A0A087XJB8_POEFO Loading...

dolichyl-phosphate-mannose--protein mannosyltransferase

AlphaFold DB , UniProt , Accession A0A087XJB8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 854 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
1M73Confident93.6Very high173 Ų17364.6 Ų64.685%0.85236%0.362SS*.  0-55.60-69.6-176.973.200111.9T3 E4 L5M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.34Å; M1-E4 WeakPolarHBondContact CA-OE2 3.44Å; M1-E4 PolarHBondContact N-OE2 3.17Å; M1-E4 PolarHBondContact O-N 2.95Å; M1-L5 VanDerWaalsContact O-CG 3.3Å; M1-L5 WeakPolarHBondContact O-CG 3.39Å; M1-L5 PolarHBondContact O-N 2.93Å
2I87Confident94Very high139 Ų13963.1 Ų63.171%0.71336%0.355SS*.Hα-helixtrans-55.7-46.8-178.9-59.2173.3000112.1L5 V6I2-L5 PolarHBondContact O-N 2.97Å; I2-V6 HydrophobicContact CG2-CG2 4.42Å; I2-V6 WeakPolarHBondContact O-CG2 3.1Å; I2-V6 PolarHBondContact O-N 3.22Å
3T91.9Very high94.3Very high33 Ų3361.2 Ų61.220%0.20236%0.358CS..Hα-helixtrans-65.3-40.6179.832.30000113.1M1 V6 C7 H107 L117M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.34Å; T3-V6 PolarHBondContact O-N 2.74Å; T3-C7 PolarHBondContact O-N 2.86Å; T3-C7 VanDerWaalsContact O-N 3.09Å; T3-C7 PolarHBondContact O-SG 3.4Å; T3-H107 PolarHBondContact OG1-CE1 3.02Å; T3-H107 PolarHBondContact OG1-NE2 3.45Å; T3-L117 HydrophobicContact CG2-CB 4.09Å; T3-L117 HydrophobicContact CG2-CD1 4.26Å
4E93.4Very high94.6Very high41 Ų4158.8 Ų58.819%0.19234%0.343CS..Hα-helixtrans-63-42.7173.5-60.289.8153.500111.6M1 T8 T103 A104 H107M1-E4 WeakPolarHBondContact CA-OE2 3.44Å; M1-E4 PolarHBondContact N-OE2 3.17Å; M1-E4 PolarHBondContact O-N 2.95Å; E4-T8 WeakPolarHBondContact O-CB 3.3Å; E4-T8 PolarHBondContact O-N 3.08Å; E4-T8 PolarHBondContact O-OG1 3.34Å; E4-T103 HydrophobicContact CG-CG2 4.08Å; E4-A104 HydrophobicContact CG-CB 4.41Å; E4-H107 IonicContact OE1-CE1 3.87Å; E4-H107 PolarHBondContact OE1-CE1 2.96Å; E4-H107 VanDerWaalsContact OE1-CE1 3.24Å; E4-H107 IonicContact OE1-ND1 2.8Å; E4-H107 PolarHBondContact OE1-ND1 3.37Å; E4-H107 IonicContact OE2-CE1 2.91Å; E4-H107 PolarHBondContact OE2-CE1 3.46Å; E4-H107 IonicContact OE2-ND1 3.87Å
5L95.6Very high94.9Very high114 Ų11454.9 Ų54.960%0.59732%0.32SS*.Hα-helixtrans-64-42.6177.7-70.7168.8000112M1 I2 T8 A9M1-L5 VanDerWaalsContact O-CG 3.3Å; M1-L5 WeakPolarHBondContact O-CG 3.39Å; M1-L5 PolarHBondContact O-N 2.93Å; I2-L5 PolarHBondContact O-N 2.97Å; L5-T8 PolarHBondContact O-N 2.69Å; L5-A9 WeakPolarHBondContact O-CB 3.4Å; L5-A9 PolarHBondContact O-N 3.23Å
6V96.9Very high95.1Very high65 Ų6557.2 Ų57.239%0.39433%0.33SS..Hα-helixtrans-63.2-49176.8169.60000111.4I2 T3 T8 A9 V10 L117I2-V6 HydrophobicContact CG2-CG2 4.42Å; I2-V6 WeakPolarHBondContact O-CG2 3.1Å; I2-V6 PolarHBondContact O-N 3.22Å; T3-V6 PolarHBondContact O-N 2.74Å; V6-T8 VanDerWaalsContact C-N 3.29Å; V6-T8 PolarHBondContact O-N 3.31Å; V6-A9 PolarHBondContact O-N 3.14Å; V6-V10 WeakPolarHBondContact O-CG2 3.43Å; V6-V10 PolarHBondContact O-N 3.44Å; V6-L117 HydrophobicContact CG1-CD1 4.18Å
7C98Very high95.2Very high0 Ų057.4 Ų57.40%033%0.33CS..Hα-helixtrans-60.2-41.1177.1-62.60000111.7T3 V10 A11 T99 T103T3-C7 PolarHBondContact O-N 2.86Å; T3-C7 VanDerWaalsContact O-N 3.09Å; T3-C7 PolarHBondContact O-SG 3.4Å; C7-V10 PolarHBondContact O-N 2.93Å; C7-A11 WeakPolarHBondContact O-CB 3.47Å; C7-A11 PolarHBondContact O-N 3.14Å; C7-T99 HydrophobicContact CB-CG2 3.66Å; C7-T99 WeakPolarHBondContact O-CG2 3.5Å; C7-T103 WeakPolarHBondContact CB-OG1 3.4Å; C7-T103 PolarHBondContact SG-OG1 3.17Å
8T98.2Very high95.3Very high32 Ų3254.3 Ų54.320%0.19631%0.312CS..Hα-helixtrans-65.3-43178.3-56.80000112E4 L5 V6 V10 A11 V12 G96 A100E4-T8 WeakPolarHBondContact O-CB 3.3Å; E4-T8 PolarHBondContact O-N 3.08Å; E4-T8 PolarHBondContact O-OG1 3.34Å; L5-T8 PolarHBondContact O-N 2.69Å; V6-T8 VanDerWaalsContact C-N 3.29Å; V6-T8 PolarHBondContact O-N 3.31Å; T8-V10 VanDerWaalsContact C-N 3.34Å; T8-V10 PolarHBondContact O-N 3.36Å; T8-A11 PolarHBondContact O-N 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.45Å; T8-V12 PolarHBondContact O-N 3.36Å; T8-G96 PolarHBondContact OG1-O 3.09Å; T8-A100 WeakPolarHBondContact OG1-CB 3.37Å
9A98.4Very high95.5Very high64 Ų6452.6 Ų52.653%0.52930%0.302SS..Hα-helixtrans-64.1-38.517700000112L5 V6 G13L5-A9 WeakPolarHBondContact O-CB 3.4Å; L5-A9 PolarHBondContact O-N 3.23Å; V6-A9 PolarHBondContact O-N 3.14Å; A9-G13 PolarHBondContact O-N 2.9Å
10V98.6Very high95.4Very high50 Ų5057.4 Ų57.430%0.30333%0.326SS..Hα-helixtrans-65.4-47.7173171.80000111V6 C7 T8 V12 G13 L14 L121 A124V6-V10 WeakPolarHBondContact O-CG2 3.43Å; V6-V10 PolarHBondContact O-N 3.44Å; C7-V10 PolarHBondContact O-N 2.93Å; T8-V10 VanDerWaalsContact C-N 3.34Å; T8-V10 PolarHBondContact O-N 3.36Å; V10-V12 VanDerWaalsContact C-N 3.34Å; V10-V12 PolarHBondContact O-N 3.02Å; V10-G13 PolarHBondContact O-N 3.14Å; V10-L14 HydrophobicContact CG1-CD1 3.72Å; V10-L14 HydrophobicContact CG1-CG 4.16Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.43Å; V10-L14 PolarHBondContact O-N 3.37Å; V10-L121 HydrophobicContact CB-CD2 4.08Å; V10-L121 HydrophobicContact CG1-CD2 4.15Å; V10-L121 HydrophobicContact CG2-CD2 3.9Å; V10-A124 HydrophobicContact CG1-CB 4.34Å
11A98.5Very high95.5Very high0 Ų055 Ų550%031%0.314CS..Hα-helixtrans-57.6-43.3177.100000112.5C7 T8 Y15 T99 A124C7-A11 WeakPolarHBondContact O-CB 3.47Å; C7-A11 PolarHBondContact O-N 3.14Å; T8-A11 PolarHBondContact O-N 3.29Å; A11-Y15 WeakPolarHBondContact O-CD2 3.08Å; A11-T99 HydrophobicContact CB-CG2 3.95Å; A11-A124 HydrophobicContact CB-CB 3.88Å
12V98.6Very high96.7Very high46 Ų4650.3 Ų50.328%0.27929%0.292SS..Hα-helixtrans-67.6-48.3174.9171.60000110.8T8 V10 L14 Y15 L16 V92T8-V12 WeakPolarHBondContact O-CG2 3.45Å; T8-V12 PolarHBondContact O-N 3.36Å; V10-V12 VanDerWaalsContact C-N 3.34Å; V10-V12 PolarHBondContact O-N 3.02Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.05Å; V12-Y15 PolarHBondContact O-N 3.21Å; V12-Y15 VanDerWaalsContact O-N 3.13Å; V12-L16 HydrophobicContact CG1-CD2 4.03Å; V12-L16 PolarHBondContact O-N 3.27Å; V12-V92 HydrophobicContact CB-CG1 4.28Å; V12-V92 HydrophobicContact CG1-CG1 4.03Å; V12-V92 HydrophobicContact CG2-CG1 4.27Å
13G98.5Very high97.1Very high39 Ų3943.7 Ų43.740%0.40226%0.258SS..Hα-helixtrans-58.9-38.9-176.500000114.2A9 V10 Y15 L16A9-G13 PolarHBondContact O-N 2.9Å; V10-G13 PolarHBondContact O-N 3.14Å; G13-Y15 PolarHBondContact O-N 3.47Å; G13-L16 PolarHBondContact O-N 2.99Å
14L98.7Very high97.2Very high27 Ų2742.2 Ų42.214%0.14125%0.249CC..Hα-helixtrans-68.7-18.8179.5-70.4174000113.9V10 V12 N17 A124 T485 V486 N489V10-L14 HydrophobicContact CG1-CD1 3.72Å; V10-L14 HydrophobicContact CG1-CG 4.16Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 VanDerWaalsContact O-CG 3.3Å; V10-L14 WeakPolarHBondContact O-CG 3.43Å; V10-L14 PolarHBondContact O-N 3.37Å; V12-L14 VanDerWaalsContact C-N 3.34Å; V12-L14 PolarHBondContact O-N 3.05Å; L14-N17 PolarHBondContact O-OD1 2.72Å; L14-A124 WeakPolarHBondContact CD1-O 3.45Å; L14-T485 HydrophobicContact CB-CG2 4.48Å; L14-V486 HydrophobicContact CB-CG2 4.41Å; L14-V486 HydrophobicContact CD2-CG2 3.69Å; L14-V486 WeakPolarHBondContact O-CG2 3.5Å; L14-N489 PolarHBondContact O-ND2 2.97Å
15Y98.6Very high97.1Very high0 Ų042 Ų420%025%0.247CC..Hα-helixtrans-112.76-179.9-71.9-84.1000114.3A11 V12 G13 N17 T18 H95 H129 T130 V133 T485 N489A11-Y15 WeakPolarHBondContact O-CD2 3.08Å; V12-Y15 PolarHBondContact O-N 3.21Å; V12-Y15 VanDerWaalsContact O-N 3.13Å; G13-Y15 PolarHBondContact O-N 3.47Å; Y15-N17 PolarHBondContact O-N 3.39Å; Y15-N17 VanDerWaalsContact O-N 3.09Å; Y15-T18 HydrophobicContact CD1-CG2 4.12Å; Y15-T18 PolarHBondContact O-N 3.47Å; Y15-T18 PolarHBondContact O-OG1 3.42Å; Y15-H95 AromaticContact CD2-CD2 3.75Å; Y15-H95 AromaticContact CE2-CD2 3.69Å; Y15-H95 AromaticContact CE2-NE2 3.59Å; Y15-H129 WeakPolarHBondContact OH-CB 3.19Å; Y15-T130 HydrophobicContact CE1-CG2 4.41Å; Y15-T130 PolarHBondContact OH-N 3Å; Y15-V133 HydrophobicContact CD1-CB 3.97Å; Y15-V133 HydrophobicContact CD1-CG1 3.59Å; Y15-V133 HydrophobicContact CD2-CG1 3.96Å; Y15-V133 HydrophobicContact CE1-CB 3.66Å; Y15-V133 HydrophobicContact CE1-CG1 3.82Å; Y15-V133 HydrophobicContact CE1-CG2 4.43Å; Y15-V133 HydrophobicContact CE2-CB 4.31Å; Y15-V133 HydrophobicContact CE2-CG1 4.14Å; Y15-V133 HydrophobicContact CE2-CG2 4.37Å; Y15-V133 HydrophobicContact CG-CB 4.44Å; Y15-V133 HydrophobicContact CG-CG1 3.68Å; Y15-T485 HydrophobicContact CD2-CG2 4.47Å; Y15-T485 HydrophobicContact CE1-CG2 3.88Å; Y15-T485 HydrophobicContact CE2-CG2 3.76Å; Y15-T485 VanDerWaalsContact CZ-CG2 3.4Å; Y15-T485 WeakPolarHBondContact OH-CG2 3.26Å; Y15-N489 VanDerWaalsContact CD1-ND2 3.29Å; Y15-N489 WeakPolarHBondContact CD1-ND2 3.46Å; Y15-N489 VanDerWaalsContact CD1-OD1 3.24Å; Y15-N489 WeakPolarHBondContact CD1-OD1 3.05Å; Y15-N489 WeakPolarHBondContact CE1-OD1 3.19Å
16L97.9Very high97Very high92 Ų9238.1 Ų38.148%0.48223%0.227SC..G310 helixtrans-57.8-27.5176-68.6178.2000112.9V12 G13 T18 L19V12-L16 HydrophobicContact CG1-CD2 4.03Å; V12-L16 PolarHBondContact O-N 3.27Å; G13-L16 PolarHBondContact O-N 2.99Å; L16-T18 PolarHBondContact O-N 2.92Å; L16-L19 HydrophobicContact CD2-CD1 3.99Å; L16-L19 WeakPolarHBondContact O-CG 3.37Å; L16-L19 PolarHBondContact O-N 3.1Å
17N96.7Very high96.9Very high61 Ų6135.2 Ų35.233%0.32621%0.209SC..G310 helixtrans-78.24.817874.6-51.2000115L14 Y15 V486 N489L14-N17 PolarHBondContact O-OD1 2.72Å; Y15-N17 PolarHBondContact O-N 3.39Å; Y15-N17 VanDerWaalsContact O-N 3.09Å; N17-V486 PolarHBondContact ND2-O 3.25Å; N17-V486 VanDerWaalsContact ND2-O 3.09Å; N17-N489 WeakPolarHBondContact ND2-CB 3.45Å; N17-N489 PolarHBondContact OD1-ND2 3.45Å
18T97.8Very high96.6Very high1 Ų137.2 Ų37.21%0.00622%0.223CC..G310 helixtrans-99.6-7.5169.468.10000113.1Y15 L16 D20 A21 H88 A134 N489Y15-T18 HydrophobicContact CD1-CG2 4.12Å; Y15-T18 PolarHBondContact O-N 3.47Å; Y15-T18 PolarHBondContact O-OG1 3.42Å; L16-T18 PolarHBondContact O-N 2.92Å; T18-D20 VanDerWaalsContact C-N 3.26Å; T18-D20 PolarHBondContact O-N 2.79Å; T18-A21 VanDerWaalsContact O-CB 3.28Å; T18-A21 WeakPolarHBondContact O-CB 3.48Å; T18-A21 PolarHBondContact O-N 2.74Å; T18-H88 WeakPolarHBondContact O-CB 3.35Å; T18-H88 VanDerWaalsContact O-CG 3.31Å; T18-A134 HydrophobicContact CG2-CB 3.63Å; T18-N489 HydrophobicContact CG2-CB 3.66Å
19L97.6Very high96.2Very high23 Ų2339.9 Ų39.912%0.1223%0.229CC..THydrogen-bonded Turntrans-65.4-30.6-177.6-63.4-179.7000112.8L16 W85 H88 L89 V92L16-L19 HydrophobicContact CD2-CD1 3.99Å; L16-L19 WeakPolarHBondContact O-CG 3.37Å; L16-L19 PolarHBondContact O-N 3.1Å; L19-W85 WeakPolarHBondContact O-CA 3.5Å; L19-H88 HydrophobicContact CD2-CB 4.35Å; L19-L89 HydrophobicContact CD2-CB 3.97Å; L19-L89 HydrophobicContact CD2-CD1 4.26Å; L19-V92 HydrophobicContact CD2-CG2 4.38Å
20D95.1Very high96Very high147 Ų14736.8 Ų36.879%0.78620%0.204SC*.THydrogen-bonded Turntrans-96.314.8179.1-56-41.2000113.1T18T18-D20 VanDerWaalsContact C-N 3.26Å; T18-D20 PolarHBondContact O-N 2.79Å
21A97.2Very high95.9Very high9 Ų934.6 Ų34.67%0.07419%0.19CC..PPolyproline II helixtrans-75.9158.1174.400000112.4T18 P84 W492 S493T18-A21 VanDerWaalsContact O-CB 3.28Å; T18-A21 WeakPolarHBondContact O-CB 3.48Å; T18-A21 PolarHBondContact O-N 2.74Å; A21-P84 WeakPolarHBondContact O-CB 3.38Å; A21-W492 WeakPolarHBondContact CB-O 3.48Å; A21-S493 WeakPolarHBondContact CA-O 3.44Å
22D96.9Very high95.7Very high73 Ų7338.6 Ų38.639%0.3921%0.208SC..PPolyproline II helixtrans-93.8160.9165.5-168.74.9000110.6C24 K32 S493D22-C24 PolarHBondContact O-N 3.17Å; D22-C24 PolarHBondContact O-SG 3.35Å; D22-K32 IonicContact OD1-NZ 3.19Å; D22-K32 PolarHBondContact OD1-NZ 2.86Å; D22-K32 VanDerWaalsContact OD1-NZ 3.16Å; D22-K32 IonicContact OD2-NZ 2.87Å; D22-S493 PolarHBondContact N-O 3.4Å
23F96.4Very high95.3Very high1 Ų140.3 Ų40.30%0.00422%0.218CC..PPolyproline II helixtrans-58.4124.9170.5-62.1-67.9000111D27 I31 K32 L82 P84 Y87 V136F23-D27 HydrophobicContact CB-CB 3.77Å; F23-D27 HydrophobicContact CD1-CB 4.08Å; F23-D27 HydrophobicContact CG-CB 4.4Å; F23-I31 HydrophobicContact CD1-CD1 3.71Å; F23-I31 HydrophobicContact CE1-CB 4.44Å; F23-I31 HydrophobicContact CE1-CD1 3.51Å; F23-I31 HydrophobicContact CE1-CG2 3.99Å; F23-I31 HydrophobicContact CZ-CD1 4.5Å; F23-I31 HydrophobicContact CZ-CG2 3.97Å; F23-K32 HydrophobicContact CB-CD 4.48Å; F23-K32 HydrophobicContact CD2-CD 4.47Å; F23-K32 HydrophobicContact CD2-CG 4.35Å; F23-L82 WeakPolarHBondContact CE2-O 3.49Å; F23-P84 HydrophobicContact CD2-CB 4.23Å; F23-P84 HydrophobicContact CD2-CG 3.68Å; F23-P84 HydrophobicContact CE1-CB 4.43Å; F23-P84 HydrophobicContact CE2-CB 4.15Å; F23-P84 HydrophobicContact CE2-CG 3.69Å; F23-P84 HydrophobicContact CG-CB 4.47Å; F23-P84 HydrophobicContact CG-CG 4.32Å; F23-P84 HydrophobicContact CZ-CB 4.26Å; F23-P84 HydrophobicContact CZ-CG 4.29Å; F23-Y87 HydrophobicContact CE1-CD1 4.23Å; F23-Y87 AromaticContact CE1-CD2 3.85Å; F23-Y87 HydrophobicContact CE1-CD2 3.85Å; F23-Y87 HydrophobicContact CE1-CE2 4.25Å; F23-Y87 AromaticContact CE1-CG 3.85Å; F23-Y87 HydrophobicContact CE1-CG 3.85Å; F23-Y87 AromaticContact CZ-CD2 3.66Å; F23-Y87 HydrophobicContact CZ-CD2 3.66Å; F23-Y87 AromaticContact CZ-CE2 3.75Å; F23-Y87 HydrophobicContact CZ-CE2 3.75Å; F23-Y87 HydrophobicContact CZ-CG 4.14Å; F23-V136 HydrophobicContact CD1-CB 4.46Å; F23-V136 HydrophobicContact CD1-CG2 3.93Å; F23-V136 HydrophobicContact CE1-CG2 4.16Å
24C93.8Very high95.1Very high1 Ų138.6 Ų38.61%0.00720%0.2CC..  trans-118.1142.7-175.7-63.40000113D22 D26 D27 W492 N494 E495 L498D22-C24 PolarHBondContact O-N 3.17Å; D22-C24 PolarHBondContact O-SG 3.35Å; C24-D26 PolarHBondContact O-N 2.76Å; C24-D26 VanDerWaalsContact O-N 3.15Å; C24-D27 PolarHBondContact N-OD2 3.35Å; C24-D27 VanDerWaalsContact N-OD2 3.16Å; C24-D27 VanDerWaalsContact O-CB 3.29Å; C24-D27 WeakPolarHBondContact O-CB 3.25Å; C24-D27 VanDerWaalsContact O-CG 3.29Å; C24-D27 PolarHBondContact O-N 3.26Å; C24-W492 HydrophobicContact CB-CE3 4.42Å; C24-N494 WeakPolarHBondContact SG-CA 3.46Å; C24-E495 HydrophobicContact CB-CG 4.39Å; C24-L498 HydrophobicContact CB-CD2 3.67Å
25Y92.2Very high94.7Very high37 Ų3742.7 Ų42.715%0.14522%0.219CC..THydrogen-bonded Turntrans54.6-116.2166.8-172.9-126.8000113D27 S28 F307 D308 E495 Y499 K509Y25-D27 PolarHBondContact O-N 2.79Å; Y25-D27 VanDerWaalsContact O-N 3.11Å; Y25-S28 WeakPolarHBondContact O-CB 3.37Å; Y25-S28 PolarHBondContact O-N 2.66Å; Y25-S28 VanDerWaalsContact O-N 3.13Å; Y25-F307 AromaticContact CD1-CD2 3.79Å; Y25-F307 HydrophobicContact CD1-CD2 3.79Å; Y25-F307 HydrophobicContact CD1-CE2 4.48Å; Y25-F307 HydrophobicContact CD2-CD2 4.15Å; Y25-F307 HydrophobicContact CD2-CE2 4.1Å; Y25-F307 AromaticContact CE1-CD2 3.62Å; Y25-F307 HydrophobicContact CE1-CD2 3.62Å; Y25-F307 HydrophobicContact CE1-CE2 4.13Å; Y25-F307 AromaticContact CE2-CD2 4Å; Y25-F307 HydrophobicContact CE2-CD2 4Å; Y25-F307 AromaticContact CE2-CE2 3.72Å; Y25-F307 HydrophobicContact CE2-CE2 3.72Å; Y25-F307 HydrophobicContact CG-CD2 4.05Å; Y25-F307 HydrophobicContact CG-CE2 4.46Å; Y25-F307 AromaticContact CZ-CD2 3.72Å; Y25-F307 AromaticContact CZ-CE2 3.72Å; Y25-D308 PolarHBondContact OH-OD1 3.22Å; Y25-E495 PolarHBondContact N-OE1 2.87Å; Y25-Y499 WeakPolarHBondContact CA-OH 3.25Å; Y25-Y499 AromaticContact CD2-CE1 3.71Å; Y25-Y499 HydrophobicContact CD2-CE1 3.71Å; Y25-Y499 HydrophobicContact CE2-CE1 4.42Å; Y25-Y499 HydrophobicContact CG-CE1 4.26Å; Y25-K509 VanDerWaalsContact OH-CE 3.29Å; Y25-K509 WeakPolarHBondContact OH-CE 3.38Å; Y25-K509 PolarHBondContact OH-NZ 2.75Å
26D91.7Very high94.5Very high33 Ų3342.9 Ų42.918%0.17622%0.22CC..Hα-helixtrans-53-29.8178-80.3-16.6000112.7C24 S28 R29 A30 W52 V137 R437C24-D26 PolarHBondContact O-N 2.76Å; C24-D26 VanDerWaalsContact O-N 3.15Å; D26-S28 PolarHBondContact O-N 2.83Å; D26-R29 PolarHBondContact O-N 3.21Å; D26-A30 PolarHBondContact O-N 3.28Å; D26-W52 HydrophobicContact CB-CH2 3.84Å; D26-W52 HydrophobicContact CB-CZ3 3.94Å; D26-V137 HydrophobicContact CB-CB 4.23Å; D26-V137 HydrophobicContact CB-CG1 4.16Å; D26-V137 HydrophobicContact CB-CG2 4.07Å; D26-R437 IonicContact OD2-CZ 2.68Å; D26-R437 IonicContact OD2-NH1 3.68Å; D26-R437 PolarHBondContact OD2-NH1 2.98Å; D26-R437 VanDerWaalsContact OD2-NH1 3.08Å; D26-R437 IonicContact OD2-NH2 3.43Å; D26-R437 PolarHBondContact OD2-NH2 2.96Å
27D95.2Very high94.4Very high3 Ų338.6 Ų38.62%0.01620%0.197CC..Hα-helixtrans-60.6-33.4-179.5-63.3-19.3000112.4F23 C24 Y25 R29 I31 V136 V137F23-D27 HydrophobicContact CB-CB 3.77Å; F23-D27 HydrophobicContact CD1-CB 4.08Å; F23-D27 HydrophobicContact CG-CB 4.4Å; C24-D27 PolarHBondContact N-OD2 3.35Å; C24-D27 VanDerWaalsContact N-OD2 3.16Å; C24-D27 VanDerWaalsContact O-CB 3.29Å; C24-D27 WeakPolarHBondContact O-CB 3.25Å; C24-D27 VanDerWaalsContact O-CG 3.29Å; C24-D27 PolarHBondContact O-N 3.26Å; Y25-D27 PolarHBondContact O-N 2.79Å; Y25-D27 VanDerWaalsContact O-N 3.11Å; D27-R29 PolarHBondContact O-N 2.96Å; D27-I31 HydrophobicContact CB-CD1 4.33Å; D27-I31 VanDerWaalsContact O-CB 3.25Å; D27-I31 WeakPolarHBondContact O-CB 3.36Å; D27-I31 WeakPolarHBondContact O-CG1 3.24Å; D27-I31 PolarHBondContact O-N 2.9Å; D27-V136 WeakPolarHBondContact OD1-CA 3Å; D27-V136 WeakPolarHBondContact OD1-CB 3.4Å; D27-V136 PolarHBondContact OD1-N 3.15Å; D27-V136 PolarHBondContact OD2-N 2.84Å; D27-V136 VanDerWaalsContact OD2-N 3.16Å; D27-V137 WeakPolarHBondContact OD1-CB 3.42Å; D27-V137 WeakPolarHBondContact OD1-CG2 3.36Å; D27-V137 PolarHBondContact OD1-N 2.87Å
28S91.1Very high94.2Very high42 Ų4237 Ų3729%0.29419%0.189SC..Iπ-helixtrans-61.5-46177.7-1700000110.9Y25 D26 K32 T33Y25-S28 WeakPolarHBondContact O-CB 3.37Å; Y25-S28 PolarHBondContact O-N 2.66Å; Y25-S28 VanDerWaalsContact O-N 3.13Å; D26-S28 PolarHBondContact O-N 2.83Å; S28-K32 WeakPolarHBondContact O-CA 3.38Å; S28-K32 WeakPolarHBondContact O-CB 3.5Å; S28-K32 PolarHBondContact O-N 3.02Å; S28-T33 PolarHBondContact O-N 3.25Å; S28-T33 PolarHBondContact O-OG1 3.35Å
29R91.1Very high93.8Very high88 Ų8840.9 Ų40.933%0.33221%0.213SC..Iπ-helixtrans-71.5-43.3178.8-170.7178.5179.3-176-3.2112.3D26 D27 I31 T33 N34 W52 T54D26-R29 PolarHBondContact O-N 3.21Å; D27-R29 PolarHBondContact O-N 2.96Å; R29-I31 VanDerWaalsContact C-N 3.32Å; R29-I31 PolarHBondContact O-N 3.38Å; R29-T33 WeakPolarHBondContact CA-OG1 3.32Å; R29-T33 PolarHBondContact O-OG1 3.15Å; R29-N34 WeakPolarHBondContact O-CB 3.49Å; R29-W52 HydrophobicContact CB-CE3 4.03Å; R29-W52 HydrophobicContact CB-CZ3 4.43Å; R29-W52 HydrophobicContact CG-CB 4.2Å; R29-W52 HydrophobicContact CG-CE3 4.01Å; R29-T54 PolarHBondContact NH2-OG1 2.92Å
30A94.6Very high93.4Very high0 Ų046.5 Ų46.50%024%0.239CC..Iπ-helixtrans-73.6-21.6-17600000114D26 N34 F51 W52 V137D26-A30 PolarHBondContact O-N 3.28Å; A30-N34 WeakPolarHBondContact O-CB 3.49Å; A30-N34 PolarHBondContact O-ND2 3.13Å; A30-F51 HydrophobicContact CB-CE1 4.11Å; A30-F51 HydrophobicContact CB-CZ 4.35Å; A30-W52 HydrophobicContact CB-CE3 3.89Å; A30-W52 HydrophobicContact CB-CZ3 3.89Å; A30-V137 HydrophobicContact CB-CG2 3.36Å
31I95.9Very high93.3Very high3 Ų340.5 Ų40.52%0.01521%0.208CC..Iπ-helixtrans-128.2-57.8-170.6-49.9172.5000112.4F23 D27 R29 T33 L37 L82 Y87 V136F23-I31 HydrophobicContact CD1-CD1 3.71Å; F23-I31 HydrophobicContact CE1-CB 4.44Å; F23-I31 HydrophobicContact CE1-CD1 3.51Å; F23-I31 HydrophobicContact CE1-CG2 3.99Å; F23-I31 HydrophobicContact CZ-CD1 4.5Å; F23-I31 HydrophobicContact CZ-CG2 3.97Å; D27-I31 HydrophobicContact CB-CD1 4.33Å; D27-I31 VanDerWaalsContact O-CB 3.25Å; D27-I31 WeakPolarHBondContact O-CB 3.36Å; D27-I31 WeakPolarHBondContact O-CG1 3.24Å; D27-I31 PolarHBondContact O-N 2.9Å; R29-I31 VanDerWaalsContact C-N 3.32Å; R29-I31 PolarHBondContact O-N 3.38Å; I31-T33 PolarHBondContact O-N 3.34Å; I31-L37 HydrophobicContact CB-CD2 4.23Å; I31-L37 HydrophobicContact CG2-CD2 3.81Å; I31-L82 HydrophobicContact CG2-CD2 4.05Å; I31-Y87 HydrophobicContact CD1-CD1 4Å; I31-Y87 HydrophobicContact CD1-CE1 4.13Å; I31-Y87 HydrophobicContact CG2-CE1 3.86Å; I31-V136 HydrophobicContact CD1-CB 3.81Å; I31-V136 HydrophobicContact CD1-CG1 3.37Å
32K93.4Very high93.1Very high84 Ų8443.6 Ų43.637%0.36523%0.227SC..Iπ-helixtrans-66.8-38.1-174.3-67178.9173166.30112.1D22 F23 S28D22-K32 IonicContact OD1-NZ 3.19Å; D22-K32 PolarHBondContact OD1-NZ 2.86Å; D22-K32 VanDerWaalsContact OD1-NZ 3.16Å; D22-K32 IonicContact OD2-NZ 2.87Å; F23-K32 HydrophobicContact CB-CD 4.48Å; F23-K32 HydrophobicContact CD2-CD 4.47Å; F23-K32 HydrophobicContact CD2-CG 4.35Å; S28-K32 WeakPolarHBondContact O-CA 3.38Å; S28-K32 WeakPolarHBondContact O-CB 3.5Å; S28-K32 PolarHBondContact O-N 3.02Å
33T90.9Very high93Very high82 Ų8247.3 Ų47.350%0.50324%0.236SC..SBendtrans-106-6.4-177.6640000115S28 R29 I31 Q35S28-T33 PolarHBondContact O-N 3.25Å; S28-T33 PolarHBondContact O-OG1 3.35Å; R29-T33 WeakPolarHBondContact CA-OG1 3.32Å; R29-T33 PolarHBondContact O-OG1 3.15Å; I31-T33 PolarHBondContact O-N 3.34Å; T33-Q35 PolarHBondContact O-N 2.9Å; T33-Q35 PolarHBondContact O-NE2 3.34Å; T33-Q35 VanDerWaalsContact O-NE2 3.1Å
34N93.6Very high92.9Very high4 Ų449.9 Ų49.92%0.02125%0.252CS..  trans-79113.3-173.1-174.1-7.7000111.6R29 A30 D36 L37 G53R29-N34 WeakPolarHBondContact O-CB 3.49Å; A30-N34 WeakPolarHBondContact O-CB 3.49Å; A30-N34 PolarHBondContact O-ND2 3.13Å; N34-D36 PolarHBondContact O-N 3.37Å; N34-D36 WeakPolarHBondContact OD1-CB 3.47Å; N34-D36 PolarHBondContact OD1-N 2.97Å; N34-L37 HydrophobicContact CB-CD1 3.82Å; N34-L37 WeakPolarHBondContact ND2-CD1 3.24Å; N34-L37 PolarHBondContact O-N 3.23Å; N34-G53 VanDerWaalsContact OD1-CA 3.29Å; N34-G53 WeakPolarHBondContact OD1-CA 3.27Å
35Q91.8Very high92.9Very high113 Ų11352.2 Ų52.253%0.52826%0.264SS..G310 helixtrans-66.5-22.8-176.8-56.4-58.3-65.100113.2T33 L37 L38 T41T33-Q35 PolarHBondContact O-N 2.9Å; T33-Q35 PolarHBondContact O-NE2 3.34Å; T33-Q35 VanDerWaalsContact O-NE2 3.1Å; Q35-L37 PolarHBondContact O-N 3.42Å; Q35-L38 WeakPolarHBondContact O-CB 3.42Å; Q35-L38 PolarHBondContact O-N 2.95Å; Q35-T41 WeakPolarHBondContact O-CB 3.49Å; Q35-T41 PolarHBondContact O-OG1 3.43Å
36D94.4Very high93Very high4 Ų450.7 Ų50.72%0.02126%0.258CS..G310 helixtrans-65.1-19-179.9-75.9-19.5000114.1N34 N45 V46 T70 R74N34-D36 PolarHBondContact O-N 3.37Å; N34-D36 WeakPolarHBondContact OD1-CB 3.47Å; N34-D36 PolarHBondContact OD1-N 2.97Å; D36-N45 WeakPolarHBondContact OD1-CB 3.46Å; D36-V46 HydrophobicContact CB-CG1 4.06Å; D36-T70 HydrophobicContact CB-CG2 3.96Å; D36-R74 WeakPolarHBondContact O-CD 3.39Å; D36-R74 PolarHBondContact O-NH1 2.86Å
37L94.8Very high93Very high1 Ų151.9 Ų51.91%0.00526%0.264CS..G310 helixtrans-82.7-18.3-179.7-76.461.8000112I31 N34 Q35 T70 F73 Y77I31-L37 HydrophobicContact CB-CD2 4.23Å; I31-L37 HydrophobicContact CG2-CD2 3.81Å; N34-L37 HydrophobicContact CB-CD1 3.82Å; N34-L37 WeakPolarHBondContact ND2-CD1 3.24Å; N34-L37 PolarHBondContact O-N 3.23Å; Q35-L37 PolarHBondContact O-N 3.42Å; L37-T70 HydrophobicContact CD1-CG2 4.29Å; L37-F73 HydrophobicContact CD1-CB 4.38Å; L37-F73 HydrophobicContact CD2-CB 3.91Å; L37-F73 HydrophobicContact CG-CB 4.07Å; L37-Y77 HydrophobicContact CB-CD2 4.33Å; L37-Y77 HydrophobicContact CB-CG 4.31Å; L37-Y77 WeakPolarHBondContact O-CD1 3.48Å
38L92.3Very high92.9Very high29 Ų2957.7 Ų57.715%0.15229%0.287CS..SBendtrans-75139.4-173.1-56.7179.5000111.5Q35 E40 T41 R74 Y77Q35-L38 WeakPolarHBondContact O-CB 3.42Å; Q35-L38 PolarHBondContact O-N 2.95Å; L38-E40 VanDerWaalsContact C-N 3.28Å; L38-E40 HydrophobicContact CB-CG 4.22Å; L38-E40 PolarHBondContact O-N 3.14Å; L38-T41 PolarHBondContact O-N 3.31Å; L38-R74 PolarHBondContact O-NH1 3.11Å; L38-R74 VanDerWaalsContact O-NH1 3.16Å; L38-R74 PolarHBondContact O-NH2 2.95Å; L38-Y77 HydrophobicContact CD2-CE1 4.35Å; L38-Y77 HydrophobicContact CD2-CE2 4.38Å
39P88.9Confident93Very high81 Ų8156.5 Ų56.553%0.52628%0.278SS..THydrogen-bonded Turntrans-54.4-40178.8-2835.3000114.4R74P39-R74 PolarHBondContact O-NH2 3.43Å
40E90.9Very high93.1Very high142 Ų14252.4 Ų52.466%0.66426%0.262SS*.THydrogen-bonded Turntrans-70.1-28.8-177.957.1-88.6-154.600114L38L38-E40 VanDerWaalsContact C-N 3.28Å; L38-E40 HydrophobicContact CB-CG 4.22Å; L38-E40 PolarHBondContact O-N 3.14Å
41T91.6Very high93Very high20 Ų2052.4 Ų52.412%0.12326%0.262CS..SBendtrans-71.8129.4175.3-56.90000109.3Q35 L38 W43 N45 R74Q35-T41 WeakPolarHBondContact O-CB 3.49Å; Q35-T41 PolarHBondContact O-OG1 3.43Å; L38-T41 PolarHBondContact O-N 3.31Å; T41-W43 PolarHBondContact O-N 3.3Å; T41-N45 HydrophobicContact CG2-CB 4.14Å; T41-N45 WeakPolarHBondContact CG2-ND2 3.32Å; T41-R74 VanDerWaalsContact O-CZ 3.22Å; T41-R74 PolarHBondContact O-NH1 2.94Å; T41-R74 PolarHBondContact O-NH2 3.2Å
42P94.6Very high92.9Very high74 Ų7453.6 Ų53.648%0.48127%0.267SS..  trans-55.9129.6177.8-25.734.8000112.1T44 N45P42-T44 PolarHBondContact O-N 2.94Å; P42-N45 VanDerWaalsContact O-CB 3.3Å; P42-N45 WeakPolarHBondContact O-CB 3.28Å; P42-N45 PolarHBondContact O-N 3.32Å; P42-N45 PolarHBondContact O-OD1 2.71Å
43W93.1Very high92.7Very high152 Ų15250.8 Ų50.858%0.57626%0.261SS*.THydrogen-bonded Turntrans-59.6-23.7-176.574-95.5000113.2T41 N45 V46 L47T41-W43 PolarHBondContact O-N 3.3Å; W43-N45 PolarHBondContact O-N 3.5Å; W43-V46 VanDerWaalsContact O-CG2 3.31Å; W43-V46 WeakPolarHBondContact O-CG2 3.41Å; W43-V46 PolarHBondContact O-N 3.09Å; W43-L47 HydrophobicContact CZ3-CD1 4.44Å
44T94.8Very high92.6Very high54 Ų5448.4 Ų48.433%0.33125%0.247SC..THydrogen-bonded Turntrans-65-18.6176.746.60000113.7P42 V46 L47 Y48P42-T44 PolarHBondContact O-N 2.94Å; T44-V46 PolarHBondContact O-N 3.41Å; T44-L47 VanDerWaalsContact O-CB 3.28Å; T44-L47 WeakPolarHBondContact O-CB 3.33Å; T44-L47 PolarHBondContact O-N 2.87Å; T44-Y48 WeakPolarHBondContact O-CD2 3.46Å
45N93.4Very high92.4Very high51 Ų5152 Ų5227%0.27327%0.265SS..Hα-helixtrans-58.4-35.6177.9-77.529.7000112.3D36 T41 P42 W43 L47 Y48 D49D36-N45 WeakPolarHBondContact OD1-CB 3.46Å; T41-N45 HydrophobicContact CG2-CB 4.14Å; T41-N45 WeakPolarHBondContact CG2-ND2 3.32Å; P42-N45 VanDerWaalsContact O-CB 3.3Å; P42-N45 WeakPolarHBondContact O-CB 3.28Å; P42-N45 PolarHBondContact O-N 3.32Å; P42-N45 PolarHBondContact O-OD1 2.71Å; W43-N45 PolarHBondContact O-N 3.5Å; N45-L47 PolarHBondContact O-N 3.06Å; N45-Y48 PolarHBondContact O-N 2.87Å; N45-D49 WeakPolarHBondContact CB-OD2 3.47Å; N45-D49 PolarHBondContact O-N 3.25Å; N45-D49 VanDerWaalsContact O-OD2 3.1Å
46V94.3Very high92.3Very high4 Ų446.8 Ų46.82%0.02424%0.241CC..Hα-helixtrans-58.2-16.4175-480000113.9D36 W43 T44 P67 T70D36-V46 HydrophobicContact CB-CG1 4.06Å; W43-V46 VanDerWaalsContact O-CG2 3.31Å; W43-V46 WeakPolarHBondContact O-CG2 3.41Å; W43-V46 PolarHBondContact O-N 3.09Å; T44-V46 PolarHBondContact O-N 3.41Å; V46-P67 HydrophobicContact CG2-CB 4.37Å; V46-P67 WeakPolarHBondContact O-CB 3.4Å; V46-T70 HydrophobicContact CB-CG2 4.35Å; V46-T70 HydrophobicContact CG1-CG2 3.86Å
47L93.2Very high91.8Very high58 Ų5852 Ų5230%0.30427%0.273SS..Hα-helixtrans-82.3-29.1172.7-57.1178.6000112.1W43 T44 N45 F65 P67 W260W43-L47 HydrophobicContact CZ3-CD1 4.44Å; T44-L47 VanDerWaalsContact O-CB 3.28Å; T44-L47 WeakPolarHBondContact O-CB 3.33Å; T44-L47 PolarHBondContact O-N 2.87Å; N45-L47 PolarHBondContact O-N 3.06Å; L47-F65 VanDerWaalsContact O-CE2 3.26Å; L47-F65 WeakPolarHBondContact O-CE2 3.17Å; L47-P67 HydrophobicContact CD2-CB 4.24Å; L47-W260 HydrophobicContact CB-CZ2 4.22Å; L47-W260 VanDerWaalsContact O-CE2 3.31Å; L47-W260 PolarHBondContact O-NE1 3.35Å
48Y92.1Very high91.2Very high125 Ų12555.7 Ų55.749%0.4929%0.29SS..Hα-helixtrans-103.1-22.9-176.2-61.1-76.6000113.7T44 N45 L56 W260T44-Y48 WeakPolarHBondContact O-CD2 3.46Å; N45-Y48 PolarHBondContact O-N 2.87Å; Y48-L56 VanDerWaalsContact O-CB 3.27Å; Y48-L56 WeakPolarHBondContact O-CB 3.38Å; Y48-L56 WeakPolarHBondContact O-CD1 3.5Å; Y48-L56 WeakPolarHBondContact O-CG 3.44Å; Y48-L56 PolarHBondContact O-N 3.16Å; Y48-W260 HydrophobicContact CD1-CZ2 4.26Å; Y48-W260 HydrophobicContact CE1-CZ2 4Å
49D92.7Very high90.3Very high18 Ų1857.7 Ų57.710%0.09631%0.307CS..BIsolated β-bridgetrans-91156.5179.3-64.6-60.7000112.1N45 L55N45-D49 WeakPolarHBondContact CB-OD2 3.47Å; N45-D49 PolarHBondContact O-N 3.25Å; N45-D49 VanDerWaalsContact O-OD2 3.1Å; D49-L55 WeakPolarHBondContact OD1-CA 3.48Å; D49-L55 WeakPolarHBondContact OD1-CB 3.49Å; D49-L55 PolarHBondContact OD1-N 3.05Å
50D92.8Very high89.5Confident1 Ų155.3 Ų55.31%0.00530%0.297CS..  trans-78174.6170.175.120.4000112W52 G53 T54 L56 S61 H62D50-W52 PolarHBondContact O-N 3.08Å; D50-W52 WeakPolarHBondContact OD1-CA 3.35Å; D50-W52 WeakPolarHBondContact OD1-CB 3.39Å; D50-W52 PolarHBondContact OD1-N 3.39Å; D50-G53 PolarHBondContact O-N 3.08Å; D50-T54 VanDerWaalsContact CG-O 3.22Å; D50-T54 PolarHBondContact N-O 3.39Å; D50-T54 PolarHBondContact OD1-N 2.88Å; D50-L56 HydrophobicContact CB-CD2 3.73Å; D50-L56 HydrophobicContact CB-CG 4.46Å; D50-S61 WeakPolarHBondContact OD2-CA 3.38Å; D50-S61 WeakPolarHBondContact OD2-CB 3.39Å; D50-S61 PolarHBondContact OD2-OG 3.33Å; D50-H62 PolarHBondContact OD2-N 3.15Å
51F94.2Very high89.2Confident0 Ų048.9 Ų48.90%027%0.267CS..THydrogen-bonded Turntrans-53.2-18.2-179.6179.5-109000115A30 S64 R66 C69 F73 V137A30-F51 HydrophobicContact CB-CE1 4.11Å; A30-F51 HydrophobicContact CB-CZ 4.35Å; F51-S64 VanDerWaalsContact CB-O 3.27Å; F51-S64 WeakPolarHBondContact CB-O 3.4Å; F51-S64 WeakPolarHBondContact CB-OG 3.37Å; F51-S64 PolarHBondContact N-O 2.96Å; F51-R66 HydrophobicContact CB-CB 4.33Å; F51-R66 HydrophobicContact CD2-CB 3.94Å; F51-R66 HydrophobicContact CG-CB 4.49Å; F51-C69 HydrophobicContact CD2-CB 4.42Å; F51-C69 HydrophobicContact CE2-CB 4.06Å; F51-F73 HydrophobicContact CE2-CD2 4.41Å; F51-F73 AromaticContact CE2-CE2 3.56Å; F51-F73 HydrophobicContact CE2-CE2 3.56Å; F51-F73 HydrophobicContact CE2-CZ 4.35Å; F51-F73 AromaticContact CZ-CE2 3.67Å; F51-F73 HydrophobicContact CZ-CE2 3.67Å; F51-F73 HydrophobicContact CZ-CZ 4.24Å; F51-V137 HydrophobicContact CE1-CB 4.37Å; F51-V137 HydrophobicContact CE1-CG1 3.65Å; F51-V137 HydrophobicContact CE1-CG2 3.99Å; F51-V137 HydrophobicContact CZ-CB 4.3Å; F51-V137 HydrophobicContact CZ-CG1 3.88Å; F51-V137 HydrophobicContact CZ-CG2 4.04Å
52W92.7Very high88.7Confident29 Ų2952.1 Ų52.111%0.1128%0.281CS..THydrogen-bonded Turntrans-1048.9-178.8-44.5103.4000113.7D26 R29 A30 D50 H62 S64 V137D26-W52 HydrophobicContact CB-CH2 3.84Å; D26-W52 HydrophobicContact CB-CZ3 3.94Å; R29-W52 HydrophobicContact CB-CE3 4.03Å; R29-W52 HydrophobicContact CB-CZ3 4.43Å; R29-W52 HydrophobicContact CG-CB 4.2Å; R29-W52 HydrophobicContact CG-CE3 4.01Å; A30-W52 HydrophobicContact CB-CE3 3.89Å; A30-W52 HydrophobicContact CB-CZ3 3.89Å; D50-W52 PolarHBondContact O-N 3.08Å; D50-W52 WeakPolarHBondContact OD1-CA 3.35Å; D50-W52 WeakPolarHBondContact OD1-CB 3.39Å; D50-W52 PolarHBondContact OD1-N 3.39Å; W52-H62 AromaticContact CD1-CD2 3.69Å; W52-H62 AromaticContact CD1-CG 3.9Å; W52-H62 AromaticContact NE1-CD2 3.83Å; W52-H62 AromaticContact NE1-CG 3.7Å; W52-S64 PolarHBondContact NE1-OG 3.44Å; W52-V137 HydrophobicContact CH2-CG1 4.36Å; W52-V137 HydrophobicContact CZ3-CG2 4.36Å
53G90.8Very high88.4Confident25 Ų2549.6 Ų49.626%0.25826%0.263SS..SBendtrans75.330.6-177.100000113.6N34 D50N34-G53 VanDerWaalsContact OD1-CA 3.29Å; N34-G53 WeakPolarHBondContact OD1-CA 3.27Å; D50-G53 PolarHBondContact O-N 3.08Å
54T88.8Confident88.2Confident31 Ų3143.1 Ų43.119%0.1924%0.24CC..  trans-117.4123.1176.9-52.70000111.1R29 D50 L56 H58R29-T54 PolarHBondContact NH2-OG1 2.92Å; D50-T54 VanDerWaalsContact CG-O 3.22Å; D50-T54 PolarHBondContact N-O 3.39Å; D50-T54 PolarHBondContact OD1-N 2.88Å; T54-L56 PolarHBondContact O-N 3.12Å; T54-H58 HydrophobicContact CG2-CB 4.39Å
55L88.9Confident88.1Confident79 Ų7941.3 Ų41.341%0.41423%0.228SC..BIsolated β-bridgetrans-48.2126.7-175.6-16970.6000113.2D49 T57 H58 S61D49-L55 WeakPolarHBondContact OD1-CA 3.48Å; D49-L55 WeakPolarHBondContact OD1-CB 3.49Å; D49-L55 PolarHBondContact OD1-N 3.05Å; L55-T57 VanDerWaalsContact CD2-OG1 3.24Å; L55-T57 WeakPolarHBondContact CD2-OG1 3.38Å; L55-T57 WeakPolarHBondContact CG-OG1 3.3Å; L55-T57 PolarHBondContact O-N 3.48Å; L55-H58 HydrophobicContact CB-CB 4.37Å; L55-H58 WeakPolarHBondContact O-CB 2.95Å; L55-H58 PolarHBondContact O-N 3.02Å; L55-S61 VanDerWaalsContact O-CB 3.31Å; L55-S61 WeakPolarHBondContact O-CB 3.35Å
56L88.3Confident88.2Confident4 Ų440.1 Ų40.12%0.02122%0.22CC..THydrogen-bonded Turntrans-61.2-22-173.6-73.6167.8000114.1Y48 D50 T54 K63 F65Y48-L56 VanDerWaalsContact O-CB 3.27Å; Y48-L56 WeakPolarHBondContact O-CB 3.38Å; Y48-L56 WeakPolarHBondContact O-CD1 3.5Å; Y48-L56 WeakPolarHBondContact O-CG 3.44Å; Y48-L56 PolarHBondContact O-N 3.16Å; D50-L56 HydrophobicContact CB-CD2 3.73Å; D50-L56 HydrophobicContact CB-CG 4.46Å; T54-L56 PolarHBondContact O-N 3.12Å; L56-K63 WeakPolarHBondContact O-CD 3.48Å; L56-K63 PolarHBondContact O-NZ 3.24Å; L56-F65 HydrophobicContact CD1-CB 4.31Å; L56-F65 HydrophobicContact CD1-CD2 3.67Å; L56-F65 HydrophobicContact CD1-CE2 4.27Å; L56-F65 HydrophobicContact CD1-CG 4.2Å; L56-F65 HydrophobicContact CD2-CB 4.41Å
57T84.7Confident88.3Confident114 Ų11440.4 Ų40.470%0.69922%0.221SC*.THydrogen-bonded Turntrans-80.7-21173.9550000113L55L55-T57 VanDerWaalsContact CD2-OG1 3.24Å; L55-T57 WeakPolarHBondContact CD2-OG1 3.38Å; L55-T57 WeakPolarHBondContact CG-OG1 3.3Å; L55-T57 PolarHBondContact O-N 3.48Å
58H81.4Confident88.6Confident78 Ų7840.2 Ų40.236%0.36122%0.221SC..SBendtrans-64.9144.1-179.3-169.5-109.7000112T54 L55 G60 S61 K63T54-H58 HydrophobicContact CG2-CB 4.39Å; L55-H58 HydrophobicContact CB-CB 4.37Å; L55-H58 WeakPolarHBondContact O-CB 2.95Å; L55-H58 PolarHBondContact O-N 3.02Å; H58-G60 PolarHBondContact ND1-N 3.4Å; H58-G60 PolarHBondContact O-N 3.33Å; H58-S61 WeakPolarHBondContact O-CB 3.27Å; H58-S61 PolarHBondContact O-N 2.96Å; H58-K63 PolarHBondContact O-NZ 3.08Å
59S73.4Confident88.8Confident72 Ų7234.3 Ų34.350%0.50320%0.197SC..THydrogen-bonded Turntrans-63.3-39.2-178.849.90000112.5S61S59-S61 VanDerWaalsContact C-N 3.29Å; S59-S61 PolarHBondContact O-N 3.01Å
60G73.1Confident89Confident30 Ų3033.5 Ų33.531%0.30919%0.193SC..THydrogen-bonded Turntrans-79.95.2176.800000115.9H58H58-G60 PolarHBondContact ND1-N 3.4Å; H58-G60 PolarHBondContact O-N 3.33Å
61S83.4Confident89.3Confident7 Ų736.2 Ų36.25%0.04921%0.207CC..  trans-75.1139.4175168.50000111.5D50 L55 H58 S59 K63D50-S61 WeakPolarHBondContact OD2-CA 3.38Å; D50-S61 WeakPolarHBondContact OD2-CB 3.39Å; D50-S61 PolarHBondContact OD2-OG 3.33Å; L55-S61 VanDerWaalsContact O-CB 3.31Å; L55-S61 WeakPolarHBondContact O-CB 3.35Å; H58-S61 WeakPolarHBondContact O-CB 3.27Å; H58-S61 PolarHBondContact O-N 2.96Å; S59-S61 VanDerWaalsContact C-N 3.29Å; S59-S61 PolarHBondContact O-N 3.01Å; S61-K63 PolarHBondContact O-N 3.3Å; S61-K63 PolarHBondContact OG-N 3.27Å
62H81.7Confident89.4Confident89 Ų8936.9 Ų36.941%0.41221%0.212SC..  trans-73.6-2.1173.9-73.3-95.5000113.3D50 W52 S64D50-H62 PolarHBondContact OD2-N 3.15Å; W52-H62 AromaticContact CD1-CD2 3.69Å; W52-H62 AromaticContact CD1-CG 3.9Å; W52-H62 AromaticContact NE1-CD2 3.83Å; W52-H62 AromaticContact NE1-CG 3.7Å; H62-S64 PolarHBondContact O-N 2.91Å
63K87.8Confident89.7Confident21 Ų2135.5 Ų35.59%0.09121%0.207CC..  trans55.721.2-176.8-44.2-54.8-177.5-173.40114L56 H58 S61 F65 M261 P266L56-K63 WeakPolarHBondContact O-CD 3.48Å; L56-K63 PolarHBondContact O-NZ 3.24Å; H58-K63 PolarHBondContact O-NZ 3.08Å; S61-K63 PolarHBondContact O-N 3.3Å; S61-K63 PolarHBondContact OG-N 3.27Å; K63-F65 VanDerWaalsContact C-N 3.31Å; K63-F65 PolarHBondContact O-N 3.4Å; K63-M261 HydrophobicContact CB-CE 3.72Å; K63-M261 HydrophobicContact CB-CG 4.48Å; K63-M261 WeakPolarHBondContact O-CE 3.26Å; K63-P266 HydrophobicContact CB-CB 4.37Å; K63-P266 HydrophobicContact CG-CB 4.04Å
64S89.9Confident90Very high15 Ų1535.6 Ų35.611%0.10520%0.2CC..  trans-83.868.9-173.551.90000111.3F51 W52 H62 R66F51-S64 VanDerWaalsContact CB-O 3.27Å; F51-S64 WeakPolarHBondContact CB-O 3.4Å; F51-S64 WeakPolarHBondContact CB-OG 3.37Å; F51-S64 PolarHBondContact N-O 2.96Å; W52-S64 PolarHBondContact NE1-OG 3.44Å; H62-S64 PolarHBondContact O-N 2.91Å; S64-R66 PolarHBondContact O-N 2.87Å; S64-R66 VanDerWaalsContact O-N 3.12Å
65F93Very high90.3Very high16 Ų1639 Ų397%0.0722%0.216CC..  trans-68.3109-177.8-173.6-128.7000112.1L47 L56 K63 P67 L198 R257 W260L47-F65 VanDerWaalsContact O-CE2 3.26Å; L47-F65 WeakPolarHBondContact O-CE2 3.17Å; L56-F65 HydrophobicContact CD1-CB 4.31Å; L56-F65 HydrophobicContact CD1-CD2 3.67Å; L56-F65 HydrophobicContact CD1-CE2 4.27Å; L56-F65 HydrophobicContact CD1-CG 4.2Å; L56-F65 HydrophobicContact CD2-CB 4.41Å; K63-F65 VanDerWaalsContact C-N 3.31Å; K63-F65 PolarHBondContact O-N 3.4Å; F65-P67 HydrophobicContact CD2-CG 4.38Å; F65-P67 HydrophobicContact CE1-CG 4.15Å; F65-P67 HydrophobicContact CE2-CB 4.12Å; F65-P67 HydrophobicContact CE2-CG 3.78Å; F65-P67 HydrophobicContact CZ-CB 4.38Å; F65-P67 HydrophobicContact CZ-CG 3.67Å; F65-L198 HydrophobicContact CD1-CD2 4.38Å; F65-L198 HydrophobicContact CE1-CD2 3.83Å; F65-R257 PolarHBondContact O-NH1 3.44Å; F65-R257 PolarHBondContact O-NH2 3.36Å; F65-W260 HydrophobicContact CE1-CG 4.33Å; F65-W260 AromaticContact CE2-CD1 3.96Å; F65-W260 AromaticContact CE2-NE1 3.91Å; F65-W260 AromaticContact CZ-CD1 3.9Å; F65-W260 HydrophobicContact CZ-CG 4.33Å; F65-W260 AromaticContact CZ-NE1 3.93Å
66R95.8Very high90.7Very high27 Ų2735.7 Ų35.710%0.10220%0.199CC..  trans-143.552.4-175.3-61.9-178.2-176157.5-1.1112.9F51 S64 L68 C69 T70 L198 W199 E201F51-R66 HydrophobicContact CB-CB 4.33Å; F51-R66 HydrophobicContact CD2-CB 3.94Å; F51-R66 HydrophobicContact CG-CB 4.49Å; S64-R66 PolarHBondContact O-N 2.87Å; S64-R66 VanDerWaalsContact O-N 3.12Å; R66-L68 VanDerWaalsContact C-N 3.3Å; R66-L68 PolarHBondContact O-N 3.3Å; R66-L68 VanDerWaalsContact O-N 3.17Å; R66-C69 HydrophobicContact CB-CB 4.23Å; R66-C69 WeakPolarHBondContact O-CB 3.45Å; R66-C69 PolarHBondContact O-N 3.34Å; R66-T70 PolarHBondContact O-N 3.15Å; R66-T70 PolarHBondContact O-OG1 3.47Å; R66-L198 CarbonylContact C-O 3.19Å; R66-L198 VanDerWaalsContact CA-O 3.25Å; R66-L198 WeakPolarHBondContact CA-O 3.03Å; R66-W199 WeakPolarHBondContact CD-O 3.4Å; R66-W199 WeakPolarHBondContact CG-O 3.47Å; R66-E201 IonicContact CZ-OE1 3.16Å; R66-E201 IonicContact CZ-OE2 2.69Å; R66-E201 IonicContact NE-OE1 3.74Å; R66-E201 IonicContact NE-OE2 3.75Å; R66-E201 PolarHBondContact NE-OE2 3.31Å; R66-E201 IonicContact NH2-OE1 2.59Å; R66-E201 PolarHBondContact NH2-OE1 2.58Å; R66-E201 IonicContact NH2-OE2 3.22Å; R66-E201 PolarHBondContact NH2-OE2 2.8Å
67P96.5Very high91.1Very high9 Ų938.2 Ų38.26%0.05821%0.208CC..Hα-helixtrans-60.3-33.2-166.125.4-36.5000114V46 L47 F65 C69 L71 L198V46-P67 HydrophobicContact CG2-CB 4.37Å; V46-P67 WeakPolarHBondContact O-CB 3.4Å; L47-P67 HydrophobicContact CD2-CB 4.24Å; F65-P67 HydrophobicContact CD2-CG 4.38Å; F65-P67 HydrophobicContact CE1-CG 4.15Å; F65-P67 HydrophobicContact CE2-CB 4.12Å; F65-P67 HydrophobicContact CE2-CG 3.78Å; F65-P67 HydrophobicContact CZ-CB 4.38Å; F65-P67 HydrophobicContact CZ-CG 3.67Å; P67-C69 VanDerWaalsContact C-N 3.33Å; P67-L71 VanDerWaalsContact O-CB 3.25Å; P67-L71 WeakPolarHBondContact O-CB 3.43Å; P67-L71 PolarHBondContact O-N 2.72Å; P67-L198 WeakPolarHBondContact CD-O 3.39Å; P67-L198 HydrophobicContact CG-CB 4.2Å; P67-L198 HydrophobicContact CG-CD2 3.84Å; P67-L198 HydrophobicContact CG-CG 4.46Å
68L97.7Very high91.6Very high55 Ų5536.7 Ų36.729%0.28820%0.199SC..Hα-helixtrans-71.2-30178.3-66.7-176.3000112.3R66 S72 A195 L198 W199R66-L68 VanDerWaalsContact C-N 3.3Å; R66-L68 PolarHBondContact O-N 3.3Å; R66-L68 VanDerWaalsContact O-N 3.17Å; L68-S72 PolarHBondContact O-N 3.19Å; L68-S72 VanDerWaalsContact O-N 3.12Å; L68-A195 HydrophobicContact CD1-CB 3.98Å; L68-L198 HydrophobicContact CB-CB 4.4Å; L68-L198 HydrophobicContact CD1-CB 3.77Å; L68-L198 HydrophobicContact CD1-CD1 4.31Å; L68-L198 HydrophobicContact CG-CB 3.8Å; L68-L198 HydrophobicContact CG-CD1 4.41Å; L68-L198 PolarHBondContact N-O 2.9Å; L68-W199 HydrophobicContact CB-CD2 4.4Å; L68-W199 HydrophobicContact CB-CG 4.23Å
69C97.8Very high92.3Very high0 Ų039.4 Ų39.40%022%0.216CC..Hα-helixtrans-71.3-49174.7-163.70000110.5F51 R66 P67 L71 S72 F73 W199F51-C69 HydrophobicContact CD2-CB 4.42Å; F51-C69 HydrophobicContact CE2-CB 4.06Å; R66-C69 HydrophobicContact CB-CB 4.23Å; R66-C69 WeakPolarHBondContact O-CB 3.45Å; R66-C69 PolarHBondContact O-N 3.34Å; P67-C69 VanDerWaalsContact C-N 3.33Å; C69-L71 PolarHBondContact O-N 3.18Å; C69-S72 WeakPolarHBondContact O-CA 3.46Å; C69-S72 VanDerWaalsContact O-CB 3.31Å; C69-S72 WeakPolarHBondContact O-CB 3.3Å; C69-S72 PolarHBondContact O-N 2.81Å; C69-S72 PolarHBondContact O-OG 3.45Å; C69-F73 PolarHBondContact O-N 3.38Å; C69-F73 VanDerWaalsContact O-N 3.1Å; C69-W199 HydrophobicContact CB-CD2 4.42Å; C69-W199 HydrophobicContact CB-CE3 3.64Å; C69-W199 HydrophobicContact CB-CZ3 3.9Å; C69-W199 VanDerWaalsContact SG-CZ3 3.59Å
70T97.4Very high93.3Very high2 Ų239.7 Ų39.71%0.01221%0.209CC..Hα-helixtrans-59.3-43.9176.9-47.70000111.6D36 L37 V46 R66 S72 F73 R74D36-T70 HydrophobicContact CB-CG2 3.96Å; L37-T70 HydrophobicContact CD1-CG2 4.29Å; V46-T70 HydrophobicContact CB-CG2 4.35Å; V46-T70 HydrophobicContact CG1-CG2 3.86Å; R66-T70 PolarHBondContact O-N 3.15Å; R66-T70 PolarHBondContact O-OG1 3.47Å; T70-S72 VanDerWaalsContact C-N 3.27Å; T70-S72 PolarHBondContact O-N 3.43Å; T70-F73 WeakPolarHBondContact O-CB 3.39Å; T70-F73 PolarHBondContact O-N 3.4Å; T70-R74 PolarHBondContact O-N 3.36Å
71L97.1Very high94.4Very high57 Ų5739.4 Ų39.430%0.29821%0.206SC..Hα-helixtrans-60.6-35.9173.9-176.162.7000112.1P67 C69 F73 R74 L75P67-L71 VanDerWaalsContact O-CB 3.25Å; P67-L71 WeakPolarHBondContact O-CB 3.43Å; P67-L71 PolarHBondContact O-N 2.72Å; C69-L71 PolarHBondContact O-N 3.18Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 2.98Å; L71-R74 PolarHBondContact O-N 3.03Å; L71-L75 HydrophobicContact CG-CD1 4.38Å; L71-L75 WeakPolarHBondContact O-CG 3.28Å; L71-L75 PolarHBondContact O-N 3.23Å
72S97.8Very high95Very high15 Ų1543 Ų4311%0.10523%0.225CC..Hα-helixtrans-65-34.3173.7900000112.7L68 C69 T70 N76 R139 W199L68-S72 PolarHBondContact O-N 3.19Å; L68-S72 VanDerWaalsContact O-N 3.12Å; C69-S72 WeakPolarHBondContact O-CA 3.46Å; C69-S72 VanDerWaalsContact O-CB 3.31Å; C69-S72 WeakPolarHBondContact O-CB 3.3Å; C69-S72 PolarHBondContact O-N 2.81Å; C69-S72 PolarHBondContact O-OG 3.45Å; T70-S72 VanDerWaalsContact C-N 3.27Å; T70-S72 PolarHBondContact O-N 3.43Å; S72-N76 WeakPolarHBondContact O-CB 3.45Å; S72-N76 PolarHBondContact O-N 2.84Å; S72-N76 VanDerWaalsContact O-N 3.07Å; S72-R139 PolarHBondContact O-NH1 2.87Å; S72-R139 WeakPolarHBondContact OG-CD 3.24Å; S72-R139 PolarHBondContact OG-NH1 3.18Å; S72-W199 WeakPolarHBondContact OG-CH2 3.43Å
73F97.9Very high95.7Very high0 Ų047.6 Ų47.60%024%0.238CC..Hα-helixtrans-72.1-39.6173.8-63.1-40.7000111.8L37 F51 C69 T70 L71 N76 Y77 Y87 V136 R139L37-F73 HydrophobicContact CD1-CB 4.38Å; L37-F73 HydrophobicContact CD2-CB 3.91Å; L37-F73 HydrophobicContact CG-CB 4.07Å; F51-F73 HydrophobicContact CE2-CD2 4.41Å; F51-F73 AromaticContact CE2-CE2 3.56Å; F51-F73 HydrophobicContact CE2-CE2 3.56Å; F51-F73 HydrophobicContact CE2-CZ 4.35Å; F51-F73 AromaticContact CZ-CE2 3.67Å; F51-F73 HydrophobicContact CZ-CE2 3.67Å; F51-F73 HydrophobicContact CZ-CZ 4.24Å; C69-F73 PolarHBondContact O-N 3.38Å; C69-F73 VanDerWaalsContact O-N 3.1Å; T70-F73 WeakPolarHBondContact O-CB 3.39Å; T70-F73 PolarHBondContact O-N 3.4Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 2.98Å; F73-N76 VanDerWaalsContact O-CB 3.32Å; F73-N76 WeakPolarHBondContact O-CB 3.24Å; F73-N76 PolarHBondContact O-N 2.86Å; F73-N76 VanDerWaalsContact O-N 3.12Å; F73-Y77 WeakPolarHBondContact O-CB 3.49Å; F73-Y77 PolarHBondContact O-N 3.34Å; F73-Y87 HydrophobicContact CB-CE1 4.35Å; F73-Y87 HydrophobicContact CD1-CD1 4Å; F73-Y87 HydrophobicContact CD1-CE1 4.09Å; F73-V136 HydrophobicContact CD1-CG1 4.43Å; F73-V136 HydrophobicContact CE1-CG1 3.76Å; F73-V136 HydrophobicContact CZ-CG1 4.41Å; F73-R139 VanDerWaalsContact CD1-NH1 3.31Å; F73-R139 HydrophobicContact CE1-CB 4.07Å; F73-R139 HydrophobicContact CZ-CB 4.19Å
74R97Very high96.1Very high27 Ų2747.9 Ų47.910%0.10224%0.242CC..Hα-helixtrans-59.8-46.8174.1-173178.2-179.1120.5-0.6111.6D36 L38 P39 T41 T70 L71 N76 Y77 T78D36-R74 WeakPolarHBondContact O-CD 3.39Å; D36-R74 PolarHBondContact O-NH1 2.86Å; L38-R74 PolarHBondContact O-NH1 3.11Å; L38-R74 VanDerWaalsContact O-NH1 3.16Å; L38-R74 PolarHBondContact O-NH2 2.95Å; P39-R74 PolarHBondContact O-NH2 3.43Å; T41-R74 VanDerWaalsContact O-CZ 3.22Å; T41-R74 PolarHBondContact O-NH1 2.94Å; T41-R74 PolarHBondContact O-NH2 3.2Å; T70-R74 PolarHBondContact O-N 3.36Å; L71-R74 PolarHBondContact O-N 3.03Å; R74-N76 VanDerWaalsContact C-N 3.26Å; R74-N76 PolarHBondContact O-N 3.39Å; R74-Y77 WeakPolarHBondContact O-CB 3.2Å; R74-Y77 PolarHBondContact O-N 2.89Å; R74-T78 PolarHBondContact O-N 3.32Å; R74-T78 PolarHBondContact O-OG1 2.81Å
75L96.3Very high96.5Very high103 Ų10352.8 Ų52.854%0.53926%0.258SS..Hα-helixtrans-63.6-30.4174-69.9172000112.9L71 T78 L79L71-L75 HydrophobicContact CG-CD1 4.38Å; L71-L75 WeakPolarHBondContact O-CG 3.28Å; L71-L75 PolarHBondContact O-N 3.23Å; L75-T78 PolarHBondContact O-OG1 3.42Å; L75-T78 VanDerWaalsContact O-OG1 3.08Å; L75-L79 WeakPolarHBondContact O-CG 3.33Å
76N97Very high96.7Very high8 Ų852.2 Ų52.24%0.04326%0.257CS..Hα-helixtrans-71.5-39.7174.3-148.5132.9000111.5S72 F73 R74 L79 H80 G86 Y87 R139S72-N76 WeakPolarHBondContact O-CB 3.45Å; S72-N76 PolarHBondContact O-N 2.84Å; S72-N76 VanDerWaalsContact O-N 3.07Å; F73-N76 VanDerWaalsContact O-CB 3.32Å; F73-N76 WeakPolarHBondContact O-CB 3.24Å; F73-N76 PolarHBondContact O-N 2.86Å; F73-N76 VanDerWaalsContact O-N 3.12Å; R74-N76 VanDerWaalsContact C-N 3.26Å; R74-N76 PolarHBondContact O-N 3.39Å; N76-L79 PolarHBondContact O-N 3.3Å; N76-H80 PolarHBondContact O-N 3.46Å; N76-G86 PolarHBondContact OD1-O 2.87Å; N76-Y87 HydrophobicContact CB-CD1 3.97Å; N76-Y87 HydrophobicContact CB-CE1 3.63Å; N76-Y87 HydrophobicContact CB-CE2 4.34Å; N76-Y87 HydrophobicContact CB-CG 4.48Å; N76-Y87 WeakPolarHBondContact ND2-CD2 3.43Å; N76-R139 PolarHBondContact OD1-NH1 3.3Å; N76-R139 PolarHBondContact OD1-NH2 3.13Å
77Y97Very high96.8Very high57 Ų5751 Ų5122%0.22425%0.252CS..Hα-helixtrans-65.3-43.6177.9-173.3-82.9000111L37 L38 F73 R74 L79 H80 G81 L82 Y87L37-Y77 HydrophobicContact CB-CD2 4.33Å; L37-Y77 HydrophobicContact CB-CG 4.31Å; L37-Y77 WeakPolarHBondContact O-CD1 3.48Å; L38-Y77 HydrophobicContact CD2-CE1 4.35Å; L38-Y77 HydrophobicContact CD2-CE2 4.38Å; F73-Y77 WeakPolarHBondContact O-CB 3.49Å; F73-Y77 PolarHBondContact O-N 3.34Å; R74-Y77 WeakPolarHBondContact O-CB 3.2Å; R74-Y77 PolarHBondContact O-N 2.89Å; Y77-L79 PolarHBondContact O-N 3.09Å; Y77-L79 VanDerWaalsContact O-N 3.16Å; Y77-H80 PolarHBondContact O-N 3.15Å; Y77-G81 VanDerWaalsContact O-CA 3.26Å; Y77-G81 WeakPolarHBondContact O-CA 3.48Å; Y77-G81 PolarHBondContact O-N 3.21Å; Y77-L82 HydrophobicContact CD2-CD2 3.96Å; Y77-L82 HydrophobicContact CD2-CG 4.39Å; Y77-L82 HydrophobicContact CE2-CD2 3.69Å; Y77-L82 HydrophobicContact CE2-CG 3.79Å; Y77-Y87 WeakPolarHBondContact CA-OH 3.41Å; Y77-Y87 WeakPolarHBondContact CB-OH 3.48Å; Y77-Y87 PolarHBondContact N-OH 3.36Å
78T95.6Very high96.9Very high83 Ų8350.6 Ų50.651%0.50925%0.25SC..Hα-helixtrans-64.6-19.6177570000113.7R74 L75R74-T78 PolarHBondContact O-N 3.32Å; R74-T78 PolarHBondContact O-OG1 2.81Å; L75-T78 PolarHBondContact O-OG1 3.42Å; L75-T78 VanDerWaalsContact O-OG1 3.08Å
79L95.1Very high97Very high135 Ų13550.8 Ų50.871%0.70725%0.251SS*.Hα-helixtrans-97.9-34.6178.6-67.2174000113.9L75 N76 Y77L75-L79 WeakPolarHBondContact O-CG 3.33Å; N76-L79 PolarHBondContact O-N 3.3Å; Y77-L79 PolarHBondContact O-N 3.09Å; Y77-L79 VanDerWaalsContact O-N 3.16Å
80H94.4Very high97Very high77 Ų7753.8 Ų53.836%0.35627%0.267SS..Hα-helixtrans-129.8-0.8-170.2-67.493000114.6N76 Y77 R83N76-H80 PolarHBondContact O-N 3.46Å; Y77-H80 PolarHBondContact O-N 3.15Å; H80-R83 WeakPolarHBondContact O-CB 3.29Å; H80-R83 WeakPolarHBondContact O-CG 3.42Å; H80-R83 PolarHBondContact O-N 2.86Å
81G95.7Very high97Very high25 Ų2553.7 Ų53.726%0.25827%0.266SS..THydrogen-bonded Turntrans55.4-141.1-170.900000111.3Y77 R83 Y87Y77-G81 VanDerWaalsContact O-CA 3.26Å; Y77-G81 WeakPolarHBondContact O-CA 3.48Å; Y77-G81 PolarHBondContact O-N 3.21Å; G81-R83 VanDerWaalsContact C-N 3.27Å; G81-R83 PolarHBondContact O-N 3.38Å; G81-Y87 WeakPolarHBondContact O-CE2 3.35Å; G81-Y87 PolarHBondContact O-OH 2.95Å
82L96.1Very high97.1Very high83 Ų8351 Ų5144%0.43525%0.252SS..THydrogen-bonded Turntrans-87.135.2174.6-63.9175.8000113.5F23 I31 Y77 P84F23-L82 WeakPolarHBondContact CE2-O 3.49Å; I31-L82 HydrophobicContact CG2-CD2 4.05Å; Y77-L82 HydrophobicContact CD2-CD2 3.96Å; Y77-L82 HydrophobicContact CD2-CG 4.39Å; Y77-L82 HydrophobicContact CE2-CD2 3.69Å; Y77-L82 HydrophobicContact CE2-CG 3.79Å; L82-P84 WeakPolarHBondContact O-CD 3.41Å
83R96.7Very high97.2Very high185 Ų18553.5 Ų53.570%0.69827%0.266SS*.  trans-87.2112.4172.5-68.2-179.5176.7177.10.4110.4H80 G81 W85 G86 Y87H80-R83 WeakPolarHBondContact O-CB 3.29Å; H80-R83 WeakPolarHBondContact O-CG 3.42Å; H80-R83 PolarHBondContact O-N 2.86Å; G81-R83 VanDerWaalsContact C-N 3.27Å; G81-R83 PolarHBondContact O-N 3.38Å; R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 3.03Å; R83-G86 PolarHBondContact O-N 2.85Å; R83-Y87 WeakPolarHBondContact O-CD2 3.33Å
84P97.3Very high97.2Very high27 Ų2754.3 Ų54.318%0.17527%0.271CS..Hα-helixtrans-57.1-38.9-173.9-23.330.8000114.1A21 F23 L82 G86 Y87 H88A21-P84 WeakPolarHBondContact O-CB 3.38Å; F23-P84 HydrophobicContact CD2-CB 4.23Å; F23-P84 HydrophobicContact CD2-CG 3.68Å; F23-P84 HydrophobicContact CE1-CB 4.43Å; F23-P84 HydrophobicContact CE2-CB 4.15Å; F23-P84 HydrophobicContact CE2-CG 3.69Å; F23-P84 HydrophobicContact CG-CB 4.47Å; F23-P84 HydrophobicContact CG-CG 4.32Å; F23-P84 HydrophobicContact CZ-CB 4.26Å; F23-P84 HydrophobicContact CZ-CG 4.29Å; L82-P84 WeakPolarHBondContact O-CD 3.41Å; P84-G86 VanDerWaalsContact C-N 3.29Å; P84-G86 PolarHBondContact O-N 3.45Å; P84-G86 VanDerWaalsContact O-N 3.13Å; P84-Y87 WeakPolarHBondContact O-CA 3.37Å; P84-Y87 VanDerWaalsContact O-CB 3.32Å; P84-Y87 WeakPolarHBondContact O-CB 3.49Å; P84-Y87 PolarHBondContact O-N 3.29Å; P84-H88 PolarHBondContact O-CD2 3.33Å; P84-H88 VanDerWaalsContact O-CD2 3.24Å; P84-H88 PolarHBondContact O-N 3.19Å; P84-H88 VanDerWaalsContact O-N 3.1Å
85W97.8Very high97.3Very high117 Ų11753 Ų5344%0.44327%0.266SS..Hα-helixtrans-46.6-46.7-176.5-17795.8000114.1L19 R83 Y87 H88 L89L19-W85 WeakPolarHBondContact O-CA 3.5Å; R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 3.03Å; W85-Y87 PolarHBondContact O-N 3.1Å; W85-H88 PolarHBondContact O-N 3Å; W85-L89 HydrophobicContact CE3-CD2 4.46Å; W85-L89 HydrophobicContact CH2-CD2 3.53Å; W85-L89 HydrophobicContact CZ2-CD2 4.25Å; W85-L89 HydrophobicContact CZ3-CD2 3.65Å; W85-L89 WeakPolarHBondContact O-CB 3.49Å; W85-L89 PolarHBondContact O-N 2.8Å
86G97.6Very high97.4Very high5 Ų548.2 Ų48.25%0.05224%0.241CC..Hα-helixtrans-67-26.3-179.400000112.9N76 R83 P84 L90N76-G86 PolarHBondContact OD1-O 2.87Å; R83-G86 PolarHBondContact O-N 2.85Å; P84-G86 VanDerWaalsContact C-N 3.29Å; P84-G86 PolarHBondContact O-N 3.45Å; P84-G86 VanDerWaalsContact O-N 3.13Å; G86-L90 PolarHBondContact O-N 3.16Å
87Y98.3Very high97.5Very high0 Ų051.9 Ų51.90%026%0.26CS..Hα-helixtrans-78.8-45.3177.2-68.6-105.3000112.4F23 I31 F73 N76 Y77 G81 R83 P84 W85 L90 N91 V136 R139F23-Y87 HydrophobicContact CE1-CD1 4.23Å; F23-Y87 AromaticContact CE1-CD2 3.85Å; F23-Y87 HydrophobicContact CE1-CD2 3.85Å; F23-Y87 HydrophobicContact CE1-CE2 4.25Å; F23-Y87 AromaticContact CE1-CG 3.85Å; F23-Y87 HydrophobicContact CE1-CG 3.85Å; F23-Y87 AromaticContact CZ-CD2 3.66Å; F23-Y87 HydrophobicContact CZ-CD2 3.66Å; F23-Y87 AromaticContact CZ-CE2 3.75Å; F23-Y87 HydrophobicContact CZ-CE2 3.75Å; F23-Y87 HydrophobicContact CZ-CG 4.14Å; I31-Y87 HydrophobicContact CD1-CD1 4Å; I31-Y87 HydrophobicContact CD1-CE1 4.13Å; I31-Y87 HydrophobicContact CG2-CE1 3.86Å; F73-Y87 HydrophobicContact CB-CE1 4.35Å; F73-Y87 HydrophobicContact CD1-CD1 4Å; F73-Y87 HydrophobicContact CD1-CE1 4.09Å; N76-Y87 HydrophobicContact CB-CD1 3.97Å; N76-Y87 HydrophobicContact CB-CE1 3.63Å; N76-Y87 HydrophobicContact CB-CE2 4.34Å; N76-Y87 HydrophobicContact CB-CG 4.48Å; N76-Y87 WeakPolarHBondContact ND2-CD2 3.43Å; Y77-Y87 WeakPolarHBondContact CA-OH 3.41Å; Y77-Y87 WeakPolarHBondContact CB-OH 3.48Å; Y77-Y87 PolarHBondContact N-OH 3.36Å; G81-Y87 WeakPolarHBondContact O-CE2 3.35Å; G81-Y87 PolarHBondContact O-OH 2.95Å; R83-Y87 WeakPolarHBondContact O-CD2 3.33Å; P84-Y87 WeakPolarHBondContact O-CA 3.37Å; P84-Y87 VanDerWaalsContact O-CB 3.32Å; P84-Y87 WeakPolarHBondContact O-CB 3.49Å; P84-Y87 PolarHBondContact O-N 3.29Å; W85-Y87 PolarHBondContact O-N 3.1Å; Y87-L90 PolarHBondContact O-N 2.91Å; Y87-N91 PolarHBondContact O-N 3.43Å; Y87-N91 PolarHBondContact O-OD1 3.36Å; Y87-V136 HydrophobicContact CD1-CG1 3.77Å; Y87-V136 HydrophobicContact CG-CG1 4.09Å; Y87-R139 VanDerWaalsContact CA-NH2 3.28Å; Y87-R139 PolarHBondContact O-NH2 3.36Å
88H98.4Very high97.6Very high1 Ų149.1 Ų49.11%0.00525%0.25CC..Hα-helixtrans-63.4-42.6174.6-63.1-71.1000110.9T18 L19 P84 W85 L90 N91 V92 A134 V136T18-H88 WeakPolarHBondContact O-CB 3.35Å; T18-H88 VanDerWaalsContact O-CG 3.31Å; L19-H88 HydrophobicContact CD2-CB 4.35Å; P84-H88 PolarHBondContact O-CD2 3.33Å; P84-H88 VanDerWaalsContact O-CD2 3.24Å; P84-H88 PolarHBondContact O-N 3.19Å; P84-H88 VanDerWaalsContact O-N 3.1Å; W85-H88 PolarHBondContact O-N 3Å; H88-L90 VanDerWaalsContact C-N 3.31Å; H88-L90 PolarHBondContact O-N 3.45Å; H88-N91 PolarHBondContact O-N 2.94Å; H88-N91 VanDerWaalsContact O-N 3.08Å; H88-V92 WeakPolarHBondContact O-CG2 3.43Å; H88-V92 PolarHBondContact O-N 2.93Å; H88-A134 PolarHBondContact CE1-O 3.22Å; H88-A134 PolarHBondContact ND1-O 3.49Å; H88-V136 WeakPolarHBondContact CE1-CG2 3.37Å
89L98.3Very high97.7Very high60 Ų6045.2 Ų45.231%0.31423%0.225SC..Hα-helixtrans-54.1-46.5175.7177.664.1000112L19 W85 N91 V92 V93L19-L89 HydrophobicContact CD2-CB 3.97Å; L19-L89 HydrophobicContact CD2-CD1 4.26Å; W85-L89 HydrophobicContact CE3-CD2 4.46Å; W85-L89 HydrophobicContact CH2-CD2 3.53Å; W85-L89 HydrophobicContact CZ2-CD2 4.25Å; W85-L89 HydrophobicContact CZ3-CD2 3.65Å; W85-L89 WeakPolarHBondContact O-CB 3.49Å; W85-L89 PolarHBondContact O-N 2.8Å; L89-N91 VanDerWaalsContact C-N 3.33Å; L89-N91 PolarHBondContact O-N 3.31Å; L89-V92 PolarHBondContact O-N 2.94Å; L89-V93 HydrophobicContact CD1-CG2 4.11Å; L89-V93 HydrophobicContact CG-CG2 4.39Å; L89-V93 WeakPolarHBondContact O-CG2 3.3Å; L89-V93 PolarHBondContact O-N 3.21Å
90L98.1Very high97.9Very high62 Ų6239.9 Ų39.933%0.32520%0.201SC..Hα-helixtrans-65.2-37.2179.8-176.454.5000111.7G86 Y87 H88 V93 L94G86-L90 PolarHBondContact O-N 3.16Å; Y87-L90 PolarHBondContact O-N 2.91Å; H88-L90 VanDerWaalsContact C-N 3.31Å; H88-L90 PolarHBondContact O-N 3.45Å; L90-V93 PolarHBondContact O-N 3.09Å; L90-L94 HydrophobicContact CD1-CD1 4.24Å; L90-L94 HydrophobicContact CD1-CG 4.14Å; L90-L94 HydrophobicContact CG-CD1 4.05Å; L90-L94 HydrophobicContact CG-CG 4.44Å; L90-L94 WeakPolarHBondContact O-CB 3.26Å; L90-L94 WeakPolarHBondContact O-CD1 3.28Å; L90-L94 WeakPolarHBondContact O-CG 3.39Å; L90-L94 PolarHBondContact O-N 3.01Å
91N98.4Very high98.1Very high0 Ų037.8 Ų37.80%019%0.192CC..Hα-helixtrans-63.8-43.6174.2-71.619.4000111.7Y87 H88 L89 L94 H95 V133 G135 V136 R139Y87-N91 PolarHBondContact O-N 3.43Å; Y87-N91 PolarHBondContact O-OD1 3.36Å; H88-N91 PolarHBondContact O-N 2.94Å; H88-N91 VanDerWaalsContact O-N 3.08Å; L89-N91 VanDerWaalsContact C-N 3.33Å; L89-N91 PolarHBondContact O-N 3.31Å; N91-L94 PolarHBondContact O-N 3.41Å; N91-H95 WeakPolarHBondContact O-CB 3.25Å; N91-H95 PolarHBondContact O-N 3.05Å; N91-V133 VanDerWaalsContact CB-O 3.28Å; N91-V133 WeakPolarHBondContact CB-O 3.47Å; N91-V133 PolarHBondContact ND2-O 3.46Å; N91-G135 PolarHBondContact ND2-O 3.49Å; N91-V136 WeakPolarHBondContact ND2-CA 3.18Å; N91-V136 PolarHBondContact ND2-O 3.45Å; N91-V136 VanDerWaalsContact ND2-O 3.14Å; N91-R139 WeakPolarHBondContact OD1-CB 3.23Å; N91-R139 VanDerWaalsContact OD1-CG 3.27Å; N91-R139 WeakPolarHBondContact OD1-CG 3.36Å; N91-R139 PolarHBondContact OD1-NE 3.2Å
92V98.8Very high98.2Very high2 Ų236.6 Ų36.61%0.01218%0.18CC..Hα-helixtrans-63.9-43.3177.3175.80000111.6V12 L19 H88 L89 H95 G96 V133V12-V92 HydrophobicContact CB-CG1 4.28Å; V12-V92 HydrophobicContact CG1-CG1 4.03Å; V12-V92 HydrophobicContact CG2-CG1 4.27Å; L19-V92 HydrophobicContact CD2-CG2 4.38Å; H88-V92 WeakPolarHBondContact O-CG2 3.43Å; H88-V92 PolarHBondContact O-N 2.93Å; L89-V92 PolarHBondContact O-N 2.94Å; V92-H95 PolarHBondContact O-N 3.45Å; V92-G96 PolarHBondContact O-N 3.45Å; V92-V133 HydrophobicContact CG2-CG1 4.31Å
93V98.6Very high98.3Very high66 Ų6632.7 Ų32.740%0.416%0.159SC..Hα-helixtrans-62.6-44.8174.91700000111.1L89 L90 H95 G96 L97L89-V93 HydrophobicContact CD1-CG2 4.11Å; L89-V93 HydrophobicContact CG-CG2 4.39Å; L89-V93 WeakPolarHBondContact O-CG2 3.3Å; L89-V93 PolarHBondContact O-N 3.21Å; L90-V93 PolarHBondContact O-N 3.09Å; V93-H95 VanDerWaalsContact C-N 3.35Å; V93-H95 PolarHBondContact O-N 3.31Å; V93-G96 PolarHBondContact O-N 3.42Å; V93-L97 HydrophobicContact CG1-CD1 4.23Å; V93-L97 WeakPolarHBondContact O-CG 3.4Å; V93-L97 PolarHBondContact O-N 3.41Å
94L98.7Very high98.2Very high17 Ų1725.5 Ų25.59%0.08914%0.14CC..Hα-helixtrans-62.5-40.2176.2-71.3168.6000111.6L90 N91 L97 V98 R139 V142 L146L90-L94 HydrophobicContact CD1-CD1 4.24Å; L90-L94 HydrophobicContact CD1-CG 4.14Å; L90-L94 HydrophobicContact CG-CD1 4.05Å; L90-L94 HydrophobicContact CG-CG 4.44Å; L90-L94 WeakPolarHBondContact O-CB 3.26Å; L90-L94 WeakPolarHBondContact O-CD1 3.28Å; L90-L94 WeakPolarHBondContact O-CG 3.39Å; L90-L94 PolarHBondContact O-N 3.01Å; N91-L94 PolarHBondContact O-N 3.41Å; L94-L97 PolarHBondContact O-N 3.3Å; L94-V98 VanDerWaalsContact O-CG2 3.32Å; L94-V98 WeakPolarHBondContact O-CG2 3.13Å; L94-V98 PolarHBondContact O-N 3.42Å; L94-R139 HydrophobicContact CD1-CG 3.8Å; L94-V142 VanDerWaalsContact C-CG1 3.5Å; L94-V142 HydrophobicContact CB-CB 4.4Å; L94-V142 HydrophobicContact CB-CG1 3.54Å; L94-L146 HydrophobicContact CD2-CD2 3.64Å
95H98.8Very high98.1Very high0 Ų024.2 Ų24.20%013%0.132CC..Hα-helixtrans-64.1-41.5175.5178.562.6000112.1Y15 N91 V92 V93 V98 T99 H129 V133 V142 Y440Y15-H95 AromaticContact CD2-CD2 3.75Å; Y15-H95 AromaticContact CE2-CD2 3.69Å; Y15-H95 AromaticContact CE2-NE2 3.59Å; N91-H95 WeakPolarHBondContact O-CB 3.25Å; N91-H95 PolarHBondContact O-N 3.05Å; V92-H95 PolarHBondContact O-N 3.45Å; V93-H95 VanDerWaalsContact C-N 3.35Å; V93-H95 PolarHBondContact O-N 3.31Å; H95-V98 PolarHBondContact O-N 3.35Å; H95-T99 WeakPolarHBondContact O-CB 3.32Å; H95-T99 PolarHBondContact O-N 3.25Å; H95-T99 PolarHBondContact O-OG1 2.95Å; H95-H129 AromaticContact CE1-ND1 3.52Å; H95-V133 HydrophobicContact CB-CG1 3.93Å; H95-V133 HydrophobicContact CB-CG2 3.83Å; H95-V142 HydrophobicContact CB-CG1 4.31Å; H95-Y440 AromaticContact ND1-CE2 3.75Å; H95-Y440 AromaticContact ND1-CZ 3.74Å; H95-Y440 PolarHBondContact ND1-OH 3.46Å
96G98.8Very high98.1Very high2 Ų218.7 Ų18.72%0.02111%0.11CC..Hα-helixtrans-59.3-44.6171.800000112.8T8 V92 V93 T99 A100T8-G96 PolarHBondContact OG1-O 3.09Å; V92-G96 PolarHBondContact O-N 3.45Å; V93-G96 PolarHBondContact O-N 3.42Å; G96-T99 WeakPolarHBondContact O-CB 3.47Å; G96-T99 PolarHBondContact O-N 3.14Å; G96-A100 PolarHBondContact O-N 3.47Å
97L98.7Very high97.9Very high85 Ų8519.5 Ų19.545%0.44511%0.113SC..Hα-helixtrans-64.8-44.4176.2-69.8172.7000112.6V93 L94 T99 A100 L101 L146V93-L97 HydrophobicContact CG1-CD1 4.23Å; V93-L97 WeakPolarHBondContact O-CG 3.4Å; V93-L97 PolarHBondContact O-N 3.41Å; L94-L97 PolarHBondContact O-N 3.3Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 3.15Å; L97-A100 WeakPolarHBondContact O-CB 3.5Å; L97-A100 PolarHBondContact O-N 3.46Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 2.83Å; L97-L146 HydrophobicContact CB-CD1 4.24Å
98V98.8Very high97.5Very high0 Ų022.2 Ų22.20%013%0.132CC..Hα-helixtrans-59-45.7174.4171.70000110L94 H95 A100 L101 V102 F123 V142 A145 L146 L149 Y440L94-V98 VanDerWaalsContact O-CG2 3.32Å; L94-V98 WeakPolarHBondContact O-CG2 3.13Å; L94-V98 PolarHBondContact O-N 3.42Å; H95-V98 PolarHBondContact O-N 3.35Å; V98-A100 VanDerWaalsContact C-N 3.34Å; V98-A100 PolarHBondContact O-N 2.92Å; V98-L101 CarbonylContact O-C 3.58Å; V98-L101 PolarHBondContact O-N 3.17Å; V98-L101 VanDerWaalsContact O-N 3.09Å; V98-V102 HydrophobicContact CG1-CG2 4.27Å; V98-V102 WeakPolarHBondContact O-CG2 3.39Å; V98-V102 PolarHBondContact O-N 2.92Å; V98-F123 HydrophobicContact CG1-CE1 3.69Å; V98-F123 HydrophobicContact CG1-CZ 3.64Å; V98-V142 HydrophobicContact CG2-CG1 4.07Å; V98-V142 WeakPolarHBondContact CG2-O 3.37Å; V98-A145 HydrophobicContact CG1-CB 4.16Å; V98-A145 HydrophobicContact CG2-CB 4.19Å; V98-L146 HydrophobicContact CG2-CB 3.9Å; V98-L149 HydrophobicContact CG1-CD1 3.83Å; V98-Y440 HydrophobicContact CG1-CE1 4.05Å
99T98.8Very high97.2Very high0 Ų022.1 Ų22.10%013%0.131CC..Hα-helixtrans-59.5-41176.7-64.70000112.5C7 A11 H95 G96 L97 L101 V102 T103 A124C7-T99 HydrophobicContact CB-CG2 3.66Å; C7-T99 WeakPolarHBondContact O-CG2 3.5Å; A11-T99 HydrophobicContact CB-CG2 3.95Å; H95-T99 WeakPolarHBondContact O-CB 3.32Å; H95-T99 PolarHBondContact O-N 3.25Å; H95-T99 PolarHBondContact O-OG1 2.95Å; G96-T99 WeakPolarHBondContact O-CB 3.47Å; G96-T99 PolarHBondContact O-N 3.14Å; L97-T99 VanDerWaalsContact C-N 3.32Å; L97-T99 PolarHBondContact O-N 3.15Å; T99-L101 VanDerWaalsContact C-N 3.33Å; T99-L101 PolarHBondContact O-N 3.02Å; T99-V102 PolarHBondContact O-N 3.46Å; T99-T103 WeakPolarHBondContact O-CB 3.49Å; T99-T103 PolarHBondContact O-N 3.18Å; T99-T103 PolarHBondContact O-OG1 2.96Å; T99-A124 HydrophobicContact CG2-CB 3.77Å
100A98.4Very high97Very high24 Ų2419.6 Ų19.620%0.19812%0.118CC..Hα-helixtrans-58.9-44.9173.300000111.5T8 G96 L97 V98 T103 A104T8-A100 WeakPolarHBondContact OG1-CB 3.37Å; G96-A100 PolarHBondContact O-N 3.47Å; L97-A100 WeakPolarHBondContact O-CB 3.5Å; L97-A100 PolarHBondContact O-N 3.46Å; V98-A100 VanDerWaalsContact C-N 3.34Å; V98-A100 PolarHBondContact O-N 2.92Å; A100-T103 PolarHBondContact O-N 3.17Å; A100-A104 WeakPolarHBondContact O-CB 3.37Å; A100-A104 PolarHBondContact O-N 3.32Å
101L98.4Very high96.4Very high33 Ų3317.3 Ų17.317%0.17311%0.109CC..Hα-helixtrans-70.1-38.7179-64.2-175.1000113.1L97 V98 T99 T103 A104 L105 L146 L149 L150 L153L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 2.83Å; V98-L101 CarbonylContact O-C 3.58Å; V98-L101 PolarHBondContact O-N 3.17Å; V98-L101 VanDerWaalsContact O-N 3.09Å; T99-L101 VanDerWaalsContact C-N 3.33Å; T99-L101 PolarHBondContact O-N 3.02Å; L101-T103 VanDerWaalsContact C-N 3.29Å; L101-T103 PolarHBondContact O-N 3.49Å; L101-A104 PolarHBondContact O-N 3.27Å; L101-L105 WeakPolarHBondContact O-CB 3.39Å; L101-L105 PolarHBondContact O-N 2.93Å; L101-L146 HydrophobicContact CD1-CD1 3.69Å; L101-L149 HydrophobicContact CB-CB 3.93Å; L101-L149 HydrophobicContact CB-CD1 3.78Å; L101-L149 HydrophobicContact CB-CG 4.43Å; L101-L149 HydrophobicContact CD1-CB 3.86Å; L101-L150 HydrophobicContact CD1-CD2 3.81Å; L101-L150 HydrophobicContact CD1-CG 3.86Å; L101-L150 HydrophobicContact CD2-CD2 4.38Å; L101-L153 HydrophobicContact CB-CD1 4.38Å; L101-L153 HydrophobicContact CD2-CD1 3.85Å
102V98.4Very high95.8Very high0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-60.4-42171.91720000110.4V98 T99 L105 S106 F123 L149 I444V98-V102 HydrophobicContact CG1-CG2 4.27Å; V98-V102 WeakPolarHBondContact O-CG2 3.39Å; V98-V102 PolarHBondContact O-N 2.92Å; T99-V102 PolarHBondContact O-N 3.46Å; V102-L105 PolarHBondContact O-N 3.41Å; V102-S106 VanDerWaalsContact O-CB 3.31Å; V102-S106 WeakPolarHBondContact O-CB 3.36Å; V102-S106 PolarHBondContact O-N 3.45Å; V102-S106 PolarHBondContact O-OG 3.25Å; V102-F123 HydrophobicContact CB-CD1 4.39Å; V102-F123 HydrophobicContact CB-CG 4.38Å; V102-F123 HydrophobicContact CG1-CB 4.06Å; V102-F123 HydrophobicContact CG1-CD2 4.36Å; V102-F123 HydrophobicContact CG1-CG 4.05Å; V102-F123 HydrophobicContact CG2-CD1 4.1Å; V102-F123 HydrophobicContact CG2-CD2 4.19Å; V102-F123 HydrophobicContact CG2-CE1 4.11Å; V102-F123 HydrophobicContact CG2-CE2 4.19Å; V102-F123 HydrophobicContact CG2-CG 4.15Å; V102-F123 HydrophobicContact CG2-CZ 4.16Å; V102-L149 HydrophobicContact CG2-CD1 3.57Å; V102-L149 HydrophobicContact CG2-CD2 4.47Å; V102-I444 HydrophobicContact CG1-CG2 4.3Å; V102-I444 HydrophobicContact CG2-CD1 4.15Å; V102-I444 HydrophobicContact CG2-CG1 3.93Å; V102-I444 HydrophobicContact CG2-CG2 4.1Å
103T97.4Very high95.2Very high0 Ų030.3 Ų30.30%017%0.169CC..Hα-helixtrans-67.7-40.8177.2-520000111.4E4 C7 T99 A100 L101 S106 H107 G120E4-T103 HydrophobicContact CG-CG2 4.08Å; C7-T103 WeakPolarHBondContact CB-OG1 3.4Å; C7-T103 PolarHBondContact SG-OG1 3.17Å; T99-T103 WeakPolarHBondContact O-CB 3.49Å; T99-T103 PolarHBondContact O-N 3.18Å; T99-T103 PolarHBondContact O-OG1 2.96Å; A100-T103 PolarHBondContact O-N 3.17Å; L101-T103 VanDerWaalsContact C-N 3.29Å; L101-T103 PolarHBondContact O-N 3.49Å; T103-S106 CarbonylContact O-C 3.5Å; T103-S106 WeakPolarHBondContact O-CB 3.39Å; T103-S106 PolarHBondContact O-N 3.17Å; T103-H107 PolarHBondContact O-N 3.36Å; T103-H107 PolarHBondContact O-ND1 3.34Å; T103-G120 WeakPolarHBondContact OG1-CA 3.35Å
104A95.8Very high95Very high34 Ų3431.1 Ų31.128%0.28117%0.171SC..Hα-helixtrans-66.7-38176.100000113.3E4 A100 L101 H107 S108E4-A104 HydrophobicContact CG-CB 4.41Å; A100-A104 WeakPolarHBondContact O-CB 3.37Å; A100-A104 PolarHBondContact O-N 3.32Å; L101-A104 PolarHBondContact O-N 3.27Å; A104-H107 WeakPolarHBondContact O-CB 3.14Å; A104-H107 PolarHBondContact O-N 3.02Å; A104-S108 PolarHBondContact O-N 2.83Å
105L95.9Very high94.8Very high1 Ų132 Ų321%0.00517%0.173CC..Hα-helixtrans-64.4-43.9169.7178.463.2000110.5L101 V102 H107 S108 L109 L149 L152 L153 F411 I448L101-L105 WeakPolarHBondContact O-CB 3.39Å; L101-L105 PolarHBondContact O-N 2.93Å; V102-L105 PolarHBondContact O-N 3.41Å; L105-H107 PolarHBondContact O-N 3.28Å; L105-S108 PolarHBondContact O-N 3.16Å; L105-S108 VanDerWaalsContact O-N 3.09Å; L105-S108 PolarHBondContact O-OG 3.16Å; L105-L109 HydrophobicContact CD1-CD1 4.07Å; L105-L109 HydrophobicContact CD1-CG 4.42Å; L105-L109 HydrophobicContact CG-CD1 3.91Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 3.19Å; L105-L149 HydrophobicContact CD2-CD2 3.89Å; L105-L152 HydrophobicContact CD1-CD2 4.15Å; L105-L152 HydrophobicContact CD2-CD2 3.77Å; L105-L153 HydrophobicContact CB-CD2 4.47Å; L105-L153 HydrophobicContact CD1-CD2 4.38Å; L105-F411 HydrophobicContact CD2-CZ 4.43Å; L105-I448 HydrophobicContact CD2-CD1 4.34Å
106S96.2Very high94.6Very high0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-61.4-31.5176.4-60.20000112.3V102 T103 L109 L110 A119V102-S106 VanDerWaalsContact O-CB 3.31Å; V102-S106 WeakPolarHBondContact O-CB 3.36Å; V102-S106 PolarHBondContact O-N 3.45Å; V102-S106 PolarHBondContact O-OG 3.25Å; T103-S106 CarbonylContact O-C 3.5Å; T103-S106 WeakPolarHBondContact O-CB 3.39Å; T103-S106 PolarHBondContact O-N 3.17Å; S106-L109 PolarHBondContact O-N 3.12Å; S106-L110 WeakPolarHBondContact O-CB 3.06Å; S106-L110 PolarHBondContact O-N 2.88Å; S106-A119 WeakPolarHBondContact OG-CB 3.5Å
107H93Very high94.6Very high23 Ų2333.9 Ų33.911%0.10618%0.183CC..Hα-helixtrans-63.7-37.5172.3-73.4137.4000114.1T3 E4 T103 A104 L105 L109 G111 S116T3-H107 PolarHBondContact OG1-CE1 3.02Å; T3-H107 PolarHBondContact OG1-NE2 3.45Å; E4-H107 IonicContact OE1-CE1 3.87Å; E4-H107 PolarHBondContact OE1-CE1 2.96Å; E4-H107 VanDerWaalsContact OE1-CE1 3.24Å; E4-H107 IonicContact OE1-ND1 2.8Å; E4-H107 PolarHBondContact OE1-ND1 3.37Å; E4-H107 IonicContact OE2-CE1 2.91Å; E4-H107 PolarHBondContact OE2-CE1 3.46Å; E4-H107 IonicContact OE2-ND1 3.87Å; T103-H107 PolarHBondContact O-N 3.36Å; T103-H107 PolarHBondContact O-ND1 3.34Å; A104-H107 WeakPolarHBondContact O-CB 3.14Å; A104-H107 PolarHBondContact O-N 3.02Å; L105-H107 PolarHBondContact O-N 3.28Å; H107-L109 VanDerWaalsContact C-N 3.33Å; H107-G111 CarbonylContact O-C 3.58Å; H107-G111 VanDerWaalsContact O-CA 3.25Å; H107-G111 WeakPolarHBondContact O-CA 3.36Å; H107-G111 PolarHBondContact O-N 3.5Å; H107-G111 VanDerWaalsContact O-N 3.17Å; H107-S116 WeakPolarHBondContact CD2-CB 3.32Å; H107-S116 PolarHBondContact CD2-OG 2.94Å; H107-S116 PolarHBondContact NE2-OG 3.49Å
108S90.4Very high94.5Very high56 Ų5630.5 Ų30.539%0.39217%0.165SC..Hα-helixtrans-76.1-25.1179.1700000112.5A104 L105A104-S108 PolarHBondContact O-N 2.83Å; L105-S108 PolarHBondContact O-N 3.16Å; L105-S108 VanDerWaalsContact O-N 3.09Å; L105-S108 PolarHBondContact O-OG 3.16Å
109L92.9Very high94.5Very high0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-91.2-47.7-178.1-64.3175.8000113.5L105 S106 H107 Y213 V217 P403 L408 F411 I448L105-L109 HydrophobicContact CD1-CD1 4.07Å; L105-L109 HydrophobicContact CD1-CG 4.42Å; L105-L109 HydrophobicContact CG-CD1 3.91Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 3.19Å; S106-L109 PolarHBondContact O-N 3.12Å; H107-L109 VanDerWaalsContact C-N 3.33Å; L109-Y213 HydrophobicContact CD2-CE2 4.28Å; L109-V217 HydrophobicContact CD2-CG1 3.6Å; L109-V217 HydrophobicContact CD2-CG2 4.43Å; L109-P403 HydrophobicContact CD2-CG 4.36Å; L109-P403 WeakPolarHBondContact O-CD 3.28Å; L109-L408 HydrophobicContact CB-CD2 3.77Å; L109-L408 HydrophobicContact CD2-CD2 3.95Å; L109-L408 HydrophobicContact CG-CD2 4.37Å; L109-F411 HydrophobicContact CD1-CD1 3.8Å; L109-F411 HydrophobicContact CD1-CE1 3.5Å; L109-F411 VanDerWaalsContact CD1-CE1 3.5Å; L109-F411 HydrophobicContact CD1-CZ 4.48Å; L109-F411 HydrophobicContact CD2-CD1 4.42Å; L109-I448 HydrophobicContact CD1-CD1 4.05Å; L109-I448 HydrophobicContact CD1-CG2 4.33Å
110L92.7Very high94.5Very high6 Ų630.5 Ų30.53%0.03117%0.165CC..Hα-helixtrans-101.6-12.6-173.7-64.8169.7000113.5S106 W115 A119 L408 A451 R455S106-L110 WeakPolarHBondContact O-CB 3.06Å; S106-L110 PolarHBondContact O-N 2.88Å; L110-W115 HydrophobicContact CB-CB 4.14Å; L110-W115 HydrophobicContact CD1-CB 4.23Å; L110-A119 HydrophobicContact CD1-CB 4.25Å; L110-L408 HydrophobicContact CD2-CD1 3.88Å; L110-A451 HydrophobicContact CD1-CB 3.83Å; L110-R455 PolarHBondContact O-NH1 2.9Å
111G87.3Confident94.5Very high14 Ų1430.9 Ų30.914%0.14416%0.163CC..  trans88.9174.8-171.600000112.6H107 S116H107-G111 CarbonylContact O-C 3.58Å; H107-G111 VanDerWaalsContact O-CA 3.25Å; H107-G111 WeakPolarHBondContact O-CA 3.36Å; H107-G111 PolarHBondContact O-N 3.5Å; H107-G111 VanDerWaalsContact O-N 3.17Å; G111-S116 WeakPolarHBondContact O-CB 3.15Å; G111-S116 PolarHBondContact O-OG 2.68Å
112R84.3Confident94.5Very high239 Ų23929.4 Ų29.490%0.90216%0.156SC*.SBendtrans-77.7127.6173.9-66.8-177.9178-176.2-0.6110
113G87.3Confident94.5Very high36 Ų3629.4 Ų29.437%0.37116%0.156SC..SBendtrans144.3-148.8170.200000113.4W115 S116 L117G113-W115 VanDerWaalsContact C-N 3.32Å; G113-W115 PolarHBondContact O-N 3.44Å; G113-S116 PolarHBondContact N-OG 3.22Å; G113-S116 PolarHBondContact O-OG 2.96Å; G113-L117 PolarHBondContact O-N 2.61Å
114L93.3Very high94.6Very high83 Ų8329.4 Ų29.444%0.43516%0.156SC..Hα-helixtrans-59.1-36.6-172.2-175.459.7000114.2L118 L471L114-L118 WeakPolarHBondContact O-CB 3.43Å; L114-L118 PolarHBondContact O-N 3.02Å; L114-L471 HydrophobicContact CD2-CD1 4.08Å; L114-L471 HydrophobicContact CD2-CD2 3.63Å
115W94.9Very high94.7Very high36 Ų3627.9 Ų27.914%0.13614%0.143CC..Hα-helixtrans-76.4-34.6-172.9-50.8115.9000113.4L110 G113 L118 A119 A454 R455 Y458 M470 L471L110-W115 HydrophobicContact CB-CB 4.14Å; L110-W115 HydrophobicContact CD1-CB 4.23Å; G113-W115 VanDerWaalsContact C-N 3.32Å; G113-W115 PolarHBondContact O-N 3.44Å; W115-L118 HydrophobicContact CE3-CD2 4.22Å; W115-L118 HydrophobicContact CZ3-CD2 4.33Å; W115-A119 PolarHBondContact O-N 2.98Å; W115-A454 HydrophobicContact CE3-CB 4.34Å; W115-A454 HydrophobicContact CZ3-CB 3.94Å; W115-R455 HydrophobicContact CD2-CB 3.6Å; W115-R455 HydrophobicContact CD2-CG 4.02Å; W115-R455 HydrophobicContact CE3-CB 3.94Å; W115-R455 HydrophobicContact CG-CB 3.85Å; W115-R455 HydrophobicContact CG-CG 3.98Å; W115-R455 HydrophobicContact CZ2-CB 4.42Å; W115-R455 HydrophobicContact CZ3-CB 4.49Å; W115-Y458 HydrophobicContact CH2-CD1 4.2Å; W115-Y458 AromaticContact CH2-CD2 3.96Å; W115-Y458 HydrophobicContact CH2-CD2 3.96Å; W115-Y458 AromaticContact CH2-CG 3.63Å; W115-Y458 HydrophobicContact CH2-CG 3.63Å; W115-Y458 AromaticContact CZ2-CD1 3.72Å; W115-Y458 HydrophobicContact CZ2-CD1 3.72Å; W115-Y458 HydrophobicContact CZ2-CD2 4.28Å; W115-Y458 HydrophobicContact CZ2-CE1 4.39Å; W115-Y458 AromaticContact CZ2-CG 3.65Å; W115-Y458 HydrophobicContact CZ2-CG 3.65Å; W115-M470 HydrophobicContact CH2-CE 4.2Å; W115-M470 HydrophobicContact CZ3-CE 4.09Å; W115-L471 HydrophobicContact CH2-CD2 4.01Å; W115-L471 HydrophobicContact CZ3-CD2 4.36Å
116S95.5Very high94.8Very high0 Ų027.9 Ų27.90%014%0.143CC..Hα-helixtrans-74.1-35.8172.758.10000111.8H107 G111 G113 G120H107-S116 WeakPolarHBondContact CD2-CB 3.32Å; H107-S116 PolarHBondContact CD2-OG 2.94Å; H107-S116 PolarHBondContact NE2-OG 3.49Å; G111-S116 WeakPolarHBondContact O-CB 3.15Å; G111-S116 PolarHBondContact O-OG 2.68Å; G113-S116 PolarHBondContact N-OG 3.22Å; G113-S116 PolarHBondContact O-OG 2.96Å; S116-G120 PolarHBondContact O-N 2.95Å
117L97.3Very high94.9Very high42 Ų4227.9 Ų27.922%0.2214%0.143CC..Hα-helixtrans-60.9-46.8170.117863.2000110.8T3 V6 G113 G120 L121T3-L117 HydrophobicContact CG2-CB 4.09Å; T3-L117 HydrophobicContact CG2-CD1 4.26Å; V6-L117 HydrophobicContact CG1-CD1 4.18Å; G113-L117 PolarHBondContact O-N 2.61Å; L117-G120 PolarHBondContact O-N 3.1Å; L117-L121 HydrophobicContact CD1-CD1 3.79Å; L117-L121 HydrophobicContact CD1-CG 3.94Å; L117-L121 HydrophobicContact CG-CD1 3.83Å; L117-L121 HydrophobicContact CG-CG 4.33Å; L117-L121 WeakPolarHBondContact O-CB 3.47Å; L117-L121 WeakPolarHBondContact O-CG 3.17Å; L117-L121 PolarHBondContact O-N 3.34Å
118L98Very high95.1Very high14 Ų1426.8 Ų26.87%0.07314%0.138CC..Hα-helixtrans-60.6-46.1177179.261.6000112L114 W115 G120 L121 L122 A451 A454 C474 V478L114-L118 WeakPolarHBondContact O-CB 3.43Å; L114-L118 PolarHBondContact O-N 3.02Å; W115-L118 HydrophobicContact CE3-CD2 4.22Å; W115-L118 HydrophobicContact CZ3-CD2 4.33Å; L118-G120 VanDerWaalsContact C-N 3.35Å; L118-G120 PolarHBondContact O-N 3.38Å; L118-L121 PolarHBondContact O-N 2.89Å; L118-L122 HydrophobicContact CD1-CD1 3.93Å; L118-L122 HydrophobicContact CD1-CG 3.96Å; L118-L122 HydrophobicContact CG-CD1 3.9Å; L118-L122 HydrophobicContact CG-CG 4.36Å; L118-L122 WeakPolarHBondContact O-CB 3.13Å; L118-L122 VanDerWaalsContact O-CG 3.25Å; L118-L122 WeakPolarHBondContact O-CG 3.5Å; L118-L122 PolarHBondContact O-N 3.28Å; L118-A451 HydrophobicContact CD2-CB 4.48Å; L118-A454 HydrophobicContact CD2-CB 3.9Å; L118-C474 HydrophobicContact CD1-CB 3.91Å; L118-C474 HydrophobicContact CD2-CB 4.15Å; L118-V478 HydrophobicContact CD1-CG2 4.05Å
119A98.1Very high95.4Very high0 Ų024.1 Ų24.10%012%0.12CC..Hα-helixtrans-60.8-42.9176.700000112.2S106 L110 W115 F123 A451S106-A119 WeakPolarHBondContact OG-CB 3.5Å; L110-A119 HydrophobicContact CD1-CB 4.25Å; W115-A119 PolarHBondContact O-N 2.98Å; A119-F123 PolarHBondContact O-N 3.46Å; A119-F123 VanDerWaalsContact O-N 3.17Å; A119-A451 HydrophobicContact CB-CB 3.77Å
120G98.3Very high95.7Very high0 Ų024.1 Ų24.10%012%0.12CC..Hα-helixtrans-67-42.2177.200000113.5T103 S116 L117 L118 F123 A124T103-G120 WeakPolarHBondContact OG1-CA 3.35Å; S116-G120 PolarHBondContact O-N 2.95Å; L117-G120 PolarHBondContact O-N 3.1Å; L118-G120 VanDerWaalsContact C-N 3.35Å; L118-G120 PolarHBondContact O-N 3.38Å; G120-F123 PolarHBondContact O-N 2.9Å; G120-A124 VanDerWaalsContact O-CB 3.28Å; G120-A124 WeakPolarHBondContact O-CB 3.47Å; G120-A124 PolarHBondContact O-N 3.48Å
121L98.7Very high95.8Very high31 Ų3124.1 Ų24.116%0.16212%0.119CC..Hα-helixtrans-70.6-37.7177.5-72.3176.4000112.9V10 L117 L118 F123 A124 S125 V478V10-L121 HydrophobicContact CB-CD2 4.08Å; V10-L121 HydrophobicContact CG1-CD2 4.15Å; V10-L121 HydrophobicContact CG2-CD2 3.9Å; L117-L121 HydrophobicContact CD1-CD1 3.79Å; L117-L121 HydrophobicContact CD1-CG 3.94Å; L117-L121 HydrophobicContact CG-CD1 3.83Å; L117-L121 HydrophobicContact CG-CG 4.33Å; L117-L121 WeakPolarHBondContact O-CB 3.47Å; L117-L121 WeakPolarHBondContact O-CG 3.17Å; L117-L121 PolarHBondContact O-N 3.34Å; L118-L121 PolarHBondContact O-N 2.89Å; L121-F123 VanDerWaalsContact C-N 3.3Å; L121-F123 PolarHBondContact O-N 2.93Å; L121-A124 PolarHBondContact O-N 3.49Å; L121-S125 WeakPolarHBondContact O-CB 3.28Å; L121-S125 PolarHBondContact O-N 3.4Å; L121-S125 VanDerWaalsContact O-N 3.09Å; L121-S125 PolarHBondContact O-OG 3.35Å; L121-V478 HydrophobicContact CB-CG1 3.96Å; L121-V478 HydrophobicContact CB-CG2 4.14Å
122L98.6Very high96.3Very high3 Ų323.4 Ų23.42%0.01611%0.112CC..Hα-helixtrans-61.7-40.3173-76.5170.8000111.2L118 H126 C447 V450 L477 V478L118-L122 HydrophobicContact CD1-CD1 3.93Å; L118-L122 HydrophobicContact CD1-CG 3.96Å; L118-L122 HydrophobicContact CG-CD1 3.9Å; L118-L122 HydrophobicContact CG-CG 4.36Å; L118-L122 WeakPolarHBondContact O-CB 3.13Å; L118-L122 VanDerWaalsContact O-CG 3.25Å; L118-L122 WeakPolarHBondContact O-CG 3.5Å; L118-L122 PolarHBondContact O-N 3.28Å; L122-H126 WeakPolarHBondContact O-CB 3.41Å; L122-H126 PolarHBondContact O-N 3.06Å; L122-C447 HydrophobicContact CB-CB 4.21Å; L122-V450 HydrophobicContact CD1-CB 4.13Å; L122-V450 HydrophobicContact CD1-CG1 3.67Å; L122-L477 HydrophobicContact CD2-CD2 3.89Å; L122-L477 HydrophobicContact CD2-CG 4.03Å; L122-V478 HydrophobicContact CD2-CG2 3.76Å; L122-V478 HydrophobicContact CG-CG2 4.03Å
123F98.8Very high96.9Very high0 Ų012 Ų120%07%0.069CC..Hα-helixtrans-67-51.4174-174.9-88.4000111.3V98 V102 A119 G120 L121 S125 H126 H129 Y440 S443 I444 C447V98-F123 HydrophobicContact CG1-CE1 3.69Å; V98-F123 HydrophobicContact CG1-CZ 3.64Å; V102-F123 HydrophobicContact CB-CD1 4.39Å; V102-F123 HydrophobicContact CB-CG 4.38Å; V102-F123 HydrophobicContact CG1-CB 4.06Å; V102-F123 HydrophobicContact CG1-CD2 4.36Å; V102-F123 HydrophobicContact CG1-CG 4.05Å; V102-F123 HydrophobicContact CG2-CD1 4.1Å; V102-F123 HydrophobicContact CG2-CD2 4.19Å; V102-F123 HydrophobicContact CG2-CE1 4.11Å; V102-F123 HydrophobicContact CG2-CE2 4.19Å; V102-F123 HydrophobicContact CG2-CG 4.15Å; V102-F123 HydrophobicContact CG2-CZ 4.16Å; A119-F123 PolarHBondContact O-N 3.46Å; A119-F123 VanDerWaalsContact O-N 3.17Å; G120-F123 PolarHBondContact O-N 2.9Å; L121-F123 VanDerWaalsContact C-N 3.3Å; L121-F123 PolarHBondContact O-N 2.93Å; F123-S125 PolarHBondContact O-N 3.42Å; F123-S125 VanDerWaalsContact O-N 3.07Å; F123-H126 PolarHBondContact O-N 3.25Å; F123-H129 AromaticContact CD1-CE1 3.99Å; F123-H129 AromaticContact CD2-CE1 3.53Å; F123-H129 AromaticContact CE1-CE1 3.85Å; F123-H129 AromaticContact CE2-CE1 3.38Å; F123-H129 WeakPolarHBondContact CE2-CE1 3.15Å; F123-H129 AromaticContact CE2-NE2 3.8Å; F123-H129 AromaticContact CG-CE1 3.83Å; F123-H129 AromaticContact CZ-CE1 3.55Å; F123-H129 PolarHBondContact O-CE1 2.95Å; F123-H129 PolarHBondContact O-ND1 3.04Å; F123-Y440 HydrophobicContact CZ-CE1 4.12Å; F123-Y440 HydrophobicContact CZ-CE2 4.12Å; F123-Y440 AromaticContact CZ-CZ 3.78Å; F123-S443 WeakPolarHBondContact CE2-OG 3.38Å; F123-I444 HydrophobicContact CD2-CG1 3.95Å; F123-I444 HydrophobicContact CE2-CD1 4.37Å; F123-I444 HydrophobicContact CE2-CG1 3.43Å; F123-I444 VanDerWaalsContact CE2-CG1 3.43Å; F123-I444 HydrophobicContact CZ-CG1 4.23Å; F123-C447 HydrophobicContact CB-CB 4.39Å; F123-C447 PolarHBondContact N-SG 3.45Å
124A98.6Very high97.4Very high0 Ų010.4 Ų10.40%05%0.052CC..Hα-helixtrans-56.3-26.4-17900000114.7V10 A11 L14 T99 G120 L121V10-A124 HydrophobicContact CG1-CB 4.34Å; A11-A124 HydrophobicContact CB-CB 3.88Å; L14-A124 WeakPolarHBondContact CD1-O 3.45Å; T99-A124 HydrophobicContact CG2-CB 3.77Å; G120-A124 VanDerWaalsContact O-CB 3.28Å; G120-A124 WeakPolarHBondContact O-CB 3.47Å; G120-A124 PolarHBondContact O-N 3.48Å; L121-A124 PolarHBondContact O-N 3.49Å
125S98.3Very high97.5Very high1 Ų16.6 Ų6.61%0.0073%0.033CC..THydrogen-bonded Turntrans-106.6-0.6-172.560.30000114.7L121 F123 P127 N481 T485L121-S125 WeakPolarHBondContact O-CB 3.28Å; L121-S125 PolarHBondContact O-N 3.4Å; L121-S125 VanDerWaalsContact O-N 3.09Å; L121-S125 PolarHBondContact O-OG 3.35Å; F123-S125 PolarHBondContact O-N 3.42Å; F123-S125 VanDerWaalsContact O-N 3.07Å; S125-P127 WeakPolarHBondContact O-CD 3.35Å; S125-N481 CarbonylContact O-C 3.6Å; S125-N481 WeakPolarHBondContact O-CB 3.34Å; S125-N481 VanDerWaalsContact O-O 3.04Å; S125-T485 PolarHBondContact O-OG1 2.97Å
126H98.4Very high97.6Very high1 Ų14.9 Ų4.91%0.0053%0.026CC..  trans-74.1119.2-164.6-161.1-74000113.8L122 F123 A128 H129 L299L122-H126 WeakPolarHBondContact O-CB 3.41Å; L122-H126 PolarHBondContact O-N 3.06Å; F123-H126 PolarHBondContact O-N 3.25Å; H126-A128 VanDerWaalsContact C-N 3.31Å; H126-A128 WeakPolarHBondContact ND1-CB 3.48Å; H126-A128 PolarHBondContact ND1-N 3.18Å; H126-A128 PolarHBondContact O-N 3.5Å; H126-A128 VanDerWaalsContact O-N 3.14Å; H126-H129 VanDerWaalsContact O-CB 3.32Å; H126-H129 WeakPolarHBondContact O-CB 3.41Å; H126-H129 PolarHBondContact O-N 3.49Å; H126-L299 PolarHBondContact NE2-O 3.39Å
127P98Very high97.6Very high0 Ų05.1 Ų5.10%03%0.028CC..G310 helixtrans-58.3-34.7-174.6-28.435.8000115.7S125 H129 T130 P302 L305 N481 R484 T485S125-P127 WeakPolarHBondContact O-CD 3.35Å; P127-H129 PolarHBondContact O-N 2.85Å; P127-T130 VanDerWaalsContact O-CB 3.31Å; P127-T130 WeakPolarHBondContact O-CB 3.42Å; P127-T130 PolarHBondContact O-N 2.59Å; P127-T130 PolarHBondContact O-OG1 3.27Å; P127-P302 HydrophobicContact CB-CB 3.97Å; P127-P302 HydrophobicContact CB-CG 4Å; P127-P302 HydrophobicContact CG-CB 4.33Å; P127-P302 HydrophobicContact CG-CG 3.8Å; P127-L305 HydrophobicContact CB-CD1 3.86Å; P127-N481 HydrophobicContact CG-CB 4.47Å; P127-N481 WeakPolarHBondContact CG-O 3.48Å; P127-R484 HydrophobicContact CB-CB 4.16Å; P127-R484 HydrophobicContact CG-CB 3.51Å; P127-T485 WeakPolarHBondContact CA-OG1 3.26Å
128A96.8Very high97.6Very high1 Ų13.2 Ų3.21%0.0082%0.018CC..G310 helixtrans-64.3-4.1175.600000114.6H126 T130H126-A128 VanDerWaalsContact C-N 3.31Å; H126-A128 WeakPolarHBondContact ND1-CB 3.48Å; H126-A128 PolarHBondContact ND1-N 3.18Å; H126-A128 PolarHBondContact O-N 3.5Å; H126-A128 VanDerWaalsContact O-N 3.14Å; A128-T130 VanDerWaalsContact C-N 3.32Å
129H98.1Very high97.6Very high0 Ų02.5 Ų2.50%02%0.015CC..G310 helixtrans-82.2-12.1169.7-65.4-178000112.8Y15 H95 F123 H126 P127 E131 A132 V133 Y440 S443Y15-H129 WeakPolarHBondContact OH-CB 3.19Å; H95-H129 AromaticContact CE1-ND1 3.52Å; F123-H129 AromaticContact CD1-CE1 3.99Å; F123-H129 AromaticContact CD2-CE1 3.53Å; F123-H129 AromaticContact CE1-CE1 3.85Å; F123-H129 AromaticContact CE2-CE1 3.38Å; F123-H129 WeakPolarHBondContact CE2-CE1 3.15Å; F123-H129 AromaticContact CE2-NE2 3.8Å; F123-H129 AromaticContact CG-CE1 3.83Å; F123-H129 AromaticContact CZ-CE1 3.55Å; F123-H129 PolarHBondContact O-CE1 2.95Å; F123-H129 PolarHBondContact O-ND1 3.04Å; H126-H129 VanDerWaalsContact O-CB 3.32Å; H126-H129 WeakPolarHBondContact O-CB 3.41Å; H126-H129 PolarHBondContact O-N 3.49Å; P127-H129 PolarHBondContact O-N 2.85Å; H129-E131 PolarHBondContact O-N 3.26Å; H129-A132 WeakPolarHBondContact O-CA 3.45Å; H129-A132 WeakPolarHBondContact O-CB 3.33Å; H129-A132 PolarHBondContact O-N 3.44Å; H129-V133 HydrophobicContact CB-CG2 4.34Å; H129-V133 WeakPolarHBondContact O-CG2 3.38Å; H129-V133 PolarHBondContact O-N 3.08Å; H129-Y440 HydrophobicContact CB-CD2 3.89Å; H129-Y440 HydrophobicContact CB-CE2 3.88Å; H129-Y440 AromaticContact CD2-CD2 3.55Å; H129-Y440 AromaticContact CG-CD2 3.53Å; H129-Y440 AromaticContact CG-CE2 3.57Å; H129-Y440 AromaticContact ND1-CD2 3.96Å; H129-Y440 AromaticContact ND1-CE2 3.6Å; H129-Y440 AromaticContact NE2-CD2 4Å; H129-S443 PolarHBondContact NE2-OG 3.28Å
130T97.6Very high97.6Very high0 Ų02.5 Ų2.50%02%0.015CC..Hα-helixtrans-61.6-42.1-170.2-51.90000112.9Y15 P127 A128 A132 V133 A134 R488 N489Y15-T130 HydrophobicContact CE1-CG2 4.41Å; Y15-T130 PolarHBondContact OH-N 3Å; P127-T130 VanDerWaalsContact O-CB 3.31Å; P127-T130 WeakPolarHBondContact O-CB 3.42Å; P127-T130 PolarHBondContact O-N 2.59Å; P127-T130 PolarHBondContact O-OG1 3.27Å; A128-T130 VanDerWaalsContact C-N 3.32Å; T130-A132 VanDerWaalsContact C-N 3.25Å; T130-A132 PolarHBondContact O-N 3.36Å; T130-V133 PolarHBondContact O-N 3.35Å; T130-A134 HydrophobicContact CG2-CB 3.82Å; T130-A134 WeakPolarHBondContact O-CA 3.44Å; T130-A134 VanDerWaalsContact O-CB 3.22Å; T130-A134 WeakPolarHBondContact O-CB 2.93Å; T130-A134 PolarHBondContact O-N 2.99Å; T130-R488 HydrophobicContact CG2-CB 4.13Å; T130-R488 HydrophobicContact CG2-CG 3.64Å; T130-N489 WeakPolarHBondContact CG2-OD1 3.43Å
131E96Very high97.5Very high5 Ų52.7 Ų2.72%0.0232%0.015CC..Hα-helixtrans-57.7-38.1172.8-170.8-168.1169.300112.2H129 E436 R437 W492H129-E131 PolarHBondContact O-N 3.26Å; E131-E436 HydrophobicContact CB-CB 4.05Å; E131-E436 WeakPolarHBondContact OE2-CA 2.92Å; E131-E436 WeakPolarHBondContact OE2-CB 3.26Å; E131-E436 PolarHBondContact OE2-N 2.84Å; E131-R437 HydrophobicContact CB-CB 4.36Å; E131-R437 VanDerWaalsContact CD-CG 3.5Å; E131-R437 HydrophobicContact CG-CB 4.07Å; E131-R437 HydrophobicContact CG-CG 4.43Å; E131-R437 WeakPolarHBondContact OE1-CD 2.99Å; E131-R437 VanDerWaalsContact OE1-CG 3.29Å; E131-R437 WeakPolarHBondContact OE1-CG 3.31Å; E131-R437 IonicContact OE1-CZ 3.66Å; E131-R437 IonicContact OE1-NE 3.77Å; E131-R437 PolarHBondContact OE1-NE 2.91Å; E131-R437 IonicContact OE1-NH1 2.74Å; E131-R437 PolarHBondContact OE1-NH1 3.04Å; E131-R437 WeakPolarHBondContact OE2-CG 3.39Å; E131-R437 PolarHBondContact OE2-N 3.08Å; E131-W492 HydrophobicContact CB-CH2 4.5Å; E131-W492 HydrophobicContact CB-CZ2 3.93Å; E131-W492 HydrophobicContact CG-CH2 3.8Å; E131-W492 HydrophobicContact CG-CZ2 3.68Å
132A96.8Very high97.5Very high0 Ų01.2 Ų1.20%01%0.008CC..Hα-helixtrans-76.5-28.6-177.900000113.6H129 T130 G138 D141 V142 R437 Y440H129-A132 WeakPolarHBondContact O-CA 3.45Å; H129-A132 WeakPolarHBondContact O-CB 3.33Å; H129-A132 PolarHBondContact O-N 3.44Å; T130-A132 VanDerWaalsContact C-N 3.25Å; T130-A132 PolarHBondContact O-N 3.36Å; A132-G138 CarbonylContact O-C 3.3Å; A132-G138 VanDerWaalsContact O-CA 3.28Å; A132-G138 WeakPolarHBondContact O-CA 3.39Å; A132-D141 HydrophobicContact CB-CB 4.11Å; A132-V142 HydrophobicContact CB-CG2 4.17Å; A132-V142 WeakPolarHBondContact O-CG2 3.17Å; A132-R437 HydrophobicContact CB-CB 4.42Å; A132-Y440 HydrophobicContact CB-CD2 3.75Å; A132-Y440 HydrophobicContact CB-CE2 4.35Å; A132-Y440 HydrophobicContact CB-CG 4.08Å
133V98.1Very high97.5Very high0 Ų01 Ų10%01%0.007CC..Hα-helixtrans-104.1-45.3-173.4-175.80000112.2Y15 N91 V92 H95 H129 T130 V142 Y440Y15-V133 HydrophobicContact CD1-CB 3.97Å; Y15-V133 HydrophobicContact CD1-CG1 3.59Å; Y15-V133 HydrophobicContact CD2-CG1 3.96Å; Y15-V133 HydrophobicContact CE1-CB 3.66Å; Y15-V133 HydrophobicContact CE1-CG1 3.82Å; Y15-V133 HydrophobicContact CE1-CG2 4.43Å; Y15-V133 HydrophobicContact CE2-CB 4.31Å; Y15-V133 HydrophobicContact CE2-CG1 4.14Å; Y15-V133 HydrophobicContact CE2-CG2 4.37Å; Y15-V133 HydrophobicContact CG-CB 4.44Å; Y15-V133 HydrophobicContact CG-CG1 3.68Å; N91-V133 VanDerWaalsContact CB-O 3.28Å; N91-V133 WeakPolarHBondContact CB-O 3.47Å; N91-V133 PolarHBondContact ND2-O 3.46Å; V92-V133 HydrophobicContact CG2-CG1 4.31Å; H95-V133 HydrophobicContact CB-CG1 3.93Å; H95-V133 HydrophobicContact CB-CG2 3.83Å; H129-V133 HydrophobicContact CB-CG2 4.34Å; H129-V133 WeakPolarHBondContact O-CG2 3.38Å; H129-V133 PolarHBondContact O-N 3.08Å; T130-V133 PolarHBondContact O-N 3.35Å; V133-V142 HydrophobicContact CG2-CG2 4.23Å; V133-Y440 HydrophobicContact CG2-CE2 4.15Å
134A97.3Very high97.5Very high2 Ų21.1 Ų1.12%0.0171%0.007CC..THydrogen-bonded Turntrans-76.2-48.7-179.100000111.8T18 H88 T130 W492T18-A134 HydrophobicContact CG2-CB 3.63Å; H88-A134 PolarHBondContact CE1-O 3.22Å; H88-A134 PolarHBondContact ND1-O 3.49Å; T130-A134 HydrophobicContact CG2-CB 3.82Å; T130-A134 WeakPolarHBondContact O-CA 3.44Å; T130-A134 VanDerWaalsContact O-CB 3.22Å; T130-A134 WeakPolarHBondContact O-CB 2.93Å; T130-A134 PolarHBondContact O-N 2.99Å; A134-W492 HydrophobicContact CB-CB 3.73Å; A134-W492 HydrophobicContact CB-CD2 4.41Å; A134-W492 HydrophobicContact CB-CG 3.82Å
135G95.6Very high97.5Very high2 Ų21.1 Ų1.12%0.0211%0.007CC..SBendtrans-66.7129.7172.600000110.9N91 V137 G138 W492N91-G135 PolarHBondContact ND2-O 3.49Å; G135-V137 PolarHBondContact O-N 3.1Å; G135-G138 WeakPolarHBondContact O-CA 2.97Å; G135-G138 PolarHBondContact O-N 2.75Å; G135-G138 VanDerWaalsContact O-N 3.07Å; G135-W492 VanDerWaalsContact CA-CE3 3.48Å
136V96.9Very high97.5Very high0 Ų02.2 Ų2.20%01%0.013CC..G310 helixtrans-66.7-41.7-171.9-178.80000111.3F23 D27 I31 F73 Y87 H88 N91 G138 R139F23-V136 HydrophobicContact CD1-CB 4.46Å; F23-V136 HydrophobicContact CD1-CG2 3.93Å; F23-V136 HydrophobicContact CE1-CG2 4.16Å; D27-V136 WeakPolarHBondContact OD1-CA 3Å; D27-V136 WeakPolarHBondContact OD1-CB 3.4Å; D27-V136 PolarHBondContact OD1-N 3.15Å; D27-V136 PolarHBondContact OD2-N 2.84Å; D27-V136 VanDerWaalsContact OD2-N 3.16Å; I31-V136 HydrophobicContact CD1-CB 3.81Å; I31-V136 HydrophobicContact CD1-CG1 3.37Å; F73-V136 HydrophobicContact CD1-CG1 4.43Å; F73-V136 HydrophobicContact CE1-CG1 3.76Å; F73-V136 HydrophobicContact CZ-CG1 4.41Å; Y87-V136 HydrophobicContact CD1-CG1 3.77Å; Y87-V136 HydrophobicContact CG-CG1 4.09Å; H88-V136 WeakPolarHBondContact CE1-CG2 3.37Å; N91-V136 WeakPolarHBondContact ND2-CA 3.18Å; N91-V136 PolarHBondContact ND2-O 3.45Å; N91-V136 VanDerWaalsContact ND2-O 3.14Å; V136-G138 PolarHBondContact O-N 3.17Å; V136-G138 VanDerWaalsContact O-N 3.13Å; V136-R139 VanDerWaalsContact O-CB 3.24Å; V136-R139 WeakPolarHBondContact O-CB 3.31Å; V136-R139 PolarHBondContact O-N 2.79Å
137V95.8Very high97.6Very high5 Ų54.9 Ų4.93%0.033%0.025CC..G310 helixtrans-54.7-27.7173.3158.50000113.1D26 D27 A30 F51 W52 G135 R139 A140D26-V137 HydrophobicContact CB-CB 4.23Å; D26-V137 HydrophobicContact CB-CG1 4.16Å; D26-V137 HydrophobicContact CB-CG2 4.07Å; D27-V137 WeakPolarHBondContact OD1-CB 3.42Å; D27-V137 WeakPolarHBondContact OD1-CG2 3.36Å; D27-V137 PolarHBondContact OD1-N 2.87Å; A30-V137 HydrophobicContact CB-CG2 3.36Å; F51-V137 HydrophobicContact CE1-CB 4.37Å; F51-V137 HydrophobicContact CE1-CG1 3.65Å; F51-V137 HydrophobicContact CE1-CG2 3.99Å; F51-V137 HydrophobicContact CZ-CB 4.3Å; F51-V137 HydrophobicContact CZ-CG1 3.88Å; F51-V137 HydrophobicContact CZ-CG2 4.04Å; W52-V137 HydrophobicContact CH2-CG1 4.36Å; W52-V137 HydrophobicContact CZ3-CG2 4.36Å; G135-V137 PolarHBondContact O-N 3.1Å; V137-R139 PolarHBondContact O-N 3.15Å; V137-A140 PolarHBondContact O-N 3.23Å
138G96.3Very high97.6Very high2 Ų25 Ų52%0.0213%0.025CC..G310 helixtrans-56.9-17.1173.300000114.7A132 G135 V136 A140 D141 V142A132-G138 CarbonylContact O-C 3.3Å; A132-G138 VanDerWaalsContact O-CA 3.28Å; A132-G138 WeakPolarHBondContact O-CA 3.39Å; G135-G138 WeakPolarHBondContact O-CA 2.97Å; G135-G138 PolarHBondContact O-N 2.75Å; G135-G138 VanDerWaalsContact O-N 3.07Å; V136-G138 PolarHBondContact O-N 3.17Å; V136-G138 VanDerWaalsContact O-N 3.13Å; G138-A140 PolarHBondContact O-N 3.32Å; G138-D141 WeakPolarHBondContact O-CB 3.4Å; G138-D141 PolarHBondContact O-N 3.03Å; G138-V142 PolarHBondContact O-N 3.09Å
139R97.8Very high97.7Very high0 Ų05 Ų50%03%0.025CC..Hα-helixtrans-51.7-29.7173.1-160.4-171.8-72.8-173.3-7.5113.4S72 F73 N76 Y87 N91 L94 V136 V137 D141 V142 G143 W199S72-R139 PolarHBondContact O-NH1 2.87Å; S72-R139 WeakPolarHBondContact OG-CD 3.24Å; S72-R139 PolarHBondContact OG-NH1 3.18Å; F73-R139 VanDerWaalsContact CD1-NH1 3.31Å; F73-R139 HydrophobicContact CE1-CB 4.07Å; F73-R139 HydrophobicContact CZ-CB 4.19Å; N76-R139 PolarHBondContact OD1-NH1 3.3Å; N76-R139 PolarHBondContact OD1-NH2 3.13Å; Y87-R139 VanDerWaalsContact CA-NH2 3.28Å; Y87-R139 PolarHBondContact O-NH2 3.36Å; N91-R139 WeakPolarHBondContact OD1-CB 3.23Å; N91-R139 VanDerWaalsContact OD1-CG 3.27Å; N91-R139 WeakPolarHBondContact OD1-CG 3.36Å; N91-R139 PolarHBondContact OD1-NE 3.2Å; L94-R139 HydrophobicContact CD1-CG 3.8Å; V136-R139 VanDerWaalsContact O-CB 3.24Å; V136-R139 WeakPolarHBondContact O-CB 3.31Å; V136-R139 PolarHBondContact O-N 2.79Å; V137-R139 PolarHBondContact O-N 3.15Å; R139-D141 VanDerWaalsContact C-N 3.28Å; R139-D141 PolarHBondContact O-N 2.65Å; R139-V142 PolarHBondContact O-N 3.36Å; R139-G143 PolarHBondContact O-N 3.03Å; R139-W199 HydrophobicContact CG-CH2 4.21Å; R139-W199 HydrophobicContact CG-CZ3 3.75Å; R139-W199 WeakPolarHBondContact O-CZ3 3.38Å
140A97.9Very high97.7Very high0 Ų07.8 Ų7.80%04%0.04CC..Hα-helixtrans-54.7-43.9173.300000112.2V137 G138 A144V137-A140 PolarHBondContact O-N 3.23Å; G138-A140 PolarHBondContact O-N 3.32Å; A140-A144 WeakPolarHBondContact O-CB 3.41Å; A140-A144 PolarHBondContact O-N 2.89Å
141D98Very high97.8Very high3 Ų37.8 Ų7.82%0.0164%0.04CC..Hα-helixtrans-73.7-45.3179.6-74.4-81.6000112.4A132 G138 R139 A144 A145 K200 R437A132-D141 HydrophobicContact CB-CB 4.11Å; G138-D141 WeakPolarHBondContact O-CB 3.4Å; G138-D141 PolarHBondContact O-N 3.03Å; R139-D141 VanDerWaalsContact C-N 3.28Å; R139-D141 PolarHBondContact O-N 2.65Å; D141-A144 PolarHBondContact O-N 3.1Å; D141-A145 VanDerWaalsContact O-CB 3.31Å; D141-A145 WeakPolarHBondContact O-CB 3.11Å; D141-A145 PolarHBondContact O-N 3.42Å; D141-K200 WeakPolarHBondContact OD1-CD 3.48Å; D141-K200 WeakPolarHBondContact OD1-CE 3.47Å; D141-K200 IonicContact OD1-NZ 3.36Å; D141-K200 PolarHBondContact OD1-NZ 3.04Å; D141-K200 IonicContact OD2-NZ 2.67Å; D141-K200 PolarHBondContact OD2-NZ 2.87Å; D141-R437 VanDerWaalsContact OD1-O 3.07Å
142V98.4Very high97.9Very high0 Ų07.6 Ų7.60%04%0.039CC..Hα-helixtrans-67.2-43.1-178.7-168.40000111.2L94 H95 V98 A132 V133 G138 R139 A145 L146 Y440L94-V142 VanDerWaalsContact C-CG1 3.5Å; L94-V142 HydrophobicContact CB-CB 4.4Å; L94-V142 HydrophobicContact CB-CG1 3.54Å; H95-V142 HydrophobicContact CB-CG1 4.31Å; V98-V142 HydrophobicContact CG2-CG1 4.07Å; V98-V142 WeakPolarHBondContact CG2-O 3.37Å; A132-V142 HydrophobicContact CB-CG2 4.17Å; A132-V142 WeakPolarHBondContact O-CG2 3.17Å; V133-V142 HydrophobicContact CG2-CG2 4.23Å; G138-V142 PolarHBondContact O-N 3.09Å; R139-V142 PolarHBondContact O-N 3.36Å; V142-A145 PolarHBondContact O-N 3.27Å; V142-L146 PolarHBondContact O-N 3.11Å; V142-Y440 HydrophobicContact CB-CE1 4.33Å; V142-Y440 HydrophobicContact CG1-CE1 4.32Å; V142-Y440 HydrophobicContact CG2-CE1 4.23Å; V142-Y440 HydrophobicContact CG2-CE2 4.43Å
143G98.4Very high97.9Very high0 Ų09.7 Ų9.70%05%0.05CC..Hα-helixtrans-66.6-41.4174.900000112.7R139 A145 L146 F147R139-G143 PolarHBondContact O-N 3.03Å; G143-A145 VanDerWaalsContact C-N 3.34Å; G143-A145 PolarHBondContact O-N 2.81Å; G143-L146 WeakPolarHBondContact O-CB 3.34Å; G143-L146 PolarHBondContact O-N 3.15Å; G143-F147 WeakPolarHBondContact O-CD2 3.21Å; G143-F147 PolarHBondContact O-N 3.13Å
144A98.6Very high97.9Very high1 Ų110.6 Ų10.61%0.0086%0.056CC..Hα-helixtrans-59.9-45173.300000111.4A140 D141 L146 F147 F148 S196 W199 K200 I441A140-A144 WeakPolarHBondContact O-CB 3.41Å; A140-A144 PolarHBondContact O-N 2.89Å; D141-A144 PolarHBondContact O-N 3.1Å; A144-L146 PolarHBondContact O-N 3.35Å; A144-F147 PolarHBondContact O-N 3.4Å; A144-F148 VanDerWaalsContact O-CB 3.23Å; A144-F148 WeakPolarHBondContact O-CB 3.39Å; A144-F148 PolarHBondContact O-N 3.06Å; A144-S196 PolarHBondContact O-OG 3.13Å; A144-W199 HydrophobicContact CB-CB 3.87Å; A144-K200 HydrophobicContact CB-CB 3.68Å; A144-I441 HydrophobicContact CB-CD1 4.36Å
145A98.7Very high97.9Very high0 Ų010.5 Ų10.50%06%0.055CC..Hα-helixtrans-63.4-37177.800000113.5V98 D141 V142 G143 F148 L149 Y440 I441V98-A145 HydrophobicContact CG1-CB 4.16Å; V98-A145 HydrophobicContact CG2-CB 4.19Å; D141-A145 VanDerWaalsContact O-CB 3.31Å; D141-A145 WeakPolarHBondContact O-CB 3.11Å; D141-A145 PolarHBondContact O-N 3.42Å; V142-A145 PolarHBondContact O-N 3.27Å; G143-A145 VanDerWaalsContact C-N 3.34Å; G143-A145 PolarHBondContact O-N 2.81Å; A145-F148 WeakPolarHBondContact O-CB 3.06Å; A145-F148 PolarHBondContact O-N 3.03Å; A145-L149 WeakPolarHBondContact O-CG 3.39Å; A145-L149 PolarHBondContact O-N 2.86Å; A145-Y440 HydrophobicContact CB-CD1 3.75Å; A145-Y440 HydrophobicContact CB-CE1 3.55Å; A145-I441 HydrophobicContact CB-CD1 4.25Å; A145-I441 HydrophobicContact CB-CG1 3.72Å
146L98.8Very high97.8Very high24 Ų2411.2 Ų11.213%0.1266%0.061CC..Hα-helixtrans-58.3-54.7174.5176.262.2000110.6L94 L97 V98 L101 V142 G143 A144 F148 L149 L150L94-L146 HydrophobicContact CD2-CD2 3.64Å; L97-L146 HydrophobicContact CB-CD1 4.24Å; V98-L146 HydrophobicContact CG2-CB 3.9Å; L101-L146 HydrophobicContact CD1-CD1 3.69Å; V142-L146 PolarHBondContact O-N 3.11Å; G143-L146 WeakPolarHBondContact O-CB 3.34Å; G143-L146 PolarHBondContact O-N 3.15Å; A144-L146 PolarHBondContact O-N 3.35Å; L146-F148 VanDerWaalsContact C-N 3.33Å; L146-F148 PolarHBondContact O-N 3.33Å; L146-L149 PolarHBondContact O-N 3.02Å; L146-L150 HydrophobicContact CD1-CD1 4.3Å; L146-L150 HydrophobicContact CG-CD1 4.27Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 2.89Å
147F98.8Very high97.7Very high58 Ų5819.3 Ų19.325%0.2549%0.092SC..Hα-helixtrans-69.6-28.9179.2-76.9-77.3000113.2G143 A144 L150 S151 C192 A195 W199G143-F147 WeakPolarHBondContact O-CD2 3.21Å; G143-F147 PolarHBondContact O-N 3.13Å; A144-F147 PolarHBondContact O-N 3.4Å; F147-L150 HydrophobicContact CD1-CD1 4.34Å; F147-S151 VanDerWaalsContact O-CB 3.3Å; F147-S151 WeakPolarHBondContact O-CB 3.49Å; F147-S151 PolarHBondContact O-N 3.16Å; F147-C192 HydrophobicContact CD1-CB 4.49Å; F147-A195 HydrophobicContact CB-CB 4.27Å; F147-A195 HydrophobicContact CD1-CB 3.6Å; F147-A195 HydrophobicContact CD2-CB 4.38Å; F147-A195 HydrophobicContact CE1-CB 3.99Å; F147-A195 HydrophobicContact CG-CB 3.82Å; F147-W199 AromaticContact CD2-CD1 3.59Å; F147-W199 AromaticContact CD2-NE1 3.51Å; F147-W199 AromaticContact CE2-CD1 3.88Å; F147-W199 AromaticContact CE2-NE1 3.31Å; F147-W199 VanDerWaalsContact CE2-NE1 3.31Å
148F98.8Very high97.6Very high1 Ų119.1 Ų19.10%0.0049%0.09CC..Hα-helixtrans-60.4-51.5171.3-170.8-74.7000110.7A144 A145 L146 S151 L152 S196 V206 V209 P419 I441A144-F148 VanDerWaalsContact O-CB 3.23Å; A144-F148 WeakPolarHBondContact O-CB 3.39Å; A144-F148 PolarHBondContact O-N 3.06Å; A145-F148 WeakPolarHBondContact O-CB 3.06Å; A145-F148 PolarHBondContact O-N 3.03Å; L146-F148 VanDerWaalsContact C-N 3.33Å; L146-F148 PolarHBondContact O-N 3.33Å; F148-S151 PolarHBondContact O-N 3.25Å; F148-L152 PolarHBondContact O-N 3.18Å; F148-S196 PolarHBondContact N-OG 3.03Å; F148-V206 HydrophobicContact CD1-CB 4.26Å; F148-V206 HydrophobicContact CD1-CG2 3.8Å; F148-V206 HydrophobicContact CD2-CB 3.55Å; F148-V206 HydrophobicContact CD2-CG2 4.02Å; F148-V206 HydrophobicContact CE1-CB 4.3Å; F148-V206 HydrophobicContact CE1-CG2 3.94Å; F148-V206 HydrophobicContact CE2-CB 3.61Å; F148-V206 HydrophobicContact CE2-CG2 4.15Å; F148-V206 HydrophobicContact CG-CB 3.88Å; F148-V206 HydrophobicContact CG-CG2 3.82Å; F148-V206 HydrophobicContact CZ-CB 3.99Å; F148-V206 HydrophobicContact CZ-CG2 4.11Å; F148-V206 VanDerWaalsContact O-CG2 3.28Å; F148-V206 WeakPolarHBondContact O-CG2 3.46Å; F148-V209 HydrophobicContact CE1-CG1 4.33Å; F148-V209 HydrophobicContact CZ-CB 4.19Å; F148-V209 HydrophobicContact CZ-CG1 4.39Å; F148-V209 HydrophobicContact CZ-CG2 3.96Å; F148-P419 HydrophobicContact CE2-CG 4.12Å; F148-P419 HydrophobicContact CZ-CG 3.96Å; F148-I441 HydrophobicContact CD1-CG2 4.34Å; F148-I441 HydrophobicContact CD2-CD1 4.11Å; F148-I441 HydrophobicContact CD2-CG2 4.11Å; F148-I441 HydrophobicContact CE1-CG2 4.14Å; F148-I441 HydrophobicContact CE2-CG2 3.89Å; F148-I441 HydrophobicContact CG-CD1 4.49Å; F148-I441 HydrophobicContact CG-CG2 4.35Å; F148-I441 HydrophobicContact CZ-CG2 3.9Å
149L98.7Very high97.4Very high1 Ų119 Ų191%0.0059%0.089CC..Hα-helixtrans-67-39.4179.3-72.3168.9000112.2V98 L101 V102 L105 A145 L146 L152 L153 I444V98-L149 HydrophobicContact CG1-CD1 3.83Å; L101-L149 HydrophobicContact CB-CB 3.93Å; L101-L149 HydrophobicContact CB-CD1 3.78Å; L101-L149 HydrophobicContact CB-CG 4.43Å; L101-L149 HydrophobicContact CD1-CB 3.86Å; V102-L149 HydrophobicContact CG2-CD1 3.57Å; V102-L149 HydrophobicContact CG2-CD2 4.47Å; L105-L149 HydrophobicContact CD2-CD2 3.89Å; A145-L149 WeakPolarHBondContact O-CG 3.39Å; A145-L149 PolarHBondContact O-N 2.86Å; L146-L149 PolarHBondContact O-N 3.02Å; L149-L152 PolarHBondContact O-N 3.32Å; L149-L153 WeakPolarHBondContact O-CB 3.38Å; L149-L153 VanDerWaalsContact O-CG 3.23Å; L149-L153 WeakPolarHBondContact O-CG 3.39Å; L149-L153 PolarHBondContact O-N 3.37Å; L149-I444 HydrophobicContact CD1-CD1 4.18Å; L149-I444 HydrophobicContact CD2-CD1 4.2Å; L149-I444 HydrophobicContact CG-CD1 4.28Å
150L98.6Very high96.9Very high59 Ų5920.3 Ų20.331%0.30910%0.102SC..Hα-helixtrans-60.9-43.4172.9-69.5173.7000111.7L101 L146 F147 L153 C154 C192L101-L150 HydrophobicContact CD1-CD2 3.81Å; L101-L150 HydrophobicContact CD1-CG 3.86Å; L101-L150 HydrophobicContact CD2-CD2 4.38Å; L146-L150 HydrophobicContact CD1-CD1 4.3Å; L146-L150 HydrophobicContact CG-CD1 4.27Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 2.89Å; F147-L150 HydrophobicContact CD1-CD1 4.34Å; L150-L153 PolarHBondContact O-N 3.4Å; L150-C154 WeakPolarHBondContact O-CB 2.96Å; L150-C154 PolarHBondContact O-N 3.26Å; L150-C154 PolarHBondContact O-SG 3.33Å; L150-C192 HydrophobicContact CB-CB 4.4Å
151S98.7Very high96.4Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-60.5-47.2176.5179.70000112F147 F148 C154 Y155 S189F147-S151 VanDerWaalsContact O-CB 3.3Å; F147-S151 WeakPolarHBondContact O-CB 3.49Å; F147-S151 PolarHBondContact O-N 3.16Å; F148-S151 PolarHBondContact O-N 3.25Å; S151-C154 PolarHBondContact O-N 3.35Å; S151-Y155 WeakPolarHBondContact O-CB 3.47Å; S151-Y155 PolarHBondContact O-N 2.82Å; S151-S189 WeakPolarHBondContact CB-O 3.45Å; S151-S189 VanDerWaalsContact O-CB 3.31Å; S151-S189 WeakPolarHBondContact O-CB 3.4Å; S151-S189 PolarHBondContact O-OG 3.33Å; S151-S189 PolarHBondContact OG-O 3.28Å; S151-S189 PolarHBondContact OG-OG 3.18Å; S151-S189 VanDerWaalsContact OG-OG 3.09Å
152L98.3Very high95.8Very high2 Ų222.9 Ų22.91%0.0112%0.115CC..Hα-helixtrans-65.1-40178.517963.6000112.2L105 F148 L149 Y155 A156 V206 V209 Y213 F411L105-L152 HydrophobicContact CD1-CD2 4.15Å; L105-L152 HydrophobicContact CD2-CD2 3.77Å; F148-L152 PolarHBondContact O-N 3.18Å; L149-L152 PolarHBondContact O-N 3.32Å; L152-Y155 PolarHBondContact O-N 3.19Å; L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 2.94Å; L152-V206 HydrophobicContact CB-CG2 4.19Å; L152-V209 HydrophobicContact CD1-CG1 4.29Å; L152-V209 HydrophobicContact CD2-CG1 4.29Å; L152-Y213 HydrophobicContact CD1-CG 4.27Å; L152-F411 HydrophobicContact CD2-CE2 4.38Å; L152-F411 HydrophobicContact CD2-CZ 3.89Å
153L97.3Very high94.6Very high43 Ų4323.8 Ų23.823%0.22512%0.124CC..Hα-helixtrans-68.8-41.7177.5-72.2170.1000111.7L101 L105 L149 L150 Y155 A156 R157L101-L153 HydrophobicContact CB-CD1 4.38Å; L101-L153 HydrophobicContact CD2-CD1 3.85Å; L105-L153 HydrophobicContact CB-CD2 4.47Å; L105-L153 HydrophobicContact CD1-CD2 4.38Å; L149-L153 WeakPolarHBondContact O-CB 3.38Å; L149-L153 VanDerWaalsContact O-CG 3.23Å; L149-L153 WeakPolarHBondContact O-CG 3.39Å; L149-L153 PolarHBondContact O-N 3.37Å; L150-L153 PolarHBondContact O-N 3.4Å; L153-Y155 VanDerWaalsContact C-N 3.3Å; L153-Y155 PolarHBondContact O-N 3.05Å; L153-A156 PolarHBondContact O-N 3.15Å; L153-R157 WeakPolarHBondContact O-CG 3.42Å; L153-R157 PolarHBondContact O-N 3.12Å
154C97.6Very high93.1Very high19 Ų1927.5 Ų27.513%0.12814%0.144CC..Hα-helixtrans-57.2-44.8170.4-75.80000111.1L150 S151 R157 H158 W185L150-C154 WeakPolarHBondContact O-CB 2.96Å; L150-C154 PolarHBondContact O-N 3.26Å; L150-C154 PolarHBondContact O-SG 3.33Å; S151-C154 PolarHBondContact O-N 3.35Å; C154-R157 WeakPolarHBondContact O-CB 3.49Å; C154-R157 PolarHBondContact O-N 3.05Å; C154-H158 PolarHBondContact O-N 2.89Å; C154-W185 HydrophobicContact CB-CE3 4.05Å
155Y97.6Very high91.4Very high0 Ų029.5 Ų29.50%015%0.152CC..Hα-helixtrans-64.2-42.2176.6-167.2-93.3000112.6S151 L152 L153 R157 H158 C159 M186 S210 Y213 D214 L246S151-Y155 WeakPolarHBondContact O-CB 3.47Å; S151-Y155 PolarHBondContact O-N 2.82Å; L152-Y155 PolarHBondContact O-N 3.19Å; L153-Y155 VanDerWaalsContact C-N 3.3Å; L153-Y155 PolarHBondContact O-N 3.05Å; Y155-R157 VanDerWaalsContact C-N 3.27Å; Y155-R157 PolarHBondContact O-N 2.96Å; Y155-H158 WeakPolarHBondContact O-CA 3.47Å; Y155-H158 WeakPolarHBondContact O-CB 3.45Å; Y155-H158 PolarHBondContact O-N 3.19Å; Y155-H158 VanDerWaalsContact O-N 3.07Å; Y155-C159 WeakPolarHBondContact CE1-SG 3.47Å; Y155-C159 PolarHBondContact O-N 3.29Å; Y155-M186 HydrophobicContact CD2-CE 4.48Å; Y155-M186 HydrophobicContact CD2-SD 4.08Å; Y155-M186 HydrophobicContact CE2-CE 3.85Å; Y155-M186 HydrophobicContact CE2-SD 3.97Å; Y155-S210 VanDerWaalsContact CE1-O 3.24Å; Y155-S210 WeakPolarHBondContact CE1-O 3.48Å; Y155-Y213 HydrophobicContact CD1-CD1 4.42Å; Y155-D214 HydrophobicContact CE1-CB 3.91Å; Y155-D214 PolarHBondContact OH-OD2 3.34Å; Y155-L246 HydrophobicContact CD2-CD1 4.34Å; Y155-L246 HydrophobicContact CD2-CD2 4.04Å; Y155-L246 HydrophobicContact CE2-CD1 3.5Å; Y155-L246 HydrophobicContact CE2-CD2 3.81Å; Y155-L246 HydrophobicContact CE2-CG 3.82Å; Y155-L246 WeakPolarHBondContact OH-CD1 3.39Å
156A94.8Very high89.2Confident17 Ų1737.3 Ų37.314%0.1418%0.182CC..Hα-helixtrans-60-36.3174.500000112.4L152 L153 G160 Y213L152-A156 WeakPolarHBondContact O-CB 3.33Å; L152-A156 PolarHBondContact O-N 2.94Å; L153-A156 PolarHBondContact O-N 3.15Å; A156-G160 PolarHBondContact O-N 3.42Å; A156-G160 VanDerWaalsContact O-N 3.14Å; A156-Y213 HydrophobicContact CB-CD1 4.5Å; A156-Y213 HydrophobicContact CB-CE1 3.68Å; A156-Y213 HydrophobicContact CB-CE2 4.42Å
157R93.8Very high87.2Confident171 Ų17141.4 Ų41.465%0.64520%0.196SC*.Hα-helixtrans-68.8-39.7171.4-64.3-58-175.6173.11.6112.5L153 C154 Y155 G160 L161 W185L153-R157 WeakPolarHBondContact O-CG 3.42Å; L153-R157 PolarHBondContact O-N 3.12Å; C154-R157 WeakPolarHBondContact O-CB 3.49Å; C154-R157 PolarHBondContact O-N 3.05Å; Y155-R157 VanDerWaalsContact C-N 3.27Å; Y155-R157 PolarHBondContact O-N 2.96Å; R157-G160 PolarHBondContact O-N 3.21Å; R157-L161 PolarHBondContact O-N 2.93Å; R157-L161 VanDerWaalsContact O-N 3.11Å; R157-W185 HydrophobicContact CB-CB 4.49Å; R157-W185 HydrophobicContact CB-CD2 3.83Å; R157-W185 HydrophobicContact CB-CE3 4.1Å; R157-W185 HydrophobicContact CB-CG 4Å; R157-W185 HydrophobicContact CG-CD2 4.46Å; R157-W185 HydrophobicContact CG-CE3 4.43Å
158H93.8Very high85.1Confident1 Ų139.9 Ų39.91%0.00519%0.194CC..Hα-helixtrans-56.9-49.9171.7169.483000111.2C154 Y155 G160 L161 R162 C182 W185 S242C154-H158 PolarHBondContact O-N 2.89Å; Y155-H158 WeakPolarHBondContact O-CA 3.47Å; Y155-H158 WeakPolarHBondContact O-CB 3.45Å; Y155-H158 PolarHBondContact O-N 3.19Å; Y155-H158 VanDerWaalsContact O-N 3.07Å; H158-G160 PolarHBondContact O-N 2.99Å; H158-L161 PolarHBondContact O-N 3.05Å; H158-R162 VanDerWaalsContact O-CB 3.28Å; H158-R162 WeakPolarHBondContact O-CB 3.49Å; H158-R162 PolarHBondContact O-N 3.08Å; H158-C182 PolarHBondContact ND1-O 3.06Å; H158-W185 HydrophobicContact CB-CB 3.99Å; H158-S242 PolarHBondContact NE2-OG 3.06Å
159C91.7Very high83Confident0 Ų046.9 Ų46.90%023%0.225CC..Hα-helixtrans-55.6-49.8177.3-72.90000112.2Y155 L161 R162 G163 D214 F218Y155-C159 WeakPolarHBondContact CE1-SG 3.47Å; Y155-C159 PolarHBondContact O-N 3.29Å; C159-L161 PolarHBondContact O-N 3.34Å; C159-R162 PolarHBondContact O-N 3.39Å; C159-G163 PolarHBondContact O-N 3.39Å; C159-D214 VanDerWaalsContact SG-CG 3.57Å; C159-D214 PolarHBondContact SG-OD1 3.04Å; C159-F218 HydrophobicContact CB-CB 4.37Å; C159-F218 HydrophobicContact CB-CD1 3.8Å; C159-F218 HydrophobicContact CB-CD2 3.84Å; C159-F218 HydrophobicContact CB-CE1 4.04Å; C159-F218 HydrophobicContact CB-CE2 4.07Å; C159-F218 HydrophobicContact CB-CG 3.71Å; C159-F218 HydrophobicContact CB-CZ 4.17Å; C159-F218 WeakPolarHBondContact O-CE1 3.47Å; C159-F218 WeakPolarHBondContact O-CZ 3.27Å
160G87.8Confident80.8Confident26 Ų2653.3 Ų53.327%0.26826%0.255SS..Hα-helixtrans-54.5-53.7177.900000112.7A156 R157 H158 R162 G163 D164A156-G160 PolarHBondContact O-N 3.42Å; A156-G160 VanDerWaalsContact O-N 3.14Å; R157-G160 PolarHBondContact O-N 3.21Å; H158-G160 PolarHBondContact O-N 2.99Å; G160-R162 VanDerWaalsContact C-N 3.31Å; G160-R162 PolarHBondContact O-N 3.03Å; G160-G163 PolarHBondContact O-N 2.72Å; G160-G163 VanDerWaalsContact O-N 3.16Å; G160-D164 PolarHBondContact O-N 3.41Å
161L86.4Confident78.6Confident44 Ų4458.9 Ų58.923%0.2327%0.272CS..Hα-helixtrans-64.8-33.5178.9-66.3172.5000112.8R157 H158 C159 D164 K165 R181 C182 W185R157-L161 PolarHBondContact O-N 2.93Å; R157-L161 VanDerWaalsContact O-N 3.11Å; H158-L161 PolarHBondContact O-N 3.05Å; C159-L161 PolarHBondContact O-N 3.34Å; L161-D164 PolarHBondContact O-N 3.21Å; L161-K165 WeakPolarHBondContact O-CG 2.84Å; L161-K165 PolarHBondContact O-N 3.31Å; L161-R181 HydrophobicContact CD1-CG 4.27Å; L161-C182 HydrophobicContact CB-CB 3.82Å; L161-C182 HydrophobicContact CD1-CB 4.27Å; L161-W185 VanDerWaalsContact CD1-CD1 3.43Å
162R87Confident76.4Confident14 Ų1470.3 Ų70.35%0.05332%0.315CS..Hα-helixtrans-67-36.3174.8-169.7-170.461.9-165.4-10.1111.6H158 C159 G160 W166 D214 S242H158-R162 VanDerWaalsContact O-CB 3.28Å; H158-R162 WeakPolarHBondContact O-CB 3.49Å; H158-R162 PolarHBondContact O-N 3.08Å; C159-R162 PolarHBondContact O-N 3.39Å; G160-R162 VanDerWaalsContact C-N 3.31Å; G160-R162 PolarHBondContact O-N 3.03Å; R162-W166 PolarHBondContact O-N 3.03Å; R162-D214 IonicContact CZ-OD1 2.67Å; R162-D214 IonicContact CZ-OD2 3.23Å; R162-D214 VanDerWaalsContact CZ-OD2 3.23Å; R162-D214 IonicContact NH1-OD1 3.67Å; R162-D214 IonicContact NH1-OD2 2.74Å; R162-D214 PolarHBondContact NH1-OD2 3.28Å; R162-D214 IonicContact NH2-OD1 2.84Å; R162-D214 PolarHBondContact NH2-OD1 3.23Å; R162-D214 IonicContact NH2-OD2 3.1Å; R162-D214 PolarHBondContact NH2-OD2 3.34Å; R162-S242 PolarHBondContact NH1-OG 3.3Å
163G73.1Confident74.2Confident19 Ų1975.3 Ų75.320%0.19635%0.346CS..Hα-helixtrans-67.9-37.2171.700000113.4C159 G160 W166 R167C159-G163 PolarHBondContact O-N 3.39Å; G160-G163 PolarHBondContact O-N 2.72Å; G160-G163 VanDerWaalsContact O-N 3.16Å; G163-W166 PolarHBondContact O-N 2.88Å; G163-R167 PolarHBondContact O-N 3.13Å
164D66.8Low72.1Confident77 Ų7777.3 Ų77.341%0.41236%0.362SS..Hα-helixtrans-69.6-36.2175.7-69.7-20.8000112.5G160 L161 W166 R167 A168G160-D164 PolarHBondContact O-N 3.41Å; L161-D164 PolarHBondContact O-N 3.21Å; D164-W166 PolarHBondContact O-N 3.35Å; D164-R167 CarbonylContact O-C 3.59Å; D164-R167 PolarHBondContact O-N 2.81Å; D164-R167 IonicContact OD1-CZ 3.36Å; D164-R167 IonicContact OD1-NE 3.86Å; D164-R167 IonicContact OD1-NH2 2.79Å; D164-R167 PolarHBondContact OD1-NH2 3.43Å; D164-A168 WeakPolarHBondContact O-CB 3.47Å; D164-A168 PolarHBondContact O-N 2.94Å
165K61.7Low70Confident43 Ų4378.8 Ų78.819%0.18738%0.381CS..Hα-helixtrans-55.4-46.8171.1-77.7174.9178.8179.40112.5L161 R167 A168 F169 S178 V179 C182L161-K165 WeakPolarHBondContact O-CG 2.84Å; L161-K165 PolarHBondContact O-N 3.31Å; K165-R167 VanDerWaalsContact C-N 3.32Å; K165-R167 PolarHBondContact O-N 3.3Å; K165-A168 PolarHBondContact O-N 2.99Å; K165-F169 WeakPolarHBondContact O-CB 3.39Å; K165-F169 PolarHBondContact O-N 3.39Å; K165-S178 WeakPolarHBondContact CE-O 3.39Å; K165-V179 PolarHBondContact NZ-O 3.4Å; K165-C182 HydrophobicContact CD-CB 4.45Å; K165-C182 VanDerWaalsContact NZ-CB 3.26Å; K165-C182 PolarHBondContact NZ-SG 2.97Å
166W54.1Low67.9Low165 Ų16581.8 Ų81.863%0.62541%0.412SS*.Hα-helixtrans-58.3-47.1178178-105.6000110.9R162 G163 D164 A168 F169 Q170R162-W166 PolarHBondContact O-N 3.03Å; G163-W166 PolarHBondContact O-N 2.88Å; D164-W166 PolarHBondContact O-N 3.35Å; W166-A168 VanDerWaalsContact C-N 3.28Å; W166-A168 PolarHBondContact O-N 3.14Å; W166-F169 PolarHBondContact O-N 3.47Å; W166-Q170 WeakPolarHBondContact O-CB 3.36Å; W166-Q170 PolarHBondContact O-N 3.22Å; W166-Q170 VanDerWaalsContact O-N 3.1Å
167R55.5Low66.4Low109 Ų10983.4 Ų83.441%0.41143%0.43SS..Hα-helixtrans-69.8-18.3178.5-64.4-172.4-72.7-178.3-1.5114.4G163 D164 K165 R171G163-R167 PolarHBondContact O-N 3.13Å; D164-R167 CarbonylContact O-C 3.59Å; D164-R167 PolarHBondContact O-N 2.81Å; D164-R167 IonicContact OD1-CZ 3.36Å; D164-R167 IonicContact OD1-NE 3.86Å; D164-R167 IonicContact OD1-NH2 2.79Å; D164-R167 PolarHBondContact OD1-NH2 3.43Å; K165-R167 VanDerWaalsContact C-N 3.32Å; K165-R167 PolarHBondContact O-N 3.3Å; R167-R171 PolarHBondContact O-NE 2.64Å; R167-R171 PolarHBondContact O-NH2 2.99Å
168A55.5Low65.2Low27 Ų2777.9 Ų77.922%0.22342%0.418CS..Hα-helixtrans-92.7-36.5175.900000112.5D164 K165 W166 Q170 R171 R172 T173D164-A168 WeakPolarHBondContact O-CB 3.47Å; D164-A168 PolarHBondContact O-N 2.94Å; K165-A168 PolarHBondContact O-N 2.99Å; W166-A168 VanDerWaalsContact C-N 3.28Å; W166-A168 PolarHBondContact O-N 3.14Å; A168-Q170 VanDerWaalsContact C-N 3.33Å; A168-R171 CarbonylContact O-C 3.58Å; A168-R171 WeakPolarHBondContact O-CA 3.26Å; A168-R171 PolarHBondContact O-N 2.91Å; A168-R172 PolarHBondContact O-N 3.11Å; A168-R172 VanDerWaalsContact O-N 3.08Å; A168-T173 PolarHBondContact O-N 3.43Å
169F54.5Low64.3Low148 Ų14881.5 Ų81.565%0.64944%0.44SS*.Hα-helixtrans-60.6-44.4171.6179-101000110.8K165 W166 R171 R172 C174K165-F169 WeakPolarHBondContact O-CB 3.39Å; K165-F169 PolarHBondContact O-N 3.39Å; W166-F169 PolarHBondContact O-N 3.47Å; F169-R171 PolarHBondContact O-N 3.29Å; F169-R171 VanDerWaalsContact O-N 3.1Å; F169-R172 PolarHBondContact O-N 3.02Å; F169-R172 VanDerWaalsContact O-N 3.08Å; F169-C174 VanDerWaalsContact CA-SG 3.55Å
170Q52.8Low63.8Low136 Ų13684.8 Ų84.864%0.63647%0.467SS*.THydrogen-bonded Turntrans-62.2-15.6173.1-146.2171.45.300113.6W166 A168W166-Q170 WeakPolarHBondContact O-CB 3.36Å; W166-Q170 PolarHBondContact O-N 3.22Å; W166-Q170 VanDerWaalsContact O-N 3.1Å; A168-Q170 VanDerWaalsContact C-N 3.33Å
171R52Low63.7Low176 Ų17691.4 Ų91.466%0.66448%0.484SS*.THydrogen-bonded Turntrans-108.96.5176.6-79.3-175.7-82.7176.6-7.8114.3R167 A168 F169 T173R167-R171 PolarHBondContact O-NE 2.64Å; R167-R171 PolarHBondContact O-NH2 2.99Å; A168-R171 CarbonylContact O-C 3.58Å; A168-R171 WeakPolarHBondContact O-CA 3.26Å; A168-R171 PolarHBondContact O-N 2.91Å; F169-R171 PolarHBondContact O-N 3.29Å; F169-R171 VanDerWaalsContact O-N 3.1Å; R171-T173 PolarHBondContact O-N 2.96Å
172R51.8Low63.8Low239 Ų23989.3 Ų89.390%0.90247%0.473SS*.THydrogen-bonded Turntrans53.728.1179.2-64.1-176.7175.5169.8-1.7115.8A168 F169A168-R172 PolarHBondContact O-N 3.11Å; A168-R172 VanDerWaalsContact O-N 3.08Å; F169-R172 PolarHBondContact O-N 3.02Å; F169-R172 VanDerWaalsContact O-N 3.08Å
173T53.6Low63.9Low107 Ų10792.8 Ų92.866%0.65649%0.486SS*.  trans-112.237.9-17751.40000113.7A168 R171 G175A168-T173 PolarHBondContact O-N 3.43Å; R171-T173 PolarHBondContact O-N 2.96Å; T173-G175 PolarHBondContact O-N 3.43Å
174C51.6Low64.9Low85 Ų8593.7 Ų93.757%0.57450%0.496SS*.  trans-89107.3-171.2-68.10000113.8F169F169-C174 VanDerWaalsContact CA-SG 3.55Å
175G53.6Low66.3Low51 Ų5195 Ų9553%0.52650%0.495SS..  trans-90139.4163.900000112.9T173 G177 S178T173-G175 PolarHBondContact O-N 3.43Å; G175-G177 VanDerWaalsContact C-N 3.3Å; G175-G177 PolarHBondContact O-N 2.95Å; G175-G177 VanDerWaalsContact O-N 3.16Å; G175-S178 PolarHBondContact O-N 3.42Å
176G55Low67.9Low62 Ų6292.9 Ų92.964%0.63949%0.486SS*.THydrogen-bonded Turntrans-56.4-33-172.100000115.8S178 V179G176-S178 PolarHBondContact O-N 3.39Å; G176-S178 VanDerWaalsContact O-N 3.1Å; G176-V179 WeakPolarHBondContact O-CB 3.34Å; G176-V179 PolarHBondContact O-N 3.38Å
177G62.5Low70Confident52 Ų5289.6 Ų89.654%0.53648%0.48SS..Hα-helixtrans-60.9-20.6-18000000115.4G175 V179 R181G175-G177 VanDerWaalsContact C-N 3.3Å; G175-G177 PolarHBondContact O-N 2.95Å; G175-G177 VanDerWaalsContact O-N 3.16Å; G177-V179 VanDerWaalsContact C-N 3.33Å; G177-R181 PolarHBondContact O-N 3.34Å
178S68.8Low72Confident54 Ų5485.5 Ų85.538%0.37847%0.472SS..Hα-helixtrans-71.2-28.8173.4-173.60000112.5K165 G175 G176 C182K165-S178 WeakPolarHBondContact CE-O 3.39Å; G175-S178 PolarHBondContact O-N 3.42Å; G176-S178 PolarHBondContact O-N 3.39Å; G176-S178 VanDerWaalsContact O-N 3.1Å; S178-C182 PolarHBondContact O-N 3.1Å
179V74.7Confident74Confident77 Ų7784.2 Ų84.247%0.46746%0.461SS..Hα-helixtrans-71.1-52-179.3-179.80000111.2K165 G176 G177 R181 C182 W183K165-V179 PolarHBondContact NZ-O 3.4Å; G176-V179 WeakPolarHBondContact O-CB 3.34Å; G176-V179 PolarHBondContact O-N 3.38Å; G177-V179 VanDerWaalsContact C-N 3.33Å; V179-R181 PolarHBondContact O-N 2.87Å; V179-C182 PolarHBondContact O-N 3.4Å; V179-W183 PolarHBondContact O-N 2.9Å
180A82.1Confident76.1Confident70 Ų7077.8 Ų77.858%0.57943%0.434SS*.Hα-helixtrans-56.8-48.2177.600000111.8C182 W183 G184A180-C182 VanDerWaalsContact C-N 3.33Å; A180-C182 PolarHBondContact O-N 3.47Å; A180-W183 PolarHBondContact O-N 3.35Å; A180-G184 PolarHBondContact O-N 2.96Å
181R85.5Confident78.3Confident164 Ų16479.9 Ų79.962%0.61944%0.436SS*.Hα-helixtrans-57.5-42.7-179.6-170.8-178.9-62.7158.51.7113.2L161 G177 V179 G184 W185L161-R181 HydrophobicContact CD1-CG 4.27Å; G177-R181 PolarHBondContact O-N 3.34Å; V179-R181 PolarHBondContact O-N 2.87Å; R181-G184 PolarHBondContact O-N 3.4Å; R181-W185 PolarHBondContact O-N 3.21Å
182C87.6Confident80.5Confident1 Ų172.6 Ų72.61%0.00741%0.411CS..Hα-helixtrans-69.6-36.2179.5163.80000112.6H158 L161 K165 S178 V179 A180 M186H158-C182 PolarHBondContact ND1-O 3.06Å; L161-C182 HydrophobicContact CB-CB 3.82Å; L161-C182 HydrophobicContact CD1-CB 4.27Å; K165-C182 HydrophobicContact CD-CB 4.45Å; K165-C182 VanDerWaalsContact NZ-CB 3.26Å; K165-C182 PolarHBondContact NZ-SG 2.97Å; S178-C182 PolarHBondContact O-N 3.1Å; V179-C182 PolarHBondContact O-N 3.4Å; A180-C182 VanDerWaalsContact C-N 3.33Å; A180-C182 PolarHBondContact O-N 3.47Å; C182-M186 PolarHBondContact O-N 3.02Å
183W89.8Confident82.8Confident86 Ų8661.2 Ų61.233%0.32637%0.368SS..Hα-helixtrans-74.8-29.6172.3-79.8112.2000112.8V179 A180 W185 M186 L187 L241 T245V179-W183 PolarHBondContact O-N 2.9Å; A180-W183 PolarHBondContact O-N 3.35Å; W183-W185 VanDerWaalsContact C-N 3.3Å; W183-W185 PolarHBondContact O-N 3Å; W183-M186 HydrophobicContact CE3-CB 3.8Å; W183-M186 HydrophobicContact CE3-CG 3.91Å; W183-M186 HydrophobicContact CZ3-CB 4.21Å; W183-M186 HydrophobicContact CZ3-CE 4.22Å; W183-M186 HydrophobicContact CZ3-CG 3.85Å; W183-M186 WeakPolarHBondContact O-CA 3.41Å; W183-M186 WeakPolarHBondContact O-CB 3.28Å; W183-M186 PolarHBondContact O-N 3.42Å; W183-L187 WeakPolarHBondContact O-CG 3.45Å; W183-L187 PolarHBondContact O-N 2.92Å; W183-L241 HydrophobicContact CH2-CD2 4.07Å; W183-L241 HydrophobicContact CH2-CG 4.03Å; W183-L241 HydrophobicContact CZ2-CD2 3.74Å; W183-L241 HydrophobicContact CZ2-CG 4.22Å; W183-T245 HydrophobicContact CZ3-CG2 4.5Å
184G94.2Very high84.9Confident39 Ų3956.6 Ų56.640%0.40234%0.341SS..Hα-helixtrans-56.9-41169.100000112.9A180 R181 L187 G188A180-G184 PolarHBondContact O-N 2.96Å; R181-G184 PolarHBondContact O-N 3.4Å; G184-L187 PolarHBondContact O-N 3.28Å; G184-G188 PolarHBondContact O-N 3.43Å
185W95.4Very high87.1Confident103 Ų10353.3 Ų53.339%0.3932%0.32SS..Hα-helixtrans-68.8-30.3173.1-73.1109.4000113.9C154 R157 H158 L161 R181 W183 S189C154-W185 HydrophobicContact CB-CE3 4.05Å; R157-W185 HydrophobicContact CB-CB 4.49Å; R157-W185 HydrophobicContact CB-CD2 3.83Å; R157-W185 HydrophobicContact CB-CE3 4.1Å; R157-W185 HydrophobicContact CB-CG 4Å; R157-W185 HydrophobicContact CG-CD2 4.46Å; R157-W185 HydrophobicContact CG-CE3 4.43Å; H158-W185 HydrophobicContact CB-CB 3.99Å; L161-W185 VanDerWaalsContact CD1-CD1 3.43Å; R181-W185 PolarHBondContact O-N 3.21Å; W183-W185 VanDerWaalsContact C-N 3.3Å; W183-W185 PolarHBondContact O-N 3Å; W185-S189 PolarHBondContact O-N 3.25Å; W185-S189 VanDerWaalsContact O-N 3.1Å
186M96.2Very high89.3Confident0 Ų050.9 Ų50.90%030%0.295CS..Hα-helixtrans-65.7-52.8169.4177.267.686.700109.9Y155 C182 W183 G188 S189 L190 T245 L246Y155-M186 HydrophobicContact CD2-CE 4.48Å; Y155-M186 HydrophobicContact CD2-SD 4.08Å; Y155-M186 HydrophobicContact CE2-CE 3.85Å; Y155-M186 HydrophobicContact CE2-SD 3.97Å; C182-M186 PolarHBondContact O-N 3.02Å; W183-M186 HydrophobicContact CE3-CB 3.8Å; W183-M186 HydrophobicContact CE3-CG 3.91Å; W183-M186 HydrophobicContact CZ3-CB 4.21Å; W183-M186 HydrophobicContact CZ3-CE 4.22Å; W183-M186 HydrophobicContact CZ3-CG 3.85Å; W183-M186 WeakPolarHBondContact O-CA 3.41Å; W183-M186 WeakPolarHBondContact O-CB 3.28Å; W183-M186 PolarHBondContact O-N 3.42Å; M186-G188 VanDerWaalsContact C-N 3.29Å; M186-G188 PolarHBondContact O-N 3.5Å; M186-S189 WeakPolarHBondContact O-CA 3.4Å; M186-S189 VanDerWaalsContact O-CB 3.29Å; M186-S189 WeakPolarHBondContact O-CB 3.22Å; M186-S189 PolarHBondContact O-N 3.08Å; M186-L190 HydrophobicContact CG-CD1 4.24Å; M186-L190 HydrophobicContact CG-CG 4.29Å; M186-L190 WeakPolarHBondContact O-CG 3.42Å; M186-L190 PolarHBondContact O-N 3.2Å; M186-L190 HydrophobicContact SD-CD2 4.22Å; M186-L190 HydrophobicContact SD-CG 4.35Å; M186-T245 HydrophobicContact CG-CG2 4.26Å; M186-T245 HydrophobicContact SD-CG2 4.4Å; M186-L246 HydrophobicContact SD-CD2 4.46Å
187L97.1Very high91.3Very high95 Ų9548.3 Ų48.350%0.49727%0.267SS..Hα-helixtrans-55.9-44.8178.9-68.6171000111.3W183 G184 S189 L190 W191W183-L187 WeakPolarHBondContact O-CG 3.45Å; W183-L187 PolarHBondContact O-N 2.92Å; G184-L187 PolarHBondContact O-N 3.28Å; L187-S189 VanDerWaalsContact C-N 3.29Å; L187-S189 PolarHBondContact O-N 3.3Å; L187-L190 PolarHBondContact O-N 3.25Å; L187-L190 VanDerWaalsContact O-N 3.16Å; L187-W191 WeakPolarHBondContact O-CB 3.49Å; L187-W191 PolarHBondContact O-N 3.25Å
188G98.1Very high93Very high23 Ų2348.1 Ų48.124%0.23725%0.253CS..Hα-helixtrans-58.8-37.1173.700000113.5G184 M186 C192G184-G188 PolarHBondContact O-N 3.43Å; M186-G188 VanDerWaalsContact C-N 3.29Å; M186-G188 PolarHBondContact O-N 3.5Å; G188-C192 WeakPolarHBondContact O-CB 3.49Å; G188-C192 PolarHBondContact O-N 3.1Å; G188-C192 PolarHBondContact O-SG 2.81Å
189S98.4Very high94.3Very high0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-65.5-46.3172.2174.10000112.2S151 W185 M186 L187 C192 A193S151-S189 WeakPolarHBondContact CB-O 3.45Å; S151-S189 VanDerWaalsContact O-CB 3.31Å; S151-S189 WeakPolarHBondContact O-CB 3.4Å; S151-S189 PolarHBondContact O-OG 3.33Å; S151-S189 PolarHBondContact OG-O 3.28Å; S151-S189 PolarHBondContact OG-OG 3.18Å; S151-S189 VanDerWaalsContact OG-OG 3.09Å; W185-S189 PolarHBondContact O-N 3.25Å; W185-S189 VanDerWaalsContact O-N 3.1Å; M186-S189 WeakPolarHBondContact O-CA 3.4Å; M186-S189 VanDerWaalsContact O-CB 3.29Å; M186-S189 WeakPolarHBondContact O-CB 3.22Å; M186-S189 PolarHBondContact O-N 3.08Å; L187-S189 VanDerWaalsContact C-N 3.29Å; L187-S189 PolarHBondContact O-N 3.3Å; S189-C192 PolarHBondContact O-N 3.48Å; S189-A193 WeakPolarHBondContact O-CB 3.38Å; S189-A193 PolarHBondContact O-N 2.96Å
190L98.6Very high95.3Very high14 Ų1443.3 Ų43.37%0.07322%0.218CC..Hα-helixtrans-63.2-42.6179-59.3-177.6000112.2M186 L187 A193 A194 L207 T245 L246 W249M186-L190 HydrophobicContact CG-CD1 4.24Å; M186-L190 HydrophobicContact CG-CG 4.29Å; M186-L190 WeakPolarHBondContact O-CG 3.42Å; M186-L190 PolarHBondContact O-N 3.2Å; M186-L190 HydrophobicContact SD-CD2 4.22Å; M186-L190 HydrophobicContact SD-CG 4.35Å; L187-L190 PolarHBondContact O-N 3.25Å; L187-L190 VanDerWaalsContact O-N 3.16Å; L190-A193 PolarHBondContact O-N 3.42Å; L190-A194 PolarHBondContact O-N 3.05Å; L190-L207 HydrophobicContact CD2-CD2 4.13Å; L190-T245 HydrophobicContact CD1-CG2 3.82Å; L190-L246 HydrophobicContact CD2-CD2 4.06Å; L190-W249 HydrophobicContact CB-CD2 4.33Å; L190-W249 HydrophobicContact CB-CG 4.19Å; L190-W249 HydrophobicContact CD1-CG 4.32Å; L190-W249 HydrophobicContact CD2-CB 3.92Å; L190-W249 HydrophobicContact CD2-CG 3.83Å; L190-W249 HydrophobicContact CG-CG 4.31Å; L190-W249 PolarHBondContact O-NE1 2.66Å
191W98.3Very high95.8Very high180 Ų18042.6 Ų42.668%0.68220%0.203SC*.Hα-helixtrans-62.9-45.4174.1-81.5113000112.2L187 A193 A194 A195L187-W191 WeakPolarHBondContact O-CB 3.49Å; L187-W191 PolarHBondContact O-N 3.25Å; W191-A193 VanDerWaalsContact C-N 3.31Å; W191-A193 PolarHBondContact O-N 3.37Å; W191-A194 WeakPolarHBondContact O-CB 3.14Å; W191-A194 PolarHBondContact O-N 3.3Å; W191-A195 PolarHBondContact O-N 3.3Å
192C98.6Very high96.1Very high22 Ų2235.1 Ų35.115%0.14918%0.175CC..Hα-helixtrans-66-32.8175.8-67.60000112.2F147 L150 G188 S189 A195 S196F147-C192 HydrophobicContact CD1-CB 4.49Å; L150-C192 HydrophobicContact CB-CB 4.4Å; G188-C192 WeakPolarHBondContact O-CB 3.49Å; G188-C192 PolarHBondContact O-N 3.1Å; G188-C192 PolarHBondContact O-SG 2.81Å; S189-C192 PolarHBondContact O-N 3.48Å; C192-A195 PolarHBondContact O-N 2.98Å; C192-S196 WeakPolarHBondContact O-CB 3.39Å; C192-S196 PolarHBondContact O-N 3Å
193A98.7Very high96.5Very high0 Ų035.1 Ų35.10%018%0.175CC..Hα-helixtrans-66.7-41.6174.100000112S189 L190 W191 S196 M197 V206 L207S189-A193 WeakPolarHBondContact O-CB 3.38Å; S189-A193 PolarHBondContact O-N 2.96Å; L190-A193 PolarHBondContact O-N 3.42Å; W191-A193 VanDerWaalsContact C-N 3.31Å; W191-A193 PolarHBondContact O-N 3.37Å; A193-S196 PolarHBondContact O-N 3.23Å; A193-M197 PolarHBondContact O-N 3.05Å; A193-V206 HydrophobicContact CB-CG1 3.44Å; A193-V206 VanDerWaalsContact CB-CG1 3.44Å; A193-L207 HydrophobicContact CB-CD2 3.65Å; A193-L207 HydrophobicContact CB-CG 4.05Å
194A98.4Very high96.9Very high11 Ų1131.9 Ų31.99%0.09117%0.165CC..Hα-helixtrans-61.1-49172.700000111.1L190 W191 S196 M197 L198 W249 L253L190-A194 PolarHBondContact O-N 3.05Å; W191-A194 WeakPolarHBondContact O-CB 3.14Å; W191-A194 PolarHBondContact O-N 3.3Å; A194-S196 PolarHBondContact O-N 3.29Å; A194-M197 PolarHBondContact O-N 3.16Å; A194-L198 WeakPolarHBondContact O-CG 3.35Å; A194-L198 PolarHBondContact O-N 2.93Å; A194-W249 HydrophobicContact CB-CZ2 4.22Å; A194-L253 HydrophobicContact CB-CD1 4.24Å; A194-L253 HydrophobicContact CB-CD2 3.84Å
195A98.4Very high97.1Very high16 Ų1631 Ų3113%0.13215%0.151CC..Hα-helixtrans-58.2-45.8176.100000112L68 F147 W191 C192 M197 L198 W199L68-A195 HydrophobicContact CD1-CB 3.98Å; F147-A195 HydrophobicContact CB-CB 4.27Å; F147-A195 HydrophobicContact CD1-CB 3.6Å; F147-A195 HydrophobicContact CD2-CB 4.38Å; F147-A195 HydrophobicContact CE1-CB 3.99Å; F147-A195 HydrophobicContact CG-CB 3.82Å; W191-A195 PolarHBondContact O-N 3.3Å; C192-A195 PolarHBondContact O-N 2.98Å; A195-M197 VanDerWaalsContact C-N 3.31Å; A195-M197 PolarHBondContact O-N 3.43Å; A195-L198 CarbonylContact O-C 3.47Å; A195-L198 PolarHBondContact O-N 3.45Å; A195-L198 VanDerWaalsContact O-N 3.08Å; A195-W199 VanDerWaalsContact O-CD1 3.31Å; A195-W199 PolarHBondContact O-N 2.98Å
196S98.5Very high97.2Very high0 Ų026 Ų260%013%0.133CC..Hα-helixtrans-56.5-43.7176.2-172.30000111.9A144 F148 C192 A193 A194 L198 W199 K200 G203A144-S196 PolarHBondContact O-OG 3.13Å; F148-S196 PolarHBondContact N-OG 3.03Å; C192-S196 WeakPolarHBondContact O-CB 3.39Å; C192-S196 PolarHBondContact O-N 3Å; A193-S196 PolarHBondContact O-N 3.23Å; A194-S196 PolarHBondContact O-N 3.29Å; S196-L198 PolarHBondContact O-N 2.92Å; S196-W199 PolarHBondContact O-N 2.98Å; S196-K200 PolarHBondContact O-N 3.25Å; S196-K200 VanDerWaalsContact O-O 3.07Å; S196-G203 WeakPolarHBondContact OG-CA 3.4Å
197M97.5Very high97.3Very high8 Ų826.5 Ų26.54%0.03914%0.135CC..Hα-helixtrans-65.4-34175.7-171.7-173.170.800113.5A193 A194 A195 W199 K200 V204 L253 R257A193-M197 PolarHBondContact O-N 3.05Å; A194-M197 PolarHBondContact O-N 3.16Å; A195-M197 VanDerWaalsContact C-N 3.31Å; A195-M197 PolarHBondContact O-N 3.43Å; M197-W199 VanDerWaalsContact C-N 3.31Å; M197-K200 WeakPolarHBondContact CA-O 3.35Å; M197-K200 CarbonylContact O-C 3.6Å; M197-K200 VanDerWaalsContact O-C 3.29Å; M197-V204 HydrophobicContact CB-CB 4.22Å; M197-V204 HydrophobicContact CG-CB 4.05Å; M197-V204 HydrophobicContact SD-CB 3.97Å; M197-V204 HydrophobicContact SD-CG2 4.1Å; M197-L253 HydrophobicContact CE-CB 3.88Å; M197-L253 HydrophobicContact CE-CD2 3.94Å; M197-L253 HydrophobicContact CE-CG 4.34Å; M197-L253 HydrophobicContact SD-CB 3.93Å; M197-R257 HydrophobicContact CE-CB 4.3Å; M197-R257 PolarHBondContact O-NH1 2.75Å; M197-R257 HydrophobicContact SD-CB 4.45Å
198L97.3Very high97.4Very high48 Ų4824.1 Ų24.125%0.25113%0.129SC..Hα-helixtrans-79.2-12.2177.1-65.3176.2000113.5F65 R66 P67 L68 A194 A195 S196F65-L198 HydrophobicContact CD1-CD2 4.38Å; F65-L198 HydrophobicContact CE1-CD2 3.83Å; R66-L198 CarbonylContact C-O 3.19Å; R66-L198 VanDerWaalsContact CA-O 3.25Å; R66-L198 WeakPolarHBondContact CA-O 3.03Å; P67-L198 WeakPolarHBondContact CD-O 3.39Å; P67-L198 HydrophobicContact CG-CB 4.2Å; P67-L198 HydrophobicContact CG-CD2 3.84Å; P67-L198 HydrophobicContact CG-CG 4.46Å; L68-L198 HydrophobicContact CB-CB 4.4Å; L68-L198 HydrophobicContact CD1-CB 3.77Å; L68-L198 HydrophobicContact CD1-CD1 4.31Å; L68-L198 HydrophobicContact CG-CB 3.8Å; L68-L198 HydrophobicContact CG-CD1 4.41Å; L68-L198 PolarHBondContact N-O 2.9Å; A194-L198 WeakPolarHBondContact O-CG 3.35Å; A194-L198 PolarHBondContact O-N 2.93Å; A195-L198 CarbonylContact O-C 3.47Å; A195-L198 PolarHBondContact O-N 3.45Å; A195-L198 VanDerWaalsContact O-N 3.08Å; S196-L198 PolarHBondContact O-N 2.92Å
199W97.5Very high97.4Very high24 Ų2423 Ų239%0.09112%0.118CC..Hα-helixtrans-84.1-48.1163.4-85.191.2000111.2R66 L68 C69 S72 R139 A144 F147 A195 S196 M197R66-W199 WeakPolarHBondContact CD-O 3.4Å; R66-W199 WeakPolarHBondContact CG-O 3.47Å; L68-W199 HydrophobicContact CB-CD2 4.4Å; L68-W199 HydrophobicContact CB-CG 4.23Å; C69-W199 HydrophobicContact CB-CD2 4.42Å; C69-W199 HydrophobicContact CB-CE3 3.64Å; C69-W199 HydrophobicContact CB-CZ3 3.9Å; C69-W199 VanDerWaalsContact SG-CZ3 3.59Å; S72-W199 WeakPolarHBondContact OG-CH2 3.43Å; R139-W199 HydrophobicContact CG-CH2 4.21Å; R139-W199 HydrophobicContact CG-CZ3 3.75Å; R139-W199 WeakPolarHBondContact O-CZ3 3.38Å; A144-W199 HydrophobicContact CB-CB 3.87Å; F147-W199 AromaticContact CD2-CD1 3.59Å; F147-W199 AromaticContact CD2-NE1 3.51Å; F147-W199 AromaticContact CE2-CD1 3.88Å; F147-W199 AromaticContact CE2-NE1 3.31Å; F147-W199 VanDerWaalsContact CE2-NE1 3.31Å; A195-W199 VanDerWaalsContact O-CD1 3.31Å; A195-W199 PolarHBondContact O-N 2.98Å; S196-W199 PolarHBondContact O-N 2.98Å; M197-W199 VanDerWaalsContact C-N 3.31Å
200K95.7Very high97.4Very high5 Ų523 Ų232%0.02212%0.118CC..  trans-154.4139.9174.6-164.4170.8-177.1176.90111.9D141 A144 S196 M197 Q202 G203D141-K200 WeakPolarHBondContact OD1-CD 3.48Å; D141-K200 WeakPolarHBondContact OD1-CE 3.47Å; D141-K200 IonicContact OD1-NZ 3.36Å; D141-K200 PolarHBondContact OD1-NZ 3.04Å; D141-K200 IonicContact OD2-NZ 2.67Å; D141-K200 PolarHBondContact OD2-NZ 2.87Å; A144-K200 HydrophobicContact CB-CB 3.68Å; S196-K200 PolarHBondContact O-N 3.25Å; S196-K200 VanDerWaalsContact O-O 3.07Å; M197-K200 WeakPolarHBondContact CA-O 3.35Å; M197-K200 CarbonylContact O-C 3.6Å; M197-K200 VanDerWaalsContact O-C 3.29Å; K200-Q202 VanDerWaalsContact C-N 3.25Å; K200-Q202 PolarHBondContact O-N 3Å; K200-G203 PolarHBondContact O-N 2.99Å
201E91.6Very high97.3Very high56 Ų5623.4 Ų23.426%0.26212%0.123SC..G310 helixtrans-42-42.6-179.849.1-74.9169.400115.4R66 G203 V204 R257R66-E201 IonicContact CZ-OE1 3.16Å; R66-E201 IonicContact CZ-OE2 2.69Å; R66-E201 IonicContact NE-OE1 3.74Å; R66-E201 IonicContact NE-OE2 3.75Å; R66-E201 PolarHBondContact NE-OE2 3.31Å; R66-E201 IonicContact NH2-OE1 2.59Å; R66-E201 PolarHBondContact NH2-OE1 2.58Å; R66-E201 IonicContact NH2-OE2 3.22Å; R66-E201 PolarHBondContact NH2-OE2 2.8Å; E201-G203 PolarHBondContact O-N 2.79Å; E201-V204 WeakPolarHBondContact O-CG1 3.49Å; E201-R257 IonicContact OE2-NH2 3.99Å
202Q92.7Very high97.2Very high7 Ų716 Ų163%0.03310%0.098CC..G310 helixtrans-66.3-17.8-179.4-69.2177.1-18.200113.9K200 V204 T205 P419 P422K200-Q202 VanDerWaalsContact C-N 3.25Å; K200-Q202 PolarHBondContact O-N 3Å; Q202-V204 PolarHBondContact O-N 2.71Å; Q202-V204 VanDerWaalsContact O-N 3.17Å; Q202-T205 WeakPolarHBondContact O-CB 3.33Å; Q202-T205 WeakPolarHBondContact O-CG2 3.25Å; Q202-T205 PolarHBondContact O-N 3.31Å; Q202-T205 VanDerWaalsContact O-N 3.08Å; Q202-T205 PolarHBondContact O-OG1 3.47Å; Q202-P419 PolarHBondContact NE2-O 2.95Å; Q202-P422 HydrophobicContact CG-CB 4.37Å; Q202-P422 HydrophobicContact CG-CG 4.42Å
203G96.4Very high97.1Very high0 Ų016 Ų160%010%0.095CC..G310 helixtrans-57.5-30.2-178.800000114.6S196 K200 E201 T205 V206S196-G203 WeakPolarHBondContact OG-CA 3.4Å; K200-G203 PolarHBondContact O-N 2.99Å; E201-G203 PolarHBondContact O-N 2.79Å; G203-T205 PolarHBondContact O-N 3.3Å; G203-T205 VanDerWaalsContact O-N 3.14Å; G203-V206 WeakPolarHBondContact O-CB 3.4Å; G203-V206 VanDerWaalsContact O-CG1 3.31Å; G203-V206 WeakPolarHBondContact O-CG1 3.35Å; G203-V206 PolarHBondContact O-N 3.12Å
204V97Very high96.9Very high19 Ų1916 Ų1612%0.11510%0.095CC..G310 helixtrans-60.2-25177.6730000113.2M197 E201 Q202 V206 L207 L253 L254M197-V204 HydrophobicContact CB-CB 4.22Å; M197-V204 HydrophobicContact CG-CB 4.05Å; M197-V204 HydrophobicContact SD-CB 3.97Å; M197-V204 HydrophobicContact SD-CG2 4.1Å; E201-V204 WeakPolarHBondContact O-CG1 3.49Å; Q202-V204 PolarHBondContact O-N 2.71Å; Q202-V204 VanDerWaalsContact O-N 3.17Å; V204-V206 PolarHBondContact O-N 3.3Å; V204-V206 VanDerWaalsContact O-N 3.09Å; V204-L207 HydrophobicContact CG2-CD1 4.21Å; V204-L207 PolarHBondContact O-N 3.23Å; V204-L253 HydrophobicContact CG2-CB 4.31Å; V204-L253 HydrophobicContact CG2-CD1 4.19Å; V204-L254 HydrophobicContact CG1-CD2 4.15Å; V204-L254 HydrophobicContact CG2-CD2 4.48Å; V204-L254 HydrophobicContact CG2-CG 4.44Å
205T97.7Very high96.6Very high19 Ų1916.1 Ų16.112%0.1179%0.094CC..G310 helixtrans-65.3-13.1-179.765.40000113.5Q202 G203 L207 A208 V209 P419 P422Q202-T205 WeakPolarHBondContact O-CB 3.33Å; Q202-T205 WeakPolarHBondContact O-CG2 3.25Å; Q202-T205 PolarHBondContact O-N 3.31Å; Q202-T205 VanDerWaalsContact O-N 3.08Å; Q202-T205 PolarHBondContact O-OG1 3.47Å; G203-T205 PolarHBondContact O-N 3.3Å; G203-T205 VanDerWaalsContact O-N 3.14Å; T205-L207 PolarHBondContact O-N 3.03Å; T205-A208 PolarHBondContact O-N 2.95Å; T205-V209 PolarHBondContact O-N 2.91Å; T205-P419 WeakPolarHBondContact OG1-CA 3.45Å; T205-P419 WeakPolarHBondContact OG1-CB 3.41Å; T205-P422 HydrophobicContact CG2-CG 4.46Å
206V98.5Very high96.2Very high0 Ų016.7 Ų16.70%09%0.093CC..Hα-helixtrans-57-28.8172.4750000113.1F148 L152 A193 G203 V204 V209 S210F148-V206 HydrophobicContact CD1-CB 4.26Å; F148-V206 HydrophobicContact CD1-CG2 3.8Å; F148-V206 HydrophobicContact CD2-CB 3.55Å; F148-V206 HydrophobicContact CD2-CG2 4.02Å; F148-V206 HydrophobicContact CE1-CB 4.3Å; F148-V206 HydrophobicContact CE1-CG2 3.94Å; F148-V206 HydrophobicContact CE2-CB 3.61Å; F148-V206 HydrophobicContact CE2-CG2 4.15Å; F148-V206 HydrophobicContact CG-CB 3.88Å; F148-V206 HydrophobicContact CG-CG2 3.82Å; F148-V206 HydrophobicContact CZ-CB 3.99Å; F148-V206 HydrophobicContact CZ-CG2 4.11Å; F148-V206 VanDerWaalsContact O-CG2 3.28Å; F148-V206 WeakPolarHBondContact O-CG2 3.46Å; L152-V206 HydrophobicContact CB-CG2 4.19Å; A193-V206 HydrophobicContact CB-CG1 3.44Å; A193-V206 VanDerWaalsContact CB-CG1 3.44Å; G203-V206 WeakPolarHBondContact O-CB 3.4Å; G203-V206 VanDerWaalsContact O-CG1 3.31Å; G203-V206 WeakPolarHBondContact O-CG1 3.35Å; G203-V206 PolarHBondContact O-N 3.12Å; V204-V206 PolarHBondContact O-N 3.3Å; V204-V206 VanDerWaalsContact O-N 3.09Å; V206-V209 PolarHBondContact O-N 2.9Å; V206-S210 VanDerWaalsContact O-CB 3.24Å; V206-S210 WeakPolarHBondContact O-CB 3.47Å; V206-S210 PolarHBondContact O-N 3.21Å; V206-S210 PolarHBondContact O-OG 3.29Å
207L98.5Very high95.9Very high10 Ų1017 Ų175%0.05210%0.095CC..Hα-helixtrans-66.3-41.3177.4-60.1172.9000110.8L190 A193 V204 T205 S210 A211 L246 G250 L253L190-L207 HydrophobicContact CD2-CD2 4.13Å; A193-L207 HydrophobicContact CB-CD2 3.65Å; A193-L207 HydrophobicContact CB-CG 4.05Å; V204-L207 HydrophobicContact CG2-CD1 4.21Å; V204-L207 PolarHBondContact O-N 3.23Å; T205-L207 PolarHBondContact O-N 3.03Å; L207-S210 PolarHBondContact O-N 3.04Å; L207-A211 PolarHBondContact O-N 3.16Å; L207-A211 VanDerWaalsContact O-N 3.09Å; L207-L246 HydrophobicContact CB-CD2 4.43Å; L207-L246 HydrophobicContact CD2-CD2 3.57Å; L207-G250 VanDerWaalsContact CD1-CA 3.48Å; L207-L253 HydrophobicContact CD1-CD1 4.38Å
208A98.1Very high95.5Very high44 Ų4419.7 Ų19.736%0.36411%0.107SC..Hα-helixtrans-70.4-40.5175.100000111.9T205 S210 A211 V212 L418T205-A208 PolarHBondContact O-N 2.95Å; A208-S210 VanDerWaalsContact C-N 3.31Å; A208-S210 PolarHBondContact O-N 2.91Å; A208-A211 WeakPolarHBondContact O-CB 3.47Å; A208-A211 PolarHBondContact O-N 3.1Å; A208-V212 VanDerWaalsContact O-CG2 3.32Å; A208-V212 WeakPolarHBondContact O-CG2 3.22Å; A208-V212 PolarHBondContact O-N 2.9Å; A208-L418 HydrophobicContact CB-CD1 3.95Å
209V98.3Very high95Very high0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-63.1-36.7173.5169.30000111.8F148 L152 T205 V206 V212 Y213 F411 V415 L418F148-V209 HydrophobicContact CE1-CG1 4.33Å; F148-V209 HydrophobicContact CZ-CB 4.19Å; F148-V209 HydrophobicContact CZ-CG1 4.39Å; F148-V209 HydrophobicContact CZ-CG2 3.96Å; L152-V209 HydrophobicContact CD1-CG1 4.29Å; L152-V209 HydrophobicContact CD2-CG1 4.29Å; T205-V209 PolarHBondContact O-N 2.91Å; V206-V209 PolarHBondContact O-N 2.9Å; V209-V212 PolarHBondContact O-N 3.26Å; V209-Y213 WeakPolarHBondContact O-CB 3.36Å; V209-Y213 PolarHBondContact O-N 2.67Å; V209-F411 HydrophobicContact CG1-CE2 3.91Å; V209-F411 HydrophobicContact CG1-CZ 4.39Å; V209-V415 HydrophobicContact CG1-CG2 3.7Å; V209-L418 HydrophobicContact CG2-CB 4.13Å; V209-L418 HydrophobicContact CG2-CD1 3.9Å
210S98.3Very high94.5Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-65.8-38.7174.9-63.60000111.9Y155 V206 L207 A208 Y213 D214Y155-S210 VanDerWaalsContact CE1-O 3.24Å; Y155-S210 WeakPolarHBondContact CE1-O 3.48Å; V206-S210 VanDerWaalsContact O-CB 3.24Å; V206-S210 WeakPolarHBondContact O-CB 3.47Å; V206-S210 PolarHBondContact O-N 3.21Å; V206-S210 PolarHBondContact O-OG 3.29Å; L207-S210 PolarHBondContact O-N 3.04Å; A208-S210 VanDerWaalsContact C-N 3.31Å; A208-S210 PolarHBondContact O-N 2.91Å; S210-Y213 WeakPolarHBondContact O-CB 3.47Å; S210-Y213 PolarHBondContact O-N 3.44Å; S210-D214 PolarHBondContact O-N 3.32Å
211A97.1Very high94Very high22 Ų2223.5 Ų23.518%0.18212%0.124CC..Hα-helixtrans-64.2-41.2171.700000112.6L207 A208 D214 L215 L243 L246L207-A211 PolarHBondContact O-N 3.16Å; L207-A211 VanDerWaalsContact O-N 3.09Å; A208-A211 WeakPolarHBondContact O-CB 3.47Å; A208-A211 PolarHBondContact O-N 3.1Å; A211-D214 PolarHBondContact O-N 3.44Å; A211-L215 WeakPolarHBondContact O-CB 3.43Å; A211-L215 WeakPolarHBondContact O-CG 3.44Å; A211-L215 PolarHBondContact O-N 2.98Å; A211-L243 HydrophobicContact CB-CD2 3.53Å; A211-L246 HydrophobicContact CB-CD1 4.25Å
212V96Very high93.5Very high25 Ų2527.6 Ų27.615%0.15214%0.137CC..Hα-helixtrans-62.5-43.9173.8174.60000110.8A208 V209 D214 F216 V410 F411 L418A208-V212 VanDerWaalsContact O-CG2 3.32Å; A208-V212 WeakPolarHBondContact O-CG2 3.22Å; A208-V212 PolarHBondContact O-N 2.9Å; V209-V212 PolarHBondContact O-N 3.26Å; V212-D214 PolarHBondContact O-N 3.47Å; V212-F216 HydrophobicContact CG1-CD2 3.98Å; V212-F216 WeakPolarHBondContact O-CB 3.37Å; V212-F216 WeakPolarHBondContact O-CD2 3.43Å; V212-F216 PolarHBondContact O-N 3.13Å; V212-V410 HydrophobicContact CG1-CG1 4.27Å; V212-F411 HydrophobicContact CG1-CD2 4.43Å; V212-L418 HydrophobicContact CG2-CD1 3.86Å
213Y96.4Very high92.9Very high22 Ų2229.3 Ų29.39%0.08615%0.148CC..Iπ-helixtrans-58-46.8173.7177.9-87.8000111.5L109 L152 Y155 A156 V209 S210 V217 F218 F411L109-Y213 HydrophobicContact CD2-CE2 4.28Å; L152-Y213 HydrophobicContact CD1-CG 4.27Å; Y155-Y213 HydrophobicContact CD1-CD1 4.42Å; A156-Y213 HydrophobicContact CB-CD1 4.5Å; A156-Y213 HydrophobicContact CB-CE1 3.68Å; A156-Y213 HydrophobicContact CB-CE2 4.42Å; V209-Y213 WeakPolarHBondContact O-CB 3.36Å; V209-Y213 PolarHBondContact O-N 2.67Å; S210-Y213 WeakPolarHBondContact O-CB 3.47Å; S210-Y213 PolarHBondContact O-N 3.44Å; Y213-V217 HydrophobicContact CD2-CB 3.83Å; Y213-V217 HydrophobicContact CD2-CG1 4.01Å; Y213-V217 HydrophobicContact CD2-CG2 4Å; Y213-V217 HydrophobicContact CE2-CB 4Å; Y213-V217 HydrophobicContact CE2-CG1 3.69Å; Y213-V217 HydrophobicContact CG-CB 4.3Å; Y213-V217 WeakPolarHBondContact O-CA 3.36Å; Y213-V217 VanDerWaalsContact O-CB 3.27Å; Y213-V217 WeakPolarHBondContact O-CB 3.38Å; Y213-V217 PolarHBondContact O-N 3.01Å; Y213-F218 HydrophobicContact CE1-CB 4.11Å; Y213-F218 PolarHBondContact O-N 3.5Å; Y213-F411 HydrophobicContact CD2-CD2 4.32Å; Y213-F411 HydrophobicContact CD2-CE2 4.05Å; Y213-F411 HydrophobicContact CG-CE2 4.47Å
214D94.6Very high92.2Very high0 Ų038.9 Ų38.90%018%0.184CC..Iπ-helixtrans-61.1-54-179.8-154.15.9000111.5Y155 C159 R162 S210 A211 V212 Q219Y155-D214 HydrophobicContact CE1-CB 3.91Å; Y155-D214 PolarHBondContact OH-OD2 3.34Å; C159-D214 VanDerWaalsContact SG-CG 3.57Å; C159-D214 PolarHBondContact SG-OD1 3.04Å; R162-D214 IonicContact CZ-OD1 2.67Å; R162-D214 IonicContact CZ-OD2 3.23Å; R162-D214 VanDerWaalsContact CZ-OD2 3.23Å; R162-D214 IonicContact NH1-OD1 3.67Å; R162-D214 IonicContact NH1-OD2 2.74Å; R162-D214 PolarHBondContact NH1-OD2 3.28Å; R162-D214 IonicContact NH2-OD1 2.84Å; R162-D214 PolarHBondContact NH2-OD1 3.23Å; R162-D214 IonicContact NH2-OD2 3.1Å; R162-D214 PolarHBondContact NH2-OD2 3.34Å; S210-D214 PolarHBondContact O-N 3.32Å; A211-D214 PolarHBondContact O-N 3.44Å; V212-D214 PolarHBondContact O-N 3.47Å; D214-Q219 VanDerWaalsContact O-CB 3.28Å; D214-Q219 WeakPolarHBondContact O-CB 3.37Å; D214-Q219 WeakPolarHBondContact O-CG 3.42Å; D214-Q219 PolarHBondContact O-N 3.23Å
215L91.8Very high91.5Very high13 Ų1341.5 Ų41.57%0.06820%0.195CC..Iπ-helixtrans-65.6-46.3-172.6-69.1170.4000112.2A211 K220 L221 A226 L229 L243A211-L215 WeakPolarHBondContact O-CB 3.43Å; A211-L215 WeakPolarHBondContact O-CG 3.44Å; A211-L215 PolarHBondContact O-N 2.98Å; L215-K220 PolarHBondContact O-N 3.16Å; L215-L221 HydrophobicContact CD2-CD1 3.87Å; L215-L221 WeakPolarHBondContact O-CB 3.46Å; L215-L221 PolarHBondContact O-N 3.29Å; L215-A226 HydrophobicContact CD2-CB 4.32Å; L215-L229 HydrophobicContact CD2-CD2 4.04Å; L215-L243 HydrophobicContact CD2-CD1 4Å; L215-L243 HydrophobicContact CG-CD1 4.39Å
216F91.4Very high90.8Very high28 Ų2840.8 Ų40.812%0.12319%0.191CC..Iπ-helixtrans-102.3-35.8-168.5-60.6-73.3000113.6V212 K220 L221 V223 A226 S407 V410V212-F216 HydrophobicContact CG1-CD2 3.98Å; V212-F216 WeakPolarHBondContact O-CB 3.37Å; V212-F216 WeakPolarHBondContact O-CD2 3.43Å; V212-F216 PolarHBondContact O-N 3.13Å; F216-K220 WeakPolarHBondContact O-CA 3.46Å; F216-L221 WeakPolarHBondContact CD1-O 3.11Å; F216-V223 HydrophobicContact CE1-CG2 4.04Å; F216-V223 HydrophobicContact CZ-CG2 4.42Å; F216-A226 HydrophobicContact CE1-CB 4.42Å; F216-A226 HydrophobicContact CZ-CB 4.25Å; F216-S407 WeakPolarHBondContact O-CB 3.16Å; F216-S407 PolarHBondContact O-OG 2.91Å; F216-V410 HydrophobicContact CB-CB 4.47Å; F216-V410 HydrophobicContact CB-CG1 4.13Å; F216-V410 HydrophobicContact CD1-CG1 4.15Å; F216-V410 HydrophobicContact CD2-CG1 3.66Å; F216-V410 HydrophobicContact CE2-CG1 4.08Å; F216-V410 HydrophobicContact CG-CB 4.44Å; F216-V410 HydrophobicContact CG-CG1 3.7Å; F216-V410 HydrophobicContact CZ-CG1 4.49Å
217V91.2Very high90Very high6 Ų645.2 Ų45.24%0.03621%0.214CC..Iπ-helixtrans-88.9-50-178.4-173.90000111.2L109 Y213 K220 P403 F411L109-V217 HydrophobicContact CD2-CG1 3.6Å; L109-V217 HydrophobicContact CD2-CG2 4.43Å; Y213-V217 HydrophobicContact CD2-CB 3.83Å; Y213-V217 HydrophobicContact CD2-CG1 4.01Å; Y213-V217 HydrophobicContact CD2-CG2 4Å; Y213-V217 HydrophobicContact CE2-CB 4Å; Y213-V217 HydrophobicContact CE2-CG1 3.69Å; Y213-V217 HydrophobicContact CG-CB 4.3Å; Y213-V217 WeakPolarHBondContact O-CA 3.36Å; Y213-V217 VanDerWaalsContact O-CB 3.27Å; Y213-V217 WeakPolarHBondContact O-CB 3.38Å; Y213-V217 PolarHBondContact O-N 3.01Å; V217-K220 WeakPolarHBondContact O-CG 3.46Å; V217-P403 HydrophobicContact CG1-CB 4Å; V217-P403 HydrophobicContact CG1-CG 3.52Å; V217-F411 HydrophobicContact CG2-CB 3.54Å; V217-F411 HydrophobicContact CG2-CD2 3.92Å; V217-F411 HydrophobicContact CG2-CG 3.73Å
218F89.9Confident89.3Confident65 Ų6547.9 Ų47.929%0.28523%0.228SC..Iπ-helixtrans-83.8-54.6-174.3-174.3-97.6000113C159 Y213 K220C159-F218 HydrophobicContact CB-CB 4.37Å; C159-F218 HydrophobicContact CB-CD1 3.8Å; C159-F218 HydrophobicContact CB-CD2 3.84Å; C159-F218 HydrophobicContact CB-CE1 4.04Å; C159-F218 HydrophobicContact CB-CE2 4.07Å; C159-F218 HydrophobicContact CB-CG 3.71Å; C159-F218 HydrophobicContact CB-CZ 4.17Å; C159-F218 WeakPolarHBondContact O-CE1 3.47Å; C159-F218 WeakPolarHBondContact O-CZ 3.27Å; Y213-F218 HydrophobicContact CE1-CB 4.11Å; Y213-F218 PolarHBondContact O-N 3.5Å; F218-K220 VanDerWaalsContact C-N 3.29Å; F218-K220 PolarHBondContact O-N 3.29Å
219Q86.3Confident88.6Confident54 Ų5446.1 Ų46.125%0.25221%0.212SC..SBendtrans-77.8-13.6178.3-60.2-67.8-32.300113D214 L221 V239D214-Q219 VanDerWaalsContact O-CB 3.28Å; D214-Q219 WeakPolarHBondContact O-CB 3.37Å; D214-Q219 WeakPolarHBondContact O-CG 3.42Å; D214-Q219 PolarHBondContact O-N 3.23Å; Q219-L221 HydrophobicContact CB-CD1 4.07Å; Q219-L221 HydrophobicContact CB-CD2 4.39Å; Q219-L221 HydrophobicContact CB-CG 3.74Å; Q219-L221 PolarHBondContact O-N 2.81Å; Q219-V239 HydrophobicContact CG-CG2 4.14Å
220K87.3Confident87.9Confident81 Ų8150.7 Ų50.735%0.35224%0.236SC..  trans52.336.2179.2-55.9-175.3-176.8-170.30113.3L215 F216 V217 F218 S401 L402L215-K220 PolarHBondContact O-N 3.16Å; F216-K220 WeakPolarHBondContact O-CA 3.46Å; V217-K220 WeakPolarHBondContact O-CG 3.46Å; F218-K220 VanDerWaalsContact C-N 3.29Å; F218-K220 PolarHBondContact O-N 3.29Å; K220-S401 PolarHBondContact NZ-O 3.34Å; K220-S401 PolarHBondContact NZ-OG 2.99Å; K220-L402 PolarHBondContact NZ-O 3.46Å
221L84.6Confident87.1Confident23 Ų2356.4 Ų56.412%0.1227%0.266CS..  trans-76.6143.1-177.2-60.6175.4000112L215 F216 Q219 Q225 A226 L229L215-L221 HydrophobicContact CD2-CD1 3.87Å; L215-L221 WeakPolarHBondContact O-CB 3.46Å; L215-L221 PolarHBondContact O-N 3.29Å; F216-L221 WeakPolarHBondContact CD1-O 3.11Å; Q219-L221 HydrophobicContact CB-CD1 4.07Å; Q219-L221 HydrophobicContact CB-CD2 4.39Å; Q219-L221 HydrophobicContact CB-CG 3.74Å; Q219-L221 PolarHBondContact O-N 2.81Å; L221-Q225 HydrophobicContact CB-CB 4.36Å; L221-Q225 HydrophobicContact CD2-CB 4.3Å; L221-A226 HydrophobicContact CB-CB 4.38Å; L221-A226 HydrophobicContact CD1-CB 4.44Å; L221-L229 HydrophobicContact CD1-CD2 3.81Å
222R81.4Confident85.9Confident142 Ų14257.6 Ų57.654%0.53628%0.281SS..  trans-73.5152.9163.5-60.8-177.9179.9-179.4-1.7110R224 Q225 A226R222-R224 VanDerWaalsContact C-N 3.33Å; R222-R224 PolarHBondContact O-N 3.37Å; R222-Q225 HydrophobicContact CB-CG 4.3Å; R222-Q225 VanDerWaalsContact N-OE1 3.14Å; R222-Q225 CarbonylContact O-C 3.48Å; R222-Q225 WeakPolarHBondContact O-CA 3.48Å; R222-Q225 WeakPolarHBondContact O-CB 3.23Å; R222-Q225 PolarHBondContact O-N 2.96Å; R222-A226 PolarHBondContact O-N 3.33Å
223V80.9Confident84.6Confident43 Ų4364.2 Ų64.226%0.26131%0.308SS..Hα-helixtrans-49.7-48.8179.7179.30000112.8F216 Q225 A226 L227 F343F216-V223 HydrophobicContact CE1-CG2 4.04Å; F216-V223 HydrophobicContact CZ-CG2 4.42Å; V223-Q225 PolarHBondContact O-N 3.01Å; V223-A226 PolarHBondContact O-N 3.01Å; V223-A226 VanDerWaalsContact O-N 3.13Å; V223-L227 HydrophobicContact CG1-CD1 3.89Å; V223-L227 HydrophobicContact CG1-CG 4.23Å; V223-L227 WeakPolarHBondContact O-CG 3.44Å; V223-L227 PolarHBondContact O-N 2.79Å; V223-F343 HydrophobicContact CG2-CB 3.7Å; V223-F343 HydrophobicContact CG2-CD1 3.11Å; V223-F343 HydrophobicContact CG2-CD2 4.02Å; V223-F343 HydrophobicContact CG2-CE1 3.61Å; V223-F343 HydrophobicContact CG2-CE2 4.43Å; V223-F343 HydrophobicContact CG2-CG 3.35Å; V223-F343 HydrophobicContact CG2-CZ 4.25Å
224R80.1Confident83.2Confident201 Ų20168.1 Ų68.176%0.75833%0.325SS*.Hα-helixtrans-57.9-34.3176.8-172.6177.1178.9-172.60.3112.8R222 L228R222-R224 VanDerWaalsContact C-N 3.33Å; R222-R224 PolarHBondContact O-N 3.37Å; R224-L228 HydrophobicContact CG-CD1 4.24Å; R224-L228 WeakPolarHBondContact O-CB 3.5Å; R224-L228 WeakPolarHBondContact O-CD1 3.41Å; R224-L228 WeakPolarHBondContact O-CG 3.45Å; R224-L228 PolarHBondContact O-N 3.49Å
225Q83.3Confident81.8Confident73 Ų7378.3 Ų78.334%0.34137%0.369SS..Hα-helixtrans-77.4-36.1177.7-61.8172.1-22.900112.1L221 R222 V223 L229L221-Q225 HydrophobicContact CB-CB 4.36Å; L221-Q225 HydrophobicContact CD2-CB 4.3Å; R222-Q225 HydrophobicContact CB-CG 4.3Å; R222-Q225 VanDerWaalsContact N-OE1 3.14Å; R222-Q225 CarbonylContact O-C 3.48Å; R222-Q225 WeakPolarHBondContact O-CA 3.48Å; R222-Q225 WeakPolarHBondContact O-CB 3.23Å; R222-Q225 PolarHBondContact O-N 2.96Å; V223-Q225 PolarHBondContact O-N 3.01Å; Q225-L229 WeakPolarHBondContact O-CB 3.23Å; Q225-L229 PolarHBondContact O-N 3.38Å
226A82.9Confident81.1Confident4 Ų480.2 Ų80.23%0.03338%0.379CS..Hα-helixtrans-64.6-45.6172.300000111L215 F216 L221 R222 V223 L228 L229 L230L215-A226 HydrophobicContact CD2-CB 4.32Å; F216-A226 HydrophobicContact CE1-CB 4.42Å; F216-A226 HydrophobicContact CZ-CB 4.25Å; L221-A226 HydrophobicContact CB-CB 4.38Å; L221-A226 HydrophobicContact CD1-CB 4.44Å; R222-A226 PolarHBondContact O-N 3.33Å; V223-A226 PolarHBondContact O-N 3.01Å; V223-A226 VanDerWaalsContact O-N 3.13Å; A226-L228 PolarHBondContact O-N 3.39Å; A226-L229 WeakPolarHBondContact O-CB 3.45Å; A226-L229 PolarHBondContact O-N 3.24Å; A226-L230 VanDerWaalsContact O-CG 3.31Å; A226-L230 WeakPolarHBondContact O-CG 3.43Å; A226-L230 PolarHBondContact O-N 3.16Å
227L82.4Confident80.7Confident94 Ų9485.4 Ų85.449%0.49241%0.408SS..Hα-helixtrans-60-45.1173.7-69.1172.4000112.1V223 L229 L230 L231V223-L227 HydrophobicContact CG1-CD1 3.89Å; V223-L227 HydrophobicContact CG1-CG 4.23Å; V223-L227 WeakPolarHBondContact O-CG 3.44Å; V223-L227 PolarHBondContact O-N 2.79Å; L227-L229 VanDerWaalsContact C-N 3.28Å; L227-L229 PolarHBondContact O-N 3.42Å; L227-L230 PolarHBondContact O-N 3.47Å; L227-L231 VanDerWaalsContact O-CB 3.32Å; L227-L231 WeakPolarHBondContact O-CB 3.36Å; L227-L231 WeakPolarHBondContact O-CD1 3.3Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.47Å; L227-L231 PolarHBondContact O-N 3.16Å
228L83.3Confident80.3Confident66 Ų6687.5 Ų87.535%0.34642%0.423SS..Hα-helixtrans-65-28.7176-74.2168.8000113.5R224 A226 K233 K234R224-L228 HydrophobicContact CG-CD1 4.24Å; R224-L228 WeakPolarHBondContact O-CB 3.5Å; R224-L228 WeakPolarHBondContact O-CD1 3.41Å; R224-L228 WeakPolarHBondContact O-CG 3.45Å; R224-L228 PolarHBondContact O-N 3.49Å; A226-L228 PolarHBondContact O-N 3.39Å; L228-K233 HydrophobicContact CD2-CB 4.07Å; L228-K233 HydrophobicContact CD2-CD 4.04Å; L228-K233 CarbonylContact O-C 3.36Å; L228-K233 WeakPolarHBondContact O-CA 3.41Å; L228-K233 PolarHBondContact O-N 3.18Å; L228-K234 PolarHBondContact O-N 3.26Å; L228-K234 VanDerWaalsContact O-N 3.11Å
229L83.9Confident80.3Confident6 Ų684.4 Ų84.43%0.03141%0.409CS..Hα-helixtrans-72.5-46.8172.7174.761.9000111.3L215 L221 Q225 A226 L227 L231 G232 K234 N236 V239L215-L229 HydrophobicContact CD2-CD2 4.04Å; L221-L229 HydrophobicContact CD1-CD2 3.81Å; Q225-L229 WeakPolarHBondContact O-CB 3.23Å; Q225-L229 PolarHBondContact O-N 3.38Å; A226-L229 WeakPolarHBondContact O-CB 3.45Å; A226-L229 PolarHBondContact O-N 3.24Å; L227-L229 VanDerWaalsContact C-N 3.28Å; L227-L229 PolarHBondContact O-N 3.42Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.39Å; L229-G232 PolarHBondContact O-N 2.95Å; L229-G232 VanDerWaalsContact O-N 3.09Å; L229-K234 VanDerWaalsContact CD1-O 3.26Å; L229-K234 WeakPolarHBondContact CD1-O 3.42Å; L229-N236 HydrophobicContact CD1-CB 3.82Å; L229-V239 HydrophobicContact CD2-CB 4.41Å; L229-V239 HydrophobicContact CD2-CG1 3.9Å
230L81.8Confident80.5Confident96 Ų9684.5 Ų84.550%0.50341%0.411SS..Hα-helixtrans-64.4-35.4178.3-68.6167.6000112.3A226 L227 G232 L243A226-L230 VanDerWaalsContact O-CG 3.31Å; A226-L230 WeakPolarHBondContact O-CG 3.43Å; A226-L230 PolarHBondContact O-N 3.16Å; L227-L230 PolarHBondContact O-N 3.47Å; L230-G232 PolarHBondContact O-N 3.31Å; L230-L243 HydrophobicContact CD2-CD1 4.12Å
231L83Confident80.7Confident120 Ų12084.8 Ų84.863%0.62842%0.416SS*.THydrogen-bonded Turntrans-75.88.3173.6-69.8167000113.8L227 L229 K233L227-L231 VanDerWaalsContact O-CB 3.32Å; L227-L231 WeakPolarHBondContact O-CB 3.36Å; L227-L231 WeakPolarHBondContact O-CD1 3.3Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.47Å; L227-L231 PolarHBondContact O-N 3.16Å; L229-L231 VanDerWaalsContact C-N 3.32Å; L229-L231 PolarHBondContact O-N 3.39Å; L231-K233 HydrophobicContact CB-CG 4.29Å; L231-K233 PolarHBondContact O-N 3.08Å
232G70.9Confident81.1Confident48 Ų4883.8 Ų83.850%0.49541%0.411SS..THydrogen-bonded Turntrans69-3.6-179.500000115.6L229 L230 K234L229-G232 PolarHBondContact O-N 2.95Å; L229-G232 VanDerWaalsContact O-N 3.09Å; L230-G232 PolarHBondContact O-N 3.31Å; G232-K234 PolarHBondContact O-N 2.97Å
233K69.4Low81.7Confident164 Ų16477.8 Ų77.871%0.71339%0.389SS*.SBendtrans-72.1-11.9-177.2-60.7-169179.2-174.40113.6L228 L231L228-K233 HydrophobicContact CD2-CB 4.07Å; L228-K233 HydrophobicContact CD2-CD 4.04Å; L228-K233 CarbonylContact O-C 3.36Å; L228-K233 WeakPolarHBondContact O-CA 3.41Å; L228-K233 PolarHBondContact O-N 3.18Å; L231-K233 HydrophobicContact CB-CG 4.29Å; L231-K233 PolarHBondContact O-N 3.08Å
234K66.8Low82.4Confident103 Ų10378.6 Ų78.645%0.44840%0.396SS..SBendtrans-125.2115.5173.2-167178.7-176.6-176.20110.2L228 L229 G232 N236L228-K234 PolarHBondContact O-N 3.26Å; L228-K234 VanDerWaalsContact O-N 3.11Å; L229-K234 VanDerWaalsContact CD1-O 3.26Å; L229-K234 WeakPolarHBondContact CD1-O 3.42Å; G232-K234 PolarHBondContact O-N 2.97Å; K234-N236 PolarHBondContact O-N 3.39Å
235K64.5Low83.2Confident215 Ų21570.8 Ų70.894%0.93537%0.371SS*.  trans-74.492.1-177.7-68.4-176.1177.8-178.90112.1
236N78.8Confident83.9Confident52 Ų5267.6 Ų67.628%0.27836%0.356SS..  trans-124.579.2157.3-172.7-11.8000109.7L229 K234 S238 V239 L240L229-N236 HydrophobicContact CD1-CB 3.82Å; K234-N236 PolarHBondContact O-N 3.39Å; N236-S238 PolarHBondContact O-N 2.95Å; N236-S238 PolarHBondContact OD1-OG 3.4Å; N236-V239 VanDerWaalsContact ND2-CG2 3.28Å; N236-V239 WeakPolarHBondContact ND2-CG2 3.49Å; N236-V239 PolarHBondContact O-N 3.37Å; N236-V239 PolarHBondContact OD1-N 2.84Å; N236-L240 PolarHBondContact O-N 2.88Å; N236-L240 VanDerWaalsContact O-N 3.09Å
237L81.4Confident84.6Confident138 Ų13870.2 Ų70.272%0.72338%0.378SS*.Hα-helixtrans-57.2-33.8-174.9-174.562.6000112.7L241L237-L241 WeakPolarHBondContact O-CB 3.36Å; L237-L241 PolarHBondContact O-N 3.19Å
238S84.3Confident85.3Confident50 Ų5069.4 Ų69.435%0.3538%0.38SS..Hα-helixtrans-67.7-35.3-179.274.50000113.6N236 S242N236-S238 PolarHBondContact O-N 2.95Å; N236-S238 PolarHBondContact OD1-OG 3.4Å; S238-S242 PolarHBondContact O-N 2.93Å; S238-S242 PolarHBondContact O-OG 3.49Å
239V89.3Confident86Confident0 Ų069.5 Ų69.50%038%0.375CS..Hα-helixtrans-78.1-45.4176.2175.20000109.9Q219 L229 N236 L241 S242 L243Q219-V239 HydrophobicContact CG-CG2 4.14Å; L229-V239 HydrophobicContact CD2-CB 4.41Å; L229-V239 HydrophobicContact CD2-CG1 3.9Å; N236-V239 VanDerWaalsContact ND2-CG2 3.28Å; N236-V239 WeakPolarHBondContact ND2-CG2 3.49Å; N236-V239 PolarHBondContact O-N 3.37Å; N236-V239 PolarHBondContact OD1-N 2.84Å; V239-L241 VanDerWaalsContact C-N 3.29Å; V239-L241 PolarHBondContact O-N 2.88Å; V239-S242 PolarHBondContact O-N 3.35Å; V239-L243 HydrophobicContact CG1-CD1 3.86Å; V239-L243 HydrophobicContact CG1-CG 4.27Å; V239-L243 WeakPolarHBondContact O-CG 3.38Å; V239-L243 PolarHBondContact O-N 3.16Å
240L89.9Confident86.7Confident55 Ų5569.8 Ų69.829%0.28838%0.38SS..Hα-helixtrans-57.1-44.4177.4-17563.1000111.2N236 S242 L243 C244N236-L240 PolarHBondContact O-N 2.88Å; N236-L240 VanDerWaalsContact O-N 3.09Å; L240-S242 PolarHBondContact O-N 3.47Å; L240-L243 PolarHBondContact O-N 3.27Å; L240-C244 WeakPolarHBondContact O-CB 3.33Å; L240-C244 PolarHBondContact O-N 3.17Å; L240-C244 PolarHBondContact O-SG 3.04Å
241L91.1Very high87.4Confident88 Ų8869.6 Ų69.646%0.46138%0.382SS..Hα-helixtrans-58.7-48.4176.3-177.961.2000112W183 L237 V239 L243 C244 T245W183-L241 HydrophobicContact CH2-CD2 4.07Å; W183-L241 HydrophobicContact CH2-CG 4.03Å; W183-L241 HydrophobicContact CZ2-CD2 3.74Å; W183-L241 HydrophobicContact CZ2-CG 4.22Å; L237-L241 WeakPolarHBondContact O-CB 3.36Å; L237-L241 PolarHBondContact O-N 3.19Å; V239-L241 VanDerWaalsContact C-N 3.29Å; V239-L241 PolarHBondContact O-N 2.88Å; L241-L243 VanDerWaalsContact C-N 3.32Å; L241-L243 PolarHBondContact O-N 3.3Å; L241-C244 PolarHBondContact O-N 2.94Å; L241-T245 PolarHBondContact O-N 3.38Å; L241-T245 PolarHBondContact O-OG1 3.02Å
242S93.2Very high88.1Confident1 Ų167.9 Ų67.91%0.00737%0.373CS..Hα-helixtrans-60.1-39.3176-61.40000112.8H158 R162 S238 V239 L240 T245 L246H158-S242 PolarHBondContact NE2-OG 3.06Å; R162-S242 PolarHBondContact NH1-OG 3.3Å; S238-S242 PolarHBondContact O-N 2.93Å; S238-S242 PolarHBondContact O-OG 3.49Å; V239-S242 PolarHBondContact O-N 3.35Å; L240-S242 PolarHBondContact O-N 3.47Å; S242-T245 PolarHBondContact O-N 3.34Å; S242-L246 WeakPolarHBondContact O-CG 3.46Å; S242-L246 PolarHBondContact O-N 2.92Å; S242-L246 VanDerWaalsContact O-N 3.08Å
243L95.2Very high89.4Confident16 Ų1666.3 Ų66.38%0.08435%0.353CS..Hα-helixtrans-70-41.1178.1-67.1173.8000111.7A211 L215 L230 V239 L240 L241 T245 L246 A247A211-L243 HydrophobicContact CB-CD2 3.53Å; L215-L243 HydrophobicContact CD2-CD1 4Å; L215-L243 HydrophobicContact CG-CD1 4.39Å; L230-L243 HydrophobicContact CD2-CD1 4.12Å; V239-L243 HydrophobicContact CG1-CD1 3.86Å; V239-L243 HydrophobicContact CG1-CG 4.27Å; V239-L243 WeakPolarHBondContact O-CG 3.38Å; V239-L243 PolarHBondContact O-N 3.16Å; L240-L243 PolarHBondContact O-N 3.27Å; L241-L243 VanDerWaalsContact C-N 3.32Å; L241-L243 PolarHBondContact O-N 3.3Å; L243-T245 VanDerWaalsContact C-N 3.35Å; L243-L246 HydrophobicContact CD2-CD1 4.47Å; L243-L246 PolarHBondContact O-N 3.06Å; L243-A247 WeakPolarHBondContact O-CB 3.44Å; L243-A247 PolarHBondContact O-N 3.25Å
244C95.3Very high90.6Very high61 Ų6162.5 Ų62.541%0.41234%0.34SS..Hα-helixtrans-61.1-42.4171.8-69.10000111.2L240 L241 L246 A247 C248L240-C244 WeakPolarHBondContact O-CB 3.33Å; L240-C244 PolarHBondContact O-N 3.17Å; L240-C244 PolarHBondContact O-SG 3.04Å; L241-C244 PolarHBondContact O-N 2.94Å; C244-L246 PolarHBondContact O-N 3.49Å; C244-A247 PolarHBondContact O-N 3.43Å; C244-C248 WeakPolarHBondContact O-CB 3.5Å; C244-C248 PolarHBondContact O-N 2.87Å; C244-C248 PolarHBondContact O-SG 3.2Å
245T96.8Very high91.9Very high37 Ų3760.9 Ų60.923%0.22734%0.342CS..Hα-helixtrans-59-46.5174.7-540000111.9W183 M186 L190 L241 S242 L243 W249W183-T245 HydrophobicContact CZ3-CG2 4.5Å; M186-T245 HydrophobicContact CG-CG2 4.26Å; M186-T245 HydrophobicContact SD-CG2 4.4Å; L190-T245 HydrophobicContact CD1-CG2 3.82Å; L241-T245 PolarHBondContact O-N 3.38Å; L241-T245 PolarHBondContact O-OG1 3.02Å; S242-T245 PolarHBondContact O-N 3.34Å; L243-T245 VanDerWaalsContact C-N 3.35Å; T245-W249 WeakPolarHBondContact O-CB 3.15Å; T245-W249 PolarHBondContact O-N 2.98Å
246L97.9Very high93.2Very high5 Ų554.4 Ų54.43%0.02632%0.32CS..Hα-helixtrans-60.3-44.9175.6-70.9175.2000112Y155 M186 L190 L207 A211 S242 L243 C244 W249 G250Y155-L246 HydrophobicContact CD2-CD1 4.34Å; Y155-L246 HydrophobicContact CD2-CD2 4.04Å; Y155-L246 HydrophobicContact CE2-CD1 3.5Å; Y155-L246 HydrophobicContact CE2-CD2 3.81Å; Y155-L246 HydrophobicContact CE2-CG 3.82Å; Y155-L246 WeakPolarHBondContact OH-CD1 3.39Å; M186-L246 HydrophobicContact SD-CD2 4.46Å; L190-L246 HydrophobicContact CD2-CD2 4.06Å; L207-L246 HydrophobicContact CB-CD2 4.43Å; L207-L246 HydrophobicContact CD2-CD2 3.57Å; A211-L246 HydrophobicContact CB-CD1 4.25Å; S242-L246 WeakPolarHBondContact O-CG 3.46Å; S242-L246 PolarHBondContact O-N 2.92Å; S242-L246 VanDerWaalsContact O-N 3.08Å; L243-L246 HydrophobicContact CD2-CD1 4.47Å; L243-L246 PolarHBondContact O-N 3.06Å; C244-L246 PolarHBondContact O-N 3.49Å; L246-W249 PolarHBondContact O-N 3.19Å; L246-G250 PolarHBondContact O-N 3.05Å
247A97.4Very high93.8Very high60 Ų6052.9 Ų52.950%0.49631%0.31SS..Hα-helixtrans-66.3-48.6-178.800000112.2L243 C244 W249 G250 V251L243-A247 WeakPolarHBondContact O-CB 3.44Å; L243-A247 PolarHBondContact O-N 3.25Å; C244-A247 PolarHBondContact O-N 3.43Å; A247-W249 VanDerWaalsContact C-N 3.32Å; A247-W249 PolarHBondContact O-N 3.42Å; A247-G250 PolarHBondContact O-N 3.41Å; A247-V251 WeakPolarHBondContact O-CG2 3.28Å; A247-V251 PolarHBondContact O-N 3.41Å
248C98Very high94.1Very high77 Ų7751 Ų5152%0.5230%0.3SS..Hα-helixtrans-59.9-41.9176.1-67.80000111.6C244 V251 I252C244-C248 WeakPolarHBondContact O-CB 3.5Å; C244-C248 PolarHBondContact O-N 2.87Å; C244-C248 PolarHBondContact O-SG 3.2Å; C248-V251 PolarHBondContact O-N 2.74Å; C248-I252 WeakPolarHBondContact O-CD1 3.44Å; C248-I252 VanDerWaalsContact O-CG1 3.28Å; C248-I252 WeakPolarHBondContact O-CG1 3.28Å; C248-I252 PolarHBondContact O-N 2.82Å
249W98.2Very high94.4Very high67 Ų6756.6 Ų56.625%0.25432%0.315SS..Hα-helixtrans-65.5-39.6175.9-168.8-117.1000112.5L190 A194 T245 L246 A247 V251 I252 L253L190-W249 HydrophobicContact CB-CD2 4.33Å; L190-W249 HydrophobicContact CB-CG 4.19Å; L190-W249 HydrophobicContact CD1-CG 4.32Å; L190-W249 HydrophobicContact CD2-CB 3.92Å; L190-W249 HydrophobicContact CD2-CG 3.83Å; L190-W249 HydrophobicContact CG-CG 4.31Å; L190-W249 PolarHBondContact O-NE1 2.66Å; A194-W249 HydrophobicContact CB-CZ2 4.22Å; T245-W249 WeakPolarHBondContact O-CB 3.15Å; T245-W249 PolarHBondContact O-N 2.98Å; L246-W249 PolarHBondContact O-N 3.19Å; A247-W249 VanDerWaalsContact C-N 3.32Å; A247-W249 PolarHBondContact O-N 3.42Å; W249-V251 PolarHBondContact O-N 3.18Å; W249-I252 HydrophobicContact CE3-CB 4.43Å; W249-I252 HydrophobicContact CE3-CD1 4.19Å; W249-I252 HydrophobicContact CE3-CG2 4.34Å; W249-I252 HydrophobicContact CZ3-CG2 4.22Å; W249-I252 PolarHBondContact O-N 3.3Å; W249-L253 HydrophobicContact CD2-CG 4.44Å; W249-L253 HydrophobicContact CZ2-CD2 4.09Å; W249-L253 HydrophobicContact CZ2-CG 4.49Å; W249-L253 WeakPolarHBondContact O-CB 3.42Å; W249-L253 WeakPolarHBondContact O-CG 3.5Å; W249-L253 PolarHBondContact O-N 3.02Å
250G97.6Very high94.2Very high12 Ų1260.6 Ų60.612%0.12433%0.33CS..Hα-helixtrans-60.3-43.6174.100000112.7L207 L246 A247 L253 L254L207-G250 VanDerWaalsContact CD1-CA 3.48Å; L246-G250 PolarHBondContact O-N 3.05Å; A247-G250 PolarHBondContact O-N 3.41Å; G250-L253 PolarHBondContact O-N 2.95Å; G250-L254 WeakPolarHBondContact O-CB 3.43Å; G250-L254 VanDerWaalsContact O-CG 3.28Å; G250-L254 WeakPolarHBondContact O-CG 3.41Å; G250-L254 PolarHBondContact O-N 3.35Å
251V97.5Very high93.8Very high92 Ų9259.4 Ų59.456%0.55832%0.324SS*.Hα-helixtrans-61.9-47.9174173.50000111A247 C248 W249 L253 L254 S255A247-V251 WeakPolarHBondContact O-CG2 3.28Å; A247-V251 PolarHBondContact O-N 3.41Å; C248-V251 PolarHBondContact O-N 2.74Å; W249-V251 PolarHBondContact O-N 3.18Å; V251-L253 PolarHBondContact O-N 3.45Å; V251-L254 PolarHBondContact O-N 2.91Å; V251-S255 WeakPolarHBondContact O-CB 3.34Å; V251-S255 PolarHBondContact O-N 2.59Å; V251-S255 PolarHBondContact O-OG 2.87Å; V251-S255 VanDerWaalsContact O-OG 3.1Å
252I97.7Very high93.4Very high85 Ų8557.2 Ų57.244%0.43632%0.322SS..Hα-helixtrans-57.2-50.2178.1-70.1162.9000110.9C248 W249 L254 S255 V256C248-I252 WeakPolarHBondContact O-CD1 3.44Å; C248-I252 VanDerWaalsContact O-CG1 3.28Å; C248-I252 WeakPolarHBondContact O-CG1 3.28Å; C248-I252 PolarHBondContact O-N 2.82Å; W249-I252 HydrophobicContact CE3-CB 4.43Å; W249-I252 HydrophobicContact CE3-CD1 4.19Å; W249-I252 HydrophobicContact CE3-CG2 4.34Å; W249-I252 HydrophobicContact CZ3-CG2 4.22Å; W249-I252 PolarHBondContact O-N 3.3Å; I252-L254 PolarHBondContact O-N 3.27Å; I252-S255 PolarHBondContact O-N 2.79Å; I252-V256 HydrophobicContact CG2-CG2 4.44Å; I252-V256 WeakPolarHBondContact O-CB 3.36Å; I252-V256 VanDerWaalsContact O-CG2 3.29Å; I252-V256 WeakPolarHBondContact O-CG2 3.32Å; I252-V256 PolarHBondContact O-N 3.32Å
253L97.1Very high92.9Very high15 Ų1562.9 Ų62.98%0.07935%0.352CS..Hα-helixtrans-60.6-44-179.8-75.9-175000112.6A194 M197 V204 L207 W249 G250 V251 R257A194-L253 HydrophobicContact CB-CD1 4.24Å; A194-L253 HydrophobicContact CB-CD2 3.84Å; M197-L253 HydrophobicContact CE-CB 3.88Å; M197-L253 HydrophobicContact CE-CD2 3.94Å; M197-L253 HydrophobicContact CE-CG 4.34Å; M197-L253 HydrophobicContact SD-CB 3.93Å; V204-L253 HydrophobicContact CG2-CB 4.31Å; V204-L253 HydrophobicContact CG2-CD1 4.19Å; L207-L253 HydrophobicContact CD1-CD1 4.38Å; W249-L253 HydrophobicContact CD2-CG 4.44Å; W249-L253 HydrophobicContact CZ2-CD2 4.09Å; W249-L253 HydrophobicContact CZ2-CG 4.49Å; W249-L253 WeakPolarHBondContact O-CB 3.42Å; W249-L253 WeakPolarHBondContact O-CG 3.5Å; W249-L253 PolarHBondContact O-N 3.02Å; G250-L253 PolarHBondContact O-N 2.95Å; V251-L253 PolarHBondContact O-N 3.45Å; L253-R257 WeakPolarHBondContact O-CB 3.39Å; L253-R257 PolarHBondContact O-N 2.95Å
254L93.9Very high92.1Very high83 Ų8369.6 Ų69.644%0.43538%0.381SS..Hα-helixtrans-68.3-42.4178.7-70.9172.7000112V204 G250 V251 I252 R257 L258V204-L254 HydrophobicContact CG1-CD2 4.15Å; V204-L254 HydrophobicContact CG2-CD2 4.48Å; V204-L254 HydrophobicContact CG2-CG 4.44Å; G250-L254 WeakPolarHBondContact O-CB 3.43Å; G250-L254 VanDerWaalsContact O-CG 3.28Å; G250-L254 WeakPolarHBondContact O-CG 3.41Å; G250-L254 PolarHBondContact O-N 3.35Å; V251-L254 PolarHBondContact O-N 2.91Å; I252-L254 PolarHBondContact O-N 3.27Å; L254-R257 PolarHBondContact O-N 3.26Å; L254-L258 WeakPolarHBondContact O-CB 3.25Å; L254-L258 WeakPolarHBondContact O-CG 3.43Å; L254-L258 PolarHBondContact O-N 2.79Å
255S94.2Very high91.2Very high69 Ų6971.5 Ų71.548%0.48339%0.392SS..Hα-helixtrans-62.8-44.6176.6-66.60000112.1V251 I252 R257 L258 Y259V251-S255 WeakPolarHBondContact O-CB 3.34Å; V251-S255 PolarHBondContact O-N 2.59Å; V251-S255 PolarHBondContact O-OG 2.87Å; V251-S255 VanDerWaalsContact O-OG 3.1Å; I252-S255 PolarHBondContact O-N 2.79Å; S255-R257 VanDerWaalsContact C-N 3.34Å; S255-R257 PolarHBondContact O-N 3.34Å; S255-L258 PolarHBondContact O-N 3.18Å; S255-Y259 WeakPolarHBondContact O-CB 3.48Å; S255-Y259 PolarHBondContact O-N 2.9Å
256V93.1Very high90.1Very high79 Ų7971.3 Ų71.348%0.47939%0.392SS..Hα-helixtrans-60.9-44.2174.6171.30000110.5I252 W260I252-V256 HydrophobicContact CG2-CG2 4.44Å; I252-V256 WeakPolarHBondContact O-CB 3.36Å; I252-V256 VanDerWaalsContact O-CG2 3.29Å; I252-V256 WeakPolarHBondContact O-CG2 3.32Å; I252-V256 PolarHBondContact O-N 3.32Å; V256-W260 VanDerWaalsContact O-CB 3.3Å; V256-W260 WeakPolarHBondContact O-CB 3.49Å; V256-W260 PolarHBondContact O-N 2.66Å
257R90Very high89Confident20 Ų2077.8 Ų77.88%0.07543%0.427CS..Hα-helixtrans-62.3-45.9178.7-170.5-176.1-174.993.313.6112.4F65 M197 E201 L253 L254 S255 W260 M261F65-R257 PolarHBondContact O-NH1 3.44Å; F65-R257 PolarHBondContact O-NH2 3.36Å; M197-R257 HydrophobicContact CE-CB 4.3Å; M197-R257 PolarHBondContact O-NH1 2.75Å; M197-R257 HydrophobicContact SD-CB 4.45Å; E201-R257 IonicContact OE2-NH2 3.99Å; L253-R257 WeakPolarHBondContact O-CB 3.39Å; L253-R257 PolarHBondContact O-N 2.95Å; L254-R257 PolarHBondContact O-N 3.26Å; S255-R257 VanDerWaalsContact C-N 3.34Å; S255-R257 PolarHBondContact O-N 3.34Å; R257-W260 PolarHBondContact O-N 2.76Å; R257-M261 HydrophobicContact CG-SD 3.84Å; R257-M261 WeakPolarHBondContact O-CB 3.37Å; R257-M261 WeakPolarHBondContact O-CG 3.32Å; R257-M261 PolarHBondContact O-N 3.17Å
258L88.6Confident88.1Confident99 Ų9978.4 Ų78.452%0.51842%0.418SS..Hα-helixtrans-65.4-43.8-179.7-72.6170.6000112.1L254 S255 W260 M261 G262 N263L254-L258 WeakPolarHBondContact O-CB 3.25Å; L254-L258 WeakPolarHBondContact O-CG 3.43Å; L254-L258 PolarHBondContact O-N 2.79Å; S255-L258 PolarHBondContact O-N 3.18Å; L258-W260 VanDerWaalsContact C-N 3.31Å; L258-W260 PolarHBondContact O-N 3.23Å; L258-M261 PolarHBondContact O-N 3.46Å; L258-G262 PolarHBondContact O-N 3.45Å; L258-N263 VanDerWaalsContact C-OD1 3.29Å; L258-N263 PolarHBondContact O-N 2.9Å; L258-N263 PolarHBondContact O-OD1 2.99Å
259Y89.8Confident87.1Confident167 Ų16777.1 Ų77.166%0.65541%0.41SS*.Hα-helixtrans-55-48.8172.6172.2-97.6000111S255 M261 G262 N263S255-Y259 WeakPolarHBondContact O-CB 3.48Å; S255-Y259 PolarHBondContact O-N 2.9Å; Y259-M261 VanDerWaalsContact C-N 3.34Å; Y259-M261 PolarHBondContact O-N 2.92Å; Y259-G262 PolarHBondContact O-N 3.45Å; Y259-N263 PolarHBondContact N-OD1 3.09Å
260W85.8Confident86.4Confident85 Ų8577.9 Ų77.932%0.32242%0.419SS..Hα-helixtrans-70.4-27.6-177-151.1-73.8000113.6L47 Y48 F65 V256 R257 L258 G262L47-W260 HydrophobicContact CB-CZ2 4.22Å; L47-W260 VanDerWaalsContact O-CE2 3.31Å; L47-W260 PolarHBondContact O-NE1 3.35Å; Y48-W260 HydrophobicContact CD1-CZ2 4.26Å; Y48-W260 HydrophobicContact CE1-CZ2 4Å; F65-W260 HydrophobicContact CE1-CG 4.33Å; F65-W260 AromaticContact CE2-CD1 3.96Å; F65-W260 AromaticContact CE2-NE1 3.91Å; F65-W260 AromaticContact CZ-CD1 3.9Å; F65-W260 HydrophobicContact CZ-CG 4.33Å; F65-W260 AromaticContact CZ-NE1 3.93Å; V256-W260 VanDerWaalsContact O-CB 3.3Å; V256-W260 WeakPolarHBondContact O-CB 3.49Å; V256-W260 PolarHBondContact O-N 2.66Å; R257-W260 PolarHBondContact O-N 2.76Å; L258-W260 VanDerWaalsContact C-N 3.31Å; L258-W260 PolarHBondContact O-N 3.23Å; W260-G262 PolarHBondContact O-N 2.93Å
261M81.8Confident85.8Confident30 Ų3078.9 Ų78.915%0.14842%0.424CS..THydrogen-bonded Turntrans-77.72.1169.8-71.2168.965.400113.5K63 R257 L258 Y259K63-M261 HydrophobicContact CB-CE 3.72Å; K63-M261 HydrophobicContact CB-CG 4.48Å; K63-M261 WeakPolarHBondContact O-CE 3.26Å; R257-M261 HydrophobicContact CG-SD 3.84Å; R257-M261 WeakPolarHBondContact O-CB 3.37Å; R257-M261 WeakPolarHBondContact O-CG 3.32Å; R257-M261 PolarHBondContact O-N 3.17Å; L258-M261 PolarHBondContact O-N 3.46Å; Y259-M261 VanDerWaalsContact C-N 3.34Å; Y259-M261 PolarHBondContact O-N 2.92Å
262G81.9Confident85.2Confident42 Ų4276.3 Ų76.343%0.43341%0.407SS..THydrogen-bonded Turntrans76.921.8178.900000114.8L258 Y259 W260 K264L258-G262 PolarHBondContact O-N 3.45Å; Y259-G262 PolarHBondContact O-N 3.45Å; W260-G262 PolarHBondContact O-N 2.93Å; G262-K264 PolarHBondContact O-N 3.25Å
263N82.9Confident84.8Confident119 Ų11972.4 Ų72.464%0.63639%0.388SS*.THydrogen-bonded Turntrans5422.1177.8-63.6-42.8000115.9L258 Y259L258-N263 VanDerWaalsContact C-OD1 3.29Å; L258-N263 PolarHBondContact O-N 2.9Å; L258-N263 PolarHBondContact O-OD1 2.99Å; Y259-N263 PolarHBondContact N-OD1 3.09Å
264K77.9Confident84.5Confident157 Ų15772.5 Ų72.568%0.68339%0.389SS*.  trans-121139.6174.1-69.4-175.7179.1-1780110.4G262G262-K264 PolarHBondContact O-N 3.25Å
265P76.6Confident84.4Confident101 Ų10168.7 Ų68.766%0.65637%0.369SS*.PPolyproline II helixtrans-65.4153.2170.530-34.5000110.3
266P74.4Confident84.1Confident34 Ų3466.1 Ų66.122%0.22135%0.353CS..PPolyproline II helixtrans-63.6142.8166.427.4-34.3000110.9K63 F268K63-P266 HydrophobicContact CB-CB 4.37Å; K63-P266 HydrophobicContact CG-CB 4.04Å; P266-F268 HydrophobicContact CB-CE1 4.03Å; P266-F268 HydrophobicContact CB-CE2 4.2Å; P266-F268 HydrophobicContact CB-CZ 3.71Å; P266-F268 HydrophobicContact CG-CE1 4.15Å; P266-F268 HydrophobicContact CG-CE2 3.69Å; P266-F268 HydrophobicContact CG-CZ 3.34Å
267N75Confident83.9Confident141 Ų14166.9 Ų66.975%0.75435%0.354SS*.PPolyproline II helixtrans-87.7140.8169-70.1-17.1000109.3
268F77.8Confident83.9Confident72 Ų7266.4 Ų66.432%0.31635%0.354SS..  trans-126.6158.3177.5-55.9-66.4000109.7P266 D272 G431P266-F268 HydrophobicContact CB-CE1 4.03Å; P266-F268 HydrophobicContact CB-CE2 4.2Å; P266-F268 HydrophobicContact CB-CZ 3.71Å; P266-F268 HydrophobicContact CG-CE1 4.15Å; P266-F268 HydrophobicContact CG-CE2 3.69Å; P266-F268 HydrophobicContact CG-CZ 3.34Å; F268-D272 HydrophobicContact CB-CB 4.26Å; F268-G431 VanDerWaalsContact CD1-CA 3.44Å; F268-G431 VanDerWaalsContact CG-CA 3.42Å; F268-G431 VanDerWaalsContact CZ-N 3.32Å
269S78.4Confident84Confident50 Ų5066.7 Ų66.735%0.3536%0.362SS..  trans-85.4156.7175.371.70000111.5S271 D272 N273S269-S271 WeakPolarHBondContact CB-OG 3.5Å; S269-S271 PolarHBondContact O-N 3.16Å; S269-S271 VanDerWaalsContact O-N 3.16Å; S269-S271 PolarHBondContact OG-OG 3.11Å; S269-D272 WeakPolarHBondContact CB-OD2 3.42Å; S269-D272 PolarHBondContact N-OD2 3.44Å; S269-D272 WeakPolarHBondContact O-CB 3.25Å; S269-D272 PolarHBondContact O-N 3.23Å; S269-D272 PolarHBondContact OG-N 2.93Å; S269-D272 PolarHBondContact OG-OD2 3.3Å; S269-N273 PolarHBondContact O-N 2.96Å
270N82.8Confident84.3Confident84 Ų8464.7 Ų64.745%0.44936%0.358SS..THydrogen-bonded Turntrans-52.8-34.8170-172.82.1000111.8D272 N273 P274 D277N270-D272 PolarHBondContact O-N 3.44Å; N270-N273 CarbonylContact O-C 3.35Å; N270-N273 PolarHBondContact O-N 2.94Å; N270-P274 WeakPolarHBondContact O-CA 3.47Å; N270-P274 VanDerWaalsContact O-CD 3.29Å; N270-P274 WeakPolarHBondContact O-CD 3.39Å; N270-P274 VanDerWaalsContact O-CG 3.29Å; N270-P274 WeakPolarHBondContact O-CG 3.42Å; N270-P274 VanDerWaalsContact O-N 3.12Å; N270-P274 WeakPolarHBondContact OD1-CA 3.04Å; N270-D277 WeakPolarHBondContact CA-OD2 3.46Å; N270-D277 HydrophobicContact CB-CB 4.44Å; N270-D277 WeakPolarHBondContact CB-OD2 3.42Å; N270-D277 PolarHBondContact N-OD2 3.22Å
271S84.4Confident84.7Confident33 Ų3367.8 Ų67.823%0.23137%0.374CS..THydrogen-bonded Turntrans-65.6-15.7172.924.30000115.4S269 S310 M311S269-S271 WeakPolarHBondContact CB-OG 3.5Å; S269-S271 PolarHBondContact O-N 3.16Å; S269-S271 VanDerWaalsContact O-N 3.16Å; S269-S271 PolarHBondContact OG-OG 3.11Å; S271-S310 VanDerWaalsContact O-CB 3.28Å; S271-S310 WeakPolarHBondContact O-CB 3.49Å; S271-S310 PolarHBondContact O-OG 3.25Å; S271-S310 VanDerWaalsContact O-OG 3.11Å; S271-M311 WeakPolarHBondContact CB-SD 3.07Å; S271-M311 PolarHBondContact O-N 3.48Å
272D85.2Confident85.3Confident37 Ų3770.3 Ų70.320%0.19839%0.388CS..THydrogen-bonded Turntrans-91.1-34.7177.4-58.4-45.9000111.6F268 S269 N270F268-D272 HydrophobicContact CB-CB 4.26Å; S269-D272 WeakPolarHBondContact CB-OD2 3.42Å; S269-D272 PolarHBondContact N-OD2 3.44Å; S269-D272 WeakPolarHBondContact O-CB 3.25Å; S269-D272 PolarHBondContact O-N 3.23Å; S269-D272 PolarHBondContact OG-N 2.93Å; S269-D272 PolarHBondContact OG-OD2 3.3Å; N270-D272 PolarHBondContact O-N 3.44Å
273N89.9Confident86Confident4 Ų468.7 Ų68.72%0.02137%0.369CS..  trans-150.783.3177.4-172.3-15.1000112.3S269 N270 A275 A276 N425 V430 V433S269-N273 PolarHBondContact O-N 2.96Å; N270-N273 CarbonylContact O-C 3.35Å; N270-N273 PolarHBondContact O-N 2.94Å; N273-A275 PolarHBondContact O-N 3.41Å; N273-A275 VanDerWaalsContact O-N 3.07Å; N273-A275 PolarHBondContact OD1-N 3.02Å; N273-A276 HydrophobicContact CB-CB 4.27Å; N273-A276 WeakPolarHBondContact O-CB 3.36Å; N273-A276 PolarHBondContact O-N 3.3Å; N273-A276 VanDerWaalsContact O-N 3.08Å; N273-A276 PolarHBondContact OD1-N 3.36Å; N273-N425 PolarHBondContact ND2-OD1 3.49Å; N273-V430 PolarHBondContact ND2-O 2.94Å; N273-V433 HydrophobicContact CB-CG2 4.31Å
274P90.4Very high86.5Confident17 Ų1766 Ų6611%0.1135%0.35CS..THydrogen-bonded Turntrans-64.2-16.9-178.5-19.829.5000114.4N270 S278 M311 L316N270-P274 WeakPolarHBondContact O-CA 3.47Å; N270-P274 VanDerWaalsContact O-CD 3.29Å; N270-P274 WeakPolarHBondContact O-CD 3.39Å; N270-P274 VanDerWaalsContact O-CG 3.29Å; N270-P274 WeakPolarHBondContact O-CG 3.42Å; N270-P274 VanDerWaalsContact O-N 3.12Å; N270-P274 WeakPolarHBondContact OD1-CA 3.04Å; P274-S278 PolarHBondContact O-N 3.22Å; P274-M311 WeakPolarHBondContact CG-O 3.29Å; P274-L316 HydrophobicContact CB-CD2 4.45Å
275A90.8Very high87.3Confident2 Ų260.9 Ų60.92%0.01733%0.332CS..THydrogen-bonded Turntrans-76.4-29.2177.200000112.1N273 R284 T287 F288 L316N273-A275 PolarHBondContact O-N 3.41Å; N273-A275 VanDerWaalsContact O-N 3.07Å; N273-A275 PolarHBondContact OD1-N 3.02Å; A275-R284 WeakPolarHBondContact O-CD 3.38Å; A275-R284 VanDerWaalsContact O-CG 3.27Å; A275-R284 WeakPolarHBondContact O-CG 3.41Å; A275-T287 HydrophobicContact CB-CG2 3.76Å; A275-F288 HydrophobicContact CB-CD1 4.2Å; A275-F288 HydrophobicContact CB-CE1 3.52Å; A275-F288 HydrophobicContact CB-CZ 3.82Å; A275-L316 HydrophobicContact CB-CD2 3.76Å
276A89.1Confident88.2Confident16 Ų1656.9 Ų56.913%0.13231%0.305CS..THydrogen-bonded Turntrans-66.9-44.3175.200000111.9N273 R284 F288 Y429N273-A276 HydrophobicContact CB-CB 4.27Å; N273-A276 WeakPolarHBondContact O-CB 3.36Å; N273-A276 PolarHBondContact O-N 3.3Å; N273-A276 VanDerWaalsContact O-N 3.08Å; N273-A276 PolarHBondContact OD1-N 3.36Å; A276-R284 WeakPolarHBondContact O-CD 3.38Å; A276-F288 HydrophobicContact CB-CZ 4.35Å; A276-Y429 HydrophobicContact CB-CD2 3.53Å; A276-Y429 HydrophobicContact CB-CE2 3.91Å; A276-Y429 HydrophobicContact CB-CG 3.86Å
277D87.5Confident89.3Confident94 Ų9455.3 Ų55.350%0.50330%0.295SS..SBendtrans-84.9-5.7-174.7-71.4-7.2000114N270N270-D277 WeakPolarHBondContact CA-OD2 3.46Å; N270-D277 HydrophobicContact CB-CB 4.44Å; N270-D277 WeakPolarHBondContact CB-OD2 3.42Å; N270-D277 PolarHBondContact N-OD2 3.22Å
278S90.1Very high90.2Very high11 Ų1149 Ų498%0.07726%0.261CS..  trans-60.5127.1176.9-179.80000111P274 H280 R284P274-S278 PolarHBondContact O-N 3.22Å; S278-H280 VanDerWaalsContact C-N 3.26Å; S278-H280 PolarHBondContact O-N 3.34Å; S278-R284 VanDerWaalsContact O-CD 3.3Å; S278-R284 WeakPolarHBondContact O-CD 3.32Å; S278-R284 WeakPolarHBondContact O-CG 3.21Å; S278-R284 PolarHBondContact O-NH1 3.34Å
279P92.6Very high91Very high105 Ų10548.5 Ų48.568%0.68226%0.261SS*.SBendtrans-68.6-25.2-177.626.8-34.8000112.8F281 R284P279-F281 PolarHBondContact O-N 2.98Å; P279-R284 PolarHBondContact O-NH1 3.16Å
280H94.7Very high91.9Very high125 Ų12547 Ų4758%0.57925%0.248SC*.  trans-86.6113-174.6-57-64.4000112.1S278 L282 T283 R284S278-H280 VanDerWaalsContact C-N 3.26Å; S278-H280 PolarHBondContact O-N 3.34Å; H280-L282 VanDerWaalsContact C-N 3.29Å; H280-L282 PolarHBondContact O-N 3.45Å; H280-T283 WeakPolarHBondContact O-CB 3.49Å; H280-T283 PolarHBondContact O-N 3.04Å; H280-R284 PolarHBondContact O-N 3.41Å; H280-R284 VanDerWaalsContact O-N 3.12Å
281F94Very high92.5Very high150 Ų15043 Ų4366%0.65823%0.227SC*.Hα-helixtrans-49.8-45.8177.6177.2-100.3000113.3P279 T283 R284 T285P279-F281 PolarHBondContact O-N 2.98Å; F281-T283 VanDerWaalsContact C-N 3.34Å; F281-T283 PolarHBondContact O-N 2.9Å; F281-R284 WeakPolarHBondContact O-CB 3.47Å; F281-R284 PolarHBondContact O-N 3.04Å; F281-T285 WeakPolarHBondContact CZ-OG1 3.45Å; F281-T285 PolarHBondContact O-N 3.01Å; F281-T285 PolarHBondContact O-OG1 3.43Å; F281-T285 VanDerWaalsContact O-OG1 3.05Å
282L95.3Very high93Very high83 Ų8341.9 Ų41.944%0.43522%0.219SC..Hα-helixtrans-59-43.5178.6-177.764.4000112.2H280 T285 L286H280-L282 VanDerWaalsContact C-N 3.29Å; H280-L282 PolarHBondContact O-N 3.45Å; L282-T285 PolarHBondContact O-N 2.66Å; L282-L286 HydrophobicContact CD1-CD1 3.86Å; L282-L286 HydrophobicContact CD1-CD2 4.44Å; L282-L286 HydrophobicContact CD1-CG 3.94Å; L282-L286 HydrophobicContact CD2-CD1 4.5Å; L282-L286 HydrophobicContact CG-CD1 3.87Å; L282-L286 HydrophobicContact CG-CG 4.28Å; L282-L286 WeakPolarHBondContact O-CB 3.4Å; L282-L286 VanDerWaalsContact O-CG 3.31Å; L282-L286 WeakPolarHBondContact O-CG 3.15Å; L282-L286 PolarHBondContact O-N 3.36Å
283T95.5Very high93.5Very high8 Ų840.1 Ų40.15%0.04921%0.209CC..Hα-helixtrans-64.1-41.6178.7-58.90000111.4H280 F281 T287 L316 V317 R318H280-T283 WeakPolarHBondContact O-CB 3.49Å; H280-T283 PolarHBondContact O-N 3.04Å; F281-T283 VanDerWaalsContact C-N 3.34Å; F281-T283 PolarHBondContact O-N 2.9Å; T283-T287 VanDerWaalsContact O-CB 3.25Å; T283-T287 WeakPolarHBondContact O-CB 3.28Å; T283-T287 PolarHBondContact O-N 3.37Å; T283-T287 PolarHBondContact O-OG1 2.9Å; T283-L316 HydrophobicContact CG2-CB 3.78Å; T283-L316 HydrophobicContact CG2-CD1 4.03Å; T283-L316 HydrophobicContact CG2-CG 4.41Å; T283-V317 WeakPolarHBondContact CA-O 3.05Å; T283-R318 HydrophobicContact CG2-CG 4.06Å
284R94.3Very high93.7Very high63 Ų6340.7 Ų40.724%0.23822%0.215CC..Hα-helixtrans-59.2-54.5173.6-58.6-156.9-69-100.21.2110.8A275 A276 S278 P279 H280 F281 L286 T287 F288A275-R284 WeakPolarHBondContact O-CD 3.38Å; A275-R284 VanDerWaalsContact O-CG 3.27Å; A275-R284 WeakPolarHBondContact O-CG 3.41Å; A276-R284 WeakPolarHBondContact O-CD 3.38Å; S278-R284 VanDerWaalsContact O-CD 3.3Å; S278-R284 WeakPolarHBondContact O-CD 3.32Å; S278-R284 WeakPolarHBondContact O-CG 3.21Å; S278-R284 PolarHBondContact O-NH1 3.34Å; P279-R284 PolarHBondContact O-NH1 3.16Å; H280-R284 PolarHBondContact O-N 3.41Å; H280-R284 VanDerWaalsContact O-N 3.12Å; F281-R284 WeakPolarHBondContact O-CB 3.47Å; F281-R284 PolarHBondContact O-N 3.04Å; R284-L286 PolarHBondContact O-N 3.47Å; R284-T287 PolarHBondContact O-N 3.49Å; R284-F288 HydrophobicContact CB-CD2 4.18Å; R284-F288 HydrophobicContact CB-CE2 3.94Å; R284-F288 WeakPolarHBondContact O-CB 3.2Å; R284-F288 WeakPolarHBondContact O-CD2 3.38Å; R284-F288 WeakPolarHBondContact O-CG 3.31Å; R284-F288 PolarHBondContact O-N 2.89Å
285T94.4Very high93.9Very high49 Ų4940 Ų4030%0.30121%0.21SC..Hα-helixtrans-58.5-49.2-177.7-56.40000112.6F281 L282 L289F281-T285 WeakPolarHBondContact CZ-OG1 3.45Å; F281-T285 PolarHBondContact O-N 3.01Å; F281-T285 PolarHBondContact O-OG1 3.43Å; F281-T285 VanDerWaalsContact O-OG1 3.05Å; L282-T285 PolarHBondContact O-N 2.66Å; T285-L289 HydrophobicContact CG2-CD1 3.97Å; T285-L289 WeakPolarHBondContact O-CB 3.42Å; T285-L289 VanDerWaalsContact O-CG 3.27Å; T285-L289 WeakPolarHBondContact O-CG 3.49Å; T285-L289 PolarHBondContact O-N 3.02Å
286L96.4Very high94.1Very high16 Ų1641 Ų418%0.08422%0.218CC..Hα-helixtrans-66.3-40.1-179.6-65.3178.3000112L282 R284 H290 V317 L320L282-L286 HydrophobicContact CD1-CD1 3.86Å; L282-L286 HydrophobicContact CD1-CD2 4.44Å; L282-L286 HydrophobicContact CD1-CG 3.94Å; L282-L286 HydrophobicContact CD2-CD1 4.5Å; L282-L286 HydrophobicContact CG-CD1 3.87Å; L282-L286 HydrophobicContact CG-CG 4.28Å; L282-L286 WeakPolarHBondContact O-CB 3.4Å; L282-L286 VanDerWaalsContact O-CG 3.31Å; L282-L286 WeakPolarHBondContact O-CG 3.15Å; L282-L286 PolarHBondContact O-N 3.36Å; R284-L286 PolarHBondContact O-N 3.47Å; L286-H290 WeakPolarHBondContact O-CB 3.44Å; L286-H290 PolarHBondContact O-N 3.28Å; L286-V317 HydrophobicContact CB-CB 3.9Å; L286-V317 HydrophobicContact CB-CG1 3.71Å; L286-V317 HydrophobicContact CD1-CG1 4.25Å; L286-L320 HydrophobicContact CD1-CD2 4.2Å; L286-L320 HydrophobicContact CD1-CG 4.42Å; L286-L320 HydrophobicContact CD2-CD2 3.79Å
287T96Very high94.3Very high1 Ų145.5 Ų45.51%0.00623%0.232CC..Hα-helixtrans-66.1-47.9177.9-51.20000110.7A275 T283 R284 L289 H290 L291 L316 V317A275-T287 HydrophobicContact CB-CG2 3.76Å; T283-T287 VanDerWaalsContact O-CB 3.25Å; T283-T287 WeakPolarHBondContact O-CB 3.28Å; T283-T287 PolarHBondContact O-N 3.37Å; T283-T287 PolarHBondContact O-OG1 2.9Å; R284-T287 PolarHBondContact O-N 3.49Å; T287-L289 VanDerWaalsContact C-N 3.34Å; T287-L289 PolarHBondContact O-N 3.04Å; T287-H290 WeakPolarHBondContact O-CA 3.35Å; T287-H290 WeakPolarHBondContact O-CB 3.35Å; T287-H290 PolarHBondContact O-N 3.5Å; T287-L291 HydrophobicContact CG2-CD2 4.15Å; T287-L291 WeakPolarHBondContact O-CG 3.36Å; T287-L291 PolarHBondContact O-N 2.9Å; T287-L316 HydrophobicContact CG2-CD2 4.15Å; T287-V317 PolarHBondContact OG1-N 3.18Å
288F95Very high94.7Very high9 Ų941.3 Ų41.34%0.03921%0.209CC..Hα-helixtrans-67.9-27.3179-62.8-42.2000114.3A275 A276 R284 H290 L291 P292 N425 L426 Y429A275-F288 HydrophobicContact CB-CD1 4.2Å; A275-F288 HydrophobicContact CB-CE1 3.52Å; A275-F288 HydrophobicContact CB-CZ 3.82Å; A276-F288 HydrophobicContact CB-CZ 4.35Å; R284-F288 HydrophobicContact CB-CD2 4.18Å; R284-F288 HydrophobicContact CB-CE2 3.94Å; R284-F288 WeakPolarHBondContact O-CB 3.2Å; R284-F288 WeakPolarHBondContact O-CD2 3.38Å; R284-F288 WeakPolarHBondContact O-CG 3.31Å; R284-F288 PolarHBondContact O-N 2.89Å; F288-H290 VanDerWaalsContact C-N 3.34Å; F288-L291 HydrophobicContact CD1-CD1 3.86Å; F288-L291 HydrophobicContact CE1-CD1 4.39Å; F288-P292 WeakPolarHBondContact O-CD 3.45Å; F288-N425 HydrophobicContact CD1-CB 3.44Å; F288-N425 VanDerWaalsContact CD1-CB 3.44Å; F288-N425 HydrophobicContact CE1-CB 3.57Å; F288-N425 HydrophobicContact CG-CB 4.17Å; F288-N425 HydrophobicContact CZ-CB 4.38Å; F288-L426 HydrophobicContact CB-CD2 3.89Å; F288-Y429 HydrophobicContact CD2-CE1 4.1Å; F288-Y429 AromaticContact CE2-CD1 3.91Å; F288-Y429 HydrophobicContact CE2-CD1 3.91Å; F288-Y429 AromaticContact CE2-CE1 3.24Å; F288-Y429 HydrophobicContact CE2-CE1 3.24Å; F288-Y429 AromaticContact CE2-CZ 3.8Å; F288-Y429 AromaticContact CZ-CD1 3.78Å; F288-Y429 HydrophobicContact CZ-CD1 3.78Å; F288-Y429 AromaticContact CZ-CE1 3.58Å; F288-Y429 HydrophobicContact CZ-CE1 3.58Å
289L95.4Very high94.9Very high61 Ų6141.1 Ų41.132%0.31921%0.207SC..Hα-helixtrans-70.8-31.8167.4-72.1169.6000111.9T285 T287 T328 Y332 L426T285-L289 HydrophobicContact CG2-CD1 3.97Å; T285-L289 WeakPolarHBondContact O-CB 3.42Å; T285-L289 VanDerWaalsContact O-CG 3.27Å; T285-L289 WeakPolarHBondContact O-CG 3.49Å; T285-L289 PolarHBondContact O-N 3.02Å; T287-L289 VanDerWaalsContact C-N 3.34Å; T287-L289 PolarHBondContact O-N 3.04Å; L289-T328 HydrophobicContact CB-CG2 3.96Å; L289-T328 VanDerWaalsContact O-CG2 3.3Å; L289-T328 WeakPolarHBondContact O-CG2 3.31Å; L289-Y332 HydrophobicContact CB-CE2 4.28Å; L289-Y332 HydrophobicContact CD2-CE2 3.98Å; L289-Y332 WeakPolarHBondContact O-CE2 3.46Å; L289-L426 HydrophobicContact CD2-CD2 4.08Å; L289-L426 HydrophobicContact CG-CD2 4.4Å
290H96.3Very high95Very high19 Ų1941.3 Ų41.39%0.08820%0.202CC..Hα-helixtrans-73.4-34.3177.4-177.562.9000113.5L286 T287 F288 A293 A294 V317 T328L286-H290 WeakPolarHBondContact O-CB 3.44Å; L286-H290 PolarHBondContact O-N 3.28Å; T287-H290 WeakPolarHBondContact O-CA 3.35Å; T287-H290 WeakPolarHBondContact O-CB 3.35Å; T287-H290 PolarHBondContact O-N 3.5Å; F288-H290 VanDerWaalsContact C-N 3.34Å; H290-A293 WeakPolarHBondContact O-CA 3.3Å; H290-A293 WeakPolarHBondContact O-CB 3.49Å; H290-A293 PolarHBondContact O-N 3.24Å; H290-A294 PolarHBondContact O-N 3.1Å; H290-V317 HydrophobicContact CB-CG2 4.05Å; H290-T328 WeakPolarHBondContact CA-OG1 3.42Å; H290-T328 PolarHBondContact ND1-OG1 3.45Å; H290-T328 VanDerWaalsContact ND1-OG1 3.15Å
291L95Very high95Very high1 Ų137.2 Ų37.21%0.00519%0.187CC..Hα-helixtrans-58.3-44-175.4-51.6-175000113.9T287 F288 A293 A294 N295 V314 N425 V433T287-L291 HydrophobicContact CG2-CD2 4.15Å; T287-L291 WeakPolarHBondContact O-CG 3.36Å; T287-L291 PolarHBondContact O-N 2.9Å; F288-L291 HydrophobicContact CD1-CD1 3.86Å; F288-L291 HydrophobicContact CE1-CD1 4.39Å; L291-A293 VanDerWaalsContact C-N 3.3Å; L291-A293 PolarHBondContact O-N 3.42Å; L291-A294 PolarHBondContact O-N 3.3Å; L291-N295 WeakPolarHBondContact O-CB 3.43Å; L291-N295 PolarHBondContact O-N 3.26Å; L291-N295 PolarHBondContact O-ND2 2.92Å; L291-V314 HydrophobicContact CD2-CG1 4.04Å; L291-N425 HydrophobicContact CD1-CB 4.38Å; L291-V433 HydrophobicContact CD1-CB 4.49Å; L291-V433 HydrophobicContact CD1-CG1 3.65Å; L291-V433 HydrophobicContact CD2-CG1 3.39Å; L291-V433 HydrophobicContact CG-CG1 4.13Å
292P95.1Very high94.9Very high8 Ų830.4 Ų30.45%0.05216%0.158CC..Hα-helixtrans-60.6-36.3173.4-27.337.4000113.5F288 A296 F331 F420 T424 L426F288-P292 WeakPolarHBondContact O-CD 3.45Å; P292-A296 VanDerWaalsContact O-CB 3.32Å; P292-A296 WeakPolarHBondContact O-CB 3.37Å; P292-A296 PolarHBondContact O-N 3.19Å; P292-F331 HydrophobicContact CB-CE1 3.95Å; P292-F331 HydrophobicContact CB-CZ 4.41Å; P292-F420 HydrophobicContact CB-CE1 4.06Å; P292-F420 HydrophobicContact CG-CE1 4.33Å; P292-T424 HydrophobicContact CG-CG2 4.16Å; P292-L426 HydrophobicContact CG-CD1 4.31Å
293A95.2Very high94.5Very high0 Ų030.1 Ų30.10%016%0.157CC..Hα-helixtrans-69.7-39.7176.500000111.7H290 L291 A296 W297 H327 F331H290-A293 WeakPolarHBondContact O-CA 3.3Å; H290-A293 WeakPolarHBondContact O-CB 3.49Å; H290-A293 PolarHBondContact O-N 3.24Å; L291-A293 VanDerWaalsContact C-N 3.3Å; L291-A293 PolarHBondContact O-N 3.42Å; A293-A296 PolarHBondContact O-N 3.49Å; A293-W297 PolarHBondContact O-N 3Å; A293-H327 PolarHBondContact O-CE1 3.35Å; A293-F331 HydrophobicContact CB-CB 3.74Å; A293-F331 HydrophobicContact CB-CD1 3.74Å; A293-F331 HydrophobicContact CB-CG 3.76Å
294A94.8Very high94.3Very high16 Ų1635.2 Ų35.213%0.13218%0.178CC..Hα-helixtrans-64.8-43.6174.100000112H290 L291 A296 W297 L298 I434H290-A294 PolarHBondContact O-N 3.1Å; L291-A294 PolarHBondContact O-N 3.3Å; A294-A296 PolarHBondContact O-N 2.82Å; A294-W297 VanDerWaalsContact O-CB 3.32Å; A294-W297 WeakPolarHBondContact O-CB 3.28Å; A294-W297 PolarHBondContact O-N 3.18Å; A294-W297 VanDerWaalsContact O-N 3.15Å; A294-L298 PolarHBondContact O-N 2.86Å; A294-I434 HydrophobicContact CB-CD1 3.84Å
295N94.7Very high94.3Very high4 Ų432.9 Ų32.92%0.02117%0.17CC..Hα-helixtrans-63.1-39.6174.5-84.3-89000112.3L291 W297 L298 F420 L439L291-N295 WeakPolarHBondContact O-CB 3.43Å; L291-N295 PolarHBondContact O-N 3.26Å; L291-N295 PolarHBondContact O-ND2 2.92Å; N295-W297 VanDerWaalsContact C-N 3.29Å; N295-W297 PolarHBondContact O-N 3.45Å; N295-L298 WeakPolarHBondContact O-CB 3.33Å; N295-L298 PolarHBondContact O-N 2.84Å; N295-F420 HydrophobicContact CB-CE1 4.38Å; N295-F420 HydrophobicContact CB-CE2 4.01Å; N295-F420 HydrophobicContact CB-CZ 3.57Å; N295-L439 HydrophobicContact CB-CD2 4.05Å
296A94.1Very high94.3Very high21 Ų2130.6 Ų30.617%0.17416%0.156CC..Hα-helixtrans-66.4-30.6173.900000112.7P292 A293 A294 L298 L299 L300 F331P292-A296 VanDerWaalsContact O-CB 3.32Å; P292-A296 WeakPolarHBondContact O-CB 3.37Å; P292-A296 PolarHBondContact O-N 3.19Å; A293-A296 PolarHBondContact O-N 3.49Å; A294-A296 PolarHBondContact O-N 2.82Å; A296-L298 VanDerWaalsContact C-N 3.33Å; A296-L299 PolarHBondContact O-N 3.47Å; A296-L300 PolarHBondContact O-N 3.43Å; A296-F331 HydrophobicContact CB-CD2 3.72Å; A296-F331 HydrophobicContact CB-CE2 3.28Å; A296-F331 HydrophobicContact CB-CZ 4.04Å
297W95.1Very high94.1Very high112 Ų11230 Ų3042%0.42415%0.153SC..Hα-helixtrans-62.6-39.2172-171.1-97.9000111.8A293 A294 N295 L299 L300 C301 H327A293-W297 PolarHBondContact O-N 3Å; A294-W297 VanDerWaalsContact O-CB 3.32Å; A294-W297 WeakPolarHBondContact O-CB 3.28Å; A294-W297 PolarHBondContact O-N 3.18Å; A294-W297 VanDerWaalsContact O-N 3.15Å; N295-W297 VanDerWaalsContact C-N 3.29Å; N295-W297 PolarHBondContact O-N 3.45Å; W297-L299 PolarHBondContact O-N 3.31Å; W297-L300 PolarHBondContact O-N 2.98Å; W297-C301 HydrophobicContact CD2-CB 4.46Å; W297-C301 HydrophobicContact CZ2-CB 3.87Å; W297-C301 CarbonylContact O-C 3.41Å; W297-C301 PolarHBondContact O-N 2.81Å; W297-H327 AromaticContact CE3-NE2 3.38Å; W297-H327 AromaticContact CZ3-NE2 3.98Å
298L94.7Very high93.9Very high6 Ų631.2 Ų31.23%0.03116%0.159CC..Hα-helixtrans-62.6-23.7175.5-58.9-177.3000113.9A294 N295 A296 P302 K304 L305 W309 I434 L439A294-L298 PolarHBondContact O-N 2.86Å; N295-L298 WeakPolarHBondContact O-CB 3.33Å; N295-L298 PolarHBondContact O-N 2.84Å; A296-L298 VanDerWaalsContact C-N 3.33Å; L298-P302 WeakPolarHBondContact O-CB 3.22Å; L298-K304 WeakPolarHBondContact CD2-O 3.32Å; L298-L305 HydrophobicContact CD2-CD2 4.38Å; L298-W309 HydrophobicContact CD1-CZ2 4.32Å; L298-W309 HydrophobicContact CD2-CZ2 4.35Å; L298-I434 HydrophobicContact CD1-CG2 3.66Å; L298-L439 HydrophobicContact CB-CD1 3.81Å; L298-L439 HydrophobicContact CD1-CD1 4.16Å
299L94.9Very high93.8Very high6 Ų632 Ų323%0.03116%0.162CC..Hα-helixtrans-82.5-29.1171-68.3175.3000112.9H126 A296 W297 L416 L439 Y446H126-L299 PolarHBondContact NE2-O 3.39Å; A296-L299 PolarHBondContact O-N 3.47Å; W297-L299 PolarHBondContact O-N 3.31Å; L299-L416 HydrophobicContact CD1-CD1 3.77Å; L299-L439 HydrophobicContact CD2-CB 4.15Å; L299-L439 HydrophobicContact CG-CD1 4.35Å; L299-Y446 HydrophobicContact CB-CD2 4.05Å; L299-Y446 HydrophobicContact CB-CE2 4.2Å; L299-Y446 HydrophobicContact CB-CG 4.27Å; L299-Y446 HydrophobicContact CD1-CG 4.45Å; L299-Y446 PolarHBondContact O-OH 2.92Å; L299-Y446 VanDerWaalsContact O-OH 3.04Å
300L94Very high93.6Very high109 Ų10929.4 Ų29.457%0.57115%0.149SC*.Hα-helixtrans-86.4-38-178.9-71.9165.7000112.8A296 W297 Y446A296-L300 PolarHBondContact O-N 3.43Å; W297-L300 PolarHBondContact O-N 2.98Å; L300-Y446 HydrophobicContact CD2-CE2 3.89Å; L300-Y446 HydrophobicContact CG-CE2 4.39Å
301C94.3Very high93.2Very high39 Ų3929.6 Ų29.626%0.26415%0.15SC..  trans-146.387.6-179.2-170.50000108.6W297 D303W297-C301 HydrophobicContact CD2-CB 4.46Å; W297-C301 HydrophobicContact CZ2-CB 3.87Å; W297-C301 CarbonylContact O-C 3.41Å; W297-C301 PolarHBondContact O-N 2.81Å; C301-D303 PolarHBondContact O-N 3.33Å
302P93.2Very high92.7Very high8 Ų834.4 Ų34.45%0.05218%0.176CC..  trans-76.172.5173.929.7-33.3000109.9P127 L298 L305 R484P127-P302 HydrophobicContact CB-CB 3.97Å; P127-P302 HydrophobicContact CB-CG 4Å; P127-P302 HydrophobicContact CG-CB 4.33Å; P127-P302 HydrophobicContact CG-CG 3.8Å; L298-P302 WeakPolarHBondContact O-CB 3.22Å; P302-L305 HydrophobicContact CB-CD1 4.28Å; P302-L305 HydrophobicContact CB-CD2 4.11Å; P302-L305 HydrophobicContact CB-CG 4.42Å; P302-R484 VanDerWaalsContact C-NH1 3.27Å; P302-R484 PolarHBondContact O-NH1 2.89Å
303D86.8Confident92.5Very high76 Ų7635 Ų3541%0.40618%0.182SC..  trans-98.7-33.9177.669-29.3000113.1C301C301-D303 PolarHBondContact O-N 3.33Å
304K90.4Very high92.3Very high116 Ų11635.9 Ų35.950%0.50419%0.187SC..  trans-112.998.6176.3-64.7178.5-175.8-177.80109.6L298 W309L298-K304 WeakPolarHBondContact CD2-O 3.32Å; K304-W309 HydrophobicContact CB-CH2 4.26Å; K304-W309 WeakPolarHBondContact O-CZ2 3.36Å
305L93.9Very high92.1Very high14 Ų1438.9 Ų38.97%0.07321%0.205CC..  trans-115139.8176.1-62.5-174.8000108.4P127 L298 P302 E436 R488P127-L305 HydrophobicContact CB-CD1 3.86Å; L298-L305 HydrophobicContact CD2-CD2 4.38Å; P302-L305 HydrophobicContact CB-CD1 4.28Å; P302-L305 HydrophobicContact CB-CD2 4.11Å; P302-L305 HydrophobicContact CB-CG 4.42Å; L305-E436 VanDerWaalsContact C-OE1 3.31Å; L305-E436 VanDerWaalsContact CA-OE1 3.24Å; L305-E436 WeakPolarHBondContact CA-OE1 3.45Å; L305-E436 WeakPolarHBondContact CB-OE1 3.12Å; L305-E436 HydrophobicContact CD2-CG 4.03Å; L305-R488 HydrophobicContact CD1-CG 3.94Å
306S94.6Very high92.1Very high0 Ų040.5 Ų40.50%021%0.214CC..  trans-146.2144.4-177.4-177.70000110.6D308 E436S306-D308 WeakPolarHBondContact CB-O 3.48Å; S306-D308 PolarHBondContact O-N 2.96Å; S306-D308 PolarHBondContact OG-N 3.41Å; S306-D308 PolarHBondContact OG-O 3.27Å; S306-E436 PolarHBondContact N-OE1 3.24Å
307F92.6Very high92.3Very high5 Ų539.5 Ų39.52%0.02221%0.205CC..SBendtrans-63-19.117375.3-90.4000112.7Y25 W492 L498 Y499 A510Y25-F307 AromaticContact CD1-CD2 3.79Å; Y25-F307 HydrophobicContact CD1-CD2 3.79Å; Y25-F307 HydrophobicContact CD1-CE2 4.48Å; Y25-F307 HydrophobicContact CD2-CD2 4.15Å; Y25-F307 HydrophobicContact CD2-CE2 4.1Å; Y25-F307 AromaticContact CE1-CD2 3.62Å; Y25-F307 HydrophobicContact CE1-CD2 3.62Å; Y25-F307 HydrophobicContact CE1-CE2 4.13Å; Y25-F307 AromaticContact CE2-CD2 4Å; Y25-F307 HydrophobicContact CE2-CD2 4Å; Y25-F307 AromaticContact CE2-CE2 3.72Å; Y25-F307 HydrophobicContact CE2-CE2 3.72Å; Y25-F307 HydrophobicContact CG-CD2 4.05Å; Y25-F307 HydrophobicContact CG-CE2 4.46Å; Y25-F307 AromaticContact CZ-CD2 3.72Å; Y25-F307 AromaticContact CZ-CE2 3.72Å; F307-W492 HydrophobicContact CB-CH2 4.39Å; F307-W492 HydrophobicContact CB-CZ2 4.26Å; F307-L498 HydrophobicContact CB-CD1 3.74Å; F307-L498 HydrophobicContact CB-CD2 4.02Å; F307-L498 HydrophobicContact CB-CG 3.79Å; F307-L498 HydrophobicContact CD1-CG 4.24Å; F307-L498 HydrophobicContact CG-CD1 4.48Å; F307-L498 HydrophobicContact CG-CD2 4.41Å; F307-L498 HydrophobicContact CG-CG 4.08Å; F307-Y499 HydrophobicContact CD1-CD1 4.42Å; F307-Y499 HydrophobicContact CD2-CE1 4.41Å; F307-Y499 AromaticContact CE1-CD1 3.84Å; F307-Y499 HydrophobicContact CE1-CD1 3.84Å; F307-Y499 AromaticContact CE2-CD1 3.94Å; F307-Y499 HydrophobicContact CE2-CD1 3.94Å; F307-Y499 AromaticContact CE2-CE1 3.95Å; F307-Y499 HydrophobicContact CE2-CE1 3.95Å; F307-Y499 AromaticContact CZ-CD1 3.59Å; F307-Y499 HydrophobicContact CZ-CD1 3.59Å; F307-Y499 HydrophobicContact CZ-CE1 4.08Å; F307-A510 HydrophobicContact CE1-CB 4.09Å; F307-A510 HydrophobicContact CZ-CB 4.26Å
308D92.6Very high92.3Very high25 Ų2543 Ų4313%0.13422%0.219CC..  trans-156.9143.6-176.7-171.695.3000112.3Y25 S306 S310 N506 K509Y25-D308 PolarHBondContact OH-OD1 3.22Å; S306-D308 WeakPolarHBondContact CB-O 3.48Å; S306-D308 PolarHBondContact O-N 2.96Å; S306-D308 PolarHBondContact OG-N 3.41Å; S306-D308 PolarHBondContact OG-O 3.27Å; D308-S310 WeakPolarHBondContact OD2-CA 3.22Å; D308-S310 WeakPolarHBondContact OD2-CB 3.29Å; D308-S310 PolarHBondContact OD2-N 2.95Å; D308-S310 PolarHBondContact OD2-OG 3.47Å; D308-N506 PolarHBondContact OD2-ND2 3.3Å; D308-K509 HydrophobicContact CB-CD 4.39Å; D308-K509 IonicContact OD1-NZ 3.67Å; D308-K509 PolarHBondContact OD1-NZ 2.86Å; D308-K509 VanDerWaalsContact OD2-CD 3.3Å; D308-K509 WeakPolarHBondContact OD2-CD 3.42Å; D308-K509 IonicContact OD2-NZ 3.69Å; D308-K509 PolarHBondContact OD2-NZ 3.46Å
309W93.4Very high92.3Very high26 Ų2645.6 Ų45.610%0.09824%0.237CC..  trans-127.625178.7-63.879.6000112.4L298 K304 V314 I434 V505L298-W309 HydrophobicContact CD1-CZ2 4.32Å; L298-W309 HydrophobicContact CD2-CZ2 4.35Å; K304-W309 HydrophobicContact CB-CH2 4.26Å; K304-W309 WeakPolarHBondContact O-CZ2 3.36Å; W309-V314 HydrophobicContact CE3-CG2 3.84Å; W309-V314 HydrophobicContact CZ3-CG2 4.43Å; W309-I434 HydrophobicContact CB-CB 3.87Å; W309-I434 WeakPolarHBondContact CB-O 3.46Å; W309-I434 HydrophobicContact CD2-CB 3.89Å; W309-I434 HydrophobicContact CD2-CD1 4.4Å; W309-I434 HydrophobicContact CD2-CG2 3.89Å; W309-I434 HydrophobicContact CE3-CB 4.33Å; W309-I434 HydrophobicContact CE3-CD1 4.01Å; W309-I434 HydrophobicContact CG-CB 3.69Å; W309-I434 HydrophobicContact CG-CG2 3.95Å; W309-I434 HydrophobicContact CZ2-CG2 4.44Å; W309-I434 HydrophobicContact CZ3-CD1 4.22Å; W309-V505 HydrophobicContact CD2-CG1 3.7Å; W309-V505 HydrophobicContact CE3-CG1 3.48Å; W309-V505 VanDerWaalsContact CE3-CG1 3.48Å; W309-V505 HydrophobicContact CG-CG1 4.42Å; W309-V505 HydrophobicContact CH2-CG1 3.98Å; W309-V505 HydrophobicContact CZ2-CG1 4.16Å; W309-V505 HydrophobicContact CZ3-CG1 3.63Å
310S90.6Very high92.3Very high7 Ų751.1 Ų51.15%0.04927%0.266CS..  trans-77.5-174.9173.31070000110.5S271 D308 A313 N506 K509S271-S310 VanDerWaalsContact O-CB 3.28Å; S271-S310 WeakPolarHBondContact O-CB 3.49Å; S271-S310 PolarHBondContact O-OG 3.25Å; S271-S310 VanDerWaalsContact O-OG 3.11Å; D308-S310 WeakPolarHBondContact OD2-CA 3.22Å; D308-S310 WeakPolarHBondContact OD2-CB 3.29Å; D308-S310 PolarHBondContact OD2-N 2.95Å; D308-S310 PolarHBondContact OD2-OG 3.47Å; S310-A313 VanDerWaalsContact O-CB 3.26Å; S310-A313 WeakPolarHBondContact O-CB 3.49Å; S310-N506 PolarHBondContact O-ND2 2.91Å; S310-K509 PolarHBondContact OG-NZ 3.04Å
311M86.9Confident92.4Very high22 Ų2250.4 Ų50.411%0.10828%0.276CS..G310 helixtrans58.1-145.3-173.8-50.1-66.4-122.500109.9S271 P274 A313 K509 M541S271-M311 WeakPolarHBondContact CB-SD 3.07Å; S271-M311 PolarHBondContact O-N 3.48Å; P274-M311 WeakPolarHBondContact CG-O 3.29Å; M311-A313 PolarHBondContact O-N 2.83Å; M311-K509 HydrophobicContact CG-CB 4.41Å; M311-M541 HydrophobicContact CE-CG 3.97Å; M311-M541 HydrophobicContact CE-SD 3.41Å; M311-M541 WeakPolarHBondContact CE-SD 3.41Å
312D85.8Confident92.5Very high102 Ų10250.1 Ų50.155%0.54527%0.271SS..G310 helixtrans-8916.7-174.7-52.9-85000112.7V314 R538D312-V314 PolarHBondContact O-N 3.13Å; D312-R538 IonicContact OD2-CZ 2.66Å; D312-R538 IonicContact OD2-NH1 3.53Å; D312-R538 PolarHBondContact OD2-NH1 2.71Å
313A89.7Confident92.7Very high21 Ų2158.6 Ų58.617%0.17430%0.302CS..G310 helixtrans-59.1-29-177.300000113.9S310 M311 V505 N506S310-A313 VanDerWaalsContact O-CB 3.26Å; S310-A313 WeakPolarHBondContact O-CB 3.49Å; M311-A313 PolarHBondContact O-N 2.83Å; A313-V505 WeakPolarHBondContact CA-O 3.27Å; A313-V505 HydrophobicContact CB-CG1 4.24Å; A313-V505 WeakPolarHBondContact CB-O 3.47Å; A313-N506 HydrophobicContact CB-CB 4.13Å
314V90.8Very high93.1Very high19 Ų1956.5 Ų56.512%0.11529%0.289CS..SBendtrans-116.499.7168.7-175.10000108.3L291 W309 D312 L316 V433 I434L291-V314 HydrophobicContact CD2-CG1 4.04Å; W309-V314 HydrophobicContact CE3-CG2 3.84Å; W309-V314 HydrophobicContact CZ3-CG2 4.43Å; D312-V314 PolarHBondContact O-N 3.13Å; V314-L316 PolarHBondContact O-N 3.48Å; V314-V433 HydrophobicContact CB-CG1 3.9Å; V314-V433 HydrophobicContact CG1-CG1 4.27Å; V314-V433 HydrophobicContact CG2-CG1 3.95Å; V314-I434 HydrophobicContact CG2-CD1 3.73Å; V314-I434 HydrophobicContact CG2-CG1 4.12Å
315P92.1Very high93.4Very high79 Ų7952.1 Ų52.151%0.51327%0.271SS..  trans-59.1139-178.8-26.634.9000112.1R324P315-R324 PolarHBondContact O-NH1 3.45Å
316L94.6Very high93.4Very high38 Ų3857.9 Ų57.920%0.19930%0.301CS..  trans-59.8143.2178.9-59.3-177.8000112.2P274 A275 T283 T287 V314 R318 R324P274-L316 HydrophobicContact CB-CD2 4.45Å; A275-L316 HydrophobicContact CB-CD2 3.76Å; T283-L316 HydrophobicContact CG2-CB 3.78Å; T283-L316 HydrophobicContact CG2-CD1 4.03Å; T283-L316 HydrophobicContact CG2-CG 4.41Å; T287-L316 HydrophobicContact CG2-CD2 4.15Å; V314-L316 PolarHBondContact O-N 3.48Å; L316-R318 HydrophobicContact CB-CG 4.3Å; L316-R318 PolarHBondContact O-N 3.35Å; L316-R324 PolarHBondContact O-NH2 3.01Å
317V96.5Very high93.3Very high0 Ų060.6 Ų60.60%031%0.314CS..  trans-90.497.3174.6-173.60000108.5T283 L286 T287 H290 D322 N325T283-V317 WeakPolarHBondContact CA-O 3.05Å; L286-V317 HydrophobicContact CB-CB 3.9Å; L286-V317 HydrophobicContact CB-CG1 3.71Å; L286-V317 HydrophobicContact CD1-CG1 4.25Å; T287-V317 PolarHBondContact OG1-N 3.18Å; H290-V317 HydrophobicContact CB-CG2 4.05Å; V317-D322 HydrophobicContact CG1-CB 3.88Å; V317-N325 WeakPolarHBondContact CG1-OD1 3.47Å
318R95.7Very high93.5Very high186 Ų18660.8 Ų60.870%0.70232%0.316SS*.  trans-90.3-15.4-169.3-63.6-175.6-178.7-172.70.7115.2T283 L316T283-R318 HydrophobicContact CG2-CG 4.06Å; L316-R318 HydrophobicContact CB-CG 4.3Å; L316-R318 PolarHBondContact O-N 3.35Å
319S96Very high93.7Very high60 Ų6062 Ų6242%0.4233%0.329SS..  trans-141.2152.1-173.7179.40000111.9A321 D322 N325S319-A321 PolarHBondContact O-N 2.9Å; S319-A321 PolarHBondContact OG-N 3.35Å; S319-D322 VanDerWaalsContact O-CB 3.29Å; S319-D322 WeakPolarHBondContact O-CB 3.21Å; S319-D322 PolarHBondContact O-N 3.07Å; S319-N325 PolarHBondContact O-ND2 3.29Å
320L94.9Very high93.9Very high122 Ų12263.9 Ų63.964%0.63935%0.35SS*.THydrogen-bonded Turntrans-63.9-28.6171-71.1168.3000112.4L286 D322 N325L286-L320 HydrophobicContact CD1-CD2 4.2Å; L286-L320 HydrophobicContact CD1-CG 4.42Å; L286-L320 HydrophobicContact CD2-CD2 3.79Å; L320-D322 PolarHBondContact O-N 3.36Å; L320-N325 VanDerWaalsContact C-ND2 3.32Å; L320-N325 WeakPolarHBondContact CA-ND2 3.29Å; L320-N325 PolarHBondContact O-ND2 3.5Å
321A95.9Very high94.1Very high93 Ų9365.9 Ų65.977%0.76936%0.358SS*.THydrogen-bonded Turntrans-77-3.2178.100000114S319 W323S319-A321 PolarHBondContact O-N 2.9Å; S319-A321 PolarHBondContact OG-N 3.35Å; A321-W323 PolarHBondContact O-N 3.4Å
322D96.6Very high94.6Very high33 Ų3367.6 Ų67.618%0.17636%0.364CS..  trans-63.8124.8174.6-168-45.2000110.2V317 S319 L320 R324 N325V317-D322 HydrophobicContact CG1-CB 3.88Å; S319-D322 VanDerWaalsContact O-CB 3.29Å; S319-D322 WeakPolarHBondContact O-CB 3.21Å; S319-D322 PolarHBondContact O-N 3.07Å; L320-D322 PolarHBondContact O-N 3.36Å; D322-R324 PolarHBondContact O-N 3.33Å; D322-R324 VanDerWaalsContact OD1-CB 3.27Å; D322-R324 WeakPolarHBondContact OD1-CB 3.43Å; D322-R324 WeakPolarHBondContact OD1-CG 3.41Å; D322-R324 IonicContact OD1-CZ 3.89Å; D322-R324 PolarHBondContact OD1-N 2.74Å; D322-R324 IonicContact OD1-NE 2.97Å; D322-R324 PolarHBondContact OD1-NE 3.31Å; D322-R324 IonicContact OD1-NH2 3.95Å; D322-R324 IonicContact OD2-CZ 2.76Å; D322-R324 IonicContact OD2-NE 3.64Å; D322-R324 PolarHBondContact OD2-NE 3.01Å; D322-R324 IonicContact OD2-NH2 3.2Å; D322-R324 PolarHBondContact OD2-NH2 2.96Å; D322-N325 VanDerWaalsContact O-CB 3.29Å; D322-N325 WeakPolarHBondContact O-CB 3.26Å; D322-N325 PolarHBondContact O-N 3.04Å; D322-N325 PolarHBondContact O-ND2 3.12Å
323W95.6Very high95.1Very high186 Ų18666.2 Ų66.271%0.70536%0.361SS*.THydrogen-bonded Turntrans-57.1-25.3-17772.2-91.5000112.8A321 N325 L326A321-W323 PolarHBondContact O-N 3.4Å; W323-N325 PolarHBondContact O-N 3.28Å; W323-L326 VanDerWaalsContact O-CB 3.27Å; W323-L326 WeakPolarHBondContact O-CB 3.45Å; W323-L326 PolarHBondContact O-N 3.1Å
324R95.9Very high95.4Very high32 Ų3266.6 Ų66.612%0.12137%0.367CS..Hα-helixtrans-63-24.1177-65.1177.7-69.9166.3-1.2112.4P315 L316 D322 L326 H327 T328P315-R324 PolarHBondContact O-NH1 3.45Å; L316-R324 PolarHBondContact O-NH2 3.01Å; D322-R324 PolarHBondContact O-N 3.33Å; D322-R324 VanDerWaalsContact OD1-CB 3.27Å; D322-R324 WeakPolarHBondContact OD1-CB 3.43Å; D322-R324 WeakPolarHBondContact OD1-CG 3.41Å; D322-R324 IonicContact OD1-CZ 3.89Å; D322-R324 PolarHBondContact OD1-N 2.74Å; D322-R324 IonicContact OD1-NE 2.97Å; D322-R324 PolarHBondContact OD1-NE 3.31Å; D322-R324 IonicContact OD1-NH2 3.95Å; D322-R324 IonicContact OD2-CZ 2.76Å; D322-R324 IonicContact OD2-NE 3.64Å; D322-R324 PolarHBondContact OD2-NE 3.01Å; D322-R324 IonicContact OD2-NH2 3.2Å; D322-R324 PolarHBondContact OD2-NH2 2.96Å; R324-L326 VanDerWaalsContact C-N 3.25Å; R324-L326 PolarHBondContact O-N 3.49Å; R324-H327 WeakPolarHBondContact O-CB 3.44Å; R324-H327 PolarHBondContact O-N 3.26Å; R324-T328 PolarHBondContact O-N 2.89Å; R324-T328 PolarHBondContact O-OG1 3.45Å
325N96.6Very high95.6Very high24 Ų2468.4 Ų68.413%0.12838%0.375CS..Hα-helixtrans-65.2-27.9171.8-63.7-41.5000112.5V317 S319 L320 D322 W323 T328 A329V317-N325 WeakPolarHBondContact CG1-OD1 3.47Å; S319-N325 PolarHBondContact O-ND2 3.29Å; L320-N325 VanDerWaalsContact C-ND2 3.32Å; L320-N325 WeakPolarHBondContact CA-ND2 3.29Å; L320-N325 PolarHBondContact O-ND2 3.5Å; D322-N325 VanDerWaalsContact O-CB 3.29Å; D322-N325 WeakPolarHBondContact O-CB 3.26Å; D322-N325 PolarHBondContact O-N 3.04Å; D322-N325 PolarHBondContact O-ND2 3.12Å; W323-N325 PolarHBondContact O-N 3.28Å; N325-T328 PolarHBondContact O-N 3.48Å; N325-A329 VanDerWaalsContact O-CB 3.25Å; N325-A329 WeakPolarHBondContact O-CB 3.35Å; N325-A329 PolarHBondContact O-N 2.94Å
326L95.1Very high95.7Very high135 Ų13569 Ų6971%0.70737%0.373SS*.Hα-helixtrans-67.4-41.3173-59.5173.8000110.9W323 R324 A329 A330W323-L326 VanDerWaalsContact O-CB 3.27Å; W323-L326 WeakPolarHBondContact O-CB 3.45Å; W323-L326 PolarHBondContact O-N 3.1Å; R324-L326 VanDerWaalsContact C-N 3.25Å; R324-L326 PolarHBondContact O-N 3.49Å; L326-A329 PolarHBondContact O-N 3.34Å; L326-A330 VanDerWaalsContact O-CB 3.31Å; L326-A330 WeakPolarHBondContact O-CB 3.22Å; L326-A330 PolarHBondContact O-N 3.18Å
327H92.6Very high95.7Very high57 Ų5772.9 Ų72.926%0.26439%0.394SS..Hα-helixtrans-64.1-45174-174.5-99000111.3A293 W297 R324 A329 A330 F331A293-H327 PolarHBondContact O-CE1 3.35Å; W297-H327 AromaticContact CE3-NE2 3.38Å; W297-H327 AromaticContact CZ3-NE2 3.98Å; R324-H327 WeakPolarHBondContact O-CB 3.44Å; R324-H327 PolarHBondContact O-N 3.26Å; H327-A329 PolarHBondContact O-N 3.14Å; H327-A330 PolarHBondContact O-N 2.88Å; H327-F331 WeakPolarHBondContact O-CB 3.35Å; H327-F331 PolarHBondContact O-N 3.04Å
328T96.6Very high95.6Very high10 Ų1076.3 Ų76.36%0.06141%0.412CS..Hα-helixtrans-58.4-46.8174.2-57.20000112L289 H290 R324 N325 F331 Y332L289-T328 HydrophobicContact CB-CG2 3.96Å; L289-T328 VanDerWaalsContact O-CG2 3.3Å; L289-T328 WeakPolarHBondContact O-CG2 3.31Å; H290-T328 WeakPolarHBondContact CA-OG1 3.42Å; H290-T328 PolarHBondContact ND1-OG1 3.45Å; H290-T328 VanDerWaalsContact ND1-OG1 3.15Å; R324-T328 PolarHBondContact O-N 2.89Å; R324-T328 PolarHBondContact O-OG1 3.45Å; N325-T328 PolarHBondContact O-N 3.48Å; T328-F331 PolarHBondContact O-N 2.71Å; T328-Y332 HydrophobicContact CG2-CD2 3.84Å; T328-Y332 HydrophobicContact CG2-CE2 3.75Å; T328-Y332 VanDerWaalsContact O-CD2 3.26Å; T328-Y332 WeakPolarHBondContact O-CD2 3.25Å; T328-Y332 PolarHBondContact O-N 3Å
329A96.8Very high95.3Very high51 Ų5168.4 Ų68.442%0.42139%0.386SS..Hα-helixtrans-63.2-46.9177.100000111.7N325 L326 H327 F331 Y332 C333N325-A329 VanDerWaalsContact O-CB 3.25Å; N325-A329 WeakPolarHBondContact O-CB 3.35Å; N325-A329 PolarHBondContact O-N 2.94Å; L326-A329 PolarHBondContact O-N 3.34Å; H327-A329 PolarHBondContact O-N 3.14Å; A329-F331 VanDerWaalsContact C-N 3.31Å; A329-F331 PolarHBondContact O-N 3.17Å; A329-Y332 PolarHBondContact O-N 2.95Å; A329-C333 VanDerWaalsContact O-CB 3.26Å; A329-C333 WeakPolarHBondContact O-CB 3.28Å; A329-C333 PolarHBondContact O-N 2.91Å; A329-C333 PolarHBondContact O-SG 2.94Å
330A96.1Very high95.1Very high64 Ų6469.5 Ų69.553%0.52939%0.387SS..Hα-helixtrans-58.6-42.117700000112.1L326 H327 G334L326-A330 VanDerWaalsContact O-CB 3.31Å; L326-A330 WeakPolarHBondContact O-CB 3.22Å; L326-A330 PolarHBondContact O-N 3.18Å; H327-A330 PolarHBondContact O-N 2.88Å; A330-G334 PolarHBondContact O-N 2.78Å
331F96.2Very high94.8Very high49 Ų4967.4 Ų67.422%0.21537%0.373CS..Hα-helixtrans-59.6-54.5174.9168.8-105.6000112.1P292 A293 A296 H327 T328 A329 G334 L335P292-F331 HydrophobicContact CB-CE1 3.95Å; P292-F331 HydrophobicContact CB-CZ 4.41Å; A293-F331 HydrophobicContact CB-CB 3.74Å; A293-F331 HydrophobicContact CB-CD1 3.74Å; A293-F331 HydrophobicContact CB-CG 3.76Å; A296-F331 HydrophobicContact CB-CD2 3.72Å; A296-F331 HydrophobicContact CB-CE2 3.28Å; A296-F331 HydrophobicContact CB-CZ 4.04Å; H327-F331 WeakPolarHBondContact O-CB 3.35Å; H327-F331 PolarHBondContact O-N 3.04Å; T328-F331 PolarHBondContact O-N 2.71Å; A329-F331 VanDerWaalsContact C-N 3.31Å; A329-F331 PolarHBondContact O-N 3.17Å; F331-G334 PolarHBondContact O-N 3.09Å; F331-L335 HydrophobicContact CE2-CD1 4.45Å; F331-L335 HydrophobicContact CZ-CD1 4.03Å; F331-L335 WeakPolarHBondContact O-CB 3.5Å; F331-L335 PolarHBondContact O-N 3.46Å
332Y96.5Very high94.3Very high59 Ų5963.3 Ų63.323%0.23134%0.34CS..Hα-helixtrans-66.8-38.4-179.6-76.6-67.3000112.6L289 T328 A329 L335 I336L289-Y332 HydrophobicContact CB-CE2 4.28Å; L289-Y332 HydrophobicContact CD2-CE2 3.98Å; L289-Y332 WeakPolarHBondContact O-CE2 3.46Å; T328-Y332 HydrophobicContact CG2-CD2 3.84Å; T328-Y332 HydrophobicContact CG2-CE2 3.75Å; T328-Y332 VanDerWaalsContact O-CD2 3.26Å; T328-Y332 WeakPolarHBondContact O-CD2 3.25Å; T328-Y332 PolarHBondContact O-N 3Å; A329-Y332 PolarHBondContact O-N 2.95Å; Y332-L335 PolarHBondContact O-N 2.99Å; Y332-I336 WeakPolarHBondContact O-CB 3.44Å; Y332-I336 WeakPolarHBondContact O-CD1 3.29Å; Y332-I336 WeakPolarHBondContact O-CG1 3.39Å; Y332-I336 PolarHBondContact O-N 3.1Å
333C97.2Very high93.6Very high72 Ų7266.2 Ų66.249%0.48635%0.351SS..Hα-helixtrans-60.1-45.2172.6-73.40000111.5A329 I336 L337A329-C333 VanDerWaalsContact O-CB 3.26Å; A329-C333 WeakPolarHBondContact O-CB 3.28Å; A329-C333 PolarHBondContact O-N 2.91Å; A329-C333 PolarHBondContact O-SG 2.94Å; C333-I336 PolarHBondContact O-N 3.27Å; C333-L337 WeakPolarHBondContact O-CB 3.28Å; C333-L337 VanDerWaalsContact O-CG 3.23Å; C333-L337 WeakPolarHBondContact O-CG 3.3Å; C333-L337 PolarHBondContact O-N 3.08Å
334G95.6Very high92.6Very high29 Ų2966.2 Ų66.230%0.29935%0.351SS..Hα-helixtrans-60.9-45.3175.800000112.6A330 F331 L337 L338A330-G334 PolarHBondContact O-N 2.78Å; F331-G334 PolarHBondContact O-N 3.09Å; G334-L337 PolarHBondContact O-N 2.99Å; G334-L338 WeakPolarHBondContact O-CB 3.42Å; G334-L338 WeakPolarHBondContact O-CG 3.42Å; G334-L338 PolarHBondContact O-N 3.02Å
335L94.6Very high90.8Very high57 Ų5765.8 Ų65.830%0.29836%0.357SS..Hα-helixtrans-64.3-41.9177.8-171.9145.4000112F331 Y332 L338 A339F331-L335 HydrophobicContact CE2-CD1 4.45Å; F331-L335 HydrophobicContact CZ-CD1 4.03Å; F331-L335 WeakPolarHBondContact O-CB 3.5Å; F331-L335 PolarHBondContact O-N 3.46Å; Y332-L335 PolarHBondContact O-N 2.99Å; L335-L338 PolarHBondContact O-N 3.41Å; L335-A339 WeakPolarHBondContact O-CB 3.45Å; L335-A339 PolarHBondContact O-N 3.1Å
336I94.9Very high88.5Confident92 Ų9267 Ų6747%0.47237%0.37SS..Hα-helixtrans-63.3-45.2174-70.7165.1000110.7Y332 C333 L338 A339 L340Y332-I336 WeakPolarHBondContact O-CB 3.44Å; Y332-I336 WeakPolarHBondContact O-CD1 3.29Å; Y332-I336 WeakPolarHBondContact O-CG1 3.39Å; Y332-I336 PolarHBondContact O-N 3.1Å; C333-I336 PolarHBondContact O-N 3.27Å; I336-L338 PolarHBondContact O-N 3.04Å; I336-A339 PolarHBondContact O-N 2.82Å; I336-L340 HydrophobicContact CG2-CD1 3.81Å; I336-L340 HydrophobicContact CG2-CG 4.22Å; I336-L340 WeakPolarHBondContact O-CB 3.4Å; I336-L340 VanDerWaalsContact O-CG 3.25Å; I336-L340 WeakPolarHBondContact O-CG 3.45Å; I336-L340 PolarHBondContact O-N 3.01Å
337L95.1Very high85.9Confident119 Ų11967.3 Ų67.362%0.62338%0.378SS*.Hα-helixtrans-63.2-40.3178.5-73.7171000112.2C333 G334 F341C333-L337 WeakPolarHBondContact O-CB 3.28Å; C333-L337 VanDerWaalsContact O-CG 3.23Å; C333-L337 WeakPolarHBondContact O-CG 3.3Å; C333-L337 PolarHBondContact O-N 3.08Å; G334-L337 PolarHBondContact O-N 2.99Å; L337-F341 WeakPolarHBondContact O-CB 3.47Å; L337-F341 PolarHBondContact O-N 3.41Å
338L93Very high83.1Confident72 Ų7270.2 Ų70.238%0.37740%0.399SS..Hα-helixtrans-67.3-41.2174.7-72169.5000112.1G334 L335 I336 F341 G342 V409 L413 L449G334-L338 WeakPolarHBondContact O-CB 3.42Å; G334-L338 WeakPolarHBondContact O-CG 3.42Å; G334-L338 PolarHBondContact O-N 3.02Å; L335-L338 PolarHBondContact O-N 3.41Å; I336-L338 PolarHBondContact O-N 3.04Å; L338-F341 PolarHBondContact O-N 3.22Å; L338-G342 PolarHBondContact O-N 2.89Å; L338-V409 HydrophobicContact CB-CG1 4.32Å; L338-V409 WeakPolarHBondContact O-CG1 3.24Å; L338-L413 HydrophobicContact CB-CD1 3.97Å; L338-L413 HydrophobicContact CB-CD2 4.49Å; L338-L449 HydrophobicContact CD1-CD2 4.33Å
339A90.7Very high80.1Confident21 Ų2174.6 Ų74.617%0.17444%0.436CS..Hα-helixtrans-62.7-47.7174.200000111.2L335 I336 F341 G342 F343 L413L335-A339 WeakPolarHBondContact O-CB 3.45Å; L335-A339 PolarHBondContact O-N 3.1Å; I336-A339 PolarHBondContact O-N 2.82Å; A339-F341 VanDerWaalsContact C-N 3.31Å; A339-F341 PolarHBondContact O-N 2.87Å; A339-G342 PolarHBondContact O-N 2.79Å; A339-G342 VanDerWaalsContact O-N 3.17Å; A339-F343 HydrophobicContact CB-CD2 4.48Å; A339-F343 HydrophobicContact CB-CE2 4.07Å; A339-F343 WeakPolarHBondContact O-CB 3.5Å; A339-F343 WeakPolarHBondContact O-CD2 3.48Å; A339-F343 WeakPolarHBondContact O-CG 3.29Å; A339-F343 PolarHBondContact O-N 2.7Å; A339-L413 HydrophobicContact CB-CD1 4.19Å
340L90.4Very high76.8Confident82 Ų8276.1 Ų76.143%0.42945%0.449SS..Hα-helixtrans-59.7-39174.9-72174.3000112I336 F343 R344I336-L340 HydrophobicContact CG2-CD1 3.81Å; I336-L340 HydrophobicContact CG2-CG 4.22Å; I336-L340 WeakPolarHBondContact O-CB 3.4Å; I336-L340 VanDerWaalsContact O-CG 3.25Å; I336-L340 WeakPolarHBondContact O-CG 3.45Å; I336-L340 PolarHBondContact O-N 3.01Å; L340-F343 PolarHBondContact O-N 3.32Å; L340-R344 WeakPolarHBondContact O-CB 3.25Å; L340-R344 VanDerWaalsContact O-CG 3.24Å; L340-R344 WeakPolarHBondContact O-CG 3.5Å; L340-R344 PolarHBondContact O-N 2.91Å
341F89.6Confident73.4Confident78 Ų7881.4 Ų81.434%0.34246%0.46SS..Hα-helixtrans-62.4-49.4172.4174.1-95.4000111.6L337 L338 A339 F343 R344 T405 E406 V409L337-F341 WeakPolarHBondContact O-CB 3.47Å; L337-F341 PolarHBondContact O-N 3.41Å; L338-F341 PolarHBondContact O-N 3.22Å; A339-F341 VanDerWaalsContact C-N 3.31Å; A339-F341 PolarHBondContact O-N 2.87Å; F341-F343 PolarHBondContact O-N 3.45Å; F341-R344 PolarHBondContact O-N 3.44Å; F341-R344 VanDerWaalsContact O-N 3.16Å; F341-T405 HydrophobicContact CE1-CG2 4.37Å; F341-E406 HydrophobicContact CE1-CG 4.34Å; F341-E406 HydrophobicContact CZ-CG 4.34Å; F341-V409 HydrophobicContact CD1-CB 4.4Å; F341-V409 HydrophobicContact CD1-CG1 4.41Å; F341-V409 HydrophobicContact CD1-CG2 4.05Å; F341-V409 HydrophobicContact CE1-CG2 4.01Å
342G84.6Confident70.2Confident8 Ų887.8 Ų87.88%0.08249%0.491CS..Hα-helixtrans-60.5-25.917600000113.9L338 A339 E406 V410L338-G342 PolarHBondContact O-N 2.89Å; A339-G342 PolarHBondContact O-N 2.79Å; A339-G342 VanDerWaalsContact O-N 3.17Å; G342-E406 WeakPolarHBondContact CA-O 3.39Å; G342-V410 VanDerWaalsContact C-CG2 3.48Å; G342-V410 WeakPolarHBondContact O-CG2 3.36Å
343F82.6Confident66.8Low93 Ų9390.5 Ų90.541%0.40851%0.513SS..Hα-helixtrans-91.4-19.1178-58.9-25.4000114.1V223 A339 L340 F341 G345 V410V223-F343 HydrophobicContact CG2-CB 3.7Å; V223-F343 HydrophobicContact CG2-CD1 3.11Å; V223-F343 HydrophobicContact CG2-CD2 4.02Å; V223-F343 HydrophobicContact CG2-CE1 3.61Å; V223-F343 HydrophobicContact CG2-CE2 4.43Å; V223-F343 HydrophobicContact CG2-CG 3.35Å; V223-F343 HydrophobicContact CG2-CZ 4.25Å; A339-F343 HydrophobicContact CB-CD2 4.48Å; A339-F343 HydrophobicContact CB-CE2 4.07Å; A339-F343 WeakPolarHBondContact O-CB 3.5Å; A339-F343 WeakPolarHBondContact O-CD2 3.48Å; A339-F343 WeakPolarHBondContact O-CG 3.29Å; A339-F343 PolarHBondContact O-N 2.7Å; L340-F343 PolarHBondContact O-N 3.32Å; F341-F343 PolarHBondContact O-N 3.45Å; F343-G345 VanDerWaalsContact C-N 3.29Å; F343-G345 PolarHBondContact O-N 3.49Å; F343-V410 HydrophobicContact CD1-CG2 3.56Å; F343-V410 HydrophobicContact CE1-CB 4.39Å; F343-V410 HydrophobicContact CE1-CG1 3.88Å; F343-V410 HydrophobicContact CE1-CG2 3.56Å
344R74.9Confident63.4Low186 Ų18694.8 Ų94.870%0.70253%0.532SS*.SBendtrans-74.777.8169.4-78.2171.7-178.3-1692110L340 F341 A346L340-R344 WeakPolarHBondContact O-CB 3.25Å; L340-R344 VanDerWaalsContact O-CG 3.24Å; L340-R344 WeakPolarHBondContact O-CG 3.5Å; L340-R344 PolarHBondContact O-N 2.91Å; F341-R344 PolarHBondContact O-N 3.44Å; F341-R344 VanDerWaalsContact O-N 3.16Å; R344-A346 PolarHBondContact O-N 2.91Å
345G57.2Low60.2Low23 Ų2396.7 Ų96.724%0.23755%0.551CS.*  trans-54.3138.5-179.800000113.3F343 T347F343-G345 VanDerWaalsContact C-N 3.29Å; F343-G345 PolarHBondContact O-N 3.49Å; G345-T347 PolarHBondContact O-N 3.32Å
346A48.2Very low57Low49 Ų49104 Ų10441%0.40558%0.58SS.*  trans-30.3115.3-170.600000115.8R344 V348 E406R344-A346 PolarHBondContact O-N 2.91Å; A346-V348 VanDerWaalsContact C-N 3.27Å; A346-V348 PolarHBondContact O-N 2.94Å; A346-E406 WeakPolarHBondContact CA-OE1 3.37Å; A346-E406 PolarHBondContact N-OE1 2.9Å
347T40.5Very low53.8Low142 Ų142104.3 Ų104.387%0.87159%0.591SS**  trans-80.571.1170.952.40000110.8G345G345-T347 PolarHBondContact O-N 3.32Å
348V34.7Very low50.5Low118 Ų118107.5 Ų107.572%0.71560%0.602SS**  trans-126.2104.3157-177.30000107.5A346 A350A346-V348 VanDerWaalsContact C-N 3.27Å; A346-V348 PolarHBondContact O-N 2.94Å; V348-A350 HydrophobicContact CG1-CB 4.46Å; V348-A350 PolarHBondContact O-N 2.85Å
349A32.4Very low47.7Very low102 Ų102112.3 Ų112.384%0.84363%0.628SS**  trans-6982.7159.400000107.6K351A349-K351 PolarHBondContact O-N 3.37Å
350A28Very low44.6Very low83 Ų83116.1 Ų116.169%0.68666%0.659SS**  trans-66.694.8163.200000106.2V348 E352V348-A350 HydrophobicContact CG1-CB 4.46Å; V348-A350 PolarHBondContact O-N 2.85Å; A350-E352 PolarHBondContact O-N 3.24Å; A350-E352 VanDerWaalsContact O-N 3.1Å
351K25.6Very low41.7Very low175 Ų175120.3 Ų120.376%0.76168%0.682SS**  trans-51.8115-179.9-162.7178.4-170.8-179.20108.2A349 T353A349-K351 PolarHBondContact O-N 3.37Å; K351-T353 PolarHBondContact O-N 3.09Å; K351-T353 PolarHBondContact O-OG1 3.2Å
352E28.1Very low38.7Very low184 Ų184120.1 Ų120.186%0.8670%0.702SS**  trans-57.1105.2169-75.1-175.2152.100107.7A350A350-E352 PolarHBondContact O-N 3.24Å; A350-E352 VanDerWaalsContact O-N 3.1Å
353T25.3Very low36Very low116 Ų116129.8 Ų129.871%0.71274%0.741SS**  trans-113.988.3166.834.30000105.5K351 G355K351-T353 PolarHBondContact O-N 3.09Å; K351-T353 PolarHBondContact O-OG1 3.2Å; T353-G355 PolarHBondContact O-N 3.45Å
354N26.3Very low33.2Very low162 Ų162131 Ų13187%0.86676%0.761SS**  trans-52.5133.3165.7-91.8-33.3000108.3
355G28.5Very low30.9Very low69 Ų69127.7 Ų127.771%0.71176%0.762SS**  trans-70.2159.6-162.100000114.1T353T353-G355 PolarHBondContact O-N 3.45Å
356K25.6Very low29.6Very low209 Ų209132.2 Ų132.291%0.90979%0.785SS**  trans-143.1147.6137-105164-174.6-179.50108.4
357S29.7Very low28.7Very low100 Ų100137.4 Ų137.470%0.69981%0.806SS**  trans-47144.3177.948.50000113.7
358H25.7Very low28.1Very low185 Ų185133.6 Ų133.686%0.85680%0.795SS**  -156.5129.2126.6-98.9-68.9000110.9
359L32.4Very low27.9Very low174 Ų174136.4 Ų136.491%0.91181%0.806SS**  trans-65.5130157.8-107.972000108.2
360A27.2Very low27.7Very low100 Ų100134.9 Ų134.983%0.82680%0.8SS**  trans-153.5137.4157.100000110.1
361N28Very low27.6Very low171 Ų171142.4 Ų142.491%0.91481%0.813SS**  trans-89.8143.5-174.5-157.1-3.6000110.2
362G27.4Very low27.7Very low74 Ų74142.9 Ų142.976%0.76382%0.817SS**  trans179111.4-179.600000114.9
363K27.6Very low27.6Very low210 Ų210138.4 Ų138.491%0.91381%0.811SS**  trans-78.4149.5-171.5-66.2167.1172.7173.70114.5
364S24Very low28Very low118 Ų118138.3 Ų138.383%0.82581%0.813SS**  trans164135143.8175.20000111
365V26.5Very low28Very low117 Ų117138.4 Ų138.471%0.70981%0.814SS**  cis-163.7140.5-24.7100.30000109.2
366T29Very low28Very low118 Ų118139.5 Ų139.572%0.72482%0.816SS**  trans45.8148161.365.60000121.7
367N30.3Very low28.1Very low159 Ų159137 Ų13785%0.8581%0.812SS**  cis-146.2165.711.2-87.4-41.1000107.2
368G28.7Very low28Very low62 Ų62141.4 Ų141.464%0.63982%0.822SS**  cis154.7152.82.600000110.6
369N28.9Very low28.1Very low176 Ų176139.9 Ų139.994%0.94182%0.82SS**  trans85.3107.7170.8-59.43.1000119.6
370G28.7Very low27.9Very low71 Ų71138.8 Ų138.873%0.73282%0.821SS**  trans-159.2119.4154.900000107.7
371Y26.3Very low28Very low241 Ų241140.9 Ų140.995%0.94582%0.818SS**  trans-68143.5-175.6-94.3-109.7000111.9
372H26.8Very low28Very low185 Ų185140.2 Ų140.286%0.85681%0.814SS**  trans-94.4141.9165.9-89.1-80.2000110.9
373A27.1Very low28.3Very low89 Ų89142 Ų14274%0.73681%0.812SS**  trans-113.4140.5148.900000107.3
374P32.6Very low28.5Very low115 Ų115141.6 Ų141.675%0.74781%0.81SS**  trans-88.5152.817735.7-32.6000111.1
375D27.2Very low29Very low164 Ų164141.7 Ų141.788%0.87781%0.808SS**  -165.9146.1129.8-106.9-28.6000115.3
376A27.9Very low29.3Very low92 Ų92142.3 Ų142.376%0.7681%0.812SS**  trans46.3114.9155.900000122.8
377N27.7Very low29.4Very low155 Ų155144.3 Ų144.383%0.82982%0.817SS**  trans-49.3153153.4-67.3-39.5000114.3
378Q28.6Very low29.3Very low193 Ų193143.6 Ų143.690%0.90281%0.814SS**  -165.9143.6111.7-104.6171.519.700113
379N27.6Very low29.6Very low154 Ų154144.8 Ų144.882%0.82483%0.826SS**  trans-82.7156.4173.9-68.4-31.3000111.2
380T28.8Very low29.5Very low151 Ų151141.6 Ų141.693%0.92682%0.818SS**  -171.5152.9128.616.90000111.7
381D28.7Very low29.5Very low143 Ų143143 Ų14377%0.76582%0.822SS**  trans-93144.1-170.6-70.4-76.7000115.1
382L26.9Very low29.6Very low157 Ų157136.8 Ų136.882%0.82281%0.809SS**  trans57.7162.7146.6-73.7157000120.1
383P34.7Very low29.6Very low111 Ų111133.3 Ų133.372%0.72180%0.803SS**  cis-121.3176.6-19.734.6-17.2000113.4
384K31.9Very low29.4Very low202 Ų202137.6 Ų137.688%0.87881%0.807SS**  trans-64.9151.9172.9-68.3172.9177.71710111.9
385P33.6Very low29.1Very low121 Ų121142.1 Ų142.179%0.78681%0.809SS**  -130162.3110.932.6-22.2000114.6
386T33.5Very low28.9Very low130 Ų130140.1 Ų140.180%0.79881%0.807SS**  trans-46.6134.5175.945.60000115.5
387L30.3Very low28.8Very low159 Ų159144.4 Ų144.483%0.83281%0.805SS**  trans-153.4133.1137-136.681.4000112.7
388N28.7Very low28.8Very low145 Ų145140.8 Ų140.878%0.77579%0.791SS**  trans18.3117.3158.3-62.5-18.9000120
389G34.8Very low29Very low87 Ų87140.3 Ų140.390%0.89779%0.789SS**  trans-71.6128.7174.800000114
390S26.8Very low30.2Very low109 Ų109138.8 Ų138.876%0.76279%0.785SS**  trans-111.483.9154.249.80000108.3V392S390-V392 VanDerWaalsContact C-N 3.3Å; S390-V392 PolarHBondContact O-N 3.43Å
391A29.4Very low32.1Very low99 Ų99136.1 Ų136.182%0.81877%0.773SS**  trans-68.987.417700000110.3P393A391-P393 VanDerWaalsContact O-CD 3.28Å; A391-P393 WeakPolarHBondContact O-CD 3.24Å; A391-P393 VanDerWaalsContact O-N 3.16Å
392V27.2Very low34.7Very low112 Ų112132.9 Ų132.968%0.67976%0.755SS**  trans-57.1116.9170.3177.50000107.8S390 H394S390-V392 VanDerWaalsContact C-N 3.3Å; S390-V392 PolarHBondContact O-N 3.43Å; V392-H394 PolarHBondContact O-N 3.16Å
393P27.6Very low37.6Very low112 Ų112126 Ų12673%0.72772%0.72SS**  trans-75.393.3-179.430-32.7000108.6A391 R395A391-P393 VanDerWaalsContact O-CD 3.28Å; A391-P393 WeakPolarHBondContact O-CD 3.24Å; A391-P393 VanDerWaalsContact O-N 3.16Å; P393-R395 PolarHBondContact O-N 3.33Å
394H23.8Very low40.2Very low178 Ų178123 Ų12382%0.82470%0.7SS**  trans-52.3107.6164.5-87.4-79.4000108.3V392 C396V392-H394 PolarHBondContact O-N 3.16Å; H394-C396 PolarHBondContact O-N 3.16Å
395R25.5Very low43Very low210 Ų210115.5 Ų115.579%0.79267%0.672SS**  trans-65.687.2173.4-81.5-175.3175.1171.32.6108.6P393 Y397P393-R395 PolarHBondContact O-N 3.33Å; R395-Y397 VanDerWaalsContact C-N 3.32Å; R395-Y397 HydrophobicContact CB-CE2 4.43Å; R395-Y397 WeakPolarHBondContact O-CD2 3.48Å; R395-Y397 PolarHBondContact O-N 2.97Å
396C22.6Very low45.7Very low122 Ų122111.4 Ų111.482%0.82464%0.642SS**  trans-63.797.6166.2-168.40000107.6H394 S398H394-C396 PolarHBondContact O-N 3.16Å; C396-S398 PolarHBondContact O-N 2.92Å
397Y25.4Very low48.4Very low182 Ų182105.7 Ų105.771%0.71461%0.607SS**  trans-63.3100.1174-89.1-95.1000108R395 H399R395-Y397 VanDerWaalsContact C-N 3.32Å; R395-Y397 HydrophobicContact CB-CE2 4.43Å; R395-Y397 WeakPolarHBondContact O-CD2 3.48Å; R395-Y397 PolarHBondContact O-N 2.97Å; Y397-H399 PolarHBondContact O-N 3.31Å
398S29.3Very low51.5Low79 Ų7998.2 Ų98.255%0.55257%0.568SS**  trans-63.3106.6174.959.20000109.2C396 T400C396-S398 PolarHBondContact O-N 2.92Å; S398-T400 PolarHBondContact O-N 3.02Å
399H32.2Very low54.6Low184 Ų18491.6 Ų91.685%0.85253%0.533SS*.  trans-59.6106171.7-83.9-100000108.8Y397 S401Y397-H399 PolarHBondContact O-N 3.31Å; H399-S401 PolarHBondContact O-N 3.42Å; H399-S401 VanDerWaalsContact O-N 3.15Å
400T52.3Low57.5Low122 Ų12288 Ų8875%0.74849%0.494SS*.  trans-62.3114.8170.145.40000108.5S398 L402S398-T400 PolarHBondContact O-N 3.02Å; T400-L402 PolarHBondContact O-N 3.3Å
401S69.5Low60.7Low94 Ų9482.8 Ų82.866%0.65746%0.457SS*.PPolyproline II helixtrans-59.8135.4177.458.10000110.4K220 H399K220-S401 PolarHBondContact NZ-O 3.34Å; K220-S401 PolarHBondContact NZ-OG 2.99Å; H399-S401 PolarHBondContact O-N 3.42Å; H399-S401 VanDerWaalsContact O-N 3.15Å
402L83.1Confident64Low75 Ų7578.1 Ų78.139%0.39342%0.418SS..PPolyproline II helixtrans-52.9151.3-178.8-70173000111.3K220 T400K220-L402 PolarHBondContact NZ-O 3.46Å; T400-L402 PolarHBondContact O-N 3.3Å
403P86.6Confident67.3Low14 Ų1473.8 Ų73.89%0.09139%0.391CS..PPolyproline II helixtrans-58.3145.4170.7-20.332.5000110.9L109 V217 L408L109-P403 HydrophobicContact CD2-CG 4.36Å; L109-P403 WeakPolarHBondContact O-CD 3.28Å; V217-P403 HydrophobicContact CG1-CB 4Å; V217-P403 HydrophobicContact CG1-CG 3.52Å; P403-L408 HydrophobicContact CB-CD2 3.8Å; P403-L408 HydrophobicContact CB-CG 4.1Å; P403-L408 HydrophobicContact CG-CD2 4.07Å
404P89.5Confident70.6Confident47 Ų4768.9 Ų68.931%0.30536%0.362SS..PPolyproline II helixtrans-69.5154.7173.233-36000110.2E406 S407 L408P404-E406 WeakPolarHBondContact CB-OE2 3.48Å; P404-E406 PolarHBondContact O-N 3.44Å; P404-S407 WeakPolarHBondContact CG-OG 3.35Å; P404-S407 WeakPolarHBondContact O-CB 3.26Å; P404-S407 PolarHBondContact O-N 3.19Å; P404-S407 VanDerWaalsContact O-N 3.1Å; P404-L408 PolarHBondContact O-N 3.23Å; P404-L408 VanDerWaalsContact O-N 3.13Å
405T90.8Very high74.1Confident45 Ų4560.5 Ų60.528%0.27632%0.323SS..Hα-helixtrans-56.6-36.6-174.2-51.40000112.3F341 L408 V409 T452 T456F341-T405 HydrophobicContact CE1-CG2 4.37Å; T405-L408 WeakPolarHBondContact O-CB 3.27Å; T405-L408 PolarHBondContact O-N 3.37Å; T405-V409 WeakPolarHBondContact O-CG2 3.27Å; T405-V409 PolarHBondContact O-N 3.44Å; T405-T452 HydrophobicContact CG2-CG2 3.82Å; T405-T456 WeakPolarHBondContact CG2-OG1 3.39Å
406E90.9Very high77.5Confident34 Ų3452.3 Ų52.316%0.15930%0.295CS..Hα-helixtrans-63.4-45.5179.5-56.589.4158.100111F341 G342 A346 P404 L408 V409 V410F341-E406 HydrophobicContact CE1-CG 4.34Å; F341-E406 HydrophobicContact CZ-CG 4.34Å; G342-E406 WeakPolarHBondContact CA-O 3.39Å; A346-E406 WeakPolarHBondContact CA-OE1 3.37Å; A346-E406 PolarHBondContact N-OE1 2.9Å; P404-E406 WeakPolarHBondContact CB-OE2 3.48Å; P404-E406 PolarHBondContact O-N 3.44Å; E406-L408 VanDerWaalsContact C-N 3.31Å; E406-L408 PolarHBondContact O-N 3.08Å; E406-V409 PolarHBondContact O-N 2.97Å; E406-V410 WeakPolarHBondContact O-CG2 3.42Å; E406-V410 PolarHBondContact O-N 3.29Å
407S91.1Very high81.1Confident11 Ų1148.4 Ų48.48%0.07727%0.271CS..Hα-helixtrans-61.6-37.1172.8-67.80000112.8F216 P404 F411F216-S407 WeakPolarHBondContact O-CB 3.16Å; F216-S407 PolarHBondContact O-OG 2.91Å; P404-S407 WeakPolarHBondContact CG-OG 3.35Å; P404-S407 WeakPolarHBondContact O-CB 3.26Å; P404-S407 PolarHBondContact O-N 3.19Å; P404-S407 VanDerWaalsContact O-N 3.1Å; S407-F411 WeakPolarHBondContact O-CB 3.45Å; S407-F411 PolarHBondContact O-N 3.43Å
408L93.4Very high84.5Confident1 Ų141.9 Ų41.91%0.00525%0.248CC..Hα-helixtrans-66.7-40176.3-65.7178.8000111.5L109 L110 P403 P404 T405 E406 F411 S412 T452L109-L408 HydrophobicContact CB-CD2 3.77Å; L109-L408 HydrophobicContact CD2-CD2 3.95Å; L109-L408 HydrophobicContact CG-CD2 4.37Å; L110-L408 HydrophobicContact CD2-CD1 3.88Å; P403-L408 HydrophobicContact CB-CD2 3.8Å; P403-L408 HydrophobicContact CB-CG 4.1Å; P403-L408 HydrophobicContact CG-CD2 4.07Å; P404-L408 PolarHBondContact O-N 3.23Å; P404-L408 VanDerWaalsContact O-N 3.13Å; T405-L408 WeakPolarHBondContact O-CB 3.27Å; T405-L408 PolarHBondContact O-N 3.37Å; E406-L408 VanDerWaalsContact C-N 3.31Å; E406-L408 PolarHBondContact O-N 3.08Å; L408-F411 PolarHBondContact O-N 3.39Å; L408-S412 VanDerWaalsContact O-CB 3.26Å; L408-S412 WeakPolarHBondContact O-CB 3.33Å; L408-S412 PolarHBondContact O-N 2.96Å; L408-S412 PolarHBondContact O-OG 2.88Å; L408-T452 HydrophobicContact CB-CG2 3.99Å; L408-T452 HydrophobicContact CD1-CG2 4.23Å
409V95.2Very high87.6Confident7 Ų738.1 Ų38.14%0.04222%0.222CC..Hα-helixtrans-64-47.8174.5172.90000110.8L338 F341 T405 E406 F411 S412 L413 L449L338-V409 HydrophobicContact CB-CG1 4.32Å; L338-V409 WeakPolarHBondContact O-CG1 3.24Å; F341-V409 HydrophobicContact CD1-CB 4.4Å; F341-V409 HydrophobicContact CD1-CG1 4.41Å; F341-V409 HydrophobicContact CD1-CG2 4.05Å; F341-V409 HydrophobicContact CE1-CG2 4.01Å; T405-V409 WeakPolarHBondContact O-CG2 3.27Å; T405-V409 PolarHBondContact O-N 3.44Å; E406-V409 PolarHBondContact O-N 2.97Å; V409-F411 VanDerWaalsContact C-N 3.35Å; V409-F411 PolarHBondContact O-N 3.17Å; V409-S412 PolarHBondContact O-N 3.43Å; V409-L413 HydrophobicContact CG1-CD1 3.93Å; V409-L413 HydrophobicContact CG1-CG 4.33Å; V409-L413 WeakPolarHBondContact O-CB 3.33Å; V409-L413 VanDerWaalsContact O-CG 3.31Å; V409-L413 WeakPolarHBondContact O-CG 3.37Å; V409-L413 PolarHBondContact O-N 3.15Å; V409-L449 HydrophobicContact CB-CD1 4.43Å; V409-L449 HydrophobicContact CG1-CD1 4.23Å; V409-L449 HydrophobicContact CG2-CD1 4.05Å
410V94.5Very high90.6Very high11 Ų1130.4 Ų30.47%0.06719%0.186CC..Hα-helixtrans-58.4-46.1176.81760000111.6V212 F216 G342 F343 E406 G414V212-V410 HydrophobicContact CG1-CG1 4.27Å; F216-V410 HydrophobicContact CB-CB 4.47Å; F216-V410 HydrophobicContact CB-CG1 4.13Å; F216-V410 HydrophobicContact CD1-CG1 4.15Å; F216-V410 HydrophobicContact CD2-CG1 3.66Å; F216-V410 HydrophobicContact CE2-CG1 4.08Å; F216-V410 HydrophobicContact CG-CB 4.44Å; F216-V410 HydrophobicContact CG-CG1 3.7Å; F216-V410 HydrophobicContact CZ-CG1 4.49Å; G342-V410 VanDerWaalsContact C-CG2 3.48Å; G342-V410 WeakPolarHBondContact O-CG2 3.36Å; F343-V410 HydrophobicContact CD1-CG2 3.56Å; F343-V410 HydrophobicContact CE1-CB 4.39Å; F343-V410 HydrophobicContact CE1-CG1 3.88Å; F343-V410 HydrophobicContact CE1-CG2 3.56Å; E406-V410 WeakPolarHBondContact O-CG2 3.42Å; E406-V410 PolarHBondContact O-N 3.29Å; V410-G414 PolarHBondContact O-N 2.88Å
411F95.7Very high92.6Very high0 Ų027.7 Ų27.70%017%0.166CC..Hα-helixtrans-64.5-44.4178.7175.6-101.5000112.2L105 L109 L152 V209 V212 Y213 V217 S407 L408 V409 L413 G414 V415 I448L105-F411 HydrophobicContact CD2-CZ 4.43Å; L109-F411 HydrophobicContact CD1-CD1 3.8Å; L109-F411 HydrophobicContact CD1-CE1 3.5Å; L109-F411 VanDerWaalsContact CD1-CE1 3.5Å; L109-F411 HydrophobicContact CD1-CZ 4.48Å; L109-F411 HydrophobicContact CD2-CD1 4.42Å; L152-F411 HydrophobicContact CD2-CE2 4.38Å; L152-F411 HydrophobicContact CD2-CZ 3.89Å; V209-F411 HydrophobicContact CG1-CE2 3.91Å; V209-F411 HydrophobicContact CG1-CZ 4.39Å; V212-F411 HydrophobicContact CG1-CD2 4.43Å; Y213-F411 HydrophobicContact CD2-CD2 4.32Å; Y213-F411 HydrophobicContact CD2-CE2 4.05Å; Y213-F411 HydrophobicContact CG-CE2 4.47Å; V217-F411 HydrophobicContact CG2-CB 3.54Å; V217-F411 HydrophobicContact CG2-CD2 3.92Å; V217-F411 HydrophobicContact CG2-CG 3.73Å; S407-F411 WeakPolarHBondContact O-CB 3.45Å; S407-F411 PolarHBondContact O-N 3.43Å; L408-F411 PolarHBondContact O-N 3.39Å; V409-F411 VanDerWaalsContact C-N 3.35Å; V409-F411 PolarHBondContact O-N 3.17Å; F411-L413 PolarHBondContact O-N 2.96Å; F411-G414 WeakPolarHBondContact O-CA 3.01Å; F411-G414 PolarHBondContact O-N 3.18Å; F411-G414 VanDerWaalsContact O-N 3.09Å; F411-V415 HydrophobicContact CD1-CG2 4.33Å; F411-V415 HydrophobicContact CD2-CG2 4.4Å; F411-V415 HydrophobicContact CE1-CG2 3.72Å; F411-V415 HydrophobicContact CE2-CG2 3.79Å; F411-V415 HydrophobicContact CZ-CG2 3.41Å; F411-V415 VanDerWaalsContact CZ-CG2 3.41Å; F411-V415 WeakPolarHBondContact O-CG2 3.31Å; F411-V415 PolarHBondContact O-N 2.95Å; F411-I448 HydrophobicContact CE1-CD1 4.37Å
412S97.4Very high93.5Very high0 Ų024.9 Ų24.90%015%0.146CC..Hα-helixtrans-63.9-41.8179.6-54.80000111.9L408 V409 G414 V415 L416 G445 I448L408-S412 VanDerWaalsContact O-CB 3.26Å; L408-S412 WeakPolarHBondContact O-CB 3.33Å; L408-S412 PolarHBondContact O-N 2.96Å; L408-S412 PolarHBondContact O-OG 2.88Å; V409-S412 PolarHBondContact O-N 3.43Å; S412-G414 VanDerWaalsContact C-N 3.32Å; S412-G414 PolarHBondContact O-N 3.48Å; S412-V415 PolarHBondContact O-N 3.41Å; S412-L416 VanDerWaalsContact O-CB 3.29Å; S412-L416 WeakPolarHBondContact O-CB 3.43Å; S412-L416 PolarHBondContact O-N 3.24Å; S412-G445 WeakPolarHBondContact CB-O 3.3Å; S412-G445 WeakPolarHBondContact O-CA 3.38Å; S412-I448 WeakPolarHBondContact OG-CG2 3.35Å
413L96.9Very high93.8Very high21 Ų2121.5 Ų21.511%0.1113%0.128CC..Hα-helixtrans-64.1-35.9171.6-69.2175.1000112L338 A339 V409 F411 L416 A417 L449L338-L413 HydrophobicContact CB-CD1 3.97Å; L338-L413 HydrophobicContact CB-CD2 4.49Å; A339-L413 HydrophobicContact CB-CD1 4.19Å; V409-L413 HydrophobicContact CG1-CD1 3.93Å; V409-L413 HydrophobicContact CG1-CG 4.33Å; V409-L413 WeakPolarHBondContact O-CB 3.33Å; V409-L413 VanDerWaalsContact O-CG 3.31Å; V409-L413 WeakPolarHBondContact O-CG 3.37Å; V409-L413 PolarHBondContact O-N 3.15Å; F411-L413 PolarHBondContact O-N 2.96Å; L413-L416 HydrophobicContact CD2-CD2 4.5Å; L413-L416 PolarHBondContact O-N 2.94Å; L413-A417 VanDerWaalsContact O-CB 3.24Å; L413-A417 WeakPolarHBondContact O-CB 3.45Å; L413-A417 PolarHBondContact O-N 3.22Å; L413-L449 HydrophobicContact CD2-CD2 4.23Å
414G97Very high94.1Very high10 Ų1021.3 Ų21.310%0.10313%0.127CC..Hα-helixtrans-62.6-46.2174.200000112.9V410 F411 S412 L416 L418V410-G414 PolarHBondContact O-N 2.88Å; F411-G414 WeakPolarHBondContact O-CA 3.01Å; F411-G414 PolarHBondContact O-N 3.18Å; F411-G414 VanDerWaalsContact O-N 3.09Å; S412-G414 VanDerWaalsContact C-N 3.32Å; S412-G414 PolarHBondContact O-N 3.48Å; G414-L416 VanDerWaalsContact C-N 3.35Å; G414-L418 VanDerWaalsContact O-CB 3.25Å; G414-L418 WeakPolarHBondContact O-CB 3.21Å; G414-L418 VanDerWaalsContact O-CG 3.31Å; G414-L418 WeakPolarHBondContact O-CG 3.49Å; G414-L418 PolarHBondContact O-N 3.33Å
415V97.9Very high94.1Very high2 Ų219.1 Ų19.11%0.01211%0.113CC..Hα-helixtrans-67.7-34.4175.5-179.50000111.8V209 F411 S412 P419 I444V209-V415 HydrophobicContact CG1-CG2 3.7Å; F411-V415 HydrophobicContact CD1-CG2 4.33Å; F411-V415 HydrophobicContact CD2-CG2 4.4Å; F411-V415 HydrophobicContact CE1-CG2 3.72Å; F411-V415 HydrophobicContact CE2-CG2 3.79Å; F411-V415 HydrophobicContact CZ-CG2 3.41Å; F411-V415 VanDerWaalsContact CZ-CG2 3.41Å; F411-V415 WeakPolarHBondContact O-CG2 3.31Å; F411-V415 PolarHBondContact O-N 2.95Å; S412-V415 PolarHBondContact O-N 3.41Å; V415-P419 WeakPolarHBondContact O-CD 3.28Å; V415-P419 VanDerWaalsContact O-CG 3.31Å; V415-P419 WeakPolarHBondContact O-CG 3.4Å; V415-I444 HydrophobicContact CG1-CB 3.88Å; V415-I444 HydrophobicContact CG1-CG2 4.11Å
416L97.1Very high94Very high38 Ų3820.4 Ų20.420%0.19912%0.118CC..Hα-helixtrans-70.3-47.1177.1-179.164000112.1L299 S412 L413 G414 P442L299-L416 HydrophobicContact CD1-CD1 3.77Å; S412-L416 VanDerWaalsContact O-CB 3.29Å; S412-L416 WeakPolarHBondContact O-CB 3.43Å; S412-L416 PolarHBondContact O-N 3.24Å; L413-L416 HydrophobicContact CD2-CD2 4.5Å; L413-L416 PolarHBondContact O-N 2.94Å; G414-L416 VanDerWaalsContact C-N 3.35Å; L416-P442 HydrophobicContact CD1-CB 4.07Å; L416-P442 WeakPolarHBondContact CD1-O 3.48Å; L416-P442 WeakPolarHBondContact O-CB 3.3Å
417A96.4Very high93.7Very high40 Ų4026 Ų2633%0.33114%0.142SC..Hα-helixtrans-88.8-46.3-170.300000113.7L413 F420 I421L413-A417 VanDerWaalsContact O-CB 3.24Å; L413-A417 WeakPolarHBondContact O-CB 3.45Å; L413-A417 PolarHBondContact O-N 3.22Å; A417-F420 PolarHBondContact O-N 3.13Å; A417-I421 WeakPolarHBondContact O-CG1 3.45Å; A417-I421 PolarHBondContact O-N 3.26Å
418L96.7Very high93.4Very high44 Ų4430.9 Ų30.923%0.2316%0.162CC..THydrogen-bonded Turntrans-61.6-43.7-170.2-64.6169.4000113.5A208 V209 V212 G414 F420 I421A208-L418 HydrophobicContact CB-CD1 3.95Å; V209-L418 HydrophobicContact CG2-CB 4.13Å; V209-L418 HydrophobicContact CG2-CD1 3.9Å; V212-L418 HydrophobicContact CG2-CD1 3.86Å; G414-L418 VanDerWaalsContact O-CB 3.25Å; G414-L418 WeakPolarHBondContact O-CB 3.21Å; G414-L418 VanDerWaalsContact O-CG 3.31Å; G414-L418 WeakPolarHBondContact O-CG 3.49Å; G414-L418 PolarHBondContact O-N 3.33Å; L418-F420 VanDerWaalsContact C-N 3.27Å; L418-F420 PolarHBondContact O-N 3.4Å; L418-I421 HydrophobicContact CD2-CD1 4.02Å
419P96.1Very high93Very high0 Ų036.3 Ų36.30%018%0.183CC..THydrogen-bonded Turntrans-70.4-23.5175.5-18.134.4000113.2F148 Q202 T205 V415 P422 I441 P442F148-P419 HydrophobicContact CE2-CG 4.12Å; F148-P419 HydrophobicContact CZ-CG 3.96Å; Q202-P419 PolarHBondContact NE2-O 2.95Å; T205-P419 WeakPolarHBondContact OG1-CA 3.45Å; T205-P419 WeakPolarHBondContact OG1-CB 3.41Å; V415-P419 WeakPolarHBondContact O-CD 3.28Å; V415-P419 VanDerWaalsContact O-CG 3.31Å; V415-P419 WeakPolarHBondContact O-CG 3.4Å; P419-P422 WeakPolarHBondContact O-CD 3.46Å; P419-I441 HydrophobicContact CB-CB 4.38Å; P419-I441 HydrophobicContact CB-CG2 3.84Å; P419-I441 HydrophobicContact CG-CG2 3.78Å; P419-P442 HydrophobicContact CB-CG 4.41Å
420F95.1Very high92.5Very high22 Ų2237.2 Ų37.210%0.09619%0.188CC..THydrogen-bonded Turntrans-84.1-26179.7-171.3-106.5000113.5P292 N295 A417 L418 P422 A423 T424 V438 L439 P442P292-F420 HydrophobicContact CB-CE1 4.06Å; P292-F420 HydrophobicContact CG-CE1 4.33Å; N295-F420 HydrophobicContact CB-CE1 4.38Å; N295-F420 HydrophobicContact CB-CE2 4.01Å; N295-F420 HydrophobicContact CB-CZ 3.57Å; A417-F420 PolarHBondContact O-N 3.13Å; L418-F420 VanDerWaalsContact C-N 3.27Å; L418-F420 PolarHBondContact O-N 3.4Å; F420-P422 VanDerWaalsContact C-CD 3.45Å; F420-P422 VanDerWaalsContact C-N 3.3Å; F420-P422 VanDerWaalsContact O-N 3.12Å; F420-A423 HydrophobicContact CD2-CB 4.34Å; F420-A423 HydrophobicContact CE2-CB 4.16Å; F420-A423 PolarHBondContact O-N 2.94Å; F420-T424 HydrophobicContact CD1-CG2 3.68Å; F420-T424 HydrophobicContact CE1-CG2 3.74Å; F420-T424 PolarHBondContact O-N 2.92Å; F420-V438 HydrophobicContact CD2-CG1 3.87Å; F420-V438 HydrophobicContact CE2-CG1 3.97Å; F420-L439 HydrophobicContact CD2-CD2 4.03Å; F420-L439 HydrophobicContact CE2-CD2 3.82Å; F420-P442 HydrophobicContact CB-CG 3.92Å; F420-P442 HydrophobicContact CD2-CG 4.4Å
421I93Very high91.9Very high66 Ų6637.5 Ų37.534%0.33819%0.194SC..G310 helixtrans-43.4-48179.6-78.7168.6000113.1A417 L418 A423 T424 F427A417-I421 WeakPolarHBondContact O-CG1 3.45Å; A417-I421 PolarHBondContact O-N 3.26Å; L418-I421 HydrophobicContact CD2-CD1 4.02Å; I421-A423 PolarHBondContact O-N 2.74Å; I421-A423 VanDerWaalsContact O-N 3.14Å; I421-T424 WeakPolarHBondContact O-CB 3.44Å; I421-T424 WeakPolarHBondContact O-CG2 3.48Å; I421-T424 PolarHBondContact O-N 2.83Å; I421-T424 VanDerWaalsContact O-N 3.12Å; I421-T424 PolarHBondContact O-OG1 2.94Å; I421-F427 HydrophobicContact CG2-CD2 3.92Å; I421-F427 HydrophobicContact CG2-CE2 3.99Å
422P89.3Confident91.3Very high34 Ų3440.2 Ų40.222%0.22121%0.205CC..G310 helixtrans-60.7-21178.8-26.737.1000116Q202 T205 P419 F420 F428 V430Q202-P422 HydrophobicContact CG-CB 4.37Å; Q202-P422 HydrophobicContact CG-CG 4.42Å; T205-P422 HydrophobicContact CG2-CG 4.46Å; P419-P422 WeakPolarHBondContact O-CD 3.46Å; F420-P422 VanDerWaalsContact C-CD 3.45Å; F420-P422 VanDerWaalsContact C-N 3.3Å; F420-P422 VanDerWaalsContact O-N 3.12Å; P422-F428 HydrophobicContact CB-CE2 4.06Å; P422-F428 HydrophobicContact CB-CZ 3.77Å; P422-F428 HydrophobicContact CG-CZ 4.46Å; P422-F428 WeakPolarHBondContact O-CE2 3.25Å; P422-V430 WeakPolarHBondContact O-CG2 3.29Å
423A89.9Confident90.6Very high4 Ų440.5 Ų40.53%0.03321%0.207CC..G310 helixtrans-100.3-1.717900000113.7F420 I421 N425 F432 V438F420-A423 HydrophobicContact CD2-CB 4.34Å; F420-A423 HydrophobicContact CE2-CB 4.16Å; F420-A423 PolarHBondContact O-N 2.94Å; I421-A423 PolarHBondContact O-N 2.74Å; I421-A423 VanDerWaalsContact O-N 3.14Å; A423-N425 PolarHBondContact O-N 3.25Å; A423-N425 PolarHBondContact O-ND2 2.82Å; A423-F432 HydrophobicContact CB-CE2 4.01Å; A423-F432 HydrophobicContact CB-CZ 4.16Å; A423-V438 HydrophobicContact CB-CG1 3.54Å
424T91.3Very high90.3Very high11 Ų1139.9 Ų39.97%0.06720%0.204CC..SBendtrans-67.1-16.6-177.857.60000114.4P292 F420 I421 L426P292-T424 HydrophobicContact CG-CG2 4.16Å; F420-T424 HydrophobicContact CD1-CG2 3.68Å; F420-T424 HydrophobicContact CE1-CG2 3.74Å; F420-T424 PolarHBondContact O-N 2.92Å; I421-T424 WeakPolarHBondContact O-CB 3.44Å; I421-T424 WeakPolarHBondContact O-CG2 3.48Å; I421-T424 PolarHBondContact O-N 2.83Å; I421-T424 VanDerWaalsContact O-N 3.12Å; I421-T424 PolarHBondContact O-OG1 2.94Å; T424-L426 HydrophobicContact CG2-CD1 4.47Å; T424-L426 PolarHBondContact O-N 3.29Å; T424-L426 VanDerWaalsContact O-N 3.08Å; T424-L426 PolarHBondContact OG1-N 2.67Å
425N90.1Very high89.9Confident1 Ų139.8 Ų39.81%0.00520%0.202CC..SBendtrans58.46-167.2-72.5-87.3000115.2N273 F288 L291 A423 F428 Y429 V430 F432N273-N425 PolarHBondContact ND2-OD1 3.49Å; F288-N425 HydrophobicContact CD1-CB 3.44Å; F288-N425 VanDerWaalsContact CD1-CB 3.44Å; F288-N425 HydrophobicContact CE1-CB 3.57Å; F288-N425 HydrophobicContact CG-CB 4.17Å; F288-N425 HydrophobicContact CZ-CB 4.38Å; L291-N425 HydrophobicContact CD1-CB 4.38Å; A423-N425 PolarHBondContact O-N 3.25Å; A423-N425 PolarHBondContact O-ND2 2.82Å; N425-F428 WeakPolarHBondContact CA-O 3.45Å; N425-Y429 WeakPolarHBondContact OD1-CA 3.36Å; N425-V430 PolarHBondContact OD1-N 3.48Å; N425-V430 PolarHBondContact OD1-O 3.31Å; N425-F432 PolarHBondContact ND2-O 2.87Å
426L88.8Confident89.5Confident71 Ų7139.7 Ų39.737%0.37220%0.202SC..SBendtrans-79.8-29.5-177-71.2170000114.2F288 L289 P292 T424F288-L426 HydrophobicContact CB-CD2 3.89Å; L289-L426 HydrophobicContact CD2-CD2 4.08Å; L289-L426 HydrophobicContact CG-CD2 4.4Å; P292-L426 HydrophobicContact CG-CD1 4.31Å; T424-L426 HydrophobicContact CG2-CD1 4.47Å; T424-L426 PolarHBondContact O-N 3.29Å; T424-L426 VanDerWaalsContact O-N 3.08Å; T424-L426 PolarHBondContact OG1-N 2.67Å
427F85.3Confident89.3Confident152 Ų15240.3 Ų40.367%0.66720%0.202SC*.SBendtrans-109.3-29.4-175.8-60.7-75.7000113.3I421I421-F427 HydrophobicContact CG2-CD2 3.92Å; I421-F427 HydrophobicContact CG2-CE2 3.99Å
428F84.3Confident89.1Confident113 Ų11338.5 Ų38.550%0.49619%0.186SC..SBendtrans-156.9147.7175.645.4-94.5000108.1P422 N425 V430P422-F428 HydrophobicContact CB-CE2 4.06Å; P422-F428 HydrophobicContact CB-CZ 3.77Å; P422-F428 HydrophobicContact CG-CZ 4.46Å; P422-F428 WeakPolarHBondContact O-CE2 3.25Å; N425-F428 WeakPolarHBondContact CA-O 3.45Å; F428-V430 HydrophobicContact CD2-CG2 4.19Å; F428-V430 HydrophobicContact CE2-CG2 4.37Å
429Y85.8Confident89.1Confident115 Ų11536.6 Ų36.645%0.45118%0.176SC..  trans-82.1148.3-178.7-55-27.4000111.5A276 F288 N425A276-Y429 HydrophobicContact CB-CD2 3.53Å; A276-Y429 HydrophobicContact CB-CE2 3.91Å; A276-Y429 HydrophobicContact CB-CG 3.86Å; F288-Y429 HydrophobicContact CD2-CE1 4.1Å; F288-Y429 AromaticContact CE2-CD1 3.91Å; F288-Y429 HydrophobicContact CE2-CD1 3.91Å; F288-Y429 AromaticContact CE2-CE1 3.24Å; F288-Y429 HydrophobicContact CE2-CE1 3.24Å; F288-Y429 AromaticContact CE2-CZ 3.8Å; F288-Y429 AromaticContact CZ-CD1 3.78Å; F288-Y429 HydrophobicContact CZ-CD1 3.78Å; F288-Y429 AromaticContact CZ-CE1 3.58Å; F288-Y429 HydrophobicContact CZ-CE1 3.58Å; N425-Y429 WeakPolarHBondContact OD1-CA 3.36Å
430V84.5Confident89.2Confident26 Ų2636.6 Ų36.616%0.15818%0.176CC..  trans-130.6147.9178.4-168.90000108.3N273 P422 N425 F428 F432N273-V430 PolarHBondContact ND2-O 2.94Å; P422-V430 WeakPolarHBondContact O-CG2 3.29Å; N425-V430 PolarHBondContact OD1-N 3.48Å; N425-V430 PolarHBondContact OD1-O 3.31Å; F428-V430 HydrophobicContact CD2-CG2 4.19Å; F428-V430 HydrophobicContact CE2-CG2 4.37Å; V430-F432 HydrophobicContact CG1-CD1 3.72Å; V430-F432 HydrophobicContact CG1-CE1 3.39Å; V430-F432 HydrophobicContact CG1-CG 4.45Å; V430-F432 HydrophobicContact CG1-CZ 3.87Å; V430-F432 PolarHBondContact O-N 2.93Å
431G81.3Confident89.3Confident17 Ų1735.7 Ų35.718%0.17517%0.172CC..SBendtrans-7130.7178.500000115.6F268F268-G431 VanDerWaalsContact CD1-CA 3.44Å; F268-G431 VanDerWaalsContact CG-CA 3.42Å; F268-G431 VanDerWaalsContact CZ-N 3.32Å
432F83.1Confident89.6Confident57 Ų5732.6 Ų32.625%0.2516%0.156CC..  trans-152.1148.3166.159.8-97.7000110.2A423 N425 V430 A435 V438A423-F432 HydrophobicContact CB-CE2 4.01Å; A423-F432 HydrophobicContact CB-CZ 4.16Å; N425-F432 PolarHBondContact ND2-O 2.87Å; V430-F432 HydrophobicContact CG1-CD1 3.72Å; V430-F432 HydrophobicContact CG1-CE1 3.39Å; V430-F432 HydrophobicContact CG1-CG 4.45Å; V430-F432 HydrophobicContact CG1-CZ 3.87Å; V430-F432 PolarHBondContact O-N 2.93Å; F432-A435 HydrophobicContact CD2-CB 3.9Å; F432-A435 HydrophobicContact CE2-CB 4.15Å; F432-A435 HydrophobicContact CG-CB 4.34Å; F432-V438 HydrophobicContact CE2-CG2 3.85Å; F432-V438 HydrophobicContact CZ-CG2 3.68Å
433V83.2Confident90Very high7 Ų731 Ų314%0.04215%0.146CC..SBendtrans-93.4-41.4-177.9-176.50000110.8N273 L291 V314N273-V433 HydrophobicContact CB-CG2 4.31Å; L291-V433 HydrophobicContact CD1-CB 4.49Å; L291-V433 HydrophobicContact CD1-CG1 3.65Å; L291-V433 HydrophobicContact CD2-CG1 3.39Å; L291-V433 HydrophobicContact CG-CG1 4.13Å; V314-V433 HydrophobicContact CB-CG1 3.9Å; V314-V433 HydrophobicContact CG1-CG1 4.27Å; V314-V433 HydrophobicContact CG2-CG1 3.95Å
434I90.8Very high90.4Very high8 Ų830.8 Ų30.84%0.04115%0.145CC..  trans-142146173.3-61.5-175000107.7A294 L298 W309 V314A294-I434 HydrophobicContact CB-CD1 3.84Å; L298-I434 HydrophobicContact CD1-CG2 3.66Å; W309-I434 HydrophobicContact CB-CB 3.87Å; W309-I434 WeakPolarHBondContact CB-O 3.46Å; W309-I434 HydrophobicContact CD2-CB 3.89Å; W309-I434 HydrophobicContact CD2-CD1 4.4Å; W309-I434 HydrophobicContact CD2-CG2 3.89Å; W309-I434 HydrophobicContact CE3-CB 4.33Å; W309-I434 HydrophobicContact CE3-CD1 4.01Å; W309-I434 HydrophobicContact CG-CB 3.69Å; W309-I434 HydrophobicContact CG-CG2 3.95Å; W309-I434 HydrophobicContact CZ2-CG2 4.44Å; W309-I434 HydrophobicContact CZ3-CD1 4.22Å; V314-I434 HydrophobicContact CG2-CD1 3.73Å; V314-I434 HydrophobicContact CG2-CG1 4.12Å
435A87.6Confident90.7Very high8 Ų830.3 Ų30.37%0.06614%0.141CC..  trans-153.5129.1170.400000109.4F432 R437 V438F432-A435 HydrophobicContact CD2-CB 3.9Å; F432-A435 HydrophobicContact CE2-CB 4.15Å; F432-A435 HydrophobicContact CG-CB 4.34Å; A435-R437 HydrophobicContact CB-CG 4.27Å; A435-V438 HydrophobicContact CB-CG2 4.01Å; A435-V438 PolarHBondContact O-N 3.3Å
436E90.9Very high91.1Very high0 Ų031.4 Ų31.40%015%0.146CC..SBendtrans-66.9-42-174.6-59.2171.3-146.100110.8E131 L305 S306 V438 L439 R488E131-E436 HydrophobicContact CB-CB 4.05Å; E131-E436 WeakPolarHBondContact OE2-CA 2.92Å; E131-E436 WeakPolarHBondContact OE2-CB 3.26Å; E131-E436 PolarHBondContact OE2-N 2.84Å; L305-E436 VanDerWaalsContact C-OE1 3.31Å; L305-E436 VanDerWaalsContact CA-OE1 3.24Å; L305-E436 WeakPolarHBondContact CA-OE1 3.45Å; L305-E436 WeakPolarHBondContact CB-OE1 3.12Å; L305-E436 HydrophobicContact CD2-CG 4.03Å; S306-E436 PolarHBondContact N-OE1 3.24Å; E436-V438 PolarHBondContact O-N 3.34Å; E436-L439 WeakPolarHBondContact O-CB 3.28Å; E436-L439 PolarHBondContact O-N 2.92Å; E436-R488 IonicContact OE1-NH2 2.71Å; E436-R488 PolarHBondContact OE1-NH2 3.19Å
437R91.8Very high91.5Very high51 Ų5128 Ų2819%0.19213%0.128CC..G310 helixtrans-51.1-34.7178.560-177.8168.9-14115.9113.4D26 E131 A132 D141 A435 L439 Y440D26-R437 IonicContact OD2-CZ 2.68Å; D26-R437 IonicContact OD2-NH1 3.68Å; D26-R437 PolarHBondContact OD2-NH1 2.98Å; D26-R437 VanDerWaalsContact OD2-NH1 3.08Å; D26-R437 IonicContact OD2-NH2 3.43Å; D26-R437 PolarHBondContact OD2-NH2 2.96Å; E131-R437 HydrophobicContact CB-CB 4.36Å; E131-R437 VanDerWaalsContact CD-CG 3.5Å; E131-R437 HydrophobicContact CG-CB 4.07Å; E131-R437 HydrophobicContact CG-CG 4.43Å; E131-R437 WeakPolarHBondContact OE1-CD 2.99Å; E131-R437 VanDerWaalsContact OE1-CG 3.29Å; E131-R437 WeakPolarHBondContact OE1-CG 3.31Å; E131-R437 IonicContact OE1-CZ 3.66Å; E131-R437 IonicContact OE1-NE 3.77Å; E131-R437 PolarHBondContact OE1-NE 2.91Å; E131-R437 IonicContact OE1-NH1 2.74Å; E131-R437 PolarHBondContact OE1-NH1 3.04Å; E131-R437 WeakPolarHBondContact OE2-CG 3.39Å; E131-R437 PolarHBondContact OE2-N 3.08Å; A132-R437 HydrophobicContact CB-CB 4.42Å; D141-R437 VanDerWaalsContact OD1-O 3.07Å; A435-R437 HydrophobicContact CB-CG 4.27Å; R437-L439 PolarHBondContact O-N 3.49Å; R437-Y440 VanDerWaalsContact O-CB 3.24Å; R437-Y440 WeakPolarHBondContact O-CB 3.34Å; R437-Y440 PolarHBondContact O-N 3.06Å
438V92.1Very high92.2Very high2 Ų220.8 Ų20.81%0.01210%0.096CC..G310 helixtrans-66.7-23.6178.6170.30000113F420 A423 F432 A435 E436 Y440 P442F420-V438 HydrophobicContact CD2-CG1 3.87Å; F420-V438 HydrophobicContact CE2-CG1 3.97Å; A423-V438 HydrophobicContact CB-CG1 3.54Å; F432-V438 HydrophobicContact CE2-CG2 3.85Å; F432-V438 HydrophobicContact CZ-CG2 3.68Å; A435-V438 HydrophobicContact CB-CG2 4.01Å; A435-V438 PolarHBondContact O-N 3.3Å; E436-V438 PolarHBondContact O-N 3.34Å; V438-Y440 VanDerWaalsContact C-N 3.27Å; V438-Y440 PolarHBondContact O-N 3.16Å; V438-P442 WeakPolarHBondContact O-CD 3.46Å; V438-P442 WeakPolarHBondContact O-CG 3.48Å
439L96.3Very high92.8Very high4 Ų416.8 Ų16.82%0.0218%0.08CC..G310 helixtrans-80.8-7.1178.3-55.8176.5000112.8N295 L298 L299 F420 E436 R437 P442 S443N295-L439 HydrophobicContact CB-CD2 4.05Å; L298-L439 HydrophobicContact CB-CD1 3.81Å; L298-L439 HydrophobicContact CD1-CD1 4.16Å; L299-L439 HydrophobicContact CD2-CB 4.15Å; L299-L439 HydrophobicContact CG-CD1 4.35Å; F420-L439 HydrophobicContact CD2-CD2 4.03Å; F420-L439 HydrophobicContact CE2-CD2 3.82Å; E436-L439 WeakPolarHBondContact O-CB 3.28Å; E436-L439 PolarHBondContact O-N 2.92Å; R437-L439 PolarHBondContact O-N 3.49Å; L439-P442 WeakPolarHBondContact O-CD 3.38Å; L439-S443 WeakPolarHBondContact O-CB 3.4Å; L439-S443 PolarHBondContact O-N 3.16Å; L439-S443 PolarHBondContact O-OG 3.13Å
440Y98.2Very high93.3Very high0 Ų013.3 Ų13.30%07%0.07CC..THydrogen-bonded Turntrans-58.3-53.7-175.8-168.2-99.3000112.8H95 V98 F123 H129 A132 V133 V142 A145 R437 V438 S443H95-Y440 AromaticContact ND1-CE2 3.75Å; H95-Y440 AromaticContact ND1-CZ 3.74Å; H95-Y440 PolarHBondContact ND1-OH 3.46Å; V98-Y440 HydrophobicContact CG1-CE1 4.05Å; F123-Y440 HydrophobicContact CZ-CE1 4.12Å; F123-Y440 HydrophobicContact CZ-CE2 4.12Å; F123-Y440 AromaticContact CZ-CZ 3.78Å; H129-Y440 HydrophobicContact CB-CD2 3.89Å; H129-Y440 HydrophobicContact CB-CE2 3.88Å; H129-Y440 AromaticContact CD2-CD2 3.55Å; H129-Y440 AromaticContact CG-CD2 3.53Å; H129-Y440 AromaticContact CG-CE2 3.57Å; H129-Y440 AromaticContact ND1-CD2 3.96Å; H129-Y440 AromaticContact ND1-CE2 3.6Å; H129-Y440 AromaticContact NE2-CD2 4Å; A132-Y440 HydrophobicContact CB-CD2 3.75Å; A132-Y440 HydrophobicContact CB-CE2 4.35Å; A132-Y440 HydrophobicContact CB-CG 4.08Å; V133-Y440 HydrophobicContact CG2-CE2 4.15Å; V142-Y440 HydrophobicContact CB-CE1 4.33Å; V142-Y440 HydrophobicContact CG1-CE1 4.32Å; V142-Y440 HydrophobicContact CG2-CE1 4.23Å; V142-Y440 HydrophobicContact CG2-CE2 4.43Å; A145-Y440 HydrophobicContact CB-CD1 3.75Å; A145-Y440 HydrophobicContact CB-CE1 3.55Å; R437-Y440 VanDerWaalsContact O-CB 3.24Å; R437-Y440 WeakPolarHBondContact O-CB 3.34Å; R437-Y440 PolarHBondContact O-N 3.06Å; V438-Y440 VanDerWaalsContact C-N 3.27Å; V438-Y440 PolarHBondContact O-N 3.16Å; Y440-S443 PolarHBondContact O-OG 3.01Å
441I98.1Very high94Very high2 Ų212 Ų121%0.016%0.063CC..THydrogen-bonded Turntrans-68.8-48.8174.7-62.7174000112.2A144 A145 F148 P419 S443 I444A144-I441 HydrophobicContact CB-CD1 4.36Å; A145-I441 HydrophobicContact CB-CD1 4.25Å; A145-I441 HydrophobicContact CB-CG1 3.72Å; F148-I441 HydrophobicContact CD1-CG2 4.34Å; F148-I441 HydrophobicContact CD2-CD1 4.11Å; F148-I441 HydrophobicContact CD2-CG2 4.11Å; F148-I441 HydrophobicContact CE1-CG2 4.14Å; F148-I441 HydrophobicContact CE2-CG2 3.89Å; F148-I441 HydrophobicContact CG-CD1 4.49Å; F148-I441 HydrophobicContact CG-CG2 4.35Å; F148-I441 HydrophobicContact CZ-CG2 3.9Å; P419-I441 HydrophobicContact CB-CB 4.38Å; P419-I441 HydrophobicContact CB-CG2 3.84Å; P419-I441 HydrophobicContact CG-CG2 3.78Å; I441-S443 PolarHBondContact O-N 2.78Å; I441-S443 VanDerWaalsContact O-N 3.16Å; I441-I444 HydrophobicContact CG2-CD1 4.41Å; I441-I444 VanDerWaalsContact O-CB 3.31Å; I441-I444 WeakPolarHBondContact O-CB 3.27Å; I441-I444 VanDerWaalsContact O-CG1 3.29Å; I441-I444 WeakPolarHBondContact O-CG1 3.47Å; I441-I444 PolarHBondContact O-N 3.11Å; I441-I444 VanDerWaalsContact O-N 3.07Å
442P98.1Very high94.7Very high1 Ų111.4 Ų11.41%0.0066%0.055CC..Hα-helixtrans-50.4-36.6174.4-32.938.2000114.9L416 P419 F420 V438 L439 I444 G445 Y446L416-P442 HydrophobicContact CD1-CB 4.07Å; L416-P442 WeakPolarHBondContact CD1-O 3.48Å; L416-P442 WeakPolarHBondContact O-CB 3.3Å; P419-P442 HydrophobicContact CB-CG 4.41Å; F420-P442 HydrophobicContact CB-CG 3.92Å; F420-P442 HydrophobicContact CD2-CG 4.4Å; V438-P442 WeakPolarHBondContact O-CD 3.46Å; V438-P442 WeakPolarHBondContact O-CG 3.48Å; L439-P442 WeakPolarHBondContact O-CD 3.38Å; P442-I444 PolarHBondContact O-N 3.15Å; P442-I444 VanDerWaalsContact O-N 3.16Å; P442-G445 PolarHBondContact O-N 2.96Å; P442-Y446 PolarHBondContact O-N 3.04Å
443S98.3Very high95.3Very high0 Ų010.6 Ų10.60%06%0.063CC..Hα-helixtrans-61.9-22.8-179.576.20000113.6F123 H129 L439 Y440 I441 G445 Y446 C447F123-S443 WeakPolarHBondContact CE2-OG 3.38Å; H129-S443 PolarHBondContact NE2-OG 3.28Å; L439-S443 WeakPolarHBondContact O-CB 3.4Å; L439-S443 PolarHBondContact O-N 3.16Å; L439-S443 PolarHBondContact O-OG 3.13Å; Y440-S443 PolarHBondContact O-OG 3.01Å; I441-S443 PolarHBondContact O-N 2.78Å; I441-S443 VanDerWaalsContact O-N 3.16Å; S443-G445 VanDerWaalsContact C-N 3.31Å; S443-G445 PolarHBondContact O-N 3.36Å; S443-Y446 WeakPolarHBondContact O-CB 3.48Å; S443-Y446 PolarHBondContact O-N 2.96Å; S443-C447 WeakPolarHBondContact O-CB 3.5Å; S443-C447 PolarHBondContact O-N 3.44Å; S443-C447 PolarHBondContact O-SG 3.39Å
444I98.5Very high95.9Very high1 Ų110.8 Ų10.81%0.0057%0.066CC..Hα-helixtrans-60.9-44.9173.1-57170.2000109.5V102 F123 L149 V415 I441 P442 I448V102-I444 HydrophobicContact CG1-CG2 4.3Å; V102-I444 HydrophobicContact CG2-CD1 4.15Å; V102-I444 HydrophobicContact CG2-CG1 3.93Å; V102-I444 HydrophobicContact CG2-CG2 4.1Å; F123-I444 HydrophobicContact CD2-CG1 3.95Å; F123-I444 HydrophobicContact CE2-CD1 4.37Å; F123-I444 HydrophobicContact CE2-CG1 3.43Å; F123-I444 VanDerWaalsContact CE2-CG1 3.43Å; F123-I444 HydrophobicContact CZ-CG1 4.23Å; L149-I444 HydrophobicContact CD1-CD1 4.18Å; L149-I444 HydrophobicContact CD2-CD1 4.2Å; L149-I444 HydrophobicContact CG-CD1 4.28Å; V415-I444 HydrophobicContact CG1-CB 3.88Å; V415-I444 HydrophobicContact CG1-CG2 4.11Å; I441-I444 HydrophobicContact CG2-CD1 4.41Å; I441-I444 VanDerWaalsContact O-CB 3.31Å; I441-I444 WeakPolarHBondContact O-CB 3.27Å; I441-I444 VanDerWaalsContact O-CG1 3.29Å; I441-I444 WeakPolarHBondContact O-CG1 3.47Å; I441-I444 PolarHBondContact O-N 3.11Å; I441-I444 VanDerWaalsContact O-N 3.07Å; P442-I444 PolarHBondContact O-N 3.15Å; P442-I444 VanDerWaalsContact O-N 3.16Å; I444-I448 HydrophobicContact CG2-CD1 4.03Å; I444-I448 WeakPolarHBondContact O-CD1 3.39Å; I444-I448 VanDerWaalsContact O-CG1 3.29Å; I444-I448 WeakPolarHBondContact O-CG1 3.45Å; I444-I448 PolarHBondContact O-N 2.93Å
445G98Very high96.1Very high0 Ų013.5 Ų13.50%08%0.076CC..Hα-helixtrans-64.9-43.5175.800000111.8S412 P442 S443 L449S412-G445 WeakPolarHBondContact CB-O 3.3Å; S412-G445 WeakPolarHBondContact O-CA 3.38Å; P442-G445 PolarHBondContact O-N 2.96Å; S443-G445 VanDerWaalsContact C-N 3.31Å; S443-G445 PolarHBondContact O-N 3.36Å; G445-L449 VanDerWaalsContact O-CB 3.3Å; G445-L449 WeakPolarHBondContact O-CB 3.47Å; G445-L449 PolarHBondContact O-N 3.3Å
446Y98.1Very high96.4Very high25 Ų2514.9 Ų14.910%0.0988%0.083CC..Hα-helixtrans-57.6-50.8174.5170.5-94000112.5L299 L300 P442 S443 I448 L449 V450L299-Y446 HydrophobicContact CB-CD2 4.05Å; L299-Y446 HydrophobicContact CB-CE2 4.2Å; L299-Y446 HydrophobicContact CB-CG 4.27Å; L299-Y446 HydrophobicContact CD1-CG 4.45Å; L299-Y446 PolarHBondContact O-OH 2.92Å; L299-Y446 VanDerWaalsContact O-OH 3.04Å; L300-Y446 HydrophobicContact CD2-CE2 3.89Å; L300-Y446 HydrophobicContact CG-CE2 4.39Å; P442-Y446 PolarHBondContact O-N 3.04Å; S443-Y446 WeakPolarHBondContact O-CB 3.48Å; S443-Y446 PolarHBondContact O-N 2.96Å; Y446-I448 PolarHBondContact O-N 3.22Å; Y446-L449 WeakPolarHBondContact O-CB 3.3Å; Y446-L449 PolarHBondContact O-N 2.67Å; Y446-L449 VanDerWaalsContact O-N 3.12Å; Y446-V450 HydrophobicContact CD1-CG2 4.38Å; Y446-V450 HydrophobicContact CD2-CG2 4.23Å; Y446-V450 HydrophobicContact CE1-CG2 3.95Å; Y446-V450 HydrophobicContact CE2-CG2 3.81Å; Y446-V450 HydrophobicContact CG-CG2 4.49Å; Y446-V450 WeakPolarHBondContact O-CG2 3.37Å; Y446-V450 PolarHBondContact O-N 3.09Å
447C98.4Very high96.5Very high0 Ų018.9 Ų18.90%010%0.104CC..Hα-helixtrans-63.5-39.8-177.2-65.10000112.3L122 F123 S443 A451L122-C447 HydrophobicContact CB-CB 4.21Å; F123-C447 HydrophobicContact CB-CB 4.39Å; F123-C447 PolarHBondContact N-SG 3.45Å; S443-C447 WeakPolarHBondContact O-CB 3.5Å; S443-C447 PolarHBondContact O-N 3.44Å; S443-C447 PolarHBondContact O-SG 3.39Å; C447-A451 WeakPolarHBondContact O-CB 3.23Å; C447-A451 PolarHBondContact O-N 2.99Å
448I98.1Very high96.6Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-67.6-38.5174.7-62166.6000110.7L105 L109 F411 S412 I444 Y446 A451 T452L105-I448 HydrophobicContact CD2-CD1 4.34Å; L109-I448 HydrophobicContact CD1-CD1 4.05Å; L109-I448 HydrophobicContact CD1-CG2 4.33Å; F411-I448 HydrophobicContact CE1-CD1 4.37Å; S412-I448 WeakPolarHBondContact OG-CG2 3.35Å; I444-I448 HydrophobicContact CG2-CD1 4.03Å; I444-I448 WeakPolarHBondContact O-CD1 3.39Å; I444-I448 VanDerWaalsContact O-CG1 3.29Å; I444-I448 WeakPolarHBondContact O-CG1 3.45Å; I444-I448 PolarHBondContact O-N 2.93Å; Y446-I448 PolarHBondContact O-N 3.22Å; I448-A451 PolarHBondContact O-N 2.92Å; I448-T452 VanDerWaalsContact O-CB 3.29Å; I448-T452 WeakPolarHBondContact O-CB 3.18Å; I448-T452 PolarHBondContact O-N 2.95Å; I448-T452 PolarHBondContact O-OG1 3.13Å
449L97.4Very high96.6Very high29 Ų2924.9 Ų24.915%0.15214%0.139CC..Hα-helixtrans-63.9-47176.7-174.461000111.6L338 V409 L413 G445 Y446 T452 G453L338-L449 HydrophobicContact CD1-CD2 4.33Å; V409-L449 HydrophobicContact CB-CD1 4.43Å; V409-L449 HydrophobicContact CG1-CD1 4.23Å; V409-L449 HydrophobicContact CG2-CD1 4.05Å; L413-L449 HydrophobicContact CD2-CD2 4.23Å; G445-L449 VanDerWaalsContact O-CB 3.3Å; G445-L449 WeakPolarHBondContact O-CB 3.47Å; G445-L449 PolarHBondContact O-N 3.3Å; Y446-L449 WeakPolarHBondContact O-CB 3.3Å; Y446-L449 PolarHBondContact O-N 2.67Å; Y446-L449 VanDerWaalsContact O-N 3.12Å; L449-T452 WeakPolarHBondContact O-CB 3.49Å; L449-T452 PolarHBondContact O-N 3.47Å; L449-G453 PolarHBondContact O-N 3.01Å
450V97.4Very high96.4Very high41 Ų4133.4 Ų33.425%0.24817%0.17CC..Hα-helixtrans-61.2-46.7176.7173.40000110.7L122 Y446 T452 G453 A454L122-V450 HydrophobicContact CD1-CB 4.13Å; L122-V450 HydrophobicContact CD1-CG1 3.67Å; Y446-V450 HydrophobicContact CD1-CG2 4.38Å; Y446-V450 HydrophobicContact CD2-CG2 4.23Å; Y446-V450 HydrophobicContact CE1-CG2 3.95Å; Y446-V450 HydrophobicContact CE2-CG2 3.81Å; Y446-V450 HydrophobicContact CG-CG2 4.49Å; Y446-V450 WeakPolarHBondContact O-CG2 3.37Å; Y446-V450 PolarHBondContact O-N 3.09Å; V450-T452 VanDerWaalsContact C-N 3.31Å; V450-T452 PolarHBondContact O-N 2.8Å; V450-G453 PolarHBondContact O-N 3.04Å; V450-A454 WeakPolarHBondContact O-CB 3.2Å; V450-A454 PolarHBondContact O-N 2.04Å
451A97.4Very high96.2Very high0 Ų035.3 Ų35.30%018%0.181CC..Hα-helixtrans-63.7-35176.400000113L110 L118 A119 C447 I448 R455L110-A451 HydrophobicContact CD1-CB 3.83Å; L118-A451 HydrophobicContact CD2-CB 4.48Å; A119-A451 HydrophobicContact CB-CB 3.77Å; C447-A451 WeakPolarHBondContact O-CB 3.23Å; C447-A451 PolarHBondContact O-N 2.99Å; I448-A451 PolarHBondContact O-N 2.92Å; A451-R455 WeakPolarHBondContact O-CB 3.45Å; A451-R455 PolarHBondContact O-N 3.04Å
452T96.4Very high95.9Very high3 Ų346.8 Ų46.82%0.01822%0.224CC..Hα-helixtrans-67.1-42.8174.3-58.90000111.5T405 L408 I448 L449 V450 T456T405-T452 HydrophobicContact CG2-CG2 3.82Å; L408-T452 HydrophobicContact CB-CG2 3.99Å; L408-T452 HydrophobicContact CD1-CG2 4.23Å; I448-T452 VanDerWaalsContact O-CB 3.29Å; I448-T452 WeakPolarHBondContact O-CB 3.18Å; I448-T452 PolarHBondContact O-N 2.95Å; I448-T452 PolarHBondContact O-OG1 3.13Å; L449-T452 WeakPolarHBondContact O-CB 3.49Å; L449-T452 PolarHBondContact O-N 3.47Å; V450-T452 VanDerWaalsContact C-N 3.31Å; V450-T452 PolarHBondContact O-N 2.8Å; T452-T456 WeakPolarHBondContact O-CB 3.49Å; T452-T456 PolarHBondContact O-N 2.99Å; T452-T456 PolarHBondContact O-OG1 3.14Å
453G95.6Very high95.8Very high40 Ų4050.2 Ų50.241%0.41225%0.245SC..Hα-helixtrans-61.9-49.6173.500000112.2L449 V450 R455 T456 L457L449-G453 PolarHBondContact O-N 3.01Å; V450-G453 PolarHBondContact O-N 3.04Å; G453-R455 PolarHBondContact O-N 3.49Å; G453-T456 PolarHBondContact O-N 3.19Å; G453-T456 VanDerWaalsContact O-N 3.13Å; G453-L457 WeakPolarHBondContact O-CB 3.13Å; G453-L457 PolarHBondContact O-N 2.78Å
454A96.3Very high95.5Very high12 Ų1261.1 Ų61.110%0.09929%0.286CS..Hα-helixtrans-56.1-48.1175.600000111.9W115 L118 V450 T456 L457 Y458 M470W115-A454 HydrophobicContact CE3-CB 4.34Å; W115-A454 HydrophobicContact CZ3-CB 3.94Å; L118-A454 HydrophobicContact CD2-CB 3.9Å; V450-A454 WeakPolarHBondContact O-CB 3.2Å; V450-A454 PolarHBondContact O-N 2.04Å; A454-T456 VanDerWaalsContact C-N 3.34Å; A454-T456 PolarHBondContact O-N 3.02Å; A454-L457 PolarHBondContact O-N 3.33Å; A454-Y458 VanDerWaalsContact O-CB 3.31Å; A454-Y458 WeakPolarHBondContact O-CB 3.35Å; A454-Y458 PolarHBondContact O-N 3.45Å; A454-M470 HydrophobicContact CB-CE 3.75Å
455R95.3Very high95.3Very high65 Ų6564.6 Ų64.625%0.24531%0.314CS..Hα-helixtrans-57.4-45174.2178.6178.6175-160.9-2.1112.2L110 W115 A451 G453 V459L110-R455 PolarHBondContact O-NH1 2.9Å; W115-R455 HydrophobicContact CD2-CB 3.6Å; W115-R455 HydrophobicContact CD2-CG 4.02Å; W115-R455 HydrophobicContact CE3-CB 3.94Å; W115-R455 HydrophobicContact CG-CB 3.85Å; W115-R455 HydrophobicContact CG-CG 3.98Å; W115-R455 HydrophobicContact CZ2-CB 4.42Å; W115-R455 HydrophobicContact CZ3-CB 4.49Å; A451-R455 WeakPolarHBondContact O-CB 3.45Å; A451-R455 PolarHBondContact O-N 3.04Å; G453-R455 PolarHBondContact O-N 3.49Å; R455-V459 WeakPolarHBondContact O-CG2 3.5Å; R455-V459 PolarHBondContact O-N 3.42Å
456T92.8Very high95.1Very high36 Ų3667.5 Ų67.522%0.22133%0.334CS..Hα-helixtrans-68-40.4-177.8-58.70000111.6T405 T452 G453 A454 R460T405-T456 WeakPolarHBondContact CG2-OG1 3.39Å; T452-T456 WeakPolarHBondContact O-CB 3.49Å; T452-T456 PolarHBondContact O-N 2.99Å; T452-T456 PolarHBondContact O-OG1 3.14Å; G453-T456 PolarHBondContact O-N 3.19Å; G453-T456 VanDerWaalsContact O-N 3.13Å; A454-T456 VanDerWaalsContact C-N 3.34Å; A454-T456 PolarHBondContact O-N 3.02Å; T456-R460 WeakPolarHBondContact O-CG 3.47Å; T456-R460 PolarHBondContact O-N 2.68Å
457L94Very high94.9Very high85 Ų8568.9 Ų68.945%0.44534%0.341SS..Hα-helixtrans-65.4-49.1174.7-177.558.6000111G453 A454 V459 R460 L461 M470G453-L457 WeakPolarHBondContact O-CB 3.13Å; G453-L457 PolarHBondContact O-N 2.78Å; A454-L457 PolarHBondContact O-N 3.33Å; L457-V459 VanDerWaalsContact C-N 3.25Å; L457-V459 PolarHBondContact O-N 3.28Å; L457-R460 WeakPolarHBondContact O-CA 3.42Å; L457-R460 PolarHBondContact O-N 3.1Å; L457-L461 HydrophobicContact CD1-CD2 4.24Å; L457-L461 HydrophobicContact CD1-CG 4.2Å; L457-L461 HydrophobicContact CG-CD1 4.16Å; L457-L461 HydrophobicContact CG-CG 4.25Å; L457-L461 WeakPolarHBondContact O-CG 3.49Å; L457-L461 PolarHBondContact O-N 3.04Å; L457-M470 HydrophobicContact CB-SD 4.34Å; L457-M470 HydrophobicContact CD2-CG 4Å; L457-M470 HydrophobicContact CD2-SD 4.34Å; L457-M470 HydrophobicContact CG-CG 4.43Å; L457-M470 HydrophobicContact CG-SD 4.29Å
458Y94.5Very high94.8Very high73 Ų7371.4 Ų71.429%0.28636%0.361SS..Hα-helixtrans-54.9-38.2178.7-175.7-90.7000113.5W115 A454 K467 M470 L471W115-Y458 HydrophobicContact CH2-CD1 4.2Å; W115-Y458 AromaticContact CH2-CD2 3.96Å; W115-Y458 HydrophobicContact CH2-CD2 3.96Å; W115-Y458 AromaticContact CH2-CG 3.63Å; W115-Y458 HydrophobicContact CH2-CG 3.63Å; W115-Y458 AromaticContact CZ2-CD1 3.72Å; W115-Y458 HydrophobicContact CZ2-CD1 3.72Å; W115-Y458 HydrophobicContact CZ2-CD2 4.28Å; W115-Y458 HydrophobicContact CZ2-CE1 4.39Å; W115-Y458 AromaticContact CZ2-CG 3.65Å; W115-Y458 HydrophobicContact CZ2-CG 3.65Å; A454-Y458 VanDerWaalsContact O-CB 3.31Å; A454-Y458 WeakPolarHBondContact O-CB 3.35Å; A454-Y458 PolarHBondContact O-N 3.45Å; Y458-K467 HydrophobicContact CD2-CB 4.1Å; Y458-K467 HydrophobicContact CD2-CD 4.44Å; Y458-K467 HydrophobicContact CD2-CG 4.05Å; Y458-K467 HydrophobicContact CE1-CD 4.22Å; Y458-K467 HydrophobicContact CE2-CB 3.64Å; Y458-K467 HydrophobicContact CE2-CD 4Å; Y458-K467 HydrophobicContact CE2-CG 3.88Å; Y458-K467 WeakPolarHBondContact O-CE 3.12Å; Y458-M470 HydrophobicContact CD2-SD 4.31Å; Y458-L471 HydrophobicContact CD2-CD1 4.5Å; Y458-L471 HydrophobicContact CD2-CD2 4.14Å; Y458-L471 HydrophobicContact CD2-CG 4.18Å; Y458-L471 HydrophobicContact CE2-CD1 3.8Å; Y458-L471 HydrophobicContact CE2-CD2 4.23Å; Y458-L471 HydrophobicContact CE2-CG 3.94Å
459V91.4Very high94.6Very high106 Ų10673.9 Ų73.964%0.64238%0.382SS*.Hα-helixtrans-70.3-33.7176.1171.90000111.9R455 L457R455-V459 WeakPolarHBondContact O-CG2 3.5Å; R455-V459 PolarHBondContact O-N 3.42Å; L457-V459 VanDerWaalsContact C-N 3.25Å; L457-V459 PolarHBondContact O-N 3.28Å
460R92.8Very high94.5Very high182 Ų18273.2 Ų73.269%0.68738%0.378SS*.Hα-helixtrans-79.7-28.7178.9-71.8179.3178-1770.9114.1T456 L457 R462T456-R460 WeakPolarHBondContact O-CG 3.47Å; T456-R460 PolarHBondContact O-N 2.68Å; L457-R460 WeakPolarHBondContact O-CA 3.42Å; L457-R460 PolarHBondContact O-N 3.1Å; R460-R462 PolarHBondContact O-N 3.48Å
461L93.9Very high94.4Very high41 Ų4173.3 Ų73.322%0.21538%0.377CS..  trans-62.9131.7177.9-69.9174.5000110.6L457 C466 K467 M470L457-L461 HydrophobicContact CD1-CD2 4.24Å; L457-L461 HydrophobicContact CD1-CG 4.2Å; L457-L461 HydrophobicContact CG-CD1 4.16Å; L457-L461 HydrophobicContact CG-CG 4.25Å; L457-L461 WeakPolarHBondContact O-CG 3.49Å; L457-L461 PolarHBondContact O-N 3.04Å; L461-C466 HydrophobicContact CB-CB 4.4Å; L461-C466 HydrophobicContact CD1-CB 4.2Å; L461-C466 HydrophobicContact CD2-CB 3.98Å; L461-C466 HydrophobicContact CG-CB 4.42Å; L461-K467 HydrophobicContact CB-CG 3.91Å; L461-K467 WeakPolarHBondContact O-CE 3.31Å; L461-K467 PolarHBondContact O-NZ 3Å; L461-M470 HydrophobicContact CD1-CB 3.83Å; L461-M470 HydrophobicContact CD1-CG 4.16Å; L461-M470 HydrophobicContact CD1-SD 4.36Å
462R91.4Very high94.4Very high242 Ų24277.2 Ų77.291%0.91340%0.404SS*.  trans-87.2-43.9-175.2-67.2-175.1178.3-178.4-0.6113.4R460R460-R462 PolarHBondContact O-N 3.48Å
463T94.7Very high94.4Very high73 Ų7383.3 Ų83.345%0.44844%0.435SS..SBendtrans-88.4152-173.169.70000112.4A465 C466 K467T463-A465 VanDerWaalsContact C-N 3.3Å; T463-A465 PolarHBondContact O-N 3.01Å; T463-C466 WeakPolarHBondContact OG1-CB 3.43Å; T463-C466 PolarHBondContact OG1-N 3.23Å; T463-C466 VanDerWaalsContact OG1-N 3.14Å; T463-C466 PolarHBondContact OG1-SG 3.42Å; T463-K467 WeakPolarHBondContact O-CG 3.4Å; T463-K467 PolarHBondContact O-N 2.87Å
464R93.3Very high94.5Very high230 Ų23082.3 Ų82.387%0.86842%0.422SS*.Hα-helixtrans-62.8-37.8172.5-68-174.7-178.9-177.80.9111.7K467 A468R464-K467 PolarHBondContact O-N 2.94Å; R464-A468 WeakPolarHBondContact O-CB 3.49Å; R464-A468 PolarHBondContact O-N 2.9Å
465A94.6Very high94.6Very high73 Ų7386.6 Ų86.660%0.60344%0.442SS*.Hα-helixtrans-60-49.4177.700000112.5T463 K467 A468 A469T463-A465 VanDerWaalsContact C-N 3.3Å; T463-A465 PolarHBondContact O-N 3.01Å; A465-K467 VanDerWaalsContact C-N 3.32Å; A465-K467 PolarHBondContact O-N 3.29Å; A465-A468 PolarHBondContact O-N 3.43Å; A465-A469 WeakPolarHBondContact O-CB 3.39Å; A465-A469 PolarHBondContact O-N 3.12Å
466C93.6Very high94.7Very high61 Ų6185.1 Ų85.141%0.41245%0.447SS..Hα-helixtrans-65.2-36.4177.9-63.20000112.2L461 T463 M470L461-C466 HydrophobicContact CB-CB 4.4Å; L461-C466 HydrophobicContact CD1-CB 4.2Å; L461-C466 HydrophobicContact CD2-CB 3.98Å; L461-C466 HydrophobicContact CG-CB 4.42Å; T463-C466 WeakPolarHBondContact OG1-CB 3.43Å; T463-C466 PolarHBondContact OG1-N 3.23Å; T463-C466 VanDerWaalsContact OG1-N 3.14Å; T463-C466 PolarHBondContact OG1-SG 3.42Å; C466-M470 WeakPolarHBondContact O-CB 3.03Å; C466-M470 PolarHBondContact O-N 3.21Å
467K94.2Very high94.9Very high55 Ų5586.2 Ų86.224%0.23945%0.451CS..Hα-helixtrans-63-46.1174.2-74.5-176.5-170.5-1680112Y458 L461 T463 R464 A465 M470 L471Y458-K467 HydrophobicContact CD2-CB 4.1Å; Y458-K467 HydrophobicContact CD2-CD 4.44Å; Y458-K467 HydrophobicContact CD2-CG 4.05Å; Y458-K467 HydrophobicContact CE1-CD 4.22Å; Y458-K467 HydrophobicContact CE2-CB 3.64Å; Y458-K467 HydrophobicContact CE2-CD 4Å; Y458-K467 HydrophobicContact CE2-CG 3.88Å; Y458-K467 WeakPolarHBondContact O-CE 3.12Å; L461-K467 HydrophobicContact CB-CG 3.91Å; L461-K467 WeakPolarHBondContact O-CE 3.31Å; L461-K467 PolarHBondContact O-NZ 3Å; T463-K467 WeakPolarHBondContact O-CG 3.4Å; T463-K467 PolarHBondContact O-N 2.87Å; R464-K467 PolarHBondContact O-N 2.94Å; A465-K467 VanDerWaalsContact C-N 3.32Å; A465-K467 PolarHBondContact O-N 3.29Å; K467-M470 PolarHBondContact O-N 3.22Å; K467-L471 WeakPolarHBondContact O-CG 3.24Å; K467-L471 PolarHBondContact O-N 3.33Å
468A94.9Very high95.1Very high52 Ų5283.1 Ų83.143%0.4344%0.436SS..Hα-helixtrans-60.6-49.8175.300000111.1R464 A465 M470 L471 C472R464-A468 WeakPolarHBondContact O-CB 3.49Å; R464-A468 PolarHBondContact O-N 2.9Å; A465-A468 PolarHBondContact O-N 3.43Å; A468-M470 VanDerWaalsContact C-N 3.32Å; A468-M470 PolarHBondContact O-N 2.97Å; A468-L471 PolarHBondContact O-N 3.43Å; A468-L471 VanDerWaalsContact O-N 3.09Å; A468-C472 PolarHBondContact O-N 2.96Å; A468-C472 PolarHBondContact O-SG 3.31Å
469A95.6Very high95.3Very high52 Ų5285.2 Ų85.243%0.4345%0.452SS..Hα-helixtrans-56.7-43.4177.600000112.5A465 L471 C472 L473A465-A469 WeakPolarHBondContact O-CB 3.39Å; A465-A469 PolarHBondContact O-N 3.12Å; A469-L471 PolarHBondContact O-N 3.33Å; A469-C472 PolarHBondContact O-N 2.92Å; A469-L473 WeakPolarHBondContact O-CG 3.4Å; A469-L473 PolarHBondContact O-N 3.46Å
470M95.1Very high95.6Very high16 Ų1684.2 Ų84.28%0.07944%0.442CS..Hα-helixtrans-64.1-38.3176.7-168.2-127.6101.900112.5W115 A454 L457 Y458 L461 C466 K467 A468 L473 C474W115-M470 HydrophobicContact CH2-CE 4.2Å; W115-M470 HydrophobicContact CZ3-CE 4.09Å; A454-M470 HydrophobicContact CB-CE 3.75Å; L457-M470 HydrophobicContact CB-SD 4.34Å; L457-M470 HydrophobicContact CD2-CG 4Å; L457-M470 HydrophobicContact CD2-SD 4.34Å; L457-M470 HydrophobicContact CG-CG 4.43Å; L457-M470 HydrophobicContact CG-SD 4.29Å; Y458-M470 HydrophobicContact CD2-SD 4.31Å; L461-M470 HydrophobicContact CD1-CB 3.83Å; L461-M470 HydrophobicContact CD1-CG 4.16Å; L461-M470 HydrophobicContact CD1-SD 4.36Å; C466-M470 WeakPolarHBondContact O-CB 3.03Å; C466-M470 PolarHBondContact O-N 3.21Å; K467-M470 PolarHBondContact O-N 3.22Å; A468-M470 VanDerWaalsContact C-N 3.32Å; A468-M470 PolarHBondContact O-N 2.97Å; M470-L473 PolarHBondContact O-N 2.62Å; M470-C474 VanDerWaalsContact CE-SG 3.51Å; M470-C474 PolarHBondContact O-N 2.65Å; M470-C474 VanDerWaalsContact O-N 3.09Å; M470-C474 PolarHBondContact O-SG 3.5Å
471L95.5Very high95.8Very high42 Ų4276 Ų7622%0.2241%0.411CS..Hα-helixtrans-69.3-40.2173.8-67.4-175.8000112.1L114 W115 Y458 K467 A468 A469 L473 C474 I475L114-L471 HydrophobicContact CD2-CD1 4.08Å; L114-L471 HydrophobicContact CD2-CD2 3.63Å; W115-L471 HydrophobicContact CH2-CD2 4.01Å; W115-L471 HydrophobicContact CZ3-CD2 4.36Å; Y458-L471 HydrophobicContact CD2-CD1 4.5Å; Y458-L471 HydrophobicContact CD2-CD2 4.14Å; Y458-L471 HydrophobicContact CD2-CG 4.18Å; Y458-L471 HydrophobicContact CE2-CD1 3.8Å; Y458-L471 HydrophobicContact CE2-CD2 4.23Å; Y458-L471 HydrophobicContact CE2-CG 3.94Å; K467-L471 WeakPolarHBondContact O-CG 3.24Å; K467-L471 PolarHBondContact O-N 3.33Å; A468-L471 PolarHBondContact O-N 3.43Å; A468-L471 VanDerWaalsContact O-N 3.09Å; A469-L471 PolarHBondContact O-N 3.33Å; L471-L473 VanDerWaalsContact C-N 3.31Å; L471-L473 PolarHBondContact O-N 3.29Å; L471-C474 PolarHBondContact O-N 2.89Å; L471-I475 WeakPolarHBondContact O-CG1 3.32Å; L471-I475 PolarHBondContact O-N 3Å
472C96.9Very high96Very high83 Ų8374.3 Ų74.356%0.56141%0.405SS*.Hα-helixtrans-60.2-39.5173-66.90000111.8A468 A469 I475 G476A468-C472 PolarHBondContact O-N 2.96Å; A468-C472 PolarHBondContact O-SG 3.31Å; A469-C472 PolarHBondContact O-N 2.92Å; C472-I475 PolarHBondContact O-N 2.9Å; C472-G476 PolarHBondContact O-N 2.98Å
473L96.9Very high96.3Very high130 Ų13067.5 Ų67.568%0.68139%0.386SS*.Hα-helixtrans-64.1-42.3173.6-72.3170000112.2A469 M470 L471 G476 L477A469-L473 WeakPolarHBondContact O-CG 3.4Å; A469-L473 PolarHBondContact O-N 3.46Å; M470-L473 PolarHBondContact O-N 2.62Å; L471-L473 VanDerWaalsContact C-N 3.31Å; L471-L473 PolarHBondContact O-N 3.29Å; L473-G476 PolarHBondContact O-N 3.26Å; L473-L477 WeakPolarHBondContact O-CB 3.49Å; L473-L477 PolarHBondContact O-N 3.44Å
474C97.3Very high96.5Very high19 Ų1967.9 Ų67.913%0.12838%0.379CS..Hα-helixtrans-64-40.5174.7-72.50000112.9L118 M470 L471 L477 V478L118-C474 HydrophobicContact CD1-CB 3.91Å; L118-C474 HydrophobicContact CD2-CB 4.15Å; M470-C474 VanDerWaalsContact CE-SG 3.51Å; M470-C474 PolarHBondContact O-N 2.65Å; M470-C474 VanDerWaalsContact O-N 3.09Å; M470-C474 PolarHBondContact O-SG 3.5Å; L471-C474 PolarHBondContact O-N 2.89Å; C474-L477 PolarHBondContact O-N 2.76Å; C474-V478 WeakPolarHBondContact O-CG2 3.46Å; C474-V478 PolarHBondContact O-N 2.89Å; C474-V478 VanDerWaalsContact O-N 3.14Å
475I97.7Very high96.7Very high102 Ų10256.9 Ų56.952%0.52334%0.338SS..Hα-helixtrans-65.7-46.2175.4-67.6164.2000110.1L471 C472 L477 V478 L479L471-I475 WeakPolarHBondContact O-CG1 3.32Å; L471-I475 PolarHBondContact O-N 3Å; C472-I475 PolarHBondContact O-N 2.9Å; I475-L477 VanDerWaalsContact C-N 3.31Å; I475-L477 PolarHBondContact O-N 3.45Å; I475-V478 PolarHBondContact O-N 3.4Å; I475-L479 HydrophobicContact CG2-CD1 3.88Å; I475-L479 HydrophobicContact CG2-CG 4.32Å; I475-L479 WeakPolarHBondContact O-CG 3.32Å; I475-L479 PolarHBondContact O-N 3.39Å
476G97.9Very high96.9Very high35 Ų3555.4 Ų55.436%0.36132%0.321SS..Hα-helixtrans-58.9-39.4176.600000112.8C472 L473 L479 L480C472-G476 PolarHBondContact O-N 2.98Å; L473-G476 PolarHBondContact O-N 3.26Å; G476-L479 PolarHBondContact O-N 3.46Å; G476-L480 VanDerWaalsContact O-CB 3.23Å; G476-L480 WeakPolarHBondContact O-CB 3.41Å; G476-L480 PolarHBondContact O-N 2.96Å
477L97.1Very high97Very high58 Ų5857.3 Ų57.330%0.30432%0.324SS..Hα-helixtrans-64-45.7174.5-179.661.1000112.2L122 L473 C474 I475 L480 N481L122-L477 HydrophobicContact CD2-CD2 3.89Å; L122-L477 HydrophobicContact CD2-CG 4.03Å; L473-L477 WeakPolarHBondContact O-CB 3.49Å; L473-L477 PolarHBondContact O-N 3.44Å; C474-L477 PolarHBondContact O-N 2.76Å; I475-L477 VanDerWaalsContact C-N 3.31Å; I475-L477 PolarHBondContact O-N 3.45Å; L477-L480 PolarHBondContact O-N 3.3Å; L477-N481 VanDerWaalsContact O-CB 3.27Å; L477-N481 WeakPolarHBondContact O-CB 3.3Å; L477-N481 VanDerWaalsContact O-CG 3.31Å; L477-N481 PolarHBondContact O-N 2.9Å
478V98.3Very high97.2Very high20 Ų2055.4 Ų55.412%0.12132%0.315CS..Hα-helixtrans-62-42.6175.8169.20000111.4L118 L121 L122 C474 I475 G482L118-V478 HydrophobicContact CD1-CG2 4.05Å; L121-V478 HydrophobicContact CB-CG1 3.96Å; L121-V478 HydrophobicContact CB-CG2 4.14Å; L122-V478 HydrophobicContact CD2-CG2 3.76Å; L122-V478 HydrophobicContact CG-CG2 4.03Å; C474-V478 WeakPolarHBondContact O-CG2 3.46Å; C474-V478 PolarHBondContact O-N 2.89Å; C474-V478 VanDerWaalsContact O-N 3.14Å; I475-V478 PolarHBondContact O-N 3.4Å; V478-G482 PolarHBondContact O-N 3.36Å
479L98.3Very high97.3Very high118 Ų11853 Ų5362%0.61830%0.295SS*.Hα-helixtrans-68.3-41.2178.5-68.6174.8000112.4I475 G476 G482 L483I475-L479 HydrophobicContact CG2-CD1 3.88Å; I475-L479 HydrophobicContact CG2-CG 4.32Å; I475-L479 WeakPolarHBondContact O-CG 3.32Å; I475-L479 PolarHBondContact O-N 3.39Å; G476-L479 PolarHBondContact O-N 3.46Å; L479-G482 PolarHBondContact O-N 3.25Å; L479-L483 WeakPolarHBondContact O-CB 3.19Å; L479-L483 PolarHBondContact O-N 3.39Å
480L97.4Very high97.4Very high85 Ų8558.4 Ų58.445%0.44530%0.304SS..Hα-helixtrans-63.2-44.4175.7177.662.6000111.4G476 L477 L483 R484G476-L480 VanDerWaalsContact O-CB 3.23Å; G476-L480 WeakPolarHBondContact O-CB 3.41Å; G476-L480 PolarHBondContact O-N 2.96Å; L477-L480 PolarHBondContact O-N 3.3Å; L480-L483 PolarHBondContact O-N 3.43Å; L480-R484 WeakPolarHBondContact O-CB 3.5Å; L480-R484 PolarHBondContact O-N 3.3Å
481N97.8Very high97.5Very high8 Ų859.9 Ų59.94%0.04331%0.312CS..Hα-helixtrans-60.8-48.5174.5-814.1000110.7S125 P127 L477 L483 R484 T485S125-N481 CarbonylContact O-C 3.6Å; S125-N481 WeakPolarHBondContact O-CB 3.34Å; S125-N481 VanDerWaalsContact O-O 3.04Å; P127-N481 HydrophobicContact CG-CB 4.47Å; P127-N481 WeakPolarHBondContact CG-O 3.48Å; L477-N481 VanDerWaalsContact O-CB 3.27Å; L477-N481 WeakPolarHBondContact O-CB 3.3Å; L477-N481 VanDerWaalsContact O-CG 3.31Å; L477-N481 PolarHBondContact O-N 2.9Å; N481-L483 PolarHBondContact O-N 3.23Å; N481-R484 PolarHBondContact O-N 2.89Å; N481-T485 WeakPolarHBondContact O-CB 3.46Å; N481-T485 PolarHBondContact O-N 3.42Å; N481-T485 PolarHBondContact O-OG1 3.01Å; N481-T485 VanDerWaalsContact O-OG1 3.05Å
482G98.2Very high97.5Very high7 Ų758.3 Ų58.37%0.07230%0.304CS..Hα-helixtrans-59.3-44177.500000113V478 L479 T485 V486V478-G482 PolarHBondContact O-N 3.36Å; L479-G482 PolarHBondContact O-N 3.25Å; G482-T485 PolarHBondContact O-N 3.5Å; G482-V486 WeakPolarHBondContact O-CG2 2.97Å; G482-V486 PolarHBondContact O-N 3.01Å
483L97.8Very high97.5Very high99 Ų9956.1 Ų56.152%0.51829%0.289SS..Hα-helixtrans-62.4-45.6176-179.363.3000111.9L479 L480 N481 T485 V486 Q487L479-L483 WeakPolarHBondContact O-CB 3.19Å; L479-L483 PolarHBondContact O-N 3.39Å; L480-L483 PolarHBondContact O-N 3.43Å; N481-L483 PolarHBondContact O-N 3.23Å; L483-T485 VanDerWaalsContact C-N 3.32Å; L483-T485 PolarHBondContact O-N 2.89Å; L483-V486 PolarHBondContact O-N 3.47Å; L483-Q487 WeakPolarHBondContact O-CB 3.28Å; L483-Q487 VanDerWaalsContact O-CG 3.3Å; L483-Q487 WeakPolarHBondContact O-CG 3.46Å; L483-Q487 PolarHBondContact O-N 3.32Å
484R97.4Very high97.5Very high80 Ų8052.5 Ų52.530%0.30227%0.27SS..Hα-helixtrans-63.6-35.9176.4-80.7-169176.2-1722.9112.4P127 P302 L480 N481 Q487 R488P127-R484 HydrophobicContact CB-CB 4.16Å; P127-R484 HydrophobicContact CG-CB 3.51Å; P302-R484 VanDerWaalsContact C-NH1 3.27Å; P302-R484 PolarHBondContact O-NH1 2.89Å; L480-R484 WeakPolarHBondContact O-CB 3.5Å; L480-R484 PolarHBondContact O-N 3.3Å; N481-R484 PolarHBondContact O-N 2.89Å; R484-Q487 PolarHBondContact O-N 2.87Å; R484-R488 VanDerWaalsContact O-CB 3.23Å; R484-R488 WeakPolarHBondContact O-CB 3.4Å; R484-R488 PolarHBondContact O-N 3.29Å
485T98.3Very high97.4Very high0 Ų054.2 Ų54.20%028%0.277CS..Hα-helixtrans-63.7-51.2174.2-64.40000111.3L14 Y15 S125 P127 N481 G482 L483 Q487 R488 N489L14-T485 HydrophobicContact CB-CG2 4.48Å; Y15-T485 HydrophobicContact CD2-CG2 4.47Å; Y15-T485 HydrophobicContact CE1-CG2 3.88Å; Y15-T485 HydrophobicContact CE2-CG2 3.76Å; Y15-T485 VanDerWaalsContact CZ-CG2 3.4Å; Y15-T485 WeakPolarHBondContact OH-CG2 3.26Å; S125-T485 PolarHBondContact O-OG1 2.97Å; P127-T485 WeakPolarHBondContact CA-OG1 3.26Å; N481-T485 WeakPolarHBondContact O-CB 3.46Å; N481-T485 PolarHBondContact O-N 3.42Å; N481-T485 PolarHBondContact O-OG1 3.01Å; N481-T485 VanDerWaalsContact O-OG1 3.05Å; G482-T485 PolarHBondContact O-N 3.5Å; L483-T485 VanDerWaalsContact C-N 3.32Å; L483-T485 PolarHBondContact O-N 2.89Å; T485-Q487 PolarHBondContact O-N 2.88Å; T485-R488 PolarHBondContact O-N 2.75Å; T485-N489 WeakPolarHBondContact O-CB 3.32Å; T485-N489 PolarHBondContact O-N 3.14Å; T485-N489 PolarHBondContact O-OD1 3.47Å
486V98.2Very high97.3Very high42 Ų4250.8 Ų50.826%0.25526%0.258SS..Hα-helixtrans-60.6-34.4177.3172.90000112L14 N17 G482 L483L14-V486 HydrophobicContact CB-CG2 4.41Å; L14-V486 HydrophobicContact CD2-CG2 3.69Å; L14-V486 WeakPolarHBondContact O-CG2 3.5Å; N17-V486 PolarHBondContact ND2-O 3.25Å; N17-V486 VanDerWaalsContact ND2-O 3.09Å; G482-V486 WeakPolarHBondContact O-CG2 2.97Å; G482-V486 PolarHBondContact O-N 3.01Å; L483-V486 PolarHBondContact O-N 3.47Å
487Q97.1Very high97.3Very high101 Ų10152 Ų5247%0.47226%0.257SS..Hα-helixtrans-67.3-53.6172.3-73.6171.8-12.700111.6L483 R484 T485 N489 R490L483-Q487 WeakPolarHBondContact O-CB 3.28Å; L483-Q487 VanDerWaalsContact O-CG 3.3Å; L483-Q487 WeakPolarHBondContact O-CG 3.46Å; L483-Q487 PolarHBondContact O-N 3.32Å; R484-Q487 PolarHBondContact O-N 2.87Å; T485-Q487 PolarHBondContact O-N 2.88Å; Q487-N489 PolarHBondContact O-N 3.17Å; Q487-R490 VanDerWaalsContact O-CB 3.28Å; Q487-R490 WeakPolarHBondContact O-CB 3.47Å; Q487-R490 PolarHBondContact O-N 2.83Å
488R96.9Very high97.3Very high14 Ų1449.3 Ų49.35%0.05324%0.242CC..Hα-helixtrans-60.6-30.8-179-175.856.2176.51462.6112.6T130 L305 E436 R484 T485 R490 D491 S501T130-R488 HydrophobicContact CG2-CB 4.13Å; T130-R488 HydrophobicContact CG2-CG 3.64Å; L305-R488 HydrophobicContact CD1-CG 3.94Å; E436-R488 IonicContact OE1-NH2 2.71Å; E436-R488 PolarHBondContact OE1-NH2 3.19Å; R484-R488 VanDerWaalsContact O-CB 3.23Å; R484-R488 WeakPolarHBondContact O-CB 3.4Å; R484-R488 PolarHBondContact O-N 3.29Å; T485-R488 PolarHBondContact O-N 2.75Å; R488-R490 PolarHBondContact O-N 3.41Å; R488-D491 WeakPolarHBondContact CD-OD2 3.45Å; R488-D491 IonicContact CZ-OD2 2.9Å; R488-D491 IonicContact NE-OD2 2.62Å; R488-D491 IonicContact NH1-OD2 3.87Å; R488-D491 PolarHBondContact NH1-OD2 2.94Å; R488-D491 WeakPolarHBondContact O-CB 3.45Å; R488-D491 PolarHBondContact O-N 3.22Å; R488-D491 VanDerWaalsContact O-N 3.16Å; R488-S501 PolarHBondContact NH1-OG 3.21Å
489N97.9Very high97.2Very high1 Ų148.9 Ų48.91%0.00524%0.239CC..Hα-helixtrans-57.1-31172.4-74.9-8.5000113.1L14 Y15 N17 T18 T130 T485 Q487 D491 W492L14-N489 PolarHBondContact O-ND2 2.97Å; Y15-N489 VanDerWaalsContact CD1-ND2 3.29Å; Y15-N489 WeakPolarHBondContact CD1-ND2 3.46Å; Y15-N489 VanDerWaalsContact CD1-OD1 3.24Å; Y15-N489 WeakPolarHBondContact CD1-OD1 3.05Å; Y15-N489 WeakPolarHBondContact CE1-OD1 3.19Å; N17-N489 WeakPolarHBondContact ND2-CB 3.45Å; N17-N489 PolarHBondContact OD1-ND2 3.45Å; T18-N489 HydrophobicContact CG2-CB 3.66Å; T130-N489 WeakPolarHBondContact CG2-OD1 3.43Å; T485-N489 WeakPolarHBondContact O-CB 3.32Å; T485-N489 PolarHBondContact O-N 3.14Å; T485-N489 PolarHBondContact O-OD1 3.47Å; Q487-N489 PolarHBondContact O-N 3.17Å; N489-D491 VanDerWaalsContact C-N 3.29Å; N489-D491 PolarHBondContact O-N 2.7Å; N489-W492 PolarHBondContact O-N 3.48Å
490R96.9Very high97.2Very high166 Ų16647.7 Ų47.763%0.62623%0.229SC*.Hα-helixtrans-69.3-29.2179.9-60.6178.4176.7-172.4-4.5112.5Q487 R488 W492 S493Q487-R490 VanDerWaalsContact O-CB 3.28Å; Q487-R490 WeakPolarHBondContact O-CB 3.47Å; Q487-R490 PolarHBondContact O-N 2.83Å; R488-R490 PolarHBondContact O-N 3.41Å; R490-W492 PolarHBondContact O-N 2.99Å; R490-S493 VanDerWaalsContact O-CB 3.3Å; R490-S493 WeakPolarHBondContact O-CB 3.5Å; R490-S493 PolarHBondContact O-N 3.31Å; R490-S493 VanDerWaalsContact O-N 3.16Å; R490-S493 PolarHBondContact O-OG 3.03Å
491D96.8Very high97.1Very high47 Ų4744.6 Ų44.625%0.25121%0.214SC..Hα-helixtrans-62.8-31.6175.1-58.3-21.3000110.6R488 N489 S493 N497 L498 S501R488-D491 WeakPolarHBondContact CD-OD2 3.45Å; R488-D491 IonicContact CZ-OD2 2.9Å; R488-D491 IonicContact NE-OD2 2.62Å; R488-D491 IonicContact NH1-OD2 3.87Å; R488-D491 PolarHBondContact NH1-OD2 2.94Å; R488-D491 WeakPolarHBondContact O-CB 3.45Å; R488-D491 PolarHBondContact O-N 3.22Å; R488-D491 VanDerWaalsContact O-N 3.16Å; N489-D491 VanDerWaalsContact C-N 3.29Å; N489-D491 PolarHBondContact O-N 2.7Å; D491-S493 VanDerWaalsContact C-N 3.31Å; D491-S493 PolarHBondContact O-N 3.09Å; D491-N497 CarbonylContact O-C 3.17Å; D491-L498 HydrophobicContact CB-CD1 4.49Å; D491-L498 WeakPolarHBondContact O-CA 3.3Å; D491-L498 VanDerWaalsContact O-CB 3.29Å; D491-L498 WeakPolarHBondContact O-CB 3.34Å; D491-L498 PolarHBondContact O-N 2.9Å; D491-S501 VanDerWaalsContact CG-CB 3.43Å
492W96.9Very high97Very high10 Ų1044.2 Ų44.24%0.03821%0.212CC..THydrogen-bonded Turntrans-8711.6178.3-68.583.6000114.2A21 C24 E131 A134 G135 F307 N489 R490 L498A21-W492 WeakPolarHBondContact CB-O 3.48Å; C24-W492 HydrophobicContact CB-CE3 4.42Å; E131-W492 HydrophobicContact CB-CH2 4.5Å; E131-W492 HydrophobicContact CB-CZ2 3.93Å; E131-W492 HydrophobicContact CG-CH2 3.8Å; E131-W492 HydrophobicContact CG-CZ2 3.68Å; A134-W492 HydrophobicContact CB-CB 3.73Å; A134-W492 HydrophobicContact CB-CD2 4.41Å; A134-W492 HydrophobicContact CB-CG 3.82Å; G135-W492 VanDerWaalsContact CA-CE3 3.48Å; F307-W492 HydrophobicContact CB-CH2 4.39Å; F307-W492 HydrophobicContact CB-CZ2 4.26Å; N489-W492 PolarHBondContact O-N 3.48Å; R490-W492 PolarHBondContact O-N 2.99Å; W492-L498 HydrophobicContact CD2-CD1 3.7Å; W492-L498 HydrophobicContact CD2-CD2 4.4Å; W492-L498 HydrophobicContact CE3-CD1 4.1Å; W492-L498 HydrophobicContact CE3-CD2 3.94Å; W492-L498 HydrophobicContact CG-CD1 4.03Å; W492-L498 HydrophobicContact CH2-CD1 4.37Å; W492-L498 HydrophobicContact CH2-CD2 4.21Å; W492-L498 HydrophobicContact CZ2-CD1 3.99Å; W492-L498 HydrophobicContact CZ3-CD1 4.42Å; W492-L498 HydrophobicContact CZ3-CD2 3.85Å
493S96.8Very high96.9Very high36 Ų3645.6 Ų45.625%0.25222%0.217SC..THydrogen-bonded Turntrans-70.7-31.9-179.154.70000114A21 D22 R490 D491 N497A21-S493 WeakPolarHBondContact CA-O 3.44Å; D22-S493 PolarHBondContact N-O 3.4Å; R490-S493 VanDerWaalsContact O-CB 3.3Å; R490-S493 WeakPolarHBondContact O-CB 3.5Å; R490-S493 PolarHBondContact O-N 3.31Å; R490-S493 VanDerWaalsContact O-N 3.16Å; R490-S493 PolarHBondContact O-OG 3.03Å; D491-S493 VanDerWaalsContact C-N 3.31Å; D491-S493 PolarHBondContact O-N 3.09Å; S493-N497 PolarHBondContact OG-ND2 2.69Å
494N96.1Very high96.7Very high54 Ų5446.7 Ų46.729%0.28922%0.219SC..SBendtrans-164.9166.7175.657.466.8000109.7C24 E496 N497 L498C24-N494 WeakPolarHBondContact SG-CA 3.46Å; N494-E496 VanDerWaalsContact C-N 3.31Å; N494-E496 PolarHBondContact O-N 2.91Å; N494-E496 WeakPolarHBondContact OD1-CB 3.27Å; N494-E496 PolarHBondContact OD1-N 3.49Å; N494-N497 PolarHBondContact ND2-ND2 2.82Å; N494-N497 PolarHBondContact O-N 3.46Å; N494-N497 PolarHBondContact OD1-N 3.31Å; N494-L498 PolarHBondContact O-N 3.3Å
495E95.3Very high96.5Very high56 Ų5643.6 Ų43.626%0.26221%0.209SC..Hα-helixtrans-58.2-38-178.2-67.6-159.2108.300114C24 Y25 L498 Y499 V517C24-E495 HydrophobicContact CB-CG 4.39Å; Y25-E495 PolarHBondContact N-OE1 2.87Å; E495-L498 PolarHBondContact O-N 3.3Å; E495-Y499 HydrophobicContact CB-CD2 4.2Å; E495-Y499 HydrophobicContact CB-CE2 3.67Å; E495-Y499 HydrophobicContact CG-CE2 4.28Å; E495-Y499 WeakPolarHBondContact O-CB 3.44Å; E495-Y499 WeakPolarHBondContact O-CD2 3.45Å; E495-Y499 VanDerWaalsContact O-CG 3.25Å; E495-Y499 PolarHBondContact O-N 2.96Å; E495-Y499 PolarHBondContact OE1-OH 2.94Å; E495-V517 HydrophobicContact CB-CG2 3.84Å
496E96.3Very high96.4Very high29 Ų2943.7 Ų43.714%0.13621%0.21CC..Hα-helixtrans-63.7-46.7-178.6-170.3-179.2147.800111.2N494 K500 L514 V517 Q521 K523N494-E496 VanDerWaalsContact C-N 3.31Å; N494-E496 PolarHBondContact O-N 2.91Å; N494-E496 WeakPolarHBondContact OD1-CB 3.27Å; N494-E496 PolarHBondContact OD1-N 3.49Å; E496-K500 HydrophobicContact CG-CD 4.31Å; E496-K500 WeakPolarHBondContact O-CB 3.45Å; E496-K500 VanDerWaalsContact O-CG 3.22Å; E496-K500 WeakPolarHBondContact O-CG 3.42Å; E496-K500 PolarHBondContact O-N 3.38Å; E496-K500 WeakPolarHBondContact OE1-CE 3.4Å; E496-K500 IonicContact OE1-NZ 3.63Å; E496-K500 PolarHBondContact OE1-NZ 3.17Å; E496-L514 HydrophobicContact CG-CD1 3.75Å; E496-V517 HydrophobicContact CB-CG1 4.17Å; E496-Q521 PolarHBondContact OE2-NE2 3.33Å; E496-Q521 PolarHBondContact OE2-OE1 3.23Å; E496-K523 IonicContact OE2-NZ 2.58Å
497N96.9Very high96.2Very high62 Ų6242.9 Ų42.933%0.33221%0.205SC..Hα-helixtrans-65.9-39.9175.3-75.5-21.7000111.7D491 S493 N494 K500 S501D491-N497 CarbonylContact O-C 3.17Å; S493-N497 PolarHBondContact OG-ND2 2.69Å; N494-N497 PolarHBondContact ND2-ND2 2.82Å; N494-N497 PolarHBondContact O-N 3.46Å; N494-N497 PolarHBondContact OD1-N 3.31Å; N497-K500 PolarHBondContact O-N 3.35Å; N497-S501 WeakPolarHBondContact O-CB 3.4Å; N497-S501 PolarHBondContact O-N 2.89Å
498L97.3Very high96.1Very high0 Ų038.3 Ų38.30%019%0.185CC..Hα-helixtrans-64.2-48.7-179.2-170.762.8000111.1C24 F307 D491 W492 N494 E495 S501 G502C24-L498 HydrophobicContact CB-CD2 3.67Å; F307-L498 HydrophobicContact CB-CD1 3.74Å; F307-L498 HydrophobicContact CB-CD2 4.02Å; F307-L498 HydrophobicContact CB-CG 3.79Å; F307-L498 HydrophobicContact CD1-CG 4.24Å; F307-L498 HydrophobicContact CG-CD1 4.48Å; F307-L498 HydrophobicContact CG-CD2 4.41Å; F307-L498 HydrophobicContact CG-CG 4.08Å; D491-L498 HydrophobicContact CB-CD1 4.49Å; D491-L498 WeakPolarHBondContact O-CA 3.3Å; D491-L498 VanDerWaalsContact O-CB 3.29Å; D491-L498 WeakPolarHBondContact O-CB 3.34Å; D491-L498 PolarHBondContact O-N 2.9Å; W492-L498 HydrophobicContact CD2-CD1 3.7Å; W492-L498 HydrophobicContact CD2-CD2 4.4Å; W492-L498 HydrophobicContact CE3-CD1 4.1Å; W492-L498 HydrophobicContact CE3-CD2 3.94Å; W492-L498 HydrophobicContact CG-CD1 4.03Å; W492-L498 HydrophobicContact CH2-CD1 4.37Å; W492-L498 HydrophobicContact CH2-CD2 4.21Å; W492-L498 HydrophobicContact CZ2-CD1 3.99Å; W492-L498 HydrophobicContact CZ3-CD1 4.42Å; W492-L498 HydrophobicContact CZ3-CD2 3.85Å; N494-L498 PolarHBondContact O-N 3.3Å; E495-L498 PolarHBondContact O-N 3.3Å; L498-S501 PolarHBondContact O-N 2.86Å; L498-S501 PolarHBondContact O-OG 3.4Å; L498-G502 PolarHBondContact O-N 2.72Å
499Y97.5Very high95.9Very high11 Ų1139.6 Ų39.64%0.04319%0.191CC..Hα-helixtrans-66.9-41.4177.9-58.8-37.3000111.5Y25 F307 E495 S501 G502 I503 A510 N513 V517Y25-Y499 WeakPolarHBondContact CA-OH 3.25Å; Y25-Y499 AromaticContact CD2-CE1 3.71Å; Y25-Y499 HydrophobicContact CD2-CE1 3.71Å; Y25-Y499 HydrophobicContact CE2-CE1 4.42Å; Y25-Y499 HydrophobicContact CG-CE1 4.26Å; F307-Y499 HydrophobicContact CD1-CD1 4.42Å; F307-Y499 HydrophobicContact CD2-CE1 4.41Å; F307-Y499 AromaticContact CE1-CD1 3.84Å; F307-Y499 HydrophobicContact CE1-CD1 3.84Å; F307-Y499 AromaticContact CE2-CD1 3.94Å; F307-Y499 HydrophobicContact CE2-CD1 3.94Å; F307-Y499 AromaticContact CE2-CE1 3.95Å; F307-Y499 HydrophobicContact CE2-CE1 3.95Å; F307-Y499 AromaticContact CZ-CD1 3.59Å; F307-Y499 HydrophobicContact CZ-CD1 3.59Å; F307-Y499 HydrophobicContact CZ-CE1 4.08Å; E495-Y499 HydrophobicContact CB-CD2 4.2Å; E495-Y499 HydrophobicContact CB-CE2 3.67Å; E495-Y499 HydrophobicContact CG-CE2 4.28Å; E495-Y499 WeakPolarHBondContact O-CB 3.44Å; E495-Y499 WeakPolarHBondContact O-CD2 3.45Å; E495-Y499 VanDerWaalsContact O-CG 3.25Å; E495-Y499 PolarHBondContact O-N 2.96Å; E495-Y499 PolarHBondContact OE1-OH 2.94Å; Y499-S501 VanDerWaalsContact C-N 3.31Å; Y499-S501 PolarHBondContact O-N 3.13Å; Y499-G502 PolarHBondContact O-N 2.94Å; Y499-G502 VanDerWaalsContact O-N 3.14Å; Y499-I503 PolarHBondContact O-N 3.31Å; Y499-A510 WeakPolarHBondContact O-CB 3.26Å; Y499-N513 HydrophobicContact CD1-CB 3.78Å; Y499-N513 HydrophobicContact CD2-CB 3.64Å; Y499-N513 HydrophobicContact CE1-CB 3.72Å; Y499-N513 WeakPolarHBondContact CE1-ND2 3.38Å; Y499-N513 HydrophobicContact CE2-CB 3.59Å; Y499-N513 HydrophobicContact CG-CB 3.77Å; Y499-V517 HydrophobicContact CD2-CG2 3.91Å; Y499-V517 HydrophobicContact CE2-CG2 3.67Å
500K97.3Very high95.9Very high94 Ų9439.6 Ų39.641%0.40919%0.191SC..Hα-helixtrans-56.4-43.4172.4-77.3174.5-173.7173.60112.3E496 N497 G502 I503 L514E496-K500 HydrophobicContact CG-CD 4.31Å; E496-K500 WeakPolarHBondContact O-CB 3.45Å; E496-K500 VanDerWaalsContact O-CG 3.22Å; E496-K500 WeakPolarHBondContact O-CG 3.42Å; E496-K500 PolarHBondContact O-N 3.38Å; E496-K500 WeakPolarHBondContact OE1-CE 3.4Å; E496-K500 IonicContact OE1-NZ 3.63Å; E496-K500 PolarHBondContact OE1-NZ 3.17Å; N497-K500 PolarHBondContact O-N 3.35Å; K500-G502 VanDerWaalsContact C-N 3.31Å; K500-G502 PolarHBondContact O-N 3.47Å; K500-I503 PolarHBondContact O-N 2.92Å; K500-L514 HydrophobicContact CG-CD1 4.38Å; K500-L514 HydrophobicContact CG-CD2 3.89Å
501S96Very high95.9Very high19 Ų1934.3 Ų34.313%0.13317%0.171CC..Hα-helixtrans-60-40.1177.381.60000112.1R488 D491 N497 L498 Y499 I503 H504R488-S501 PolarHBondContact NH1-OG 3.21Å; D491-S501 VanDerWaalsContact CG-CB 3.43Å; N497-S501 WeakPolarHBondContact O-CB 3.4Å; N497-S501 PolarHBondContact O-N 2.89Å; L498-S501 PolarHBondContact O-N 2.86Å; L498-S501 PolarHBondContact O-OG 3.4Å; Y499-S501 VanDerWaalsContact C-N 3.31Å; Y499-S501 PolarHBondContact O-N 3.13Å; S501-I503 PolarHBondContact O-N 3.38Å; S501-H504 PolarHBondContact O-CE1 2.96Å; S501-H504 VanDerWaalsContact O-CE1 3.27Å; S501-H504 PolarHBondContact O-ND1 3.28Å
502G95.2Very high95.9Very high0 Ų032.1 Ų32.10%016%0.16CC..Hα-helixtrans-79.4-8.9-175.400000116.1L498 Y499 K500 H504 V505 N506L498-G502 PolarHBondContact O-N 2.72Å; Y499-G502 PolarHBondContact O-N 2.94Å; Y499-G502 VanDerWaalsContact O-N 3.14Å; K500-G502 VanDerWaalsContact C-N 3.31Å; K500-G502 PolarHBondContact O-N 3.47Å; G502-H504 PolarHBondContact O-N 3.35Å; G502-H504 VanDerWaalsContact O-N 3.13Å; G502-V505 PolarHBondContact O-N 3.48Å; G502-N506 PolarHBondContact O-N 2.7Å
503I96.2Very high95.9Very high36 Ų3633.2 Ų33.219%0.18517%0.166CC..THydrogen-bonded Turntrans-53.5-37.6-178.4-70.8167000112Y499 K500 S501 V505 P507 A510 W511 L514Y499-I503 PolarHBondContact O-N 3.31Å; K500-I503 PolarHBondContact O-N 2.92Å; S501-I503 PolarHBondContact O-N 3.38Å; I503-V505 VanDerWaalsContact C-N 3.25Å; I503-V505 PolarHBondContact O-N 3.38Å; I503-P507 VanDerWaalsContact O-CA 3.26Å; I503-P507 WeakPolarHBondContact O-CA 3.38Å; I503-P507 WeakPolarHBondContact O-CB 3.26Å; I503-P507 WeakPolarHBondContact O-CD 3.22Å; I503-A510 HydrophobicContact CG1-CB 3.92Å; I503-W511 HydrophobicContact CD1-CD2 4.08Å; I503-W511 HydrophobicContact CD1-CE3 4.32Å; I503-W511 HydrophobicContact CD1-CH2 3.99Å; I503-W511 HydrophobicContact CD1-CZ2 3.74Å; I503-W511 HydrophobicContact CD1-CZ3 4.27Å; I503-W511 HydrophobicContact CG1-CD2 4.35Å; I503-W511 HydrophobicContact CG2-CZ2 4.28Å; I503-L514 HydrophobicContact CD1-CD2 4.23Å
504H93.6Very high96Very high122 Ų12231.7 Ų31.757%0.56516%0.155SC*.THydrogen-bonded Turntrans-75.5-8.4-17777.9-78.5000114.7S501 G502S501-H504 PolarHBondContact O-CE1 2.96Å; S501-H504 VanDerWaalsContact O-CE1 3.27Å; S501-H504 PolarHBondContact O-ND1 3.28Å; G502-H504 PolarHBondContact O-N 3.35Å; G502-H504 VanDerWaalsContact O-N 3.13Å
505V93.9Very high96Very high15 Ų1529.1 Ų29.19%0.09114%0.142CC..THydrogen-bonded Turntrans-116.3-51.7-179.7178.40000111.7W309 A313 G502 I503 P507W309-V505 HydrophobicContact CD2-CG1 3.7Å; W309-V505 HydrophobicContact CE3-CG1 3.48Å; W309-V505 VanDerWaalsContact CE3-CG1 3.48Å; W309-V505 HydrophobicContact CG-CG1 4.42Å; W309-V505 HydrophobicContact CH2-CG1 3.98Å; W309-V505 HydrophobicContact CZ2-CG1 4.16Å; W309-V505 HydrophobicContact CZ3-CG1 3.63Å; A313-V505 WeakPolarHBondContact CA-O 3.27Å; A313-V505 HydrophobicContact CB-CG1 4.24Å; A313-V505 WeakPolarHBondContact CB-O 3.47Å; G502-V505 PolarHBondContact O-N 3.48Å; I503-V505 VanDerWaalsContact C-N 3.25Å; I503-V505 PolarHBondContact O-N 3.38Å; V505-P507 WeakPolarHBondContact O-CD 3.37Å
506N94.3Very high96.1Very high3 Ų328.5 Ų28.52%0.01614%0.14CC..SBendtrans-124.170.7176.5-170.9-7000110.5D308 S310 A313 G502 A508 K509 A510D308-N506 PolarHBondContact OD2-ND2 3.3Å; S310-N506 PolarHBondContact O-ND2 2.91Å; A313-N506 HydrophobicContact CB-CB 4.13Å; G502-N506 PolarHBondContact O-N 2.7Å; N506-A508 VanDerWaalsContact C-N 3.34Å; N506-A508 PolarHBondContact O-N 2.98Å; N506-K509 WeakPolarHBondContact ND2-CB 3.15Å; N506-K509 WeakPolarHBondContact ND2-CD 3.24Å; N506-K509 PolarHBondContact O-N 3.46Å; N506-K509 WeakPolarHBondContact OD1-CB 3.46Å; N506-K509 PolarHBondContact OD1-N 2.89Å; N506-A510 WeakPolarHBondContact O-CB 3.22Å; N506-A510 PolarHBondContact O-N 3.01Å
507P95.3Very high96Very high24 Ų2427.9 Ų27.916%0.15614%0.138CC..Hα-helixtrans-59.3-41.4-171.619.6-31.3000113.1I503 V505 K509 W511 Y537I503-P507 VanDerWaalsContact O-CA 3.26Å; I503-P507 WeakPolarHBondContact O-CA 3.38Å; I503-P507 WeakPolarHBondContact O-CB 3.26Å; I503-P507 WeakPolarHBondContact O-CD 3.22Å; V505-P507 WeakPolarHBondContact O-CD 3.37Å; P507-K509 PolarHBondContact O-N 3.4Å; P507-W511 VanDerWaalsContact O-CB 3.27Å; P507-W511 WeakPolarHBondContact O-CB 3.3Å; P507-W511 PolarHBondContact O-N 2.95Å; P507-Y537 HydrophobicContact CB-CD1 3.79Å; P507-Y537 HydrophobicContact CB-CD2 3.61Å; P507-Y537 HydrophobicContact CB-CE1 3.85Å; P507-Y537 HydrophobicContact CB-CE2 3.69Å; P507-Y537 HydrophobicContact CB-CG 3.66Å; P507-Y537 HydrophobicContact CG-CD1 3.49Å; P507-Y537 VanDerWaalsContact CG-CD1 3.49Å; P507-Y537 HydrophobicContact CG-CD2 4.25Å; P507-Y537 HydrophobicContact CG-CE1 3.71Å; P507-Y537 HydrophobicContact CG-CE2 4.44Å; P507-Y537 HydrophobicContact CG-CG 3.78Å
508A93.9Very high96Very high6 Ų625.1 Ų25.15%0.0512%0.123CC..Hα-helixtrans-60.9-48.2-177.300000112.2N506 G512 A534 R538 M541N506-A508 VanDerWaalsContact C-N 3.34Å; N506-A508 PolarHBondContact O-N 2.98Å; A508-G512 PolarHBondContact O-N 3.07Å; A508-A534 WeakPolarHBondContact O-CB 3.41Å; A508-R538 HydrophobicContact CB-CB 3.82Å; A508-M541 HydrophobicContact CB-CE 3.93Å; A508-M541 HydrophobicContact CB-SD 3.95Å
509K94.4Very high96Very high41 Ų4127 Ų2718%0.17813%0.131CC..Hα-helixtrans-74.3-40.2179.6-162.5179-168.8170.10112Y25 D308 S310 M311 N506 P507 G512 N513Y25-K509 VanDerWaalsContact OH-CE 3.29Å; Y25-K509 WeakPolarHBondContact OH-CE 3.38Å; Y25-K509 PolarHBondContact OH-NZ 2.75Å; D308-K509 HydrophobicContact CB-CD 4.39Å; D308-K509 IonicContact OD1-NZ 3.67Å; D308-K509 PolarHBondContact OD1-NZ 2.86Å; D308-K509 VanDerWaalsContact OD2-CD 3.3Å; D308-K509 WeakPolarHBondContact OD2-CD 3.42Å; D308-K509 IonicContact OD2-NZ 3.69Å; D308-K509 PolarHBondContact OD2-NZ 3.46Å; S310-K509 PolarHBondContact OG-NZ 3.04Å; M311-K509 HydrophobicContact CG-CB 4.41Å; N506-K509 WeakPolarHBondContact ND2-CB 3.15Å; N506-K509 WeakPolarHBondContact ND2-CD 3.24Å; N506-K509 PolarHBondContact O-N 3.46Å; N506-K509 WeakPolarHBondContact OD1-CB 3.46Å; N506-K509 PolarHBondContact OD1-N 2.89Å; P507-K509 PolarHBondContact O-N 3.4Å; K509-G512 PolarHBondContact O-N 3.44Å; K509-N513 WeakPolarHBondContact O-CB 3.46Å; K509-N513 PolarHBondContact O-N 3.08Å
510A96.5Very high95.7Very high0 Ų033.1 Ų33.10%017%0.165CC..Hα-helixtrans-62.8-50.3178.700000112.3F307 Y499 I503 N506 G512 N513 L514F307-A510 HydrophobicContact CE1-CB 4.09Å; F307-A510 HydrophobicContact CZ-CB 4.26Å; Y499-A510 WeakPolarHBondContact O-CB 3.26Å; I503-A510 HydrophobicContact CG1-CB 3.92Å; N506-A510 WeakPolarHBondContact O-CB 3.22Å; N506-A510 PolarHBondContact O-N 3.01Å; A510-G512 VanDerWaalsContact C-N 3.33Å; A510-G512 PolarHBondContact O-N 3.18Å; A510-N513 PolarHBondContact O-N 3.25Å; A510-L514 WeakPolarHBondContact O-CB 3.33Å; A510-L514 PolarHBondContact O-N 3.24Å
511W97.8Very high95.6Very high56 Ų5632.9 Ų32.921%0.21217%0.166CC..Hα-helixtrans-62.8-39.2176-81.4119.8000112.3I503 P507 L514 G515 A530 N533 A534 Y537I503-W511 HydrophobicContact CD1-CD2 4.08Å; I503-W511 HydrophobicContact CD1-CE3 4.32Å; I503-W511 HydrophobicContact CD1-CH2 3.99Å; I503-W511 HydrophobicContact CD1-CZ2 3.74Å; I503-W511 HydrophobicContact CD1-CZ3 4.27Å; I503-W511 HydrophobicContact CG1-CD2 4.35Å; I503-W511 HydrophobicContact CG2-CZ2 4.28Å; P507-W511 VanDerWaalsContact O-CB 3.27Å; P507-W511 WeakPolarHBondContact O-CB 3.3Å; P507-W511 PolarHBondContact O-N 2.95Å; W511-L514 HydrophobicContact CE3-CD2 3.87Å; W511-L514 HydrophobicContact CZ3-CD2 3.79Å; W511-L514 PolarHBondContact O-N 2.82Å; W511-G515 PolarHBondContact O-N 3.07Å; W511-A530 HydrophobicContact CE3-CB 3.87Å; W511-A530 HydrophobicContact CZ3-CB 4.34Å; W511-N533 HydrophobicContact CB-CB 4.24Å; W511-N533 HydrophobicContact CD2-CB 3.64Å; W511-N533 HydrophobicContact CE3-CB 4.12Å; W511-N533 HydrophobicContact CG-CB 3.69Å; W511-N533 WeakPolarHBondContact CH2-ND2 3.3Å; W511-N533 VanDerWaalsContact CZ2-ND2 3.34Å; W511-N533 WeakPolarHBondContact CZ2-ND2 3.29Å; W511-A534 HydrophobicContact CB-CB 3.74Å; W511-Y537 AromaticContact CD1-CE2 3.98Å; W511-Y537 AromaticContact NE1-CE2 3.9Å
512G96.9Very high95.5Very high1 Ų134.3 Ų34.31%0.0118%0.183CC..Hα-helixtrans-63.7-47.3178.500000113.1A508 K509 A510 G515 N516 M544A508-G512 PolarHBondContact O-N 3.07Å; K509-G512 PolarHBondContact O-N 3.44Å; A510-G512 VanDerWaalsContact C-N 3.33Å; A510-G512 PolarHBondContact O-N 3.18Å; G512-G515 PolarHBondContact O-N 2.66Å; G512-N516 PolarHBondContact O-N 3.07Å; G512-M544 WeakPolarHBondContact CA-SD 3.42Å
513N96.8Very high95.6Very high33 Ų3337.8 Ų37.818%0.17620%0.198CC..Hα-helixtrans-66.6-39175.9-69.9-8.7000112.1Y499 K509 A510 G515 N516 V517Y499-N513 HydrophobicContact CD1-CB 3.78Å; Y499-N513 HydrophobicContact CD2-CB 3.64Å; Y499-N513 HydrophobicContact CE1-CB 3.72Å; Y499-N513 WeakPolarHBondContact CE1-ND2 3.38Å; Y499-N513 HydrophobicContact CE2-CB 3.59Å; Y499-N513 HydrophobicContact CG-CB 3.77Å; K509-N513 WeakPolarHBondContact O-CB 3.46Å; K509-N513 PolarHBondContact O-N 3.08Å; A510-N513 PolarHBondContact O-N 3.25Å; N513-G515 VanDerWaalsContact C-N 3.3Å; N513-G515 PolarHBondContact O-N 2.87Å; N513-N516 WeakPolarHBondContact O-CB 3.19Å; N513-N516 PolarHBondContact O-N 3.25Å; N513-V517 PolarHBondContact O-N 3.36Å; N513-V517 VanDerWaalsContact O-N 3.11Å
514L97.8Very high95.5Very high4 Ų439.7 Ų39.72%0.02121%0.207CC..Hα-helixtrans-61-39173.9-179.658000111.6E496 K500 I503 A510 W511 N516 V517 L518E496-L514 HydrophobicContact CG-CD1 3.75Å; K500-L514 HydrophobicContact CG-CD1 4.38Å; K500-L514 HydrophobicContact CG-CD2 3.89Å; I503-L514 HydrophobicContact CD1-CD2 4.23Å; A510-L514 WeakPolarHBondContact O-CB 3.33Å; A510-L514 PolarHBondContact O-N 3.24Å; W511-L514 HydrophobicContact CE3-CD2 3.87Å; W511-L514 HydrophobicContact CZ3-CD2 3.79Å; W511-L514 PolarHBondContact O-N 2.82Å; L514-N516 VanDerWaalsContact C-N 3.35Å; L514-N516 PolarHBondContact O-N 3.46Å; L514-V517 PolarHBondContact O-N 2.88Å; L514-L518 HydrophobicContact CD1-CD1 4.03Å; L514-L518 HydrophobicContact CD1-CG 4.09Å; L514-L518 HydrophobicContact CG-CD1 3.78Å; L514-L518 HydrophobicContact CG-CG 4.33Å; L514-L518 WeakPolarHBondContact O-CB 3.45Å; L514-L518 VanDerWaalsContact O-CG 3.23Å; L514-L518 WeakPolarHBondContact O-CG 3.36Å; L514-L518 PolarHBondContact O-N 3.29Å
515G97.4Very high95.6Very high0 Ų042.1 Ų42.10%022%0.219CC..Hα-helixtrans-59.8-41.1173.200000113.2W511 G512 N513 L518 K519 A527 Y531W511-G515 PolarHBondContact O-N 3.07Å; G512-G515 PolarHBondContact O-N 2.66Å; N513-G515 VanDerWaalsContact C-N 3.3Å; N513-G515 PolarHBondContact O-N 2.87Å; G515-L518 PolarHBondContact O-N 3.03Å; G515-K519 WeakPolarHBondContact O-CB 3.22Å; G515-K519 PolarHBondContact O-N 3.23Å; G515-A527 WeakPolarHBondContact O-CB 3.43Å; G515-Y531 VanDerWaalsContact C-CZ 3.49Å; G515-Y531 PolarHBondContact O-OH 3.09Å
516N96.1Very high95.8Very high42 Ų4246 Ų4623%0.22524%0.236CC..Hα-helixtrans-62.4-44.4174.6-60.2-32.2000111.6G512 N513 L514 K519 N520 Y531 N547G512-N516 PolarHBondContact O-N 3.07Å; N513-N516 WeakPolarHBondContact O-CB 3.19Å; N513-N516 PolarHBondContact O-N 3.25Å; L514-N516 VanDerWaalsContact C-N 3.35Å; L514-N516 PolarHBondContact O-N 3.46Å; N516-K519 PolarHBondContact O-N 3.43Å; N516-N520 VanDerWaalsContact O-CG 3.23Å; N516-N520 PolarHBondContact O-N 2.86Å; N516-N520 PolarHBondContact O-ND2 3.33Å; N516-Y531 WeakPolarHBondContact CA-OH 3.36Å; N516-Y531 PolarHBondContact N-OH 2.95Å; N516-Y531 WeakPolarHBondContact OD1-CE1 3.42Å; N516-Y531 PolarHBondContact OD1-OH 2.93Å; N516-Y531 VanDerWaalsContact OD1-OH 3.08Å; N516-N547 PolarHBondContact OD1-ND2 2.7Å
517V95.8Very high95.9Very high16 Ų1645.9 Ų45.910%0.09724%0.235CC..Hα-helixtrans-63-47.1177.7174.40000111.1E495 E496 Y499 N513 L514 K519 N520 Q521E495-V517 HydrophobicContact CB-CG2 3.84Å; E496-V517 HydrophobicContact CB-CG1 4.17Å; Y499-V517 HydrophobicContact CD2-CG2 3.91Å; Y499-V517 HydrophobicContact CE2-CG2 3.67Å; N513-V517 PolarHBondContact O-N 3.36Å; N513-V517 VanDerWaalsContact O-N 3.11Å; L514-V517 PolarHBondContact O-N 2.88Å; V517-K519 VanDerWaalsContact C-N 3.35Å; V517-K519 PolarHBondContact O-N 3.38Å; V517-N520 PolarHBondContact O-N 3.04Å; V517-Q521 WeakPolarHBondContact O-CG 3.2Å; V517-Q521 PolarHBondContact O-N 2.89Å
518L97.1Very high96Very high5 Ų546.1 Ų46.13%0.02623%0.234CC..Hα-helixtrans-63.8-38.8179.3-68.7165.6000111.9L514 G515 Q521 G522 K523 E526 A527 A530L514-L518 HydrophobicContact CD1-CD1 4.03Å; L514-L518 HydrophobicContact CD1-CG 4.09Å; L514-L518 HydrophobicContact CG-CD1 3.78Å; L514-L518 HydrophobicContact CG-CG 4.33Å; L514-L518 WeakPolarHBondContact O-CB 3.45Å; L514-L518 VanDerWaalsContact O-CG 3.23Å; L514-L518 WeakPolarHBondContact O-CG 3.36Å; L514-L518 PolarHBondContact O-N 3.29Å; G515-L518 PolarHBondContact O-N 3.03Å; L518-Q521 PolarHBondContact O-N 2.98Å; L518-G522 PolarHBondContact O-N 2.73Å; L518-K523 HydrophobicContact CB-CB 4.39Å; L518-K523 HydrophobicContact CD2-CB 4.38Å; L518-K523 HydrophobicContact CD2-CD 3.63Å; L518-K523 PolarHBondContact O-N 2.9Å; L518-E526 HydrophobicContact CD1-CB 3.88Å; L518-E526 HydrophobicContact CD2-CB 4.19Å; L518-E526 HydrophobicContact CG-CB 4.43Å; L518-A527 HydrophobicContact CB-CB 3.87Å; L518-A530 HydrophobicContact CD1-CB 4.07Å
519K95.6Very high96.2Very high38 Ų3852.5 Ų52.517%0.16526%0.261CS..Hα-helixtrans-60.8-47173-174.3-177.4177.5175.70111G515 N516 V517 Q521 G522 M524 A527 E554G515-K519 WeakPolarHBondContact O-CB 3.22Å; G515-K519 PolarHBondContact O-N 3.23Å; N516-K519 PolarHBondContact O-N 3.43Å; V517-K519 VanDerWaalsContact C-N 3.35Å; V517-K519 PolarHBondContact O-N 3.38Å; K519-Q521 PolarHBondContact O-N 3.46Å; K519-G522 PolarHBondContact O-N 2.97Å; K519-M524 HydrophobicContact CG-SD 4.02Å; K519-A527 HydrophobicContact CB-CB 4.04Å; K519-E554 WeakPolarHBondContact CE-OE2 3.31Å; K519-E554 IonicContact NZ-OE1 3.21Å; K519-E554 PolarHBondContact NZ-OE1 3.06Å; K519-E554 IonicContact NZ-OE2 2.66Å; K519-E554 PolarHBondContact NZ-OE2 3.18Å
520N92.9Very high96.4Very high141 Ų14150.6 Ų50.675%0.75425%0.253SS*.Hα-helixtrans-65-23.7178.9-68.2-12.9000113N516 V517 G522N516-N520 VanDerWaalsContact O-CG 3.23Å; N516-N520 PolarHBondContact O-N 2.86Å; N516-N520 PolarHBondContact O-ND2 3.33Å; V517-N520 PolarHBondContact O-N 3.04Å; N520-G522 VanDerWaalsContact C-N 3.32Å
521Q94.8Very high96.5Very high89 Ų8950.7 Ų50.742%0.41625%0.253SS..THydrogen-bonded Turntrans-82.8-1.8170.6-67.4176.89.800113.8E496 V517 L518 K519 K523E496-Q521 PolarHBondContact OE2-NE2 3.33Å; E496-Q521 PolarHBondContact OE2-OE1 3.23Å; V517-Q521 WeakPolarHBondContact O-CG 3.2Å; V517-Q521 PolarHBondContact O-N 2.89Å; L518-Q521 PolarHBondContact O-N 2.98Å; K519-Q521 PolarHBondContact O-N 3.46Å; Q521-K523 VanDerWaalsContact C-N 3.31Å; Q521-K523 HydrophobicContact CB-CD 4.36Å; Q521-K523 HydrophobicContact CB-CG 4.34Å; Q521-K523 PolarHBondContact O-N 2.92Å
522G94.2Very high96.5Very high49 Ų4951.6 Ų51.651%0.50526%0.257SS..THydrogen-bonded Turntrans78.25.5-175.700000115.2L518 K519 N520 M524L518-G522 PolarHBondContact O-N 2.73Å; K519-G522 PolarHBondContact O-N 2.97Å; N520-G522 VanDerWaalsContact C-N 3.32Å; G522-M524 VanDerWaalsContact C-N 3.29Å; G522-M524 PolarHBondContact O-N 3.46Å
523K96.1Very high96.5Very high73 Ų7353.7 Ų53.732%0.31727%0.268SS..  trans-83.168-179.4-64.6172.1177167.80111.1E496 L518 Q521 E525 E526 A527E496-K523 IonicContact OE2-NZ 2.58Å; L518-K523 HydrophobicContact CB-CB 4.39Å; L518-K523 HydrophobicContact CD2-CB 4.38Å; L518-K523 HydrophobicContact CD2-CD 3.63Å; L518-K523 PolarHBondContact O-N 2.9Å; Q521-K523 VanDerWaalsContact C-N 3.31Å; Q521-K523 HydrophobicContact CB-CD 4.36Å; Q521-K523 HydrophobicContact CB-CG 4.34Å; Q521-K523 PolarHBondContact O-N 2.92Å; K523-E525 PolarHBondContact O-N 3.43Å; K523-E526 HydrophobicContact CB-CB 4.22Å; K523-E526 HydrophobicContact CB-CG 4.48Å; K523-E526 PolarHBondContact O-N 3.23Å; K523-A527 WeakPolarHBondContact O-CB 3.46Å; K523-A527 PolarHBondContact O-N 2.99Å
524M94.9Very high96.6Very high75 Ų7552.1 Ų52.137%0.36926%0.259SS..Hα-helixtrans-59.6-41.9-169-58.6-51.4-171.100113.9K519 G522 A527 E528 L551K519-M524 HydrophobicContact CG-SD 4.02Å; G522-M524 VanDerWaalsContact C-N 3.29Å; G522-M524 PolarHBondContact O-N 3.46Å; M524-A527 PolarHBondContact O-N 3.31Å; M524-E528 PolarHBondContact O-N 3.17Å; M524-L551 HydrophobicContact SD-CD1 4.33Å
525E95.6Very high96.5Very high173 Ų17352.9 Ų52.981%0.80826%0.263SS*.Hα-helixtrans-64.7-43.1178.3-63.6-175.3178.400112.8K523 A527 E528 K529K523-E525 PolarHBondContact O-N 3.43Å; E525-A527 VanDerWaalsContact C-N 3.32Å; E525-E528 PolarHBondContact O-N 3.45Å; E525-K529 WeakPolarHBondContact O-CB 3.24Å; E525-K529 PolarHBondContact O-N 2.8Å
526E97.1Very high96.5Very high97 Ų9760.2 Ų60.245%0.45330%0.297SS..Hα-helixtrans-66.7-37.3176.7-63.1-174.6-134.900111L518 K523 K529 A530L518-E526 HydrophobicContact CD1-CB 3.88Å; L518-E526 HydrophobicContact CD2-CB 4.19Å; L518-E526 HydrophobicContact CG-CB 4.43Å; K523-E526 HydrophobicContact CB-CB 4.22Å; K523-E526 HydrophobicContact CB-CG 4.48Å; K523-E526 PolarHBondContact O-N 3.23Å; E526-K529 PolarHBondContact O-N 2.84Å; E526-A530 VanDerWaalsContact O-CB 3.32Å; E526-A530 WeakPolarHBondContact O-CB 3.37Å; E526-A530 PolarHBondContact O-N 2.68Å
527A97.9Very high96.3Very high0 Ų064.5 Ų64.50%031%0.311CS..Hα-helixtrans-65.3-45175.200000112.2G515 L518 K519 K523 M524 E525 K529 A530 Y531 L551G515-A527 WeakPolarHBondContact O-CB 3.43Å; L518-A527 HydrophobicContact CB-CB 3.87Å; K519-A527 HydrophobicContact CB-CB 4.04Å; K523-A527 WeakPolarHBondContact O-CB 3.46Å; K523-A527 PolarHBondContact O-N 2.99Å; M524-A527 PolarHBondContact O-N 3.31Å; E525-A527 VanDerWaalsContact C-N 3.32Å; A527-K529 VanDerWaalsContact C-N 3.34Å; A527-K529 PolarHBondContact O-N 3.35Å; A527-A530 PolarHBondContact O-N 3.22Å; A527-Y531 HydrophobicContact CB-CE2 4.31Å; A527-Y531 WeakPolarHBondContact O-CD2 3.45Å; A527-Y531 PolarHBondContact O-N 2.88Å; A527-L551 HydrophobicContact CB-CD1 3.72Å
528E97.5Very high96.2Very high30 Ų3065.8 Ų65.814%0.1431%0.314CS..Hα-helixtrans-56.7-48.7173.1-178.1171.4170.600110.7M524 E525 A530 Y531 R532 L548 L551 R557M524-E528 PolarHBondContact O-N 3.17Å; E525-E528 PolarHBondContact O-N 3.45Å; E528-A530 VanDerWaalsContact C-N 3.32Å; E528-A530 PolarHBondContact O-N 2.63Å; E528-Y531 PolarHBondContact O-N 2.85Å; E528-R532 HydrophobicContact CG-CG 4.41Å; E528-R532 WeakPolarHBondContact O-CB 3.09Å; E528-R532 WeakPolarHBondContact O-CG 3.32Å; E528-R532 PolarHBondContact O-N 3.12Å; E528-R532 IonicContact OE1-CZ 2.76Å; E528-R532 IonicContact OE1-NE 2.81Å; E528-R532 PolarHBondContact OE1-NE 2.92Å; E528-R532 IonicContact OE1-NH2 3.17Å; E528-R532 PolarHBondContact OE1-NH2 3Å; E528-L548 HydrophobicContact CG-CD1 3.83Å; E528-L551 HydrophobicContact CB-CD2 3.89Å; E528-L551 HydrophobicContact CG-CD2 4.48Å; E528-R557 IonicContact OE1-CZ 3.95Å; E528-R557 IonicContact OE1-NH1 3.05Å; E528-R557 PolarHBondContact OE1-NH1 3.19Å; E528-R557 IonicContact OE1-NH2 3.42Å; E528-R557 PolarHBondContact OE1-NH2 3.29Å; E528-R557 IonicContact OE2-CZ 3.24Å; E528-R557 IonicContact OE2-NH1 3.37Å; E528-R557 PolarHBondContact OE2-NH1 2.89Å; E528-R557 IonicContact OE2-NH2 3.84Å
529K98Very high96Very high140 Ų14068 Ų6861%0.60934%0.338SS*.Hα-helixtrans-60.5-40.8177.5-172.9176.5-176.7175.90112.1E525 E526 A527 R532 N533E525-K529 WeakPolarHBondContact O-CB 3.24Å; E525-K529 PolarHBondContact O-N 2.8Å; E526-K529 PolarHBondContact O-N 2.84Å; A527-K529 VanDerWaalsContact C-N 3.34Å; A527-K529 PolarHBondContact O-N 3.35Å; K529-R532 PolarHBondContact O-N 3.45Å; K529-N533 WeakPolarHBondContact O-CB 3.21Å; K529-N533 PolarHBondContact O-N 2.95Å
530A98.1Very high95.8Very high0 Ų070.7 Ų70.70%035%0.354CS..Hα-helixtrans-64.9-46176.600000112W511 L518 E526 A527 E528 R532 N533 A534W511-A530 HydrophobicContact CE3-CB 3.87Å; W511-A530 HydrophobicContact CZ3-CB 4.34Å; L518-A530 HydrophobicContact CD1-CB 4.07Å; E526-A530 VanDerWaalsContact O-CB 3.32Å; E526-A530 WeakPolarHBondContact O-CB 3.37Å; E526-A530 PolarHBondContact O-N 2.68Å; A527-A530 PolarHBondContact O-N 3.22Å; E528-A530 VanDerWaalsContact C-N 3.32Å; E528-A530 PolarHBondContact O-N 2.63Å; A530-R532 PolarHBondContact O-N 2.85Å; A530-N533 PolarHBondContact O-N 3.23Å; A530-A534 WeakPolarHBondContact O-CB 3.28Å; A530-A534 PolarHBondContact O-N 3.44Å
531Y98.3Very high95.9Very high2 Ų265 Ų651%0.00832%0.323CS..Hα-helixtrans-63.1-42.4174.6-62.2-49.1000112.3G515 N516 A527 E528 N533 A534 L535 M544 N547 L548 L551G515-Y531 VanDerWaalsContact C-CZ 3.49Å; G515-Y531 PolarHBondContact O-OH 3.09Å; N516-Y531 WeakPolarHBondContact CA-OH 3.36Å; N516-Y531 PolarHBondContact N-OH 2.95Å; N516-Y531 WeakPolarHBondContact OD1-CE1 3.42Å; N516-Y531 PolarHBondContact OD1-OH 2.93Å; N516-Y531 VanDerWaalsContact OD1-OH 3.08Å; A527-Y531 HydrophobicContact CB-CE2 4.31Å; A527-Y531 WeakPolarHBondContact O-CD2 3.45Å; A527-Y531 PolarHBondContact O-N 2.88Å; E528-Y531 PolarHBondContact O-N 2.85Å; Y531-N533 VanDerWaalsContact C-N 3.35Å; Y531-N533 PolarHBondContact O-N 3.27Å; Y531-A534 WeakPolarHBondContact O-CB 3.32Å; Y531-A534 PolarHBondContact O-N 3.31Å; Y531-L535 VanDerWaalsContact O-CG 3.3Å; Y531-L535 WeakPolarHBondContact O-CG 3.38Å; Y531-L535 PolarHBondContact O-N 3.06Å; Y531-M544 HydrophobicContact CD1-SD 3.78Å; Y531-M544 HydrophobicContact CE1-SD 3.98Å; Y531-N547 HydrophobicContact CE1-CB 3.93Å; Y531-N547 HydrophobicContact CE2-CB 4.31Å; Y531-L548 HydrophobicContact CD2-CB 4.38Å; Y531-L548 HydrophobicContact CG-CB 4.44Å; Y531-L551 HydrophobicContact CD2-CD1 4.4Å; Y531-L551 HydrophobicContact CE2-CD1 4.02Å
532R97.9Very high95.8Very high76 Ų7661.1 Ų61.129%0.28731%0.307SS..Hα-helixtrans-62.3-40.4175.6-71.5-178.1-175.7-87.42.1111.7E528 K529 A530 L535 H536 L548 E560 Y564E528-R532 HydrophobicContact CG-CG 4.41Å; E528-R532 WeakPolarHBondContact O-CB 3.09Å; E528-R532 WeakPolarHBondContact O-CG 3.32Å; E528-R532 PolarHBondContact O-N 3.12Å; E528-R532 IonicContact OE1-CZ 2.76Å; E528-R532 IonicContact OE1-NE 2.81Å; E528-R532 PolarHBondContact OE1-NE 2.92Å; E528-R532 IonicContact OE1-NH2 3.17Å; E528-R532 PolarHBondContact OE1-NH2 3Å; K529-R532 PolarHBondContact O-N 3.45Å; A530-R532 PolarHBondContact O-N 2.85Å; R532-L535 PolarHBondContact O-N 3.38Å; R532-H536 WeakPolarHBondContact O-CB 3.49Å; R532-H536 PolarHBondContact O-N 3.44Å; R532-L548 HydrophobicContact CG-CD2 3.97Å; R532-E560 IonicContact NH2-OE2 2.71Å; R532-E560 PolarHBondContact NH2-OE2 3.21Å; R532-Y564 PolarHBondContact NH1-OH 2.8Å
533N97.8Very high95.7Very high45 Ų4562.1 Ų62.124%0.24130%0.3CS..Hα-helixtrans-62.4-45.7172.1-75-13.7000111.8W511 K529 A530 Y531 L535 H536 Y537W511-N533 HydrophobicContact CB-CB 4.24Å; W511-N533 HydrophobicContact CD2-CB 3.64Å; W511-N533 HydrophobicContact CE3-CB 4.12Å; W511-N533 HydrophobicContact CG-CB 3.69Å; W511-N533 WeakPolarHBondContact CH2-ND2 3.3Å; W511-N533 VanDerWaalsContact CZ2-ND2 3.34Å; W511-N533 WeakPolarHBondContact CZ2-ND2 3.29Å; K529-N533 WeakPolarHBondContact O-CB 3.21Å; K529-N533 PolarHBondContact O-N 2.95Å; A530-N533 PolarHBondContact O-N 3.23Å; Y531-N533 VanDerWaalsContact C-N 3.35Å; Y531-N533 PolarHBondContact O-N 3.27Å; N533-L535 VanDerWaalsContact C-N 3.29Å; N533-L535 PolarHBondContact O-N 2.76Å; N533-H536 WeakPolarHBondContact O-CB 3.46Å; N533-H536 PolarHBondContact O-N 3.33Å; N533-H536 VanDerWaalsContact O-N 3.16Å; N533-Y537 VanDerWaalsContact O-CD2 3.3Å; N533-Y537 WeakPolarHBondContact O-CD2 3.41Å; N533-Y537 PolarHBondContact O-N 3.19Å
534A97Very high95.7Very high0 Ų059.4 Ų59.40%029%0.289CS..Hα-helixtrans-55.1-47.6177.300000111A508 W511 A530 Y531 Y537 R538 M541 M544A508-A534 WeakPolarHBondContact O-CB 3.41Å; W511-A534 HydrophobicContact CB-CB 3.74Å; A530-A534 WeakPolarHBondContact O-CB 3.28Å; A530-A534 PolarHBondContact O-N 3.44Å; Y531-A534 WeakPolarHBondContact O-CB 3.32Å; Y531-A534 PolarHBondContact O-N 3.31Å; A534-Y537 PolarHBondContact O-N 3.33Å; A534-R538 PolarHBondContact O-N 3.16Å; A534-M541 HydrophobicContact CB-CE 3.67Å; A534-M541 WeakPolarHBondContact O-CE 3.49Å; A534-M544 HydrophobicContact CB-CG 4.5Å
535L96.5Very high95.8Very high19 Ų1956.1 Ų56.110%0.09927%0.273CS..Hα-helixtrans-71.1-28.1179.1-65.6169.6000113.6Y531 R532 N533 R538 G539 M541 M544 L545 L548 Y564Y531-L535 VanDerWaalsContact O-CG 3.3Å; Y531-L535 WeakPolarHBondContact O-CG 3.38Å; Y531-L535 PolarHBondContact O-N 3.06Å; R532-L535 PolarHBondContact O-N 3.38Å; N533-L535 VanDerWaalsContact C-N 3.29Å; N533-L535 PolarHBondContact O-N 2.76Å; L535-R538 CarbonylContact O-C 3.22Å; L535-R538 PolarHBondContact O-N 3.01Å; L535-G539 WeakPolarHBondContact O-CA 3.35Å; L535-G539 PolarHBondContact O-N 3.13Å; L535-M541 HydrophobicContact CD2-CB 4.2Å; L535-M541 HydrophobicContact CD2-CE 4.5Å; L535-M544 HydrophobicContact CD2-CB 3.94Å; L535-M544 HydrophobicContact CG-CB 4.24Å; L535-L545 HydrophobicContact CD1-CD2 3.76Å; L535-L545 HydrophobicContact CD1-CG 4.38Å; L535-L545 HydrophobicContact CD2-CD2 3.68Å; L535-L545 HydrophobicContact CD2-CG 3.68Å; L535-L545 HydrophobicContact CG-CD2 4.35Å; L535-L548 HydrophobicContact CD1-CD2 3.74Å; L535-Y564 HydrophobicContact CD1-CE1 4.24Å
536H96.4Very high95.9Very high154 Ų15449.6 Ų49.671%0.71324%0.241SC*.Hα-helixtrans-62.6-42.6170.9176.176.5000111.7R532 N533R532-H536 WeakPolarHBondContact O-CB 3.49Å; R532-H536 PolarHBondContact O-N 3.44Å; N533-H536 WeakPolarHBondContact O-CB 3.46Å; N533-H536 PolarHBondContact O-N 3.33Å; N533-H536 VanDerWaalsContact O-N 3.16Å
537Y93.2Very high95.9Very high132 Ų13246.6 Ų46.652%0.51823%0.228SC..Hα-helixtrans-73.2-32.2174.1-75.1-80.1000112.9P507 W511 N533 A534P507-Y537 HydrophobicContact CB-CD1 3.79Å; P507-Y537 HydrophobicContact CB-CD2 3.61Å; P507-Y537 HydrophobicContact CB-CE1 3.85Å; P507-Y537 HydrophobicContact CB-CE2 3.69Å; P507-Y537 HydrophobicContact CB-CG 3.66Å; P507-Y537 HydrophobicContact CG-CD1 3.49Å; P507-Y537 VanDerWaalsContact CG-CD1 3.49Å; P507-Y537 HydrophobicContact CG-CD2 4.25Å; P507-Y537 HydrophobicContact CG-CE1 3.71Å; P507-Y537 HydrophobicContact CG-CE2 4.44Å; P507-Y537 HydrophobicContact CG-CG 3.78Å; W511-Y537 AromaticContact CD1-CE2 3.98Å; W511-Y537 AromaticContact NE1-CE2 3.9Å; N533-Y537 VanDerWaalsContact O-CD2 3.3Å; N533-Y537 WeakPolarHBondContact O-CD2 3.41Å; N533-Y537 PolarHBondContact O-N 3.19Å; A534-Y537 PolarHBondContact O-N 3.33Å
538R93Very high95.9Very high44 Ų4446.6 Ų46.617%0.16623%0.228CC..  trans-152.595.5178-171.7169.4171.7149.6-13.3112.9D312 A508 A534 L535 N540 M541D312-R538 IonicContact OD2-CZ 2.66Å; D312-R538 IonicContact OD2-NH1 3.53Å; D312-R538 PolarHBondContact OD2-NH1 2.71Å; A508-R538 HydrophobicContact CB-CB 3.82Å; A534-R538 PolarHBondContact O-N 3.16Å; L535-R538 CarbonylContact O-C 3.22Å; L535-R538 PolarHBondContact O-N 3.01Å; R538-N540 VanDerWaalsContact C-N 3.27Å; R538-N540 VanDerWaalsContact CG-OD1 3.26Å; R538-N540 WeakPolarHBondContact CG-OD1 3.42Å; R538-N540 PolarHBondContact NE-OD1 3.36Å; R538-N540 VanDerWaalsContact NE-OD1 3.14Å; R538-N540 PolarHBondContact O-N 3Å; R538-N540 VanDerWaalsContact O-N 3.15Å; R538-M541 HydrophobicContact CB-CE 4.16Å; R538-M541 HydrophobicContact CB-CG 4.17Å; R538-M541 HydrophobicContact CB-SD 4.25Å; R538-M541 HydrophobicContact CG-CG 3.96Å
539G93.6Very high95.9Very high51 Ų5145.2 Ų45.253%0.52622%0.221SC..THydrogen-bonded Turntrans-68.4-12-172.200000116.9L535L535-G539 WeakPolarHBondContact O-CA 3.35Å; L535-G539 PolarHBondContact O-N 3.13Å
540N91.6Very high95.8Very high95 Ų9540.3 Ų40.351%0.50820%0.202SC..THydrogen-bonded Turntrans-99.819.4-176.771-5.2000114.6R538 A542R538-N540 VanDerWaalsContact C-N 3.27Å; R538-N540 VanDerWaalsContact CG-OD1 3.26Å; R538-N540 WeakPolarHBondContact CG-OD1 3.42Å; R538-N540 PolarHBondContact NE-OD1 3.36Å; R538-N540 VanDerWaalsContact NE-OD1 3.14Å; R538-N540 PolarHBondContact O-N 3Å; R538-N540 VanDerWaalsContact O-N 3.15Å; N540-A542 PolarHBondContact O-N 3.35Å; N540-A542 VanDerWaalsContact O-N 3.1Å
541M93.6Very high95.7Very high21 Ų2140.4 Ų40.410%0.10320%0.202CC..  trans-80.190178-67.9-169.6-64.100111.1M311 A508 A534 L535 R538 D543 M544 L545M311-M541 HydrophobicContact CE-CG 3.97Å; M311-M541 HydrophobicContact CE-SD 3.41Å; M311-M541 WeakPolarHBondContact CE-SD 3.41Å; A508-M541 HydrophobicContact CB-CE 3.93Å; A508-M541 HydrophobicContact CB-SD 3.95Å; A534-M541 HydrophobicContact CB-CE 3.67Å; A534-M541 WeakPolarHBondContact O-CE 3.49Å; L535-M541 HydrophobicContact CD2-CB 4.2Å; L535-M541 HydrophobicContact CD2-CE 4.5Å; R538-M541 HydrophobicContact CB-CE 4.16Å; R538-M541 HydrophobicContact CB-CG 4.17Å; R538-M541 HydrophobicContact CB-SD 4.25Å; R538-M541 HydrophobicContact CG-CG 3.96Å; M541-D543 VanDerWaalsContact C-N 3.26Å; M541-D543 PolarHBondContact O-N 2.9Å; M541-M544 HydrophobicContact CB-CB 3.98Å; M541-M544 HydrophobicContact CB-CG 4.01Å; M541-M544 HydrophobicContact CE-CB 4.39Å; M541-M544 HydrophobicContact CE-CG 3.99Å; M541-M544 PolarHBondContact O-N 3.05Å; M541-M544 HydrophobicContact SD-CG 4.33Å; M541-L545 WeakPolarHBondContact O-CG 3.38Å; M541-L545 PolarHBondContact O-N 3.21Å
542A92.9Very high95.6Very high8 Ų840.3 Ų40.37%0.06620%0.202CC..Hα-helixtrans-50.7-40.7-17800000114.1N540 M544 Y546 R572 L575N540-A542 PolarHBondContact O-N 3.35Å; N540-A542 VanDerWaalsContact O-N 3.1Å; A542-M544 VanDerWaalsContact C-N 3.34Å; A542-M544 PolarHBondContact O-N 2.73Å; A542-Y546 VanDerWaalsContact O-CB 3.29Å; A542-Y546 WeakPolarHBondContact O-CB 3.24Å; A542-Y546 PolarHBondContact O-N 2.72Å; A542-R572 HydrophobicContact CB-CB 3.48Å; A542-R572 VanDerWaalsContact CB-CB 3.48Å; A542-L575 HydrophobicContact CB-CD2 4.4Å
543D92.5Very high95.5Very high70 Ų7038.9 Ų38.937%0.37420%0.199SC..Hα-helixtrans-63.1-38.2176.7-62.7-56.2000112.2M541 N547 R572M541-D543 VanDerWaalsContact C-N 3.26Å; M541-D543 PolarHBondContact O-N 2.9Å; D543-N547 WeakPolarHBondContact O-CB 3.44Å; D543-N547 PolarHBondContact O-N 3.23Å; D543-N547 PolarHBondContact O-OD1 3.4Å; D543-R572 VanDerWaalsContact CG-NH1 3.29Å; D543-R572 IonicContact OD1-CZ 3.18Å; D543-R572 VanDerWaalsContact OD1-CZ 3.23Å; D543-R572 IonicContact OD1-NH1 2.8Å; D543-R572 PolarHBondContact OD1-NH1 3.4Å; D543-R572 IonicContact OD1-NH2 3.31Å; D543-R572 PolarHBondContact OD1-NH2 2.62Å; D543-R572 IonicContact OD2-NH1 3.04Å; D543-R572 PolarHBondContact OD2-NH1 2.65Å; D543-R572 VanDerWaalsContact OD2-NH1 3.07Å
544M96Very high95.2Very high16 Ų1641.8 Ų41.88%0.07921%0.211CC..Hα-helixtrans-79.9-34.8-179.4-62-60.697.800112.4G512 Y531 A534 L535 M541 A542 Y546 L548G512-M544 WeakPolarHBondContact CA-SD 3.42Å; Y531-M544 HydrophobicContact CD1-SD 3.78Å; Y531-M544 HydrophobicContact CE1-SD 3.98Å; A534-M544 HydrophobicContact CB-CG 4.5Å; L535-M544 HydrophobicContact CD2-CB 3.94Å; L535-M544 HydrophobicContact CG-CB 4.24Å; M541-M544 HydrophobicContact CB-CB 3.98Å; M541-M544 HydrophobicContact CB-CG 4.01Å; M541-M544 HydrophobicContact CE-CB 4.39Å; M541-M544 HydrophobicContact CE-CG 3.99Å; M541-M544 PolarHBondContact O-N 3.05Å; M541-M544 HydrophobicContact SD-CG 4.33Å; A542-M544 VanDerWaalsContact C-N 3.34Å; A542-M544 PolarHBondContact O-N 2.73Å; M544-Y546 VanDerWaalsContact C-N 3.33Å; M544-L548 VanDerWaalsContact O-CB 3.26Å; M544-L548 WeakPolarHBondContact O-CB 3.02Å; M544-L548 PolarHBondContact O-N 3.32Å
545L97.8Very high95Very high5 Ų544.4 Ų44.43%0.02623%0.229CC..Hα-helixtrans-60.7-44.5169.7-67.1165.7000110.5L535 M541 G549 Y564 L567 A568 S571L535-L545 HydrophobicContact CD1-CD2 3.76Å; L535-L545 HydrophobicContact CD1-CG 4.38Å; L535-L545 HydrophobicContact CD2-CD2 3.68Å; L535-L545 HydrophobicContact CD2-CG 3.68Å; L535-L545 HydrophobicContact CG-CD2 4.35Å; M541-L545 WeakPolarHBondContact O-CG 3.38Å; M541-L545 PolarHBondContact O-N 3.21Å; L545-G549 PolarHBondContact O-N 3.42Å; L545-Y564 HydrophobicContact CD2-CD1 3.75Å; L545-Y564 HydrophobicContact CD2-CE1 4.16Å; L545-L567 HydrophobicContact CD1-CB 4.04Å; L545-L567 HydrophobicContact CD2-CB 4Å; L545-L567 HydrophobicContact CD2-CD1 4.31Å; L545-A568 HydrophobicContact CB-CB 3.68Å; L545-S571 WeakPolarHBondContact CD1-OG 3.5Å
546Y97.1Very high94.9Very high36 Ų3650.8 Ų50.814%0.14126%0.258CS..Hα-helixtrans-66.2-46176.5176.1-105.3000112.7A542 M544 L548 G549 L550 Y565 L575 S577 A578 N581A542-Y546 VanDerWaalsContact O-CB 3.29Å; A542-Y546 WeakPolarHBondContact O-CB 3.24Å; A542-Y546 PolarHBondContact O-N 2.72Å; M544-Y546 VanDerWaalsContact C-N 3.33Å; Y546-L548 VanDerWaalsContact C-N 3.33Å; Y546-L548 PolarHBondContact O-N 2.96Å; Y546-G549 PolarHBondContact O-N 3Å; Y546-L550 HydrophobicContact CD1-CD1 4.02Å; Y546-L550 HydrophobicContact CE1-CD1 3.42Å; Y546-L550 VanDerWaalsContact CE1-CD1 3.42Å; Y546-L550 HydrophobicContact CE1-CG 4.12Å; Y546-L550 HydrophobicContact CE2-CG 4.35Å; Y546-L550 PolarHBondContact O-N 3.15Å; Y546-Y565 AromaticContact CD2-CD1 3.82Å; Y546-Y565 HydrophobicContact CD2-CD1 3.82Å; Y546-Y565 AromaticContact CD2-CE1 3.6Å; Y546-Y565 HydrophobicContact CD2-CE1 3.6Å; Y546-Y565 HydrophobicContact CE2-CD1 4.36Å; Y546-Y565 AromaticContact CE2-CE1 3.84Å; Y546-Y565 HydrophobicContact CE2-CE1 3.84Å; Y546-L575 HydrophobicContact CG-CD2 4.27Å; Y546-S577 WeakPolarHBondContact CE2-O 3.33Å; Y546-A578 HydrophobicContact CD2-CB 3.86Å; Y546-A578 HydrophobicContact CE2-CB 4.37Å; Y546-N581 WeakPolarHBondContact CE2-ND2 3.22Å; Y546-N581 PolarHBondContact OH-ND2 3.45Å
547N97Very high94.9Very high35 Ų3547.3 Ų47.319%0.18724%0.239CC..Hα-helixtrans-66.4-34179.3-72.25000112.9N516 Y531 D543 L551N516-N547 PolarHBondContact OD1-ND2 2.7Å; Y531-N547 HydrophobicContact CE1-CB 3.93Å; Y531-N547 HydrophobicContact CE2-CB 4.31Å; D543-N547 WeakPolarHBondContact O-CB 3.44Å; D543-N547 PolarHBondContact O-N 3.23Å; D543-N547 PolarHBondContact O-OD1 3.4Å; N547-L551 PolarHBondContact O-N 3.43Å; N547-L551 VanDerWaalsContact O-N 3.16Å
548L97.8Very high95Very high0 Ų044.7 Ų44.70%023%0.23CC..Hα-helixtrans-67.2-44.1170.4179.254.4000111.2E528 Y531 R532 L535 M544 Y546 L550 L551 L552 Y564E528-L548 HydrophobicContact CG-CD1 3.83Å; Y531-L548 HydrophobicContact CD2-CB 4.38Å; Y531-L548 HydrophobicContact CG-CB 4.44Å; R532-L548 HydrophobicContact CG-CD2 3.97Å; L535-L548 HydrophobicContact CD1-CD2 3.74Å; M544-L548 VanDerWaalsContact O-CB 3.26Å; M544-L548 WeakPolarHBondContact O-CB 3.02Å; M544-L548 PolarHBondContact O-N 3.32Å; Y546-L548 VanDerWaalsContact C-N 3.33Å; Y546-L548 PolarHBondContact O-N 2.96Å; L548-L550 VanDerWaalsContact C-N 3.32Å; L548-L550 PolarHBondContact O-N 3.49Å; L548-L551 PolarHBondContact O-N 2.84Å; L548-L552 HydrophobicContact CD1-CD1 3.96Å; L548-L552 HydrophobicContact CD1-CG 4.08Å; L548-L552 HydrophobicContact CG-CD1 3.87Å; L548-L552 HydrophobicContact CG-CG 4.46Å; L548-L552 WeakPolarHBondContact O-CB 3.38Å; L548-L552 WeakPolarHBondContact O-CD1 3.38Å; L548-L552 VanDerWaalsContact O-CG 3.22Å; L548-L552 WeakPolarHBondContact O-CG 3.34Å; L548-L552 PolarHBondContact O-N 3.42Å; L548-Y564 HydrophobicContact CD2-CD1 3.91Å; L548-Y564 HydrophobicContact CD2-CD2 4.2Å; L548-Y564 HydrophobicContact CD2-CE1 3.57Å; L548-Y564 HydrophobicContact CD2-CE2 3.87Å; L548-Y564 HydrophobicContact CD2-CG 4.21Å; L548-Y564 HydrophobicContact CG-CD1 4.41Å; L548-Y564 HydrophobicContact CG-CD2 4.2Å; L548-Y564 HydrophobicContact CG-CE1 4.48Å; L548-Y564 HydrophobicContact CG-CE2 4.26Å; L548-Y564 HydrophobicContact CG-CG 4.28Å
549G97.4Very high95.1Very high0 Ų047 Ų470%025%0.253CS..Hα-helixtrans-57.1-41.9173.900000113.3L545 Y546 L552 Q553 A561L545-G549 PolarHBondContact O-N 3.42Å; Y546-G549 PolarHBondContact O-N 3Å; G549-L552 PolarHBondContact O-N 2.87Å; G549-Q553 WeakPolarHBondContact O-CB 3.47Å; G549-Q553 PolarHBondContact O-N 3.26Å; G549-A561 WeakPolarHBondContact O-CB 3.45Å
550L96.4Very high95.2Very high38 Ų3847.2 Ų47.220%0.19924%0.24CC..Hα-helixtrans-59.3-49.4173.4-82.8172.4000112.4Y546 L548 L552 Q553 E554 Y565 N581Y546-L550 HydrophobicContact CD1-CD1 4.02Å; Y546-L550 HydrophobicContact CE1-CD1 3.42Å; Y546-L550 VanDerWaalsContact CE1-CD1 3.42Å; Y546-L550 HydrophobicContact CE1-CG 4.12Å; Y546-L550 HydrophobicContact CE2-CG 4.35Å; Y546-L550 PolarHBondContact O-N 3.15Å; L548-L550 VanDerWaalsContact C-N 3.32Å; L548-L550 PolarHBondContact O-N 3.49Å; L550-L552 VanDerWaalsContact C-N 3.32Å; L550-L552 PolarHBondContact O-N 3.48Å; L550-Q553 PolarHBondContact O-N 3.07Å; L550-E554 WeakPolarHBondContact O-CG 3.41Å; L550-E554 PolarHBondContact O-N 3.09Å; L550-Y565 WeakPolarHBondContact CA-OH 3.32Å; L550-Y565 PolarHBondContact N-OH 2.97Å; L550-N581 VanDerWaalsContact CD2-ND2 3.28Å; L550-N581 WeakPolarHBondContact CD2-ND2 3.29Å
551L95.9Very high95.5Very high1 Ų142.7 Ų42.71%0.00522%0.216CC..Hα-helixtrans-64.4-37.6-179.1-174.2152.9000111.8M524 A527 E528 Y531 N547 L548 E554 S555M524-L551 HydrophobicContact SD-CD1 4.33Å; A527-L551 HydrophobicContact CB-CD1 3.72Å; E528-L551 HydrophobicContact CB-CD2 3.89Å; E528-L551 HydrophobicContact CG-CD2 4.48Å; Y531-L551 HydrophobicContact CD2-CD1 4.4Å; Y531-L551 HydrophobicContact CE2-CD1 4.02Å; N547-L551 PolarHBondContact O-N 3.43Å; N547-L551 VanDerWaalsContact O-N 3.16Å; L548-L551 PolarHBondContact O-N 2.84Å; L551-E554 PolarHBondContact O-N 3.43Å; L551-S555 WeakPolarHBondContact O-CB 3.42Å; L551-S555 PolarHBondContact O-N 3.31Å; L551-S555 VanDerWaalsContact O-N 3.1Å; L551-S555 PolarHBondContact O-OG 3.47Å
552L96.5Very high95.6Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-67.9-38.3174.8-67.6166.3000112.1L548 G549 L550 S555 E556 R557 E560 A561 Y564L548-L552 HydrophobicContact CD1-CD1 3.96Å; L548-L552 HydrophobicContact CD1-CG 4.08Å; L548-L552 HydrophobicContact CG-CD1 3.87Å; L548-L552 HydrophobicContact CG-CG 4.46Å; L548-L552 WeakPolarHBondContact O-CB 3.38Å; L548-L552 WeakPolarHBondContact O-CD1 3.38Å; L548-L552 VanDerWaalsContact O-CG 3.22Å; L548-L552 WeakPolarHBondContact O-CG 3.34Å; L548-L552 PolarHBondContact O-N 3.42Å; G549-L552 PolarHBondContact O-N 2.87Å; L550-L552 VanDerWaalsContact C-N 3.32Å; L550-L552 PolarHBondContact O-N 3.48Å; L552-S555 CarbonylContact O-C 3.11Å; L552-S555 WeakPolarHBondContact O-CA 3.18Å; L552-S555 PolarHBondContact O-N 3.49Å; L552-S555 VanDerWaalsContact O-N 3.16Å; L552-E556 PolarHBondContact O-N 2.97Å; L552-R557 HydrophobicContact CB-CB 4.35Å; L552-R557 HydrophobicContact CD2-CB 4.34Å; L552-R557 VanDerWaalsContact CD2-NH2 3.3Å; L552-R557 PolarHBondContact O-N 3.2Å; L552-E560 HydrophobicContact CD1-CB 3.94Å; L552-E560 HydrophobicContact CD2-CB 4.47Å; L552-A561 HydrophobicContact CB-CB 3.98Å; L552-Y564 HydrophobicContact CD1-CD2 3.35Å; L552-Y564 HydrophobicContact CD1-CE2 3.75Å; L552-Y564 HydrophobicContact CD1-CG 4.32Å
553Q95.1Very high95.8Very high47 Ų4748.2 Ų48.222%0.2224%0.241CC..Hα-helixtrans-66.4-40.9174.3-178.7-177-25.800112G549 L550 S555 E556 F558 A561 Y565 I585G549-Q553 WeakPolarHBondContact O-CB 3.47Å; G549-Q553 PolarHBondContact O-N 3.26Å; L550-Q553 PolarHBondContact O-N 3.07Å; Q553-S555 PolarHBondContact O-N 2.94Å; Q553-E556 PolarHBondContact O-N 3.03Å; Q553-E556 VanDerWaalsContact O-N 3.12Å; Q553-F558 HydrophobicContact CG-CD1 4.16Å; Q553-F558 HydrophobicContact CG-CE1 4Å; Q553-A561 HydrophobicContact CB-CB 4.03Å; Q553-Y565 PolarHBondContact OE1-OH 2.76Å; Q553-I585 HydrophobicContact CG-CD1 4.1Å
554E92.6Very high96.1Very high106 Ų10646.6 Ų46.650%0.49523%0.23SC..Hα-helixtrans-62.4-23.2171.5-74.3162.7-162.500112.4K519 L550 L551K519-E554 WeakPolarHBondContact CE-OE2 3.31Å; K519-E554 IonicContact NZ-OE1 3.21Å; K519-E554 PolarHBondContact NZ-OE1 3.06Å; K519-E554 IonicContact NZ-OE2 2.66Å; K519-E554 PolarHBondContact NZ-OE2 3.18Å; L550-E554 WeakPolarHBondContact O-CG 3.41Å; L550-E554 PolarHBondContact O-N 3.09Å; L551-E554 PolarHBondContact O-N 3.43Å
555S92.6Very high96.2Very high54 Ų5445.9 Ų45.938%0.37823%0.226SC..THydrogen-bonded Turntrans-97.917.5175.8-48.60000113.3L551 L552 Q553 R557L551-S555 WeakPolarHBondContact O-CB 3.42Å; L551-S555 PolarHBondContact O-N 3.31Å; L551-S555 VanDerWaalsContact O-N 3.1Å; L551-S555 PolarHBondContact O-OG 3.47Å; L552-S555 CarbonylContact O-C 3.11Å; L552-S555 WeakPolarHBondContact O-CA 3.18Å; L552-S555 PolarHBondContact O-N 3.49Å; L552-S555 VanDerWaalsContact O-N 3.16Å; Q553-S555 PolarHBondContact O-N 2.94Å; S555-R557 PolarHBondContact O-N 3.14Å
556E93.6Very high96.1Very high154 Ų15450.2 Ų50.272%0.7225%0.245SC*.THydrogen-bonded Turntrans56.810.9-178.3-57.1-174.6169.200115.9L552 Q553 F558L552-E556 PolarHBondContact O-N 2.97Å; Q553-E556 PolarHBondContact O-N 3.03Å; Q553-E556 VanDerWaalsContact O-N 3.12Å; E556-F558 HydrophobicContact CB-CE2 3.94Å; E556-F558 HydrophobicContact CB-CZ 4.18Å; E556-F558 HydrophobicContact CG-CE2 4.38Å; E556-F558 HydrophobicContact CG-CZ 4.26Å; E556-F558 WeakPolarHBondContact O-CD2 3.32Å; E556-F558 PolarHBondContact O-N 3.29Å
557R96Very high96.1Very high81 Ų8152.4 Ų52.431%0.30626%0.259SS..  trans-82.156.5177.7-72.8159.664.4-163.7-0.7110.9E528 L552 S555 S559 E560 A561E528-R557 IonicContact OE1-CZ 3.95Å; E528-R557 IonicContact OE1-NH1 3.05Å; E528-R557 PolarHBondContact OE1-NH1 3.19Å; E528-R557 IonicContact OE1-NH2 3.42Å; E528-R557 PolarHBondContact OE1-NH2 3.29Å; E528-R557 IonicContact OE2-CZ 3.24Å; E528-R557 IonicContact OE2-NH1 3.37Å; E528-R557 PolarHBondContact OE2-NH1 2.89Å; E528-R557 IonicContact OE2-NH2 3.84Å; L552-R557 HydrophobicContact CB-CB 4.35Å; L552-R557 HydrophobicContact CD2-CB 4.34Å; L552-R557 VanDerWaalsContact CD2-NH2 3.3Å; L552-R557 PolarHBondContact O-N 3.2Å; S555-R557 PolarHBondContact O-N 3.14Å; R557-S559 VanDerWaalsContact C-N 3.27Å; R557-S559 PolarHBondContact O-N 2.91Å; R557-E560 IonicContact CZ-OE1 2.61Å; R557-E560 IonicContact NE-OE1 3.72Å; R557-E560 PolarHBondContact NE-OE1 2.81Å; R557-E560 VanDerWaalsContact NH2-CD 3.33Å; R557-E560 IonicContact NH2-OE1 3.76Å; R557-E560 PolarHBondContact NH2-OE1 3.11Å; R557-E560 IonicContact NH2-OE2 3.52Å; R557-E560 PolarHBondContact NH2-OE2 3.02Å; R557-E560 VanDerWaalsContact NH2-OE2 3.1Å; R557-E560 PolarHBondContact O-N 2.8Å; R557-A561 PolarHBondContact O-N 3.06Å
558F95.6Very high96.1Very high77 Ų7750.7 Ų50.734%0.33825%0.25SC..Hα-helixtrans-57.6-33-170.3-60.2-64.3000114.4Q553 E556 L562 I585Q553-F558 HydrophobicContact CG-CD1 4.16Å; Q553-F558 HydrophobicContact CG-CE1 4Å; E556-F558 HydrophobicContact CB-CE2 3.94Å; E556-F558 HydrophobicContact CB-CZ 4.18Å; E556-F558 HydrophobicContact CG-CE2 4.38Å; E556-F558 HydrophobicContact CG-CZ 4.26Å; E556-F558 WeakPolarHBondContact O-CD2 3.32Å; E556-F558 PolarHBondContact O-N 3.29Å; F558-L562 WeakPolarHBondContact O-CB 3.45Å; F558-L562 PolarHBondContact O-N 3.1Å; F558-I585 HydrophobicContact CB-CG2 4.08Å; F558-I585 HydrophobicContact CD1-CD1 4.16Å; F558-I585 HydrophobicContact CD1-CG1 4.12Å
559S95.1Very high96Very high92 Ų9251.9 Ų51.964%0.64326%0.256SS*.Hα-helixtrans-67.4-47178.450.60000112.7R557 Q563R557-S559 VanDerWaalsContact C-N 3.27Å; R557-S559 PolarHBondContact O-N 2.91Å; S559-Q563 PolarHBondContact O-N 3.24Å
560E96.3Very high95.9Very high56 Ų5654.9 Ų54.926%0.26229%0.287SS..Hα-helixtrans-65.8-41.3172.8-70.7-175.2-100.300111.1R532 L552 R557 L562 Q563 Y564R532-E560 IonicContact NH2-OE2 2.71Å; R532-E560 PolarHBondContact NH2-OE2 3.21Å; L552-E560 HydrophobicContact CD1-CB 3.94Å; L552-E560 HydrophobicContact CD2-CB 4.47Å; R557-E560 IonicContact CZ-OE1 2.61Å; R557-E560 IonicContact NE-OE1 3.72Å; R557-E560 PolarHBondContact NE-OE1 2.81Å; R557-E560 VanDerWaalsContact NH2-CD 3.33Å; R557-E560 IonicContact NH2-OE1 3.76Å; R557-E560 PolarHBondContact NH2-OE1 3.11Å; R557-E560 IonicContact NH2-OE2 3.52Å; R557-E560 PolarHBondContact NH2-OE2 3.02Å; R557-E560 VanDerWaalsContact NH2-OE2 3.1Å; R557-E560 PolarHBondContact O-N 2.8Å; E560-L562 VanDerWaalsContact C-N 3.34Å; E560-L562 PolarHBondContact O-N 3Å; E560-Q563 WeakPolarHBondContact O-CB 3.44Å; E560-Q563 PolarHBondContact O-N 3.37Å; E560-Q563 VanDerWaalsContact O-N 3.15Å; E560-Y564 VanDerWaalsContact O-CD2 3.29Å; E560-Y564 WeakPolarHBondContact O-CD2 3.36Å; E560-Y564 PolarHBondContact O-N 2.97Å
561A97.8Very high95.7Very high0 Ų055.4 Ų55.40%029%0.293CS..Hα-helixtrans-57.2-46.5177.100000111.8G549 L552 Q553 R557 Q563 Y564 Y565 I585G549-A561 WeakPolarHBondContact O-CB 3.45Å; L552-A561 HydrophobicContact CB-CB 3.98Å; Q553-A561 HydrophobicContact CB-CB 4.03Å; R557-A561 PolarHBondContact O-N 3.06Å; A561-Q563 VanDerWaalsContact C-N 3.33Å; A561-Q563 PolarHBondContact O-N 2.78Å; A561-Y564 PolarHBondContact O-N 3.25Å; A561-Y565 HydrophobicContact CB-CE2 4.38Å; A561-Y565 VanDerWaalsContact O-CD2 3.31Å; A561-Y565 WeakPolarHBondContact O-CD2 3.23Å; A561-Y565 PolarHBondContact O-N 3.36Å; A561-I585 HydrophobicContact CB-CD1 4.15Å
562L96.7Very high95.5Very high27 Ų2758.7 Ų58.714%0.14131%0.306CS..Hα-helixtrans-60.5-40.5175.9-163.194.2000112F558 E560 Y565 K566 T582 I585 L586F558-L562 WeakPolarHBondContact O-CB 3.45Å; F558-L562 PolarHBondContact O-N 3.1Å; E560-L562 VanDerWaalsContact C-N 3.34Å; E560-L562 PolarHBondContact O-N 3Å; L562-Y565 PolarHBondContact O-N 2.9Å; L562-K566 HydrophobicContact CD2-CD 4.38Å; L562-K566 HydrophobicContact CG-CD 4.47Å; L562-K566 WeakPolarHBondContact O-CB 3.42Å; L562-K566 WeakPolarHBondContact O-CG 3.14Å; L562-K566 PolarHBondContact O-N 2.93Å; L562-T582 HydrophobicContact CD1-CG2 3.84Å; L562-I585 HydrophobicContact CD1-CB 4.37Å; L562-I585 HydrophobicContact CD1-CG2 4.07Å; L562-L586 HydrophobicContact CD1-CD2 4.03Å; L562-L586 HydrophobicContact CD1-CG 3.96Å; L562-L586 HydrophobicContact CD2-CD2 4.44Å
563Q96.9Very high95.3Very high117 Ų11762.5 Ų62.555%0.54733%0.331SS..Hα-helixtrans-61.4-47.4175.2-176.6-177.90.400111.2S559 E560 A561 K566 L567S559-Q563 PolarHBondContact O-N 3.24Å; E560-Q563 WeakPolarHBondContact O-CB 3.44Å; E560-Q563 PolarHBondContact O-N 3.37Å; E560-Q563 VanDerWaalsContact O-N 3.15Å; A561-Q563 VanDerWaalsContact C-N 3.33Å; A561-Q563 PolarHBondContact O-N 2.78Å; Q563-K566 PolarHBondContact O-N 2.95Å; Q563-L567 HydrophobicContact CG-CD1 4.49Å; Q563-L567 WeakPolarHBondContact O-CG 3.36Å; Q563-L567 PolarHBondContact O-N 3.43Å
564Y97.9Very high95Very high37 Ų3763 Ų6315%0.14534%0.337CS..Hα-helixtrans-68.2-35179.4-80.8-68.5000113.1R532 L535 L545 L548 L552 E560 A561 L567 A568R532-Y564 PolarHBondContact NH1-OH 2.8Å; L535-Y564 HydrophobicContact CD1-CE1 4.24Å; L545-Y564 HydrophobicContact CD2-CD1 3.75Å; L545-Y564 HydrophobicContact CD2-CE1 4.16Å; L548-Y564 HydrophobicContact CD2-CD1 3.91Å; L548-Y564 HydrophobicContact CD2-CD2 4.2Å; L548-Y564 HydrophobicContact CD2-CE1 3.57Å; L548-Y564 HydrophobicContact CD2-CE2 3.87Å; L548-Y564 HydrophobicContact CD2-CG 4.21Å; L548-Y564 HydrophobicContact CG-CD1 4.41Å; L548-Y564 HydrophobicContact CG-CD2 4.2Å; L548-Y564 HydrophobicContact CG-CE1 4.48Å; L548-Y564 HydrophobicContact CG-CE2 4.26Å; L548-Y564 HydrophobicContact CG-CG 4.28Å; L552-Y564 HydrophobicContact CD1-CD2 3.35Å; L552-Y564 HydrophobicContact CD1-CE2 3.75Å; L552-Y564 HydrophobicContact CD1-CG 4.32Å; E560-Y564 VanDerWaalsContact O-CD2 3.29Å; E560-Y564 WeakPolarHBondContact O-CD2 3.36Å; E560-Y564 PolarHBondContact O-N 2.97Å; A561-Y564 PolarHBondContact O-N 3.25Å; Y564-L567 HydrophobicContact CD1-CD1 4.18Å; Y564-L567 HydrophobicContact CE1-CD1 4.38Å; Y564-L567 PolarHBondContact O-N 3.46Å; Y564-A568 WeakPolarHBondContact O-CB 3.45Å; Y564-A568 PolarHBondContact O-N 2.86Å
565Y98.1Very high95Very high0 Ų058.7 Ų58.70%032%0.317CS..Hα-helixtrans-65.9-41.6170.7-64.6-37.4000112.5Y546 L550 Q553 A561 L562 L567 A568 I569 N581 T582 I585Y546-Y565 AromaticContact CD2-CD1 3.82Å; Y546-Y565 HydrophobicContact CD2-CD1 3.82Å; Y546-Y565 AromaticContact CD2-CE1 3.6Å; Y546-Y565 HydrophobicContact CD2-CE1 3.6Å; Y546-Y565 HydrophobicContact CE2-CD1 4.36Å; Y546-Y565 AromaticContact CE2-CE1 3.84Å; Y546-Y565 HydrophobicContact CE2-CE1 3.84Å; L550-Y565 WeakPolarHBondContact CA-OH 3.32Å; L550-Y565 PolarHBondContact N-OH 2.97Å; Q553-Y565 PolarHBondContact OE1-OH 2.76Å; A561-Y565 HydrophobicContact CB-CE2 4.38Å; A561-Y565 VanDerWaalsContact O-CD2 3.31Å; A561-Y565 WeakPolarHBondContact O-CD2 3.23Å; A561-Y565 PolarHBondContact O-N 3.36Å; L562-Y565 PolarHBondContact O-N 2.9Å; Y565-L567 VanDerWaalsContact C-N 3.31Å; Y565-L567 PolarHBondContact O-N 3.04Å; Y565-A568 WeakPolarHBondContact O-CB 3.41Å; Y565-A568 PolarHBondContact O-N 3.24Å; Y565-A568 VanDerWaalsContact O-N 3.13Å; Y565-I569 WeakPolarHBondContact O-CB 3.36Å; Y565-I569 VanDerWaalsContact O-CG1 3.32Å; Y565-I569 WeakPolarHBondContact O-CG1 3.3Å; Y565-I569 PolarHBondContact O-N 2.6Å; Y565-N581 HydrophobicContact CD2-CB 4.15Å; Y565-N581 HydrophobicContact CE1-CB 4.28Å; Y565-N581 HydrophobicContact CE2-CB 3.48Å; Y565-N581 VanDerWaalsContact CE2-CB 3.48Å; Y565-N581 PolarHBondContact OH-ND2 3.17Å; Y565-T582 VanDerWaalsContact CB-OG1 3.25Å; Y565-T582 WeakPolarHBondContact CB-OG1 3.42Å; Y565-I585 HydrophobicContact CD2-CD1 4.3Å; Y565-I585 HydrophobicContact CE2-CD1 3.83Å
566K96.8Very high95.1Very high96 Ų9656.2 Ų56.242%0.41730%0.3SS..Hα-helixtrans-60.8-38.8174.1-75178.7175.6-174.30111.6L562 Q563 G570 E594L562-K566 HydrophobicContact CD2-CD 4.38Å; L562-K566 HydrophobicContact CG-CD 4.47Å; L562-K566 WeakPolarHBondContact O-CB 3.42Å; L562-K566 WeakPolarHBondContact O-CG 3.14Å; L562-K566 PolarHBondContact O-N 2.93Å; Q563-K566 PolarHBondContact O-N 2.95Å; K566-G570 PolarHBondContact O-N 3.3Å; K566-E594 IonicContact NZ-OE1 3.51Å; K566-E594 PolarHBondContact NZ-OE1 2.71Å
567L97.4Very high95.1Very high82 Ų8249.8 Ų49.843%0.42927%0.272SS..Hα-helixtrans-67.3-39.3171.9-68.4172.3000113L545 Q563 Y564 Y565 G570 S571L545-L567 HydrophobicContact CD1-CB 4.04Å; L545-L567 HydrophobicContact CD2-CB 4Å; L545-L567 HydrophobicContact CD2-CD1 4.31Å; Q563-L567 HydrophobicContact CG-CD1 4.49Å; Q563-L567 WeakPolarHBondContact O-CG 3.36Å; Q563-L567 PolarHBondContact O-N 3.43Å; Y564-L567 HydrophobicContact CD1-CD1 4.18Å; Y564-L567 HydrophobicContact CE1-CD1 4.38Å; Y564-L567 PolarHBondContact O-N 3.46Å; Y565-L567 VanDerWaalsContact C-N 3.31Å; Y565-L567 PolarHBondContact O-N 3.04Å; L567-G570 PolarHBondContact O-N 3.04Å; L567-S571 WeakPolarHBondContact O-CB 3.31Å; L567-S571 PolarHBondContact O-N 2.88Å; L567-S571 PolarHBondContact O-OG 3.47Å
568A96.9Very high95.2Very high0 Ų046 Ų460%026%0.258CS..Hα-helixtrans-63.4-44.3177.400000111.4L545 Y564 Y565 S571 R572 L575 A578L545-A568 HydrophobicContact CB-CB 3.68Å; Y564-A568 WeakPolarHBondContact O-CB 3.45Å; Y564-A568 PolarHBondContact O-N 2.86Å; Y565-A568 WeakPolarHBondContact O-CB 3.41Å; Y565-A568 PolarHBondContact O-N 3.24Å; Y565-A568 VanDerWaalsContact O-N 3.13Å; A568-S571 PolarHBondContact O-N 2.9Å; A568-R572 PolarHBondContact O-N 2.83Å; A568-L575 HydrophobicContact CB-CD2 4.31Å; A568-A578 HydrophobicContact CB-CB 4.43Å
569I95.4Very high95.3Very high25 Ų2543.7 Ų43.713%0.12825%0.247CC..Hα-helixtrans-61.1-47173.5-70.1167.5000110.6Y565 S571 R572 P573 A578 Y579Y565-I569 WeakPolarHBondContact O-CB 3.36Å; Y565-I569 VanDerWaalsContact O-CG1 3.32Å; Y565-I569 WeakPolarHBondContact O-CG1 3.3Å; Y565-I569 PolarHBondContact O-N 2.6Å; I569-S571 PolarHBondContact O-N 3.38Å; I569-R572 CarbonylContact O-C 3.29Å; I569-R572 PolarHBondContact O-N 3.09Å; I569-P573 WeakPolarHBondContact O-CA 3.45Å; I569-P573 WeakPolarHBondContact O-CD 3.49Å; I569-A578 HydrophobicContact CD1-CB 4.25Å; I569-A578 HydrophobicContact CG1-CB 3.77Å; I569-Y579 HydrophobicContact CB-CE2 4.33Å; I569-Y579 HydrophobicContact CD1-CD1 4.08Å; I569-Y579 HydrophobicContact CD1-CD2 3.95Å; I569-Y579 HydrophobicContact CD1-CE1 4.19Å; I569-Y579 HydrophobicContact CD1-CE2 4.06Å; I569-Y579 HydrophobicContact CD1-CG 3.96Å; I569-Y579 HydrophobicContact CG1-CD2 3.91Å; I569-Y579 HydrophobicContact CG1-CE2 3.75Å; I569-Y579 HydrophobicContact CG1-CG 4.44Å; I569-Y579 HydrophobicContact CG2-CE1 4.18Å; I569-Y579 HydrophobicContact CG2-CE2 3.76Å; I569-Y579 VanDerWaalsContact CG2-CZ 3.48Å; I569-Y579 VanDerWaalsContact CG2-OH 3.26Å; I569-Y579 WeakPolarHBondContact CG2-OH 3.4Å
570G95.3Very high95.3Very high63 Ų6340.2 Ų40.265%0.64922%0.221SC*.Hα-helixtrans-60.5-29.4175.600000113.8K566 L567K566-G570 PolarHBondContact O-N 3.3Å; L567-G570 PolarHBondContact O-N 3.04Å
571S92.5Very high95.4Very high48 Ų4838.4 Ų38.434%0.33621%0.213SC..Hα-helixtrans-84.5-31.4177-57.90000113.5L545 L567 A568 I569L545-S571 WeakPolarHBondContact CD1-OG 3.5Å; L567-S571 WeakPolarHBondContact O-CB 3.31Å; L567-S571 PolarHBondContact O-N 2.88Å; L567-S571 PolarHBondContact O-OG 3.47Å; A568-S571 PolarHBondContact O-N 2.9Å; I569-S571 PolarHBondContact O-N 3.38Å
572R90.9Very high95.4Very high70 Ų7038.6 Ų38.626%0.26421%0.214SC..  trans-146.290.9175.8-174.8171.167.3-155.1-0.1110.2A542 D543 A568 I569 T574 L575A542-R572 HydrophobicContact CB-CB 3.48Å; A542-R572 VanDerWaalsContact CB-CB 3.48Å; D543-R572 VanDerWaalsContact CG-NH1 3.29Å; D543-R572 IonicContact OD1-CZ 3.18Å; D543-R572 VanDerWaalsContact OD1-CZ 3.23Å; D543-R572 IonicContact OD1-NH1 2.8Å; D543-R572 PolarHBondContact OD1-NH1 3.4Å; D543-R572 IonicContact OD1-NH2 3.31Å; D543-R572 PolarHBondContact OD1-NH2 2.62Å; D543-R572 IonicContact OD2-NH1 3.04Å; D543-R572 PolarHBondContact OD2-NH1 2.65Å; D543-R572 VanDerWaalsContact OD2-NH1 3.07Å; A568-R572 PolarHBondContact O-N 2.83Å; I569-R572 CarbonylContact O-C 3.29Å; I569-R572 PolarHBondContact O-N 3.09Å; R572-T574 PolarHBondContact O-N 3.4Å; R572-L575 HydrophobicContact CB-CB 4.44Å; R572-L575 HydrophobicContact CG-CB 4.38Å; R572-L575 VanDerWaalsContact NH2-CD2 3.34Å; R572-L575 VanDerWaalsContact O-CB 3.26Å; R572-L575 WeakPolarHBondContact O-CB 3.38Å; R572-L575 PolarHBondContact O-N 2.99Å
573P91.8Very high95.4Very high81 Ų8137.3 Ų37.353%0.52621%0.207SC..THydrogen-bonded Turntrans-61.3-16.5-178.7-27.636.2000115I569 L575 Y579I569-P573 WeakPolarHBondContact O-CA 3.45Å; I569-P573 WeakPolarHBondContact O-CD 3.49Å; P573-L575 VanDerWaalsContact C-N 3.29Å; P573-L575 PolarHBondContact O-N 3.42Å; P573-Y579 WeakPolarHBondContact O-CE2 3.4Å
574T90.1Very high95.3Very high57 Ų5733.7 Ų33.735%0.3519%0.191SC..THydrogen-bonded Turntrans-84.14176.353.60000114.4R572 A576 I605R572-T574 PolarHBondContact O-N 3.4Å; T574-A576 PolarHBondContact O-N 2.68Å; T574-I605 HydrophobicContact CG2-CG2 4.08Å
575L91.9Very high95.2Very high16 Ų1632 Ų328%0.08419%0.185CC..  trans-80.374.7-177.2-172.847.4000112.9A542 Y546 A568 R572 P573 S577 A578 Y579A542-L575 HydrophobicContact CB-CD2 4.4Å; Y546-L575 HydrophobicContact CG-CD2 4.27Å; A568-L575 HydrophobicContact CB-CD2 4.31Å; R572-L575 HydrophobicContact CB-CB 4.44Å; R572-L575 HydrophobicContact CG-CB 4.38Å; R572-L575 VanDerWaalsContact NH2-CD2 3.34Å; R572-L575 VanDerWaalsContact O-CB 3.26Å; R572-L575 WeakPolarHBondContact O-CB 3.38Å; R572-L575 PolarHBondContact O-N 2.99Å; P573-L575 VanDerWaalsContact C-N 3.29Å; P573-L575 PolarHBondContact O-N 3.42Å; L575-S577 VanDerWaalsContact CD1-OG 3.25Å; L575-S577 WeakPolarHBondContact CD1-OG 3.47Å; L575-S577 PolarHBondContact O-N 2.91Å; L575-S577 VanDerWaalsContact O-N 3.09Å; L575-A578 HydrophobicContact CB-CB 4.36Å; L575-A578 HydrophobicContact CD2-CB 4.01Å; L575-A578 HydrophobicContact CG-CB 3.83Å; L575-A578 WeakPolarHBondContact O-CB 3.23Å; L575-A578 PolarHBondContact O-N 3Å; L575-Y579 WeakPolarHBondContact O-CD2 3.3Å
576A94.1Very high95.1Very high2 Ų232.1 Ų32.12%0.01719%0.186CC..Hα-helixtrans-49.9-36.3-178.800000114.6T574 A578 Y579 L580 I605 V620T574-A576 PolarHBondContact O-N 2.68Å; A576-A578 VanDerWaalsContact C-N 3.31Å; A576-A578 PolarHBondContact O-N 3.34Å; A576-Y579 PolarHBondContact O-N 3.45Å; A576-L580 PolarHBondContact O-N 3.39Å; A576-I605 HydrophobicContact CB-CD1 4.11Å; A576-V620 HydrophobicContact CB-CG2 4.09Å
577S94.9Very high94.9Very high19 Ų1928.5 Ų28.513%0.13317%0.171CC..Hα-helixtrans-65.4-29.4178.465.10000113.9Y546 L575 N581Y546-S577 WeakPolarHBondContact CE2-O 3.33Å; L575-S577 VanDerWaalsContact CD1-OG 3.25Å; L575-S577 WeakPolarHBondContact CD1-OG 3.47Å; L575-S577 PolarHBondContact O-N 2.91Å; L575-S577 VanDerWaalsContact O-N 3.09Å; S577-N581 PolarHBondContact O-N 3.23Å
578A96.3Very high94.6Very high0 Ų030.5 Ų30.50%018%0.182CC..Hα-helixtrans-72.7-37.1174.700000111.4Y546 A568 I569 L575 A576 T582Y546-A578 HydrophobicContact CD2-CB 3.86Å; Y546-A578 HydrophobicContact CE2-CB 4.37Å; A568-A578 HydrophobicContact CB-CB 4.43Å; I569-A578 HydrophobicContact CD1-CB 4.25Å; I569-A578 HydrophobicContact CG1-CB 3.77Å; L575-A578 HydrophobicContact CB-CB 4.36Å; L575-A578 HydrophobicContact CD2-CB 4.01Å; L575-A578 HydrophobicContact CG-CB 3.83Å; L575-A578 WeakPolarHBondContact O-CB 3.23Å; L575-A578 PolarHBondContact O-N 3Å; A576-A578 VanDerWaalsContact C-N 3.31Å; A576-A578 PolarHBondContact O-N 3.34Å; A578-T582 VanDerWaalsContact O-CB 3.28Å; A578-T582 WeakPolarHBondContact O-CB 3.34Å; A578-T582 PolarHBondContact O-N 2.73Å; A578-T582 PolarHBondContact O-OG1 3.43Å
579Y97.4Very high94.3Very high30 Ų3035.7 Ų35.712%0.11821%0.206CC..Hα-helixtrans-65.2-44.2172.1-72-97.9000111.4I569 P573 L575 A576 N581 T582 G583 T598 T601 C602 I605I569-Y579 HydrophobicContact CB-CE2 4.33Å; I569-Y579 HydrophobicContact CD1-CD1 4.08Å; I569-Y579 HydrophobicContact CD1-CD2 3.95Å; I569-Y579 HydrophobicContact CD1-CE1 4.19Å; I569-Y579 HydrophobicContact CD1-CE2 4.06Å; I569-Y579 HydrophobicContact CD1-CG 3.96Å; I569-Y579 HydrophobicContact CG1-CD2 3.91Å; I569-Y579 HydrophobicContact CG1-CE2 3.75Å; I569-Y579 HydrophobicContact CG1-CG 4.44Å; I569-Y579 HydrophobicContact CG2-CE1 4.18Å; I569-Y579 HydrophobicContact CG2-CE2 3.76Å; I569-Y579 VanDerWaalsContact CG2-CZ 3.48Å; I569-Y579 VanDerWaalsContact CG2-OH 3.26Å; I569-Y579 WeakPolarHBondContact CG2-OH 3.4Å; P573-Y579 WeakPolarHBondContact O-CE2 3.4Å; L575-Y579 WeakPolarHBondContact O-CD2 3.3Å; A576-Y579 PolarHBondContact O-N 3.45Å; Y579-N581 PolarHBondContact O-N 3.48Å; Y579-T582 PolarHBondContact O-N 2.99Å; Y579-G583 PolarHBondContact O-N 3.04Å; Y579-T598 HydrophobicContact CD1-CG2 3.99Å; Y579-T598 VanDerWaalsContact O-CG2 3.24Å; Y579-T598 WeakPolarHBondContact O-CG2 3.27Å; Y579-T601 HydrophobicContact CD1-CG2 4.24Å; Y579-T601 HydrophobicContact CE1-CG2 3.5Å; Y579-T601 VanDerWaalsContact CE1-CG2 3.5Å; Y579-C602 HydrophobicContact CG-CB 4.3Å; Y579-I605 HydrophobicContact CD2-CD1 3.76Å; Y579-I605 HydrophobicContact CE2-CD1 3.76Å; Y579-I605 HydrophobicContact CG-CD1 4.46Å
580L97.1Very high94.1Very high19 Ų1936.8 Ų36.810%0.09922%0.223CC..Hα-helixtrans-52.8-54.6176.5177.461.5000111.6A576 T582 G583 I584 F599A576-L580 PolarHBondContact O-N 3.39Å; L580-T582 PolarHBondContact O-N 2.85Å; L580-G583 PolarHBondContact O-N 3.49Å; L580-I584 HydrophobicContact CD1-CD1 3.88Å; L580-I584 HydrophobicContact CD1-CG1 4.45Å; L580-I584 HydrophobicContact CG-CD1 3.98Å; L580-I584 WeakPolarHBondContact O-CG1 3.26Å; L580-I584 PolarHBondContact O-N 3.39Å; L580-F599 HydrophobicContact CD1-CE1 4.33Å
581N97.7Very high94Very high18 Ų1836.9 Ų36.910%0.09621%0.209CC..Hα-helixtrans-68.6-36.2-177.9-64.8-2.8000112.2Y546 L550 Y565 S577 Y579 I584 I585Y546-N581 WeakPolarHBondContact CE2-ND2 3.22Å; Y546-N581 PolarHBondContact OH-ND2 3.45Å; L550-N581 VanDerWaalsContact CD2-ND2 3.28Å; L550-N581 WeakPolarHBondContact CD2-ND2 3.29Å; Y565-N581 HydrophobicContact CD2-CB 4.15Å; Y565-N581 HydrophobicContact CE1-CB 4.28Å; Y565-N581 HydrophobicContact CE2-CB 3.48Å; Y565-N581 VanDerWaalsContact CE2-CB 3.48Å; Y565-N581 PolarHBondContact OH-ND2 3.17Å; S577-N581 PolarHBondContact O-N 3.23Å; Y579-N581 PolarHBondContact O-N 3.48Å; N581-I584 PolarHBondContact O-N 3.32Å; N581-I585 WeakPolarHBondContact O-CG1 3.26Å; N581-I585 PolarHBondContact O-N 2.95Å
582T97.6Very high94Very high3 Ų337 Ų372%0.01821%0.205CC..Hα-helixtrans-59.1-48.5173.1-59.80000110.8L562 Y565 A578 Y579 L580 I584 I585 L586 T598L562-T582 HydrophobicContact CD1-CG2 3.84Å; Y565-T582 VanDerWaalsContact CB-OG1 3.25Å; Y565-T582 WeakPolarHBondContact CB-OG1 3.42Å; A578-T582 VanDerWaalsContact O-CB 3.28Å; A578-T582 WeakPolarHBondContact O-CB 3.34Å; A578-T582 PolarHBondContact O-N 2.73Å; A578-T582 PolarHBondContact O-OG1 3.43Å; Y579-T582 PolarHBondContact O-N 2.99Å; L580-T582 PolarHBondContact O-N 2.85Å; T582-I584 PolarHBondContact O-N 3.06Å; T582-I585 PolarHBondContact O-N 3.05Å; T582-L586 HydrophobicContact CG2-CD1 3.86Å; T582-L586 HydrophobicContact CG2-CG 4.5Å; T582-L586 WeakPolarHBondContact O-CB 3.33Å; T582-L586 VanDerWaalsContact O-CG 3.25Å; T582-L586 WeakPolarHBondContact O-CG 3.22Å; T582-L586 PolarHBondContact O-N 3.02Å; T582-T598 HydrophobicContact CG2-CG2 4.06Å
583G96.5Very high94.1Very high0 Ų040.4 Ų40.40%023%0.225CC..Hα-helixtrans-64.3-39179.200000113Y579 L580 L586 M587Y579-G583 PolarHBondContact O-N 3.04Å; L580-G583 PolarHBondContact O-N 3.49Å; G583-L586 PolarHBondContact O-N 2.87Å; G583-M587 VanDerWaalsContact O-CB 3.25Å; G583-M587 WeakPolarHBondContact O-CB 3.25Å; G583-M587 PolarHBondContact O-N 2.86Å
584I95.5Very high94.3Very high41 Ų4139.8 Ų39.821%0.2121%0.214CC..Hα-helixtrans-63.4-45.6175.7-69.1165.5000111.1L580 N581 T582 M587 N588 F599L580-I584 HydrophobicContact CD1-CD1 3.88Å; L580-I584 HydrophobicContact CD1-CG1 4.45Å; L580-I584 HydrophobicContact CG-CD1 3.98Å; L580-I584 WeakPolarHBondContact O-CG1 3.26Å; L580-I584 PolarHBondContact O-N 3.39Å; N581-I584 PolarHBondContact O-N 3.32Å; T582-I584 PolarHBondContact O-N 3.06Å; I584-M587 PolarHBondContact O-N 2.74Å; I584-N588 WeakPolarHBondContact O-CB 3.33Å; I584-N588 VanDerWaalsContact O-CG 3.24Å; I584-N588 PolarHBondContact O-N 3.43Å; I584-N588 PolarHBondContact O-OD1 3.46Å; I584-F599 HydrophobicContact CG1-CE1 4.42Å; I584-F599 HydrophobicContact CG1-CZ 4.27Å
585I95.6Very high94.6Very high3 Ų337 Ų372%0.01520%0.198CC..Hα-helixtrans-61.6-46.9176.6-69174.4000110.7Q553 F558 A561 L562 Y565 N581 T582 M587 N588 Q589Q553-I585 HydrophobicContact CG-CD1 4.1Å; F558-I585 HydrophobicContact CB-CG2 4.08Å; F558-I585 HydrophobicContact CD1-CD1 4.16Å; F558-I585 HydrophobicContact CD1-CG1 4.12Å; A561-I585 HydrophobicContact CB-CD1 4.15Å; L562-I585 HydrophobicContact CD1-CB 4.37Å; L562-I585 HydrophobicContact CD1-CG2 4.07Å; Y565-I585 HydrophobicContact CD2-CD1 4.3Å; Y565-I585 HydrophobicContact CE2-CD1 3.83Å; N581-I585 WeakPolarHBondContact O-CG1 3.26Å; N581-I585 PolarHBondContact O-N 2.95Å; T582-I585 PolarHBondContact O-N 3.05Å; I585-M587 PolarHBondContact O-N 2.82Å; I585-N588 PolarHBondContact O-N 3.43Å; I585-Q589 HydrophobicContact CG2-CG 4.45Å; I585-Q589 WeakPolarHBondContact O-CB 3.48Å; I585-Q589 WeakPolarHBondContact O-CG 3.48Å; I585-Q589 PolarHBondContact O-N 3.26Å
586L95.4Very high94.8Very high2 Ų238.4 Ų38.41%0.0120%0.203CC..Hα-helixtrans-62.5-41.4179.8-70.3168.7000112.4L562 T582 G583 Q589 G590 N591 E594 A595L562-L586 HydrophobicContact CD1-CD2 4.03Å; L562-L586 HydrophobicContact CD1-CG 3.96Å; L562-L586 HydrophobicContact CD2-CD2 4.44Å; T582-L586 HydrophobicContact CG2-CD1 3.86Å; T582-L586 HydrophobicContact CG2-CG 4.5Å; T582-L586 WeakPolarHBondContact O-CB 3.33Å; T582-L586 VanDerWaalsContact O-CG 3.25Å; T582-L586 WeakPolarHBondContact O-CG 3.22Å; T582-L586 PolarHBondContact O-N 3.02Å; G583-L586 PolarHBondContact O-N 2.87Å; L586-Q589 CarbonylContact O-C 3.19Å; L586-Q589 PolarHBondContact O-N 3.01Å; L586-G590 PolarHBondContact O-N 3.02Å; L586-N591 HydrophobicContact CB-CB 4.46Å; L586-N591 HydrophobicContact CD2-CB 4.15Å; L586-N591 PolarHBondContact O-N 3.06Å; L586-E594 HydrophobicContact CD1-CB 3.98Å; L586-E594 HydrophobicContact CD1-CG 3.72Å; L586-E594 HydrophobicContact CD2-CB 4.45Å; L586-E594 HydrophobicContact CD2-CG 4.47Å; L586-A595 HydrophobicContact CB-CB 3.86Å
587M93.6Very high94.8Very high20 Ų2047.5 Ų47.510%0.09924%0.237CC..Hα-helixtrans-61.8-47175.8-176.8176.972.400111.2G583 I584 I585 Q589 G590 L592 A595 F599 L630G583-M587 VanDerWaalsContact O-CB 3.25Å; G583-M587 WeakPolarHBondContact O-CB 3.25Å; G583-M587 PolarHBondContact O-N 2.86Å; I584-M587 PolarHBondContact O-N 2.74Å; I585-M587 PolarHBondContact O-N 2.82Å; M587-Q589 VanDerWaalsContact C-N 3.25Å; M587-Q589 PolarHBondContact O-N 3.47Å; M587-G590 PolarHBondContact O-N 3.35Å; M587-L592 HydrophobicContact CG-CD2 4.42Å; M587-A595 HydrophobicContact CB-CB 4.07Å; M587-F599 HydrophobicContact SD-CE2 4.39Å; M587-L630 HydrophobicContact CG-CD1 4.18Å; M587-L630 HydrophobicContact SD-CB 4.25Å; M587-L630 HydrophobicContact SD-CD1 4.33Å
588N90.4Very high94.9Very high124 Ų12447.3 Ų47.366%0.66324%0.235SC*.Hα-helixtrans-65.9-26.6177.5-68.3-2.8000112.9I584 I585 G590I584-N588 WeakPolarHBondContact O-CB 3.33Å; I584-N588 VanDerWaalsContact O-CG 3.24Å; I584-N588 PolarHBondContact O-N 3.43Å; I584-N588 PolarHBondContact O-OD1 3.46Å; I585-N588 PolarHBondContact O-N 3.43Å; N588-G590 VanDerWaalsContact C-N 3.31Å
589Q90.8Very high95Very high109 Ų10947.3 Ų47.351%0.50924%0.235SC..THydrogen-bonded Turntrans-83.4-0.8173.6-72176.6-10.900113.6I585 L586 M587 N591I585-Q589 HydrophobicContact CG2-CG 4.45Å; I585-Q589 WeakPolarHBondContact O-CB 3.48Å; I585-Q589 WeakPolarHBondContact O-CG 3.48Å; I585-Q589 PolarHBondContact O-N 3.26Å; L586-Q589 CarbonylContact O-C 3.19Å; L586-Q589 PolarHBondContact O-N 3.01Å; M587-Q589 VanDerWaalsContact C-N 3.25Å; M587-Q589 PolarHBondContact O-N 3.47Å; Q589-N591 VanDerWaalsContact C-N 3.28Å; Q589-N591 PolarHBondContact O-N 3.08Å
590G89.8Confident94.9Very high48 Ų4849.6 Ų49.650%0.49525%0.249SC..THydrogen-bonded Turntrans75.67.8-177.100000115L586 M587 N588 L592L586-G590 PolarHBondContact O-N 3.02Å; M587-G590 PolarHBondContact O-N 3.35Å; N588-G590 VanDerWaalsContact C-N 3.31Å; G590-L592 PolarHBondContact O-N 3.19Å
591N93.4Very high94.8Very high64 Ų6451.4 Ų51.434%0.34226%0.261SS..  trans-84.869.3173.8-173.6-2.2000110.3L586 Q589 E594 A595L586-N591 HydrophobicContact CB-CB 4.46Å; L586-N591 HydrophobicContact CD2-CB 4.15Å; L586-N591 PolarHBondContact O-N 3.06Å; Q589-N591 VanDerWaalsContact C-N 3.28Å; Q589-N591 PolarHBondContact O-N 3.08Å; N591-E594 PolarHBondContact ND2-OE2 2.74Å; N591-E594 PolarHBondContact O-N 2.83Å; N591-E594 VanDerWaalsContact OD1-CB 3.3Å; N591-E594 WeakPolarHBondContact OD1-CB 3.36Å; N591-E594 PolarHBondContact OD1-N 3.49Å; N591-A595 WeakPolarHBondContact O-CB 3.46Å; N591-A595 PolarHBondContact O-N 2.95Å
592L93.1Very high94.7Very high50 Ų5050.5 Ų50.526%0.26226%0.256SS..Hα-helixtrans-69.9-34.9-165.2-65.1157.4000113.3M587 G590 A595 K596 L630 H634M587-L592 HydrophobicContact CG-CD2 4.42Å; G590-L592 PolarHBondContact O-N 3.19Å; L592-A595 PolarHBondContact O-N 2.97Å; L592-K596 WeakPolarHBondContact O-CB 3.45Å; L592-K596 PolarHBondContact O-N 3.05Å; L592-L630 HydrophobicContact CB-CD1 4.43Å; L592-L630 HydrophobicContact CD2-CD1 3.81Å; L592-L630 HydrophobicContact CD2-CG 4.04Å; L592-H634 WeakPolarHBondContact CD1-NE2 3.45Å
593E93.9Very high94.5Very high143 Ų14350.7 Ų50.767%0.66826%0.257SS*.Hα-helixtrans-71.5-41.2177.8-70-58.5139.400112.4A595 K596 R597E593-A595 VanDerWaalsContact C-N 3.33Å; E593-K596 PolarHBondContact O-N 3.24Å; E593-R597 WeakPolarHBondContact O-CB 3.49Å; E593-R597 PolarHBondContact O-N 3.23Å
594E94.8Very high94.2Very high67 Ų6756.7 Ų56.731%0.31329%0.29SS..Hα-helixtrans-68-36.2174.2-160.5-179.4161.300110.6K566 L586 N591 T598K566-E594 IonicContact NZ-OE1 3.51Å; K566-E594 PolarHBondContact NZ-OE1 2.71Å; L586-E594 HydrophobicContact CD1-CB 3.98Å; L586-E594 HydrophobicContact CD1-CG 3.72Å; L586-E594 HydrophobicContact CD2-CB 4.45Å; L586-E594 HydrophobicContact CD2-CG 4.47Å; N591-E594 PolarHBondContact ND2-OE2 2.74Å; N591-E594 PolarHBondContact O-N 2.83Å; N591-E594 VanDerWaalsContact OD1-CB 3.3Å; N591-E594 WeakPolarHBondContact OD1-CB 3.36Å; N591-E594 PolarHBondContact OD1-N 3.49Å; E594-T598 VanDerWaalsContact O-CB 3.28Å; E594-T598 WeakPolarHBondContact O-CB 3.46Å; E594-T598 PolarHBondContact O-N 3.46Å; E594-T598 PolarHBondContact O-OG1 3.3Å
595A96.3Very high94Very high0 Ų055.6 Ų55.60%028%0.284CS..Hα-helixtrans-61.7-51.1171.900000112.2L586 M587 N591 L592 E593 R597 T598 F599 L630L586-A595 HydrophobicContact CB-CB 3.86Å; M587-A595 HydrophobicContact CB-CB 4.07Å; N591-A595 WeakPolarHBondContact O-CB 3.46Å; N591-A595 PolarHBondContact O-N 2.95Å; L592-A595 PolarHBondContact O-N 2.97Å; E593-A595 VanDerWaalsContact C-N 3.33Å; A595-R597 VanDerWaalsContact C-N 3.35Å; A595-R597 PolarHBondContact O-N 2.71Å; A595-T598 WeakPolarHBondContact O-CB 3.47Å; A595-T598 PolarHBondContact O-N 3.12Å; A595-T598 VanDerWaalsContact O-N 3.09Å; A595-F599 HydrophobicContact CB-CE2 4.3Å; A595-F599 VanDerWaalsContact O-CD2 3.26Å; A595-F599 WeakPolarHBondContact O-CD2 3.35Å; A595-F599 PolarHBondContact O-N 3.39Å; A595-L630 HydrophobicContact CB-CD1 4.05Å
596K95.8Very high93.5Very high45 Ų4559.5 Ų59.520%0.19631%0.309CS..Hα-helixtrans-54.1-49.4176.6179.8166.5-175169.30111.1L592 E593 T598 F599 L600 L627 L631 E639L592-K596 WeakPolarHBondContact O-CB 3.45Å; L592-K596 PolarHBondContact O-N 3.05Å; E593-K596 PolarHBondContact O-N 3.24Å; K596-T598 VanDerWaalsContact C-N 3.35Å; K596-T598 PolarHBondContact O-N 3.02Å; K596-F599 PolarHBondContact O-N 3.43Å; K596-L600 HydrophobicContact CG-CD1 4.18Å; K596-L600 WeakPolarHBondContact O-CG 3.3Å; K596-L600 PolarHBondContact O-N 3.21Å; K596-L627 HydrophobicContact CB-CD1 4.37Å; K596-L627 HydrophobicContact CG-CD1 3.8Å; K596-L631 HydrophobicContact CD-CD2 4.45Å; K596-E639 IonicContact NZ-OE2 3.18Å
597R96.1Very high92.8Very high192 Ų19262.9 Ų62.973%0.72533%0.328SS*.Hα-helixtrans-62.9-38.4176.8-172.6176.9-178.2175.42.1112.9E593 A595 T601E593-R597 WeakPolarHBondContact O-CB 3.49Å; E593-R597 PolarHBondContact O-N 3.23Å; A595-R597 VanDerWaalsContact C-N 3.35Å; A595-R597 PolarHBondContact O-N 2.71Å; R597-T601 WeakPolarHBondContact O-CB 3.31Å; R597-T601 PolarHBondContact O-N 3.44Å; R597-T601 PolarHBondContact O-OG1 2.91Å
598T96.8Very high91.9Very high16 Ų1668.7 Ų68.710%0.09836%0.355CS..Hα-helixtrans-66.6-43.7179-60.30000111.5Y579 T582 E594 A595 K596 T601 C602Y579-T598 HydrophobicContact CD1-CG2 3.99Å; Y579-T598 VanDerWaalsContact O-CG2 3.24Å; Y579-T598 WeakPolarHBondContact O-CG2 3.27Å; T582-T598 HydrophobicContact CG2-CG2 4.06Å; E594-T598 VanDerWaalsContact O-CB 3.28Å; E594-T598 WeakPolarHBondContact O-CB 3.46Å; E594-T598 PolarHBondContact O-N 3.46Å; E594-T598 PolarHBondContact O-OG1 3.3Å; A595-T598 WeakPolarHBondContact O-CB 3.47Å; A595-T598 PolarHBondContact O-N 3.12Å; A595-T598 VanDerWaalsContact O-N 3.09Å; K596-T598 VanDerWaalsContact C-N 3.35Å; K596-T598 PolarHBondContact O-N 3.02Å; T598-T601 PolarHBondContact O-N 3.33Å; T598-C602 WeakPolarHBondContact O-CB 3.46Å; T598-C602 PolarHBondContact O-N 2.91Å
599F97.3Very high90.8Very high0 Ų068.8 Ų68.80%036%0.355CS..Hα-helixtrans-68.8-37.7176.5-63.9-47.9000113.1L580 I584 M587 A595 K596 C602 A603 C623 N626 L627L580-F599 HydrophobicContact CD1-CE1 4.33Å; I584-F599 HydrophobicContact CG1-CE1 4.42Å; I584-F599 HydrophobicContact CG1-CZ 4.27Å; M587-F599 HydrophobicContact SD-CE2 4.39Å; A595-F599 HydrophobicContact CB-CE2 4.3Å; A595-F599 VanDerWaalsContact O-CD2 3.26Å; A595-F599 WeakPolarHBondContact O-CD2 3.35Å; A595-F599 PolarHBondContact O-N 3.39Å; K596-F599 PolarHBondContact O-N 3.43Å; F599-C602 WeakPolarHBondContact O-CB 3.37Å; F599-C602 PolarHBondContact O-N 3.38Å; F599-A603 PolarHBondContact O-N 3.29Å; F599-C623 HydrophobicContact CB-CB 4.43Å; F599-C623 HydrophobicContact CD1-CB 4.06Å; F599-N626 HydrophobicContact CD1-CB 4.44Å; F599-N626 HydrophobicContact CD2-CB 4.39Å; F599-N626 HydrophobicContact CE1-CB 3.83Å; F599-N626 HydrophobicContact CE2-CB 3.79Å; F599-N626 HydrophobicContact CZ-CB 3.47Å; F599-N626 VanDerWaalsContact CZ-CB 3.47Å; F599-L627 HydrophobicContact CB-CB 3.85Å; F599-L627 HydrophobicContact CD2-CB 4.25Å; F599-L627 HydrophobicContact CG-CB 4.35Å
600L95.3Very high89.8Confident78 Ų7864.6 Ų64.641%0.40834%0.336SS..Hα-helixtrans-60.6-49.7171.7-74.6168.1000111.1K596 C602 A603 D604 L627K596-L600 HydrophobicContact CG-CD1 4.18Å; K596-L600 WeakPolarHBondContact O-CG 3.3Å; K596-L600 PolarHBondContact O-N 3.21Å; L600-C602 PolarHBondContact O-N 2.81Å; L600-A603 WeakPolarHBondContact O-CB 3.21Å; L600-A603 PolarHBondContact O-N 3.38Å; L600-D604 PolarHBondContact O-N 3.14Å; L600-L627 HydrophobicContact CD2-CD2 3.61Å; L600-L627 HydrophobicContact CG-CD2 3.91Å
601T95.4Very high88.5Confident56 Ų5671.4 Ų71.434%0.34435%0.352SS..Hα-helixtrans-58.6-37.2177.7-50.10000111.7Y579 R597 T598 I605Y579-T601 HydrophobicContact CD1-CG2 4.24Å; Y579-T601 HydrophobicContact CE1-CG2 3.5Å; Y579-T601 VanDerWaalsContact CE1-CG2 3.5Å; R597-T601 WeakPolarHBondContact O-CB 3.31Å; R597-T601 PolarHBondContact O-N 3.44Å; R597-T601 PolarHBondContact O-OG1 2.91Å; T598-T601 PolarHBondContact O-N 3.33Å; T601-I605 VanDerWaalsContact O-CG1 3.3Å; T601-I605 WeakPolarHBondContact O-CG1 3.33Å
602C95.3Very high87.5Confident0 Ų072.3 Ų72.30%036%0.357CS..Hα-helixtrans-62.4-41.1173.4-179.90000112.8Y579 T598 F599 L600 D604 I605 C623Y579-C602 HydrophobicContact CG-CB 4.3Å; T598-C602 WeakPolarHBondContact O-CB 3.46Å; T598-C602 PolarHBondContact O-N 2.91Å; F599-C602 WeakPolarHBondContact O-CB 3.37Å; F599-C602 PolarHBondContact O-N 3.38Å; L600-C602 PolarHBondContact O-N 2.81Å; C602-D604 VanDerWaalsContact C-N 3.29Å; C602-D604 PolarHBondContact O-N 3.42Å; C602-I605 WeakPolarHBondContact O-CG1 3.28Å; C602-I605 PolarHBondContact O-N 3.21Å; C602-C623 HydrophobicContact CB-CB 3.59Å; C602-C623 WeakPolarHBondContact CB-SG 3.31Å; C602-C623 WeakPolarHBondContact SG-CB 3.4Å; C602-C623 CovalentContact SG-SG 2.04Å; C602-C623 PolarHBondContact SG-SG 3.3Å
603A92.8Very high86.8Confident6 Ų671.3 Ų71.35%0.0535%0.353CS..Hα-helixtrans-69.6-25.4-177.600000114F599 L600 L624 K650F599-A603 PolarHBondContact O-N 3.29Å; L600-A603 WeakPolarHBondContact O-CB 3.21Å; L600-A603 PolarHBondContact O-N 3.38Å; A603-L624 HydrophobicContact CB-CD1 4.33Å; A603-L624 HydrophobicContact CB-CD2 3.62Å; A603-L624 HydrophobicContact CB-CG 3.88Å; A603-K650 PolarHBondContact O-NZ 3.4Å
604D91.4Very high86.2Confident127 Ų12769.7 Ų69.768%0.67935%0.345SS*.THydrogen-bonded Turntrans-91.1-1.6-179.9-67.7-28.6000114L600 C602 P606L600-D604 PolarHBondContact O-N 3.14Å; C602-D604 VanDerWaalsContact C-N 3.29Å; C602-D604 PolarHBondContact O-N 3.42Å; D604-P606 WeakPolarHBondContact O-CD 3.49Å
605I90.7Very high85.8Confident18 Ų1868.7 Ų68.79%0.09235%0.349CS..SBendtrans-66.6127.5178.7-58.2178.3000109.8T574 A576 Y579 T601 C602T574-I605 HydrophobicContact CG2-CG2 4.08Å; A576-I605 HydrophobicContact CB-CD1 4.11Å; Y579-I605 HydrophobicContact CD2-CD1 3.76Å; Y579-I605 HydrophobicContact CE2-CD1 3.76Å; Y579-I605 HydrophobicContact CG-CD1 4.46Å; T601-I605 VanDerWaalsContact O-CG1 3.3Å; T601-I605 WeakPolarHBondContact O-CG1 3.33Å; C602-I605 WeakPolarHBondContact O-CG1 3.28Å; C602-I605 PolarHBondContact O-N 3.21Å
606P85.7Confident85.4Confident84 Ų8469.4 Ų69.455%0.54535%0.352SS..  trans-62.3141.8176.2-23.434000113.2D604 E608D604-P606 WeakPolarHBondContact O-CD 3.49Å; P606-E608 VanDerWaalsContact C-N 3.33Å
607D80.8Confident85.2Confident73 Ų7370.7 Ų70.739%0.3936%0.358SS..  trans-90.15.4177.770.1-29.2000113.8K617D607-K617 WeakPolarHBondContact OD2-CE 3.23Å; D607-K617 IonicContact OD2-NZ 3.72Å; D607-K617 PolarHBondContact OD2-NZ 3.01Å
608E74.6Confident85Confident143 Ų14362.9 Ų62.967%0.66833%0.333SS*.THydrogen-bonded Turntrans-73.9140.4-177.5-64-168.4-176.500113.8P606 L610P606-E608 VanDerWaalsContact C-N 3.33Å; E608-L610 PolarHBondContact O-N 3.49Å
609N66.1Low85Confident126 Ų12662.9 Ų62.967%0.67433%0.333SS*.THydrogen-bonded Turntrans5522171.7-58.6-60.3000115.6
610L70.4Confident84.9Confident21 Ų2163.2 Ų63.211%0.1134%0.335CS..  trans-74.6143.7179.8-59.7-178.3000112.5E608 D612 P613 H616E608-L610 PolarHBondContact O-N 3.49Å; L610-D612 VanDerWaalsContact C-N 3.29Å; L610-D612 PolarHBondContact O-N 2.9Å; L610-P613 HydrophobicContact CB-CG 4.35Å; L610-H616 HydrophobicContact CD1-CB 3.55Å; L610-H616 VanDerWaalsContact CD1-CD2 3.44Å; L610-H616 WeakPolarHBondContact CD1-CD2 3.35Å; L610-H616 WeakPolarHBondContact CD1-ND1 3.36Å
611K63.5Low84.9Confident190 Ų19059.5 Ų59.583%0.82632%0.316SS*.SBendtrans-63.6-34.6175.5-176.2-179.4176.2-174.60112.5
612D71.5Confident85Confident83 Ų8358.1 Ų58.144%0.44431%0.309SS..  trans-137.890.8173-174.2-16.4000109.6L610 H614 A615 H616L610-D612 VanDerWaalsContact C-N 3.29Å; L610-D612 PolarHBondContact O-N 2.9Å; D612-H614 PolarHBondContact O-N 2.8Å; D612-H614 WeakPolarHBondContact OD1-CA 3.45Å; D612-H614 WeakPolarHBondContact OD1-CB 3.29Å; D612-H614 PolarHBondContact OD1-N 2.77Å; D612-A615 HydrophobicContact CB-CB 4.3Å; D612-A615 VanDerWaalsContact CG-CB 3.49Å; D612-A615 PolarHBondContact OD1-N 2.88Å; D612-A615 VanDerWaalsContact OD2-CB 3.27Å; D612-A615 WeakPolarHBondContact OD2-CB 3.31Å; D612-H616 WeakPolarHBondContact O-CB 3.18Å; D612-H616 PolarHBondContact O-N 2.85Å
613P78.9Confident85.1Confident29 Ų2958.1 Ų58.119%0.18831%0.309CS..Hα-helixtrans-65.2-22.5176.5-20.433.2000113.1L610 K617L610-P613 HydrophobicContact CB-CG 4.35Å; P613-K617 WeakPolarHBondContact O-CB 3.47Å; P613-K617 VanDerWaalsContact O-CG 3.28Å; P613-K617 WeakPolarHBondContact O-CG 3.37Å; P613-K617 PolarHBondContact O-N 3.35Å
614H81.4Confident85.3Confident109 Ų10957.9 Ų57.951%0.50531%0.307SS..Hα-helixtrans-80.7-47.4-174.6-75.9-46000112.2D612 H616 K617 S618 Q654D612-H614 PolarHBondContact O-N 2.8Å; D612-H614 WeakPolarHBondContact OD1-CA 3.45Å; D612-H614 WeakPolarHBondContact OD1-CB 3.29Å; D612-H614 PolarHBondContact OD1-N 2.77Å; H614-H616 VanDerWaalsContact C-N 3.28Å; H614-H616 PolarHBondContact O-N 3.29Å; H614-K617 PolarHBondContact O-N 2.97Å; H614-S618 WeakPolarHBondContact O-CB 3.34Å; H614-S618 PolarHBondContact O-N 3.23Å; H614-S618 PolarHBondContact O-OG 3.16Å; H614-Q654 VanDerWaalsContact CB-NE2 3.3Å; H614-Q654 PolarHBondContact ND1-NE2 3.44Å; H614-Q654 VanDerWaalsContact ND1-NE2 3.17Å
615A85.1Confident85.6Confident47 Ų4754.1 Ų54.139%0.38828%0.283SS..Hα-helixtrans-63.5-37.517200000111.3D612 S618 S619D612-A615 HydrophobicContact CB-CB 4.3Å; D612-A615 VanDerWaalsContact CG-CB 3.49Å; D612-A615 PolarHBondContact OD1-N 2.88Å; D612-A615 VanDerWaalsContact OD2-CB 3.27Å; D612-A615 WeakPolarHBondContact OD2-CB 3.31Å; A615-S618 PolarHBondContact O-N 3.17Å; A615-S619 WeakPolarHBondContact O-CB 3.36Å; A615-S619 PolarHBondContact O-N 2.76Å; A615-S619 PolarHBondContact O-OG 3.28Å
616H89.1Confident85.9Confident14 Ų1454.3 Ų54.37%0.06528%0.284CS..Hα-helixtrans-59.3-56.3172.8169.689.5000111.9L610 D612 H614 S618 S619 V620L610-H616 HydrophobicContact CD1-CB 3.55Å; L610-H616 VanDerWaalsContact CD1-CD2 3.44Å; L610-H616 WeakPolarHBondContact CD1-CD2 3.35Å; L610-H616 WeakPolarHBondContact CD1-ND1 3.36Å; D612-H616 WeakPolarHBondContact O-CB 3.18Å; D612-H616 PolarHBondContact O-N 2.85Å; H614-H616 VanDerWaalsContact C-N 3.28Å; H614-H616 PolarHBondContact O-N 3.29Å; H616-S618 VanDerWaalsContact C-N 3.27Å; H616-S618 PolarHBondContact O-N 3.06Å; H616-S619 WeakPolarHBondContact O-CA 3.12Å; H616-S619 WeakPolarHBondContact O-CB 3.4Å; H616-S619 PolarHBondContact O-N 3.14Å; H616-V620 WeakPolarHBondContact O-CG2 3.42Å; H616-V620 PolarHBondContact O-N 2.76Å
617K90.3Very high86.5Confident72 Ų7250.4 Ų50.431%0.31326%0.259SS..Hα-helixtrans-59.9-38179.9-73-177.1-171.2-146.90112.4D607 P613 H614 S619 V620 T621 P652D607-K617 WeakPolarHBondContact OD2-CE 3.23Å; D607-K617 IonicContact OD2-NZ 3.72Å; D607-K617 PolarHBondContact OD2-NZ 3.01Å; P613-K617 WeakPolarHBondContact O-CB 3.47Å; P613-K617 VanDerWaalsContact O-CG 3.28Å; P613-K617 WeakPolarHBondContact O-CG 3.37Å; P613-K617 PolarHBondContact O-N 3.35Å; H614-K617 PolarHBondContact O-N 2.97Å; K617-S619 VanDerWaalsContact C-N 3.32Å; K617-S619 PolarHBondContact O-N 3.49Å; K617-V620 PolarHBondContact O-N 3.3Å; K617-T621 PolarHBondContact O-N 2.89Å; K617-T621 PolarHBondContact O-OG1 3.47Å; K617-P652 HydrophobicContact CB-CB 4.17Å; K617-P652 HydrophobicContact CB-CG 3.91Å
618S93.5Very high87.2Confident29 Ų2947 Ų4720%0.20324%0.24CC..Hα-helixtrans-63.8-37.4175.3-53.20000112.3H614 A615 H616 S622 P652H614-S618 WeakPolarHBondContact O-CB 3.34Å; H614-S618 PolarHBondContact O-N 3.23Å; H614-S618 PolarHBondContact O-OG 3.16Å; A615-S618 PolarHBondContact O-N 3.17Å; H616-S618 VanDerWaalsContact C-N 3.27Å; H616-S618 PolarHBondContact O-N 3.06Å; S618-S622 WeakPolarHBondContact O-CB 3.34Å; S618-S622 PolarHBondContact O-N 3.5Å; S618-S622 PolarHBondContact O-OG 3.19Å; S618-P652 WeakPolarHBondContact OG-CG 3.28Å
619S95Very high88.3Confident15 Ų1543.1 Ų43.111%0.10522%0.221CC..Hα-helixtrans-68.2-42.4173.8-55.30000111.4A615 H616 K617 S622 C623A615-S619 WeakPolarHBondContact O-CB 3.36Å; A615-S619 PolarHBondContact O-N 2.76Å; A615-S619 PolarHBondContact O-OG 3.28Å; H616-S619 WeakPolarHBondContact O-CA 3.12Å; H616-S619 WeakPolarHBondContact O-CB 3.4Å; H616-S619 PolarHBondContact O-N 3.14Å; K617-S619 VanDerWaalsContact C-N 3.32Å; K617-S619 PolarHBondContact O-N 3.49Å; S619-S622 CarbonylContact O-C 3.12Å; S619-S622 WeakPolarHBondContact O-CB 3.48Å; S619-S622 PolarHBondContact O-N 3Å; S619-C623 PolarHBondContact O-N 3.47Å; S619-C623 PolarHBondContact O-SG 2.92Å; S619-C623 VanDerWaalsContact O-SG 3.35Å
620V95.6Very high89.6Confident7 Ų737.4 Ų37.44%0.04219%0.191CC..Hα-helixtrans-61.3-48.7176.3167.40000111.7A576 H616 K617 S622 C623 L624 K650A576-V620 HydrophobicContact CB-CG2 4.09Å; H616-V620 WeakPolarHBondContact O-CG2 3.42Å; H616-V620 PolarHBondContact O-N 2.76Å; K617-V620 PolarHBondContact O-N 3.3Å; V620-S622 VanDerWaalsContact C-N 3.26Å; V620-S622 PolarHBondContact O-N 2.81Å; V620-C623 WeakPolarHBondContact O-CB 3.48Å; V620-C623 PolarHBondContact O-N 2.82Å; V620-C623 VanDerWaalsContact O-N 3.13Å; V620-L624 HydrophobicContact CG1-CD1 4.24Å; V620-L624 PolarHBondContact O-N 3.16Å; V620-K650 HydrophobicContact CG1-CD 4.03Å
621T96.2Very high90.8Very high0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-59.9-37173.7-58.40000111.6K617 L624 Y625 A647 M651 F655K617-T621 PolarHBondContact O-N 2.89Å; K617-T621 PolarHBondContact O-OG1 3.47Å; T621-L624 PolarHBondContact O-N 3.07Å; T621-Y625 WeakPolarHBondContact O-CB 3.41Å; T621-Y625 PolarHBondContact O-N 2.67Å; T621-A647 HydrophobicContact CG2-CB 4.28Å; T621-M651 HydrophobicContact CG2-CB 4.29Å; T621-M651 HydrophobicContact CG2-CG 4.2Å; T621-M651 WeakPolarHBondContact OG1-CA 3.43Å; T621-F655 HydrophobicContact CG2-CD1 3.98Å; T621-F655 HydrophobicContact CG2-CD2 4.05Å; T621-F655 HydrophobicContact CG2-CE1 3.7Å; T621-F655 HydrophobicContact CG2-CE2 3.78Å; T621-F655 HydrophobicContact CG2-CG 4.14Å; T621-F655 HydrophobicContact CG2-CZ 3.6Å
622S96.9Very high92.4Very high28 Ų2827.9 Ų27.920%0.19615%0.149CC..Hα-helixtrans-67.8-36.9174.5-55.90000112.9S618 S619 V620 Y625 N626S618-S622 WeakPolarHBondContact O-CB 3.34Å; S618-S622 PolarHBondContact O-N 3.5Å; S618-S622 PolarHBondContact O-OG 3.19Å; S619-S622 CarbonylContact O-C 3.12Å; S619-S622 WeakPolarHBondContact O-CB 3.48Å; S619-S622 PolarHBondContact O-N 3Å; V620-S622 VanDerWaalsContact C-N 3.26Å; V620-S622 PolarHBondContact O-N 2.81Å; S622-Y625 PolarHBondContact O-N 3.49Å; S622-N626 PolarHBondContact O-N 3.39Å; S622-N626 PolarHBondContact O-ND2 2.71Å
623C96.9Very high93.3Very high0 Ų028.8 Ų28.80%015%0.151CC..Hα-helixtrans-63.1-47.4174.3-72.50000110.8F599 C602 S619 V620 N626 L627F599-C623 HydrophobicContact CB-CB 4.43Å; F599-C623 HydrophobicContact CD1-CB 4.06Å; C602-C623 HydrophobicContact CB-CB 3.59Å; C602-C623 WeakPolarHBondContact CB-SG 3.31Å; C602-C623 WeakPolarHBondContact SG-CB 3.4Å; C602-C623 CovalentContact SG-SG 2.04Å; C602-C623 PolarHBondContact SG-SG 3.3Å; S619-C623 PolarHBondContact O-N 3.47Å; S619-C623 PolarHBondContact O-SG 2.92Å; S619-C623 VanDerWaalsContact O-SG 3.35Å; V620-C623 WeakPolarHBondContact O-CB 3.48Å; V620-C623 PolarHBondContact O-N 2.82Å; V620-C623 VanDerWaalsContact O-N 3.13Å; C623-N626 PolarHBondContact O-N 3.4Å; C623-L627 WeakPolarHBondContact O-CB 3.33Å; C623-L627 PolarHBondContact O-N 3.16Å
624L97.6Very high93.9Very high1 Ų132.1 Ų32.11%0.00516%0.163CC..Hα-helixtrans-63.8-41.2176.4-70.7164.3000112.1A603 V620 T621 N626 L627 G628 V643 E646 A647 K650A603-L624 HydrophobicContact CB-CD1 4.33Å; A603-L624 HydrophobicContact CB-CD2 3.62Å; A603-L624 HydrophobicContact CB-CG 3.88Å; V620-L624 HydrophobicContact CG1-CD1 4.24Å; V620-L624 PolarHBondContact O-N 3.16Å; T621-L624 PolarHBondContact O-N 3.07Å; L624-N626 PolarHBondContact O-N 3.3Å; L624-L627 PolarHBondContact O-N 3.44Å; L624-G628 PolarHBondContact O-N 3.3Å; L624-V643 HydrophobicContact CB-CG1 4.17Å; L624-V643 HydrophobicContact CD2-CG1 3.89Å; L624-V643 WeakPolarHBondContact O-CG1 3.29Å; L624-E646 HydrophobicContact CD1-CG 4.22Å; L624-A647 HydrophobicContact CB-CB 3.66Å; L624-A647 HydrophobicContact CD1-CB 4.39Å; L624-K650 HydrophobicContact CD1-CD 3.81Å
625Y97.3Very high94.5Very high47 Ų4729.1 Ų29.118%0.18416%0.162CC..Hα-helixtrans-57.2-48.7173167.8-98000112.4T621 S622 G628 K629 Y644 L660 M663T621-Y625 WeakPolarHBondContact O-CB 3.41Å; T621-Y625 PolarHBondContact O-N 2.67Å; S622-Y625 PolarHBondContact O-N 3.49Å; Y625-G628 PolarHBondContact O-N 2.85Å; Y625-K629 WeakPolarHBondContact O-CB 3.48Å; Y625-K629 PolarHBondContact O-N 3.07Å; Y625-Y644 HydrophobicContact CD2-CE1 4.44Å; Y625-L660 HydrophobicContact CD2-CB 3.96Å; Y625-L660 HydrophobicContact CD2-CD1 4.03Å; Y625-L660 HydrophobicContact CE2-CB 4.5Å; Y625-M663 HydrophobicContact CE2-CB 4.39Å; Y625-M663 HydrophobicContact CE2-CG 3.56Å
626N97.5Very high95Very high22 Ų2230.7 Ų30.712%0.11816%0.161CC..Hα-helixtrans-70-33.5179.4-74.4-75.5000112.6F599 S622 C623 L624 K629 L630F599-N626 HydrophobicContact CD1-CB 4.44Å; F599-N626 HydrophobicContact CD2-CB 4.39Å; F599-N626 HydrophobicContact CE1-CB 3.83Å; F599-N626 HydrophobicContact CE2-CB 3.79Å; F599-N626 HydrophobicContact CZ-CB 3.47Å; F599-N626 VanDerWaalsContact CZ-CB 3.47Å; S622-N626 PolarHBondContact O-N 3.39Å; S622-N626 PolarHBondContact O-ND2 2.71Å; C623-N626 PolarHBondContact O-N 3.4Å; L624-N626 PolarHBondContact O-N 3.3Å; N626-K629 PolarHBondContact O-N 2.82Å; N626-L630 WeakPolarHBondContact O-CB 3.45Å; N626-L630 PolarHBondContact O-N 2.6Å
627L97.1Very high95.4Very high3 Ų330.7 Ų30.72%0.01616%0.161CC..Hα-helixtrans-61.6-49.8171.2175.660.5000111.5K596 F599 L600 C623 L624 K629 L630 L631 V643K596-L627 HydrophobicContact CB-CD1 4.37Å; K596-L627 HydrophobicContact CG-CD1 3.8Å; F599-L627 HydrophobicContact CB-CB 3.85Å; F599-L627 HydrophobicContact CD2-CB 4.25Å; F599-L627 HydrophobicContact CG-CB 4.35Å; L600-L627 HydrophobicContact CD2-CD2 3.61Å; L600-L627 HydrophobicContact CG-CD2 3.91Å; C623-L627 WeakPolarHBondContact O-CB 3.33Å; C623-L627 PolarHBondContact O-N 3.16Å; L624-L627 PolarHBondContact O-N 3.44Å; L627-K629 VanDerWaalsContact C-N 3.27Å; L627-K629 PolarHBondContact O-N 2.92Å; L627-L630 PolarHBondContact O-N 3.48Å; L627-L631 HydrophobicContact CD1-CD1 4.26Å; L627-L631 HydrophobicContact CD1-CG 4.38Å; L627-L631 HydrophobicContact CG-CD1 4.16Å; L627-L631 VanDerWaalsContact O-CG 3.28Å; L627-L631 WeakPolarHBondContact O-CG 3.31Å; L627-L631 PolarHBondContact O-N 3.24Å; L627-V643 HydrophobicContact CB-CG1 4.08Å; L627-V643 HydrophobicContact CD2-CG1 3.9Å; L627-V643 HydrophobicContact CD2-CG2 4.1Å; L627-V643 HydrophobicContact CG-CG1 3.94Å; L627-V643 HydrophobicContact CG-CG2 4.33Å
628G96.9Very high95.7Very high0 Ų031.8 Ų31.80%017%0.168CC..Hα-helixtrans-60.4-37.1176.300000112.3L624 Y625 L631 H632 A640 Y644L624-G628 PolarHBondContact O-N 3.3Å; Y625-G628 PolarHBondContact O-N 2.85Å; G628-L631 PolarHBondContact O-N 2.86Å; G628-H632 WeakPolarHBondContact O-CB 3.39Å; G628-H632 PolarHBondContact O-N 3.38Å; G628-A640 WeakPolarHBondContact O-CB 3.34Å; G628-Y644 VanDerWaalsContact CA-CE1 3.49Å; G628-Y644 PolarHBondContact O-OH 2.93Å
629K96.3Very high95.8Very high62 Ų6235.1 Ų35.127%0.2718%0.18SC..Hα-helixtrans-62-49.2174.6-175-170.5164.4-170.10111.4Y625 N626 L627 L631 H632 E633 Y644Y625-K629 WeakPolarHBondContact O-CB 3.48Å; Y625-K629 PolarHBondContact O-N 3.07Å; N626-K629 PolarHBondContact O-N 2.82Å; L627-K629 VanDerWaalsContact C-N 3.27Å; L627-K629 PolarHBondContact O-N 2.92Å; K629-L631 VanDerWaalsContact C-N 3.31Å; K629-L631 PolarHBondContact O-N 3.5Å; K629-H632 WeakPolarHBondContact O-CB 3.43Å; K629-H632 PolarHBondContact O-N 3.27Å; K629-H632 VanDerWaalsContact O-N 3.16Å; K629-E633 WeakPolarHBondContact CE-OE1 3.29Å; K629-E633 IonicContact NZ-OE1 2.66Å; K629-E633 WeakPolarHBondContact O-CG 3.39Å; K629-E633 PolarHBondContact O-N 2.86Å; K629-Y644 WeakPolarHBondContact CA-OH 3.48Å; K629-Y644 PolarHBondContact N-OH 2.88Å
630L95.1Very high95.9Very high6 Ų634.4 Ų34.43%0.03118%0.175CC..Hα-helixtrans-57.4-44.3177.1-175.5156000111.2M587 L592 A595 N626 L627 E633 H634M587-L630 HydrophobicContact CG-CD1 4.18Å; M587-L630 HydrophobicContact SD-CB 4.25Å; M587-L630 HydrophobicContact SD-CD1 4.33Å; L592-L630 HydrophobicContact CB-CD1 4.43Å; L592-L630 HydrophobicContact CD2-CD1 3.81Å; L592-L630 HydrophobicContact CD2-CG 4.04Å; A595-L630 HydrophobicContact CB-CD1 4.05Å; N626-L630 WeakPolarHBondContact O-CB 3.45Å; N626-L630 PolarHBondContact O-N 2.6Å; L627-L630 PolarHBondContact O-N 3.48Å; L630-E633 PolarHBondContact O-N 2.85Å; L630-H634 PolarHBondContact O-N 3.39Å; L630-H634 PolarHBondContact O-ND1 2.88Å
631L95.6Very high96.1Very high3 Ų334.1 Ų34.12%0.01617%0.173CC..Hα-helixtrans-64.8-41176.3-63.3168000112.3K596 L627 G628 K629 H634 G635 Q636 E639 A640 V643K596-L631 HydrophobicContact CD-CD2 4.45Å; L627-L631 HydrophobicContact CD1-CD1 4.26Å; L627-L631 HydrophobicContact CD1-CG 4.38Å; L627-L631 HydrophobicContact CG-CD1 4.16Å; L627-L631 VanDerWaalsContact O-CG 3.28Å; L627-L631 WeakPolarHBondContact O-CG 3.31Å; L627-L631 PolarHBondContact O-N 3.24Å; G628-L631 PolarHBondContact O-N 2.86Å; K629-L631 VanDerWaalsContact C-N 3.31Å; K629-L631 PolarHBondContact O-N 3.5Å; L631-H634 CarbonylContact O-C 3.09Å; L631-H634 PolarHBondContact O-N 2.88Å; L631-G635 PolarHBondContact O-N 3.2Å; L631-Q636 HydrophobicContact CB-CB 4.29Å; L631-Q636 HydrophobicContact CD2-CB 4.49Å; L631-Q636 PolarHBondContact O-N 3.05Å; L631-E639 HydrophobicContact CD1-CB 4.12Å; L631-A640 HydrophobicContact CB-CB 3.92Å; L631-V643 HydrophobicContact CD1-CB 4.43Å; L631-V643 HydrophobicContact CD1-CG2 3.78Å
632H95.8Very high96.1Very high9 Ų941.7 Ų41.74%0.04220%0.203CC..Hα-helixtrans-60.7-45.5176.8174.486.8000112G628 K629 H634 G635 Q637 A640 R670G628-H632 WeakPolarHBondContact O-CB 3.39Å; G628-H632 PolarHBondContact O-N 3.38Å; K629-H632 WeakPolarHBondContact O-CB 3.43Å; K629-H632 PolarHBondContact O-N 3.27Å; K629-H632 VanDerWaalsContact O-N 3.16Å; H632-H634 VanDerWaalsContact C-N 3.27Å; H632-H634 PolarHBondContact O-N 2.99Å; H632-G635 PolarHBondContact O-N 2.69Å; H632-G635 VanDerWaalsContact O-N 3.1Å; H632-Q637 PolarHBondContact CE1-OE1 3.49Å; H632-Q637 PolarHBondContact ND1-OE1 2.84Å; H632-Q637 PolarHBondContact O-NE2 2.93Å; H632-A640 HydrophobicContact CB-CB 4.15Å; H632-R670 VanDerWaalsContact CE1-CD 3.4Å; H632-R670 WeakPolarHBondContact CE1-CD 3.14Å; H632-R670 PolarHBondContact CE1-NE 3.38Å; H632-R670 PolarHBondContact NE2-NE 3.16Å; H632-R670 PolarHBondContact NE2-NH2 2.94Å
633E91.9Very high96.2Very high102 Ų10240.9 Ų40.948%0.47720%0.197SC..Hα-helixtrans-63.6-33.1177.8-71.6173.9164.500111.8K629 L630 G635K629-E633 WeakPolarHBondContact CE-OE1 3.29Å; K629-E633 IonicContact NZ-OE1 2.66Å; K629-E633 WeakPolarHBondContact O-CG 3.39Å; K629-E633 PolarHBondContact O-N 2.86Å; L630-E633 PolarHBondContact O-N 2.85Å; E633-G635 VanDerWaalsContact C-N 3.26Å; E633-G635 PolarHBondContact O-N 3.08Å
634H91.6Very high96.2Very high99 Ų9940.9 Ų40.946%0.45820%0.197SC..THydrogen-bonded Turntrans-81.35.8174.4-73.676.5000114.7L592 L630 L631 H632 Q636L592-H634 WeakPolarHBondContact CD1-NE2 3.45Å; L630-H634 PolarHBondContact O-N 3.39Å; L630-H634 PolarHBondContact O-ND1 2.88Å; L631-H634 CarbonylContact O-C 3.09Å; L631-H634 PolarHBondContact O-N 2.88Å; H632-H634 VanDerWaalsContact C-N 3.27Å; H632-H634 PolarHBondContact O-N 2.99Å; H634-Q636 VanDerWaalsContact C-N 3.29Å; H634-Q636 PolarHBondContact O-N 3.29Å
635G93.4Very high96.2Very high46 Ų4646.5 Ų46.547%0.47422%0.218SC..THydrogen-bonded Turntrans82.2-317900000115L631 H632 E633 Q637L631-G635 PolarHBondContact O-N 3.2Å; H632-G635 PolarHBondContact O-N 2.69Å; H632-G635 VanDerWaalsContact O-N 3.1Å; E633-G635 VanDerWaalsContact C-N 3.26Å; E633-G635 PolarHBondContact O-N 3.08Å; G635-Q637 VanDerWaalsContact C-N 3.26Å; G635-Q637 VanDerWaalsContact CA-NE2 3.35Å; G635-Q637 PolarHBondContact O-N 3.17Å; G635-Q637 PolarHBondContact O-NE2 2.89Å
636Q96.1Very high96.2Very high80 Ų8046.1 Ų46.137%0.37422%0.218SC..  trans-81.463.7-175.5-65.7176.5-21.400111.6L631 H634 E638 E639 A640L631-Q636 HydrophobicContact CB-CB 4.29Å; L631-Q636 HydrophobicContact CD2-CB 4.49Å; L631-Q636 PolarHBondContact O-N 3.05Å; H634-Q636 VanDerWaalsContact C-N 3.29Å; H634-Q636 PolarHBondContact O-N 3.29Å; Q636-E638 PolarHBondContact O-N 2.9Å; Q636-E639 HydrophobicContact CB-CB 4.34Å; Q636-E639 PolarHBondContact O-N 3.46Å; Q636-A640 WeakPolarHBondContact O-CB 3.33Å; Q636-A640 PolarHBondContact O-N 3.33Å
637Q96.4Very high96.1Very high14 Ų1445 Ų457%0.06521%0.212CC..Hα-helixtrans-65.2-41-166.8-54.8-49.4-4400115H632 G635 A640 L641 R670 L671H632-Q637 PolarHBondContact CE1-OE1 3.49Å; H632-Q637 PolarHBondContact ND1-OE1 2.84Å; H632-Q637 PolarHBondContact O-NE2 2.93Å; G635-Q637 VanDerWaalsContact C-N 3.26Å; G635-Q637 VanDerWaalsContact CA-NE2 3.35Å; G635-Q637 PolarHBondContact O-N 3.17Å; G635-Q637 PolarHBondContact O-NE2 2.89Å; Q637-A640 PolarHBondContact O-N 3.45Å; Q637-L641 WeakPolarHBondContact O-CB 3.48Å; Q637-L641 WeakPolarHBondContact O-CG 3.37Å; Q637-L641 PolarHBondContact O-N 3.01Å; Q637-R670 HydrophobicContact CG-CB 3.93Å; Q637-R670 VanDerWaalsContact NE2-CD 3.34Å; Q637-L671 HydrophobicContact CB-CD1 3.8Å; Q637-L671 HydrophobicContact CB-CD2 3.89Å; Q637-L671 HydrophobicContact CB-CG 3.64Å; Q637-L671 HydrophobicContact CG-CD2 4.43Å; Q637-L671 HydrophobicContact CG-CG 4.25Å
638E96.6Very high96.1Very high95 Ų9547 Ų4744%0.44422%0.224SC..Hα-helixtrans-67.8-38.6178.2-70.2-76.5-167.800111.4Q636 L641 Y642 L671 R673Q636-E638 PolarHBondContact O-N 2.9Å; E638-L641 PolarHBondContact O-N 3.38Å; E638-Y642 PolarHBondContact O-N 3.09Å; E638-L671 HydrophobicContact CG-CD1 4.15Å; E638-L671 HydrophobicContact CG-CD2 4.47Å; E638-R673 IonicContact OE1-CZ 3.7Å; E638-R673 IonicContact OE1-NH1 3.95Å; E638-R673 PolarHBondContact OE1-NH1 3.42Å; E638-R673 IonicContact OE1-NH2 2.87Å; E638-R673 PolarHBondContact OE1-NH2 3.48Å; E638-R673 IonicContact OE2-NH1 2.71Å; E638-R673 PolarHBondContact OE2-NH1 3.3Å
639E96.3Very high95.9Very high99 Ų9954.7 Ų54.746%0.46326%0.26SS..Hα-helixtrans-65.5-43.4173.1-66.9-174.6-155.700111.3K596 L631 Q636 L641 Y642 V643K596-E639 IonicContact NZ-OE2 3.18Å; L631-E639 HydrophobicContact CD1-CB 4.12Å; Q636-E639 HydrophobicContact CB-CB 4.34Å; Q636-E639 PolarHBondContact O-N 3.46Å; E639-L641 VanDerWaalsContact C-N 3.33Å; E639-L641 PolarHBondContact O-N 3.27Å; E639-Y642 WeakPolarHBondContact O-CB 3.45Å; E639-Y642 PolarHBondContact O-N 2.7Å; E639-V643 WeakPolarHBondContact O-CG2 3.47Å; E639-V643 PolarHBondContact O-N 3.2Å
640A97.8Very high95.7Very high0 Ų055.5 Ų55.50%026%0.264CS..Hα-helixtrans-57.8-45.217500000111.5G628 L631 H632 Q636 Q637 V643 Y644G628-A640 WeakPolarHBondContact O-CB 3.34Å; L631-A640 HydrophobicContact CB-CB 3.92Å; H632-A640 HydrophobicContact CB-CB 4.15Å; Q636-A640 WeakPolarHBondContact O-CB 3.33Å; Q636-A640 PolarHBondContact O-N 3.33Å; Q637-A640 PolarHBondContact O-N 3.45Å; A640-V643 PolarHBondContact O-N 3.28Å; A640-Y644 HydrophobicContact CB-CE2 4.1Å; A640-Y644 WeakPolarHBondContact O-CB 3.36Å; A640-Y644 WeakPolarHBondContact O-CD2 3.35Å; A640-Y644 PolarHBondContact O-N 2.88Å
641L98Very high95.6Very high0 Ų057.8 Ų57.80%027%0.274CS..Hα-helixtrans-65.1-36.2176.4-75.4176.6000113.2Q637 E638 E639 Y644 R645 M664 A667 Y668 L671Q637-L641 WeakPolarHBondContact O-CB 3.48Å; Q637-L641 WeakPolarHBondContact O-CG 3.37Å; Q637-L641 PolarHBondContact O-N 3.01Å; E638-L641 PolarHBondContact O-N 3.38Å; E639-L641 VanDerWaalsContact C-N 3.33Å; E639-L641 PolarHBondContact O-N 3.27Å; L641-Y644 HydrophobicContact CD2-CD2 4.49Å; L641-R645 WeakPolarHBondContact O-CD 3.49Å; L641-R645 VanDerWaalsContact O-CG 3.23Å; L641-R645 WeakPolarHBondContact O-CG 3.28Å; L641-R645 PolarHBondContact O-N 3.16Å; L641-M664 HydrophobicContact CD2-CB 4.37Å; L641-A667 HydrophobicContact CD2-CB 3.78Å; L641-A667 HydrophobicContact CG-CB 3.85Å; L641-Y668 HydrophobicContact CD1-CD1 3.91Å; L641-Y668 HydrophobicContact CD1-CD2 4.15Å; L641-Y668 HydrophobicContact CD1-CE1 3.87Å; L641-Y668 HydrophobicContact CD1-CE2 4.05Å; L641-Y668 HydrophobicContact CD1-CG 4.08Å; L641-Y668 HydrophobicContact CD2-CD2 3.53Å; L641-Y668 HydrophobicContact CD2-CE2 3.43Å; L641-Y668 VanDerWaalsContact CD2-CE2 3.43Å; L641-Y668 HydrophobicContact CD2-CG 4.2Å; L641-Y668 HydrophobicContact CG-CE2 4.39Å; L641-L671 HydrophobicContact CD1-CD1 3.66Å
642Y97.6Very high95.4Very high159 Ų15958.2 Ų58.262%0.62428%0.277SS*.Hα-helixtrans-60.4-52172.2177.2-89.7000110.9E638 E639 Y644 R645 E646E638-Y642 PolarHBondContact O-N 3.09Å; E639-Y642 WeakPolarHBondContact O-CB 3.45Å; E639-Y642 PolarHBondContact O-N 2.7Å; Y642-Y644 PolarHBondContact O-N 2.88Å; Y642-R645 WeakPolarHBondContact O-CB 3.41Å; Y642-R645 PolarHBondContact O-N 2.92Å; Y642-E646 PolarHBondContact O-N 2.97Å; Y642-E646 VanDerWaalsContact O-N 3.08Å
643V97.6Very high95Very high12 Ų1268.1 Ų68.17%0.07332%0.321CS..Hα-helixtrans-62.8-40.3179.8173.70000111.7L624 L627 L631 E639 A640 R645 E646 A647L624-V643 HydrophobicContact CB-CG1 4.17Å; L624-V643 HydrophobicContact CD2-CG1 3.89Å; L624-V643 WeakPolarHBondContact O-CG1 3.29Å; L627-V643 HydrophobicContact CB-CG1 4.08Å; L627-V643 HydrophobicContact CD2-CG1 3.9Å; L627-V643 HydrophobicContact CD2-CG2 4.1Å; L627-V643 HydrophobicContact CG-CG1 3.94Å; L627-V643 HydrophobicContact CG-CG2 4.33Å; L631-V643 HydrophobicContact CD1-CB 4.43Å; L631-V643 HydrophobicContact CD1-CG2 3.78Å; E639-V643 WeakPolarHBondContact O-CG2 3.47Å; E639-V643 PolarHBondContact O-N 3.2Å; A640-V643 PolarHBondContact O-N 3.28Å; V643-R645 PolarHBondContact O-N 2.87Å; V643-E646 WeakPolarHBondContact O-CB 3.4Å; V643-E646 PolarHBondContact O-N 3.14Å; V643-A647 PolarHBondContact O-N 2.99Å
644Y98.2Very high94.7Very high0 Ų068.5 Ų68.50%032%0.322CS..Hα-helixtrans-65.1-37.6176-66.5-38.7000112.7Y625 G628 K629 A640 L641 Y642 E646 A647 V648 L660 M663 M664 A667Y625-Y644 HydrophobicContact CD2-CE1 4.44Å; G628-Y644 VanDerWaalsContact CA-CE1 3.49Å; G628-Y644 PolarHBondContact O-OH 2.93Å; K629-Y644 WeakPolarHBondContact CA-OH 3.48Å; K629-Y644 PolarHBondContact N-OH 2.88Å; A640-Y644 HydrophobicContact CB-CE2 4.1Å; A640-Y644 WeakPolarHBondContact O-CB 3.36Å; A640-Y644 WeakPolarHBondContact O-CD2 3.35Å; A640-Y644 PolarHBondContact O-N 2.88Å; L641-Y644 HydrophobicContact CD2-CD2 4.49Å; Y642-Y644 PolarHBondContact O-N 2.88Å; Y644-E646 VanDerWaalsContact C-N 3.33Å; Y644-A647 WeakPolarHBondContact O-CB 3.49Å; Y644-A647 PolarHBondContact O-N 3.1Å; Y644-V648 WeakPolarHBondContact O-CG2 3.45Å; Y644-V648 PolarHBondContact O-N 2.95Å; Y644-L660 HydrophobicContact CD1-CD1 3.36Å; Y644-L660 HydrophobicContact CE1-CD1 4.15Å; Y644-L660 HydrophobicContact CG-CD1 3.86Å; Y644-M663 HydrophobicContact CE1-CB 4.12Å; Y644-M663 HydrophobicContact CE2-CB 3.89Å; Y644-M663 WeakPolarHBondContact OH-CB 3.48Å; Y644-M664 VanDerWaalsContact CB-CG 3.44Å; Y644-M664 HydrophobicContact CD2-CB 4.48Å; Y644-M664 HydrophobicContact CD2-CG 3.69Å; Y644-M664 HydrophobicContact CG-CG 3.77Å; Y644-A667 HydrophobicContact CE2-CB 4.38Å
645R97.7Very high94.7Very high118 Ų11865.6 Ų65.645%0.44531%0.308SS..Hα-helixtrans-63.5-40.2173.7-73166.6179.9-1762.7111.5L641 Y642 V643 V648 Q649 M664 Y668L641-R645 WeakPolarHBondContact O-CD 3.49Å; L641-R645 VanDerWaalsContact O-CG 3.23Å; L641-R645 WeakPolarHBondContact O-CG 3.28Å; L641-R645 PolarHBondContact O-N 3.16Å; Y642-R645 WeakPolarHBondContact O-CB 3.41Å; Y642-R645 PolarHBondContact O-N 2.92Å; V643-R645 PolarHBondContact O-N 2.87Å; R645-V648 PolarHBondContact O-N 2.99Å; R645-Q649 WeakPolarHBondContact O-CG 3.37Å; R645-Q649 PolarHBondContact O-N 3.49Å; R645-M664 HydrophobicContact CG-CE 4Å; R645-Y668 PolarHBondContact NH2-OH 3.02Å
646E96.1Very high94.7Very high39 Ų3966.2 Ų66.218%0.18231%0.309CS..Hα-helixtrans-62.8-42173.3-163.5-163.3145.200111.6L624 Y642 V643 Y644 V648 Q649 K650L624-E646 HydrophobicContact CD1-CG 4.22Å; Y642-E646 PolarHBondContact O-N 2.97Å; Y642-E646 VanDerWaalsContact O-N 3.08Å; V643-E646 WeakPolarHBondContact O-CB 3.4Å; V643-E646 PolarHBondContact O-N 3.14Å; Y644-E646 VanDerWaalsContact C-N 3.33Å; E646-V648 VanDerWaalsContact C-N 3.32Å; E646-V648 PolarHBondContact O-N 3.28Å; E646-Q649 PolarHBondContact O-N 3.35Å; E646-Q649 VanDerWaalsContact O-N 3.1Å; E646-K650 HydrophobicContact CG-CD 4.3Å; E646-K650 PolarHBondContact O-N 2.95Å; E646-K650 VanDerWaalsContact OE1-CE 3.26Å; E646-K650 WeakPolarHBondContact OE1-CE 3.41Å; E646-K650 IonicContact OE1-NZ 2.66Å; E646-K650 PolarHBondContact OE1-NZ 2.95Å
647A96.8Very high94.7Very high0 Ų063.4 Ų63.40%030%0.298CS..Hα-helixtrans-56.7-45.317500000111.5T621 L624 V643 Y644 K650 M651 L660T621-A647 HydrophobicContact CG2-CB 4.28Å; L624-A647 HydrophobicContact CB-CB 3.66Å; L624-A647 HydrophobicContact CD1-CB 4.39Å; V643-A647 PolarHBondContact O-N 2.99Å; Y644-A647 WeakPolarHBondContact O-CB 3.49Å; Y644-A647 PolarHBondContact O-N 3.1Å; A647-K650 PolarHBondContact O-N 3.32Å; A647-M651 WeakPolarHBondContact O-CB 3.48Å; A647-M651 PolarHBondContact O-N 3.43Å; A647-M651 VanDerWaalsContact O-N 3.09Å; A647-L660 HydrophobicContact CB-CD1 4.03Å; A647-L660 HydrophobicContact CB-CD2 3.82Å
648V96.2Very high94.7Very high44 Ų4464.3 Ų64.327%0.26730%0.302SS..Hα-helixtrans-63.2-38.1175.6174.90000112Y644 R645 E646 M651 L660 F661 M664Y644-V648 WeakPolarHBondContact O-CG2 3.45Å; Y644-V648 PolarHBondContact O-N 2.95Å; R645-V648 PolarHBondContact O-N 2.99Å; E646-V648 VanDerWaalsContact C-N 3.32Å; E646-V648 PolarHBondContact O-N 3.28Å; V648-M651 HydrophobicContact CG1-CE 4.47Å; V648-M651 VanDerWaalsContact O-CB 3.31Å; V648-M651 WeakPolarHBondContact O-CB 3.49Å; V648-L660 HydrophobicContact CG2-CD2 3.7Å; V648-L660 HydrophobicContact CG2-CG 4.27Å; V648-F661 HydrophobicContact CG2-CD1 4.44Å; V648-F661 HydrophobicContact CG2-CE1 3.89Å; V648-M664 HydrophobicContact CG2-SD 4.06Å
649Q93.8Very high94.8Very high162 Ų16261.6 Ų61.676%0.75729%0.294SS*.Hα-helixtrans-68.8-40.1177.7-71.7173.25.400113.1R645 E646 M651R645-Q649 WeakPolarHBondContact O-CG 3.37Å; R645-Q649 PolarHBondContact O-N 3.49Å; E646-Q649 PolarHBondContact O-N 3.35Å; E646-Q649 VanDerWaalsContact O-N 3.1Å; Q649-M651 VanDerWaalsContact C-N 3.31Å
650K91.1Very high94.8Very high79 Ų7957 Ų5734%0.34327%0.272SS..Hα-helixtrans-81.6-7.6179.1-73.8176.4171.2174.70113.6A603 V620 L624 E646 A647A603-K650 PolarHBondContact O-NZ 3.4Å; V620-K650 HydrophobicContact CG1-CD 4.03Å; L624-K650 HydrophobicContact CD1-CD 3.81Å; E646-K650 HydrophobicContact CG-CD 4.3Å; E646-K650 PolarHBondContact O-N 2.95Å; E646-K650 VanDerWaalsContact OE1-CE 3.26Å; E646-K650 WeakPolarHBondContact OE1-CE 3.41Å; E646-K650 IonicContact OE1-NZ 2.66Å; E646-K650 PolarHBondContact OE1-NZ 2.95Å; A647-K650 PolarHBondContact O-N 3.32Å
651M93.3Very high94.9Very high53 Ų5358.1 Ų58.126%0.26128%0.277SS..  trans-63.1124.7-172.5-168.3165.764.600114.1T621 A647 V648 Q649 F655 P657 L660T621-M651 HydrophobicContact CG2-CB 4.29Å; T621-M651 HydrophobicContact CG2-CG 4.2Å; T621-M651 WeakPolarHBondContact OG1-CA 3.43Å; A647-M651 WeakPolarHBondContact O-CB 3.48Å; A647-M651 PolarHBondContact O-N 3.43Å; A647-M651 VanDerWaalsContact O-N 3.09Å; V648-M651 HydrophobicContact CG1-CE 4.47Å; V648-M651 VanDerWaalsContact O-CB 3.31Å; V648-M651 WeakPolarHBondContact O-CB 3.49Å; Q649-M651 VanDerWaalsContact C-N 3.31Å; M651-F655 HydrophobicContact CG-CB 3.67Å; M651-F655 HydrophobicContact CG-CD1 3.77Å; M651-F655 HydrophobicContact CG-CG 3.93Å; M651-F655 HydrophobicContact SD-CB 4.37Å; M651-F655 HydrophobicContact SD-CD1 3.56Å; M651-F655 VanDerWaalsContact SD-CD1 3.56Å; M651-F655 HydrophobicContact SD-CE1 4.29Å; M651-F655 HydrophobicContact SD-CG 4.31Å; M651-P657 HydrophobicContact CE-CB 4.04Å; M651-P657 HydrophobicContact SD-CB 3.7Å; M651-L660 HydrophobicContact SD-CD2 4.49Å
652P90.3Very high94.9Very high12 Ų1258.3 Ų58.38%0.07828%0.278CS..  trans-77150.6171.232.4-32.5000110.9K617 S618 Q654 F655K617-P652 HydrophobicContact CB-CB 4.17Å; K617-P652 HydrophobicContact CB-CG 3.91Å; S618-P652 WeakPolarHBondContact OG-CG 3.28Å; P652-Q654 PolarHBondContact O-N 3.29Å; P652-F655 HydrophobicContact CG-CB 4.05Å; P652-F655 VanDerWaalsContact O-CB 3.27Å; P652-F655 WeakPolarHBondContact O-CB 3.43Å; P652-F655 PolarHBondContact O-N 2.9Å
653K87.6Confident94.9Very high218 Ų21852 Ų5295%0.94825%0.254SS*.THydrogen-bonded Turntrans-55.2-29.3-171.7-69.9-174176.3-176.90115.3
654Q85.4Confident94.9Very high110 Ų11051.4 Ų51.451%0.51425%0.251SS..THydrogen-bonded Turntrans-87.4-6.2-179.365.5-91.340.600114.3H614 P652H614-Q654 VanDerWaalsContact CB-NE2 3.3Å; H614-Q654 PolarHBondContact ND1-NE2 3.44Å; H614-Q654 VanDerWaalsContact ND1-NE2 3.17Å; P652-Q654 PolarHBondContact O-N 3.29Å
655F92.1Very high94.9Very high38 Ų3851.4 Ų51.417%0.16725%0.251CS..SBendtrans-69137.9175.2-174.7-87.3000109.7T621 M651 P652 P657T621-F655 HydrophobicContact CG2-CD1 3.98Å; T621-F655 HydrophobicContact CG2-CD2 4.05Å; T621-F655 HydrophobicContact CG2-CE1 3.7Å; T621-F655 HydrophobicContact CG2-CE2 3.78Å; T621-F655 HydrophobicContact CG2-CG 4.14Å; T621-F655 HydrophobicContact CG2-CZ 3.6Å; M651-F655 HydrophobicContact CG-CB 3.67Å; M651-F655 HydrophobicContact CG-CD1 3.77Å; M651-F655 HydrophobicContact CG-CG 3.93Å; M651-F655 HydrophobicContact SD-CB 4.37Å; M651-F655 HydrophobicContact SD-CD1 3.56Å; M651-F655 VanDerWaalsContact SD-CD1 3.56Å; M651-F655 HydrophobicContact SD-CE1 4.29Å; M651-F655 HydrophobicContact SD-CG 4.31Å; P652-F655 HydrophobicContact CG-CB 4.05Å; P652-F655 VanDerWaalsContact O-CB 3.27Å; P652-F655 WeakPolarHBondContact O-CB 3.43Å; P652-F655 PolarHBondContact O-N 2.9Å; F655-P657 VanDerWaalsContact O-CD 3.28Å; F655-P657 WeakPolarHBondContact O-CD 3.29Å
656A94Very high94.9Very high58 Ų5848.2 Ų48.248%0.47924%0.241SC..  trans-89.1106.7-179.600000110.4H658A656-H658 PolarHBondContact O-N 3.32Å
657P96.4Very high95Very high22 Ų2246.4 Ų46.414%0.14323%0.232CC..  trans-87.3-4.2-164.536.3-38.5000114.4M651 F655 S659 L660 F661 A687M651-P657 HydrophobicContact CE-CB 4.04Å; M651-P657 HydrophobicContact SD-CB 3.7Å; F655-P657 VanDerWaalsContact O-CD 3.28Å; F655-P657 WeakPolarHBondContact O-CD 3.29Å; P657-S659 VanDerWaalsContact C-N 3.34Å; P657-S659 PolarHBondContact O-N 2.98Å; P657-L660 WeakPolarHBondContact O-CB 3.39Å; P657-L660 PolarHBondContact O-N 3.17Å; P657-F661 HydrophobicContact CB-CD1 4.28Å; P657-F661 HydrophobicContact CB-CD2 3.96Å; P657-F661 HydrophobicContact CB-CE1 3.9Å; P657-F661 HydrophobicContact CB-CE2 3.57Å; P657-F661 HydrophobicContact CB-CG 4.31Å; P657-F661 HydrophobicContact CB-CZ 3.55Å; P657-F661 HydrophobicContact CG-CD2 4.02Å; P657-F661 HydrophobicContact CG-CE2 3.48Å; P657-F661 VanDerWaalsContact CG-CE2 3.48Å; P657-F661 HydrophobicContact CG-CZ 3.85Å; P657-F661 WeakPolarHBondContact O-CG 3.29Å; P657-F661 PolarHBondContact O-N 3.43Å; P657-A687 HydrophobicContact CG-CB 3.7Å
658H97Very high95Very high32 Ų3247 Ų4715%0.14824%0.235CC..Hα-helixtrans-56.7-42.1-167.753-92.9000113.3A656 N662 S684 A687 K688 H691A656-H658 PolarHBondContact O-N 3.32Å; H658-N662 WeakPolarHBondContact O-CB 3.3Å; H658-N662 PolarHBondContact O-N 3.04Å; H658-S684 PolarHBondContact O-OG 3.15Å; H658-A687 HydrophobicContact CB-CB 4.37Å; H658-K688 HydrophobicContact CB-CB 3.67Å; H658-H691 HydrophobicContact CB-CB 4.46Å; H658-H691 AromaticContact CD2-CD2 3.52Å; H658-H691 AromaticContact CD2-CE1 3.97Å; H658-H691 AromaticContact CD2-CG 3.79Å; H658-H691 AromaticContact CD2-NE2 3.67Å
659S97.3Very high95.1Very high39 Ų3946.5 Ų46.527%0.27323%0.23SC..Hα-helixtrans-67.2-41.5176.6-51.20000112.3P657 N662 M663P657-S659 VanDerWaalsContact C-N 3.34Å; P657-S659 PolarHBondContact O-N 2.98Å; S659-N662 PolarHBondContact O-N 3.34Å; S659-M663 WeakPolarHBondContact O-CG 3.25Å; S659-M663 PolarHBondContact O-N 3Å
660L97.7Very high95.2Very high1 Ų146.1 Ų46.11%0.00522%0.221CC..Hα-helixtrans-61.3-48.3176.3173.261.4000111.2Y625 Y644 A647 V648 M651 P657 N662 M663 M664Y625-L660 HydrophobicContact CD2-CB 3.96Å; Y625-L660 HydrophobicContact CD2-CD1 4.03Å; Y625-L660 HydrophobicContact CE2-CB 4.5Å; Y644-L660 HydrophobicContact CD1-CD1 3.36Å; Y644-L660 HydrophobicContact CE1-CD1 4.15Å; Y644-L660 HydrophobicContact CG-CD1 3.86Å; A647-L660 HydrophobicContact CB-CD1 4.03Å; A647-L660 HydrophobicContact CB-CD2 3.82Å; V648-L660 HydrophobicContact CG2-CD2 3.7Å; V648-L660 HydrophobicContact CG2-CG 4.27Å; M651-L660 HydrophobicContact SD-CD2 4.49Å; P657-L660 WeakPolarHBondContact O-CB 3.39Å; P657-L660 PolarHBondContact O-N 3.17Å; L660-N662 VanDerWaalsContact C-N 3.33Å; L660-N662 PolarHBondContact O-N 3.22Å; L660-M663 PolarHBondContact O-N 3.3Å; L660-M664 WeakPolarHBondContact O-CG 3.29Å; L660-M664 PolarHBondContact O-N 3.4Å
661F98.3Very high95.4Very high24 Ų2445 Ų4511%0.10522%0.219CC..Hα-helixtrans-62.5-38.2176.3-63.7-17.8000112.3V648 P657 M664 G665 W680 E683 A687V648-F661 HydrophobicContact CG2-CD1 4.44Å; V648-F661 HydrophobicContact CG2-CE1 3.89Å; P657-F661 HydrophobicContact CB-CD1 4.28Å; P657-F661 HydrophobicContact CB-CD2 3.96Å; P657-F661 HydrophobicContact CB-CE1 3.9Å; P657-F661 HydrophobicContact CB-CE2 3.57Å; P657-F661 HydrophobicContact CB-CG 4.31Å; P657-F661 HydrophobicContact CB-CZ 3.55Å; P657-F661 HydrophobicContact CG-CD2 4.02Å; P657-F661 HydrophobicContact CG-CE2 3.48Å; P657-F661 VanDerWaalsContact CG-CE2 3.48Å; P657-F661 HydrophobicContact CG-CZ 3.85Å; P657-F661 WeakPolarHBondContact O-CG 3.29Å; P657-F661 PolarHBondContact O-N 3.43Å; F661-M664 HydrophobicContact CD1-SD 4.47Å; F661-M664 PolarHBondContact O-N 2.82Å; F661-G665 PolarHBondContact O-N 3.24Å; F661-W680 HydrophobicContact CB-CE3 4.16Å; F661-W680 AromaticContact CD1-CE3 3.68Å; F661-W680 HydrophobicContact CD1-CE3 3.68Å; F661-W680 AromaticContact CD1-CZ3 3.5Å; F661-W680 HydrophobicContact CD1-CZ3 3.5Å; F661-W680 HydrophobicContact CE1-CE3 4.23Å; F661-W680 AromaticContact CE1-CZ3 3.58Å; F661-W680 HydrophobicContact CE1-CZ3 3.58Å; F661-W680 AromaticContact CG-CE3 3.97Å; F661-W680 HydrophobicContact CG-CE3 3.97Å; F661-W680 HydrophobicContact CG-CZ3 4.16Å; F661-W680 HydrophobicContact CZ-CZ3 4.28Å; F661-W680 WeakPolarHBondContact O-CB 3.37Å; F661-E683 HydrophobicContact CD2-CB 3.85Å; F661-E683 HydrophobicContact CE2-CB 4.16Å; F661-E683 HydrophobicContact CG-CB 4.42Å; F661-A687 HydrophobicContact CD2-CB 4.43Å; F661-A687 HydrophobicContact CE2-CB 4.4Å
662N98.2Very high95.5Very high4 Ų448.4 Ų48.42%0.02124%0.238CC..Hα-helixtrans-63.5-45.5175.2-173.366.8000112.1H658 S659 L660 M664 G665 E666 Y681 A694 T697H658-N662 WeakPolarHBondContact O-CB 3.3Å; H658-N662 PolarHBondContact O-N 3.04Å; S659-N662 PolarHBondContact O-N 3.34Å; L660-N662 VanDerWaalsContact C-N 3.33Å; L660-N662 PolarHBondContact O-N 3.22Å; N662-M664 VanDerWaalsContact C-N 3.32Å; N662-M664 PolarHBondContact O-N 3.18Å; N662-G665 WeakPolarHBondContact O-CA 3.44Å; N662-G665 PolarHBondContact O-N 3.39Å; N662-G665 VanDerWaalsContact O-N 3.11Å; N662-E666 PolarHBondContact O-N 3.36Å; N662-Y681 WeakPolarHBondContact OD1-CD1 3.36Å; N662-A694 WeakPolarHBondContact OD1-CA 3.32Å; N662-T697 PolarHBondContact OD1-OG1 3.05Å
663M98Very high95.9Very high26 Ų2652 Ų5213%0.12825%0.25CS..Hα-helixtrans-65.1-33.8177.3-63.8-65.995.400112.8Y625 Y644 S659 L660 G665 E666 A667Y625-M663 HydrophobicContact CE2-CB 4.39Å; Y625-M663 HydrophobicContact CE2-CG 3.56Å; Y644-M663 HydrophobicContact CE1-CB 4.12Å; Y644-M663 HydrophobicContact CE2-CB 3.89Å; Y644-M663 WeakPolarHBondContact OH-CB 3.48Å; S659-M663 WeakPolarHBondContact O-CG 3.25Å; S659-M663 PolarHBondContact O-N 3Å; L660-M663 PolarHBondContact O-N 3.3Å; M663-G665 VanDerWaalsContact C-N 3.35Å; M663-E666 WeakPolarHBondContact CE-OE2 3.37Å; M663-E666 PolarHBondContact O-N 3.06Å; M663-A667 PolarHBondContact O-N 2.81Å
664M98.3Very high96.3Very high1 Ų144 Ų441%0.00522%0.218CC..Hα-helixtrans-60.5-46.6169.9-70.5-179.579.100110.8L641 Y644 R645 V648 L660 F661 N662 E666 A667 Y668 W680L641-M664 HydrophobicContact CD2-CB 4.37Å; Y644-M664 VanDerWaalsContact CB-CG 3.44Å; Y644-M664 HydrophobicContact CD2-CB 4.48Å; Y644-M664 HydrophobicContact CD2-CG 3.69Å; Y644-M664 HydrophobicContact CG-CG 3.77Å; R645-M664 HydrophobicContact CG-CE 4Å; V648-M664 HydrophobicContact CG2-SD 4.06Å; L660-M664 WeakPolarHBondContact O-CG 3.29Å; L660-M664 PolarHBondContact O-N 3.4Å; F661-M664 HydrophobicContact CD1-SD 4.47Å; F661-M664 PolarHBondContact O-N 2.82Å; N662-M664 VanDerWaalsContact C-N 3.32Å; N662-M664 PolarHBondContact O-N 3.18Å; M664-E666 VanDerWaalsContact C-N 3.34Å; M664-E666 PolarHBondContact O-N 3.39Å; M664-A667 PolarHBondContact O-N 3.32Å; M664-Y668 VanDerWaalsContact O-CD2 3.22Å; M664-Y668 WeakPolarHBondContact O-CD2 3.47Å; M664-Y668 PolarHBondContact O-N 2.95Å; M664-W680 HydrophobicContact CB-CB 4.31Å; M664-W680 HydrophobicContact CB-CD2 4.16Å; M664-W680 HydrophobicContact CB-CG 3.97Å; M664-W680 HydrophobicContact CE-CD2 4.18Å; M664-W680 HydrophobicContact CE-CH2 3.93Å; M664-W680 HydrophobicContact CE-CZ2 3.47Å; M664-W680 VanDerWaalsContact CE-CZ2 3.47Å; M664-W680 HydrophobicContact CE-CZ3 4.45Å; M664-W680 HydrophobicContact SD-CD2 4.18Å; M664-W680 HydrophobicContact SD-CE3 4.13Å; M664-W680 HydrophobicContact SD-CH2 4.15Å; M664-W680 HydrophobicContact SD-CZ2 4.2Å; M664-W680 HydrophobicContact SD-CZ3 4.12Å
665G97.8Very high96.8Very high0 Ų046.5 Ų46.50%023%0.23CC..Hα-helixtrans-57-43.9175.500000112.9F661 N662 M663 Y668 M669 A677 Y681F661-G665 PolarHBondContact O-N 3.24Å; N662-G665 WeakPolarHBondContact O-CA 3.44Å; N662-G665 PolarHBondContact O-N 3.39Å; N662-G665 VanDerWaalsContact O-N 3.11Å; M663-G665 VanDerWaalsContact C-N 3.35Å; G665-Y668 PolarHBondContact O-N 3.37Å; G665-M669 WeakPolarHBondContact O-CB 3.41Å; G665-M669 PolarHBondContact O-N 2.87Å; G665-A677 WeakPolarHBondContact O-CB 3.45Å; G665-Y681 VanDerWaalsContact C-CZ 3.46Å; G665-Y681 VanDerWaalsContact C-OH 3.29Å; G665-Y681 PolarHBondContact O-OH 3.22Å
666E97.9Very high97.1Very high51 Ų5148 Ų4824%0.23824%0.237CC..Hα-helixtrans-66.6-37.9177.2-70-165.1123.700113.1N662 M663 M664 M669 R670 Y681 T697N662-E666 PolarHBondContact O-N 3.36Å; M663-E666 WeakPolarHBondContact CE-OE2 3.37Å; M663-E666 PolarHBondContact O-N 3.06Å; M664-E666 VanDerWaalsContact C-N 3.34Å; M664-E666 PolarHBondContact O-N 3.39Å; E666-M669 HydrophobicContact CG-CE 4.39Å; E666-M669 PolarHBondContact O-N 3.39Å; E666-R670 PolarHBondContact O-N 2.86Å; E666-Y681 WeakPolarHBondContact CA-OH 3.37Å; E666-Y681 HydrophobicContact CG-CE1 4.16Å; E666-Y681 PolarHBondContact N-OH 3.01Å; E666-T697 HydrophobicContact CG-CG2 3.86Å; E666-T697 WeakPolarHBondContact OE1-CG2 3.42Å
667A97.5Very high97.3Very high0 Ų045.3 Ų45.30%021%0.214CC..Hα-helixtrans-66.6-41.4175.500000112.1L641 Y644 M663 M664 R670 L671L641-A667 HydrophobicContact CD2-CB 3.78Å; L641-A667 HydrophobicContact CG-CB 3.85Å; Y644-A667 HydrophobicContact CE2-CB 4.38Å; M663-A667 PolarHBondContact O-N 2.81Å; M664-A667 PolarHBondContact O-N 3.32Å; A667-R670 PolarHBondContact O-N 3.1Å; A667-L671 PolarHBondContact O-N 3.49Å
668Y98Very high97.4Very high14 Ų1444.4 Ų44.46%0.05521%0.209CC..Hα-helixtrans-62.7-41.1171.1-84.5-70.1000112.3L641 R645 M664 G665 R670 L671 N672 R673 E676 W680L641-Y668 HydrophobicContact CD1-CD1 3.91Å; L641-Y668 HydrophobicContact CD1-CD2 4.15Å; L641-Y668 HydrophobicContact CD1-CE1 3.87Å; L641-Y668 HydrophobicContact CD1-CE2 4.05Å; L641-Y668 HydrophobicContact CD1-CG 4.08Å; L641-Y668 HydrophobicContact CD2-CD2 3.53Å; L641-Y668 HydrophobicContact CD2-CE2 3.43Å; L641-Y668 VanDerWaalsContact CD2-CE2 3.43Å; L641-Y668 HydrophobicContact CD2-CG 4.2Å; L641-Y668 HydrophobicContact CG-CE2 4.39Å; R645-Y668 PolarHBondContact NH2-OH 3.02Å; M664-Y668 VanDerWaalsContact O-CD2 3.22Å; M664-Y668 WeakPolarHBondContact O-CD2 3.47Å; M664-Y668 PolarHBondContact O-N 2.95Å; G665-Y668 PolarHBondContact O-N 3.37Å; Y668-R670 PolarHBondContact O-N 3.21Å; Y668-L671 CarbonylContact O-C 3.48Å; Y668-L671 WeakPolarHBondContact O-CA 3.13Å; Y668-L671 PolarHBondContact O-N 3.29Å; Y668-L671 VanDerWaalsContact O-N 3.1Å; Y668-N672 PolarHBondContact O-N 3.01Å; Y668-R673 HydrophobicContact CD1-CB 3.71Å; Y668-R673 HydrophobicContact CD1-CG 4.38Å; Y668-R673 PolarHBondContact O-N 3.33Å; Y668-E676 HydrophobicContact CD1-CB 3.54Å; Y668-E676 HydrophobicContact CD1-CG 4.18Å; Y668-E676 HydrophobicContact CD2-CB 4.11Å; Y668-E676 HydrophobicContact CE1-CB 3.64Å; Y668-E676 HydrophobicContact CE1-CG 3.91Å; Y668-E676 HydrophobicContact CE2-CB 4.25Å; Y668-E676 HydrophobicContact CG-CB 3.77Å; Y668-W680 AromaticContact CD2-CD1 3.49Å; Y668-W680 VanDerWaalsContact CD2-CD1 3.49Å; Y668-W680 AromaticContact CD2-NE1 3.86Å; Y668-W680 AromaticContact CE2-CD1 3.48Å; Y668-W680 VanDerWaalsContact CE2-CD1 3.48Å; Y668-W680 AromaticContact CE2-NE1 3.31Å; Y668-W680 VanDerWaalsContact CE2-NE1 3.31Å
669M96.8Very high97.4Very high32 Ų3248 Ų4816%0.15822%0.222CC..Hα-helixtrans-62.7-40176.9-172.4171.565.800112G665 E666 L671 N672 A677 Y681 K700G665-M669 WeakPolarHBondContact O-CB 3.41Å; G665-M669 PolarHBondContact O-N 2.87Å; E666-M669 HydrophobicContact CG-CE 4.39Å; E666-M669 PolarHBondContact O-N 3.39Å; M669-L671 VanDerWaalsContact C-N 3.28Å; M669-L671 PolarHBondContact O-N 2.89Å; M669-N672 PolarHBondContact O-N 3.45Å; M669-A677 HydrophobicContact CB-CB 4.11Å; M669-Y681 VanDerWaalsContact CE-OH 3.24Å; M669-Y681 WeakPolarHBondContact CE-OH 3.47Å; M669-Y681 HydrophobicContact SD-CE2 4.4Å; M669-Y681 PolarHBondContact SD-OH 3.49Å; M669-Y681 VanDerWaalsContact SD-OH 3.39Å; M669-K700 HydrophobicContact CE-CD 4.47Å
670R96.2Very high97.5Very high154 Ų15448 Ų4858%0.58122%0.216SC*.Hα-helixtrans-66.3-25.8173-74.5-170.6-171.5-124.112.9113.7H632 Q637 E666 A667 Y668 N672H632-R670 VanDerWaalsContact CE1-CD 3.4Å; H632-R670 WeakPolarHBondContact CE1-CD 3.14Å; H632-R670 PolarHBondContact CE1-NE 3.38Å; H632-R670 PolarHBondContact NE2-NE 3.16Å; H632-R670 PolarHBondContact NE2-NH2 2.94Å; Q637-R670 HydrophobicContact CG-CB 3.93Å; Q637-R670 VanDerWaalsContact NE2-CD 3.34Å; E666-R670 PolarHBondContact O-N 2.86Å; A667-R670 PolarHBondContact O-N 3.1Å; Y668-R670 PolarHBondContact O-N 3.21Å; R670-N672 VanDerWaalsContact C-N 3.27Å
671L96.3Very high97.5Very high57 Ų5748 Ų4830%0.29822%0.216SC..THydrogen-bonded Turntrans-85.56.4171.8-70.8170.7000113.3Q637 E638 L641 A667 Y668 M669 R673Q637-L671 HydrophobicContact CB-CD1 3.8Å; Q637-L671 HydrophobicContact CB-CD2 3.89Å; Q637-L671 HydrophobicContact CB-CG 3.64Å; Q637-L671 HydrophobicContact CG-CD2 4.43Å; Q637-L671 HydrophobicContact CG-CG 4.25Å; E638-L671 HydrophobicContact CG-CD1 4.15Å; E638-L671 HydrophobicContact CG-CD2 4.47Å; L641-L671 HydrophobicContact CD1-CD1 3.66Å; A667-L671 PolarHBondContact O-N 3.49Å; Y668-L671 CarbonylContact O-C 3.48Å; Y668-L671 WeakPolarHBondContact O-CA 3.13Å; Y668-L671 PolarHBondContact O-N 3.29Å; Y668-L671 VanDerWaalsContact O-N 3.1Å; M669-L671 VanDerWaalsContact C-N 3.28Å; M669-L671 PolarHBondContact O-N 2.89Å; L671-R673 HydrophobicContact CB-CG 4.34Å; L671-R673 PolarHBondContact O-N 2.95Å
672N95.5Very high97.5Very high124 Ų12451.7 Ų51.766%0.66323%0.229SC*.THydrogen-bonded Turntrans56.725-174.5-161.548.1000114.3Y668 M669 R670 L674Y668-N672 PolarHBondContact O-N 3.01Å; M669-N672 PolarHBondContact O-N 3.45Å; R670-N672 VanDerWaalsContact C-N 3.27Å; N672-L674 PolarHBondContact O-N 2.9Å
673R97.3Very high97.5Very high86 Ų8653.3 Ų53.333%0.32524%0.237SC..  trans-92.575.7176.1-76.9-178.5-173.8148.97.6109.4E638 Y668 L671 E676 A677E638-R673 IonicContact OE1-CZ 3.7Å; E638-R673 IonicContact OE1-NH1 3.95Å; E638-R673 PolarHBondContact OE1-NH1 3.42Å; E638-R673 IonicContact OE1-NH2 2.87Å; E638-R673 PolarHBondContact OE1-NH2 3.48Å; E638-R673 IonicContact OE2-NH1 2.71Å; E638-R673 PolarHBondContact OE2-NH1 3.3Å; Y668-R673 HydrophobicContact CD1-CB 3.71Å; Y668-R673 HydrophobicContact CD1-CG 4.38Å; Y668-R673 PolarHBondContact O-N 3.33Å; L671-R673 HydrophobicContact CB-CG 4.34Å; L671-R673 PolarHBondContact O-N 2.95Å; R673-E676 WeakPolarHBondContact CB-OE2 3.38Å; R673-E676 WeakPolarHBondContact CD-OE1 3.45Å; R673-A677 WeakPolarHBondContact O-CB 3.31Å; R673-A677 PolarHBondContact O-N 2.89Å; R673-A677 VanDerWaalsContact O-N 3.08Å
674L97.1Very high97.5Very high50 Ų5052 Ų5226%0.26223%0.231SC..Hα-helixtrans-70.2-32.6-165.2-56.5-174.5000113.5N672 G678 L701 I704 I705N672-L674 PolarHBondContact O-N 2.9Å; L674-G678 PolarHBondContact O-N 3.09Å; L674-L701 HydrophobicContact CB-CD1 4.03Å; L674-L701 HydrophobicContact CD2-CD1 3.79Å; L674-L701 HydrophobicContact CG-CD1 4.4Å; L674-I704 HydrophobicContact CD1-CG2 4.2Å; L674-I705 HydrophobicContact CD1-CG2 4.06Å
675E96.3Very high97.5Very high164 Ų16453 Ų5377%0.76624%0.236SC*.Hα-helixtrans-68.4-48.3179.5-172.9-179.9171.500111.1A677 G678 Y679E675-A677 VanDerWaalsContact C-N 3.35Å; E675-A677 PolarHBondContact O-N 2.85Å; E675-G678 PolarHBondContact O-N 3.07Å; E675-Y679 PolarHBondContact O-N 3.04Å
676E97.8Very high97.5Very high70 Ų7060 Ų6033%0.32727%0.266SS..Hα-helixtrans-65.7-37.9177-55.9100.4118.300111.7Y668 R673 G678 Y679 W680Y668-E676 HydrophobicContact CD1-CB 3.54Å; Y668-E676 HydrophobicContact CD1-CG 4.18Å; Y668-E676 HydrophobicContact CD2-CB 4.11Å; Y668-E676 HydrophobicContact CE1-CB 3.64Å; Y668-E676 HydrophobicContact CE1-CG 3.91Å; Y668-E676 HydrophobicContact CE2-CB 4.25Å; Y668-E676 HydrophobicContact CG-CB 3.77Å; R673-E676 WeakPolarHBondContact CB-OE2 3.38Å; R673-E676 WeakPolarHBondContact CD-OE1 3.45Å; E676-G678 VanDerWaalsContact C-N 3.34Å; E676-G678 PolarHBondContact O-N 3.48Å; E676-Y679 WeakPolarHBondContact O-CB 3.07Å; E676-Y679 PolarHBondContact O-N 3.19Å; E676-W680 PolarHBondContact O-N 3.34Å
677A98.1Very high97.4Very high0 Ų059.8 Ų59.80%027%0.273CS..Hα-helixtrans-57.1-48.717200000111G665 M669 R673 E675 Y679 W680 Y681 L701G665-A677 WeakPolarHBondContact O-CB 3.45Å; M669-A677 HydrophobicContact CB-CB 4.11Å; R673-A677 WeakPolarHBondContact O-CB 3.31Å; R673-A677 PolarHBondContact O-N 2.89Å; R673-A677 VanDerWaalsContact O-N 3.08Å; E675-A677 VanDerWaalsContact C-N 3.35Å; E675-A677 PolarHBondContact O-N 2.85Å; A677-Y679 VanDerWaalsContact C-N 3.33Å; A677-Y679 PolarHBondContact O-N 2.98Å; A677-W680 PolarHBondContact O-N 2.76Å; A677-Y681 HydrophobicContact CB-CE2 4.03Å; A677-Y681 WeakPolarHBondContact O-CD2 3.49Å; A677-Y681 VanDerWaalsContact O-CG 3.3Å; A677-Y681 PolarHBondContact O-N 3.24Å; A677-L701 HydrophobicContact CB-CD1 4.47Å; A677-L701 HydrophobicContact CB-CD2 4.13Å
678G97.6Very high97.4Very high3 Ų363.1 Ų63.13%0.03129%0.288CS..Hα-helixtrans-63.7-35177.700000113.7L674 E675 E676 R682 L701L674-G678 PolarHBondContact O-N 3.09Å; E675-G678 PolarHBondContact O-N 3.07Å; E676-G678 VanDerWaalsContact C-N 3.34Å; E676-G678 PolarHBondContact O-N 3.48Å; G678-R682 WeakPolarHBondContact O-CG 3.35Å; G678-R682 PolarHBondContact O-N 2.88Å; G678-R682 PolarHBondContact O-NE 3.09Å; G678-R682 PolarHBondContact O-NH1 3.46Å; G678-L701 VanDerWaalsContact N-CD2 3.26Å
679Y98.1Very high97.4Very high108 Ų10866.8 Ų66.842%0.42431%0.313SS..Hα-helixtrans-59.9-53.9170.9171.7-93.1000111.2E675 E676 A677 Y681 R682 E683E675-Y679 PolarHBondContact O-N 3.04Å; E676-Y679 WeakPolarHBondContact O-CB 3.07Å; E676-Y679 PolarHBondContact O-N 3.19Å; A677-Y679 VanDerWaalsContact C-N 3.33Å; A677-Y679 PolarHBondContact O-N 2.98Å; Y679-Y681 PolarHBondContact O-N 3.27Å; Y679-R682 WeakPolarHBondContact O-CB 3.47Å; Y679-R682 PolarHBondContact O-N 3.12Å; Y679-R682 VanDerWaalsContact O-N 3.13Å; Y679-E683 HydrophobicContact CD1-CG 4.27Å; Y679-E683 HydrophobicContact CE1-CG 3.75Å; Y679-E683 HydrophobicContact CE2-CG 4.02Å; Y679-E683 PolarHBondContact O-N 3.39Å
680W98.3Very high97.3Very high40 Ų4069 Ų6915%0.15233%0.325CS..Hα-helixtrans-67.8-34.2-175.2-74.2112.9000113.7F661 M664 Y668 E676 A677 E683 S684F661-W680 HydrophobicContact CB-CE3 4.16Å; F661-W680 AromaticContact CD1-CE3 3.68Å; F661-W680 HydrophobicContact CD1-CE3 3.68Å; F661-W680 AromaticContact CD1-CZ3 3.5Å; F661-W680 HydrophobicContact CD1-CZ3 3.5Å; F661-W680 HydrophobicContact CE1-CE3 4.23Å; F661-W680 AromaticContact CE1-CZ3 3.58Å; F661-W680 HydrophobicContact CE1-CZ3 3.58Å; F661-W680 AromaticContact CG-CE3 3.97Å; F661-W680 HydrophobicContact CG-CE3 3.97Å; F661-W680 HydrophobicContact CG-CZ3 4.16Å; F661-W680 HydrophobicContact CZ-CZ3 4.28Å; F661-W680 WeakPolarHBondContact O-CB 3.37Å; M664-W680 HydrophobicContact CB-CB 4.31Å; M664-W680 HydrophobicContact CB-CD2 4.16Å; M664-W680 HydrophobicContact CB-CG 3.97Å; M664-W680 HydrophobicContact CE-CD2 4.18Å; M664-W680 HydrophobicContact CE-CH2 3.93Å; M664-W680 HydrophobicContact CE-CZ2 3.47Å; M664-W680 VanDerWaalsContact CE-CZ2 3.47Å; M664-W680 HydrophobicContact CE-CZ3 4.45Å; M664-W680 HydrophobicContact SD-CD2 4.18Å; M664-W680 HydrophobicContact SD-CE3 4.13Å; M664-W680 HydrophobicContact SD-CH2 4.15Å; M664-W680 HydrophobicContact SD-CZ2 4.2Å; M664-W680 HydrophobicContact SD-CZ3 4.12Å; Y668-W680 AromaticContact CD2-CD1 3.49Å; Y668-W680 VanDerWaalsContact CD2-CD1 3.49Å; Y668-W680 AromaticContact CD2-NE1 3.86Å; Y668-W680 AromaticContact CE2-CD1 3.48Å; Y668-W680 VanDerWaalsContact CE2-CD1 3.48Å; Y668-W680 AromaticContact CE2-NE1 3.31Å; Y668-W680 VanDerWaalsContact CE2-NE1 3.31Å; E676-W680 PolarHBondContact O-N 3.34Å; A677-W680 PolarHBondContact O-N 2.76Å; W680-E683 HydrophobicContact CE3-CB 4.37Å; W680-E683 PolarHBondContact O-N 3.23Å; W680-S684 PolarHBondContact O-N 3.46Å
681Y98.4Very high97.4Very high0 Ų062.3 Ų62.30%030%0.301CS..Hα-helixtrans-64.5-39.4171.4-60.8-43.8000112.3N662 G665 E666 M669 A677 Y679 S684 L685 T697 Y698 L701N662-Y681 WeakPolarHBondContact OD1-CD1 3.36Å; G665-Y681 VanDerWaalsContact C-CZ 3.46Å; G665-Y681 VanDerWaalsContact C-OH 3.29Å; G665-Y681 PolarHBondContact O-OH 3.22Å; E666-Y681 WeakPolarHBondContact CA-OH 3.37Å; E666-Y681 HydrophobicContact CG-CE1 4.16Å; E666-Y681 PolarHBondContact N-OH 3.01Å; M669-Y681 VanDerWaalsContact CE-OH 3.24Å; M669-Y681 WeakPolarHBondContact CE-OH 3.47Å; M669-Y681 HydrophobicContact SD-CE2 4.4Å; M669-Y681 PolarHBondContact SD-OH 3.49Å; M669-Y681 VanDerWaalsContact SD-OH 3.39Å; A677-Y681 HydrophobicContact CB-CE2 4.03Å; A677-Y681 WeakPolarHBondContact O-CD2 3.49Å; A677-Y681 VanDerWaalsContact O-CG 3.3Å; A677-Y681 PolarHBondContact O-N 3.24Å; Y679-Y681 PolarHBondContact O-N 3.27Å; Y681-S684 WeakPolarHBondContact O-CB 3.47Å; Y681-S684 PolarHBondContact O-N 3.2Å; Y681-L685 PolarHBondContact O-N 3.48Å; Y681-T697 VanDerWaalsContact CD1-OG1 3.31Å; Y681-T697 WeakPolarHBondContact CD1-OG1 3.21Å; Y681-T697 VanDerWaalsContact CE1-CB 3.45Å; Y681-T697 HydrophobicContact CE1-CG2 4.23Å; Y681-T697 VanDerWaalsContact CE1-OG1 3.23Å; Y681-T697 WeakPolarHBondContact CE1-OG1 3.31Å; Y681-Y698 AromaticContact CD2-CD2 3.91Å; Y681-Y698 HydrophobicContact CD2-CD2 3.91Å; Y681-Y698 HydrophobicContact CG-CD2 4.32Å; Y681-L701 HydrophobicContact CD2-CB 4.34Å; Y681-L701 HydrophobicContact CD2-CD2 3.81Å; Y681-L701 HydrophobicContact CE2-CB 4.05Å; Y681-L701 HydrophobicContact CE2-CD2 3.94Å
682R98.3Very high97.4Very high102 Ų10261 Ų6139%0.38529%0.294SS..Hα-helixtrans-65.2-40.5173.4-72.9-175.5-62.3-96.53.3112.3G678 Y679 S684 L685 K686 Y698G678-R682 WeakPolarHBondContact O-CG 3.35Å; G678-R682 PolarHBondContact O-N 2.88Å; G678-R682 PolarHBondContact O-NE 3.09Å; G678-R682 PolarHBondContact O-NH1 3.46Å; Y679-R682 WeakPolarHBondContact O-CB 3.47Å; Y679-R682 PolarHBondContact O-N 3.12Å; Y679-R682 VanDerWaalsContact O-N 3.13Å; R682-S684 VanDerWaalsContact C-N 3.33Å; R682-L685 PolarHBondContact O-N 3.17Å; R682-K686 WeakPolarHBondContact O-CG 3.18Å; R682-K686 PolarHBondContact O-N 3.49Å; R682-Y698 HydrophobicContact CG-CE1 4.14Å; R682-Y698 HydrophobicContact CG-CE2 4.36Å; R682-Y698 PolarHBondContact NH1-OH 3.41Å
683E98.1Very high97.4Very high37 Ų3758 Ų5817%0.17328%0.281CS..Hα-helixtrans-65.2-36.3174-63.8-47.9122.900112.2F661 Y679 W680 K686 A687F661-E683 HydrophobicContact CD2-CB 3.85Å; F661-E683 HydrophobicContact CE2-CB 4.16Å; F661-E683 HydrophobicContact CG-CB 4.42Å; Y679-E683 HydrophobicContact CD1-CG 4.27Å; Y679-E683 HydrophobicContact CE1-CG 3.75Å; Y679-E683 HydrophobicContact CE2-CG 4.02Å; Y679-E683 PolarHBondContact O-N 3.39Å; W680-E683 HydrophobicContact CE3-CB 4.37Å; W680-E683 PolarHBondContact O-N 3.23Å; E683-K686 PolarHBondContact O-N 2.82Å; E683-K686 WeakPolarHBondContact OE1-CE 3.24Å; E683-K686 IonicContact OE1-NZ 2.96Å; E683-K686 PolarHBondContact OE1-NZ 3.41Å; E683-K686 WeakPolarHBondContact OE2-CD 3.42Å; E683-K686 IonicContact OE2-NZ 2.79Å; E683-A687 WeakPolarHBondContact O-CB 3.28Å; E683-A687 PolarHBondContact O-N 3.19Å
684S98.1Very high97.4Very high0 Ų053.9 Ų53.90%027%0.265CS..Hα-helixtrans-58.5-48172.2-172.80000111.6H658 W680 Y681 R682 A687 K688 H691 A694H658-S684 PolarHBondContact O-OG 3.15Å; W680-S684 PolarHBondContact O-N 3.46Å; Y681-S684 WeakPolarHBondContact O-CB 3.47Å; Y681-S684 PolarHBondContact O-N 3.2Å; R682-S684 VanDerWaalsContact C-N 3.33Å; S684-A687 PolarHBondContact O-N 2.9Å; S684-K688 PolarHBondContact O-N 2.85Å; S684-H691 PolarHBondContact OG-ND1 3Å; S684-A694 WeakPolarHBondContact OG-CB 3.28Å
685L97.9Very high97.4Very high21 Ų2152 Ų5211%0.1126%0.256CS..Hα-helixtrans-71.7-30178.8-68.7176000113.7Y681 R682 K688 P689 A694 H695 Y698 Y714Y681-L685 PolarHBondContact O-N 3.48Å; R682-L685 PolarHBondContact O-N 3.17Å; L685-K688 CarbonylContact O-C 3.04Å; L685-K688 VanDerWaalsContact O-C 3.22Å; L685-P689 WeakPolarHBondContact O-CA 3.46Å; L685-P689 WeakPolarHBondContact O-CD 3.28Å; L685-P689 WeakPolarHBondContact O-CG 3.33Å; L685-P689 VanDerWaalsContact O-N 3.08Å; L685-A694 HydrophobicContact CD2-CB 3.73Å; L685-A694 HydrophobicContact CG-CB 3.88Å; L685-H695 WeakPolarHBondContact CD2-NE2 3.42Å; L685-Y698 HydrophobicContact CD1-CD1 4.31Å; L685-Y714 HydrophobicContact CD1-CD1 4.29Å; L685-Y714 HydrophobicContact CD1-CE1 3.78Å
686K97.8Very high97.5Very high146 Ų14644.8 Ų44.864%0.63522%0.222SC*.Hα-helixtrans-64.9-41.8169-75.5172.6-177.3174.80111.6R682 E683R682-K686 WeakPolarHBondContact O-CG 3.18Å; R682-K686 PolarHBondContact O-N 3.49Å; E683-K686 PolarHBondContact O-N 2.82Å; E683-K686 WeakPolarHBondContact OE1-CE 3.24Å; E683-K686 IonicContact OE1-NZ 2.96Å; E683-K686 PolarHBondContact OE1-NZ 3.41Å; E683-K686 WeakPolarHBondContact OE2-CD 3.42Å; E683-K686 IonicContact OE2-NZ 2.79Å
687A95.7Very high97.5Very high48 Ų4842 Ų4240%0.39721%0.21SC..Hα-helixtrans-71.4-32.6178.700000112.7P657 H658 F661 E683 S684P657-A687 HydrophobicContact CG-CB 3.7Å; H658-A687 HydrophobicContact CB-CB 4.37Å; F661-A687 HydrophobicContact CD2-CB 4.43Å; F661-A687 HydrophobicContact CE2-CB 4.4Å; E683-A687 WeakPolarHBondContact O-CB 3.28Å; E683-A687 PolarHBondContact O-N 3.19Å; S684-A687 PolarHBondContact O-N 2.9Å
688K97.4Very high97.4Very high70 Ų7043.1 Ų43.130%0.30421%0.214SC..  trans-149.897.8174.9-174.7171.8178.5174.20111.4H658 S684 L685 D690 H691H658-K688 HydrophobicContact CB-CB 3.67Å; S684-K688 PolarHBondContact O-N 2.85Å; L685-K688 CarbonylContact O-C 3.04Å; L685-K688 VanDerWaalsContact O-C 3.22Å; K688-D690 WeakPolarHBondContact CE-OD1 3.34Å; K688-D690 WeakPolarHBondContact CE-OD2 3.49Å; K688-D690 WeakPolarHBondContact CG-OD1 3.42Å; K688-D690 IonicContact NZ-OD2 3.23Å; K688-D690 PolarHBondContact NZ-OD2 2.93Å; K688-D690 PolarHBondContact O-N 3.29Å; K688-H691 HydrophobicContact CB-CB 4.01Å; K688-H691 HydrophobicContact CD-CB 4.29Å; K688-H691 HydrophobicContact CG-CB 4.02Å; K688-H691 WeakPolarHBondContact O-CB 3.34Å; K688-H691 PolarHBondContact O-N 3.48Å
689P97.4Very high97.4Very high90 Ų9043 Ų4358%0.58421%0.213SC*.THydrogen-bonded Turntrans-63.9-21.2-175.7-26.335.7000115.7L685 H695L685-P689 WeakPolarHBondContact O-CA 3.46Å; L685-P689 WeakPolarHBondContact O-CD 3.28Å; L685-P689 WeakPolarHBondContact O-CG 3.33Å; L685-P689 VanDerWaalsContact O-N 3.08Å; P689-H695 PolarHBondContact O-NE2 3.45Å
690D96.1Very high97.3Very high78 Ų7842.4 Ų42.442%0.41721%0.212SC..THydrogen-bonded Turntrans-94.713.1175.863.4-47.3000113.2K688 I692 L721K688-D690 WeakPolarHBondContact CE-OD1 3.34Å; K688-D690 WeakPolarHBondContact CE-OD2 3.49Å; K688-D690 WeakPolarHBondContact CG-OD1 3.42Å; K688-D690 IonicContact NZ-OD2 3.23Å; K688-D690 PolarHBondContact NZ-OD2 2.93Å; K688-D690 PolarHBondContact O-N 3.29Å; D690-I692 PolarHBondContact O-N 3.26Å; D690-L721 HydrophobicContact CB-CD1 4.49Å; D690-L721 HydrophobicContact CB-CD2 3.85Å
691H96.7Very high97.3Very high15 Ų1540.7 Ų40.77%0.06921%0.206CC..  trans-74.889.3-179.7-173.7-139.5000112.4H658 S684 K688 A694 H695H658-H691 HydrophobicContact CB-CB 4.46Å; H658-H691 AromaticContact CD2-CD2 3.52Å; H658-H691 AromaticContact CD2-CE1 3.97Å; H658-H691 AromaticContact CD2-CG 3.79Å; H658-H691 AromaticContact CD2-NE2 3.67Å; S684-H691 PolarHBondContact OG-ND1 3Å; K688-H691 HydrophobicContact CB-CB 4.01Å; K688-H691 HydrophobicContact CD-CB 4.29Å; K688-H691 HydrophobicContact CG-CB 4.02Å; K688-H691 WeakPolarHBondContact O-CB 3.34Å; K688-H691 PolarHBondContact O-N 3.48Å; H691-A694 HydrophobicContact CB-CB 4.37Å; H691-A694 WeakPolarHBondContact ND1-CB 3.38Å; H691-A694 PolarHBondContact O-N 3.16Å; H691-H695 PolarHBondContact O-CD2 3.07Å; H691-H695 PolarHBondContact O-N 3.21Å
692I96.4Very high97.2Very high30 Ų3041.2 Ų41.215%0.15421%0.209CC..Hα-helixtrans-47.7-50.1-176.9-67.9162.9000113.9D690 A694 H695 L696 A718 L721 D722D690-I692 PolarHBondContact O-N 3.26Å; I692-A694 VanDerWaalsContact C-N 3.26Å; I692-A694 PolarHBondContact O-N 3.18Å; I692-H695 WeakPolarHBondContact O-CB 3.38Å; I692-H695 PolarHBondContact O-N 3.32Å; I692-L696 HydrophobicContact CG2-CD1 4.03Å; I692-L696 HydrophobicContact CG2-CG 4.4Å; I692-L696 WeakPolarHBondContact O-CG 3.36Å; I692-L696 PolarHBondContact O-N 3.43Å; I692-L696 VanDerWaalsContact O-N 3.11Å; I692-A718 HydrophobicContact CG2-CB 4.24Å; I692-L721 HydrophobicContact CD1-CB 4.05Å; I692-L721 HydrophobicContact CG1-CB 3.78Å; I692-L721 HydrophobicContact CG1-CD1 4.09Å; I692-D722 HydrophobicContact CD1-CB 3.5Å; I692-D722 VanDerWaalsContact CD1-CB 3.5Å
693P96.3Very high97Very high59 Ų5937 Ų3738%0.38320%0.195SC..Hα-helixtrans-52.2-40.8176-29.435000114.1L696 T697P693-L696 PolarHBondContact O-N 3.24Å; P693-T697 WeakPolarHBondContact O-CG2 2.79Å; P693-T697 PolarHBondContact O-N 2.92Å; P693-T697 PolarHBondContact O-OG1 3.44Å
694A97.1Very high96.7Very high0 Ų039.7 Ų39.70%021%0.21CC..Hα-helixtrans-72.7-27.2179.500000113.7N662 S684 L685 H691 I692 T697 Y698N662-A694 WeakPolarHBondContact OD1-CA 3.32Å; S684-A694 WeakPolarHBondContact OG-CB 3.28Å; L685-A694 HydrophobicContact CD2-CB 3.73Å; L685-A694 HydrophobicContact CG-CB 3.88Å; H691-A694 HydrophobicContact CB-CB 4.37Å; H691-A694 WeakPolarHBondContact ND1-CB 3.38Å; H691-A694 PolarHBondContact O-N 3.16Å; I692-A694 VanDerWaalsContact C-N 3.26Å; I692-A694 PolarHBondContact O-N 3.18Å; A694-T697 WeakPolarHBondContact CA-OG1 3.5Å; A694-T697 PolarHBondContact O-OG1 2.85Å; A694-Y698 WeakPolarHBondContact O-CB 3.36Å; A694-Y698 PolarHBondContact O-N 3.14Å; A694-Y698 VanDerWaalsContact O-N 3.08Å
695H98Very high96.6Very high12 Ų1243.9 Ų43.96%0.05623%0.231CC..Hα-helixtrans-66.8-44168.6-73.6-80.5000110.8L685 P689 H691 I692 G699 Y714 A718L685-H695 WeakPolarHBondContact CD2-NE2 3.42Å; P689-H695 PolarHBondContact O-NE2 3.45Å; H691-H695 PolarHBondContact O-CD2 3.07Å; H691-H695 PolarHBondContact O-N 3.21Å; I692-H695 WeakPolarHBondContact O-CB 3.38Å; I692-H695 PolarHBondContact O-N 3.32Å; H695-G699 PolarHBondContact O-N 3.08Å; H695-Y714 HydrophobicContact CB-CD1 4.48Å; H695-Y714 AromaticContact ND1-CD1 3.38Å; H695-Y714 WeakPolarHBondContact ND1-CD1 3.25Å; H695-Y714 AromaticContact ND1-CE1 3.94Å; H695-A718 HydrophobicContact CB-CB 4.06Å
696L97.1Very high96.3Very high12 Ų1245 Ų456%0.06325%0.248CC..Hα-helixtrans-67.7-45.1-178.9-62.3175.1000112.6I692 P693 K700 Y715 A718 H731I692-L696 HydrophobicContact CG2-CD1 4.03Å; I692-L696 HydrophobicContact CG2-CG 4.4Å; I692-L696 WeakPolarHBondContact O-CG 3.36Å; I692-L696 PolarHBondContact O-N 3.43Å; I692-L696 VanDerWaalsContact O-N 3.11Å; P693-L696 PolarHBondContact O-N 3.24Å; L696-K700 WeakPolarHBondContact O-CB 3.46Å; L696-K700 PolarHBondContact O-N 3.09Å; L696-Y715 HydrophobicContact CD2-CD1 3.84Å; L696-Y715 HydrophobicContact CD2-CE1 4.26Å; L696-A718 HydrophobicContact CD2-CB 3.49Å; L696-A718 VanDerWaalsContact CD2-CB 3.49Å; L696-A718 HydrophobicContact CG-CB 3.95Å; L696-H731 HydrophobicContact CD2-CB 3.93Å
697T97.4Very high96.2Very high12 Ų1242.8 Ų42.87%0.07424%0.24CC..Hα-helixtrans-70.3-37.5178.655.90000112.3N662 E666 Y681 P693 A694 K700 L701N662-T697 PolarHBondContact OD1-OG1 3.05Å; E666-T697 HydrophobicContact CG-CG2 3.86Å; E666-T697 WeakPolarHBondContact OE1-CG2 3.42Å; Y681-T697 VanDerWaalsContact CD1-OG1 3.31Å; Y681-T697 WeakPolarHBondContact CD1-OG1 3.21Å; Y681-T697 VanDerWaalsContact CE1-CB 3.45Å; Y681-T697 HydrophobicContact CE1-CG2 4.23Å; Y681-T697 VanDerWaalsContact CE1-OG1 3.23Å; Y681-T697 WeakPolarHBondContact CE1-OG1 3.31Å; P693-T697 WeakPolarHBondContact O-CG2 2.79Å; P693-T697 PolarHBondContact O-N 2.92Å; P693-T697 PolarHBondContact O-OG1 3.44Å; A694-T697 WeakPolarHBondContact CA-OG1 3.5Å; A694-T697 PolarHBondContact O-OG1 2.85Å; T697-K700 PolarHBondContact O-N 2.84Å; T697-L701 PolarHBondContact O-N 2.9Å
698Y97.9Very high96.2Very high23 Ų2345.4 Ų45.49%0.0924%0.242CC..Hα-helixtrans-71.3-40.7175.4-165-138.8000111.9Y681 R682 L685 A694 K700 L701 L702 Y714Y681-Y698 AromaticContact CD2-CD2 3.91Å; Y681-Y698 HydrophobicContact CD2-CD2 3.91Å; Y681-Y698 HydrophobicContact CG-CD2 4.32Å; R682-Y698 HydrophobicContact CG-CE1 4.14Å; R682-Y698 HydrophobicContact CG-CE2 4.36Å; R682-Y698 PolarHBondContact NH1-OH 3.41Å; L685-Y698 HydrophobicContact CD1-CD1 4.31Å; A694-Y698 WeakPolarHBondContact O-CB 3.36Å; A694-Y698 PolarHBondContact O-N 3.14Å; A694-Y698 VanDerWaalsContact O-N 3.08Å; Y698-K700 VanDerWaalsContact C-N 3.26Å; Y698-K700 PolarHBondContact O-N 3.37Å; Y698-L701 HydrophobicContact CD2-CD2 4.14Å; Y698-L701 HydrophobicContact CE2-CD2 4.25Å; Y698-L701 PolarHBondContact O-N 3.36Å; Y698-L701 VanDerWaalsContact O-N 3.15Å; Y698-L702 HydrophobicContact CD1-CD1 3.99Å; Y698-L702 HydrophobicContact CD2-CG 4.4Å; Y698-L702 HydrophobicContact CE1-CD1 3.96Å; Y698-L702 HydrophobicContact CE1-CG 4.46Å; Y698-L702 HydrophobicContact CE2-CD2 4.3Å; Y698-L702 HydrophobicContact CE2-CG 4.3Å; Y698-L702 HydrophobicContact CG-CD1 4.34Å; Y698-L702 WeakPolarHBondContact O-CB 3.33Å; Y698-L702 VanDerWaalsContact O-CG 3.28Å; Y698-L702 WeakPolarHBondContact O-CG 3.44Å; Y698-L702 PolarHBondContact O-N 3.2Å; Y698-Y714 HydrophobicContact CD1-CD1 4.03Å; Y698-Y714 HydrophobicContact CD1-CD2 4.21Å; Y698-Y714 AromaticContact CD1-CE1 3.66Å; Y698-Y714 HydrophobicContact CD1-CE1 3.66Å; Y698-Y714 AromaticContact CD1-CE2 3.84Å; Y698-Y714 HydrophobicContact CD1-CE2 3.84Å; Y698-Y714 HydrophobicContact CD1-CG 4.32Å; Y698-Y714 AromaticContact CD1-CZ 3.56Å; Y698-Y714 HydrophobicContact CE1-CE1 4.16Å; Y698-Y714 AromaticContact CE1-CE2 3.85Å; Y698-Y714 HydrophobicContact CE1-CE2 3.85Å; Y698-Y714 AromaticContact CE1-CZ 3.6Å
699G97Very high96.1Very high0 Ų046.6 Ų46.60%026%0.256CS..Hα-helixtrans-56.1-41.4171.100000112.1H695 L702 S703 A711H695-G699 PolarHBondContact O-N 3.08Å; G699-L702 PolarHBondContact O-N 2.97Å; G699-S703 PolarHBondContact O-N 3.32Å; G699-A711 VanDerWaalsContact O-CB 3.32Å; G699-A711 WeakPolarHBondContact O-CB 3.49Å
700K96.3Very high96Very high95 Ų9545.8 Ų45.841%0.41324%0.244SC..Hα-helixtrans-63-45174.5-173.5174.5-179.4175.40112.5M669 L696 T697 Y698 S703 I704 Y715M669-K700 HydrophobicContact CE-CD 4.47Å; L696-K700 WeakPolarHBondContact O-CB 3.46Å; L696-K700 PolarHBondContact O-N 3.09Å; T697-K700 PolarHBondContact O-N 2.84Å; Y698-K700 VanDerWaalsContact C-N 3.26Å; Y698-K700 PolarHBondContact O-N 3.37Å; K700-S703 WeakPolarHBondContact O-CB 3.41Å; K700-S703 PolarHBondContact O-N 3.22Å; K700-I704 HydrophobicContact CG-CD1 4.24Å; K700-I704 WeakPolarHBondContact O-CG1 3.32Å; K700-I704 PolarHBondContact O-N 2.87Å; K700-I704 VanDerWaalsContact O-N 3.13Å; K700-Y715 WeakPolarHBondContact CA-OH 3.26Å; K700-Y715 WeakPolarHBondContact CB-OH 3.29Å; K700-Y715 PolarHBondContact N-OH 2.88Å; K700-Y715 VanDerWaalsContact N-OH 3.13Å
701L96.9Very high96Very high4 Ų442.1 Ų42.12%0.02122%0.224CC..Hα-helixtrans-61.4-43.3175.2-179.367000111.9L674 A677 G678 Y681 T697 Y698 S703 I704 I705L674-L701 HydrophobicContact CB-CD1 4.03Å; L674-L701 HydrophobicContact CD2-CD1 3.79Å; L674-L701 HydrophobicContact CG-CD1 4.4Å; A677-L701 HydrophobicContact CB-CD1 4.47Å; A677-L701 HydrophobicContact CB-CD2 4.13Å; G678-L701 VanDerWaalsContact N-CD2 3.26Å; Y681-L701 HydrophobicContact CD2-CB 4.34Å; Y681-L701 HydrophobicContact CD2-CD2 3.81Å; Y681-L701 HydrophobicContact CE2-CB 4.05Å; Y681-L701 HydrophobicContact CE2-CD2 3.94Å; T697-L701 PolarHBondContact O-N 2.9Å; Y698-L701 HydrophobicContact CD2-CD2 4.14Å; Y698-L701 HydrophobicContact CE2-CD2 4.25Å; Y698-L701 PolarHBondContact O-N 3.36Å; Y698-L701 VanDerWaalsContact O-N 3.15Å; L701-S703 VanDerWaalsContact C-N 3.33Å; L701-S703 PolarHBondContact O-N 3.14Å; L701-I704 PolarHBondContact O-N 3.44Å; L701-I704 VanDerWaalsContact O-N 3.16Å; L701-I705 HydrophobicContact CD1-CG2 4.47Å; L701-I705 PolarHBondContact O-N 2.95Å
702L96.5Very high96.1Very high11 Ų1143.7 Ų43.76%0.05823%0.232CC..Hα-helixtrans-61.9-39.3177.7-69.6170.6000111.7Y698 G699 I705 G706 E707 E710 A711 Y714Y698-L702 HydrophobicContact CD1-CD1 3.99Å; Y698-L702 HydrophobicContact CD2-CG 4.4Å; Y698-L702 HydrophobicContact CE1-CD1 3.96Å; Y698-L702 HydrophobicContact CE1-CG 4.46Å; Y698-L702 HydrophobicContact CE2-CD2 4.3Å; Y698-L702 HydrophobicContact CE2-CG 4.3Å; Y698-L702 HydrophobicContact CG-CD1 4.34Å; Y698-L702 WeakPolarHBondContact O-CB 3.33Å; Y698-L702 VanDerWaalsContact O-CG 3.28Å; Y698-L702 WeakPolarHBondContact O-CG 3.44Å; Y698-L702 PolarHBondContact O-N 3.2Å; G699-L702 PolarHBondContact O-N 2.97Å; L702-I705 HydrophobicContact CD2-CD1 3.97Å; L702-I705 WeakPolarHBondContact O-CG1 3.32Å; L702-I705 PolarHBondContact O-N 2.78Å; L702-G706 PolarHBondContact O-N 2.93Å; L702-E707 HydrophobicContact CB-CB 4.36Å; L702-E707 HydrophobicContact CD2-CB 4.07Å; L702-E707 PolarHBondContact O-N 2.8Å; L702-E710 HydrophobicContact CD1-CB 4.07Å; L702-A711 HydrophobicContact CB-CB 3.7Å; L702-Y714 HydrophobicContact CD1-CD2 3.31Å; L702-Y714 HydrophobicContact CD1-CE2 3.49Å; L702-Y714 VanDerWaalsContact CD1-CE2 3.49Å; L702-Y714 HydrophobicContact CD1-CG 4.28Å
703S94.6Very high96.1Very high14 Ų1447.9 Ų47.910%0.09825%0.249CC..Hα-helixtrans-58.8-46.6171.7-170.20000111.6G699 K700 L701 I705 G706 Q739G699-S703 PolarHBondContact O-N 3.32Å; K700-S703 WeakPolarHBondContact O-CB 3.41Å; K700-S703 PolarHBondContact O-N 3.22Å; L701-S703 VanDerWaalsContact C-N 3.33Å; L701-S703 PolarHBondContact O-N 3.14Å; S703-I705 PolarHBondContact O-N 2.83Å; S703-G706 PolarHBondContact O-N 2.74Å; S703-G706 VanDerWaalsContact O-N 3.16Å; S703-Q739 PolarHBondContact OG-NE2 2.88Å
704I92.9Very high96.2Very high93 Ų9348 Ų4848%0.47724%0.242SC..Hα-helixtrans-64-40.3-178.4-68.3165.1000112.3L674 K700 L701 G706L674-I704 HydrophobicContact CD1-CG2 4.2Å; K700-I704 HydrophobicContact CG-CD1 4.24Å; K700-I704 WeakPolarHBondContact O-CG1 3.32Å; K700-I704 PolarHBondContact O-N 2.87Å; K700-I704 VanDerWaalsContact O-N 3.13Å; L701-I704 PolarHBondContact O-N 3.44Å; L701-I704 VanDerWaalsContact O-N 3.16Å; I704-G706 VanDerWaalsContact C-N 3.26Å; I704-G706 PolarHBondContact O-N 3.44Å
705I94.1Very high96.2Very high89 Ų8948.3 Ų48.346%0.45624%0.243SC..Hα-helixtrans-79.9-4.9177.769.4176.7000113.6L674 L701 L702 S703 E707L674-I705 HydrophobicContact CD1-CG2 4.06Å; L701-I705 HydrophobicContact CD1-CG2 4.47Å; L701-I705 PolarHBondContact O-N 2.95Å; L702-I705 HydrophobicContact CD2-CD1 3.97Å; L702-I705 WeakPolarHBondContact O-CG1 3.32Å; L702-I705 PolarHBondContact O-N 2.78Å; S703-I705 PolarHBondContact O-N 2.83Å; I705-E707 HydrophobicContact CD1-CB 4.38Å; I705-E707 HydrophobicContact CD1-CG 3.93Å; I705-E707 HydrophobicContact CG1-CB 4.18Å; I705-E707 HydrophobicContact CG1-CG 3.98Å
706G92.9Very high96.2Very high44 Ų4451.4 Ų51.445%0.45426%0.259SS..THydrogen-bonded Turntrans95.5-1.1177.300000115.9L702 S703 I704 K708L702-G706 PolarHBondContact O-N 2.93Å; S703-G706 PolarHBondContact O-N 2.74Å; S703-G706 VanDerWaalsContact O-N 3.16Å; I704-G706 VanDerWaalsContact C-N 3.26Å; I704-G706 PolarHBondContact O-N 3.44Å; G706-K708 PolarHBondContact O-N 3.17Å
707E95.4Very high96.2Very high100 Ų10056.1 Ų56.147%0.46728%0.275SS..  trans-8057179.5-68-65.9175.800111.9L702 I705 T709 E710 A711L702-E707 HydrophobicContact CB-CB 4.36Å; L702-E707 HydrophobicContact CD2-CB 4.07Å; L702-E707 PolarHBondContact O-N 2.8Å; I705-E707 HydrophobicContact CD1-CB 4.38Å; I705-E707 HydrophobicContact CD1-CG 3.93Å; I705-E707 HydrophobicContact CG1-CB 4.18Å; I705-E707 HydrophobicContact CG1-CG 3.98Å; E707-T709 VanDerWaalsContact C-N 3.34Å; E707-T709 PolarHBondContact O-N 3.09Å; E707-E710 PolarHBondContact O-N 3.06Å; E707-A711 PolarHBondContact O-N 3.06Å
708K94.8Very high96.2Very high102 Ų10255.5 Ų55.544%0.44327%0.272SS..Hα-helixtrans-58.5-39.3-169.5-65.8164.3175.4-137.10113.5G706 A711 E712 F735G706-K708 PolarHBondContact O-N 3.17Å; K708-A711 WeakPolarHBondContact O-CB 3.48Å; K708-A711 PolarHBondContact O-N 3.21Å; K708-E712 PolarHBondContact O-N 3.42Å; K708-E712 VanDerWaalsContact O-N 3.08Å; K708-F735 WeakPolarHBondContact O-CZ 3.32Å
709T95.2Very high96.2Very high96 Ų9655.3 Ų55.359%0.58927%0.272SS*.Hα-helixtrans-69.6-33-179.545.50000112.9E707 K713E707-T709 VanDerWaalsContact C-N 3.34Å; E707-T709 PolarHBondContact O-N 3.09Å; T709-K713 WeakPolarHBondContact O-CG 3.34Å
710E96.3Very high96.2Very high73 Ų7360.9 Ų60.934%0.34130%0.298SS..Hα-helixtrans-77.7-41.3171.7-62.5-50125.100110.8L702 E707 E712 K713 Y714L702-E710 HydrophobicContact CD1-CB 4.07Å; E707-E710 PolarHBondContact O-N 3.06Å; E710-E712 VanDerWaalsContact C-N 3.29Å; E710-E712 PolarHBondContact O-N 3.47Å; E710-K713 WeakPolarHBondContact O-CB 3.42Å; E710-K713 PolarHBondContact O-N 3.11Å; E710-K713 WeakPolarHBondContact OE1-CE 3.33Å; E710-K713 IonicContact OE1-NZ 2.74Å; E710-K713 PolarHBondContact OE1-NZ 3.16Å; E710-K713 WeakPolarHBondContact OE2-CD 3.41Å; E710-K713 IonicContact OE2-NZ 3.3Å; E710-K713 PolarHBondContact OE2-NZ 3.37Å; E710-Y714 VanDerWaalsContact O-CD2 3.28Å; E710-Y714 WeakPolarHBondContact O-CD2 3.32Å; E710-Y714 PolarHBondContact O-N 2.89Å
711A97.1Very high96.2Very high0 Ų058.7 Ų58.70%029%0.291CS..Hα-helixtrans-50.6-48.3176.200000112.3G699 L702 E707 K708 K713 Y714 Y715 F735G699-A711 VanDerWaalsContact O-CB 3.32Å; G699-A711 WeakPolarHBondContact O-CB 3.49Å; L702-A711 HydrophobicContact CB-CB 3.7Å; E707-A711 PolarHBondContact O-N 3.06Å; K708-A711 WeakPolarHBondContact O-CB 3.48Å; K708-A711 PolarHBondContact O-N 3.21Å; A711-K713 VanDerWaalsContact C-N 3.32Å; A711-K713 PolarHBondContact O-N 3.01Å; A711-Y714 PolarHBondContact O-N 3.2Å; A711-Y714 VanDerWaalsContact O-N 3.12Å; A711-Y715 HydrophobicContact CB-CE2 4.48Å; A711-Y715 WeakPolarHBondContact O-CD2 3.44Å; A711-Y715 PolarHBondContact O-N 3.44Å; A711-Y715 VanDerWaalsContact O-N 3.16Å; A711-F735 HydrophobicContact CB-CD2 4.4Å; A711-F735 HydrophobicContact CB-CE2 3.72Å; A711-F735 HydrophobicContact CB-CZ 4.15Å
712E97.2Very high96.1Very high49 Ų4960.4 Ų60.423%0.22930%0.3CS..Hα-helixtrans-58.1-39177.6-175.1154.4-150.900112.9K708 E710 Y714 Y715 M716 Y732 F735 R741K708-E712 PolarHBondContact O-N 3.42Å; K708-E712 VanDerWaalsContact O-N 3.08Å; E710-E712 VanDerWaalsContact C-N 3.29Å; E710-E712 PolarHBondContact O-N 3.47Å; E712-Y714 VanDerWaalsContact C-N 3.35Å; E712-Y714 PolarHBondContact O-N 3.37Å; E712-Y715 PolarHBondContact O-N 3.41Å; E712-M716 WeakPolarHBondContact O-CB 3.03Å; E712-M716 WeakPolarHBondContact O-CG 3.33Å; E712-M716 PolarHBondContact O-N 3.07Å; E712-Y732 HydrophobicContact CG-CE2 3.97Å; E712-Y732 PolarHBondContact OE1-OH 3.13Å; E712-F735 HydrophobicContact CB-CE1 3.75Å; E712-F735 HydrophobicContact CB-CZ 3.99Å; E712-F735 HydrophobicContact CG-CE1 4.17Å; E712-R741 VanDerWaalsContact CD-NH1 3.31Å; E712-R741 IonicContact OE1-CZ 3.47Å; E712-R741 VanDerWaalsContact OE1-CZ 3.3Å; E712-R741 IonicContact OE1-NH1 2.92Å; E712-R741 PolarHBondContact OE1-NH1 3.39Å; E712-R741 IonicContact OE1-NH2 2.72Å; E712-R741 PolarHBondContact OE1-NH2 2.82Å; E712-R741 IonicContact OE2-NH1 3.62Å; E712-R741 PolarHBondContact OE2-NH1 3.02Å; E712-R741 VanDerWaalsContact OE2-NH1 3.17Å
713K97.8Very high96Very high117 Ų11763 Ų6351%0.50932%0.317SS..Hα-helixtrans-64-38.3176-64.6172.1-168.71690112.4T709 E710 A711 R717T709-K713 WeakPolarHBondContact O-CG 3.34Å; E710-K713 WeakPolarHBondContact O-CB 3.42Å; E710-K713 PolarHBondContact O-N 3.11Å; E710-K713 WeakPolarHBondContact OE1-CE 3.33Å; E710-K713 IonicContact OE1-NZ 2.74Å; E710-K713 PolarHBondContact OE1-NZ 3.16Å; E710-K713 WeakPolarHBondContact OE2-CD 3.41Å; E710-K713 IonicContact OE2-NZ 3.3Å; E710-K713 PolarHBondContact OE2-NZ 3.37Å; A711-K713 VanDerWaalsContact C-N 3.32Å; A711-K713 PolarHBondContact O-N 3.01Å; K713-R717 VanDerWaalsContact O-CB 3.25Å; K713-R717 WeakPolarHBondContact O-CB 3.27Å; K713-R717 PolarHBondContact O-N 3.5Å
714Y97.9Very high95.9Very high63 Ų6367.1 Ų67.125%0.24734%0.342CS..Hα-helixtrans-68.9-40.7178.6-78.6-81.1000111.8L685 H695 Y698 L702 E710 A711 E712 R717 A718L685-Y714 HydrophobicContact CD1-CD1 4.29Å; L685-Y714 HydrophobicContact CD1-CE1 3.78Å; H695-Y714 HydrophobicContact CB-CD1 4.48Å; H695-Y714 AromaticContact ND1-CD1 3.38Å; H695-Y714 WeakPolarHBondContact ND1-CD1 3.25Å; H695-Y714 AromaticContact ND1-CE1 3.94Å; Y698-Y714 HydrophobicContact CD1-CD1 4.03Å; Y698-Y714 HydrophobicContact CD1-CD2 4.21Å; Y698-Y714 AromaticContact CD1-CE1 3.66Å; Y698-Y714 HydrophobicContact CD1-CE1 3.66Å; Y698-Y714 AromaticContact CD1-CE2 3.84Å; Y698-Y714 HydrophobicContact CD1-CE2 3.84Å; Y698-Y714 HydrophobicContact CD1-CG 4.32Å; Y698-Y714 AromaticContact CD1-CZ 3.56Å; Y698-Y714 HydrophobicContact CE1-CE1 4.16Å; Y698-Y714 AromaticContact CE1-CE2 3.85Å; Y698-Y714 HydrophobicContact CE1-CE2 3.85Å; Y698-Y714 AromaticContact CE1-CZ 3.6Å; L702-Y714 HydrophobicContact CD1-CD2 3.31Å; L702-Y714 HydrophobicContact CD1-CE2 3.49Å; L702-Y714 VanDerWaalsContact CD1-CE2 3.49Å; L702-Y714 HydrophobicContact CD1-CG 4.28Å; E710-Y714 VanDerWaalsContact O-CD2 3.28Å; E710-Y714 WeakPolarHBondContact O-CD2 3.32Å; E710-Y714 PolarHBondContact O-N 2.89Å; A711-Y714 PolarHBondContact O-N 3.2Å; A711-Y714 VanDerWaalsContact O-N 3.12Å; E712-Y714 VanDerWaalsContact C-N 3.35Å; E712-Y714 PolarHBondContact O-N 3.37Å; Y714-R717 PolarHBondContact O-N 2.94Å; Y714-A718 PolarHBondContact O-N 3.02Å
715Y97.8Very high95.7Very high5 Ų567.3 Ų67.32%0.0234%0.339CS..Hα-helixtrans-63.1-47.1172.2-69.8-62.3000112.6L696 K700 A711 E712 R717 A718 I719 H731 Y732 F735L696-Y715 HydrophobicContact CD2-CD1 3.84Å; L696-Y715 HydrophobicContact CD2-CE1 4.26Å; K700-Y715 WeakPolarHBondContact CA-OH 3.26Å; K700-Y715 WeakPolarHBondContact CB-OH 3.29Å; K700-Y715 PolarHBondContact N-OH 2.88Å; K700-Y715 VanDerWaalsContact N-OH 3.13Å; A711-Y715 HydrophobicContact CB-CE2 4.48Å; A711-Y715 WeakPolarHBondContact O-CD2 3.44Å; A711-Y715 PolarHBondContact O-N 3.44Å; A711-Y715 VanDerWaalsContact O-N 3.16Å; E712-Y715 PolarHBondContact O-N 3.41Å; Y715-R717 PolarHBondContact O-N 3.5Å; Y715-A718 WeakPolarHBondContact O-CB 3.29Å; Y715-A718 PolarHBondContact O-N 3.2Å; Y715-A718 VanDerWaalsContact O-N 3.17Å; Y715-I719 PolarHBondContact O-N 3.45Å; Y715-I719 VanDerWaalsContact O-N 3.14Å; Y715-H731 HydrophobicContact CD1-CB 4.33Å; Y715-H731 HydrophobicContact CE1-CB 4.04Å; Y715-Y732 VanDerWaalsContact CB-CD2 3.46Å; Y715-Y732 HydrophobicContact CD2-CD2 4.28Å; Y715-Y732 HydrophobicContact CG-CD2 4.02Å; Y715-F735 HydrophobicContact CD2-CB 3.92Å; Y715-F735 AromaticContact CD2-CD1 3.97Å; Y715-F735 HydrophobicContact CD2-CD1 3.97Å; Y715-F735 HydrophobicContact CD2-CD2 4.19Å; Y715-F735 AromaticContact CD2-CG 3.75Å; Y715-F735 HydrophobicContact CD2-CG 3.75Å; Y715-F735 HydrophobicContact CE2-CB 3.48Å; Y715-F735 VanDerWaalsContact CE2-CB 3.48Å; Y715-F735 HydrophobicContact CE2-CD1 4.18Å; Y715-F735 AromaticContact CE2-CD2 3.63Å; Y715-F735 HydrophobicContact CE2-CD2 3.63Å; Y715-F735 HydrophobicContact CE2-CE2 4.4Å; Y715-F735 AromaticContact CE2-CG 3.48Å; Y715-F735 HydrophobicContact CE2-CG 3.48Å; Y715-F735 VanDerWaalsContact CE2-CG 3.48Å
716M97.4Very high95.6Very high78 Ų7863 Ų6338%0.38432%0.318SS..Hα-helixtrans-60.8-34.7174.5-72.9-65-72.400111.9E712 I719 Q720 Y732E712-M716 WeakPolarHBondContact O-CB 3.03Å; E712-M716 WeakPolarHBondContact O-CG 3.33Å; E712-M716 PolarHBondContact O-N 3.07Å; M716-I719 PolarHBondContact O-N 3.35Å; M716-Q720 VanDerWaalsContact O-CG 3.3Å; M716-Q720 WeakPolarHBondContact O-CG 3.46Å; M716-Q720 PolarHBondContact O-N 2.82Å; M716-Y732 HydrophobicContact CG-CE1 4.39Å; M716-Y732 HydrophobicContact SD-CD1 4.23Å; M716-Y732 HydrophobicContact SD-CE1 3.52Å; M716-Y732 VanDerWaalsContact SD-CE1 3.52Å
717R97.7Very high95.5Very high110 Ų11063.5 Ų63.542%0.41531%0.31SS..Hα-helixtrans-68.8-38.9175.6-17356.3178.5171.44.8112.3K713 Y714 Y715 I719 Q720 L721K713-R717 VanDerWaalsContact O-CB 3.25Å; K713-R717 WeakPolarHBondContact O-CB 3.27Å; K713-R717 PolarHBondContact O-N 3.5Å; Y714-R717 PolarHBondContact O-N 2.94Å; Y715-R717 PolarHBondContact O-N 3.5Å; R717-I719 VanDerWaalsContact C-N 3.32Å; R717-I719 PolarHBondContact O-N 2.95Å; R717-Q720 PolarHBondContact O-N 2.93Å; R717-L721 HydrophobicContact CG-CD1 4.23Å; R717-L721 HydrophobicContact CG-CG 4.49Å; R717-L721 VanDerWaalsContact O-CG 3.26Å; R717-L721 WeakPolarHBondContact O-CG 3.47Å; R717-L721 PolarHBondContact O-N 3Å
718A97Very high95.4Very high0 Ų058.7 Ų58.70%029%0.287CS..Hα-helixtrans-59.2-43.3173.400000111.8I692 H695 L696 Y714 Y715 L721 D722I692-A718 HydrophobicContact CG2-CB 4.24Å; H695-A718 HydrophobicContact CB-CB 4.06Å; L696-A718 HydrophobicContact CD2-CB 3.49Å; L696-A718 VanDerWaalsContact CD2-CB 3.49Å; L696-A718 HydrophobicContact CG-CB 3.95Å; Y714-A718 PolarHBondContact O-N 3.02Å; Y715-A718 WeakPolarHBondContact O-CB 3.29Å; Y715-A718 PolarHBondContact O-N 3.2Å; Y715-A718 VanDerWaalsContact O-N 3.17Å; A718-L721 PolarHBondContact O-N 3.42Å; A718-D722 PolarHBondContact O-N 3.45Å
719I97Very high95.5Very high19 Ų1955.1 Ų55.110%0.09727%0.271CS..Hα-helixtrans-65.9-39.7175.1-65.2168.7000111.7Y715 M716 R717 L721 D722 P723 C728 Y729 Y732Y715-I719 PolarHBondContact O-N 3.45Å; Y715-I719 VanDerWaalsContact O-N 3.14Å; M716-I719 PolarHBondContact O-N 3.35Å; R717-I719 VanDerWaalsContact C-N 3.32Å; R717-I719 PolarHBondContact O-N 2.95Å; I719-L721 VanDerWaalsContact C-N 3.29Å; I719-L721 PolarHBondContact O-N 2.9Å; I719-D722 CarbonylContact O-C 3.51Å; I719-D722 PolarHBondContact O-N 3.2Å; I719-P723 WeakPolarHBondContact O-CA 3.33Å; I719-P723 WeakPolarHBondContact O-CD 3.25Å; I719-P723 WeakPolarHBondContact O-CG 3.31Å; I719-C728 HydrophobicContact CG1-CB 3.78Å; I719-Y729 HydrophobicContact CD1-CD1 3.94Å; I719-Y729 HydrophobicContact CD1-CE1 4.16Å; I719-Y729 HydrophobicContact CD1-CG 4.35Å; I719-Y729 HydrophobicContact CG1-CD1 4.41Å; I719-Y729 HydrophobicContact CG1-CE1 4.43Å; I719-Y729 HydrophobicContact CG2-CE1 3.77Å; I719-Y729 HydrophobicContact CG2-CE2 4.21Å; I719-Y732 HydrophobicContact CD1-CD1 3.6Å; I719-Y732 HydrophobicContact CD1-CE1 4.47Å; I719-Y732 HydrophobicContact CD1-CG 4.12Å
720Q97.2Very high95.5Very high117 Ų11751.4 Ų51.455%0.54725%0.247SC..Hα-helixtrans-65-31175.8-74.8171.58.900113.7M716 R717M716-Q720 VanDerWaalsContact O-CG 3.3Å; M716-Q720 WeakPolarHBondContact O-CG 3.46Å; M716-Q720 PolarHBondContact O-N 2.82Å; R717-Q720 PolarHBondContact O-N 2.93Å
721L96.5Very high95.5Very high49 Ų4950.7 Ų50.726%0.25724%0.244SC..Hα-helixtrans-76-35.2179.7-72.6169.2000112D690 I692 R717 A718 I719D690-L721 HydrophobicContact CB-CD1 4.49Å; D690-L721 HydrophobicContact CB-CD2 3.85Å; I692-L721 HydrophobicContact CD1-CB 4.05Å; I692-L721 HydrophobicContact CG1-CB 3.78Å; I692-L721 HydrophobicContact CG1-CD1 4.09Å; R717-L721 HydrophobicContact CG-CD1 4.23Å; R717-L721 HydrophobicContact CG-CG 4.49Å; R717-L721 VanDerWaalsContact O-CG 3.26Å; R717-L721 WeakPolarHBondContact O-CG 3.47Å; R717-L721 PolarHBondContact O-N 3Å; A718-L721 PolarHBondContact O-N 3.42Å; I719-L721 VanDerWaalsContact C-N 3.29Å; I719-L721 PolarHBondContact O-N 2.9Å
722D94.2Very high95.5Very high39 Ų3951.5 Ų51.521%0.20925%0.247CC..  trans-14592.6172.1-173.5-11.9000110.9I692 A718 I719 T724 K725I692-D722 HydrophobicContact CD1-CB 3.5Å; I692-D722 VanDerWaalsContact CD1-CB 3.5Å; A718-D722 PolarHBondContact O-N 3.45Å; I719-D722 CarbonylContact O-C 3.51Å; I719-D722 PolarHBondContact O-N 3.2Å; D722-T724 PolarHBondContact O-N 3.49Å; D722-T724 WeakPolarHBondContact OD1-CA 3.24Å; D722-T724 PolarHBondContact OD1-N 3.37Å; D722-T724 PolarHBondContact OD1-OG1 2.97Å; D722-K725 HydrophobicContact CB-CB 4.28Å; D722-K725 PolarHBondContact OD1-N 3.3Å
723P94.8Very high95.4Very high66 Ų6649.2 Ų49.243%0.42924%0.236SC..THydrogen-bonded Turntrans-71.2-3.7177.4-18.231.5000114.2I719 Y729I719-P723 WeakPolarHBondContact O-CA 3.33Å; I719-P723 WeakPolarHBondContact O-CD 3.25Å; I719-P723 WeakPolarHBondContact O-CG 3.31Å; P723-Y729 WeakPolarHBondContact O-CE2 3.45Å; P723-Y729 PolarHBondContact O-OH 2.97Å
724T93.5Very high95.3Very high101 Ų10146.7 Ų46.762%0.6223%0.226SC*.THydrogen-bonded Turntrans-99.5-6.4-177.462.80000113.4D722D722-T724 PolarHBondContact O-N 3.49Å; D722-T724 WeakPolarHBondContact OD1-CA 3.24Å; D722-T724 PolarHBondContact OD1-N 3.37Å; D722-T724 PolarHBondContact OD1-OG1 2.97Å
725K88.9Confident95.2Very high96 Ų9643.7 Ų43.742%0.41722%0.215SC..  trans-97.7106.1-174.6-164.7161.2-163.6153.40112.1D722 N727 C728 Y729D722-K725 HydrophobicContact CB-CB 4.28Å; D722-K725 PolarHBondContact OD1-N 3.3Å; K725-N727 HydrophobicContact CG-CB 4.32Å; K725-N727 PolarHBondContact O-N 3.1Å; K725-C728 WeakPolarHBondContact O-CB 3.45Å; K725-C728 PolarHBondContact O-N 3.39Å; K725-Y729 WeakPolarHBondContact O-CD2 3.38Å
726G90.4Very high95.1Very high0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-55.8-35.2-178.600000113.5C728 Y729 M730 A752 D756G726-C728 PolarHBondContact O-N 3.41Å; G726-Y729 WeakPolarHBondContact O-CB 3.46Å; G726-Y729 PolarHBondContact O-N 3.31Å; G726-M730 PolarHBondContact O-N 3.49Å; G726-A752 WeakPolarHBondContact O-CB 3.39Å; G726-D756 WeakPolarHBondContact CA-OD2 3.47Å; G726-D756 PolarHBondContact N-OD2 3.24Å
727N90.9Very high94.9Very high53 Ų5340.8 Ų40.828%0.28320%0.201SC..Hα-helixtrans-53.9-34.7174.5-166.922.2000114.3K725 M730 H731 D756 V762K725-N727 HydrophobicContact CG-CB 4.32Å; K725-N727 PolarHBondContact O-N 3.1Å; N727-M730 PolarHBondContact O-N 3.37Å; N727-M730 WeakPolarHBondContact OD1-CE 3.49Å; N727-H731 PolarHBondContact O-CD2 3.19Å; N727-H731 VanDerWaalsContact O-CD2 3.32Å; N727-H731 PolarHBondContact O-N 2.89Å; N727-H731 VanDerWaalsContact O-N 3.1Å; N727-H731 PolarHBondContact OD1-CD2 3.5Å; N727-H731 PolarHBondContact OD1-NE2 3.34Å; N727-D756 PolarHBondContact N-OD2 2.66Å; N727-V762 HydrophobicContact CB-CG2 4.48Å
728C94.7Very high94.6Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-64.5-44176.4-67.20000111.6I719 K725 G726 Y732I719-C728 HydrophobicContact CG1-CB 3.78Å; K725-C728 WeakPolarHBondContact O-CB 3.45Å; K725-C728 PolarHBondContact O-N 3.39Å; G726-C728 PolarHBondContact O-N 3.41Å; C728-Y732 PolarHBondContact O-N 3.38Å; C728-Y732 VanDerWaalsContact O-N 3.15Å
729Y96.8Very high94.4Very high26 Ų2641.7 Ų41.710%0.10221%0.21CC..Hα-helixtrans-68.2-38.7176.3-63.4-91.4000111.6I719 P723 K725 G726 H731 Y732 G733 M748 R751 L755I719-Y729 HydrophobicContact CD1-CD1 3.94Å; I719-Y729 HydrophobicContact CD1-CE1 4.16Å; I719-Y729 HydrophobicContact CD1-CG 4.35Å; I719-Y729 HydrophobicContact CG1-CD1 4.41Å; I719-Y729 HydrophobicContact CG1-CE1 4.43Å; I719-Y729 HydrophobicContact CG2-CE1 3.77Å; I719-Y729 HydrophobicContact CG2-CE2 4.21Å; P723-Y729 WeakPolarHBondContact O-CE2 3.45Å; P723-Y729 PolarHBondContact O-OH 2.97Å; K725-Y729 WeakPolarHBondContact O-CD2 3.38Å; G726-Y729 WeakPolarHBondContact O-CB 3.46Å; G726-Y729 PolarHBondContact O-N 3.31Å; Y729-H731 PolarHBondContact O-N 3.25Å; Y729-Y732 PolarHBondContact O-N 3.41Å; Y729-G733 PolarHBondContact O-N 3.14Å; Y729-M748 HydrophobicContact CD1-SD 3.78Å; Y729-M748 HydrophobicContact CE1-SD 4.45Å; Y729-R751 HydrophobicContact CD1-CB 4.07Å; Y729-R751 HydrophobicContact CD1-CG 3.79Å; Y729-R751 HydrophobicContact CD2-CG 4.36Å; Y729-R751 HydrophobicContact CE1-CB 4.42Å; Y729-R751 HydrophobicContact CE1-CG 3.7Å; Y729-R751 HydrophobicContact CE2-CG 4.28Å; Y729-R751 HydrophobicContact CG-CB 4.37Å; Y729-R751 HydrophobicContact CG-CG 4.12Å; Y729-L755 HydrophobicContact CD2-CD1 3.65Å; Y729-L755 HydrophobicContact CE2-CD1 3.41Å; Y729-L755 VanDerWaalsContact CE2-CD1 3.41Å
730M95.3Very high94.2Very high18 Ų1845.8 Ų45.89%0.08924%0.24CC..Hα-helixtrans-57.1-50175.7-176-16374.100111.5G726 N727 G733 Q734 A752 V762 N765 M769G726-M730 PolarHBondContact O-N 3.49Å; N727-M730 PolarHBondContact O-N 3.37Å; N727-M730 WeakPolarHBondContact OD1-CE 3.49Å; M730-G733 PolarHBondContact O-N 3.45Å; M730-Q734 WeakPolarHBondContact O-CB 3.27Å; M730-Q734 PolarHBondContact O-N 2.72Å; M730-A752 HydrophobicContact CB-CB 4.12Å; M730-V762 HydrophobicContact SD-CB 4.43Å; M730-V762 HydrophobicContact SD-CG2 4.17Å; M730-N765 HydrophobicContact CG-CB 3.8Å; M730-N765 HydrophobicContact SD-CB 3.76Å; M730-M769 HydrophobicContact CG-CE 4.17Å
731H95.3Very high94.2Very high59 Ų5943.4 Ų43.427%0.27323%0.226SC..Hα-helixtrans-66-37.2179.2-83.6-66.2000113L696 Y715 N727 Y729 F735L696-H731 HydrophobicContact CD2-CB 3.93Å; Y715-H731 HydrophobicContact CD1-CB 4.33Å; Y715-H731 HydrophobicContact CE1-CB 4.04Å; N727-H731 PolarHBondContact O-CD2 3.19Å; N727-H731 VanDerWaalsContact O-CD2 3.32Å; N727-H731 PolarHBondContact O-N 2.89Å; N727-H731 VanDerWaalsContact O-N 3.1Å; N727-H731 PolarHBondContact OD1-CD2 3.5Å; N727-H731 PolarHBondContact OD1-NE2 3.34Å; Y729-H731 PolarHBondContact O-N 3.25Å; H731-F735 PolarHBondContact O-N 2.88Å; H731-F735 VanDerWaalsContact O-N 3.17Å
732Y97.1Very high94Very high17 Ų1743.4 Ų43.47%0.06723%0.229CC..Hα-helixtrans-69.6-42.2176-176.5-141.1000112.3E712 Y715 M716 I719 C728 Y729 Q734 F735 L736 M748E712-Y732 HydrophobicContact CG-CE2 3.97Å; E712-Y732 PolarHBondContact OE1-OH 3.13Å; Y715-Y732 VanDerWaalsContact CB-CD2 3.46Å; Y715-Y732 HydrophobicContact CD2-CD2 4.28Å; Y715-Y732 HydrophobicContact CG-CD2 4.02Å; M716-Y732 HydrophobicContact CG-CE1 4.39Å; M716-Y732 HydrophobicContact SD-CD1 4.23Å; M716-Y732 HydrophobicContact SD-CE1 3.52Å; M716-Y732 VanDerWaalsContact SD-CE1 3.52Å; I719-Y732 HydrophobicContact CD1-CD1 3.6Å; I719-Y732 HydrophobicContact CD1-CE1 4.47Å; I719-Y732 HydrophobicContact CD1-CG 4.12Å; C728-Y732 PolarHBondContact O-N 3.38Å; C728-Y732 VanDerWaalsContact O-N 3.15Å; Y729-Y732 PolarHBondContact O-N 3.41Å; Y732-Q734 VanDerWaalsContact C-N 3.32Å; Y732-Q734 PolarHBondContact O-N 3.22Å; Y732-F735 AromaticContact CD2-CD1 3.93Å; Y732-F735 HydrophobicContact CD2-CD1 3.93Å; Y732-F735 AromaticContact CE2-CD1 3.93Å; Y732-F735 HydrophobicContact CE2-CD1 3.93Å; Y732-F735 HydrophobicContact CE2-CE1 4.27Å; Y732-F735 WeakPolarHBondContact O-CB 3.47Å; Y732-F735 PolarHBondContact O-N 2.84Å; Y732-L736 HydrophobicContact CD1-CD1 4.18Å; Y732-L736 HydrophobicContact CD2-CD1 4.36Å; Y732-L736 HydrophobicContact CD2-CG 4.22Å; Y732-L736 HydrophobicContact CE1-CD1 3.93Å; Y732-L736 HydrophobicContact CE2-CD1 4.12Å; Y732-L736 HydrophobicContact CE2-CD2 4.01Å; Y732-L736 HydrophobicContact CE2-CG 3.93Å; Y732-L736 HydrophobicContact CG-CD1 4.39Å; Y732-L736 WeakPolarHBondContact O-CG 3.4Å; Y732-L736 PolarHBondContact O-N 2.86Å; Y732-M748 HydrophobicContact CD1-CG 3.79Å; Y732-M748 HydrophobicContact CD1-SD 3.6Å; Y732-M748 HydrophobicContact CE1-CG 4.22Å; Y732-M748 HydrophobicContact CE1-SD 3.92Å
733G95.8Very high94Very high0 Ų049.7 Ų49.70%026%0.255CS..Hα-helixtrans-59.8-40.9174.100000112.7Y729 M730 F735 L736 L737 A745 M769Y729-G733 PolarHBondContact O-N 3.14Å; M730-G733 PolarHBondContact O-N 3.45Å; G733-F735 PolarHBondContact O-N 3.46Å; G733-L736 WeakPolarHBondContact O-CB 3.01Å; G733-L736 PolarHBondContact O-N 2.69Å; G733-L736 VanDerWaalsContact O-N 3.16Å; G733-L737 PolarHBondContact O-N 2.99Å; G733-A745 WeakPolarHBondContact O-CB 3.44Å; G733-M769 VanDerWaalsContact CA-SD 3.59Å
734Q94.7Very high94.1Very high64 Ų6450.1 Ų50.130%0.29925%0.251SS..Hα-helixtrans-61.5-43174.3177.256.137.800111.8M730 Y732 L736 L737 E738 M769M730-Q734 WeakPolarHBondContact O-CB 3.27Å; M730-Q734 PolarHBondContact O-N 2.72Å; Y732-Q734 VanDerWaalsContact C-N 3.32Å; Y732-Q734 PolarHBondContact O-N 3.22Å; Q734-L736 PolarHBondContact O-N 3.44Å; Q734-L737 PolarHBondContact O-N 3.25Å; Q734-E738 PolarHBondContact NE2-OE1 3.01Å; Q734-E738 WeakPolarHBondContact O-CG 3.41Å; Q734-E738 PolarHBondContact O-N 3.48Å; Q734-M769 PolarHBondContact N-SD 3.19Å; Q734-M769 VanDerWaalsContact N-SD 3.45Å
735F95.8Very high94.2Very high1 Ų145.3 Ų45.30%0.00422%0.222CC..Hα-helixtrans-60.7-42172.1164.2-97000112.2K708 A711 E712 Y715 H731 Y732 G733 L737 E738 Q739K708-F735 WeakPolarHBondContact O-CZ 3.32Å; A711-F735 HydrophobicContact CB-CD2 4.4Å; A711-F735 HydrophobicContact CB-CE2 3.72Å; A711-F735 HydrophobicContact CB-CZ 4.15Å; E712-F735 HydrophobicContact CB-CE1 3.75Å; E712-F735 HydrophobicContact CB-CZ 3.99Å; E712-F735 HydrophobicContact CG-CE1 4.17Å; Y715-F735 HydrophobicContact CD2-CB 3.92Å; Y715-F735 AromaticContact CD2-CD1 3.97Å; Y715-F735 HydrophobicContact CD2-CD1 3.97Å; Y715-F735 HydrophobicContact CD2-CD2 4.19Å; Y715-F735 AromaticContact CD2-CG 3.75Å; Y715-F735 HydrophobicContact CD2-CG 3.75Å; Y715-F735 HydrophobicContact CE2-CB 3.48Å; Y715-F735 VanDerWaalsContact CE2-CB 3.48Å; Y715-F735 HydrophobicContact CE2-CD1 4.18Å; Y715-F735 AromaticContact CE2-CD2 3.63Å; Y715-F735 HydrophobicContact CE2-CD2 3.63Å; Y715-F735 HydrophobicContact CE2-CE2 4.4Å; Y715-F735 AromaticContact CE2-CG 3.48Å; Y715-F735 HydrophobicContact CE2-CG 3.48Å; Y715-F735 VanDerWaalsContact CE2-CG 3.48Å; H731-F735 PolarHBondContact O-N 2.88Å; H731-F735 VanDerWaalsContact O-N 3.17Å; Y732-F735 AromaticContact CD2-CD1 3.93Å; Y732-F735 HydrophobicContact CD2-CD1 3.93Å; Y732-F735 AromaticContact CE2-CD1 3.93Å; Y732-F735 HydrophobicContact CE2-CD1 3.93Å; Y732-F735 HydrophobicContact CE2-CE1 4.27Å; Y732-F735 WeakPolarHBondContact O-CB 3.47Å; Y732-F735 PolarHBondContact O-N 2.84Å; G733-F735 PolarHBondContact O-N 3.46Å; F735-L737 VanDerWaalsContact C-N 3.32Å; F735-L737 PolarHBondContact O-N 2.86Å; F735-E738 WeakPolarHBondContact O-CB 3.49Å; F735-E738 PolarHBondContact O-N 2.95Å; F735-E738 VanDerWaalsContact O-N 3.15Å; F735-Q739 HydrophobicContact CD1-CG 4.41Å; F735-Q739 HydrophobicContact CD2-CG 4.3Å; F735-Q739 HydrophobicContact CE1-CG 3.95Å; F735-Q739 HydrophobicContact CE2-CG 3.83Å; F735-Q739 VanDerWaalsContact CE2-NE2 3.29Å; F735-Q739 HydrophobicContact CZ-CG 3.64Å; F735-Q739 WeakPolarHBondContact O-CG 3.49Å; F735-Q739 PolarHBondContact O-N 2.79Å
736L96.2Very high94.5Very high1 Ų141 Ų411%0.00520%0.203CC..Hα-helixtrans-62.6-36.1177.8-69.9168.2000112.4Y732 G733 Q734 Q739 S740 R741 E744 A745 M748Y732-L736 HydrophobicContact CD1-CD1 4.18Å; Y732-L736 HydrophobicContact CD2-CD1 4.36Å; Y732-L736 HydrophobicContact CD2-CG 4.22Å; Y732-L736 HydrophobicContact CE1-CD1 3.93Å; Y732-L736 HydrophobicContact CE2-CD1 4.12Å; Y732-L736 HydrophobicContact CE2-CD2 4.01Å; Y732-L736 HydrophobicContact CE2-CG 3.93Å; Y732-L736 HydrophobicContact CG-CD1 4.39Å; Y732-L736 WeakPolarHBondContact O-CG 3.4Å; Y732-L736 PolarHBondContact O-N 2.86Å; G733-L736 WeakPolarHBondContact O-CB 3.01Å; G733-L736 PolarHBondContact O-N 2.69Å; G733-L736 VanDerWaalsContact O-N 3.16Å; Q734-L736 PolarHBondContact O-N 3.44Å; L736-Q739 CarbonylContact O-C 3.56Å; L736-Q739 PolarHBondContact O-N 3.4Å; L736-S740 PolarHBondContact O-N 2.99Å; L736-R741 HydrophobicContact CB-CB 4.33Å; L736-R741 HydrophobicContact CD2-CB 4.31Å; L736-R741 WeakPolarHBondContact O-CA 3.36Å; L736-R741 WeakPolarHBondContact O-CB 3.24Å; L736-R741 PolarHBondContact O-N 2.92Å; L736-E744 HydrophobicContact CD1-CB 3.93Å; L736-E744 HydrophobicContact CD2-CB 4.5Å; L736-A745 HydrophobicContact CB-CB 3.88Å; L736-M748 HydrophobicContact CD1-CG 3.76Å
737L92.5Very high94.8Very high20 Ų2046.7 Ų46.711%0.10523%0.23CC..Hα-helixtrans-64.3-43171.4-69.1172.5000112.6G733 Q734 F735 Q739 S740 P742 A745 M769 Q772G733-L737 PolarHBondContact O-N 2.99Å; Q734-L737 PolarHBondContact O-N 3.25Å; F735-L737 VanDerWaalsContact C-N 3.32Å; F735-L737 PolarHBondContact O-N 2.86Å; L737-Q739 PolarHBondContact O-N 3.24Å; L737-S740 WeakPolarHBondContact O-CA 3.36Å; L737-S740 PolarHBondContact O-N 3.42Å; L737-P742 HydrophobicContact CD2-CB 3.95Å; L737-A745 HydrophobicContact CD2-CB 3.65Å; L737-A745 HydrophobicContact CG-CB 3.6Å; L737-M769 HydrophobicContact CD1-CB 3.83Å; L737-M769 HydrophobicContact CD1-CG 3.53Å; L737-M769 HydrophobicContact CD1-SD 4.15Å; L737-Q772 HydrophobicContact CD2-CB 4.02Å
738E91.4Very high95.1Very high94 Ų9445.9 Ų45.944%0.43923%0.225SC..Hα-helixtrans-62.1-26.7175-68.5166.2-163.400112Q734 F735 S740Q734-E738 PolarHBondContact NE2-OE1 3.01Å; Q734-E738 WeakPolarHBondContact O-CG 3.41Å; Q734-E738 PolarHBondContact O-N 3.48Å; F735-E738 WeakPolarHBondContact O-CB 3.49Å; F735-E738 PolarHBondContact O-N 2.95Å; F735-E738 VanDerWaalsContact O-N 3.15Å; E738-S740 VanDerWaalsContact C-N 3.33Å
739Q93.5Very high95.1Very high35 Ų3545.9 Ų45.916%0.16423%0.225CC..THydrogen-bonded Turntrans-87.910.1171.1-53.6-36.4-47.600114.5S703 F735 L736 L737 R741S703-Q739 PolarHBondContact OG-NE2 2.88Å; F735-Q739 HydrophobicContact CD1-CG 4.41Å; F735-Q739 HydrophobicContact CD2-CG 4.3Å; F735-Q739 HydrophobicContact CE1-CG 3.95Å; F735-Q739 HydrophobicContact CE2-CG 3.83Å; F735-Q739 VanDerWaalsContact CE2-NE2 3.29Å; F735-Q739 HydrophobicContact CZ-CG 3.64Å; F735-Q739 WeakPolarHBondContact O-CG 3.49Å; F735-Q739 PolarHBondContact O-N 2.79Å; L736-Q739 CarbonylContact O-C 3.56Å; L736-Q739 PolarHBondContact O-N 3.4Å; L737-Q739 PolarHBondContact O-N 3.24Å; Q739-R741 VanDerWaalsContact C-N 3.28Å; Q739-R741 PolarHBondContact O-N 3.28Å
740S93.6Very high95Very high106 Ų10648.7 Ų48.774%0.74124%0.239SC*.THydrogen-bonded Turntrans5834.1-177.4-57.90000114.2L736 L737 E738 P742L736-S740 PolarHBondContact O-N 2.99Å; L737-S740 WeakPolarHBondContact O-CA 3.36Å; L737-S740 PolarHBondContact O-N 3.42Å; E738-S740 VanDerWaalsContact C-N 3.33Å; S740-P742 WeakPolarHBondContact O-CD 3.46Å
741R95.5Very high95Very high66 Ų6652.8 Ų52.825%0.24925%0.254CS..  trans-108.862.1175.9-70161.266.8-168.3-4.7111.6E712 L736 Q739 K743 E744 A745E712-R741 VanDerWaalsContact CD-NH1 3.31Å; E712-R741 IonicContact OE1-CZ 3.47Å; E712-R741 VanDerWaalsContact OE1-CZ 3.3Å; E712-R741 IonicContact OE1-NH1 2.92Å; E712-R741 PolarHBondContact OE1-NH1 3.39Å; E712-R741 IonicContact OE1-NH2 2.72Å; E712-R741 PolarHBondContact OE1-NH2 2.82Å; E712-R741 IonicContact OE2-NH1 3.62Å; E712-R741 PolarHBondContact OE2-NH1 3.02Å; E712-R741 VanDerWaalsContact OE2-NH1 3.17Å; L736-R741 HydrophobicContact CB-CB 4.33Å; L736-R741 HydrophobicContact CD2-CB 4.31Å; L736-R741 WeakPolarHBondContact O-CA 3.36Å; L736-R741 WeakPolarHBondContact O-CB 3.24Å; L736-R741 PolarHBondContact O-N 2.92Å; Q739-R741 VanDerWaalsContact C-N 3.28Å; Q739-R741 PolarHBondContact O-N 3.28Å; R741-K743 VanDerWaalsContact C-N 3.32Å; R741-K743 PolarHBondContact O-N 2.91Å; R741-E744 IonicContact CZ-OE1 2.79Å; R741-E744 IonicContact CZ-OE2 3.01Å; R741-E744 IonicContact NE-OE1 3.16Å; R741-E744 PolarHBondContact NE-OE1 2.64Å; R741-E744 IonicContact NE-OE2 3.86Å; R741-E744 PolarHBondContact NE-OE2 3.08Å; R741-E744 IonicContact NH2-OE1 3.48Å; R741-E744 IonicContact NH2-OE2 2.82Å; R741-E744 PolarHBondContact NH2-OE2 3.37Å; R741-E744 PolarHBondContact O-N 2.69Å; R741-A745 PolarHBondContact O-N 3.45Å; R741-A745 VanDerWaalsContact O-N 3.1Å
742P93.9Very high95Very high49 Ų4950 Ų5032%0.31824%0.241SC..Hα-helixtrans-69-23-168.829.1-37.5000114.9L737 S740 A746 A773L737-P742 HydrophobicContact CD2-CB 3.95Å; S740-P742 WeakPolarHBondContact O-CD 3.46Å; P742-A746 PolarHBondContact O-N 3.01Å; P742-A773 HydrophobicContact CB-CB 4.32Å; P742-A773 WeakPolarHBondContact O-CB 3.46Å
743K93.3Very high94.9Very high171 Ų17149.2 Ų49.274%0.74324%0.238SC*.Hα-helixtrans-68.3-49.2176-68.7-175176.2-176.40111.7R741 A745 A746 E747R741-K743 VanDerWaalsContact C-N 3.32Å; R741-K743 PolarHBondContact O-N 2.91Å; K743-A745 VanDerWaalsContact C-N 3.31Å; K743-A745 PolarHBondContact O-N 2.97Å; K743-A746 WeakPolarHBondContact O-CB 3.43Å; K743-A746 PolarHBondContact O-N 3.39Å; K743-A746 VanDerWaalsContact O-N 3.14Å; K743-E747 PolarHBondContact O-N 2.88Å
744E96.1Very high94.8Very high76 Ų7654.8 Ų54.836%0.35526%0.264SS..Hα-helixtrans-67.1-35.9177.4-60.6170.8-96.600110.8L736 R741 A746 E747 M748L736-E744 HydrophobicContact CD1-CB 3.93Å; L736-E744 HydrophobicContact CD2-CB 4.5Å; R741-E744 IonicContact CZ-OE1 2.79Å; R741-E744 IonicContact CZ-OE2 3.01Å; R741-E744 IonicContact NE-OE1 3.16Å; R741-E744 PolarHBondContact NE-OE1 2.64Å; R741-E744 IonicContact NE-OE2 3.86Å; R741-E744 PolarHBondContact NE-OE2 3.08Å; R741-E744 IonicContact NH2-OE1 3.48Å; R741-E744 IonicContact NH2-OE2 2.82Å; R741-E744 PolarHBondContact NH2-OE2 3.37Å; R741-E744 PolarHBondContact O-N 2.69Å; E744-A746 VanDerWaalsContact C-N 3.28Å; E744-A746 PolarHBondContact O-N 3.49Å; E744-E747 PolarHBondContact O-N 3.49Å; E744-M748 WeakPolarHBondContact O-CG 3.47Å; E744-M748 PolarHBondContact O-N 2.93Å; E744-M748 VanDerWaalsContact O-N 3.08Å
745A96.4Very high94.8Very high0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-60.7-36.1171.700000113.1G733 L736 L737 R741 K743 M748 A749G733-A745 WeakPolarHBondContact O-CB 3.44Å; L736-A745 HydrophobicContact CB-CB 3.88Å; L737-A745 HydrophobicContact CD2-CB 3.65Å; L737-A745 HydrophobicContact CG-CB 3.6Å; R741-A745 PolarHBondContact O-N 3.45Å; R741-A745 VanDerWaalsContact O-N 3.1Å; K743-A745 VanDerWaalsContact C-N 3.31Å; K743-A745 PolarHBondContact O-N 2.97Å; A745-M748 PolarHBondContact O-N 3.41Å; A745-A749 VanDerWaalsContact O-CB 3.28Å; A745-A749 WeakPolarHBondContact O-CB 3.33Å; A745-A749 PolarHBondContact O-N 2.93Å
746A95Very high94.6Very high4 Ų456.2 Ų56.23%0.03327%0.273CS..Hα-helixtrans-66.1-42.7174.700000112.3P742 K743 E744 M748 A749 E750 L770 A773 L775P742-A746 PolarHBondContact O-N 3.01Å; K743-A746 WeakPolarHBondContact O-CB 3.43Å; K743-A746 PolarHBondContact O-N 3.39Å; K743-A746 VanDerWaalsContact O-N 3.14Å; E744-A746 VanDerWaalsContact C-N 3.28Å; E744-A746 PolarHBondContact O-N 3.49Å; A746-M748 VanDerWaalsContact C-N 3.29Å; A746-M748 PolarHBondContact O-N 3.5Å; A746-A749 WeakPolarHBondContact O-CB 3.36Å; A746-A749 PolarHBondContact O-N 3.09Å; A746-A749 VanDerWaalsContact O-N 3.08Å; A746-E750 WeakPolarHBondContact O-CG 3.47Å; A746-E750 PolarHBondContact O-N 2.85Å; A746-L770 HydrophobicContact CB-CD2 3.98Å; A746-A773 HydrophobicContact CB-CB 3.8Å; A746-L775 HydrophobicContact CB-CD1 3.58Å
747E96.1Very high94.3Very high121 Ų12161.3 Ų61.357%0.56530%0.299SS*.Hα-helixtrans-58.2-43.3174.4-65172.4-165.300111.2K743 E744 A749 R751K743-E747 PolarHBondContact O-N 2.88Å; E744-E747 PolarHBondContact O-N 3.49Å; E747-A749 VanDerWaalsContact C-N 3.35Å; E747-R751 WeakPolarHBondContact O-CB 3.41Å; E747-R751 PolarHBondContact O-N 2.96Å; E747-R751 VanDerWaalsContact O-N 3.09Å
748M97.3Very high94.2Very high35 Ų3565.5 Ų65.517%0.17232%0.321CS..Hα-helixtrans-67.9-33.9175.2-61.1-55.694.600112.3Y729 Y732 L736 E744 A745 A746 R751 A752Y729-M748 HydrophobicContact CD1-SD 3.78Å; Y729-M748 HydrophobicContact CE1-SD 4.45Å; Y732-M748 HydrophobicContact CD1-CG 3.79Å; Y732-M748 HydrophobicContact CD1-SD 3.6Å; Y732-M748 HydrophobicContact CE1-CG 4.22Å; Y732-M748 HydrophobicContact CE1-SD 3.92Å; L736-M748 HydrophobicContact CD1-CG 3.76Å; E744-M748 WeakPolarHBondContact O-CG 3.47Å; E744-M748 PolarHBondContact O-N 2.93Å; E744-M748 VanDerWaalsContact O-N 3.08Å; A745-M748 PolarHBondContact O-N 3.41Å; A746-M748 VanDerWaalsContact C-N 3.29Å; A746-M748 PolarHBondContact O-N 3.5Å; M748-R751 PolarHBondContact O-N 2.7Å; M748-A752 VanDerWaalsContact O-CB 3.24Å; M748-A752 WeakPolarHBondContact O-CB 3.37Å; M748-A752 PolarHBondContact O-N 3.33Å
749A95.3Very high94.3Very high0 Ų066.3 Ų66.30%033%0.325CS..Hα-helixtrans-69.6-43177.500000112.9A745 A746 E747 R751 A752 A753 A766 M769 L770A745-A749 VanDerWaalsContact O-CB 3.28Å; A745-A749 WeakPolarHBondContact O-CB 3.33Å; A745-A749 PolarHBondContact O-N 2.93Å; A746-A749 WeakPolarHBondContact O-CB 3.36Å; A746-A749 PolarHBondContact O-N 3.09Å; A746-A749 VanDerWaalsContact O-N 3.08Å; E747-A749 VanDerWaalsContact C-N 3.35Å; A749-R751 VanDerWaalsContact C-N 3.34Å; A749-A752 PolarHBondContact O-N 3.12Å; A749-A753 WeakPolarHBondContact O-CB 3.32Å; A749-A753 PolarHBondContact O-N 2.84Å; A749-A766 HydrophobicContact CB-CB 4.07Å; A749-A766 WeakPolarHBondContact O-CB 3.35Å; A749-M769 HydrophobicContact CB-CB 3.71Å; A749-M769 HydrophobicContact CB-CE 3.74Å; A749-M769 HydrophobicContact CB-CG 4.29Å; A749-M769 HydrophobicContact CB-SD 4.13Å; A749-L770 HydrophobicContact CB-CD2 4.46Å; A749-L770 HydrophobicContact CB-CG 4.15Å
750E94.8Very high94.3Very high85 Ų8564.9 Ų64.940%0.39732%0.318SS..Hα-helixtrans-60.8-47172.4-65.2-165.4146.800109.7A746 A752 A753 E754 L770A746-E750 WeakPolarHBondContact O-CG 3.47Å; A746-E750 PolarHBondContact O-N 2.85Å; E750-A752 PolarHBondContact O-N 3.4Å; E750-A753 PolarHBondContact O-N 3.01Å; E750-E754 WeakPolarHBondContact O-CG 3.48Å; E750-E754 PolarHBondContact O-N 2.92Å; E750-L770 HydrophobicContact CG-CD2 3.83Å
751R95.9Very high94.1Very high105 Ų10562.9 Ų62.940%0.39630%0.299SS..Hα-helixtrans-64.9-37.3179.4-167.457.6179.3169.64.8113.7Y729 E747 M748 A749 E754 L755Y729-R751 HydrophobicContact CD1-CB 4.07Å; Y729-R751 HydrophobicContact CD1-CG 3.79Å; Y729-R751 HydrophobicContact CD2-CG 4.36Å; Y729-R751 HydrophobicContact CE1-CB 4.42Å; Y729-R751 HydrophobicContact CE1-CG 3.7Å; Y729-R751 HydrophobicContact CE2-CG 4.28Å; Y729-R751 HydrophobicContact CG-CB 4.37Å; Y729-R751 HydrophobicContact CG-CG 4.12Å; E747-R751 WeakPolarHBondContact O-CB 3.41Å; E747-R751 PolarHBondContact O-N 2.96Å; E747-R751 VanDerWaalsContact O-N 3.09Å; M748-R751 PolarHBondContact O-N 2.7Å; A749-R751 VanDerWaalsContact C-N 3.34Å; R751-E754 VanDerWaalsContact CD-OE2 3.32Å; R751-E754 WeakPolarHBondContact CD-OE2 3.41Å; R751-E754 IonicContact CZ-OE2 2.75Å; R751-E754 IonicContact NE-OE2 3.85Å; R751-E754 IonicContact NH1-OE2 3.7Å; R751-E754 PolarHBondContact NH1-OE2 2.87Å; R751-L755 HydrophobicContact CG-CD1 4.22Å; R751-L755 VanDerWaalsContact O-CG 3.3Å; R751-L755 WeakPolarHBondContact O-CG 3.42Å; R751-L755 PolarHBondContact O-N 3.38Å
752A95.7Very high94Very high0 Ų059.9 Ų59.90%029%0.288CS..Hα-helixtrans-62.3-47.2174.700000111.3G726 M730 M748 A749 E750 L755 D756 V762G726-A752 WeakPolarHBondContact O-CB 3.39Å; M730-A752 HydrophobicContact CB-CB 4.12Å; M748-A752 VanDerWaalsContact O-CB 3.24Å; M748-A752 WeakPolarHBondContact O-CB 3.37Å; M748-A752 PolarHBondContact O-N 3.33Å; A749-A752 PolarHBondContact O-N 3.12Å; E750-A752 PolarHBondContact O-N 3.4Å; A752-L755 PolarHBondContact O-N 3.29Å; A752-D756 PolarHBondContact O-N 3.15Å; A752-D756 VanDerWaalsContact O-N 3.1Å; A752-V762 HydrophobicContact CB-CG1 3.81Å; A752-V762 WeakPolarHBondContact O-CG1 3.27Å
753A93.4Very high94.1Very high1 Ų157.5 Ų57.51%0.00827%0.273CS..Hα-helixtrans-67.9-36.9179.300000112.6A749 E750 L755 M757 A766A749-A753 WeakPolarHBondContact O-CB 3.32Å; A749-A753 PolarHBondContact O-N 2.84Å; E750-A753 PolarHBondContact O-N 3.01Å; A753-L755 VanDerWaalsContact C-N 3.29Å; A753-L755 PolarHBondContact O-N 2.96Å; A753-M757 WeakPolarHBondContact O-CA 3.27Å; A753-M757 WeakPolarHBondContact O-CG 3.29Å; A753-M757 PolarHBondContact O-N 2.98Å; A753-A766 HydrophobicContact CB-CB 4.03Å
754E94.1Very high94.2Very high116 Ų11650.9 Ų50.954%0.54224%0.244SC..Hα-helixtrans-59.5-37.9174.3-79-179.3166.900113.2E750 R751E750-E754 WeakPolarHBondContact O-CG 3.48Å; E750-E754 PolarHBondContact O-N 2.92Å; R751-E754 VanDerWaalsContact CD-OE2 3.32Å; R751-E754 WeakPolarHBondContact CD-OE2 3.41Å; R751-E754 IonicContact CZ-OE2 2.75Å; R751-E754 IonicContact NE-OE2 3.85Å; R751-E754 IonicContact NH1-OE2 3.7Å; R751-E754 PolarHBondContact NH1-OE2 2.87Å
755L94.3Very high94.1Very high48 Ų4849.7 Ų49.725%0.25124%0.24SC..Hα-helixtrans-81.2-46.7-175.8-68.5170.5000111.9Y729 R751 A752 A753Y729-L755 HydrophobicContact CD2-CD1 3.65Å; Y729-L755 HydrophobicContact CE2-CD1 3.41Å; Y729-L755 VanDerWaalsContact CE2-CD1 3.41Å; R751-L755 HydrophobicContact CG-CD1 4.22Å; R751-L755 VanDerWaalsContact O-CG 3.3Å; R751-L755 WeakPolarHBondContact O-CG 3.42Å; R751-L755 PolarHBondContact O-N 3.38Å; A752-L755 PolarHBondContact O-N 3.29Å; A753-L755 VanDerWaalsContact C-N 3.29Å; A753-L755 PolarHBondContact O-N 2.96Å
756D92Very high94Very high47 Ų4749.7 Ų49.725%0.25124%0.24SC..  trans-117.756.3-175.6-61.6-32.4000111.7G726 N727 A752 D758 E759 V762G726-D756 WeakPolarHBondContact CA-OD2 3.47Å; G726-D756 PolarHBondContact N-OD2 3.24Å; N727-D756 PolarHBondContact N-OD2 2.66Å; A752-D756 PolarHBondContact O-N 3.15Å; A752-D756 VanDerWaalsContact O-N 3.1Å; D756-D758 PolarHBondContact O-N 3.3Å; D756-E759 HydrophobicContact CB-CB 4.06Å; D756-E759 PolarHBondContact O-N 3Å; D756-V762 HydrophobicContact CB-CB 4.23Å; D756-V762 HydrophobicContact CB-CG1 4.14Å; D756-V762 HydrophobicContact CB-CG2 4.11Å
757M90.6Very high94.1Very high109 Ų10949.5 Ų49.554%0.53724%0.238SC..THydrogen-bonded Turntrans-59-15.8-176.5-75-165.8-54.900116.3A753 R785A753-M757 WeakPolarHBondContact O-CA 3.27Å; A753-M757 WeakPolarHBondContact O-CG 3.29Å; A753-M757 PolarHBondContact O-N 2.98Å; M757-R785 PolarHBondContact O-NE 3.21Å; M757-R785 VanDerWaalsContact O-NE 3.1Å
758D91.1Very high94Very high108 Ų10846 Ų4658%0.57822%0.222SC*.THydrogen-bonded Turntrans-107.2-9.9-175.5-63.6-28.4000112.6D756 F760 R785D756-D758 PolarHBondContact O-N 3.3Å; D758-F760 PolarHBondContact O-N 2.92Å; D758-R785 IonicContact OD1-CZ 3.17Å; D758-R785 IonicContact OD1-NE 2.72Å; D758-R785 IonicContact OD1-NH2 2.75Å; D758-R785 PolarHBondContact OD1-NH2 2.94Å
759E92.2Very high93.9Very high110 Ų11044.4 Ų44.451%0.51421%0.214SC..  trans-86.2108.4178.9-170.672.9165.100109.7D756 D761 V762 V763D756-E759 HydrophobicContact CB-CB 4.06Å; D756-E759 PolarHBondContact O-N 3Å; E759-D761 VanDerWaalsContact C-N 3.27Å; E759-D761 PolarHBondContact O-N 3.24Å; E759-V762 HydrophobicContact CB-CB 4.2Å; E759-V762 HydrophobicContact CB-CG2 4.03Å; E759-V762 HydrophobicContact CG-CB 4.44Å; E759-V762 HydrophobicContact CG-CG2 3.88Å; E759-V762 PolarHBondContact O-N 3.44Å; E759-V762 VanDerWaalsContact O-N 3.1Å; E759-V763 PolarHBondContact O-N 2.74Å; E759-V763 VanDerWaalsContact O-N 3.08Å
760F93.2Very high93.9Very high6 Ų644.4 Ų44.43%0.02621%0.214CC..Hα-helixtrans-51-46-174.2170.4-86.9000112.7D758 V762 V763 F764 A786 L789 R790 Y793 A796D758-F760 PolarHBondContact O-N 2.92Å; F760-V762 PolarHBondContact O-N 3.37Å; F760-V763 PolarHBondContact O-N 3.32Å; F760-F764 HydrophobicContact CD1-CB 4.41Å; F760-F764 HydrophobicContact CE1-CB 3.96Å; F760-F764 HydrophobicContact CE1-CD1 4.46Å; F760-F764 HydrophobicContact CE1-CG 4.12Å; F760-F764 HydrophobicContact CE2-CB 4.4Å; F760-F764 HydrophobicContact CZ-CB 3.93Å; F760-F764 HydrophobicContact CZ-CD2 4.03Å; F760-F764 AromaticContact CZ-CG 3.91Å; F760-F764 HydrophobicContact CZ-CG 3.91Å; F760-F764 WeakPolarHBondContact O-CB 3.5Å; F760-F764 PolarHBondContact O-N 3.09Å; F760-A786 HydrophobicContact CD2-CB 4.29Å; F760-A786 WeakPolarHBondContact CD2-O 3.36Å; F760-A786 HydrophobicContact CE2-CB 4.02Å; F760-A786 WeakPolarHBondContact CE2-O 3.42Å; F760-L789 HydrophobicContact CB-CB 4.36Å; F760-L789 HydrophobicContact CD2-CB 4.27Å; F760-R790 HydrophobicContact CB-CG 4.2Å; F760-R790 HydrophobicContact CD2-CB 3.72Å; F760-R790 HydrophobicContact CD2-CG 3.51Å; F760-R790 HydrophobicContact CE2-CB 3.82Å; F760-R790 HydrophobicContact CE2-CG 4.06Å; F760-R790 HydrophobicContact CG-CB 4.49Å; F760-R790 HydrophobicContact CG-CG 3.82Å; F760-Y793 HydrophobicContact CE1-CD1 4.17Å; F760-Y793 HydrophobicContact CE1-CE1 4.05Å; F760-Y793 HydrophobicContact CE2-CD1 4.12Å; F760-Y793 AromaticContact CZ-CD1 3.38Å; F760-Y793 HydrophobicContact CZ-CD1 3.38Å; F760-Y793 AromaticContact CZ-CE1 3.63Å; F760-Y793 HydrophobicContact CZ-CE1 3.63Å; F760-Y793 HydrophobicContact CZ-CG 4.05Å; F760-A796 HydrophobicContact CE2-CB 4.04Å; F760-A796 HydrophobicContact CZ-CB 4.26Å
761D91.1Very high93.9Very high63 Ų6343.3 Ų43.334%0.33721%0.206SC..Hα-helixtrans-70.7-32.3-173.9-66.5-67.4000111.5E759 N765 R790E759-D761 VanDerWaalsContact C-N 3.27Å; E759-D761 PolarHBondContact O-N 3.24Å; D761-N765 WeakPolarHBondContact O-CB 3.49Å; D761-N765 PolarHBondContact O-N 3.4Å; D761-N765 VanDerWaalsContact O-N 3.15Å; D761-N765 PolarHBondContact O-ND2 2.67Å; D761-R790 IonicContact OD1-NH1 3.07Å; D761-R790 IonicContact OD2-CZ 3.08Å; D761-R790 IonicContact OD2-NH1 3.25Å; D761-R790 IonicContact OD2-NH2 3.67Å; D761-R790 PolarHBondContact OD2-NH2 3.35Å
762V93.3Very high93.7Very high3 Ų342.9 Ų42.92%0.01821%0.209CC..Hα-helixtrans-67-51.7172.81780000110.8N727 M730 A752 D756 E759 F760 F764 N765 A766N727-V762 HydrophobicContact CB-CG2 4.48Å; M730-V762 HydrophobicContact SD-CB 4.43Å; M730-V762 HydrophobicContact SD-CG2 4.17Å; A752-V762 HydrophobicContact CB-CG1 3.81Å; A752-V762 WeakPolarHBondContact O-CG1 3.27Å; D756-V762 HydrophobicContact CB-CB 4.23Å; D756-V762 HydrophobicContact CB-CG1 4.14Å; D756-V762 HydrophobicContact CB-CG2 4.11Å; E759-V762 HydrophobicContact CB-CB 4.2Å; E759-V762 HydrophobicContact CB-CG2 4.03Å; E759-V762 HydrophobicContact CG-CB 4.44Å; E759-V762 HydrophobicContact CG-CG2 3.88Å; E759-V762 PolarHBondContact O-N 3.44Å; E759-V762 VanDerWaalsContact O-N 3.1Å; F760-V762 PolarHBondContact O-N 3.37Å; V762-F764 PolarHBondContact O-N 2.92Å; V762-N765 PolarHBondContact O-N 2.84Å; V762-A766 VanDerWaalsContact O-CB 3.28Å; V762-A766 WeakPolarHBondContact O-CB 3.47Å; V762-A766 PolarHBondContact O-N 2.88Å
763V94.7Very high93.6Very high0 Ų043.8 Ų43.80%022%0.216CC..Hα-helixtrans-64.9-41.4-177.9176.10000111.9E759 F760 A766 A767 Q782 R785 A786 L789E759-V763 PolarHBondContact O-N 2.74Å; E759-V763 VanDerWaalsContact O-N 3.08Å; F760-V763 PolarHBondContact O-N 3.32Å; V763-A766 PolarHBondContact O-N 2.94Å; V763-A767 WeakPolarHBondContact O-CB 3.26Å; V763-A767 PolarHBondContact O-N 3.32Å; V763-Q782 HydrophobicContact CG1-CB 4.2Å; V763-Q782 VanDerWaalsContact CG1-O 3.27Å; V763-Q782 WeakPolarHBondContact CG1-O 3.46Å; V763-R785 HydrophobicContact CG1-CB 3.73Å; V763-R785 HydrophobicContact CG1-CG 3.8Å; V763-R785 HydrophobicContact CG2-CG 4.39Å; V763-A786 HydrophobicContact CG1-CB 4.12Å; V763-L789 HydrophobicContact CB-CD1 4.44Å; V763-L789 HydrophobicContact CG2-CD1 4.25Å
764F95.4Very high93.6Very high32 Ų3249.8 Ų49.814%0.1425%0.248CC..Hα-helixtrans-67.2-41.9179.6180-102000112.3F760 V762 H768 Y783 A786 A795 A796F760-F764 HydrophobicContact CD1-CB 4.41Å; F760-F764 HydrophobicContact CE1-CB 3.96Å; F760-F764 HydrophobicContact CE1-CD1 4.46Å; F760-F764 HydrophobicContact CE1-CG 4.12Å; F760-F764 HydrophobicContact CE2-CB 4.4Å; F760-F764 HydrophobicContact CZ-CB 3.93Å; F760-F764 HydrophobicContact CZ-CD2 4.03Å; F760-F764 AromaticContact CZ-CG 3.91Å; F760-F764 HydrophobicContact CZ-CG 3.91Å; F760-F764 WeakPolarHBondContact O-CB 3.5Å; F760-F764 PolarHBondContact O-N 3.09Å; V762-F764 PolarHBondContact O-N 2.92Å; F764-H768 PolarHBondContact O-N 2.91Å; F764-Y783 HydrophobicContact CD2-CD1 4.16Å; F764-Y783 AromaticContact CD2-CE1 3.87Å; F764-Y783 HydrophobicContact CD2-CE1 3.87Å; F764-Y783 HydrophobicContact CE2-CD1 4.25Å; F764-Y783 AromaticContact CE2-CE1 3.73Å; F764-Y783 HydrophobicContact CE2-CE1 3.73Å; F764-A786 HydrophobicContact CB-CB 4.01Å; F764-A786 HydrophobicContact CD2-CB 4.21Å; F764-A795 HydrophobicContact CZ-CB 4.49Å; F764-A796 HydrophobicContact CD2-CB 4.34Å; F764-A796 HydrophobicContact CE2-CB 4.36Å
765N94.6Very high93.6Very high50 Ų5048 Ų4827%0.26724%0.242SC..Hα-helixtrans-68-43.3173.8-75.8-61.1000111M730 D761 V762 A767 H768 M769M730-N765 HydrophobicContact CG-CB 3.8Å; M730-N765 HydrophobicContact SD-CB 3.76Å; D761-N765 WeakPolarHBondContact O-CB 3.49Å; D761-N765 PolarHBondContact O-N 3.4Å; D761-N765 VanDerWaalsContact O-N 3.15Å; D761-N765 PolarHBondContact O-ND2 2.67Å; V762-N765 PolarHBondContact O-N 2.84Å; N765-A767 VanDerWaalsContact C-N 3.3Å; N765-A767 PolarHBondContact O-N 2.85Å; N765-H768 WeakPolarHBondContact O-CA 3.44Å; N765-H768 WeakPolarHBondContact O-CB 3.37Å; N765-H768 PolarHBondContact O-N 3.33Å; N765-M769 VanDerWaalsContact O-CG 3.29Å; N765-M769 WeakPolarHBondContact O-CG 3.46Å; N765-M769 PolarHBondContact O-N 3.19Å
766A95.1Very high93.6Very high0 Ų047.8 Ų47.80%024%0.241CC..Hα-helixtrans-55.2-44.717500000112.3A749 A753 V762 V763 H768 M769 L770A749-A766 HydrophobicContact CB-CB 4.07Å; A749-A766 WeakPolarHBondContact O-CB 3.35Å; A753-A766 HydrophobicContact CB-CB 4.03Å; V762-A766 VanDerWaalsContact O-CB 3.28Å; V762-A766 WeakPolarHBondContact O-CB 3.47Å; V762-A766 PolarHBondContact O-N 2.88Å; V763-A766 PolarHBondContact O-N 2.94Å; A766-H768 VanDerWaalsContact C-N 3.3Å; A766-H768 PolarHBondContact O-N 3.17Å; A766-M769 PolarHBondContact O-N 3.27Å; A766-L770 WeakPolarHBondContact O-CB 3.44Å; A766-L770 VanDerWaalsContact O-CG 3.27Å; A766-L770 WeakPolarHBondContact O-CG 3.49Å; A766-L770 PolarHBondContact O-N 3.48Å
767A95.3Very high93.8Very high0 Ų052.4 Ų52.40%026%0.261CS..Hα-helixtrans-58.4-40.2174.400000112.8V763 N765 R771 A779 Q782 Y783V763-A767 WeakPolarHBondContact O-CB 3.26Å; V763-A767 PolarHBondContact O-N 3.32Å; N765-A767 VanDerWaalsContact C-N 3.3Å; N765-A767 PolarHBondContact O-N 2.85Å; A767-R771 WeakPolarHBondContact O-CB 3.3Å; A767-R771 PolarHBondContact O-N 2.89Å; A767-A779 WeakPolarHBondContact O-CB 3.31Å; A767-Q782 HydrophobicContact CB-CB 3.56Å; A767-Y783 HydrophobicContact CB-CD1 3.52Å; A767-Y783 HydrophobicContact CB-CD2 3.65Å; A767-Y783 HydrophobicContact CB-CE1 3.59Å; A767-Y783 HydrophobicContact CB-CE2 3.75Å; A767-Y783 HydrophobicContact CB-CG 3.54Å
768H94.4Very high93.9Very high48 Ų4847.6 Ų47.622%0.22224%0.239CC..Hα-helixtrans-65.6-43.2175.9-176.2-107.4000112.5F764 N765 A766 R771 Q772 Y783F764-H768 PolarHBondContact O-N 2.91Å; N765-H768 WeakPolarHBondContact O-CA 3.44Å; N765-H768 WeakPolarHBondContact O-CB 3.37Å; N765-H768 PolarHBondContact O-N 3.33Å; A766-H768 VanDerWaalsContact C-N 3.3Å; A766-H768 PolarHBondContact O-N 3.17Å; H768-R771 PolarHBondContact CD2-NH2 3.43Å; H768-R771 VanDerWaalsContact CD2-NH2 3.31Å; H768-R771 PolarHBondContact NE2-NH2 3.41Å; H768-R771 PolarHBondContact O-N 3.33Å; H768-Q772 PolarHBondContact CE1-NE2 3.44Å; H768-Q772 PolarHBondContact NE2-NE2 2.82Å; H768-Q772 PolarHBondContact O-N 3.4Å; H768-Y783 VanDerWaalsContact CA-OH 3.24Å; H768-Y783 WeakPolarHBondContact CA-OH 3.41Å; H768-Y783 WeakPolarHBondContact CB-OH 3.27Å; H768-Y783 PolarHBondContact N-OH 3.24Å
769M94.9Very high94.2Very high1 Ų142.4 Ų42.41%0.00521%0.211CC..Hα-helixtrans-63.8-46.6177.9-56-159.9-104.700111.8M730 G733 Q734 L737 A749 N765 A766 R771 Q772 A773M730-M769 HydrophobicContact CG-CE 4.17Å; G733-M769 VanDerWaalsContact CA-SD 3.59Å; Q734-M769 PolarHBondContact N-SD 3.19Å; Q734-M769 VanDerWaalsContact N-SD 3.45Å; L737-M769 HydrophobicContact CD1-CB 3.83Å; L737-M769 HydrophobicContact CD1-CG 3.53Å; L737-M769 HydrophobicContact CD1-SD 4.15Å; A749-M769 HydrophobicContact CB-CB 3.71Å; A749-M769 HydrophobicContact CB-CE 3.74Å; A749-M769 HydrophobicContact CB-CG 4.29Å; A749-M769 HydrophobicContact CB-SD 4.13Å; N765-M769 VanDerWaalsContact O-CG 3.29Å; N765-M769 WeakPolarHBondContact O-CG 3.46Å; N765-M769 PolarHBondContact O-N 3.19Å; A766-M769 PolarHBondContact O-N 3.27Å; M769-R771 VanDerWaalsContact C-N 3.28Å; M769-R771 PolarHBondContact O-N 2.83Å; M769-Q772 PolarHBondContact O-N 3.42Å; M769-Q772 VanDerWaalsContact O-N 3.12Å; M769-A773 PolarHBondContact O-N 3.21Å
770L95.5Very high94.4Very high0 Ų037.8 Ų37.80%019%0.19CC..Hα-helixtrans-59.3-39176.2-68.9166.2000111.9A746 A749 E750 A766 A773 N774 L775 A778 A779 Q782A746-L770 HydrophobicContact CB-CD2 3.98Å; A749-L770 HydrophobicContact CB-CD2 4.46Å; A749-L770 HydrophobicContact CB-CG 4.15Å; E750-L770 HydrophobicContact CG-CD2 3.83Å; A766-L770 WeakPolarHBondContact O-CB 3.44Å; A766-L770 VanDerWaalsContact O-CG 3.27Å; A766-L770 WeakPolarHBondContact O-CG 3.49Å; A766-L770 PolarHBondContact O-N 3.48Å; L770-A773 PolarHBondContact O-N 2.96Å; L770-N774 PolarHBondContact O-N 3.45Å; L770-L775 HydrophobicContact CB-CB 4.5Å; L770-L775 HydrophobicContact CD2-CB 4.34Å; L770-L775 HydrophobicContact CD2-CD1 3.94Å; L770-L775 PolarHBondContact O-N 2.85Å; L770-A778 HydrophobicContact CD1-CB 4Å; L770-A778 HydrophobicContact CD2-CB 4.14Å; L770-A778 HydrophobicContact CG-CB 4.48Å; L770-A779 HydrophobicContact CB-CB 3.88Å; L770-Q782 HydrophobicContact CD1-CG 3.76Å
771R94.4Very high94.5Very high63 Ų6344.5 Ų44.524%0.23822%0.215CC..Hα-helixtrans-64-44174.3-173.9-177.673.5-176.9-0.2111.8A767 H768 M769 A773 N774 A779 Y783 N799 I803A767-R771 WeakPolarHBondContact O-CB 3.3Å; A767-R771 PolarHBondContact O-N 2.89Å; H768-R771 PolarHBondContact CD2-NH2 3.43Å; H768-R771 VanDerWaalsContact CD2-NH2 3.31Å; H768-R771 PolarHBondContact NE2-NH2 3.41Å; H768-R771 PolarHBondContact O-N 3.33Å; M769-R771 VanDerWaalsContact C-N 3.28Å; M769-R771 PolarHBondContact O-N 2.83Å; R771-A773 PolarHBondContact O-N 2.96Å; R771-N774 PolarHBondContact O-N 3.08Å; R771-A779 HydrophobicContact CB-CB 4Å; R771-Y783 HydrophobicContact CB-CE2 4.43Å; R771-N799 PolarHBondContact NH1-OD1 2.89Å; R771-I803 HydrophobicContact CB-CD1 4.48Å; R771-I803 HydrophobicContact CG-CD1 3.92Å
772Q93Very high94.8Very high95 Ų9543.5 Ų43.544%0.44421%0.208SC..Hα-helixtrans-66.5-26.1177.2-69.9-162.4-7.700112.8L737 H768 M769 N774L737-Q772 HydrophobicContact CD2-CB 4.02Å; H768-Q772 PolarHBondContact CE1-NE2 3.44Å; H768-Q772 PolarHBondContact NE2-NE2 2.82Å; H768-Q772 PolarHBondContact O-N 3.4Å; M769-Q772 PolarHBondContact O-N 3.42Å; M769-Q772 VanDerWaalsContact O-N 3.12Å; Q772-N774 PolarHBondContact O-N 3.26Å
773A93Very high94.9Very high20 Ų2043.3 Ų43.317%0.16521%0.207CC..THydrogen-bonded Turntrans-77.90.2170.200000114.6P742 A746 M769 L770 R771 L775P742-A773 HydrophobicContact CB-CB 4.32Å; P742-A773 WeakPolarHBondContact O-CB 3.46Å; A746-A773 HydrophobicContact CB-CB 3.8Å; M769-A773 PolarHBondContact O-N 3.21Å; L770-A773 PolarHBondContact O-N 2.96Å; R771-A773 PolarHBondContact O-N 2.96Å; A773-L775 HydrophobicContact CB-CD1 4.23Å; A773-L775 HydrophobicContact CB-CG 4.18Å; A773-L775 PolarHBondContact O-N 3.47Å
774N93.3Very high95Very high127 Ų12746.9 Ų46.968%0.67922%0.222SC*.THydrogen-bonded Turntrans61.219.8-171.5-54.7-74.6000114.7L770 R771 Q772 N776L770-N774 PolarHBondContact O-N 3.45Å; R771-N774 PolarHBondContact O-N 3.08Å; Q772-N774 PolarHBondContact O-N 3.26Å; N774-N776 PolarHBondContact O-N 3.19Å
775L94.9Very high95Very high79 Ų7950 Ų5041%0.41423%0.233SC..  trans-84.862.5175.2-64175.3000110.2A746 L770 A773 E777 A778 A779A746-L775 HydrophobicContact CB-CD1 3.58Å; L770-L775 HydrophobicContact CB-CB 4.5Å; L770-L775 HydrophobicContact CD2-CB 4.34Å; L770-L775 HydrophobicContact CD2-CD1 3.94Å; L770-L775 PolarHBondContact O-N 2.85Å; A773-L775 HydrophobicContact CB-CD1 4.23Å; A773-L775 HydrophobicContact CB-CG 4.18Å; A773-L775 PolarHBondContact O-N 3.47Å; L775-E777 VanDerWaalsContact C-N 3.32Å; L775-E777 PolarHBondContact O-N 3.37Å; L775-A778 HydrophobicContact CB-CB 4.3Å; L775-A778 PolarHBondContact O-N 3.08Å; L775-A778 VanDerWaalsContact O-N 3.09Å; L775-A779 PolarHBondContact O-N 3Å
776N94.5Very high95.1Very high42 Ų4247.7 Ų47.723%0.22522%0.221CC..Hα-helixtrans-65.3-29.3-162.5-60-22.5000114.5N774 E780 I803 N807N774-N776 PolarHBondContact O-N 3.19Å; N776-E780 WeakPolarHBondContact O-CB 3.43Å; N776-E780 PolarHBondContact O-N 2.92Å; N776-I803 HydrophobicContact CB-CD1 3.75Å; N776-I803 HydrophobicContact CB-CG1 4.45Å; N776-I803 WeakPolarHBondContact O-CG1 3.2Å; N776-N807 WeakPolarHBondContact CB-OD1 3.23Å; N776-N807 PolarHBondContact O-ND2 3.31Å; N776-N807 VanDerWaalsContact O-ND2 3.14Å
777E94.3Very high95.1Very high144 Ų14448.2 Ų48.267%0.67323%0.225SC*.Hα-helixtrans-70.5-40.7174-64.9-170.5167.400112.3L775 E780 R781L775-E777 VanDerWaalsContact C-N 3.32Å; L775-E777 PolarHBondContact O-N 3.37Å; E777-E780 PolarHBondContact O-N 3.04Å; E777-R781 PolarHBondContact O-N 2.97Å; E777-R781 VanDerWaalsContact O-N 3.13Å
778A94.3Very high95.1Very high8 Ų851.4 Ų51.47%0.06625%0.248CC..Hα-helixtrans-67.4-42.4176.300000110.6L770 L775 E780 R781 Q782L770-A778 HydrophobicContact CD1-CB 4Å; L770-A778 HydrophobicContact CD2-CB 4.14Å; L770-A778 HydrophobicContact CG-CB 4.48Å; L775-A778 HydrophobicContact CB-CB 4.3Å; L775-A778 PolarHBondContact O-N 3.08Å; L775-A778 VanDerWaalsContact O-N 3.09Å; A778-E780 VanDerWaalsContact C-N 3.32Å; A778-E780 PolarHBondContact O-N 3.01Å; A778-R781 PolarHBondContact O-N 2.93Å; A778-Q782 PolarHBondContact O-N 3.08Å; A778-Q782 VanDerWaalsContact O-N 3.14Å
779A96.3Very high95.1Very high0 Ų051.8 Ų51.80%025%0.251CS..Hα-helixtrans-59.2-39.7172.500000112.4A767 L770 R771 L775 Q782 Y783 I803A767-A779 WeakPolarHBondContact O-CB 3.31Å; L770-A779 HydrophobicContact CB-CB 3.88Å; R771-A779 HydrophobicContact CB-CB 4Å; L775-A779 PolarHBondContact O-N 3Å; A779-Q782 PolarHBondContact O-N 3.17Å; A779-Y783 HydrophobicContact CB-CD2 4.47Å; A779-Y783 WeakPolarHBondContact O-CB 3.37Å; A779-Y783 VanDerWaalsContact O-CD2 3.25Å; A779-Y783 WeakPolarHBondContact O-CD2 3.44Å; A779-Y783 PolarHBondContact O-N 3.45Å; A779-I803 HydrophobicContact CB-CD1 4.08Å; A779-I803 HydrophobicContact CB-CG1 3.98Å
780E96.8Very high95.1Very high13 Ų1356.6 Ų56.66%0.06127%0.269CS..Hα-helixtrans-61.3-46174.1-172.5-167.8137.800112.1N776 E777 A778 Q782 Y783 K784 I803 L804 N807 K809N776-E780 WeakPolarHBondContact O-CB 3.43Å; N776-E780 PolarHBondContact O-N 2.92Å; E777-E780 PolarHBondContact O-N 3.04Å; A778-E780 VanDerWaalsContact C-N 3.32Å; A778-E780 PolarHBondContact O-N 3.01Å; E780-Q782 VanDerWaalsContact C-N 3.32Å; E780-Q782 PolarHBondContact O-N 2.95Å; E780-Y783 PolarHBondContact O-N 3.22Å; E780-K784 HydrophobicContact CG-CD 4.18Å; E780-K784 HydrophobicContact CG-CG 4.47Å; E780-K784 WeakPolarHBondContact O-CB 3.47Å; E780-K784 WeakPolarHBondContact O-CG 3.49Å; E780-K784 PolarHBondContact O-N 3.21Å; E780-K784 WeakPolarHBondContact OE1-CE 3.12Å; E780-K784 IonicContact OE1-NZ 3.6Å; E780-K784 PolarHBondContact OE1-NZ 2.94Å; E780-I803 HydrophobicContact CB-CG1 4.34Å; E780-I803 HydrophobicContact CB-CG2 4.03Å; E780-I803 HydrophobicContact CG-CG2 4.23Å; E780-L804 HydrophobicContact CG-CD2 3.9Å; E780-N807 PolarHBondContact OE2-ND2 3.35Å; E780-K809 IonicContact OE1-NZ 2.74Å; E780-K809 PolarHBondContact OE1-NZ 2.88Å; E780-K809 IonicContact OE2-NZ 2.69Å; E780-K809 PolarHBondContact OE2-NZ 3.43Å
781R95.6Very high95Very high147 Ų14760 Ų6056%0.55529%0.291SS*.Hα-helixtrans-56.6-47.1177.4-68.5-170.7-65.1-105.67111.3E777 A778 K784 R785E777-R781 PolarHBondContact O-N 2.97Å; E777-R781 VanDerWaalsContact O-N 3.13Å; A778-R781 PolarHBondContact O-N 2.93Å; R781-K784 PolarHBondContact O-N 3.38Å; R781-R785 PolarHBondContact O-N 3.46Å
782Q96.4Very high94.9Very high41 Ų4161.8 Ų61.819%0.19231%0.306CS..Hα-helixtrans-73.4-37.4-178.6-56.8-54.5-800112.7V763 A767 L770 A778 A779 E780 K784 R785 A786V763-Q782 HydrophobicContact CG1-CB 4.2Å; V763-Q782 VanDerWaalsContact CG1-O 3.27Å; V763-Q782 WeakPolarHBondContact CG1-O 3.46Å; A767-Q782 HydrophobicContact CB-CB 3.56Å; L770-Q782 HydrophobicContact CD1-CG 3.76Å; A778-Q782 PolarHBondContact O-N 3.08Å; A778-Q782 VanDerWaalsContact O-N 3.14Å; A779-Q782 PolarHBondContact O-N 3.17Å; E780-Q782 VanDerWaalsContact C-N 3.32Å; E780-Q782 PolarHBondContact O-N 2.95Å; Q782-K784 VanDerWaalsContact C-N 3.34Å; Q782-K784 PolarHBondContact O-N 3.4Å; Q782-R785 PolarHBondContact O-N 2.96Å; Q782-A786 PolarHBondContact O-N 3.31Å
783Y97Very high95Very high0 Ų061.7 Ų61.70%030%0.302CS..Hα-helixtrans-65.3-35.5172.4-81.5-53.8000112.5F764 A767 H768 R771 A779 E780 A786 A787 N799 I803F764-Y783 HydrophobicContact CD2-CD1 4.16Å; F764-Y783 AromaticContact CD2-CE1 3.87Å; F764-Y783 HydrophobicContact CD2-CE1 3.87Å; F764-Y783 HydrophobicContact CE2-CD1 4.25Å; F764-Y783 AromaticContact CE2-CE1 3.73Å; F764-Y783 HydrophobicContact CE2-CE1 3.73Å; A767-Y783 HydrophobicContact CB-CD1 3.52Å; A767-Y783 HydrophobicContact CB-CD2 3.65Å; A767-Y783 HydrophobicContact CB-CE1 3.59Å; A767-Y783 HydrophobicContact CB-CE2 3.75Å; A767-Y783 HydrophobicContact CB-CG 3.54Å; H768-Y783 VanDerWaalsContact CA-OH 3.24Å; H768-Y783 WeakPolarHBondContact CA-OH 3.41Å; H768-Y783 WeakPolarHBondContact CB-OH 3.27Å; H768-Y783 PolarHBondContact N-OH 3.24Å; R771-Y783 HydrophobicContact CB-CE2 4.43Å; A779-Y783 HydrophobicContact CB-CD2 4.47Å; A779-Y783 WeakPolarHBondContact O-CB 3.37Å; A779-Y783 VanDerWaalsContact O-CD2 3.25Å; A779-Y783 WeakPolarHBondContact O-CD2 3.44Å; A779-Y783 PolarHBondContact O-N 3.45Å; E780-Y783 PolarHBondContact O-N 3.22Å; Y783-A786 PolarHBondContact O-N 3.4Å; Y783-A787 WeakPolarHBondContact O-CB 3.13Å; Y783-A787 PolarHBondContact O-N 3.03Å; Y783-N799 HydrophobicContact CD1-CB 3.85Å; Y783-N799 HydrophobicContact CE1-CB 3.41Å; Y783-N799 VanDerWaalsContact CE1-CB 3.41Å; Y783-N799 HydrophobicContact CE2-CB 4.18Å; Y783-N799 HydrophobicContact CG-CB 4.44Å; Y783-I803 HydrophobicContact CD2-CB 4.17Å; Y783-I803 HydrophobicContact CD2-CG2 3.88Å; Y783-I803 HydrophobicContact CG-CG2 4.49Å
784K96.2Very high95Very high75 Ų7562.3 Ų62.333%0.32630%0.304SS..Hα-helixtrans-62.1-42.8170.6-77.1-177.3166.9168.40111.2E780 R781 Q782 S788 L800 E812E780-K784 HydrophobicContact CG-CD 4.18Å; E780-K784 HydrophobicContact CG-CG 4.47Å; E780-K784 WeakPolarHBondContact O-CB 3.47Å; E780-K784 WeakPolarHBondContact O-CG 3.49Å; E780-K784 PolarHBondContact O-N 3.21Å; E780-K784 WeakPolarHBondContact OE1-CE 3.12Å; E780-K784 IonicContact OE1-NZ 3.6Å; E780-K784 PolarHBondContact OE1-NZ 2.94Å; R781-K784 PolarHBondContact O-N 3.38Å; Q782-K784 VanDerWaalsContact C-N 3.34Å; Q782-K784 PolarHBondContact O-N 3.4Å; K784-S788 PolarHBondContact O-N 3.15Å; K784-L800 HydrophobicContact CB-CD1 4.49Å; K784-L800 HydrophobicContact CD-CD1 4.49Å; K784-L800 HydrophobicContact CG-CD1 3.51Å; K784-L800 HydrophobicContact CG-CD2 4.03Å; K784-L800 HydrophobicContact CG-CG 4.44Å; K784-E812 IonicContact NZ-OE2 2.7Å; K784-E812 PolarHBondContact NZ-OE2 3.26Å
785R95.3Very high95.1Very high98 Ų9857.7 Ų57.737%0.3728%0.283SS..Hα-helixtrans-64.1-48.6175.2-174.361.2170.5-173-4111.9M757 D758 V763 R781 Q782 A787 S788 L789M757-R785 PolarHBondContact O-NE 3.21Å; M757-R785 VanDerWaalsContact O-NE 3.1Å; D758-R785 IonicContact OD1-CZ 3.17Å; D758-R785 IonicContact OD1-NE 2.72Å; D758-R785 IonicContact OD1-NH2 2.75Å; D758-R785 PolarHBondContact OD1-NH2 2.94Å; V763-R785 HydrophobicContact CG1-CB 3.73Å; V763-R785 HydrophobicContact CG1-CG 3.8Å; V763-R785 HydrophobicContact CG2-CG 4.39Å; R781-R785 PolarHBondContact O-N 3.46Å; Q782-R785 PolarHBondContact O-N 2.96Å; R785-A787 VanDerWaalsContact C-N 3.35Å; R785-A787 PolarHBondContact O-N 3.37Å; R785-S788 WeakPolarHBondContact CA-OG 3.42Å; R785-S788 WeakPolarHBondContact O-CA 3.35Å; R785-S788 PolarHBondContact O-N 3.28Å; R785-S788 PolarHBondContact O-OG 3.06Å; R785-L789 HydrophobicContact CG-CD1 4.22Å; R785-L789 WeakPolarHBondContact O-CG 3.3Å; R785-L789 PolarHBondContact O-N 3.5Å
786A95.9Very high95Very high0 Ų053.9 Ų53.90%026%0.264CS..Hα-helixtrans-57.8-43.9176.600000112.5F760 V763 F764 Q782 Y783 S788 L789 R790F760-A786 HydrophobicContact CD2-CB 4.29Å; F760-A786 WeakPolarHBondContact CD2-O 3.36Å; F760-A786 HydrophobicContact CE2-CB 4.02Å; F760-A786 WeakPolarHBondContact CE2-O 3.42Å; V763-A786 HydrophobicContact CG1-CB 4.12Å; F764-A786 HydrophobicContact CB-CB 4.01Å; F764-A786 HydrophobicContact CD2-CB 4.21Å; Q782-A786 PolarHBondContact O-N 3.31Å; Y783-A786 PolarHBondContact O-N 3.4Å; A786-S788 VanDerWaalsContact C-N 3.32Å; A786-S788 PolarHBondContact O-N 2.94Å; A786-L789 PolarHBondContact O-N 3.04Å; A786-R790 PolarHBondContact O-N 2.94Å
787A95.5Very high95.1Very high11 Ų1152.5 Ų52.59%0.09126%0.256CS..Hα-helixtrans-65.4-32.2174.400000112.7Y783 R785 R790 P791 A796 L797 L800Y783-A787 WeakPolarHBondContact O-CB 3.13Å; Y783-A787 PolarHBondContact O-N 3.03Å; R785-A787 VanDerWaalsContact C-N 3.35Å; R785-A787 PolarHBondContact O-N 3.37Å; A787-R790 CarbonylContact O-C 3.45Å; A787-R790 VanDerWaalsContact O-C 3.3Å; A787-P791 WeakPolarHBondContact O-CA 3.45Å; A787-P791 VanDerWaalsContact O-N 3.13Å; A787-A796 HydrophobicContact CB-CB 4.45Å; A787-L797 HydrophobicContact CB-CD2 4.32Å; A787-L800 HydrophobicContact CB-CD2 3.69Å
788S95.3Very high95.2Very high68 Ų6847 Ų4748%0.47623%0.231SC..Hα-helixtrans-71.7-31.2173.172.60000113.5K784 R785 A786K784-S788 PolarHBondContact O-N 3.15Å; R785-S788 WeakPolarHBondContact CA-OG 3.42Å; R785-S788 WeakPolarHBondContact O-CA 3.35Å; R785-S788 PolarHBondContact O-N 3.28Å; R785-S788 PolarHBondContact O-OG 3.06Å; A786-S788 VanDerWaalsContact C-N 3.32Å; A786-S788 PolarHBondContact O-N 2.94Å
789L94.8Very high95.3Very high55 Ų5547.5 Ų47.529%0.28823%0.232SC..Hα-helixtrans-76.2-35.2178-68.2170.8000112.5F760 V763 R785 A786F760-L789 HydrophobicContact CB-CB 4.36Å; F760-L789 HydrophobicContact CD2-CB 4.27Å; V763-L789 HydrophobicContact CB-CD1 4.44Å; V763-L789 HydrophobicContact CG2-CD1 4.25Å; R785-L789 HydrophobicContact CG-CD1 4.22Å; R785-L789 WeakPolarHBondContact O-CG 3.3Å; R785-L789 PolarHBondContact O-N 3.5Å; A786-L789 PolarHBondContact O-N 3.04Å
790R95.1Very high95.3Very high102 Ų10247.9 Ų47.939%0.38523%0.234SC..SBendtrans-132.482171.4-63.1-174.4-175.2153.58110.8F760 D761 A786 A787 D792 Y793F760-R790 HydrophobicContact CB-CG 4.2Å; F760-R790 HydrophobicContact CD2-CB 3.72Å; F760-R790 HydrophobicContact CD2-CG 3.51Å; F760-R790 HydrophobicContact CE2-CB 3.82Å; F760-R790 HydrophobicContact CE2-CG 4.06Å; F760-R790 HydrophobicContact CG-CB 4.49Å; F760-R790 HydrophobicContact CG-CG 3.82Å; D761-R790 IonicContact OD1-NH1 3.07Å; D761-R790 IonicContact OD2-CZ 3.08Å; D761-R790 IonicContact OD2-NH1 3.25Å; D761-R790 IonicContact OD2-NH2 3.67Å; D761-R790 PolarHBondContact OD2-NH2 3.35Å; A786-R790 PolarHBondContact O-N 2.94Å; A787-R790 CarbonylContact O-C 3.45Å; A787-R790 VanDerWaalsContact O-C 3.3Å; R790-D792 PolarHBondContact O-N 2.68Å; R790-Y793 WeakPolarHBondContact O-CB 3.42Å; R790-Y793 PolarHBondContact O-N 3.04Å; R790-Y793 VanDerWaalsContact O-N 3.12Å
791P92.9Very high95.3Very high73 Ų7347.3 Ų47.347%0.47423%0.231SC..THydrogen-bonded Turntrans-58.3-28.7-176.7-27.836.8000115.2A787 L797A787-P791 WeakPolarHBondContact O-CA 3.45Å; A787-P791 VanDerWaalsContact O-N 3.13Å; P791-L797 WeakPolarHBondContact O-CD1 3.49Å
792D92.5Very high95.3Very high100 Ų10041 Ų4154%0.53521%0.211SC..THydrogen-bonded Turntrans-102.621.6-179-58.3-57.1000113.1R790 P794 R819 L823R790-D792 PolarHBondContact O-N 2.68Å; D792-P794 WeakPolarHBondContact O-CD 3.21Å; D792-R819 IonicContact OD1-CZ 2.76Å; D792-R819 IonicContact OD1-NH2 3.36Å; D792-R819 PolarHBondContact OD1-NH2 3.46Å; D792-L823 HydrophobicContact CB-CD1 4.33Å; D792-L823 HydrophobicContact CB-CD2 4.16Å
793Y94.4Very high95.3Very high92 Ų9239 Ų3936%0.36120%0.202SC..  trans-93.9106.9174-169.7-107.5000111.6F760 R790 A795 A796 L797F760-Y793 HydrophobicContact CE1-CD1 4.17Å; F760-Y793 HydrophobicContact CE1-CE1 4.05Å; F760-Y793 HydrophobicContact CE2-CD1 4.12Å; F760-Y793 AromaticContact CZ-CD1 3.38Å; F760-Y793 HydrophobicContact CZ-CD1 3.38Å; F760-Y793 AromaticContact CZ-CE1 3.63Å; F760-Y793 HydrophobicContact CZ-CE1 3.63Å; F760-Y793 HydrophobicContact CZ-CG 4.05Å; R790-Y793 WeakPolarHBondContact O-CB 3.42Å; R790-Y793 PolarHBondContact O-N 3.04Å; R790-Y793 VanDerWaalsContact O-N 3.12Å; Y793-A795 VanDerWaalsContact C-N 3.3Å; Y793-A795 HydrophobicContact CD1-CB 4.22Å; Y793-A795 HydrophobicContact CE1-CB 3.7Å; Y793-A795 PolarHBondContact O-N 3.32Å; Y793-A795 VanDerWaalsContact O-N 3.15Å; Y793-A796 HydrophobicContact CD1-CB 3.86Å; Y793-A796 PolarHBondContact O-N 3.38Å; Y793-L797 PolarHBondContact O-N 3.24Å
794P93.8Very high95.3Very high34 Ų3439 Ų3922%0.22120%0.202CC..Hα-helixtrans-60.9-34.9-167.5-23.532.8000113.9D792 A796 L797 M798 L823 K824D792-P794 WeakPolarHBondContact O-CD 3.21Å; P794-A796 PolarHBondContact O-N 3.02Å; P794-L797 PolarHBondContact O-N 3.19Å; P794-M798 WeakPolarHBondContact O-CB 3.28Å; P794-M798 PolarHBondContact O-N 3.2Å; P794-L823 HydrophobicContact CB-CB 4.44Å; P794-L823 HydrophobicContact CG-CB 3.81Å; P794-K824 HydrophobicContact CB-CB 4.09Å; P794-K824 HydrophobicContact CG-CB 4.17Å
795A94.5Very high95.2Very high29 Ų2937 Ų3724%0.2419%0.194CC..Hα-helixtrans-74.4-23.2-178.900000113.4F764 Y793 N799F764-A795 HydrophobicContact CZ-CB 4.49Å; Y793-A795 VanDerWaalsContact C-N 3.3Å; Y793-A795 HydrophobicContact CD1-CB 4.22Å; Y793-A795 HydrophobicContact CE1-CB 3.7Å; Y793-A795 PolarHBondContact O-N 3.32Å; Y793-A795 VanDerWaalsContact O-N 3.15Å; A795-N799 WeakPolarHBondContact O-CB 3.49Å; A795-N799 PolarHBondContact O-N 3.41Å; A795-N799 PolarHBondContact O-ND2 2.99Å
796A94.3Very high95.1Very high0 Ų037.8 Ų37.80%020%0.204CC..Hα-helixtrans-69.9-48.7170.500000110.1F760 F764 A787 Y793 P794 N799 L800F760-A796 HydrophobicContact CE2-CB 4.04Å; F760-A796 HydrophobicContact CZ-CB 4.26Å; F764-A796 HydrophobicContact CD2-CB 4.34Å; F764-A796 HydrophobicContact CE2-CB 4.36Å; A787-A796 HydrophobicContact CB-CB 4.45Å; Y793-A796 HydrophobicContact CD1-CB 3.86Å; Y793-A796 PolarHBondContact O-N 3.38Å; P794-A796 PolarHBondContact O-N 3.02Å; A796-N799 PolarHBondContact O-N 2.95Å; A796-L800 VanDerWaalsContact O-CB 3.26Å; A796-L800 WeakPolarHBondContact O-CB 3.34Å; A796-L800 PolarHBondContact O-N 3.46Å
797L95.9Very high95Very high12 Ų1239.9 Ų39.96%0.06322%0.216CC..Hα-helixtrans-62.6-43.9177.2-65167000112.6A787 P791 Y793 P794 N799 L800 G801 R819 A820 L823A787-L797 HydrophobicContact CB-CD2 4.32Å; P791-L797 WeakPolarHBondContact O-CD1 3.49Å; Y793-L797 PolarHBondContact O-N 3.24Å; P794-L797 PolarHBondContact O-N 3.19Å; L797-N799 PolarHBondContact O-N 2.92Å; L797-L800 PolarHBondContact O-N 2.92Å; L797-G801 PolarHBondContact O-N 3.12Å; L797-R819 HydrophobicContact CD1-CB 4.28Å; L797-R819 HydrophobicContact CD1-CG 3.67Å; L797-R819 HydrophobicContact CD2-CG 4.44Å; L797-A820 HydrophobicContact CB-CB 3.88Å; L797-L823 HydrophobicContact CD1-CD1 3.51Å
798M95.8Very high94.9Very high29 Ų2941.9 Ų41.914%0.14324%0.237CC..Hα-helixtrans-58.2-49.3174.6173.1-169.968.500111.6P794 L800 G801 A802 Y817 A820 I829 T830P794-M798 WeakPolarHBondContact O-CB 3.28Å; P794-M798 PolarHBondContact O-N 3.2Å; M798-L800 VanDerWaalsContact C-N 3.35Å; M798-G801 PolarHBondContact O-N 3.22Å; M798-A802 WeakPolarHBondContact O-CB 3.43Å; M798-A802 PolarHBondContact O-N 3.22Å; M798-Y817 WeakPolarHBondContact O-CE1 3.35Å; M798-A820 HydrophobicContact CB-CB 4.39Å; M798-I829 HydrophobicContact SD-CB 4.42Å; M798-I829 HydrophobicContact SD-CG2 4.03Å; M798-T830 WeakPolarHBondContact CG-OG1 3.05Å; M798-T830 PolarHBondContact SD-OG1 3.2Å; M798-T830 VanDerWaalsContact SD-OG1 3.36Å
799N96.4Very high94.8Very high19 Ų1942.3 Ų42.310%0.10223%0.23CC..Hα-helixtrans-71.8-31.8-177.6-76.7-67.8000112.1R771 Y783 A795 A796 L797 A802 I803R771-N799 PolarHBondContact NH1-OD1 2.89Å; Y783-N799 HydrophobicContact CD1-CB 3.85Å; Y783-N799 HydrophobicContact CE1-CB 3.41Å; Y783-N799 VanDerWaalsContact CE1-CB 3.41Å; Y783-N799 HydrophobicContact CE2-CB 4.18Å; Y783-N799 HydrophobicContact CG-CB 4.44Å; A795-N799 WeakPolarHBondContact O-CB 3.49Å; A795-N799 PolarHBondContact O-N 3.41Å; A795-N799 PolarHBondContact O-ND2 2.99Å; A796-N799 PolarHBondContact O-N 2.95Å; L797-N799 PolarHBondContact O-N 2.92Å; N799-A802 PolarHBondContact O-N 3.3Å; N799-I803 PolarHBondContact O-N 3.48Å
800L97.1Very high94.8Very high8 Ų840 Ų404%0.04222%0.218CC..Hα-helixtrans-62.6-47.1168.9178.551.2000111.2K784 A787 A796 L797 M798 A802 I803 L804 N816K784-L800 HydrophobicContact CB-CD1 4.49Å; K784-L800 HydrophobicContact CD-CD1 4.49Å; K784-L800 HydrophobicContact CG-CD1 3.51Å; K784-L800 HydrophobicContact CG-CD2 4.03Å; K784-L800 HydrophobicContact CG-CG 4.44Å; A787-L800 HydrophobicContact CB-CD2 3.69Å; A796-L800 VanDerWaalsContact O-CB 3.26Å; A796-L800 WeakPolarHBondContact O-CB 3.34Å; A796-L800 PolarHBondContact O-N 3.46Å; L797-L800 PolarHBondContact O-N 2.92Å; M798-L800 VanDerWaalsContact C-N 3.35Å; L800-A802 VanDerWaalsContact C-N 3.27Å; L800-A802 PolarHBondContact O-N 3.29Å; L800-I803 HydrophobicContact CD1-CG2 4.19Å; L800-I803 WeakPolarHBondContact O-CG2 3.44Å; L800-I803 PolarHBondContact O-N 2.73Å; L800-L804 HydrophobicContact CD1-CD1 3.68Å; L800-L804 HydrophobicContact CD1-CG 3.89Å; L800-L804 HydrophobicContact CG-CD1 3.77Å; L800-L804 HydrophobicContact CG-CG 4.45Å; L800-L804 WeakPolarHBondContact O-CB 3.31Å; L800-L804 WeakPolarHBondContact O-CD1 3.29Å; L800-L804 WeakPolarHBondContact O-CG 3.25Å; L800-L804 PolarHBondContact O-N 3.02Å; L800-N816 WeakPolarHBondContact CD2-OD1 3.28Å
801G96.1Very high94.6Very high0 Ų039 Ų390%022%0.224CC..Hα-helixtrans-57.1-41.1172.400000112.3L797 M798 H805 A813 Y817L797-G801 PolarHBondContact O-N 3.12Å; M798-G801 PolarHBondContact O-N 3.22Å; G801-H805 VanDerWaalsContact O-CB 3.24Å; G801-H805 WeakPolarHBondContact O-CB 3.43Å; G801-H805 PolarHBondContact O-N 3.13Å; G801-A813 WeakPolarHBondContact O-CB 3.47Å; G801-Y817 VanDerWaalsContact C-CZ 3.5Å
802A95.8Very high94.7Very high15 Ų1539.4 Ų39.412%0.12422%0.22CC..Hα-helixtrans-65.8-41.3177.400000114.1M798 N799 L800 L806 Y817M798-A802 WeakPolarHBondContact O-CB 3.43Å; M798-A802 PolarHBondContact O-N 3.22Å; N799-A802 PolarHBondContact O-N 3.3Å; L800-A802 VanDerWaalsContact C-N 3.27Å; L800-A802 PolarHBondContact O-N 3.29Å; A802-L806 WeakPolarHBondContact O-CG 3.39Å; A802-L806 PolarHBondContact O-N 3.1Å; A802-L806 VanDerWaalsContact O-N 3.11Å; A802-Y817 WeakPolarHBondContact CA-OH 3.34Å; A802-Y817 HydrophobicContact CB-CE1 4.47Å; A802-Y817 PolarHBondContact N-OH 3.4Å
803I96.9Very high94.8Very high0 Ų034.6 Ų34.60%020%0.195CC..Hα-helixtrans-74.5-34.7177.7-158.961.7000112R771 N776 A779 E780 Y783 N799 L800 L806 N807R771-I803 HydrophobicContact CB-CD1 4.48Å; R771-I803 HydrophobicContact CG-CD1 3.92Å; N776-I803 HydrophobicContact CB-CD1 3.75Å; N776-I803 HydrophobicContact CB-CG1 4.45Å; N776-I803 WeakPolarHBondContact O-CG1 3.2Å; A779-I803 HydrophobicContact CB-CD1 4.08Å; A779-I803 HydrophobicContact CB-CG1 3.98Å; E780-I803 HydrophobicContact CB-CG1 4.34Å; E780-I803 HydrophobicContact CB-CG2 4.03Å; E780-I803 HydrophobicContact CG-CG2 4.23Å; Y783-I803 HydrophobicContact CD2-CB 4.17Å; Y783-I803 HydrophobicContact CD2-CG2 3.88Å; Y783-I803 HydrophobicContact CG-CG2 4.49Å; N799-I803 PolarHBondContact O-N 3.48Å; L800-I803 HydrophobicContact CD1-CG2 4.19Å; L800-I803 WeakPolarHBondContact O-CG2 3.44Å; L800-I803 PolarHBondContact O-N 2.73Å; I803-L806 HydrophobicContact CD1-CD1 4.11Å; I803-L806 PolarHBondContact O-N 3.41Å; I803-N807 WeakPolarHBondContact O-CB 3.49Å; I803-N807 VanDerWaalsContact O-CG 3.28Å; I803-N807 PolarHBondContact O-N 2.95Å
804L96.4Very high94.8Very high0 Ų031.7 Ų31.70%018%0.184CC..Hα-helixtrans-63.8-40172.7-71.2166.2000112E780 L800 N807 G808 K809 E812 A813E780-L804 HydrophobicContact CG-CD2 3.9Å; L800-L804 HydrophobicContact CD1-CD1 3.68Å; L800-L804 HydrophobicContact CD1-CG 3.89Å; L800-L804 HydrophobicContact CG-CD1 3.77Å; L800-L804 HydrophobicContact CG-CG 4.45Å; L800-L804 WeakPolarHBondContact O-CB 3.31Å; L800-L804 WeakPolarHBondContact O-CD1 3.29Å; L800-L804 WeakPolarHBondContact O-CG 3.25Å; L800-L804 PolarHBondContact O-N 3.02Å; L804-N807 CarbonylContact O-C 3.57Å; L804-N807 PolarHBondContact O-N 2.65Å; L804-G808 PolarHBondContact O-N 3.49Å; L804-G808 VanDerWaalsContact O-N 3.14Å; L804-K809 HydrophobicContact CB-CB 4.26Å; L804-K809 HydrophobicContact CD2-CB 3.88Å; L804-K809 HydrophobicContact CD2-CD 3.66Å; L804-K809 HydrophobicContact CD2-CG 4.41Å; L804-K809 PolarHBondContact O-N 2.81Å; L804-E812 HydrophobicContact CD1-CB 3.78Å; L804-E812 HydrophobicContact CD2-CB 4.15Å; L804-E812 HydrophobicContact CG-CB 4.43Å; L804-A813 HydrophobicContact CB-CB 3.8Å
805H94.3Very high94.9Very high33 Ų3332.7 Ų32.715%0.15320%0.196CC..Hα-helixtrans-61.3-46.5173.7-174.7176.1000111G801 N807 G808 A813 L837 I840G801-H805 VanDerWaalsContact O-CB 3.24Å; G801-H805 WeakPolarHBondContact O-CB 3.43Å; G801-H805 PolarHBondContact O-N 3.13Å; H805-N807 VanDerWaalsContact C-N 3.31Å; H805-N807 PolarHBondContact O-N 3.01Å; H805-G808 PolarHBondContact O-N 3.46Å; H805-G808 VanDerWaalsContact O-N 3.17Å; H805-A813 HydrophobicContact CB-CB 3.99Å; H805-L837 HydrophobicContact CB-CD1 4.23Å; H805-L837 VanDerWaalsContact CD2-CD1 3.5Å; H805-L837 WeakPolarHBondContact CD2-CD1 3.38Å; H805-I840 WeakPolarHBondContact NE2-CD1 3.43Å
806L93.4Very high95Very high113 Ų11332.7 Ų32.759%0.59219%0.191SC*.Hα-helixtrans-63-35.4175-70.9169.6000112.8A802 I803 G808A802-L806 WeakPolarHBondContact O-CG 3.39Å; A802-L806 PolarHBondContact O-N 3.1Å; A802-L806 VanDerWaalsContact O-N 3.11Å; I803-L806 HydrophobicContact CD1-CD1 4.11Å; I803-L806 PolarHBondContact O-N 3.41Å; L806-G808 VanDerWaalsContact C-N 3.25Å; L806-G808 PolarHBondContact O-N 3.01Å
807N94.6Very high95.1Very high45 Ų4532.8 Ų32.824%0.24119%0.192CC..THydrogen-bonded Turntrans-82.26176.8-67.9-9.7000113.7N776 E780 I803 L804 H805 K809N776-N807 WeakPolarHBondContact CB-OD1 3.23Å; N776-N807 PolarHBondContact O-ND2 3.31Å; N776-N807 VanDerWaalsContact O-ND2 3.14Å; E780-N807 PolarHBondContact OE2-ND2 3.35Å; I803-N807 WeakPolarHBondContact O-CB 3.49Å; I803-N807 VanDerWaalsContact O-CG 3.28Å; I803-N807 PolarHBondContact O-N 2.95Å; L804-N807 CarbonylContact O-C 3.57Å; L804-N807 PolarHBondContact O-N 2.65Å; H805-N807 VanDerWaalsContact C-N 3.31Å; H805-N807 PolarHBondContact O-N 3.01Å; N807-K809 VanDerWaalsContact C-N 3.26Å; N807-K809 PolarHBondContact O-N 3.02Å
808G91.8Very high95.1Very high52 Ų5235.7 Ų35.754%0.53621%0.207SC..THydrogen-bonded Turntrans73.97.5178.400000115.6L804 H805 L806 L810L804-G808 PolarHBondContact O-N 3.49Å; L804-G808 VanDerWaalsContact O-N 3.14Å; H805-G808 PolarHBondContact O-N 3.46Å; H805-G808 VanDerWaalsContact O-N 3.17Å; L806-G808 VanDerWaalsContact C-N 3.25Å; L806-G808 PolarHBondContact O-N 3.01Å; G808-L810 PolarHBondContact O-N 3.49Å
809K94.7Very high95Very high78 Ų7839.3 Ų39.334%0.33922%0.219SC..  trans-83.660.8178.6-68.1172179.8161.20110.7E780 L804 N807 E812 A813E780-K809 IonicContact OE1-NZ 2.74Å; E780-K809 PolarHBondContact OE1-NZ 2.88Å; E780-K809 IonicContact OE2-NZ 2.69Å; E780-K809 PolarHBondContact OE2-NZ 3.43Å; L804-K809 HydrophobicContact CB-CB 4.26Å; L804-K809 HydrophobicContact CD2-CB 3.88Å; L804-K809 HydrophobicContact CD2-CD 3.66Å; L804-K809 HydrophobicContact CD2-CG 4.41Å; L804-K809 PolarHBondContact O-N 2.81Å; N807-K809 VanDerWaalsContact C-N 3.26Å; N807-K809 PolarHBondContact O-N 3.02Å; K809-E812 HydrophobicContact CB-CB 4.38Å; K809-E812 PolarHBondContact O-N 3.1Å; K809-A813 PolarHBondContact O-N 3.46Å
810L93.5Very high95Very high6 Ų638.5 Ų38.53%0.03122%0.215CC..Hα-helixtrans-59.4-42-164.8-46.8-173.2000114.5G808 A813 E814 L837 I840 M841 Q844 L846G808-L810 PolarHBondContact O-N 3.49Å; L810-A813 WeakPolarHBondContact O-CB 3.26Å; L810-A813 PolarHBondContact O-N 3.09Å; L810-E814 PolarHBondContact O-N 3.35Å; L810-L837 HydrophobicContact CB-CD1 3.89Å; L810-L837 HydrophobicContact CD2-CD1 3.67Å; L810-L837 HydrophobicContact CG-CD1 4.25Å; L810-I840 HydrophobicContact CD1-CG2 3.84Å; L810-M841 HydrophobicContact CB-CG 3.71Å; L810-M841 HydrophobicContact CB-SD 4.01Å; L810-M841 HydrophobicContact CD1-CG 3.68Å; L810-M841 HydrophobicContact CG-CG 4.34Å; L810-Q844 VanDerWaalsContact CD1-OE1 3.26Å; L810-L846 HydrophobicContact CD1-CD1 4.05Å
811P92.1Very high94.9Very high80 Ų8039.4 Ų39.452%0.51922%0.22SC..Hα-helixtrans-67.6-37.1177.5-2134.3000113.5A813 E814 A815P811-A813 VanDerWaalsContact C-N 3.31Å; P811-E814 PolarHBondContact O-N 3.19Å; P811-A815 PolarHBondContact O-N 3.28Å; P811-A815 VanDerWaalsContact O-N 3.15Å
812E94.2Very high94.9Very high82 Ų8245.7 Ų45.738%0.38325%0.249SC..Hα-helixtrans-66.1-37.6173.6-64.8177.1-124.100110.7K784 L804 K809 N816K784-E812 IonicContact NZ-OE2 2.7Å; K784-E812 PolarHBondContact NZ-OE2 3.26Å; L804-E812 HydrophobicContact CD1-CB 3.78Å; L804-E812 HydrophobicContact CD2-CB 4.15Å; L804-E812 HydrophobicContact CG-CB 4.43Å; K809-E812 HydrophobicContact CB-CB 4.38Å; K809-E812 PolarHBondContact O-N 3.1Å; E812-N816 PolarHBondContact O-N 3.21Å; E812-N816 PolarHBondContact O-ND2 2.89Å
813A95.4Very high94.8Very high0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-64.2-44176.500000112.3G801 L804 H805 K809 L810 P811 N816 Y817 L837G801-A813 WeakPolarHBondContact O-CB 3.47Å; L804-A813 HydrophobicContact CB-CB 3.8Å; H805-A813 HydrophobicContact CB-CB 3.99Å; K809-A813 PolarHBondContact O-N 3.46Å; L810-A813 WeakPolarHBondContact O-CB 3.26Å; L810-A813 PolarHBondContact O-N 3.09Å; P811-A813 VanDerWaalsContact C-N 3.31Å; A813-N816 PolarHBondContact O-N 3.1Å; A813-Y817 VanDerWaalsContact O-CD2 3.3Å; A813-Y817 WeakPolarHBondContact O-CD2 3.47Å; A813-Y817 PolarHBondContact O-N 3.34Å; A813-L837 HydrophobicContact CB-CD1 4.15Å; A813-L837 HydrophobicContact CB-CD2 3.85Å
814E95Very high94.7Very high30 Ų3053.1 Ų53.114%0.1428%0.282CS..Hα-helixtrans-58.8-50.8176.8177.2174.4-137.200111L810 P811 N816 Y817 L818 L834 L837 W838 M841L810-E814 PolarHBondContact O-N 3.35Å; P811-E814 PolarHBondContact O-N 3.19Å; E814-N816 VanDerWaalsContact C-N 3.31Å; E814-N816 PolarHBondContact O-N 2.89Å; E814-Y817 PolarHBondContact O-N 3.23Å; E814-L818 HydrophobicContact CG-CD1 3.83Å; E814-L818 HydrophobicContact CG-CG 4.39Å; E814-L818 WeakPolarHBondContact O-CB 3.34Å; E814-L818 WeakPolarHBondContact O-CG 3.44Å; E814-L818 PolarHBondContact O-N 3.42Å; E814-L834 HydrophobicContact CG-CD1 4.25Å; E814-L837 HydrophobicContact CB-CD2 3.77Å; E814-L837 VanDerWaalsContact N-CD2 3.33Å; E814-W838 PolarHBondContact OE1-NE1 3.01Å; E814-M841 HydrophobicContact CB-SD 4.48Å
815A94.9Very high94.6Very high56 Ų5656.9 Ų56.946%0.46331%0.306SS..Hα-helixtrans-58.4-41.6179.200000112.6P811 R819P811-A815 PolarHBondContact O-N 3.28Å; P811-A815 VanDerWaalsContact O-N 3.15Å; A815-R819 WeakPolarHBondContact O-CB 3.21Å; A815-R819 PolarHBondContact O-N 2.9Å
816N96.1Very high94.5Very high28 Ų2862.1 Ų62.115%0.1534%0.335CS..Hα-helixtrans-69.8-39.5178.3-81.8-83.2000112.8L800 E812 A813 E814 R819 A820L800-N816 WeakPolarHBondContact CD2-OD1 3.28Å; E812-N816 PolarHBondContact O-N 3.21Å; E812-N816 PolarHBondContact O-ND2 2.89Å; A813-N816 PolarHBondContact O-N 3.1Å; E814-N816 VanDerWaalsContact C-N 3.31Å; E814-N816 PolarHBondContact O-N 2.89Å; N816-R819 PolarHBondContact O-N 3.43Å; N816-A820 WeakPolarHBondContact O-CB 3.37Å; N816-A820 PolarHBondContact O-N 2.82Å
817Y96.5Very high94.4Very high3 Ų357.8 Ų57.81%0.01231%0.313CS..Hα-helixtrans-66-43173.9-71-38.4000112.4M798 G801 A802 A813 E814 A820 L821 T830 N833 L834 L837M798-Y817 WeakPolarHBondContact O-CE1 3.35Å; G801-Y817 VanDerWaalsContact C-CZ 3.5Å; A802-Y817 WeakPolarHBondContact CA-OH 3.34Å; A802-Y817 HydrophobicContact CB-CE1 4.47Å; A802-Y817 PolarHBondContact N-OH 3.4Å; A813-Y817 VanDerWaalsContact O-CD2 3.3Å; A813-Y817 WeakPolarHBondContact O-CD2 3.47Å; A813-Y817 PolarHBondContact O-N 3.34Å; E814-Y817 PolarHBondContact O-N 3.23Å; Y817-A820 PolarHBondContact O-N 2.92Å; Y817-L821 WeakPolarHBondContact O-CG 3.31Å; Y817-L821 PolarHBondContact O-N 2.87Å; Y817-T830 HydrophobicContact CD1-CG2 3.8Å; Y817-T830 HydrophobicContact CG-CG2 4.2Å; Y817-N833 HydrophobicContact CE1-CB 4.05Å; Y817-N833 HydrophobicContact CE2-CB 4.14Å; Y817-N833 WeakPolarHBondContact OH-CB 3.31Å; Y817-L834 HydrophobicContact CD2-CB 4.19Å; Y817-L834 HydrophobicContact CD2-CD1 4.14Å; Y817-L834 HydrophobicContact CG-CB 4.45Å; Y817-L837 HydrophobicContact CD2-CD2 3.84Å; Y817-L837 HydrophobicContact CE2-CB 4.39Å; Y817-L837 HydrophobicContact CE2-CD2 4.01Å
818L95.3Very high94.4Very high73 Ų7358.7 Ų58.738%0.38233%0.326SS..Hα-helixtrans-62.4-42.4175.7-71.4172.3000111.2E814 L821 Q822 L834 W838E814-L818 HydrophobicContact CG-CD1 3.83Å; E814-L818 HydrophobicContact CG-CG 4.39Å; E814-L818 WeakPolarHBondContact O-CB 3.34Å; E814-L818 WeakPolarHBondContact O-CG 3.44Å; E814-L818 PolarHBondContact O-N 3.42Å; L818-L821 PolarHBondContact O-N 3.32Å; L818-Q822 WeakPolarHBondContact O-CG 3.49Å; L818-Q822 PolarHBondContact O-N 3.41Å; L818-L834 HydrophobicContact CD2-CD2 3.74Å; L818-L834 HydrophobicContact CG-CD2 4.27Å; L818-W838 HydrophobicContact CD2-CZ2 4.49Å
819R94.7Very high94.4Very high104 Ų10461.2 Ų61.239%0.39233%0.326SS..Hα-helixtrans-65.2-38.9174.9-174.561.1-176.7174.92.3112.4D792 L797 A815 N816 L821 Q822 L823D792-R819 IonicContact OD1-CZ 2.76Å; D792-R819 IonicContact OD1-NH2 3.36Å; D792-R819 PolarHBondContact OD1-NH2 3.46Å; L797-R819 HydrophobicContact CD1-CB 4.28Å; L797-R819 HydrophobicContact CD1-CG 3.67Å; L797-R819 HydrophobicContact CD2-CG 4.44Å; A815-R819 WeakPolarHBondContact O-CB 3.21Å; A815-R819 PolarHBondContact O-N 2.9Å; N816-R819 PolarHBondContact O-N 3.43Å; R819-L821 VanDerWaalsContact C-N 3.34Å; R819-Q822 VanDerWaalsContact NH1-OE1 3.08Å; R819-Q822 PolarHBondContact O-N 3.22Å; R819-L823 WeakPolarHBondContact O-CG 3.38Å; R819-L823 PolarHBondContact O-N 3.47Å
820A95.7Very high94.4Very high2 Ų257.5 Ų57.52%0.01731%0.31CS..Hα-helixtrans-62.1-41.1173.700000111.8L797 M798 N816 Y817 L823 K824 T830L797-A820 HydrophobicContact CB-CB 3.88Å; M798-A820 HydrophobicContact CB-CB 4.39Å; N816-A820 WeakPolarHBondContact O-CB 3.37Å; N816-A820 PolarHBondContact O-N 2.82Å; Y817-A820 PolarHBondContact O-N 2.92Å; A820-L823 PolarHBondContact O-N 2.83Å; A820-K824 PolarHBondContact O-N 2.93Å; A820-T830 HydrophobicContact CB-CG2 4.26Å
821L95.8Very high94.4Very high27 Ų2760.9 Ų60.914%0.14133%0.325CS..Hα-helixtrans-71.7-31.7176.4-68.9172000113.3Y817 L818 R819 L823 K824 P825 D827 T830 Q831 L834Y817-L821 WeakPolarHBondContact O-CG 3.31Å; Y817-L821 PolarHBondContact O-N 2.87Å; L818-L821 PolarHBondContact O-N 3.32Å; R819-L821 VanDerWaalsContact C-N 3.34Å; L821-L823 PolarHBondContact O-N 2.88Å; L821-K824 CarbonylContact O-C 3.49Å; L821-K824 PolarHBondContact O-N 3.36Å; L821-P825 WeakPolarHBondContact O-CA 3.36Å; L821-P825 WeakPolarHBondContact O-CD 3.35Å; L821-P825 WeakPolarHBondContact O-CG 3.25Å; L821-D827 HydrophobicContact CD2-CB 4.33Å; L821-T830 HydrophobicContact CD1-CG2 4.04Å; L821-T830 HydrophobicContact CD2-CG2 3.84Å; L821-T830 HydrophobicContact CG-CG2 3.61Å; L821-Q831 HydrophobicContact CD1-CG 4.22Å; L821-Q831 HydrophobicContact CD2-CG 3.72Å; L821-L834 HydrophobicContact CD1-CD2 3.77Å
822Q95.3Very high94.5Very high132 Ų13259.1 Ų59.162%0.61732%0.315SS*.Hα-helixtrans-58.9-35.9170.2-76.3174.7-1.200112.1L818 R819L818-Q822 WeakPolarHBondContact O-CG 3.49Å; L818-Q822 PolarHBondContact O-N 3.41Å; R819-Q822 VanDerWaalsContact NH1-OE1 3.08Å; R819-Q822 PolarHBondContact O-N 3.22Å
823L93.9Very high94.5Very high63 Ų6356.9 Ų56.933%0.3331%0.306SS..Hα-helixtrans-87.1-26.3179.4-61164.8000112.8D792 P794 L797 R819 A820 L821D792-L823 HydrophobicContact CB-CD1 4.33Å; D792-L823 HydrophobicContact CB-CD2 4.16Å; P794-L823 HydrophobicContact CB-CB 4.44Å; P794-L823 HydrophobicContact CG-CB 3.81Å; L797-L823 HydrophobicContact CD1-CD1 3.51Å; R819-L823 WeakPolarHBondContact O-CG 3.38Å; R819-L823 PolarHBondContact O-N 3.47Å; A820-L823 PolarHBondContact O-N 2.83Å; L821-L823 PolarHBondContact O-N 2.88Å
824K95.3Very high94.4Very high109 Ų10957 Ų5747%0.47431%0.307SS..  trans-145.583.6177.5-169.8-178.5175.4-170.80111P794 A820 L821 D826 D827P794-K824 HydrophobicContact CB-CB 4.09Å; P794-K824 HydrophobicContact CG-CB 4.17Å; A820-K824 PolarHBondContact O-N 2.93Å; L821-K824 CarbonylContact O-C 3.49Å; L821-K824 PolarHBondContact O-N 3.36Å; K824-D826 VanDerWaalsContact C-N 3.29Å; K824-D826 PolarHBondContact O-N 2.87Å; K824-D827 HydrophobicContact CD-CB 4.12Å; K824-D827 HydrophobicContact CG-CB 4.25Å; K824-D827 PolarHBondContact O-N 3.33Å
825P93.3Very high94.3Very high79 Ų7962.5 Ų62.551%0.51333%0.326SS..THydrogen-bonded Turntrans-59.3-37-174.1-27.535.7000114.1L821 D827 Q831L821-P825 WeakPolarHBondContact O-CA 3.36Å; L821-P825 WeakPolarHBondContact O-CD 3.35Å; L821-P825 WeakPolarHBondContact O-CG 3.25Å; P825-D827 PolarHBondContact O-N 3.27Å; P825-Q831 PolarHBondContact O-NE2 2.88Å
826D92.3Very high94.2Very high143 Ų14365.1 Ų65.177%0.76533%0.327SS*.THydrogen-bonded Turntrans-81.110.5-173.3-52.5-43.5000114.4K824 A828K824-D826 VanDerWaalsContact C-N 3.29Å; K824-D826 PolarHBondContact O-N 2.87Å; D826-A828 PolarHBondContact O-N 2.93Å
827D93.2Very high94Very high22 Ų2263.8 Ų63.812%0.11832%0.32CS..  trans-76.587.6178.8-174.914.7000112.6L821 K824 P825 I829 T830 Q831L821-D827 HydrophobicContact CD2-CB 4.33Å; K824-D827 HydrophobicContact CD-CB 4.12Å; K824-D827 HydrophobicContact CG-CB 4.25Å; K824-D827 PolarHBondContact O-N 3.33Å; P825-D827 PolarHBondContact O-N 3.27Å; D827-I829 PolarHBondContact O-N 3.38Å; D827-I829 VanDerWaalsContact O-N 3.09Å; D827-I829 PolarHBondContact OD1-N 3.5Å; D827-I829 VanDerWaalsContact OD1-N 3.15Å; D827-T830 PolarHBondContact O-N 3.16Å; D827-T830 VanDerWaalsContact OD2-CB 3.32Å; D827-T830 WeakPolarHBondContact OD2-CB 3.17Å; D827-T830 PolarHBondContact OD2-OG1 2.9Å; D827-Q831 WeakPolarHBondContact O-CG 3.41Å; D827-Q831 PolarHBondContact O-N 3.17Å
828A92.9Very high93.8Very high63 Ų6367.3 Ų67.352%0.52133%0.333SS..Hα-helixtrans-52.8-28.617700000114.1D826 S832D826-A828 PolarHBondContact O-N 2.93Å; A828-S832 WeakPolarHBondContact O-CB 3.32Å; A828-S832 PolarHBondContact O-N 3.38Å
829I93.5Very high93.5Very high106 Ų10668.5 Ų68.554%0.54434%0.34SS..Hα-helixtrans-70.1-49.7176.5-62176.3000109.5M798 D827 S832 N833M798-I829 HydrophobicContact SD-CB 4.42Å; M798-I829 HydrophobicContact SD-CG2 4.03Å; D827-I829 PolarHBondContact O-N 3.38Å; D827-I829 VanDerWaalsContact O-N 3.09Å; D827-I829 PolarHBondContact OD1-N 3.5Å; D827-I829 VanDerWaalsContact OD1-N 3.15Å; I829-S832 PolarHBondContact O-N 2.82Å; I829-N833 WeakPolarHBondContact O-CB 3.44Å; I829-N833 VanDerWaalsContact O-CG 3.26Å; I829-N833 PolarHBondContact O-N 2.92Å; I829-N833 PolarHBondContact O-ND2 2.9Å
830T93.1Very high93.3Very high0 Ų066.5 Ų66.50%034%0.337CS..Hα-helixtrans-62.4-44.8176.2-63.60000111.6M798 Y817 A820 L821 D827 S832 N833 L834M798-T830 WeakPolarHBondContact CG-OG1 3.05Å; M798-T830 PolarHBondContact SD-OG1 3.2Å; M798-T830 VanDerWaalsContact SD-OG1 3.36Å; Y817-T830 HydrophobicContact CD1-CG2 3.8Å; Y817-T830 HydrophobicContact CG-CG2 4.2Å; A820-T830 HydrophobicContact CB-CG2 4.26Å; L821-T830 HydrophobicContact CD1-CG2 4.04Å; L821-T830 HydrophobicContact CD2-CG2 3.84Å; L821-T830 HydrophobicContact CG-CG2 3.61Å; D827-T830 PolarHBondContact O-N 3.16Å; D827-T830 VanDerWaalsContact OD2-CB 3.32Å; D827-T830 WeakPolarHBondContact OD2-CB 3.17Å; D827-T830 PolarHBondContact OD2-OG1 2.9Å; T830-S832 VanDerWaalsContact C-N 3.31Å; T830-S832 PolarHBondContact O-N 3.3Å; T830-N833 PolarHBondContact O-N 3.05Å; T830-L834 WeakPolarHBondContact O-CB 3.26Å; T830-L834 PolarHBondContact O-N 3.19Å
831Q93.4Very high93Very high76 Ų7666.9 Ų66.936%0.35534%0.338SS..Hα-helixtrans-59.7-37.7175.1-65.4178.63.500113.1L821 P825 D827 R835L821-Q831 HydrophobicContact CD1-CG 4.22Å; L821-Q831 HydrophobicContact CD2-CG 3.72Å; P825-Q831 PolarHBondContact O-NE2 2.88Å; D827-Q831 WeakPolarHBondContact O-CG 3.41Å; D827-Q831 PolarHBondContact O-N 3.17Å; Q831-R835 WeakPolarHBondContact O-CG 3.24Å; Q831-R835 PolarHBondContact O-N 3.17Å; Q831-R835 VanDerWaalsContact O-N 3.15Å; Q831-R835 PolarHBondContact O-NE 3.34Å
832S94.4Very high92.6Very high43 Ų4369.3 Ų69.330%0.30135%0.349SS..Hα-helixtrans-68.6-42.8176.4-175.70000111.4A828 I829 T830 R835 K836A828-S832 WeakPolarHBondContact O-CB 3.32Å; A828-S832 PolarHBondContact O-N 3.38Å; I829-S832 PolarHBondContact O-N 2.82Å; T830-S832 VanDerWaalsContact C-N 3.31Å; T830-S832 PolarHBondContact O-N 3.3Å; S832-R835 PolarHBondContact O-N 3.49Å; S832-K836 WeakPolarHBondContact O-CG 3.34Å; S832-K836 PolarHBondContact O-N 2.9Å; S832-K836 VanDerWaalsContact O-N 3.09Å
833N94Very high92.1Very high35 Ų3573.7 Ų73.719%0.18736%0.359CS..Hα-helixtrans-68.2-39.4178.5-70.5-23.1000112.7Y817 I829 T830 K836 L837Y817-N833 HydrophobicContact CE1-CB 4.05Å; Y817-N833 HydrophobicContact CE2-CB 4.14Å; Y817-N833 WeakPolarHBondContact OH-CB 3.31Å; I829-N833 WeakPolarHBondContact O-CB 3.44Å; I829-N833 VanDerWaalsContact O-CG 3.26Å; I829-N833 PolarHBondContact O-N 2.92Å; I829-N833 PolarHBondContact O-ND2 2.9Å; T830-N833 PolarHBondContact O-N 3.05Å; N833-K836 WeakPolarHBondContact O-CB 3.47Å; N833-K836 PolarHBondContact O-N 3.31Å; N833-L837 WeakPolarHBondContact O-CB 3.37Å; N833-L837 PolarHBondContact O-N 3.46Å
834L93.5Very high91.7Very high4 Ų476.4 Ų76.42%0.02137%0.37CS..Hα-helixtrans-64.4-42.1174.7-17957.4000111.9E814 Y817 L818 L821 T830 K836 L837 W838E814-L834 HydrophobicContact CG-CD1 4.25Å; Y817-L834 HydrophobicContact CD2-CB 4.19Å; Y817-L834 HydrophobicContact CD2-CD1 4.14Å; Y817-L834 HydrophobicContact CG-CB 4.45Å; L818-L834 HydrophobicContact CD2-CD2 3.74Å; L818-L834 HydrophobicContact CG-CD2 4.27Å; L821-L834 HydrophobicContact CD1-CD2 3.77Å; T830-L834 WeakPolarHBondContact O-CB 3.26Å; T830-L834 PolarHBondContact O-N 3.19Å; L834-K836 VanDerWaalsContact C-N 3.34Å; L834-K836 PolarHBondContact O-N 2.96Å; L834-L837 HydrophobicContact CD1-CD2 4.22Å; L834-L837 WeakPolarHBondContact O-CB 3.4Å; L834-L837 PolarHBondContact O-N 3.13Å; L834-W838 HydrophobicContact CD1-CD2 4.21Å; L834-W838 HydrophobicContact CD1-CZ2 3.95Å; L834-W838 HydrophobicContact CD2-CH2 3.79Å; L834-W838 HydrophobicContact CD2-CZ2 3.71Å; L834-W838 HydrophobicContact CD2-CZ3 4.41Å; L834-W838 HydrophobicContact CG-CD2 4.07Å; L834-W838 HydrophobicContact CG-CE3 4.27Å; L834-W838 HydrophobicContact CG-CH2 3.97Å; L834-W838 HydrophobicContact CG-CZ2 3.75Å; L834-W838 HydrophobicContact CG-CZ3 4.22Å; L834-W838 PolarHBondContact O-N 3.22Å
835R92.6Very high91Very high144 Ų14474.1 Ų74.154%0.54338%0.378SS..Hα-helixtrans-61.7-39.3172.9-78.2-177.7-72.8172.8-8.3112.9Q831 S832 W838 N839Q831-R835 WeakPolarHBondContact O-CG 3.24Å; Q831-R835 PolarHBondContact O-N 3.17Å; Q831-R835 VanDerWaalsContact O-N 3.15Å; Q831-R835 PolarHBondContact O-NE 3.34Å; S832-R835 PolarHBondContact O-N 3.49Å; R835-W838 HydrophobicContact CG-CE3 4.32Å; R835-N839 PolarHBondContact O-N 3.04Å; R835-N839 VanDerWaalsContact O-N 3.15Å; R835-N839 PolarHBondContact O-ND2 3.48Å
836K93.1Very high90.2Very high112 Ų11274.1 Ų74.149%0.48737%0.374SS..Hα-helixtrans-63.2-43.3173.4-70.1169.9-172.7171.80111.5S832 N833 L834 N839 I840S832-K836 WeakPolarHBondContact O-CG 3.34Å; S832-K836 PolarHBondContact O-N 2.9Å; S832-K836 VanDerWaalsContact O-N 3.09Å; N833-K836 WeakPolarHBondContact O-CB 3.47Å; N833-K836 PolarHBondContact O-N 3.31Å; L834-K836 VanDerWaalsContact C-N 3.34Å; L834-K836 PolarHBondContact O-N 2.96Å; K836-N839 PolarHBondContact O-N 3.31Å; K836-I840 WeakPolarHBondContact O-CG1 3.18Å; K836-I840 PolarHBondContact O-N 3.34Å
837L93.2Very high88.9Confident0 Ų073.4 Ų73.40%036%0.363CS..Hα-helixtrans-59.5-50.3177.1-17870.3000111.3H805 L810 A813 E814 Y817 N833 L834 N839 I840 M841H805-L837 HydrophobicContact CB-CD1 4.23Å; H805-L837 VanDerWaalsContact CD2-CD1 3.5Å; H805-L837 WeakPolarHBondContact CD2-CD1 3.38Å; L810-L837 HydrophobicContact CB-CD1 3.89Å; L810-L837 HydrophobicContact CD2-CD1 3.67Å; L810-L837 HydrophobicContact CG-CD1 4.25Å; A813-L837 HydrophobicContact CB-CD1 4.15Å; A813-L837 HydrophobicContact CB-CD2 3.85Å; E814-L837 HydrophobicContact CB-CD2 3.77Å; E814-L837 VanDerWaalsContact N-CD2 3.33Å; Y817-L837 HydrophobicContact CD2-CD2 3.84Å; Y817-L837 HydrophobicContact CE2-CB 4.39Å; Y817-L837 HydrophobicContact CE2-CD2 4.01Å; N833-L837 WeakPolarHBondContact O-CB 3.37Å; N833-L837 PolarHBondContact O-N 3.46Å; L834-L837 HydrophobicContact CD1-CD2 4.22Å; L834-L837 WeakPolarHBondContact O-CB 3.4Å; L834-L837 PolarHBondContact O-N 3.13Å; L837-N839 VanDerWaalsContact C-N 3.32Å; L837-N839 PolarHBondContact O-N 3.09Å; L837-I840 PolarHBondContact O-N 2.91Å; L837-M841 HydrophobicContact CD1-SD 4.4Å; L837-M841 HydrophobicContact CD2-SD 4.26Å; L837-M841 HydrophobicContact CG-CG 4.42Å; L837-M841 HydrophobicContact CG-SD 3.88Å; L837-M841 WeakPolarHBondContact O-CG 3.39Å; L837-M841 PolarHBondContact O-N 2.97Å
838W91.9Very high87.1Confident76 Ų7676.6 Ų76.629%0.28838%0.384SS..Hα-helixtrans-58.3-40.6177.7-74.5-26.5000113.2E814 L818 L834 R835 I840 M841 E842E814-W838 PolarHBondContact OE1-NE1 3.01Å; L818-W838 HydrophobicContact CD2-CZ2 4.49Å; L834-W838 HydrophobicContact CD1-CD2 4.21Å; L834-W838 HydrophobicContact CD1-CZ2 3.95Å; L834-W838 HydrophobicContact CD2-CH2 3.79Å; L834-W838 HydrophobicContact CD2-CZ2 3.71Å; L834-W838 HydrophobicContact CD2-CZ3 4.41Å; L834-W838 HydrophobicContact CG-CD2 4.07Å; L834-W838 HydrophobicContact CG-CE3 4.27Å; L834-W838 HydrophobicContact CG-CH2 3.97Å; L834-W838 HydrophobicContact CG-CZ2 3.75Å; L834-W838 HydrophobicContact CG-CZ3 4.22Å; L834-W838 PolarHBondContact O-N 3.22Å; R835-W838 HydrophobicContact CG-CE3 4.32Å; W838-I840 VanDerWaalsContact C-N 3.25Å; W838-I840 PolarHBondContact O-N 2.91Å; W838-M841 PolarHBondContact O-N 2.83Å; W838-E842 WeakPolarHBondContact O-CB 3.32Å; W838-E842 PolarHBondContact O-N 3.2Å
839N89.4Confident84.9Confident99 Ų9983.8 Ų83.853%0.52940%0.403SS..Hα-helixtrans-62.4-31.8175.4-73.6-25000112.9R835 K836 L837 R843R835-N839 PolarHBondContact O-N 3.04Å; R835-N839 VanDerWaalsContact O-N 3.15Å; R835-N839 PolarHBondContact O-ND2 3.48Å; K836-N839 PolarHBondContact O-N 3.31Å; L837-N839 VanDerWaalsContact C-N 3.32Å; L837-N839 PolarHBondContact O-N 3.09Å; N839-R843 VanDerWaalsContact O-CG 3.3Å; N839-R843 WeakPolarHBondContact O-CG 3.48Å; N839-R843 PolarHBondContact O-N 3.05Å
840I90Very high82.7Confident62 Ų6287.5 Ų87.532%0.31842%0.419SS..Hα-helixtrans-78.2-46.3176.7-67.3164000110.4H805 L810 K836 L837 W838 E842 R843 Q844H805-I840 WeakPolarHBondContact NE2-CD1 3.43Å; L810-I840 HydrophobicContact CD1-CG2 3.84Å; K836-I840 WeakPolarHBondContact O-CG1 3.18Å; K836-I840 PolarHBondContact O-N 3.34Å; L837-I840 PolarHBondContact O-N 2.91Å; W838-I840 VanDerWaalsContact C-N 3.25Å; W838-I840 PolarHBondContact O-N 2.91Å; I840-E842 VanDerWaalsContact C-N 3.27Å; I840-E842 PolarHBondContact O-N 2.99Å; I840-R843 PolarHBondContact O-N 2.89Å; I840-R843 VanDerWaalsContact O-N 3.17Å; I840-Q844 WeakPolarHBondContact O-CG 3.49Å; I840-Q844 PolarHBondContact O-N 3.37Å
841M89.2Confident80.8Confident10 Ų1094.4 Ų94.45%0.04945%0.445CS..Hα-helixtrans-58.7-39.2175.9-69175.971.600112L810 E814 L837 W838 Q844 G845 L846L810-M841 HydrophobicContact CB-CG 3.71Å; L810-M841 HydrophobicContact CB-SD 4.01Å; L810-M841 HydrophobicContact CD1-CG 3.68Å; L810-M841 HydrophobicContact CG-CG 4.34Å; E814-M841 HydrophobicContact CB-SD 4.48Å; L837-M841 HydrophobicContact CD1-SD 4.4Å; L837-M841 HydrophobicContact CD2-SD 4.26Å; L837-M841 HydrophobicContact CG-CG 4.42Å; L837-M841 HydrophobicContact CG-SD 3.88Å; L837-M841 WeakPolarHBondContact O-CG 3.39Å; L837-M841 PolarHBondContact O-N 2.97Å; W838-M841 PolarHBondContact O-N 2.83Å; M841-Q844 CarbonylContact O-C 3.6Å; M841-Q844 PolarHBondContact O-N 3.01Å; M841-G845 PolarHBondContact O-N 2.93Å; M841-G845 VanDerWaalsContact O-N 3.08Å; M841-L846 HydrophobicContact CB-CB 4.21Å; M841-L846 HydrophobicContact CE-CB 4.43Å; M841-L846 PolarHBondContact O-N 2.91Å
842E86.4Confident78.2Confident77 Ų77100 Ų10036%0.3647%0.471SS..Hα-helixtrans-65.1-40.4176.5179.4140.9-163.800112.3W838 I840 Q844 G845 K847 R851W838-E842 WeakPolarHBondContact O-CB 3.32Å; W838-E842 PolarHBondContact O-N 3.2Å; I840-E842 VanDerWaalsContact C-N 3.27Å; I840-E842 PolarHBondContact O-N 2.99Å; E842-Q844 VanDerWaalsContact C-N 3.29Å; E842-Q844 PolarHBondContact O-N 3.11Å; E842-G845 PolarHBondContact O-N 3.26Å; E842-K847 WeakPolarHBondContact OE1-CE 3.25Å; E842-K847 IonicContact OE1-NZ 2.79Å; E842-K847 PolarHBondContact OE1-NZ 3.1Å; E842-R851 IonicContact OE2-CZ 2.91Å; E842-R851 IonicContact OE2-NH1 2.65Å; E842-R851 PolarHBondContact OE2-NH1 3.21Å; E842-R851 IonicContact OE2-NH2 2.62Å; E842-R851 PolarHBondContact OE2-NH2 2.85Å
843R85.5Confident75.4Confident224 Ų224106.8 Ų106.885%0.84550%0.498SS*.Hα-helixtrans-67.3-27.6172.6-72.5172.2-178.4-168.80.2113.4N839 I840N839-R843 VanDerWaalsContact O-CG 3.3Å; N839-R843 WeakPolarHBondContact O-CG 3.48Å; N839-R843 PolarHBondContact O-N 3.05Å; I840-R843 PolarHBondContact O-N 2.89Å; I840-R843 VanDerWaalsContact O-N 3.17Å
844Q85.4Confident73.1Confident120 Ų120114.5 Ų114.556%0.56155%0.55SS*.THydrogen-bonded Turntrans-91.51.9178.3-67.3-178.41.900113.5L810 I840 M841 E842 L846L810-Q844 VanDerWaalsContact CD1-OE1 3.26Å; I840-Q844 WeakPolarHBondContact O-CG 3.49Å; I840-Q844 PolarHBondContact O-N 3.37Å; M841-Q844 CarbonylContact O-C 3.6Å; M841-Q844 PolarHBondContact O-N 3.01Å; E842-Q844 VanDerWaalsContact C-N 3.29Å; E842-Q844 PolarHBondContact O-N 3.11Å; Q844-L846 VanDerWaalsContact C-N 3.25Å; Q844-L846 HydrophobicContact CB-CD1 3.97Å; Q844-L846 HydrophobicContact CB-CG 4.13Å; Q844-L846 PolarHBondContact O-N 3.44Å
845G81.1Confident72Confident62 Ų62120.1 Ų120.164%0.63958%0.576SS**THydrogen-bonded Turntrans73.88.9179.400000115.2M841 E842 K847M841-G845 PolarHBondContact O-N 2.93Å; M841-G845 VanDerWaalsContact O-N 3.08Å; E842-G845 PolarHBondContact O-N 3.26Å; G845-K847 PolarHBondContact O-N 2.99Å
846L76.5Confident71Confident79 Ų79118.8 Ų118.841%0.41458%0.578SS.*  trans-79.337.8-175.2-65.1168.5000113.1L810 M841 Q844 T848L810-L846 HydrophobicContact CD1-CD1 4.05Å; M841-L846 HydrophobicContact CB-CB 4.21Å; M841-L846 HydrophobicContact CE-CB 4.43Å; M841-L846 PolarHBondContact O-N 2.91Å; Q844-L846 VanDerWaalsContact C-N 3.25Å; Q844-L846 HydrophobicContact CB-CD1 3.97Å; Q844-L846 HydrophobicContact CB-CG 4.13Å; Q844-L846 PolarHBondContact O-N 3.44Å; L846-T848 PolarHBondContact O-N 2.87Å
847K65.3Low69.7Low127 Ų127119.2 Ų119.255%0.55258%0.583SS**  trans-72.8109-175.1-82.5-173.5173.3178.60112.6E842 G845E842-K847 WeakPolarHBondContact OE1-CE 3.25Å; E842-K847 IonicContact OE1-NZ 2.79Å; E842-K847 PolarHBondContact OE1-NZ 3.1Å; G845-K847 PolarHBondContact O-N 2.99Å
848T54Low68.3Low90 Ų90126.2 Ų126.255%0.55262%0.617SS**  trans-71.5141.8156.937.80000110.3L846 Q850L846-T848 PolarHBondContact O-N 2.87Å; T848-Q850 PolarHBondContact O-N 3.37Å
849K46.6Very low66.9Low213 Ų213129.3 Ų129.393%0.92664%0.638SS**SBendtrans-92.217.7-159.8-140.8-179.1-173.3-177.60115.2
850Q48.1Very low65.4Low185 Ų185131.3 Ų131.386%0.86465%0.645SS**  trans-132.6104.5179-76.5176.7-4300109.4T848T848-Q850 PolarHBondContact O-N 3.37Å
851R52.5Low63.6Low145 Ų145136.3 Ų136.355%0.54767%0.669SS.*  trans-118.499.8163.7-73.4-176.6178.31671.1106.3E842E842-R851 IonicContact OE2-CZ 2.91Å; E842-R851 IonicContact OE2-NH1 2.65Å; E842-R851 PolarHBondContact OE2-NH1 3.21Å; E842-R851 IonicContact OE2-NH2 2.62Å; E842-R851 PolarHBondContact OE2-NH2 2.85Å
852E40.3Very low61.6Low193 Ų193146 Ų14690%0.90272%0.716SS**  trans-92133154.3-71.5-178.1163.600106.2
853E35.7Very low59.6Low186 Ų186151.8 Ų151.887%0.86975%0.746SS**  trans-70.9148.9175-66.6-176.2140.800109.7
854P43.9Very low57.2Low197 Ų197145.2 Ų145.2100%1.27974%0.737SS**  trans-70.70179.631.4-36.6000113.5

Retrieved 854 of 854 residues in 874 ms (Link to these results)

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