724-A727 VanDerWaalsContact O-N 3.16Å; A727-A730 PolarHBondContact O-N 2.9Å; A727-L731 PolarHBondContact O-N 2.77Å
728C71.6Confident74.6Confident53 Ų5359 Ų5936%0.35830%0.299SS..Hα-helixtrans-68-36.1179-65.70000112.4R724 K732R724-C728 PolarHBondContact O-N 3.07Å; R724-C728 PolarHBondContact O-SG 3.33Å; C728-K732 PolarHBondContact O-N 2.89Å
729K71.7Confident75.9Confident107 Ų10757.8 Ų57.847%0.46530%0.302SS..Hα-helixtrans-64-45.3172.7-75.6172.9-176.6-176.30111K725 H726 L731 K732 T733K725-K729 VanDerWaalsContact O-CB 3.31Å; K725-K729 WeakPolarHBondContact O-CB 3.45Å; K725-K729 WeakPolarHBondContact O-CD 3.35Å; K725-K729 WeakPolarHBondContact O-CG 3.44Å; K725-K729 PolarHBondContact O-N 2.91Å; K725-K729 VanDerWaalsContact O-N 3.14Å; H726-K729 PolarHBondContact O-N 2.88Å; K729-L731 VanDerWaalsContact C-N 3.35Å; K729-L731 PolarHBondContact O-N 3.48Å; K729-K732 PolarHBondContact O-N 2.92Å; K729-T733 VanDerWaalsContact O-CG2 3.28Å; K729-T733 WeakPolarHBondContact O-CG2 3.49Å; K729-T733 PolarHBondContact O-N 3.36Å
730A71.2Confident77.2Confident20 Ų2054.3 Ų54.317%0.16529%0.286CS..Hα-helixtrans-62.8-39.8177.800000112.2H726 A727 K732 T733 I734H726-A730 WeakPolarHBondContact O-CB 3.12Å; H726-A730 PolarHBondContact O-N 3.42Å; A727-A730 PolarHBondContact O-N 2.9Å; A730-K732 PolarHBondContact O-N 2.92Å; A730-T733 PolarHBondContact O-N 3.08Å; A730-T733 PolarHBondContact O-OG1 2.89Å; A730-I734 WeakPolarHBondContact O-CD1 3.22Å; A730-I734 WeakPolarHBondContact O-CG1 3.39Å; A730-I734 PolarHBondContact O-N 3.19Å
731L84Confident78.7Confident24 Ų2451 Ų5113%0.12627%0.269CS..Hα-helixtrans-57-48.1174.5-89.4177.4000111.9Y197 I200 A204 A727 K729 T733 I734 S735Y197-L731 HydrophobicContact CE2-CD2 4.36Å; I200-L731 HydrophobicContact CB-CD2 4.26Å; I200-L731 HydrophobicContact CG2-CD2 3.49Å; I200-L731 VanDerWaalsContact CG2-CD2 3.49Å; I200-L731 HydrophobicContact CG2-CG 4.19Å; A204-L731 HydrophobicContact CB-CD1 3.35Å; A204-L731 HydrophobicContact CB-CG 4.17Å; A727-L731 PolarHBondContact O-N 2.77Å; K729-L731 VanDerWaalsContact C-N 3.35Å; K729-L731 PolarHBondContact O-N 3.48Å; L731-T733 VanDerWaalsContact C-N 3.32Å; L731-T733 PolarHBondContact O-N 3.45Å; L731-I734 PolarHBondContact O-N 2.87Å; L731-S735 WeakPolarHBondContact O-CB 3.4Å; L731-S735 PolarHBondContact O-N 2.99Å; L731-S735 PolarHBondContact O-OG 3.02Å
732K80.5Confident80.2Confident132 Ų13251.5 Ų51.557%0.57427%0.272SS*.Hα-helixtrans-57.5-44.9179.2-69.8-178.2179.2-170.80112.4C728 K729 A730 I734 S735 L736C728-K732 PolarHBondContact O-N 2.89Å; K729-K732 PolarHBondContact O-N 2.92Å; A730-K732 PolarHBondContact O-N 2.92Å; K732-I734 VanDerWaalsContact C-N 3.32Å; K732-I734 PolarHBondContact O-N 3.34Å; K732-S735 PolarHBondContact O-N 3.06Å; K732-L736 WeakPolarHBondContact O-CG 3.08Å; K732-L736 PolarHBondContact O-N 2.93Å
733T82.6Confident81.7Confident21 Ų2152.5 Ų52.513%0.12927%0.274CS..Hα-helixtrans-62.2-44.5179.972.90000110.1K729 A730 L731 L736 I737 S794K729-T733 VanDerWaalsContact O-CG2 3.28Å; K729-T733 WeakPolarHBondContact O-CG2 3.49Å; K729-T733 PolarHBondContact O-N 3.36Å; A730-T733 PolarHBondContact O-N 3.08Å; A730-T733 PolarHBondContact O-OG1 2.89Å; L731-T733 VanDerWaalsContact C-N 3.32Å; L731-T733 PolarHBondContact O-N 3.45Å; T733-L736 PolarHBondContact O-N 3.18Å; T733-I737 WeakPolarHBondContact O-CD1 3.3Å; T733-I737 VanDerWaalsContact O-CG1 3.26Å; T733-I737 WeakPolarHBondContact O-CG1 3.21Å; T733-I737 PolarHBondContact O-N 3.18Å; T733-I737 VanDerWaalsContact O-N 3.07Å; T733-S794 WeakPolarHBondContact CB-OG 3.27Å; T733-S794 WeakPolarHBondContact CG2-OG 3.07Å
734I85.9Confident83.3Confident2 Ų247.9 Ų47.91%0.0125%0.25CC..Hα-helixtrans-69.3-41.9-178.2-62.6159.4000111.2R112 Y197 I200 A730 L731 K732 L736 I737 L738R112-I734 HydrophobicContact CB-CD1 3.36Å; R112-I734 HydrophobicContact CB-CG1 4.27Å; R112-I734 HydrophobicContact CG-CD1 3.43Å; R112-I734 VanDerWaalsContact CG-CD1 3.43Å; R112-I734 HydrophobicContact CG-CG1 3.9Å; Y197-I734 HydrophobicContact CD2-CG2 3.78Å; Y197-I734 HydrophobicContact CE2-CG2 4.15Å; I200-I734 HydrophobicContact CD1-CD1 4.09Å; A730-I734 WeakPolarHBondContact O-CD1 3.22Å; A730-I734 WeakPolarHBondContact O-CG1 3.39Å; A730-I734 PolarHBondContact O-N 3.19Å; L731-I734 PolarHBondContact O-N 2.87Å; K732-I734 VanDerWaalsContact C-N 3.32Å; K732-I734 PolarHBondContact O-N 3.34Å; I734-L736 VanDerWaalsContact C-N 3.27Å; I734-L736 PolarHBondContact O-N 2.99Å; I734-I737 PolarHBondContact O-N 2.68Å; I734-L738 HydrophobicContact CG2-CD1 3.49Å; I734-L738 VanDerWaalsContact CG2-CD1 3.49Å; I734-L738 HydrophobicContact CG2-CG 3.9Å; I734-L738 VanDerWaalsContact O-CB 3.29Å; I734-L738 WeakPolarHBondContact O-CB 3.31Å; I734-L738 WeakPolarHBondContact O-CG 3.41Å; I734-L738 PolarHBondContact O-N 3.42Å
735S89.9Confident84.7Confident43 Ų4346.5 Ų46.530%0.30124%0.244SC..Hα-helixtrans-58.6-41177.3-57.30000111.5Y197 L731 K732 G739Y197-S735 PolarHBondContact OH-OG 3.3Å; L731-S735 WeakPolarHBondContact O-CB 3.4Å; L731-S735 PolarHBondContact O-N 2.99Å; L731-S735 PolarHBondContact O-OG 3.02Å; K732-S735 PolarHBondContact O-N 3.06Å; S735-G739 PolarHBondContact O-N 2.98Å
736L90.4Very high86.2Confident77 Ų7744.3 Ų44.340%0.40324%0.237SC..Hα-helixtrans-67.3-49.3176.5-69.7174.8000111.6K732 T733 I734 G739 A740K732-L736 WeakPolarHBondContact O-CG 3.08Å; K732-L736 PolarHBondContact O-N 2.93Å; T733-L736 PolarHBondContact O-N 3.18Å; I734-L736 VanDerWaalsContact C-N 3.27Å; I734-L736 PolarHBondContact O-N 2.99Å; L736-G739 PolarHBondContact O-N 2.91Å; L736-A740 WeakPolarHBondContact O-CB 3.15Å; L736-A740 PolarHBondContact O-N 2.98Å
737I90.6Very high87.6Confident9 Ų940.4 Ų40.45%0.04622%0.223CC..Hα-helixtrans-63.6-46.8-178.6-66.1166.1000111.1V105 T733 I734 F741 C790 Y791V105-I737 HydrophobicContact CG1-CG2 3.79Å; V105-I737 HydrophobicContact CG2-CG2 4.41Å; T733-I737 WeakPolarHBondContact O-CD1 3.3Å; T733-I737 VanDerWaalsContact O-CG1 3.26Å; T733-I737 WeakPolarHBondContact O-CG1 3.21Å; T733-I737 PolarHBondContact O-N 3.18Å; T733-I737 VanDerWaalsContact O-N 3.07Å; I734-I737 PolarHBondContact O-N 2.68Å; I737-F741 WeakPolarHBondContact O-CB 3.13Å; I737-F741 PolarHBondContact O-N 2.68Å; I737-C790 HydrophobicContact CG1-CB 4.14Å; I737-Y791 HydrophobicContact CD1-CE1 3.89Å
738L92.4Very high88.8Confident12 Ų1240.4 Ų40.46%0.06322%0.22CC..Hα-helixtrans-68.3-39.6178.7-72.1-179.7000112.2V105 T109 M193 Y197 I734 F741 I742V105-L738 HydrophobicContact CG1-CD2 4.18Å; T109-L738 HydrophobicContact CG2-CD1 4.32Å; M193-L738 HydrophobicContact CB-CD2 4.43Å; M193-L738 HydrophobicContact CE-CD2 3.24Å; Y197-L738 HydrophobicContact CD2-CD1 3.54Å; Y197-L738 HydrophobicContact CE2-CD1 4.41Å; Y197-L738 HydrophobicContact CG-CD1 3.68Å; I734-L738 HydrophobicContact CG2-CD1 3.49Å; I734-L738 VanDerWaalsContact CG2-CD1 3.49Å; I734-L738 HydrophobicContact CG2-CG 3.9Å; I734-L738 VanDerWaalsContact O-CB 3.29Å; I734-L738 WeakPolarHBondContact O-CB 3.31Å; I734-L738 WeakPolarHBondContact O-CG 3.41Å; I734-L738 PolarHBondContact O-N 3.42Å; L738-F741 PolarHBondContact O-N 3.25Å; L738-I742 VanDerWaalsContact O-CG1 3.27Å; L738-I742 WeakPolarHBondContact O-CG1 3.48Å; L738-I742 PolarHBondContact O-N 3.31Å
739G93.2Very high89.9Confident40 Ų4038 Ų3841%0.41220%0.204SC..Hα-helixtrans-61-46.5175.800000111.7S735 L736 I742 F743S735-G739 PolarHBondContact O-N 2.98Å; L736-G739 PolarHBondContact O-N 2.91Å; G739-I742 PolarHBondContact O-N 3.45Å; G739-F743 WeakPolarHBondContact O-CB 3.1Å; G739-F743 PolarHBondContact O-N 3.4Å; G739-F743 VanDerWaalsContact O-N 3.08Å
740A94.1Very high91Very high13 Ų1336.3 Ų36.311%0.10720%0.199CC..Hα-helixtrans-60.9-46.7174.400000111.6L736 I742 F743 C744 I786L736-A740 WeakPolarHBondContact O-CB 3.15Å; L736-A740 PolarHBondContact O-N 2.98Å; A740-I742 PolarHBondContact O-N 3.08Å; A740-F743 PolarHBondContact O-N 2.9Å; A740-C744 VanDerWaalsContact O-CB 3.25Å; A740-C744 WeakPolarHBondContact O-CB 3.21Å; A740-C744 PolarHBondContact O-N 3.06Å; A740-C744 PolarHBondContact O-SG 2.53Å; A740-C744 VanDerWaalsContact O-SG 3.42Å; A740-I786 HydrophobicContact CB-CG2 3.7Å
741F94.4Very high92Very high0 Ų036 Ų360%019%0.194CC..Hα-helixtrans-56.2-50.6177.9177.7-91.8000112.1Q102 V105 F186 L190 M193 I737 L738 F743 C744 W745Q102-F741 HydrophobicContact CB-CE2 3.89Å; Q102-F741 HydrophobicContact CB-CZ 4.26Å; Q102-F741 HydrophobicContact CG-CE2 3.71Å; Q102-F741 HydrophobicContact CG-CZ 3.58Å; V105-F741 HydrophobicContact CG2-CD2 4.44Å; F186-F741 HydrophobicContact CD2-CZ 4.47Å; F186-F741 HydrophobicContact CE2-CE1 4.11Å; F186-F741 AromaticContact CE2-CZ 3.99Å; F186-F741 HydrophobicContact CE2-CZ 3.99Å; L190-F741 HydrophobicContact CD1-CD1 4.48Å; L190-F741 HydrophobicContact CD1-CE1 4.21Å; M193-F741 HydrophobicContact CE-CD1 3.95Å; M193-F741 HydrophobicContact CE-CE1 4.11Å; M193-F741 HydrophobicContact CE-CG 4.33Å; M193-F741 HydrophobicContact SD-CE1 4.32Å; I737-F741 WeakPolarHBondContact O-CB 3.13Å; I737-F741 PolarHBondContact O-N 2.68Å; L738-F741 PolarHBondContact O-N 3.25Å; F741-F743 PolarHBondContact O-N 3.47Å; F741-C744 PolarHBondContact O-N 2.75Å; F741-W745 AromaticContact CD2-CD1 3.29Å; F741-W745 HydrophobicContact CD2-CG 4.14Å; F741-W745 AromaticContact CD2-NE1 3.54Å; F741-W745 AromaticContact CE2-CD1 3.36Å; F741-W745 HydrophobicContact CE2-CD2 4.26Å; F741-W745 AromaticContact CE2-CG 3.8Å; F741-W745 HydrophobicContact CE2-CG 3.8Å; F741-W745 AromaticContact CE2-NE1 3.55Å; F741-W745 AromaticContact CG-CD1 3.92Å; F741-W745 HydrophobicContact CZ-CB 4.4Å; F741-W745 HydrophobicContact CZ-CG 4.12Å; F741-W745 WeakPolarHBondContact O-CB 3.31Å; F741-W745 VanDerWaalsContact O-CD1 3.23Å; F741-W745 PolarHBondContact O-N 3.09Å
742I95.9Very high92.3Very high63 Ų6335.1 Ų35.132%0.32319%0.19SC..Hα-helixtrans-62.2-46.4-179.3-66.3173000110.7L190 L738 G739 A740 C744 T746L190-I742 HydrophobicContact CD1-CD1 4.17Å; L190-I742 HydrophobicContact CD1-CG1 3.68Å; L738-I742 VanDerWaalsContact O-CG1 3.27Å; L738-I742 WeakPolarHBondContact O-CG1 3.48Å; L738-I742 PolarHBondContact O-N 3.31Å; G739-I742 PolarHBondContact O-N 3.45Å; A740-I742 PolarHBondContact O-N 3.08Å; I742-C744 PolarHBondContact O-N 3.37Å; I742-T746 WeakPolarHBondContact O-CB 3.45Å; I742-T746 PolarHBondContact O-N 3.42Å; I742-T746 PolarHBondContact O-OG1 2.65Å
743F96Very high92.8Very high138 Ų13830.4 Ų30.461%0.60517%0.171SC*.Hα-helixtrans-64-41-178.9179.5-102.1000112.3G739 A740 F741 P747 L779G739-F743 WeakPolarHBondContact O-CB 3.1Å; G739-F743 PolarHBondContact O-N 3.4Å; G739-F743 VanDerWaalsContact O-N 3.08Å; A740-F743 PolarHBondContact O-N 2.9Å; F741-F743 PolarHBondContact O-N 3.47Å; F743-P747 VanDerWaalsContact O-CD 3.26Å; F743-P747 WeakPolarHBondContact O-CD 3.36Å; F743-L779 HydrophobicContact CD1-CD1 4.31Å; F743-L779 HydrophobicContact CE1-CD1 3.79Å; F743-L779 HydrophobicContact CZ-CD1 4.43Å
744C96.6Very high93.2Very high0 Ų033.4 Ų33.40%019%0.185CC..Hα-helixtrans-75.8-43.3-176.4-75.60000113.4A740 F741 I742 L779 C780 N783A740-C744 VanDerWaalsContact O-CB 3.25Å; A740-C744 WeakPolarHBondContact O-CB 3.21Å; A740-C744 PolarHBondContact O-N 3.06Å; A740-C744 PolarHBondContact O-SG 2.53Å; A740-C744 VanDerWaalsContact O-SG 3.42Å; F741-C744 PolarHBondContact O-N 2.75Å; I742-C744 PolarHBondContact O-N 3.37Å; C744-L779 WeakPolarHBondContact CA-O 3.43Å; C744-L779 WeakPolarHBondContact CB-O 3.32Å; C744-L779 CarbonylContact O-C 3.6Å; C744-L779 PolarHBondContact SG-O 3.06Å; C744-L779 VanDerWaalsContact SG-O 3.41Å; C744-C780 WeakPolarHBondContact O-CA 3.46Å; C744-C780 PolarHBondContact O-N 3.45Å; C744-N783 HydrophobicContact CB-CB 3.76Å
745W96.5Very high93.2Very high12 Ų1234.9 Ų34.95%0.04519%0.192CC..Hα-helixtrans-90.4-35.4-170.3-73.490.7000114.5C98 F186 F741 Y748 H749 C780 N783C98-W745 HydrophobicContact CB-CH2 3.51Å; C98-W745 HydrophobicContact CB-CZ3 4.17Å; F186-W745 HydrophobicContact CE2-CB 3.6Å; F186-W745 HydrophobicContact CE2-CG 4.46Å; F186-W745 HydrophobicContact CZ-CB 4.04Å; F741-W745 AromaticContact CD2-CD1 3.29Å; F741-W745 HydrophobicContact CD2-CG 4.14Å; F741-W745 AromaticContact CD2-NE1 3.54Å; F741-W745 AromaticContact CE2-CD1 3.36Å; F741-W745 HydrophobicContact CE2-CD2 4.26Å; F741-W745 AromaticContact CE2-CG 3.8Å; F741-W745 HydrophobicContact CE2-CG 3.8Å; F741-W745 AromaticContact CE2-NE1 3.55Å; F741-W745 AromaticContact CG-CD1 3.92Å; F741-W745 HydrophobicContact CZ-CB 4.4Å; F741-W745 HydrophobicContact CZ-CG 4.12Å; F741-W745 WeakPolarHBondContact O-CB 3.31Å; F741-W745 VanDerWaalsContact O-CD1 3.23Å; F741-W745 PolarHBondContact O-N 3.09Å; W745-Y748 PolarHBondContact O-N 3.5Å; W745-H749 AromaticContact CE3-NE2 3.47Å; W745-H749 PolarHBondContact O-CD2 3.22Å; W745-H749 VanDerWaalsContact O-CD2 3.28Å; W745-H749 PolarHBondContact O-N 2.87Å; W745-C780 HydrophobicContact CE3-CB 4.3Å; W745-C780 HydrophobicContact CZ3-CB 4.29Å; W745-N783 PolarHBondContact NE1-ND2 3.27Å; W745-N783 VanDerWaalsContact NE1-ND2 3.15Å
746T96.2Very high92.9Very high25 Ų2533.1 Ų33.115%0.15318%0.18CC..Hα-helixtrans-60.9-42.9-170.8-53.10000113.2W187 I742 Y748 H749 I750W187-T746 HydrophobicContact CH2-CG2 4.09Å; I742-T746 WeakPolarHBondContact O-CB 3.45Å; I742-T746 PolarHBondContact O-N 3.42Å; I742-T746 PolarHBondContact O-OG1 2.65Å; T746-Y748 VanDerWaalsContact C-N 3.35Å; T746-Y748 PolarHBondContact O-N 3.06Å; T746-H749 PolarHBondContact O-N 3.03Å; T746-I750 HydrophobicContact CG2-CD1 3.69Å; T746-I750 HydrophobicContact CG2-CG1 4.12Å; T746-I750 WeakPolarHBondContact O-CG1 3.35Å; T746-I750 PolarHBondContact O-N 3.36Å
747P95.9Very high92.6Very high44 Ų4436.2 Ų36.229%0.28619%0.191SC..Hα-helixtrans-60.6-40.8-177.7-29.741.6000113.7F743 I750 I751 L779F743-P747 VanDerWaalsContact O-CD 3.26Å; F743-P747 WeakPolarHBondContact O-CD 3.36Å; P747-I750 PolarHBondContact O-N 3.48Å; P747-I751 WeakPolarHBondContact O-CG1 3.2Å; P747-I751 PolarHBondContact O-N 2.8Å; P747-L779 HydrophobicContact CB-CD2 3.96Å; P747-L779 HydrophobicContact CG-CD2 3.6Å
748Y95.1Very high92.4Very high14 Ų1438.1 Ų38.16%0.05520%0.204CC..Hα-helixtrans-63.7-48.1175.9172.9-110.9000111.9W745 T746 I750 I751 V752 Y773 Y777 C780W745-Y748 PolarHBondContact O-N 3.5Å; T746-Y748 VanDerWaalsContact C-N 3.35Å; T746-Y748 PolarHBondContact O-N 3.06Å; Y748-I750 VanDerWaalsContact C-N 3.3Å; Y748-I750 PolarHBondContact O-N 2.92Å; Y748-I751 CarbonylContact O-C 3.52Å; Y748-I751 PolarHBondContact O-N 3.43Å; Y748-V752 HydrophobicContact CD1-CG2 4.25Å; Y748-V752 HydrophobicContact CD2-CG2 3.93Å; Y748-V752 HydrophobicContact CE1-CG2 3.84Å; Y748-V752 HydrophobicContact CE2-CG2 3.44Å; Y748-V752 VanDerWaalsContact CE2-CG2 3.44Å; Y748-V752 HydrophobicContact CG-CG2 4.3Å; Y748-V752 VanDerWaalsContact CZ-CG2 3.42Å; Y748-V752 WeakPolarHBondContact O-CG2 3.45Å; Y748-V752 PolarHBondContact O-N 3Å; Y748-Y773 HydrophobicContact CE2-CE2 4.02Å; Y748-Y777 AromaticContact CD2-CD2 3.99Å; Y748-Y777 HydrophobicContact CD2-CD2 3.99Å; Y748-Y777 AromaticContact CE2-CD2 3.45Å; Y748-Y777 HydrophobicContact CE2-CD2 3.45Å; Y748-Y777 VanDerWaalsContact CE2-CD2 3.45Å; Y748-Y777 AromaticContact CE2-CE2 3.89Å; Y748-Y777 HydrophobicContact CE2-CE2 3.89Å; Y748-Y777 AromaticContact CZ-CD2 3.96Å; Y748-Y777 AromaticContact CZ-CE2 3.93Å; Y748-C780 WeakPolarHBondContact CB-SG 3.44Å
749H94.6Very high91.7Very high2 Ų239 Ų391%0.00921%0.209CC..Hα-helixtrans-68.2-28.7-179.4-70.3-59.3000113.2T182 Y185 F186 W187 W745 T746 L753T182-H749 HydrophobicContact CG2-CB 4.26Å; Y185-H749 AromaticContact CE2-CE1 3.53Å; Y185-H749 AromaticContact CZ-CE1 3.74Å; Y185-H749 PolarHBondContact OH-CE1 2.91Å; Y185-H749 PolarHBondContact OH-ND1 2.65Å; F186-H749 HydrophobicContact CD1-CB 3.49Å; F186-H749 VanDerWaalsContact CD1-CB 3.49Å; F186-H749 AromaticContact CD1-CD2 3.47Å; F186-H749 VanDerWaalsContact CD1-CD2 3.47Å; F186-H749 WeakPolarHBondContact CD1-CD2 3.36Å; F186-H749 AromaticContact CD1-CG 3.49Å; F186-H749 VanDerWaalsContact CD1-CG 3.49Å; F186-H749 AromaticContact CD2-CD2 3.15Å; F186-H749 WeakPolarHBondContact CD2-CD2 3.28Å; F186-H749 AromaticContact CD2-CG 3.97Å; F186-H749 AromaticContact CD2-NE2 3.4Å; F186-H749 WeakPolarHBondContact CD2-NE2 3.26Å; F186-H749 HydrophobicContact CE1-CB 3.59Å; F186-H749 AromaticContact CE1-CD2 3.62Å; F186-H749 AromaticContact CE1-CG 3.84Å; F186-H749 AromaticContact CE2-CD2 3.32Å; F186-H749 WeakPolarHBondContact CE2-CD2 3.43Å; F186-H749 AromaticContact CE2-NE2 3.9Å; F186-H749 HydrophobicContact CG-CB 4.1Å; F186-H749 AromaticContact CG-CD2 3.23Å; F186-H749 WeakPolarHBondContact CG-CD2 3.36Å; F186-H749 AromaticContact CG-CG 3.56Å; F186-H749 AromaticContact CG-NE2 3.65Å; F186-H749 HydrophobicContact CZ-CB 4.3Å; F186-H749 AromaticContact CZ-CD2 3.55Å; W187-H749 HydrophobicContact CZ2-CB 4.47Å; W745-H749 AromaticContact CE3-NE2 3.47Å; W745-H749 PolarHBondContact O-CD2 3.22Å; W745-H749 VanDerWaalsContact O-CD2 3.28Å; W745-H749 PolarHBondContact O-N 2.87Å; T746-H749 PolarHBondContact O-N 3.03Å; H749-L753 WeakPolarHBondContact O-CB 3.45Å; H749-L753 VanDerWaalsContact O-CG 3.3Å; H749-L753 WeakPolarHBondContact O-CG 3.47Å; H749-L753 PolarHBondContact O-N 2.87Å; H749-L753 VanDerWaalsContact O-N 3.13Å
750I94.5Very high90.7Very high72 Ų7240.4 Ų40.437%0.36921%0.207SC..Hα-helixtrans-63.5-48.2167.8-70.3171.8000110W187 T746 P747 Y748 V752 L753 I754W187-I750 HydrophobicContact CH2-CD1 4.38Å; W187-I750 HydrophobicContact CH2-CG1 3.73Å; W187-I750 HydrophobicContact CZ2-CG1 3.83Å; T746-I750 HydrophobicContact CG2-CD1 3.69Å; T746-I750 HydrophobicContact CG2-CG1 4.12Å; T746-I750 WeakPolarHBondContact O-CG1 3.35Å; T746-I750 PolarHBondContact O-N 3.36Å; P747-I750 PolarHBondContact O-N 3.48Å; Y748-I750 VanDerWaalsContact C-N 3.3Å; Y748-I750 PolarHBondContact O-N 2.92Å; I750-V752 PolarHBondContact O-N 3.23Å; I750-L753 WeakPolarHBondContact O-CB 3.37Å; I750-L753 PolarHBondContact O-N 3.21Å; I750-I754 HydrophobicContact CG2-CD1 3.77Å; I750-I754 HydrophobicContact CG2-CG1 4.45Å; I750-I754 WeakPolarHBondContact O-CG1 3.49Å; I750-I754 PolarHBondContact O-N 3.45Å
751I92.5Very high89.5Confident13 Ų1343.6 Ų43.67%0.06722%0.222CC..Hα-helixtrans-63.7-41.8-179.4-77.8161000111.9P747 Y748 L753 I754 K755 V768 L772 Y773 S776P747-I751 WeakPolarHBondContact O-CG1 3.2Å; P747-I751 PolarHBondContact O-N 2.8Å; Y748-I751 CarbonylContact O-C 3.52Å; Y748-I751 PolarHBondContact O-N 3.43Å; I751-L753 VanDerWaalsContact C-N 3.32Å; I751-L753 PolarHBondContact O-N 2.9Å; I751-I754 PolarHBondContact O-N 3.46Å; I751-K755 WeakPolarHBondContact O-CB 3.47Å; I751-K755 PolarHBondContact O-N 3.3Å; I751-V768 HydrophobicContact CG2-CG1 3.87Å; I751-V768 HydrophobicContact CG2-CG2 4.38Å; I751-L772 HydrophobicContact CD1-CD1 4.32Å; I751-L772 HydrophobicContact CD1-CD2 4.33Å; I751-L772 HydrophobicContact CD1-CG 3.82Å; I751-Y773 HydrophobicContact CG2-CD2 3.75Å; I751-S776 WeakPolarHBondContact CD1-OG 3.3Å
752V90.6Very high88.2Confident6 Ų650.3 Ų50.34%0.03626%0.257CS..Hα-helixtrans-63.8-38.3176.8170.90000111.4N178 Y748 I750 G756N178-V752 VanDerWaalsContact ND2-CG1 3.35Å; N178-V752 WeakPolarHBondContact ND2-CG1 3.4Å; N178-V752 PolarHBondContact ND2-O 2.7Å; Y748-V752 HydrophobicContact CD1-CG2 4.25Å; Y748-V752 HydrophobicContact CD2-CG2 3.93Å; Y748-V752 HydrophobicContact CE1-CG2 3.84Å; Y748-V752 HydrophobicContact CE2-CG2 3.44Å; Y748-V752 VanDerWaalsContact CE2-CG2 3.44Å; Y748-V752 HydrophobicContact CG-CG2 4.3Å; Y748-V752 VanDerWaalsContact CZ-CG2 3.42Å; Y748-V752 WeakPolarHBondContact O-CG2 3.45Å; Y748-V752 PolarHBondContact O-N 3Å; I750-V752 PolarHBondContact O-N 3.23Å; V752-G756 PolarHBondContact O-N 2.02Å
753L90.7Very high87Confident33 Ų3351 Ų5117%0.17327%0.265CS..Hα-helixtrans-63.3-50.1172.3-76.5-179.2000111.2T179 T182 W187 H749 I750 I751 K755 G756 F757T179-L753 HydrophobicContact CG2-CD2 3.88Å; T182-L753 HydrophobicContact CG2-CD2 4.26Å; T182-L753 HydrophobicContact CG2-CG 4.32Å; W187-L753 HydrophobicContact CZ2-CD1 3.87Å; H749-L753 WeakPolarHBondContact O-CB 3.45Å; H749-L753 VanDerWaalsContact O-CG 3.3Å; H749-L753 WeakPolarHBondContact O-CG 3.47Å; H749-L753 PolarHBondContact O-N 2.87Å; H749-L753 VanDerWaalsContact O-N 3.13Å; I750-L753 WeakPolarHBondContact O-CB 3.37Å; I750-L753 PolarHBondContact O-N 3.21Å; I751-L753 VanDerWaalsContact C-N 3.32Å; I751-L753 PolarHBondContact O-N 2.9Å; L753-K755 PolarHBondContact O-N 3Å; L753-G756 PolarHBondContact O-N 3.11Å; L753-F757 WeakPolarHBondContact O-CD2 3.16Å; L753-F757 PolarHBondContact O-N 3.42Å
754I90.3Very high85.6Confident83 Ų8353.9 Ų53.943%0.42627%0.273SS..Hα-helixtrans-56.5-52.9178.1-68.4167.8000110I750 I751 G756 F757 C758 V768I750-I754 HydrophobicContact CG2-CD1 3.77Å; I750-I754 HydrophobicContact CG2-CG1 4.45Å; I750-I754 WeakPolarHBondContact O-CG1 3.49Å; I750-I754 PolarHBondContact O-N 3.45Å; I751-I754 PolarHBondContact O-N 3.46Å; I754-G756 VanDerWaalsContact C-N 3.28Å; I754-G756 PolarHBondContact O-N 2.93Å; I754-F757 PolarHBondContact O-N 3.3Å; I754-C758 VanDerWaalsContact C-SG 3.57Å; I754-C758 WeakPolarHBondContact O-CB 3.28Å; I754-C758 PolarHBondContact O-N 2.82Å; I754-C758 PolarHBondContact O-SG 3.34Å; I754-V768 HydrophobicContact CG2-CG2 4.08Å
755K86.4Confident84.3Confident33 Ų3356.7 Ų56.714%0.14329%0.291CS..Hα-helixtrans-51.5-46.8178.6-172179.6171.660.10111.4I751 L753 F757 C758 D759 S766 V768 Y773I751-K755 WeakPolarHBondContact O-CB 3.47Å; I751-K755 PolarHBondContact O-N 3.3Å; L753-K755 PolarHBondContact O-N 3Å; K755-F757 VanDerWaalsContact C-N 3.3Å; K755-F757 PolarHBondContact O-N 3.45Å; K755-C758 VanDerWaalsContact CA-SG 3.59Å; K755-C758 PolarHBondContact O-N 2.94Å; K755-D759 WeakPolarHBondContact CE-OD2 3.44Å; K755-D759 WeakPolarHBondContact CG-OD2 3.25Å; K755-D759 IonicContact NZ-OD2 3.43Å; K755-D759 PolarHBondContact NZ-OD2 3.21Å; K755-D759 VanDerWaalsContact O-CB 3.23Å; K755-D759 WeakPolarHBondContact O-CB 3.27Å; K755-D759 VanDerWaalsContact O-CG 3.27Å; K755-D759 PolarHBondContact O-N 3.44Å; K755-S766 PolarHBondContact NZ-OG 2.96Å; K755-V768 HydrophobicContact CB-CG2 4.2Å; K755-Y773 HydrophobicContact CD-CD2 4.39Å; K755-Y773 HydrophobicContact CD-CE2 4.21Å
756G83.8Confident83.4Confident6 Ų658.7 Ų58.76%0.06231%0.306CS..Hα-helixtrans-57.2-4017800000113.6P175 V752 L753 I754P175-G756 VanDerWaalsContact CB-O 3.22Å; P175-G756 WeakPolarHBondContact CB-O 3.39Å; V752-G756 PolarHBondContact O-N 2.02Å; L753-G756 PolarHBondContact O-N 3.11Å; I754-G756 VanDerWaalsContact C-N 3.28Å; I754-G756 PolarHBondContact O-N 2.93Å
757F85Confident82.9Confident142 Ų14260.7 Ų60.762%0.62332%0.32SS*.Hα-helixtrans-88.4-22-177.2-74.3-71.8000115T179 L753 I754 K755T179-F757 HydrophobicContact CG2-CE2 4Å; T179-F757 HydrophobicContact CG2-CZ 3.92Å; T179-F757 VanDerWaalsContact OG1-CE2 3.28Å; T179-F757 WeakPolarHBondContact OG1-CE2 3.18Å; T179-F757 WeakPolarHBondContact OG1-CZ 3.26Å; L753-F757 WeakPolarHBondContact O-CD2 3.16Å; L753-F757 PolarHBondContact O-N 3.42Å; I754-F757 PolarHBondContact O-N 3.3Å; K755-F757 VanDerWaalsContact C-N 3.3Å; K755-F757 PolarHBondContact O-N 3.45Å
758C85.1Confident82.4Confident49 Ų4959.3 Ų59.333%0.33131%0.311SS..Hα-helixtrans-108.2-20.9-171.171.40000114.3I754 K755 C767I754-C758 VanDerWaalsContact C-SG 3.57Å; I754-C758 WeakPolarHBondContact O-CB 3.28Å; I754-C758 PolarHBondContact O-N 2.82Å; I754-C758 PolarHBondContact O-SG 3.34Å; K755-C758 VanDerWaalsContact CA-SG 3.59Å; K755-C758 PolarHBondContact O-N 2.94Å; C758-C767 HydrophobicContact CB-CB 3.54Å; C758-C767 WeakPolarHBondContact CB-SG 3.47Å; C758-C767 WeakPolarHBondContact SG-CB 3.07Å; C758-C767 CovalentContact SG-SG 1.99Å; C758-C767 PolarHBondContact SG-SG 3.4Å
759D78.7Confident82.1Confident30 Ų3061.7 Ų61.716%0.1633%0.325CS..  trans-74.1134.4178.5-75.79.9000109.7K755 S766 C767K755-D759 WeakPolarHBondContact CE-OD2 3.44Å; K755-D759 WeakPolarHBondContact CG-OD2 3.25Å; K755-D759 IonicContact NZ-OD2 3.43Å; K755-D759 PolarHBondContact NZ-OD2 3.21Å; K755-D759 VanDerWaalsContact O-CB 3.23Å; K755-D759 WeakPolarHBondContact O-CB 3.27Å; K755-D759 VanDerWaalsContact O-CG 3.27Å; K755-D759 PolarHBondContact O-N 3.44Å; D759-S766 VanDerWaalsContact OD1-CA 3.28Å; D759-S766 WeakPolarHBondContact OD1-CA 3.16Å; D759-C767 PolarHBondContact OD1-N 3.01Å
760D71Confident81.6Confident70 Ų7066.3 Ų66.337%0.37435%0.349SS..BIsolated β-bridgetrans-97.9114.9174.9-170.6-18.4000109.1N762 T763 Y764 T765D760-N762 PolarHBondContact O-N 3.1Å; D760-N762 WeakPolarHBondContact OD1-CB 3.29Å; D760-N762 PolarHBondContact OD1-N 3.47Å; D760-N762 PolarHBondContact OD1-ND2 3.16Å; D760-N762 VanDerWaalsContact OD1-ND2 3.08Å; D760-T763 WeakPolarHBondContact CB-OG1 3.44Å; D760-T763 PolarHBondContact O-N 3.31Å; D760-Y764 PolarHBondContact O-N 2.99Å; D760-Y764 VanDerWaalsContact O-N 3.08Å; D760-T765 PolarHBondContact N-O 3.42Å
761I69.1Low81.2Confident80 Ų8066.4 Ų66.441%0.4135%0.348SS..THydrogen-bonded Turntrans-59.3-32.6178.4-60.3165.8000110.5Y173Y173-I761 VanDerWaalsContact O-CD1 3.28Å; Y173-I761 WeakPolarHBondContact O-CD1 3.36Å
762N68.7Low81.1Confident141 Ų14170.2 Ų70.275%0.75437%0.367SS*.THydrogen-bonded Turntrans-79.4-33.9-174-55-65.4000112.5D760D760-N762 PolarHBondContact O-N 3.1Å; D760-N762 WeakPolarHBondContact OD1-CB 3.29Å; D760-N762 PolarHBondContact OD1-N 3.47Å; D760-N762 PolarHBondContact OD1-ND2 3.16Å; D760-N762 VanDerWaalsContact OD1-ND2 3.08Å
763T70.3Confident81.1Confident79 Ų7972.3 Ų72.349%0.48538%0.375SS..THydrogen-bonded Turntrans-97.5-1.2-179.869.30000112.9D760 T765D760-T763 WeakPolarHBondContact CB-OG1 3.44Å; D760-T763 PolarHBondContact O-N 3.31Å; T763-T765 WeakPolarHBondContact CB-OG1 3.07Å; T763-T765 PolarHBondContact O-N 3.04Å; T763-T765 PolarHBondContact O-OG1 2.78Å; T763-T765 VanDerWaalsContact O-OG1 3.07Å; T763-T765 VanDerWaalsContact OG1-CB 3.3Å; T763-T765 WeakPolarHBondContact OG1-CB 3.32Å; T763-T765 PolarHBondContact OG1-OG1 3.4Å
764Y65.6Low81.1Confident197 Ų19771.5 Ų71.577%0.77337%0.371SS*.THydrogen-bonded Turntrans48.428.2-173-65.6-83.7000113.1D760D760-Y764 PolarHBondContact O-N 2.99Å; D760-Y764 VanDerWaalsContact O-N 3.08Å
765T69.8Low81.2Confident60 Ų6073.2 Ų73.237%0.36838%0.38SS..BIsolated β-bridgetrans-95.4115.8-176-51.10000109.2D760 T763D760-T765 PolarHBondContact N-O 3.42Å; T763-T765 WeakPolarHBondContact CB-OG1 3.07Å; T763-T765 PolarHBondContact O-N 3.04Å; T763-T765 PolarHBondContact O-OG1 2.78Å; T763-T765 VanDerWaalsContact O-OG1 3.07Å; T763-T765 VanDerWaalsContact OG1-CB 3.3Å; T763-T765 WeakPolarHBondContact OG1-CB 3.32Å; T763-T765 PolarHBondContact OG1-OG1 3.4Å
766S77.2Confident81.5Confident54 Ų5471.8 Ų71.838%0.37838%0.375SS..  trans-80126.3172.4177.90000109.7K755 D759 V768K755-S766 PolarHBondContact NZ-OG 2.96Å; D759-S766 VanDerWaalsContact OD1-CA 3.28Å; D759-S766 WeakPolarHBondContact OD1-CA 3.16Å; S766-V768 VanDerWaalsContact C-N 3.26Å; S766-V768 PolarHBondContact O-N 2.91Å; S766-V768 PolarHBondContact OG-O 3.38Å; S766-V768 VanDerWaalsContact OG-O 3.06Å
767C86.1Confident82Confident66 Ų6672.5 Ų72.545%0.44638%0.376SS..SBendtrans-75.5-21.9176.794.70000112.2C758 D759C758-C767 HydrophobicContact CB-CB 3.54Å; C758-C767 WeakPolarHBondContact CB-SG 3.47Å; C758-C767 WeakPolarHBondContact SG-CB 3.07Å; C758-C767 CovalentContact SG-SG 1.99Å; C758-C767 PolarHBondContact SG-SG 3.4Å; D759-C767 PolarHBondContact OD1-N 3.01Å
768V86.3Confident82.5Confident16 Ų1667.6 Ų67.610%0.09735%0.353CS..SBendtrans-90.4131.1-179.1-176.50000109.5I751 I754 K755 S766 I770 L772I751-V768 HydrophobicContact CG2-CG1 3.87Å; I751-V768 HydrophobicContact CG2-CG2 4.38Å; I754-V768 HydrophobicContact CG2-CG2 4.08Å; K755-V768 HydrophobicContact CB-CG2 4.2Å; S766-V768 VanDerWaalsContact C-N 3.26Å; S766-V768 PolarHBondContact O-N 2.91Å; S766-V768 PolarHBondContact OG-O 3.38Å; S766-V768 VanDerWaalsContact OG-O 3.06Å; V768-I770 PolarHBondContact O-N 3.44Å; V768-L772 HydrophobicContact CG1-CB 4.44Å; V768-L772 HydrophobicContact CG1-CD2 4.32Å
769N87.7Confident83Confident64 Ų6467.2 Ų67.234%0.34235%0.347SS..  trans-59.4130.8172.3-177.5-70.7000110.4Y524 H771 L772 Y773Y524-N769 PolarHBondContact OH-ND2 2.9Å; N769-H771 VanDerWaalsContact C-N 3.25Å; N769-H771 PolarHBondContact O-N 3.39Å; N769-H771 WeakPolarHBondContact OD1-CA 3.02Å; N769-H771 VanDerWaalsContact OD1-CB 3.26Å; N769-H771 WeakPolarHBondContact OD1-CB 3.44Å; N769-H771 PolarHBondContact OD1-CD2 2.85Å; N769-H771 VanDerWaalsContact OD1-CD2 3.26Å; N769-H771 PolarHBondContact OD1-N 3.36Å; N769-L772 HydrophobicContact CB-CB 4.27Å; N769-L772 WeakPolarHBondContact O-CB 3.3Å; N769-L772 PolarHBondContact O-N 3.41Å; N769-Y773 PolarHBondContact O-N 3.07Å
770I84.5Confident83.8Confident99 Ų9966.2 Ų66.251%0.50834%0.343SS..Hα-helixtrans-56.5-36.5-177.4-173.558.8000113.2V768 Y773 N774V768-I770 PolarHBondContact O-N 3.44Å; I770-Y773 PolarHBondContact O-N 2.98Å; I770-N774 WeakPolarHBondContact O-CB 3.25Å; I770-N774 VanDerWaalsContact O-CG 3.23Å; I770-N774 PolarHBondContact O-N 3.1Å
771H86.2Confident85Confident74 Ų7463.1 Ų63.134%0.34333%0.326SS..Hα-helixtrans-69-36.6178.3-52.7-56.8000111.7F9 N769 L775F9-H771 AromaticContact CE1-CE1 3.32Å; F9-H771 WeakPolarHBondContact CE1-CE1 3.31Å; F9-H771 AromaticContact CE1-ND1 3.69Å; F9-H771 AromaticContact CZ-CE1 3.58Å; F9-H771 AromaticContact CZ-ND1 3.73Å; N769-H771 VanDerWaalsContact C-N 3.25Å; N769-H771 PolarHBondContact O-N 3.39Å; N769-H771 WeakPolarHBondContact OD1-CA 3.02Å; N769-H771 VanDerWaalsContact OD1-CB 3.26Å; N769-H771 WeakPolarHBondContact OD1-CB 3.44Å; N769-H771 PolarHBondContact OD1-CD2 2.85Å; N769-H771 VanDerWaalsContact OD1-CD2 3.26Å; N769-H771 PolarHBondContact OD1-N 3.36Å; H771-L775 WeakPolarHBondContact O-CB 3.42Å; H771-L775 PolarHBondContact O-N 3.15Å
772L90.6Very high86.3Confident92 Ų9262.4 Ų62.448%0.48232%0.321SS..Hα-helixtrans-67.1-42175.7-176.664.3000110.8I751 V768 N769 L775 S776I751-L772 HydrophobicContact CD1-CD1 4.32Å; I751-L772 HydrophobicContact CD1-CD2 4.33Å; I751-L772 HydrophobicContact CD1-CG 3.82Å; V768-L772 HydrophobicContact CG1-CB 4.44Å; V768-L772 HydrophobicContact CG1-CD2 4.32Å; N769-L772 HydrophobicContact CB-CB 4.27Å; N769-L772 WeakPolarHBondContact O-CB 3.3Å; N769-L772 PolarHBondContact O-N 3.41Å; L772-L775 PolarHBondContact O-N 3.43Å; L772-S776 WeakPolarHBondContact O-CB 3.48Å; L772-S776 PolarHBondContact O-N 2.99Å; L772-S776 PolarHBondContact O-OG 2.96Å
773Y89.9Confident87.5Confident51 Ų5155.7 Ų55.720%0.229%0.286CS..Hα-helixtrans-59.4-52.6173.6-178.5-94.4000111Y748 I751 K755 N769 I770 L775 S776 Y777Y748-Y773 HydrophobicContact CE2-CE2 4.02Å; I751-Y773 HydrophobicContact CG2-CD2 3.75Å; K755-Y773 HydrophobicContact CD-CD2 4.39Å; K755-Y773 HydrophobicContact CD-CE2 4.21Å; N769-Y773 PolarHBondContact O-N 3.07Å; I770-Y773 PolarHBondContact O-N 2.98Å; Y773-L775 PolarHBondContact O-N 3.32Å; Y773-S776 PolarHBondContact O-N 2.65Å; Y773-S776 VanDerWaalsContact O-N 3.16Å; Y773-S776 PolarHBondContact O-OG 3.09Å; Y773-Y777 HydrophobicContact CE1-CD2 4.4Å; Y773-Y777 PolarHBondContact O-N 3.41Å
774N90.1Very high88.8Confident15 Ų1552.1 Ų52.18%0.0826%0.264CS..Hα-helixtrans-62-40.8179.8-71.5-9.7000112.6Q75 I770 S776 Y777 W778Q75-N774 VanDerWaalsContact CD-ND2 3.28Å; Q75-N774 PolarHBondContact NE2-ND2 3.33Å; Q75-N774 PolarHBondContact OE1-ND2 2.82Å; I770-N774 WeakPolarHBondContact O-CB 3.25Å; I770-N774 VanDerWaalsContact O-CG 3.23Å; I770-N774 PolarHBondContact O-N 3.1Å; N774-S776 VanDerWaalsContact C-N 3.34Å; N774-S776 PolarHBondContact O-N 3.29Å; N774-Y777 WeakPolarHBondContact O-CB 3.38Å; N774-Y777 PolarHBondContact O-N 2.9Å; N774-W778 VanDerWaalsContact O-CD1 3.25Å; N774-W778 PolarHBondContact O-N 3.28Å
775L92.3Very high90.2Very high119 Ų11943.1 Ų43.162%0.62323%0.229SC*.Hα-helixtrans-60.8-44.6175.5-179.368.3000111H771 L772 Y773 Y777 W778 L779H771-L775 WeakPolarHBondContact O-CB 3.42Å; H771-L775 PolarHBondContact O-N 3.15Å; L772-L775 PolarHBondContact O-N 3.43Å; Y773-L775 PolarHBondContact O-N 3.32Å; L775-Y777 VanDerWaalsContact C-N 3.31Å; L775-Y777 PolarHBondContact O-N 3.14Å; L775-W778 PolarHBondContact O-N 2.97Å; L775-L779 WeakPolarHBondContact O-CB 3.4Å; L775-L779 PolarHBondContact O-N 3.43Å
776S94.5Very high91.4Very high4 Ų442.5 Ų42.53%0.02822%0.223CC..Hα-helixtrans-65.6-35.3177.877.10000112.6I751 L772 Y773 N774 L779 C780I751-S776 WeakPolarHBondContact CD1-OG 3.3Å; L772-S776 WeakPolarHBondContact O-CB 3.48Å; L772-S776 PolarHBondContact O-N 2.99Å; L772-S776 PolarHBondContact O-OG 2.96Å; Y773-S776 PolarHBondContact O-N 2.65Å; Y773-S776 VanDerWaalsContact O-N 3.16Å; Y773-S776 PolarHBondContact O-OG 3.09Å; N774-S776 VanDerWaalsContact C-N 3.34Å; N774-S776 PolarHBondContact O-N 3.29Å; S776-L779 WeakPolarHBondContact O-CB 3.34Å; S776-L779 PolarHBondContact O-N 3.1Å; S776-C780 PolarHBondContact O-N 3.13Å; S776-C780 VanDerWaalsContact O-N 3.14Å
777Y93.7Very high92.1Very high21 Ų2139.9 Ų39.98%0.08221%0.205CC..Hα-helixtrans-65.8-47.2175.2-154.2-88.8000111.6F71 D94 Y748 Y773 N774 L775 L779 C780 Y781F71-Y777 HydrophobicContact CD1-CD1 4.03Å; F71-Y777 HydrophobicContact CD1-CE1 4.4Å; F71-Y777 HydrophobicContact CD2-CD1 4.32Å; F71-Y777 HydrophobicContact CD2-CE1 4.18Å; F71-Y777 AromaticContact CE1-CD1 3.64Å; F71-Y777 HydrophobicContact CE1-CD1 3.64Å; F71-Y777 HydrophobicContact CE1-CE1 4.37Å; F71-Y777 HydrophobicContact CE1-CG 4.32Å; F71-Y777 AromaticContact CE2-CD1 3.99Å; F71-Y777 HydrophobicContact CE2-CD1 3.99Å; F71-Y777 HydrophobicContact CE2-CE1 4.18Å; F71-Y777 HydrophobicContact CE2-CG 4.49Å; F71-Y777 HydrophobicContact CG-CD1 4.35Å; F71-Y777 HydrophobicContact CG-CE1 4.3Å; F71-Y777 AromaticContact CZ-CD1 3.63Å; F71-Y777 HydrophobicContact CZ-CD1 3.63Å; F71-Y777 HydrophobicContact CZ-CE1 4.28Å; F71-Y777 HydrophobicContact CZ-CG 4.01Å; D94-Y777 PolarHBondContact OD2-OH 3.47Å; Y748-Y777 AromaticContact CD2-CD2 3.99Å; Y748-Y777 HydrophobicContact CD2-CD2 3.99Å; Y748-Y777 AromaticContact CE2-CD2 3.45Å; Y748-Y777 HydrophobicContact CE2-CD2 3.45Å; Y748-Y777 VanDerWaalsContact CE2-CD2 3.45Å; Y748-Y777 AromaticContact CE2-CE2 3.89Å; Y748-Y777 HydrophobicContact CE2-CE2 3.89Å; Y748-Y777 AromaticContact CZ-CD2 3.96Å; Y748-Y777 AromaticContact CZ-CE2 3.93Å; Y773-Y777 HydrophobicContact CE1-CD2 4.4Å; Y773-Y777 PolarHBondContact O-N 3.41Å; N774-Y777 WeakPolarHBondContact O-CB 3.38Å; N774-Y777 PolarHBondContact O-N 2.9Å; L775-Y777 VanDerWaalsContact C-N 3.31Å; L775-Y777 PolarHBondContact O-N 3.14Å; Y777-L779 PolarHBondContact O-N 3.39Å; Y777-C780 WeakPolarHBondContact O-CB 3.48Å; Y777-C780 PolarHBondContact O-N 2.88Å; Y777-Y781 HydrophobicContact CD1-CD2 4.2Å; Y777-Y781 AromaticContact CD1-CE2 3.74Å; Y777-Y781 HydrophobicContact CD1-CE2 3.74Å; Y777-Y781 HydrophobicContact CE1-CD2 4.44Å; Y777-Y781 HydrophobicContact CE1-CE1 4.14Å; Y777-Y781 AromaticContact CE1-CE2 3.61Å; Y777-Y781 HydrophobicContact CE1-CE2 3.61Å; Y777-Y781 AromaticContact CE1-CZ 3.45Å; Y777-Y781 VanDerWaalsContact CE1-CZ 3.45Å; Y777-Y781 WeakPolarHBondContact CE1-OH 3.43Å; Y777-Y781 PolarHBondContact O-N 2.88Å
778W95Very high92.3Very high39 Ų3937.2 Ų37.215%0.14819%0.187CC..Hα-helixtrans-60.7-34.4172.8-84.5109000112.2A21 V24 M68 F71 I72 N774 L775 C780 Y781 M782A21-W778 HydrophobicContact CB-CH2 3.43Å; A21-W778 VanDerWaalsContact CB-CH2 3.43Å; A21-W778 HydrophobicContact CB-CZ2 3.47Å; A21-W778 VanDerWaalsContact CB-CZ2 3.47Å; A21-W778 HydrophobicContact CB-CZ3 4.19Å; V24-W778 HydrophobicContact CB-CZ3 4.47Å; V24-W778 HydrophobicContact CG1-CE3 4.49Å; V24-W778 HydrophobicContact CG1-CZ3 4.21Å; M68-W778 HydrophobicContact CG-CZ3 4.44Å; F71-W778 AromaticContact CD1-CE2 3.83Å; F71-W778 AromaticContact CD1-CZ2 3.78Å; F71-W778 HydrophobicContact CD1-CZ2 3.78Å; F71-W778 AromaticContact CD1-NE1 3.91Å; F71-W778 AromaticContact CE1-CD1 3.89Å; F71-W778 HydrophobicContact CE1-CD2 4.48Å; F71-W778 AromaticContact CE1-CE2 3.83Å; F71-W778 HydrophobicContact CE1-CG 4.49Å; F71-W778 HydrophobicContact CE1-CZ2 4.24Å; F71-W778 AromaticContact CE1-NE1 3.45Å; I72-W778 HydrophobicContact CD1-CH2 4Å; I72-W778 HydrophobicContact CG1-CH2 3.67Å; I72-W778 HydrophobicContact CG1-CZ2 3.78Å; N774-W778 VanDerWaalsContact O-CD1 3.25Å; N774-W778 PolarHBondContact O-N 3.28Å; L775-W778 PolarHBondContact O-N 2.97Å; W778-C780 VanDerWaalsContact C-N 3.34Å; W778-C780 PolarHBondContact O-N 3.41Å; W778-Y781 HydrophobicContact CD2-CD2 4.39Å; W778-Y781 AromaticContact CE3-CD2 3.94Å; W778-Y781 HydrophobicContact CE3-CD2 3.94Å; W778-Y781 HydrophobicContact CZ3-CD2 4.02Å; W778-Y781 CarbonylContact O-C 3.55Å; W778-Y781 WeakPolarHBondContact O-CB 3.26Å; W778-Y781 PolarHBondContact O-N 3.49Å; W778-M782 WeakPolarHBondContact O-CG 3.5Å; W778-M782 PolarHBondContact O-N 3.26Å
779L95.4Very high92.4Very high41 Ų4143.1 Ų43.122%0.21521%0.211CC..Hα-helixtrans-66.1-35177.1-167.863.5000112.4F743 C744 P747 L775 S776 Y777 M782F743-L779 HydrophobicContact CD1-CD1 4.31Å; F743-L779 HydrophobicContact CE1-CD1 3.79Å; F743-L779 HydrophobicContact CZ-CD1 4.43Å; C744-L779 WeakPolarHBondContact CA-O 3.43Å; C744-L779 WeakPolarHBondContact CB-O 3.32Å; C744-L779 CarbonylContact O-C 3.6Å; C744-L779 PolarHBondContact SG-O 3.06Å; C744-L779 VanDerWaalsContact SG-O 3.41Å; P747-L779 HydrophobicContact CB-CD2 3.96Å; P747-L779 HydrophobicContact CG-CD2 3.6Å; L775-L779 WeakPolarHBondContact O-CB 3.4Å; L775-L779 PolarHBondContact O-N 3.43Å; S776-L779 WeakPolarHBondContact O-CB 3.34Å; S776-L779 PolarHBondContact O-N 3.1Å; Y777-L779 PolarHBondContact O-N 3.39Å; L779-M782 WeakPolarHBondContact O-CB 3.45Å; L779-M782 PolarHBondContact O-N 3.07Å
780C96.4Very high92.5Very high9 Ų940.5 Ų40.56%0.06120%0.198CC..Hα-helixtrans-60.5-48.1168.4-720000111.2C744 W745 Y748 S776 Y777 W778 M782 N783C744-C780 WeakPolarHBondContact O-CA 3.46Å; C744-C780 PolarHBondContact O-N 3.45Å; W745-C780 HydrophobicContact CE3-CB 4.3Å; W745-C780 HydrophobicContact CZ3-CB 4.29Å; Y748-C780 WeakPolarHBondContact CB-SG 3.44Å; S776-C780 PolarHBondContact O-N 3.13Å; S776-C780 VanDerWaalsContact O-N 3.14Å; Y777-C780 WeakPolarHBondContact O-CB 3.48Å; Y777-C780 PolarHBondContact O-N 2.88Å; W778-C780 VanDerWaalsContact C-N 3.34Å; W778-C780 PolarHBondContact O-N 3.41Å; C780-M782 PolarHBondContact O-N 3.02Å; C780-N783 WeakPolarHBondContact O-CB 3.5Å; C780-N783 PolarHBondContact O-N 3.15Å
781Y96.5Very high92.5Very high4 Ų436.1 Ų36.12%0.01618%0.175CC..Hα-helixtrans-60.7-31.3177-77.7-21.3000113.4I63 S67 M68 F71 D94 Y777 W778 N783 S784 P785I63-Y781 HydrophobicContact CG2-CD1 3.7Å; I63-Y781 HydrophobicContact CG2-CE1 3.89Å; S67-Y781 VanDerWaalsContact CB-OH 3.3Å; S67-Y781 WeakPolarHBondContact CB-OH 3.43Å; S67-Y781 PolarHBondContact O-OH 3.48Å; M68-Y781 HydrophobicContact CE-CD1 4.41Å; M68-Y781 HydrophobicContact CE-CG 4.03Å; M68-Y781 VanDerWaalsContact CE-O 3.26Å; M68-Y781 WeakPolarHBondContact CE-O 3.46Å; M68-Y781 HydrophobicContact CG-CD1 4.35Å; M68-Y781 HydrophobicContact CG-CD2 3.92Å; M68-Y781 HydrophobicContact CG-CE2 4.15Å; M68-Y781 HydrophobicContact CG-CG 4.01Å; F71-Y781 HydrophobicContact CB-CE2 4.03Å; F71-Y781 HydrophobicContact CD1-CD2 4.39Å; F71-Y781 AromaticContact CD1-CE2 3.73Å; F71-Y781 HydrophobicContact CD1-CE2 3.73Å; F71-Y781 HydrophobicContact CE1-CE2 4.47Å; F71-Y781 HydrophobicContact CG-CE2 4.05Å; D94-Y781 PolarHBondContact OD1-OH 3.07Å; D94-Y781 PolarHBondContact OD2-OH 2.92Å; Y777-Y781 HydrophobicContact CD1-CD2 4.2Å; Y777-Y781 AromaticContact CD1-CE2 3.74Å; Y777-Y781 HydrophobicContact CD1-CE2 3.74Å; Y777-Y781 HydrophobicContact CE1-CD2 4.44Å; Y777-Y781 HydrophobicContact CE1-CE1 4.14Å; Y777-Y781 AromaticContact CE1-CE2 3.61Å; Y777-Y781 HydrophobicContact CE1-CE2 3.61Å; Y777-Y781 AromaticContact CE1-CZ 3.45Å; Y777-Y781 VanDerWaalsContact CE1-CZ 3.45Å; Y777-Y781 WeakPolarHBondContact CE1-OH 3.43Å; Y777-Y781 PolarHBondContact O-N 2.88Å; W778-Y781 HydrophobicContact CD2-CD2 4.39Å; W778-Y781 AromaticContact CE3-CD2 3.94Å; W778-Y781 HydrophobicContact CE3-CD2 3.94Å; W778-Y781 HydrophobicContact CZ3-CD2 4.02Å; W778-Y781 CarbonylContact O-C 3.55Å; W778-Y781 WeakPolarHBondContact O-CB 3.26Å; W778-Y781 PolarHBondContact O-N 3.49Å; Y781-N783 PolarHBondContact O-N 3.27Å; Y781-N783 VanDerWaalsContact O-N 3.13Å; Y781-S784 PolarHBondContact O-N 3.09Å; Y781-P785 WeakPolarHBondContact O-CD 3.42Å
782M95.3Very high92.4Very high65 Ų6533.6 Ų33.632%0.3217%0.168SC..THydrogen-bonded Turntrans-62.4-16.4175.2-72.7-57.5-63.400113.7V24 W778 L779 C780 S784 P785 I786V24-M782 HydrophobicContact CB-SD 4.42Å; V24-M782 HydrophobicContact CG1-SD 3.73Å; V24-M782 HydrophobicContact CG2-SD 3.71Å; W778-M782 WeakPolarHBondContact O-CG 3.5Å; W778-M782 PolarHBondContact O-N 3.26Å; L779-M782 WeakPolarHBondContact O-CB 3.45Å; L779-M782 PolarHBondContact O-N 3.07Å; C780-M782 PolarHBondContact O-N 3.02Å; M782-S784 VanDerWaalsContact C-N 3.29Å; M782-S784 PolarHBondContact O-N 3.46Å; M782-P785 HydrophobicContact CE-CG 4.2Å; M782-P785 VanDerWaalsContact O-CD 3.23Å; M782-P785 WeakPolarHBondContact O-CD 3.25Å; M782-P785 WeakPolarHBondContact O-CG 3.38Å; M782-P785 HydrophobicContact SD-CG 4.19Å; M782-I786 HydrophobicContact CB-CD1 4.5Å; M782-I786 WeakPolarHBondContact O-CD1 3.27Å; M782-I786 WeakPolarHBondContact O-CG1 3.32Å; M782-I786 PolarHBondContact O-N 3.08Å
783N95Very high91.9Very high1 Ų135.9 Ų35.91%0.00518%0.18CC..Hα-helixtrans-60.3-39.8173.6-169.556.7000112.1C744 W745 C780 Y781 I786 N787C744-N783 HydrophobicContact CB-CB 3.76Å; W745-N783 PolarHBondContact NE1-ND2 3.27Å; W745-N783 VanDerWaalsContact NE1-ND2 3.15Å; C780-N783 WeakPolarHBondContact O-CB 3.5Å; C780-N783 PolarHBondContact O-N 3.15Å; Y781-N783 PolarHBondContact O-N 3.27Å; Y781-N783 VanDerWaalsContact O-N 3.13Å; N783-I786 PolarHBondContact O-N 3.45Å; N783-N787 PolarHBondContact O-N 2.91Å; N783-N787 PolarHBondContact O-ND2 3.47Å
784S96.1Very high91.1Very high3 Ų334.6 Ų34.62%0.02118%0.178CC..Hα-helixtrans-67.3-45.5-176.5-61.70000115N32 D60 Y781 M782 I786 P788N32-S784 PolarHBondContact ND2-O 2.84Å; D60-S784 VanDerWaalsContact OD1-CB 3.3Å; D60-S784 WeakPolarHBondContact OD1-CB 3.36Å; D60-S784 PolarHBondContact OD1-OG 2.09Å; Y781-S784 PolarHBondContact O-N 3.09Å; M782-S784 VanDerWaalsContact C-N 3.29Å; M782-S784 PolarHBondContact O-N 3.46Å; S784-I786 VanDerWaalsContact C-N 3.32Å; S784-I786 PolarHBondContact O-N 2.03Å; S784-P788 WeakPolarHBondContact O-CD 3.49Å
785P95.3Very high90.2Very high8 Ų836 Ų365%0.05219%0.186CC..Hα-helixtrans-71.5-23.8174.326.8-34000113.1V24 T28 Y781 M782 N787 P788 F789V24-P785 HydrophobicContact CG1-CG 4.29Å; T28-P785 WeakPolarHBondContact OG1-CB 3.41Å; T28-P785 VanDerWaalsContact OG1-CD 3.29Å; T28-P785 WeakPolarHBondContact OG1-CD 3.33Å; Y781-P785 WeakPolarHBondContact O-CD 3.42Å; M782-P785 HydrophobicContact CE-CG 4.2Å; M782-P785 VanDerWaalsContact O-CD 3.23Å; M782-P785 WeakPolarHBondContact O-CD 3.25Å; M782-P785 WeakPolarHBondContact O-CG 3.38Å; M782-P785 HydrophobicContact SD-CG 4.19Å; P785-N787 VanDerWaalsContact C-N 3.32Å; P785-N787 PolarHBondContact O-N 3.22Å; P785-P788 WeakPolarHBondContact O-CD 3.27Å; P785-F789 WeakPolarHBondContact O-CD2 3.32Å; P785-F789 VanDerWaalsContact O-CE2 3.32Å; P785-F789 WeakPolarHBondContact O-CE2 3.47Å
786I94.5Very high89.4Confident47 Ų4733.2 Ų33.224%0.24117%0.171CC..Hα-helixtrans-69.6-29178.2-70.9168000112.1A740 M782 N783 S784 F789 C790A740-I786 HydrophobicContact CB-CG2 3.7Å; M782-I786 HydrophobicContact CB-CD1 4.5Å; M782-I786 WeakPolarHBondContact O-CD1 3.27Å; M782-I786 WeakPolarHBondContact O-CG1 3.32Å; M782-I786 PolarHBondContact O-N 3.08Å; N783-I786 PolarHBondContact O-N 3.45Å; S784-I786 VanDerWaalsContact C-N 3.32Å; S784-I786 PolarHBondContact O-N 2.03Å; I786-F789 WeakPolarHBondContact O-CB 3.5Å; I786-F789 PolarHBondContact O-N 3.28Å; I786-C790 PolarHBondContact O-N 2.78Å; I786-C790 PolarHBondContact O-SG 3.13Å; I786-C790 VanDerWaalsContact O-SG 3.4Å
787N92.1Very high88.4Confident0 Ų036 Ų360%019%0.19CC..Hα-helixtrans-58-52.9-174.8-75.3-28.6000114L56 D60 N783 P785 F789 C790 Y791L56-N787 WeakPolarHBondContact CD2-ND2 3.28Å; D60-N787 PolarHBondContact OD2-ND2 2.96Å; N783-N787 PolarHBondContact O-N 2.91Å; N783-N787 PolarHBondContact O-ND2 3.47Å; P785-N787 VanDerWaalsContact C-N 3.32Å; P785-N787 PolarHBondContact O-N 3.22Å; N787-F789 VanDerWaalsContact C-N 3.26Å; N787-F789 PolarHBondContact O-N 2.92Å; N787-C790 WeakPolarHBondContact O-CA 3.35Å; N787-C790 WeakPolarHBondContact O-CB 3.39Å; N787-C790 PolarHBondContact O-N 3.48Å; N787-Y791 HydrophobicContact CB-CE2 3.96Å; N787-Y791 WeakPolarHBondContact O-CD2 3.42Å; N787-Y791 WeakPolarHBondContact O-CE2 3.05Å; N787-Y791 PolarHBondContact O-N 3.46Å
788P91.5Very high87.5Confident10 Ų1035.4 Ų35.47%0.06519%0.188CC..Hα-helixtrans-51.1-41.7174.3-29.834.8000113.9G31 V35 S784 P785 Y791 A792G31-P788 VanDerWaalsContact C-CG 3.41Å; V35-P788 HydrophobicContact CG2-CB 4.28Å; V35-P788 HydrophobicContact CG2-CG 4.3Å; S784-P788 WeakPolarHBondContact O-CD 3.49Å; P785-P788 WeakPolarHBondContact O-CD 3.27Å; P788-Y791 PolarHBondContact O-N 3.19Å; P788-A792 WeakPolarHBondContact O-CB 3Å; P788-A792 PolarHBondContact O-N 3.16Å
789F88.5Confident86.8Confident139 Ų13936.8 Ų36.861%0.6119%0.193SC*.Hα-helixtrans-66-42.4176.9-61.8-77.6000111.7P785 I786 N787 Y791 A792 L793P785-F789 WeakPolarHBondContact O-CD2 3.32Å; P785-F789 VanDerWaalsContact O-CE2 3.32Å; P785-F789 WeakPolarHBondContact O-CE2 3.47Å; I786-F789 WeakPolarHBondContact O-CB 3.5Å; I786-F789 PolarHBondContact O-N 3.28Å; N787-F789 VanDerWaalsContact C-N 3.26Å; N787-F789 PolarHBondContact O-N 2.92Å; F789-Y791 VanDerWaalsContact C-N 3.27Å; F789-Y791 PolarHBondContact O-N 3.36Å; F789-A792 PolarHBondContact O-N 3.49Å; F789-L793 WeakPolarHBondContact O-CB 3.38Å; F789-L793 VanDerWaalsContact O-CG 3.27Å; F789-L793 WeakPolarHBondContact O-CG 3.5Å; F789-L793 PolarHBondContact O-N 3.23Å
790C89.1Confident86.1Confident9 Ų942.9 Ų42.96%0.06121%0.213CC..Hα-helixtrans-56.8-42.9174.7-69.50000111.2I737 I786 N787 S794I737-C790 HydrophobicContact CG1-CB 4.14Å; I786-C790 PolarHBondContact O-N 2.78Å; I786-C790 PolarHBondContact O-SG 3.13Å; I786-C790 VanDerWaalsContact O-SG 3.4Å; N787-C790 WeakPolarHBondContact O-CA 3.35Å; N787-C790 WeakPolarHBondContact O-CB 3.39Å; N787-C790 PolarHBondContact O-N 3.48Å; C790-S794 WeakPolarHBondContact O-CB 3.12Å; C790-S794 PolarHBondContact O-N 2.91Å; C790-S794 VanDerWaalsContact O-N 3.14Å; C790-S794 PolarHBondContact O-OG 3.41Å
791Y85.4Confident85.2Confident7 Ų742.8 Ų42.83%0.02721%0.212CC..Hα-helixtrans-69.3-43.5178.5-59.4-51.8000113V35 I53 L56 I737 N787 P788 F789 L793 S794 N795V35-Y791 HydrophobicContact CG2-CD2 4.22Å; I53-Y791 HydrophobicContact CB-CE1 4.4Å; I53-Y791 HydrophobicContact CD1-CD1 4.19Å; I53-Y791 HydrophobicContact CD1-CE1 3.85Å; I53-Y791 HydrophobicContact CG1-CE1 3.8Å; I53-Y791 HydrophobicContact CG2-CD1 4.27Å; I53-Y791 HydrophobicContact CG2-CD2 4.24Å; I53-Y791 HydrophobicContact CG2-CE1 3.82Å; I53-Y791 HydrophobicContact CG2-CE2 3.79Å; I53-Y791 HydrophobicContact CG2-CG 4.47Å; L56-Y791 WeakPolarHBondContact CD2-OH 3.19Å; I737-Y791 HydrophobicContact CD1-CE1 3.89Å; N787-Y791 HydrophobicContact CB-CE2 3.96Å; N787-Y791 WeakPolarHBondContact O-CD2 3.42Å; N787-Y791 WeakPolarHBondContact O-CE2 3.05Å; N787-Y791 PolarHBondContact O-N 3.46Å; P788-Y791 PolarHBondContact O-N 3.19Å; F789-Y791 VanDerWaalsContact C-N 3.27Å; F789-Y791 PolarHBondContact O-N 3.36Å; Y791-L793 PolarHBondContact O-N 2.97Å; Y791-S794 PolarHBondContact O-N 2.78Å; Y791-N795 WeakPolarHBondContact O-CB 3.16Å; Y791-N795 PolarHBondContact O-N 3.29Å
792A83.6Confident84.4Confident22 Ų2245.4 Ų45.418%0.18222%0.224CC..Hα-helixtrans-64.4-38.3179.300000112.7P788 F789 R799P788-A792 WeakPolarHBondContact O-CB 3Å; P788-A792 PolarHBondContact O-N 3.16Å; F789-A792 PolarHBondContact O-N 3.49Å; A792-R799 WeakPolarHBondContact O-CB 3.45Å; A792-R799 WeakPolarHBondContact O-CD 3.32Å
793L79.7Confident83.6Confident140 Ų14047.6 Ų47.673%0.73323%0.232SC*.Hα-helixtrans-76.1-32.7179.6-68.6174.7000112.8F789 Y791F789-L793 WeakPolarHBondContact O-CB 3.38Å; F789-L793 VanDerWaalsContact O-CG 3.27Å; F789-L793 WeakPolarHBondContact O-CG 3.5Å; F789-L793 PolarHBondContact O-N 3.23Å; Y791-L793 PolarHBondContact O-N 2.97Å
794S74.2Confident82.9Confident23 Ų2349.9 Ų49.916%0.16124%0.24CC..Hα-helixtrans-100.7-25-168.172.90000114.1T733 C790 Y791T733-S794 WeakPolarHBondContact CB-OG 3.27Å; T733-S794 WeakPolarHBondContact CG2-OG 3.07Å; C790-S794 WeakPolarHBondContact O-CB 3.12Å; C790-S794 PolarHBondContact O-N 2.91Å; C790-S794 VanDerWaalsContact O-N 3.14Å; C790-S794 PolarHBondContact O-OG 3.41Å; Y791-S794 PolarHBondContact O-N 2.78Å
795N71.2Confident82.2Confident46 Ų4650.4 Ų50.425%0.24624%0.243CC..  trans-121.7108.2-176.7-169.7-33.1000112Y791 S797 F798 R799Y791-N795 WeakPolarHBondContact O-CB 3.16Å; Y791-N795 PolarHBondContact O-N 3.29Å; N795-S797 PolarHBondContact O-N 3.28Å; N795-S797 WeakPolarHBondContact OD1-CB 3.42Å; N795-S797 PolarHBondContact OD1-N 3.42Å; N795-F798 HydrophobicContact CB-CB 4.17Å; N795-F798 HydrophobicContact CB-CD2 3.92Å; N795-F798 WeakPolarHBondContact ND2-CD2 3.25Å; N795-F798 PolarHBondContact O-N 2.92Å; N795-F798 PolarHBondContact OD1-N 3.4Å; N795-R799 PolarHBondContact O-N 2.83Å
796I74.8Confident81.5Confident60 Ų6055.1 Ų55.131%0.30827%0.267SS..Hα-helixtrans-57-35.4-179.8-62.1168.4000111.9R799 R800I796-R799 PolarHBondContact O-N 3.37Å; I796-R800 HydrophobicContact CG2-CG 4.44Å; I796-R800 WeakPolarHBondContact O-CB 3.37Å; I796-R800 WeakPolarHBondContact O-CG 3.4Å; I796-R800 PolarHBondContact O-N 3.48Å
797S72.3Confident81Confident62 Ų6259.1 Ų59.143%0.43428%0.282SS..Hα-helixtrans-67.2-49.1178.8-57.70000110.7N795 R799 R800 T801N795-S797 PolarHBondContact O-N 3.28Å; N795-S797 WeakPolarHBondContact OD1-CB 3.42Å; N795-S797 PolarHBondContact OD1-N 3.42Å; S797-R799 VanDerWaalsContact C-N 3.32Å; S797-R799 PolarHBondContact O-N 2.67Å; S797-R800 PolarHBondContact O-N 3.38Å; S797-T801 PolarHBondContact O-N 3.48Å; S797-T801 PolarHBondContact O-OG1 2.78Å; S797-T801 VanDerWaalsContact O-OG1 3.06Å
798F74.9Confident80.4Confident8 Ų863.6 Ų63.64%0.03531%0.313CS..Hα-helixtrans-59.4-44.4173.5-86.2-77.7000111.2V35 L45 I53 N795 R800 T801 F802V35-F798 HydrophobicContact CG1-CE1 4.36Å; L45-F798 HydrophobicContact CD1-CD1 4Å; L45-F798 HydrophobicContact CD1-CE1 3.82Å; L45-F798 HydrophobicContact CD1-CZ 4.21Å; L45-F798 HydrophobicContact CD2-CD2 4.23Å; L45-F798 HydrophobicContact CD2-CE2 4.08Å; L45-F798 HydrophobicContact CD2-CZ 4.26Å; I53-F798 HydrophobicContact CD1-CE2 4.06Å; I53-F798 HydrophobicContact CD1-CZ 4.39Å; I53-F798 HydrophobicContact CG2-CZ 4.11Å; N795-F798 HydrophobicContact CB-CB 4.17Å; N795-F798 HydrophobicContact CB-CD2 3.92Å; N795-F798 WeakPolarHBondContact ND2-CD2 3.25Å; N795-F798 PolarHBondContact O-N 2.92Å; N795-F798 PolarHBondContact OD1-N 3.4Å; F798-R800 PolarHBondContact O-N 3.17Å; F798-T801 PolarHBondContact O-N 3Å; F798-F802 WeakPolarHBondContact O-CB 3.4Å; F798-F802 PolarHBondContact O-N 3.47Å
799R80.7Confident79.7Confident69 Ų6966.7 Ų66.726%0.2633%0.329SS..Hα-helixtrans-55.6-48.2177.6-167.6176751706.5112.3S283 A792 N795 I796 S797 F802 F803S283-R799 PolarHBondContact O-NH2 3.5Å; A792-R799 WeakPolarHBondContact O-CB 3.45Å; A792-R799 WeakPolarHBondContact O-CD 3.32Å; N795-R799 PolarHBondContact O-N 2.83Å; I796-R799 PolarHBondContact O-N 3.37Å; S797-R799 VanDerWaalsContact C-N 3.32Å; S797-R799 PolarHBondContact O-N 2.67Å; R799-F802 WeakPolarHBondContact O-CB 3.14Å; R799-F802 PolarHBondContact O-N 3.34Å; R799-F803 HydrophobicContact CG-CD2 3.89Å; R799-F803 HydrophobicContact CG-CE2 3.7Å; R799-F803 WeakPolarHBondContact O-CD2 3.3Å; R799-F803 PolarHBondContact O-N 3.39Å
800R80.8Confident78.9Confident168 Ų16865.2 Ų65.263%0.63432%0.322SS*.Hα-helixtrans-63.5-46.7178.5-76.1176.8176.5176.3-1.3111.6I796 S797 F798 F802 F803 R804I796-R800 HydrophobicContact CG2-CG 4.44Å; I796-R800 WeakPolarHBondContact O-CB 3.37Å; I796-R800 WeakPolarHBondContact O-CG 3.4Å; I796-R800 PolarHBondContact O-N 3.48Å; S797-R800 PolarHBondContact O-N 3.38Å; F798-R800 PolarHBondContact O-N 3.17Å; R800-F802 VanDerWaalsContact C-N 3.3Å; R800-F802 PolarHBondContact O-N 3.48Å; R800-F803 PolarHBondContact O-N 2.77Å; R800-R804 WeakPolarHBondContact O-CB 3.37Å; R800-R804 PolarHBondContact O-N 3.44Å
801T77.7Confident77.6Confident8 Ų872.3 Ų72.35%0.04936%0.355CS..Hα-helixtrans-62.6-39.5177.2-560000111.3A38 E42 L45 S797 F798 R804 I805A38-T801 HydrophobicContact CB-CG2 3.66Å; E42-T801 HydrophobicContact CB-CG2 4.16Å; L45-T801 HydrophobicContact CD1-CG2 4.36Å; S797-T801 PolarHBondContact O-N 3.48Å; S797-T801 PolarHBondContact O-OG1 2.78Å; S797-T801 VanDerWaalsContact O-OG1 3.06Å; F798-T801 PolarHBondContact O-N 3Å; T801-R804 PolarHBondContact O-N 3.1Å; T801-I805 HydrophobicContact CG2-CD1 3.81Å; T801-I805 HydrophobicContact CG2-CG1 4.4Å; T801-I805 VanDerWaalsContact O-CG1 3.27Å; T801-I805 WeakPolarHBondContact O-CG1 3.22Å; T801-I805 PolarHBondContact O-N 3.24Å
802F79.5Confident76.2Confident58 Ų5880.1 Ų80.125%0.25439%0.389SS..Hα-helixtrans-61.2-51.5177.1-166.7-95.9000111.4V34 F798 R799 R800 R804 I805 L806V34-F802 HydrophobicContact CB-CD2 4.39Å; V34-F802 HydrophobicContact CB-CE2 3.97Å; V34-F802 HydrophobicContact CG1-CD2 3.37Å; V34-F802 HydrophobicContact CG1-CE2 3.38Å; V34-F802 HydrophobicContact CG1-CG 4.4Å; V34-F802 HydrophobicContact CG1-CZ 4.44Å; F798-F802 WeakPolarHBondContact O-CB 3.4Å; F798-F802 PolarHBondContact O-N 3.47Å; R799-F802 WeakPolarHBondContact O-CB 3.14Å; R799-F802 PolarHBondContact O-N 3.34Å; R800-F802 VanDerWaalsContact C-N 3.3Å; R800-F802 PolarHBondContact O-N 3.48Å; F802-R804 VanDerWaalsContact C-N 3.27Å; F802-R804 PolarHBondContact O-N 3.17Å; F802-I805 PolarHBondContact O-N 3.35Å; F802-L806 HydrophobicContact CD1-CD1 3.66Å; F802-L806 HydrophobicContact CD1-CG 4.25Å; F802-L806 HydrophobicContact CE1-CD1 3.44Å; F802-L806 VanDerWaalsContact CE1-CD1 3.44Å; F802-L806 HydrophobicContact CE1-CG 4.14Å; F802-L806 HydrophobicContact CZ-CD1 4.32Å; F802-L806 WeakPolarHBondContact O-CG 3.46Å; F802-L806 PolarHBondContact O-N 3.44Å
803F79.9Confident74.7Confident112 Ų11291.5 Ų91.549%0.49143%0.427SS..Hα-helixtrans-61.9-34.3175.3-80.8-65000113R799 R800 K807R799-F803 HydrophobicContact CG-CD2 3.89Å; R799-F803 HydrophobicContact CG-CE2 3.7Å; R799-F803 WeakPolarHBondContact O-CD2 3.3Å; R799-F803 PolarHBondContact O-N 3.39Å; R800-F803 PolarHBondContact O-N 2.77Å; F803-K807 WeakPolarHBondContact O-CG 3.4Å; F803-K807 PolarHBondContact O-N 3.3Å; F803-K807 VanDerWaalsContact O-N 3.09Å
804R80.2Confident74.4Confident48 Ų4889.1 Ų89.118%0.18141%0.412CS..Hα-helixtrans-67-45.1175.9-168.5-17560.7-156.6-8.1111.6E42 R800 T801 F802 K807 C808 D809E42-R804 IonicContact OE2-CZ 3.1Å; E42-R804 IonicContact OE2-NH1 3.49Å; E42-R804 PolarHBondContact OE2-NH1 3.09Å; E42-R804 IonicContact OE2-NH2 2.98Å; E42-R804 PolarHBondContact OE2-NH2 3.44Å; R800-R804 WeakPolarHBondContact O-CB 3.37Å; R800-R804 PolarHBondContact O-N 3.44Å; T801-R804 PolarHBondContact O-N 3.1Å; F802-R804 VanDerWaalsContact C-N 3.27Å; F802-R804 PolarHBondContact O-N 3.17Å; R804-K807 CarbonylContact O-C 3.32Å; R804-K807 PolarHBondContact O-N 2.76Å; R804-K807 VanDerWaalsContact O-N 3.13Å; R804-C808 PolarHBondContact O-N 3.28Å; R804-D809 WeakPolarHBondContact CD-O 3.44Å; R804-D809 HydrophobicContact CG-CB 3.68Å; R804-D809 VanDerWaalsContact CG-O 3.24Å; R804-D809 WeakPolarHBondContact CG-O 3.49Å; R804-D809 PolarHBondContact O-N 2.9Å; R804-D809 VanDerWaalsContact O-N 3.08Å
805I80Confident74.4Confident15 Ų1592.6 Ų92.68%0.07743%0.425CS..Hα-helixtrans-62.9-42.7176.2-69.3166000110.7V34 I37 A38 T801 F802 K807 C808 F810V34-I805 HydrophobicContact CG1-CD1 4.38Å; V34-I805 HydrophobicContact CG1-CG2 4.21Å; I37-I805 HydrophobicContact CG2-CD1 4.08Å; A38-I805 HydrophobicContact CB-CD1 3.7Å; T801-I805 HydrophobicContact CG2-CD1 3.81Å; T801-I805 HydrophobicContact CG2-CG1 4.4Å; T801-I805 VanDerWaalsContact O-CG1 3.27Å; T801-I805 WeakPolarHBondContact O-CG1 3.22Å; T801-I805 PolarHBondContact O-N 3.24Å; F802-I805 PolarHBondContact O-N 3.35Å; I805-K807 PolarHBondContact O-N 3.17Å; I805-C808 WeakPolarHBondContact O-CA 3.48Å; I805-C808 PolarHBondContact O-N 3.49Å; I805-F810 HydrophobicContact CG1-CE1 4.36Å; I805-F810 HydrophobicContact CG2-CE1 4.12Å; I805-F810 HydrophobicContact CG2-CZ 4.37Å
806L81.2Confident74.6Confident106 Ų10695.2 Ų95.256%0.55544%0.435SS*.Hα-helixtrans-63.6-26.6175.1-73.1179000113.3F802F802-L806 HydrophobicContact CD1-CD1 3.66Å; F802-L806 HydrophobicContact CD1-CG 4.25Å; F802-L806 HydrophobicContact CE1-CD1 3.44Å; F802-L806 VanDerWaalsContact CE1-CD1 3.44Å; F802-L806 HydrophobicContact CE1-CG 4.14Å; F802-L806 HydrophobicContact CZ-CD1 4.32Å; F802-L806 WeakPolarHBondContact O-CG 3.46Å; F802-L806 PolarHBondContact O-N 3.44Å
807K83.1Confident74.6Confident131 Ų13197.2 Ų97.257%0.5744%0.443SS*.THydrogen-bonded Turntrans-83.75.7171.6-73.2-178.8178-1780113.3C294 F803 R804 I805 D809C294-K807 PolarHBondContact SG-NZ 2.64Å; F803-K807 WeakPolarHBondContact O-CG 3.4Å; F803-K807 PolarHBondContact O-N 3.3Å; F803-K807 VanDerWaalsContact O-N 3.09Å; R804-K807 CarbonylContact O-C 3.32Å; R804-K807 PolarHBondContact O-N 2.76Å; R804-K807 VanDerWaalsContact O-N 3.13Å; I805-K807 PolarHBondContact O-N 3.17Å; K807-D809 PolarHBondContact O-N 3.49Å; K807-D809 VanDerWaalsContact O-N 3.11Å
808C80.1Confident74.7Confident95 Ų9599.4 Ų99.464%0.64244%0.443SS*.THydrogen-bonded Turntrans54.723.9-174.8-62.70000114.1R804 I805 F810R804-C808 PolarHBondContact O-N 3.28Å; I805-C808 WeakPolarHBondContact O-CA 3.48Å; I805-C808 PolarHBondContact O-N 3.49Å; C808-F810 HydrophobicContact CB-CD2 4.49Å; C808-F810 HydrophobicContact CB-CE2 3.98Å; C808-F810 VanDerWaalsContact O-CD2 3.24Å; C808-F810 WeakPolarHBondContact O-CD2 3.43Å; C808-F810 PolarHBondContact O-N 3.2Å; C808-F810 VanDerWaalsContact O-N 3.17Å
809D77.5Confident74.7Confident74 Ų74105.5 Ų105.540%0.39647%0.47SS..  trans-86.887.6176.8177.116.1000109.7R804 K807 Q811R804-D809 WeakPolarHBondContact CD-O 3.44Å; R804-D809 HydrophobicContact CG-CB 3.68Å; R804-D809 VanDerWaalsContact CG-O 3.24Å; R804-D809 WeakPolarHBondContact CG-O 3.49Å; R804-D809 PolarHBondContact O-N 2.9Å; R804-D809 VanDerWaalsContact O-N 3.08Å; K807-D809 PolarHBondContact O-N 3.49Å; K807-D809 VanDerWaalsContact O-N 3.11Å; D809-Q811 VanDerWaalsContact C-N 3.32Å; D809-Q811 PolarHBondContact OD1-N 3.27Å
810F71.8Confident74.3Confident108 Ų108108.1 Ų108.147%0.47449%0.485SS..  trans-91.612.5-179.1-62-72.9000113.5I41 I805 C808 K812I41-F810 HydrophobicContact CD1-CD1 3.73Å; I41-F810 HydrophobicContact CD1-CE1 4.14Å; I805-F810 HydrophobicContact CG1-CE1 4.36Å; I805-F810 HydrophobicContact CG2-CE1 4.12Å; I805-F810 HydrophobicContact CG2-CZ 4.37Å; C808-F810 HydrophobicContact CB-CD2 4.49Å; C808-F810 HydrophobicContact CB-CE2 3.98Å; C808-F810 VanDerWaalsContact O-CD2 3.24Å; C808-F810 WeakPolarHBondContact O-CD2 3.43Å; C808-F810 PolarHBondContact O-N 3.2Å; C808-F810 VanDerWaalsContact O-N 3.17Å; F810-K812 PolarHBondContact O-N 3.07Å
811Q61.5Low73.8Confident159 Ų159103.5 Ų103.574%0.74347%0.474SS*.  trans-66122.1177.7-68.9-168.4-16.500110.4D809 R813D809-Q811 VanDerWaalsContact C-N 3.32Å; D809-Q811 PolarHBondContact OD1-N 3.27Å; Q811-R813 PolarHBondContact O-N 2.83Å
812K54.8Low73.5Confident171 Ų171111.5 Ų111.574%0.74351%0.509SS*.  trans-64.4128.6177-74.6175.5179.1167.30109.3F810F810-K812 PolarHBondContact O-N 3.07Å
813R52.3Low72.9Confident261 Ų261116.4 Ų116.499%0.98553%0.532SS*.  trans-97.50161-97.3-171.3-179.2-173.9-0.1110.8Q811Q811-R813 PolarHBondContact O-N 2.83Å

Retrieved 813 of 813 residues in 154 ms (Link to these results)

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