A0A5K4F2F5_SCHMA Loading...

Non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A5K4F2F5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,166 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
1M49.6Very low76Confident182 Ų18265.9 Ų65.990%0.89733%0.326SS*.  0149.10-81.9179.5162.600107.8N40M1-N40 HydrophobicContact CE-CB 4.2Å; M1-N40 HydrophobicContact CG-CB 4.35Å; M1-N40 HydrophobicContact SD-CB 3.9Å; M1-N40 PolarHBondContact SD-ND2 3.02Å; M1-N40 VanDerWaalsContact SD-ND2 3.42Å
2Y60.3Low76.6Confident65 Ų6570.3 Ų70.326%0.25534%0.344SS..BIsolated β-bridgetrans-93133.4171.7-62-54.4000110.8Y6 D34 Y38 Y39Y2-Y6 AromaticContact CD1-CD1 3.42Å; Y2-Y6 HydrophobicContact CD1-CD1 3.42Å; Y2-Y6 VanDerWaalsContact CD1-CD1 3.42Å; Y2-Y6 AromaticContact CD1-CE1 3.24Å; Y2-Y6 HydrophobicContact CD1-CE1 3.24Å; Y2-Y6 HydrophobicContact CD1-CG 4.2Å; Y2-Y6 AromaticContact CD1-CZ 3.89Å; Y2-Y6 HydrophobicContact CE1-CD1 4.07Å; Y2-Y6 AromaticContact CE1-CE1 3.39Å; Y2-Y6 HydrophobicContact CE1-CE1 3.39Å; Y2-Y6 AromaticContact CE1-CZ 3.68Å; Y2-Y6 AromaticContact CG-CD1 3.9Å; Y2-Y6 HydrophobicContact CG-CD1 3.9Å; Y2-Y6 AromaticContact CG-CE1 3.91Å; Y2-Y6 HydrophobicContact CG-CE1 3.91Å; Y2-D34 HydrophobicContact CE2-CB 4.03Å; Y2-Y38 HydrophobicContact CE2-CD2 4.38Å; Y2-Y38 HydrophobicContact CE2-CG 4.34Å; Y2-Y39 WeakPolarHBondContact O-CE2 3.45Å
3D71.3Confident77.2Confident98 Ų9870.4 Ų70.452%0.52435%0.352SS..  trans-94.3167.2174.3-76.5-51.5000112.5D5 Y6 L7D3-D5 VanDerWaalsContact C-N 3.31Å; D3-D5 PolarHBondContact O-N 3.33Å; D3-Y6 PolarHBondContact O-N 3.44Å; D3-L7 PolarHBondContact O-N 3.01Å; D3-L7 VanDerWaalsContact O-N 3.1Å
4N76.5Confident77.8Confident21 Ų2165.9 Ų65.911%0.11233%0.329CS..Hα-helixtrans-56.2-44.3-176-64.3-77.7000112.4Y6 L7 I8 Y39 S43 T45 T48N4-Y6 VanDerWaalsContact C-N 3.35Å; N4-Y6 PolarHBondContact O-N 3.46Å; N4-L7 PolarHBondContact O-N 3.31Å; N4-I8 WeakPolarHBondContact O-CB 3.13Å; N4-I8 VanDerWaalsContact O-CG1 3.27Å; N4-I8 WeakPolarHBondContact O-CG1 3.41Å; N4-I8 PolarHBondContact O-N 2.92Å; N4-Y39 WeakPolarHBondContact CA-OH 3.37Å; N4-Y39 VanDerWaalsContact CG-OH 3.23Å; N4-Y39 PolarHBondContact N-OH 3.33Å; N4-Y39 PolarHBondContact OD1-OH 2.86Å; N4-S43 PolarHBondContact ND2-O 2.91Å; N4-S43 PolarHBondContact OD1-O 3.01Å; N4-S43 VanDerWaalsContact OD1-O 3.1Å; N4-T45 PolarHBondContact OD1-N 3.47Å; N4-T48 PolarHBondContact OD1-OG1 2.93Å
5D77Confident77.9Confident124 Ų12466.1 Ų66.166%0.66333%0.326SS*.Hα-helixtrans-71.5-32.9-174.8-54.7-44.2000111.6D3 I8 S9D3-D5 VanDerWaalsContact C-N 3.31Å; D3-D5 PolarHBondContact O-N 3.33Å; D5-I8 PolarHBondContact O-N 3.19Å; D5-S9 WeakPolarHBondContact O-CB 3.39Å; D5-S9 PolarHBondContact O-N 3.31Å
6Y81.7Confident77.7Confident105 Ų10566.8 Ų66.841%0.41234%0.339SS..Hα-helixtrans-63.8-45.9170.2177.1-88.8000111.3Y2 D3 N4 S9 R10Y2-Y6 AromaticContact CD1-CD1 3.42Å; Y2-Y6 HydrophobicContact CD1-CD1 3.42Å; Y2-Y6 VanDerWaalsContact CD1-CD1 3.42Å; Y2-Y6 AromaticContact CD1-CE1 3.24Å; Y2-Y6 HydrophobicContact CD1-CE1 3.24Å; Y2-Y6 HydrophobicContact CD1-CG 4.2Å; Y2-Y6 AromaticContact CD1-CZ 3.89Å; Y2-Y6 HydrophobicContact CE1-CD1 4.07Å; Y2-Y6 AromaticContact CE1-CE1 3.39Å; Y2-Y6 HydrophobicContact CE1-CE1 3.39Å; Y2-Y6 AromaticContact CE1-CZ 3.68Å; Y2-Y6 AromaticContact CG-CD1 3.9Å; Y2-Y6 HydrophobicContact CG-CD1 3.9Å; Y2-Y6 AromaticContact CG-CE1 3.91Å; Y2-Y6 HydrophobicContact CG-CE1 3.91Å; D3-Y6 PolarHBondContact O-N 3.44Å; N4-Y6 VanDerWaalsContact C-N 3.35Å; N4-Y6 PolarHBondContact O-N 3.46Å; Y6-S9 PolarHBondContact O-N 3.28Å; Y6-R10 VanDerWaalsContact O-CB 3.26Å; Y6-R10 WeakPolarHBondContact O-CB 3.43Å; Y6-R10 PolarHBondContact O-N 3.09Å; Y6-R10 PolarHBondContact OH-NH1 3.11Å
7L82.5Confident77.1Confident5 Ų567.1 Ų67.13%0.02634%0.342CS..Hα-helixtrans-64.6-41.8177.4179.9156.3000111.7D3 N4 R10 I11 I35 Y39 T48D3-L7 PolarHBondContact O-N 3.01Å; D3-L7 VanDerWaalsContact O-N 3.1Å; N4-L7 PolarHBondContact O-N 3.31Å; L7-R10 PolarHBondContact O-N 2.77Å; L7-I11 HydrophobicContact CD2-CD1 3.57Å; L7-I11 HydrophobicContact CD2-CG1 4.33Å; L7-I11 HydrophobicContact CG-CD1 4.49Å; L7-I11 WeakPolarHBondContact O-CG1 3.35Å; L7-I11 PolarHBondContact O-N 2.88Å; L7-I35 HydrophobicContact CD1-CD1 3.92Å; L7-I35 HydrophobicContact CD1-CG1 3.7Å; L7-Y39 HydrophobicContact CB-CD2 4.29Å; L7-Y39 HydrophobicContact CB-CE2 3.72Å; L7-Y39 HydrophobicContact CD1-CD2 3.49Å; L7-Y39 VanDerWaalsContact CD1-CD2 3.49Å; L7-Y39 HydrophobicContact CD1-CE2 3.44Å; L7-Y39 VanDerWaalsContact CD1-CE2 3.44Å; L7-Y39 HydrophobicContact CD1-CG 4.15Å; L7-Y39 HydrophobicContact CG-CE2 4.23Å; L7-T48 HydrophobicContact CD2-CG2 3.84Å
8I82.6Confident76.8Confident15 Ų1573.1 Ų73.18%0.07736%0.359CS..Hα-helixtrans-64.4-46.8177.2-70.1165.6000110.3N4 D5 R10 I11 Q12 V51N4-I8 WeakPolarHBondContact O-CB 3.13Å; N4-I8 VanDerWaalsContact O-CG1 3.27Å; N4-I8 WeakPolarHBondContact O-CG1 3.41Å; N4-I8 PolarHBondContact O-N 2.92Å; D5-I8 PolarHBondContact O-N 3.19Å; I8-R10 VanDerWaalsContact C-N 3.29Å; I8-R10 PolarHBondContact O-N 3.47Å; I8-I11 PolarHBondContact O-N 3.38Å; I8-Q12 VanDerWaalsContact O-CG 3.31Å; I8-Q12 WeakPolarHBondContact O-CG 3.5Å; I8-Q12 PolarHBondContact O-N 2.84Å; I8-V51 HydrophobicContact CG1-CG2 4.4Å
9S83.3Confident76.3Confident62 Ų6275.3 Ų75.343%0.43438%0.383SS..Hα-helixtrans-58.7-39.3174.2-177.10000111.9D5 Y6 Q12 T13D5-S9 WeakPolarHBondContact O-CB 3.39Å; D5-S9 PolarHBondContact O-N 3.31Å; Y6-S9 PolarHBondContact O-N 3.28Å; S9-Q12 PolarHBondContact O-N 2.64Å; S9-T13 PolarHBondContact O-N 3.49Å; S9-T13 PolarHBondContact O-OG1 3.45Å
10R85.1Confident76.5Confident47 Ų4774.5 Ų74.518%0.17738%0.379CS..Hα-helixtrans-74.7-30.6-179.8-162.5159.7172.2-154.4-18.6112.9Y6 L7 I8 T13 I14 L31 D34Y6-R10 VanDerWaalsContact O-CB 3.26Å; Y6-R10 WeakPolarHBondContact O-CB 3.43Å; Y6-R10 PolarHBondContact O-N 3.09Å; Y6-R10 PolarHBondContact OH-NH1 3.11Å; L7-R10 PolarHBondContact O-N 2.77Å; I8-R10 VanDerWaalsContact C-N 3.29Å; I8-R10 PolarHBondContact O-N 3.47Å; R10-T13 WeakPolarHBondContact CA-OG1 3.02Å; R10-T13 PolarHBondContact O-OG1 3.43Å; R10-I14 WeakPolarHBondContact O-CD1 3.39Å; R10-I14 VanDerWaalsContact O-CG1 3.23Å; R10-I14 WeakPolarHBondContact O-CG1 3.4Å; R10-I14 PolarHBondContact O-N 3.32Å; R10-I14 VanDerWaalsContact O-N 3.17Å; R10-L31 HydrophobicContact CB-CD1 4.41Å; R10-L31 HydrophobicContact CG-CD1 4.2Å; R10-D34 IonicContact CZ-OD2 3.28Å; R10-D34 IonicContact NH1-OD2 3.99Å; R10-D34 PolarHBondContact NH1-OD2 3.14Å; R10-D34 IonicContact NH2-OD2 3.96Å; R10-D34 PolarHBondContact NH2-OD2 3.37Å
11I85.8Confident76.3Confident1 Ų174.9 Ų74.91%0.00539%0.385CS..Hα-helixtrans-66.2-41.5166.2-72.3174.9000110.6L7 I8 I14 Y15 L31 V51 L52 F55L7-I11 HydrophobicContact CD2-CD1 3.57Å; L7-I11 HydrophobicContact CD2-CG1 4.33Å; L7-I11 HydrophobicContact CG-CD1 4.49Å; L7-I11 WeakPolarHBondContact O-CG1 3.35Å; L7-I11 PolarHBondContact O-N 2.88Å; I8-I11 PolarHBondContact O-N 3.38Å; I11-I14 PolarHBondContact O-N 2.9Å; I11-Y15 HydrophobicContact CG2-CD2 3.66Å; I11-Y15 HydrophobicContact CG2-CE2 3.65Å; I11-Y15 WeakPolarHBondContact O-CD2 3.37Å; I11-Y15 PolarHBondContact O-N 2.86Å; I11-L31 HydrophobicContact CD1-CD2 4.32Å; I11-L31 HydrophobicContact CG1-CD2 3.42Å; I11-L31 VanDerWaalsContact CG1-CD2 3.42Å; I11-V51 HydrophobicContact CB-CG1 4.18Å; I11-V51 HydrophobicContact CD1-CG1 3.87Å; I11-V51 HydrophobicContact CG2-CG1 3.77Å; I11-L52 HydrophobicContact CD1-CD1 4.28Å; I11-F55 HydrophobicContact CD1-CB 4.4Å; I11-F55 HydrophobicContact CD1-CD1 4.49Å; I11-F55 HydrophobicContact CD1-CG 4.48Å; I11-F55 HydrophobicContact CG1-CG 4.49Å; I11-F55 HydrophobicContact CG2-CB 4.3Å; I11-F55 HydrophobicContact CG2-CD2 4Å; I11-F55 HydrophobicContact CG2-CG 4.22Å
12Q84.2Confident77.7Confident118 Ų11873.3 Ų73.355%0.55138%0.376SS*.Hα-helixtrans-64.8-41.8179.1-72.7170.4-5.100112.7I8 S9 Y15 S16I8-Q12 VanDerWaalsContact O-CG 3.31Å; I8-Q12 WeakPolarHBondContact O-CG 3.5Å; I8-Q12 PolarHBondContact O-N 2.84Å; S9-Q12 PolarHBondContact O-N 2.64Å; Q12-Y15 WeakPolarHBondContact O-CB 3.44Å; Q12-Y15 PolarHBondContact O-N 3.28Å; Q12-S16 PolarHBondContact O-N 3.47Å
13T84.3Confident78.6Confident72 Ų7274.8 Ų74.844%0.44239%0.385SS..Hα-helixtrans-72.3-27.6176.352.10000113.5S9 R10 S16 N17S9-T13 PolarHBondContact O-N 3.49Å; S9-T13 PolarHBondContact O-OG1 3.45Å; R10-T13 WeakPolarHBondContact CA-OG1 3.02Å; R10-T13 PolarHBondContact O-OG1 3.43Å; T13-S16 WeakPolarHBondContact CA-OG 3.45Å; T13-S16 PolarHBondContact O-OG 3.01Å; T13-N17 PolarHBondContact O-N 2.8Å
14I85.2Confident79.2Confident7 Ų770.1 Ų70.14%0.03636%0.36CS..Hα-helixtrans-68.5-40.5168-69.7168.1000110.3R10 I11 S16 N17 F24 S27 L31 F55R10-I14 WeakPolarHBondContact O-CD1 3.39Å; R10-I14 VanDerWaalsContact O-CG1 3.23Å; R10-I14 WeakPolarHBondContact O-CG1 3.4Å; R10-I14 PolarHBondContact O-N 3.32Å; R10-I14 VanDerWaalsContact O-N 3.17Å; I11-I14 PolarHBondContact O-N 2.9Å; I14-S16 PolarHBondContact O-N 3.26Å; I14-N17 PolarHBondContact O-N 2.89Å; I14-F24 HydrophobicContact CG2-CD2 3.7Å; I14-F24 HydrophobicContact CG2-CE2 3.59Å; I14-F24 HydrophobicContact CG2-CG 4.43Å; I14-F24 HydrophobicContact CG2-CZ 4.21Å; I14-F24 WeakPolarHBondContact O-CD2 3.44Å; I14-S27 WeakPolarHBondContact CD1-O 3.25Å; I14-L31 HydrophobicContact CD1-CB 3.74Å; I14-L31 HydrophobicContact CD1-CD2 3.72Å; I14-L31 HydrophobicContact CD1-CG 4.3Å; I14-F55 HydrophobicContact CG2-CE2 3.96Å; I14-F55 HydrophobicContact CG2-CZ 4.04Å
15Y80Confident79.3Confident70 Ų7071.1 Ų71.128%0.27537%0.365SS..Hα-helixtrans-65.2-31174.8-89.8-58.5000114.2I11 Q12 N17 R18 F55 Y58I11-Y15 HydrophobicContact CG2-CD2 3.66Å; I11-Y15 HydrophobicContact CG2-CE2 3.65Å; I11-Y15 WeakPolarHBondContact O-CD2 3.37Å; I11-Y15 PolarHBondContact O-N 2.86Å; Q12-Y15 WeakPolarHBondContact O-CB 3.44Å; Q12-Y15 PolarHBondContact O-N 3.28Å; Y15-N17 VanDerWaalsContact C-N 3.32Å; Y15-R18 WeakPolarHBondContact O-CB 3.49Å; Y15-R18 WeakPolarHBondContact O-CD 3.37Å; Y15-R18 VanDerWaalsContact O-CG 3.29Å; Y15-R18 WeakPolarHBondContact O-CG 3.33Å; Y15-F55 HydrophobicContact CD2-CD2 4.42Å; Y15-F55 AromaticContact CE2-CD2 3.78Å; Y15-F55 HydrophobicContact CE2-CD2 3.78Å; Y15-F55 AromaticContact CZ-CD2 3.88Å; Y15-Y58 AromaticContact CE1-CD1 3.85Å; Y15-Y58 HydrophobicContact CE1-CD1 3.85Å; Y15-Y58 HydrophobicContact CE1-CE1 4.16Å; Y15-Y58 HydrophobicContact CE1-CG 4.06Å; Y15-Y58 WeakPolarHBondContact OH-CB 3.39Å
16S74Confident79.6Confident76 Ų7671.2 Ų71.253%0.53136%0.361SS..Hα-helixtrans-67.4-34.7173.156.20000112.1Q12 T13 I14 R18Q12-S16 PolarHBondContact O-N 3.47Å; T13-S16 WeakPolarHBondContact CA-OG 3.45Å; T13-S16 PolarHBondContact O-OG 3.01Å; I14-S16 PolarHBondContact O-N 3.26Å; S16-R18 PolarHBondContact O-N 2.96Å
17N68.2Low79.7Confident73 Ų7367.9 Ų67.939%0.3935%0.354SS..THydrogen-bonded Turntrans-83.69.5-177.5-64.84.5000113.9T13 I14 Y15 S19 N20T13-N17 PolarHBondContact O-N 2.8Å; I14-N17 PolarHBondContact O-N 2.89Å; Y15-N17 VanDerWaalsContact C-N 3.32Å; N17-S19 PolarHBondContact O-N 3.19Å; N17-N20 PolarHBondContact O-N 2.92Å; N17-N20 VanDerWaalsContact O-N 3.09Å
18R71Confident79.8Confident174 Ų17467.7 Ų67.766%0.65735%0.353SS*.THydrogen-bonded Turntrans-52-18.1-179.666.9-179-176.3170.12.2116.3Y15 S16 F24Y15-R18 WeakPolarHBondContact O-CB 3.49Å; Y15-R18 WeakPolarHBondContact O-CD 3.37Å; Y15-R18 VanDerWaalsContact O-CG 3.29Å; Y15-R18 WeakPolarHBondContact O-CG 3.33Å; S16-R18 PolarHBondContact O-N 2.96Å; R18-F24 HydrophobicContact CB-CD2 4.38Å
19S68.3Low79.9Confident115 Ų11571 Ų7180%0.80437%0.365SS*.THydrogen-bonded Turntrans-74.4-29.5178.645.90000113.1N17N17-S19 PolarHBondContact O-N 3.19Å
20N78.6Confident80Confident60 Ų6071.5 Ų71.532%0.32136%0.362SS..SBendtrans-99.2101.9173.8-175.9-30.5000109N17 Q22 Q23 F24N17-N20 PolarHBondContact O-N 2.92Å; N17-N20 VanDerWaalsContact O-N 3.09Å; N20-Q22 PolarHBondContact O-N 3.34Å; N20-Q22 PolarHBondContact OD1-N 2.88Å; N20-Q23 HydrophobicContact CB-CB 4.01Å; N20-Q23 HydrophobicContact CB-CG 4.32Å; N20-Q23 WeakPolarHBondContact ND2-CG 3.21Å; N20-Q23 PolarHBondContact ND2-OE1 3.3Å; N20-Q23 VanDerWaalsContact ND2-OE1 3.12Å; N20-Q23 PolarHBondContact O-N 3.27Å; N20-Q23 PolarHBondContact OD1-N 3.16Å; N20-F24 WeakPolarHBondContact O-CB 3.24Å; N20-F24 PolarHBondContact O-N 3.17Å
21T73.5Confident80Confident82 Ų8269.5 Ų69.550%0.50336%0.355SS..Hα-helixtrans-59.7-45.1-175.3500000112.3F24 I25T21-F24 PolarHBondContact O-N 3.44Å; T21-I25 WeakPolarHBondContact O-CB 3.5Å; T21-I25 WeakPolarHBondContact O-CD1 3.38Å; T21-I25 WeakPolarHBondContact O-CG1 3.25Å; T21-I25 PolarHBondContact O-N 3.08Å
22Q78.3Confident80Confident149 Ų14969.4 Ų69.470%0.69635%0.354SS*.Hα-helixtrans-62.7-45178.7-74.7-176.9-22.200112N20 I25 Q26N20-Q22 PolarHBondContact O-N 3.34Å; N20-Q22 PolarHBondContact OD1-N 2.88Å; Q22-I25 PolarHBondContact O-N 3.05Å; Q22-Q26 WeakPolarHBondContact O-CB 3.36Å; Q22-Q26 PolarHBondContact O-N 3.49Å
23Q78.7Confident80Confident96 Ų9665.3 Ų65.345%0.44934%0.336SS..Hα-helixtrans-65.7-38.1175.9-73178.3-20.600111.9N20 S27N20-Q23 HydrophobicContact CB-CB 4.01Å; N20-Q23 HydrophobicContact CB-CG 4.32Å; N20-Q23 WeakPolarHBondContact ND2-CG 3.21Å; N20-Q23 PolarHBondContact ND2-OE1 3.3Å; N20-Q23 VanDerWaalsContact ND2-OE1 3.12Å; N20-Q23 PolarHBondContact O-N 3.27Å; N20-Q23 PolarHBondContact OD1-N 3.16Å; Q23-S27 WeakPolarHBondContact O-CB 3.46Å; Q23-S27 PolarHBondContact O-N 3.32Å; Q23-S27 PolarHBondContact O-OG 2.69Å
24F84.5Confident79.9Confident1 Ų162.9 Ų62.90%0.00432%0.32CS..Hα-helixtrans-62.9-46174-178.8-82.7000111.6I14 R18 N20 T21 S28 F55 Y58 I59 Y63I14-F24 HydrophobicContact CG2-CD2 3.7Å; I14-F24 HydrophobicContact CG2-CE2 3.59Å; I14-F24 HydrophobicContact CG2-CG 4.43Å; I14-F24 HydrophobicContact CG2-CZ 4.21Å; I14-F24 WeakPolarHBondContact O-CD2 3.44Å; R18-F24 HydrophobicContact CB-CD2 4.38Å; N20-F24 WeakPolarHBondContact O-CB 3.24Å; N20-F24 PolarHBondContact O-N 3.17Å; T21-F24 PolarHBondContact O-N 3.44Å; F24-S28 WeakPolarHBondContact CE1-OG 3.37Å; F24-S28 WeakPolarHBondContact O-CB 3.31Å; F24-S28 PolarHBondContact O-N 2.94Å; F24-S28 PolarHBondContact O-OG 2.85Å; F24-F55 HydrophobicContact CE2-CE2 4.41Å; F24-F55 HydrophobicContact CZ-CE2 4Å; F24-Y58 HydrophobicContact CE1-CE1 4.27Å; F24-Y58 HydrophobicContact CE2-CE1 4.25Å; F24-Y58 HydrophobicContact CZ-CD1 4.03Å; F24-Y58 AromaticContact CZ-CE1 3.67Å; F24-Y58 HydrophobicContact CZ-CE1 3.67Å; F24-I59 HydrophobicContact CE1-CG1 4.48Å; F24-Y63 AromaticContact CD1-CE2 3.98Å; F24-Y63 HydrophobicContact CD1-CE2 3.98Å; F24-Y63 AromaticContact CD1-CZ 3.77Å; F24-Y63 WeakPolarHBondContact CD1-OH 3.45Å; F24-Y63 AromaticContact CE1-CE2 3.62Å; F24-Y63 HydrophobicContact CE1-CE2 3.62Å; F24-Y63 AromaticContact CE1-CZ 3.92Å
25I79.2Confident79.7Confident41 Ų4162.9 Ų62.921%0.2132%0.32CS..Hα-helixtrans-57.3-56.2177-74.6158.6000109.9T21 Q22 S27 S28 Y29 Y63 I66 I69T21-I25 WeakPolarHBondContact O-CB 3.5Å; T21-I25 WeakPolarHBondContact O-CD1 3.38Å; T21-I25 WeakPolarHBondContact O-CG1 3.25Å; T21-I25 PolarHBondContact O-N 3.08Å; Q22-I25 PolarHBondContact O-N 3.05Å; I25-S27 PolarHBondContact O-N 3.29Å; I25-S28 PolarHBondContact O-N 3.44Å; I25-Y29 WeakPolarHBondContact O-CB 3.4Å; I25-Y29 PolarHBondContact O-N 2.9Å; I25-Y63 HydrophobicContact CD1-CE1 4.3Å; I25-Y63 HydrophobicContact CG1-CE1 4.13Å; I25-I66 HydrophobicContact CD1-CD1 3.28Å; I25-I66 HydrophobicContact CG1-CD1 3.75Å; I25-I66 HydrophobicContact CG2-CD1 4.43Å; I25-I69 HydrophobicContact CB-CD1 3.94Å; I25-I69 HydrophobicContact CG1-CD1 4.12Å; I25-I69 HydrophobicContact CG2-CD1 3.62Å; I25-I69 WeakPolarHBondContact O-CD1 3.38Å
26Q83.3Confident79.5Confident126 Ų12660.6 Ų60.659%0.58931%0.313SS*.Hα-helixtrans-61.3-47.3-178.8-172.1178.47.500111.8Q22 S28 Y29 I30Q22-Q26 WeakPolarHBondContact O-CB 3.36Å; Q22-Q26 PolarHBondContact O-N 3.49Å; Q26-S28 VanDerWaalsContact C-N 3.35Å; Q26-S28 PolarHBondContact O-N 3.45Å; Q26-Y29 PolarHBondContact O-N 3.37Å; Q26-I30 HydrophobicContact CG-CD1 4.06Å; Q26-I30 VanDerWaalsContact O-CG1 3.29Å; Q26-I30 WeakPolarHBondContact O-CG1 3.11Å; Q26-I30 PolarHBondContact O-N 3.39Å
27S84.3Confident79.7Confident36 Ų3664.6 Ų64.625%0.25232%0.317SS..Hα-helixtrans-66.8-37.1-179-49.40000112.1I14 Q23 I25 L31I14-S27 WeakPolarHBondContact CD1-O 3.25Å; Q23-S27 WeakPolarHBondContact O-CB 3.46Å; Q23-S27 PolarHBondContact O-N 3.32Å; Q23-S27 PolarHBondContact O-OG 2.69Å; I25-S27 PolarHBondContact O-N 3.29Å; S27-L31 WeakPolarHBondContact O-CB 3.33Å; S27-L31 PolarHBondContact O-N 2.85Å
28S84.7Confident79.8Confident0 Ų068.2 Ų68.20%033%0.326CS..Hα-helixtrans-63.2-48.9172.9-61.40000110.9F24 I25 Q26 I30 L31 L32 F55F24-S28 WeakPolarHBondContact CE1-OG 3.37Å; F24-S28 WeakPolarHBondContact O-CB 3.31Å; F24-S28 PolarHBondContact O-N 2.94Å; F24-S28 PolarHBondContact O-OG 2.85Å; I25-S28 PolarHBondContact O-N 3.44Å; Q26-S28 VanDerWaalsContact C-N 3.35Å; Q26-S28 PolarHBondContact O-N 3.45Å; S28-I30 VanDerWaalsContact C-N 3.31Å; S28-I30 PolarHBondContact O-N 3.28Å; S28-L31 PolarHBondContact O-N 3.44Å; S28-L32 WeakPolarHBondContact O-CB 2.89Å; S28-L32 WeakPolarHBondContact O-CG 3.36Å; S28-L32 PolarHBondContact O-N 3.19Å; S28-F55 WeakPolarHBondContact OG-CZ 3.4Å
29Y84.7Confident79.9Confident84 Ų8460.7 Ų60.733%0.32930%0.298SS..Hα-helixtrans-59.4-41.2179.4-171.2-91.5000112.2I25 Q26 N33 I69 K72I25-Y29 WeakPolarHBondContact O-CB 3.4Å; I25-Y29 PolarHBondContact O-N 2.9Å; Q26-Y29 PolarHBondContact O-N 3.37Å; Y29-N33 WeakPolarHBondContact CD1-ND2 3.47Å; Y29-N33 WeakPolarHBondContact CE1-ND2 3.31Å; Y29-N33 PolarHBondContact O-N 3.45Å; Y29-N33 VanDerWaalsContact O-N 3.08Å; Y29-N33 PolarHBondContact O-ND2 2.87Å; Y29-I69 HydrophobicContact CD2-CG1 4.21Å; Y29-K72 HydrophobicContact CD2-CG 3.97Å; Y29-K72 HydrophobicContact CE2-CD 4.33Å; Y29-K72 HydrophobicContact CE2-CG 3.57Å
30I85Confident79.9Confident74 Ų7457.3 Ų57.338%0.37927%0.271SS..Hα-helixtrans-64-48.2174.1-64.7164.7000110.8Q26 S28 L32 N33 D34Q26-I30 HydrophobicContact CG-CD1 4.06Å; Q26-I30 VanDerWaalsContact O-CG1 3.29Å; Q26-I30 WeakPolarHBondContact O-CG1 3.11Å; Q26-I30 PolarHBondContact O-N 3.39Å; S28-I30 VanDerWaalsContact C-N 3.31Å; S28-I30 PolarHBondContact O-N 3.28Å; I30-L32 VanDerWaalsContact C-N 3.34Å; I30-L32 PolarHBondContact O-N 2.96Å; I30-N33 PolarHBondContact O-N 3.47Å; I30-D34 PolarHBondContact O-N 2.75Å
31L85.5Confident79.4Confident4 Ų455.5 Ų55.52%0.02126%0.261CS..Hα-helixtrans-59.8-42.9177.5174.967.3000112.1R10 I11 I14 S27 S28 N33 D34 I35 F55R10-L31 HydrophobicContact CB-CD1 4.41Å; R10-L31 HydrophobicContact CG-CD1 4.2Å; I11-L31 HydrophobicContact CD1-CD2 4.32Å; I11-L31 HydrophobicContact CG1-CD2 3.42Å; I11-L31 VanDerWaalsContact CG1-CD2 3.42Å; I14-L31 HydrophobicContact CD1-CB 3.74Å; I14-L31 HydrophobicContact CD1-CD2 3.72Å; I14-L31 HydrophobicContact CD1-CG 4.3Å; S27-L31 WeakPolarHBondContact O-CB 3.33Å; S27-L31 PolarHBondContact O-N 2.85Å; S28-L31 PolarHBondContact O-N 3.44Å; L31-N33 VanDerWaalsContact C-N 3.34Å; L31-N33 PolarHBondContact O-N 2.69Å; L31-D34 PolarHBondContact O-N 3.36Å; L31-I35 HydrophobicContact CD1-CD1 4.22Å; L31-I35 HydrophobicContact CD1-CG1 4.35Å; L31-I35 HydrophobicContact CG-CD1 3.99Å; L31-I35 VanDerWaalsContact O-CG1 3.3Å; L31-I35 WeakPolarHBondContact O-CG1 3.48Å; L31-I35 PolarHBondContact O-N 3.06Å; L31-F55 HydrophobicContact CD2-CE1 3.96Å; L31-F55 HydrophobicContact CD2-CZ 4.27Å
32L84Confident79Confident0 Ų059.2 Ų59.20%027%0.27CS..Hα-helixtrans-62.6-41.8179.3-68.4175.6000110.6S28 I30 I35 L36 F55 L56 I59 K72 I76S28-L32 WeakPolarHBondContact O-CB 2.89Å; S28-L32 WeakPolarHBondContact O-CG 3.36Å; S28-L32 PolarHBondContact O-N 3.19Å; I30-L32 VanDerWaalsContact C-N 3.34Å; I30-L32 PolarHBondContact O-N 2.96Å; L32-I35 PolarHBondContact O-N 3.32Å; L32-L36 PolarHBondContact O-N 2.57Å; L32-F55 HydrophobicContact CD2-CE1 4.19Å; L32-L56 HydrophobicContact CD2-CD2 4.19Å; L32-I59 HydrophobicContact CD1-CD1 4.44Å; L32-K72 HydrophobicContact CB-CB 4.4Å; L32-K72 HydrophobicContact CD1-CB 4.05Å; L32-I76 HydrophobicContact CB-CD1 3.43Å; L32-I76 VanDerWaalsContact CB-CD1 3.43Å; L32-I76 HydrophobicContact CD2-CD1 3.38Å; L32-I76 HydrophobicContact CG-CD1 3.89Å; L32-I76 VanDerWaalsContact O-CD1 3.32Å; L32-I76 WeakPolarHBondContact O-CD1 3.39Å
33N84.7Confident78.4Confident32 Ų3253.4 Ų53.417%0.17125%0.246CC..Hα-helixtrans-65.7-41.5171.4-73.8-38.8000112.8Y29 I30 L31 I35 L36 Y37 K72Y29-N33 WeakPolarHBondContact CD1-ND2 3.47Å; Y29-N33 WeakPolarHBondContact CE1-ND2 3.31Å; Y29-N33 PolarHBondContact O-N 3.45Å; Y29-N33 VanDerWaalsContact O-N 3.08Å; Y29-N33 PolarHBondContact O-ND2 2.87Å; I30-N33 PolarHBondContact O-N 3.47Å; L31-N33 VanDerWaalsContact C-N 3.34Å; L31-N33 PolarHBondContact O-N 2.69Å; N33-I35 PolarHBondContact O-N 2.71Å; N33-L36 PolarHBondContact O-N 3.49Å; N33-Y37 HydrophobicContact CB-CD2 4.27Å; N33-Y37 HydrophobicContact CB-CE2 4.39Å; N33-Y37 VanDerWaalsContact O-CD2 3.23Å; N33-Y37 WeakPolarHBondContact O-CD2 3.32Å; N33-Y37 PolarHBondContact O-N 3.42Å; N33-K72 WeakPolarHBondContact OD1-CD 3.41Å; N33-K72 VanDerWaalsContact OD1-CE 3.29Å; N33-K72 WeakPolarHBondContact OD1-CE 3.41Å; N33-K72 PolarHBondContact OD1-NZ 3.2Å
34D83.2Confident78.2Confident21 Ų2150 Ų5011%0.11223%0.231CC..Hα-helixtrans-61-32.1176.8-78.7-8.4000112.5Y2 R10 I30 L31 Y38 Y39Y2-D34 HydrophobicContact CE2-CB 4.03Å; R10-D34 IonicContact CZ-OD2 3.28Å; R10-D34 IonicContact NH1-OD2 3.99Å; R10-D34 PolarHBondContact NH1-OD2 3.14Å; R10-D34 IonicContact NH2-OD2 3.96Å; R10-D34 PolarHBondContact NH2-OD2 3.37Å; I30-D34 PolarHBondContact O-N 2.75Å; L31-D34 PolarHBondContact O-N 3.36Å; D34-Y38 HydrophobicContact CB-CD2 4.47Å; D34-Y38 PolarHBondContact O-N 3.29Å; D34-Y38 WeakPolarHBondContact OD1-CD2 3.18Å; D34-Y39 PolarHBondContact O-N 2.71Å; D34-Y39 VanDerWaalsContact O-N 3.16Å
35I80.2Confident78Confident7 Ų752.9 Ų52.94%0.03625%0.248CC..Hα-helixtrans-67-38.9172.6-71.7168.9000111.9L7 L31 L32 N33 L52 I76L7-I35 HydrophobicContact CD1-CD1 3.92Å; L7-I35 HydrophobicContact CD1-CG1 3.7Å; L31-I35 HydrophobicContact CD1-CD1 4.22Å; L31-I35 HydrophobicContact CD1-CG1 4.35Å; L31-I35 HydrophobicContact CG-CD1 3.99Å; L31-I35 VanDerWaalsContact O-CG1 3.3Å; L31-I35 WeakPolarHBondContact O-CG1 3.48Å; L31-I35 PolarHBondContact O-N 3.06Å; L32-I35 PolarHBondContact O-N 3.32Å; N33-I35 PolarHBondContact O-N 2.71Å; I35-L52 HydrophobicContact CD1-CD1 3.8Å; I35-L52 HydrophobicContact CD1-CD2 4.35Å; I35-I76 HydrophobicContact CG2-CG2 4.41Å
36L76.4Confident77.9Confident21 Ų2155.6 Ų55.611%0.1126%0.263CS..Hα-helixtrans-72.7-40.1179.8-71.6167.7000112.8L32 N33 K72 E75 I76 Y79L32-L36 PolarHBondContact O-N 2.57Å; N33-L36 PolarHBondContact O-N 3.49Å; L36-K72 HydrophobicContact CD1-CD 4.24Å; L36-E75 HydrophobicContact CD1-CB 4.49Å; L36-I76 HydrophobicContact CD1-CD1 4.41Å; L36-I76 HydrophobicContact CD1-CG1 4.05Å; L36-I76 HydrophobicContact CD2-CG1 3.67Å; L36-I76 HydrophobicContact CG-CD1 4.23Å; L36-I76 HydrophobicContact CG-CG1 3.67Å; L36-Y79 HydrophobicContact CD2-CD1 4.29Å; L36-Y79 HydrophobicContact CD2-CD2 3.81Å; L36-Y79 HydrophobicContact CD2-CE2 4.22Å; L36-Y79 HydrophobicContact CD2-CG 3.81Å; L36-Y79 PolarHBondContact O-OH 3.49Å
37Y77.4Confident77.8Confident161 Ų16153.9 Ų53.963%0.63126%0.258SS*.Hα-helixtrans-103.7-33.1-168.7-64.3-67.1000115.5N33N33-Y37 HydrophobicContact CB-CD2 4.27Å; N33-Y37 HydrophobicContact CB-CE2 4.39Å; N33-Y37 VanDerWaalsContact O-CD2 3.23Å; N33-Y37 WeakPolarHBondContact O-CD2 3.32Å; N33-Y37 PolarHBondContact O-N 3.42Å
38Y70.4Confident77.7Confident148 Ų14852.3 Ų52.358%0.5825%0.247SC*.THydrogen-bonded Turntrans-121.9-9-167.3-58.3-57.5000115Y2 D34Y2-Y38 HydrophobicContact CE2-CD2 4.38Å; Y2-Y38 HydrophobicContact CE2-CG 4.34Å; D34-Y38 HydrophobicContact CB-CD2 4.47Å; D34-Y38 PolarHBondContact O-N 3.29Å; D34-Y38 WeakPolarHBondContact OD1-CD2 3.18Å
39Y72.1Confident77.6Confident17 Ų1752.4 Ų52.47%0.06725%0.247CC..BIsolated β-bridgetrans-82.4133.2-178.7-163.9-86.8000112.5Y2 N4 L7 D34 I41 S43 I44Y2-Y39 WeakPolarHBondContact O-CE2 3.45Å; N4-Y39 WeakPolarHBondContact CA-OH 3.37Å; N4-Y39 VanDerWaalsContact CG-OH 3.23Å; N4-Y39 PolarHBondContact N-OH 3.33Å; N4-Y39 PolarHBondContact OD1-OH 2.86Å; L7-Y39 HydrophobicContact CB-CD2 4.29Å; L7-Y39 HydrophobicContact CB-CE2 3.72Å; L7-Y39 HydrophobicContact CD1-CD2 3.49Å; L7-Y39 VanDerWaalsContact CD1-CD2 3.49Å; L7-Y39 HydrophobicContact CD1-CE2 3.44Å; L7-Y39 VanDerWaalsContact CD1-CE2 3.44Å; L7-Y39 HydrophobicContact CD1-CG 4.15Å; L7-Y39 HydrophobicContact CG-CE2 4.23Å; D34-Y39 PolarHBondContact O-N 2.71Å; D34-Y39 VanDerWaalsContact O-N 3.16Å; Y39-I41 PolarHBondContact O-N 3.13Å; Y39-S43 WeakPolarHBondContact CE1-OG 2.99Å; Y39-S43 PolarHBondContact OH-OG 3.38Å; Y39-S43 VanDerWaalsContact OH-OG 3.1Å; Y39-I44 HydrophobicContact CD1-CD1 4.49Å; Y39-I44 HydrophobicContact CD1-CG1 4.14Å; Y39-I44 HydrophobicContact CE1-CD1 4.41Å; Y39-I44 HydrophobicContact CE1-CG1 3.6Å
40N69.7Low77.3Confident44 Ų4451.3 Ų51.324%0.23525%0.245CC..  trans-79.493.9178.2-176.75.8000110.7M1 K42 S43M1-N40 HydrophobicContact CE-CB 4.2Å; M1-N40 HydrophobicContact CG-CB 4.35Å; M1-N40 HydrophobicContact SD-CB 3.9Å; M1-N40 PolarHBondContact SD-ND2 3.02Å; M1-N40 VanDerWaalsContact SD-ND2 3.42Å; N40-K42 PolarHBondContact O-N 2.84Å; N40-K42 WeakPolarHBondContact OD1-CB 3.21Å; N40-K42 PolarHBondContact OD1-N 3.35Å; N40-S43 PolarHBondContact O-N 2.95Å; N40-S43 PolarHBondContact O-OG 2.98Å
41I67.5Low77.3Confident22 Ų2249.1 Ų49.111%0.11324%0.235CC..G310 helixtrans-46.6-33-180-51170.8000113Y39 S43 I44 Y79 N83 L85 I86Y39-I41 PolarHBondContact O-N 3.13Å; I41-S43 PolarHBondContact O-N 2.7Å; I41-I44 HydrophobicContact CB-CD1 4.46Å; I41-I44 HydrophobicContact CG2-CD1 4.02Å; I41-I44 WeakPolarHBondContact O-CG1 3.48Å; I41-I44 PolarHBondContact O-N 2.83Å; I41-Y79 HydrophobicContact CD1-CE1 3.89Å; I41-Y79 WeakPolarHBondContact CD1-OH 3.4Å; I41-Y79 HydrophobicContact CG1-CE1 4.09Å; I41-N83 WeakPolarHBondContact CD1-ND2 3.41Å; I41-L85 HydrophobicContact CB-CD1 4.23Å; I41-L85 HydrophobicContact CG2-CB 3.93Å; I41-L85 HydrophobicContact CG2-CD1 4.3Å; I41-I86 HydrophobicContact CG2-CD1 3.94Å; I41-I86 HydrophobicContact CG2-CG1 3.65Å
42K66Low77.3Confident159 Ų15949.3 Ų49.369%0.69124%0.236SC*.G310 helixtrans-65.2-19.9-179.9-61.3-179.9178.9175.80113.9N40 L85N40-K42 PolarHBondContact O-N 2.84Å; N40-K42 WeakPolarHBondContact OD1-CB 3.21Å; N40-K42 PolarHBondContact OD1-N 3.35Å; K42-L85 HydrophobicContact CG-CD1 4.13Å; K42-L85 HydrophobicContact CG-CD2 4.49Å
43S65.3Low77.2Confident27 Ų2749.3 Ų49.319%0.18924%0.236CC..G310 helixtrans-89.1-11.9-179.875.20000114.1N4 Y39 N40 I41 T45N4-S43 PolarHBondContact ND2-O 2.91Å; N4-S43 PolarHBondContact OD1-O 3.01Å; N4-S43 VanDerWaalsContact OD1-O 3.1Å; Y39-S43 WeakPolarHBondContact CE1-OG 2.99Å; Y39-S43 PolarHBondContact OH-OG 3.38Å; Y39-S43 VanDerWaalsContact OH-OG 3.1Å; N40-S43 PolarHBondContact O-N 2.95Å; N40-S43 PolarHBondContact O-OG 2.98Å; I41-S43 PolarHBondContact O-N 2.7Å; S43-T45 PolarHBondContact O-N 3.26Å; S43-T45 VanDerWaalsContact O-N 3.09Å
44I74.6Confident77.1Confident26 Ų2652.8 Ų52.813%0.13325%0.25CC..  trans-56.5113.6-169.9-65.3176.2000111.9Y39 I41 I49 L80 I86Y39-I44 HydrophobicContact CD1-CD1 4.49Å; Y39-I44 HydrophobicContact CD1-CG1 4.14Å; Y39-I44 HydrophobicContact CE1-CD1 4.41Å; Y39-I44 HydrophobicContact CE1-CG1 3.6Å; I41-I44 HydrophobicContact CB-CD1 4.46Å; I41-I44 HydrophobicContact CG2-CD1 4.02Å; I41-I44 WeakPolarHBondContact O-CG1 3.48Å; I41-I44 PolarHBondContact O-N 2.83Å; I44-I49 HydrophobicContact CG2-CD1 3.79Å; I44-I49 HydrophobicContact CG2-CG1 3.45Å; I44-I49 VanDerWaalsContact CG2-CG1 3.45Å; I44-L80 HydrophobicContact CD1-CD2 4.02Å; I44-I86 HydrophobicContact CD1-CD1 4.04Å; I44-I86 HydrophobicContact CD1-CG1 4.27Å
45T79.2Confident77.1Confident60 Ų6051.8 Ų51.837%0.36824%0.244SC..  trans-89.4169.2176.178.20000113.1N4 S43 N47 T48 I49N4-T45 PolarHBondContact OD1-N 3.47Å; S43-T45 PolarHBondContact O-N 3.26Å; S43-T45 VanDerWaalsContact O-N 3.09Å; T45-N47 VanDerWaalsContact C-N 3.26Å; T45-N47 PolarHBondContact O-N 2.97Å; T45-N47 PolarHBondContact OG1-N 3.12Å; T45-T48 PolarHBondContact N-OG1 2.81Å; T45-T48 WeakPolarHBondContact O-CB 3.29Å; T45-T48 PolarHBondContact O-N 3.14Å; T45-T48 PolarHBondContact OG1-N 3.48Å; T45-T48 VanDerWaalsContact OG1-N 3.16Å; T45-T48 PolarHBondContact OG1-OG1 3.45Å; T45-I49 PolarHBondContact O-N 3.16Å
46L78.1Confident77.3Confident98 Ų9851.5 Ų51.551%0.51324%0.243SC..Hα-helixtrans-57.6-38.3170.7-170.174.7000112.2H50 L90 L93L46-H50 WeakPolarHBondContact O-CB 3.5Å; L46-H50 PolarHBondContact O-N 3.27Å; L46-L90 HydrophobicContact CB-CD2 4.12Å; L46-L90 HydrophobicContact CD1-CD2 3.78Å; L46-L93 HydrophobicContact CD1-CD2 3.58Å; L46-L93 HydrophobicContact CG-CD2 4.15Å
47N81.3Confident77.3Confident91 Ų9151.3 Ų51.349%0.48724%0.244SC..Hα-helixtrans-66.9-45.4177.3-169.126.2000110.7T45 I49 H50 V51T45-N47 VanDerWaalsContact C-N 3.26Å; T45-N47 PolarHBondContact O-N 2.97Å; T45-N47 PolarHBondContact OG1-N 3.12Å; N47-I49 PolarHBondContact O-N 2.93Å; N47-H50 PolarHBondContact O-N 3.43Å; N47-V51 WeakPolarHBondContact O-CG2 3.38Å; N47-V51 PolarHBondContact O-N 3.33Å
48T81.7Confident77.4Confident3 Ų346.4 Ų46.42%0.01822%0.224CC..Hα-helixtrans-57.5-46.3177.9-35.80000111.5N4 L7 T45 H50 L52N4-T48 PolarHBondContact OD1-OG1 2.93Å; L7-T48 HydrophobicContact CD2-CG2 3.84Å; T45-T48 PolarHBondContact N-OG1 2.81Å; T45-T48 WeakPolarHBondContact O-CB 3.29Å; T45-T48 PolarHBondContact O-N 3.14Å; T45-T48 PolarHBondContact OG1-N 3.48Å; T45-T48 VanDerWaalsContact OG1-N 3.16Å; T45-T48 PolarHBondContact OG1-OG1 3.45Å; T48-H50 VanDerWaalsContact C-N 3.35Å; T48-H50 PolarHBondContact O-N 2.73Å; T48-L52 WeakPolarHBondContact O-CB 3.47Å; T48-L52 PolarHBondContact O-N 3.13Å
49I81.6Confident77.7Confident2 Ų239.4 Ų39.41%0.0120%0.197CC..Hα-helixtrans-64.3-37.8174.2-66.5-97000111.4I44 T45 N47 G53 L90 L93 L94I44-I49 HydrophobicContact CG2-CD1 3.79Å; I44-I49 HydrophobicContact CG2-CG1 3.45Å; I44-I49 VanDerWaalsContact CG2-CG1 3.45Å; T45-I49 PolarHBondContact O-N 3.16Å; N47-I49 PolarHBondContact O-N 2.93Å; I49-G53 WeakPolarHBondContact O-CA 3.45Å; I49-G53 PolarHBondContact O-N 3.45Å; I49-L90 HydrophobicContact CB-CD2 4.5Å; I49-L90 HydrophobicContact CD1-CB 4.07Å; I49-L90 HydrophobicContact CG1-CB 4.1Å; I49-L90 HydrophobicContact CG1-CD2 4.05Å; I49-L90 HydrophobicContact CG1-CG 4.46Å; I49-L93 HydrophobicContact CB-CD2 4.21Å; I49-L93 HydrophobicContact CG2-CB 4.13Å; I49-L93 HydrophobicContact CG2-CD2 3.71Å; I49-L93 HydrophobicContact CG2-CG 3.86Å; I49-L94 HydrophobicContact CG2-CB 4.12Å
50H80.2Confident77.7Confident60 Ų6039.5 Ų39.528%0.27820%0.198SC..Hα-helixtrans-69-41-179.6-169.348.2000112.6L46 N47 T48 K54 L93L46-H50 WeakPolarHBondContact O-CB 3.5Å; L46-H50 PolarHBondContact O-N 3.27Å; N47-H50 PolarHBondContact O-N 3.43Å; T48-H50 VanDerWaalsContact C-N 3.35Å; T48-H50 PolarHBondContact O-N 2.73Å; H50-K54 VanDerWaalsContact CE1-CE 3.46Å; H50-K54 WeakPolarHBondContact CE1-CE 3.38Å; H50-K54 PolarHBondContact CE1-NZ 3.08Å; H50-K54 WeakPolarHBondContact NE2-CE 3.18Å; H50-K54 PolarHBondContact NE2-NZ 2.86Å; H50-K54 WeakPolarHBondContact O-CB 3.39Å; H50-K54 WeakPolarHBondContact O-CG 3.23Å; H50-K54 PolarHBondContact O-N 3.04Å; H50-K54 VanDerWaalsContact O-N 3.15Å; H50-L93 HydrophobicContact CB-CD2 4.29Å
51V83.2Confident77.8Confident29 Ų2944 Ų4418%0.17621%0.212CC..Hα-helixtrans-67.6-47.7174.7175.90000110.6I8 I11 N47 K54 F55I8-V51 HydrophobicContact CG1-CG2 4.4Å; I11-V51 HydrophobicContact CB-CG1 4.18Å; I11-V51 HydrophobicContact CD1-CG1 3.87Å; I11-V51 HydrophobicContact CG2-CG1 3.77Å; N47-V51 WeakPolarHBondContact O-CG2 3.38Å; N47-V51 PolarHBondContact O-N 3.33Å; V51-K54 PolarHBondContact O-N 3.39Å; V51-F55 PolarHBondContact O-N 3.03Å
52L85.8Confident77.9Confident8 Ų845.7 Ų45.74%0.04222%0.223CC..Hα-helixtrans-66-41.2179.3-177.357.3000112.4I11 I35 T48 K54 F55 L56 L80I11-L52 HydrophobicContact CD1-CD1 4.28Å; I35-L52 HydrophobicContact CD1-CD1 3.8Å; I35-L52 HydrophobicContact CD1-CD2 4.35Å; T48-L52 WeakPolarHBondContact O-CB 3.47Å; T48-L52 PolarHBondContact O-N 3.13Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 3.04Å; L52-F55 HydrophobicContact CD1-CD1 4.38Å; L52-F55 WeakPolarHBondContact O-CB 3.17Å; L52-F55 PolarHBondContact O-N 3.26Å; L52-F55 VanDerWaalsContact O-N 3.14Å; L52-L56 HydrophobicContact CD1-CD1 4.32Å; L52-L56 HydrophobicContact CD1-CG 4.26Å; L52-L56 HydrophobicContact CG-CD1 4.04Å; L52-L56 HydrophobicContact CG-CG 4.46Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 2.89Å; L52-L80 HydrophobicContact CD2-CD1 3.79Å
53G82.4Confident77.9Confident0 Ų039.4 Ų39.40%020%0.196CC..Hα-helixtrans-62.3-38.5175.300000112.6I49 S57I49-G53 WeakPolarHBondContact O-CA 3.45Å; I49-G53 PolarHBondContact O-N 3.45Å; G53-S57 WeakPolarHBondContact O-CB 3.35Å; G53-S57 PolarHBondContact O-N 3.05Å
54K81.9Confident77.3Confident105 Ų10543.4 Ų43.446%0.45722%0.215SC..Hα-helixtrans-66.9-36.6171.4-81.6171.8163.1168.80112.9H50 V51 L52 Y58H50-K54 VanDerWaalsContact CE1-CE 3.46Å; H50-K54 WeakPolarHBondContact CE1-CE 3.38Å; H50-K54 PolarHBondContact CE1-NZ 3.08Å; H50-K54 WeakPolarHBondContact NE2-CE 3.18Å; H50-K54 PolarHBondContact NE2-NZ 2.86Å; H50-K54 WeakPolarHBondContact O-CB 3.39Å; H50-K54 WeakPolarHBondContact O-CG 3.23Å; H50-K54 PolarHBondContact O-N 3.04Å; H50-K54 VanDerWaalsContact O-N 3.15Å; V51-K54 PolarHBondContact O-N 3.39Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 3.04Å; K54-Y58 WeakPolarHBondContact O-CB 3.02Å; K54-Y58 PolarHBondContact O-N 2.89Å
55F85Confident76.2Confident0 Ų048.1 Ų48.10%025%0.245CC..Hα-helixtrans-67.6-45.1175.8-174.2-114.6000112.1I11 I14 Y15 F24 S28 L31 L32 V51 L52 Y58 I59I11-F55 HydrophobicContact CD1-CB 4.4Å; I11-F55 HydrophobicContact CD1-CD1 4.49Å; I11-F55 HydrophobicContact CD1-CG 4.48Å; I11-F55 HydrophobicContact CG1-CG 4.49Å; I11-F55 HydrophobicContact CG2-CB 4.3Å; I11-F55 HydrophobicContact CG2-CD2 4Å; I11-F55 HydrophobicContact CG2-CG 4.22Å; I14-F55 HydrophobicContact CG2-CE2 3.96Å; I14-F55 HydrophobicContact CG2-CZ 4.04Å; Y15-F55 HydrophobicContact CD2-CD2 4.42Å; Y15-F55 AromaticContact CE2-CD2 3.78Å; Y15-F55 HydrophobicContact CE2-CD2 3.78Å; Y15-F55 AromaticContact CZ-CD2 3.88Å; F24-F55 HydrophobicContact CE2-CE2 4.41Å; F24-F55 HydrophobicContact CZ-CE2 4Å; S28-F55 WeakPolarHBondContact OG-CZ 3.4Å; L31-F55 HydrophobicContact CD2-CE1 3.96Å; L31-F55 HydrophobicContact CD2-CZ 4.27Å; L32-F55 HydrophobicContact CD2-CE1 4.19Å; V51-F55 PolarHBondContact O-N 3.03Å; L52-F55 HydrophobicContact CD1-CD1 4.38Å; L52-F55 WeakPolarHBondContact O-CB 3.17Å; L52-F55 PolarHBondContact O-N 3.26Å; L52-F55 VanDerWaalsContact O-N 3.14Å; F55-Y58 PolarHBondContact O-N 3.43Å; F55-I59 HydrophobicContact CD1-CD1 3.97Å; F55-I59 HydrophobicContact CE1-CD1 3.65Å; F55-I59 HydrophobicContact CE2-CD1 4.28Å; F55-I59 HydrophobicContact CG-CD1 4.42Å; F55-I59 HydrophobicContact CZ-CD1 3.83Å; F55-I59 WeakPolarHBondContact O-CG1 3.29Å; F55-I59 PolarHBondContact O-N 3.07Å
56L82.9Confident74.7Confident0 Ų047.1 Ų47.10%024%0.237CC..Hα-helixtrans-62.8-47.1174.1-67.5166.3000111.6L32 L52 Y58 I59 I60 C73 I76 I77 L94 L98L32-L56 HydrophobicContact CD2-CD2 4.19Å; L52-L56 HydrophobicContact CD1-CD1 4.32Å; L52-L56 HydrophobicContact CD1-CG 4.26Å; L52-L56 HydrophobicContact CG-CD1 4.04Å; L52-L56 HydrophobicContact CG-CG 4.46Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.3Å; L52-L56 PolarHBondContact O-N 2.89Å; L56-Y58 PolarHBondContact O-N 2.9Å; L56-I59 PolarHBondContact O-N 3.36Å; L56-I60 VanDerWaalsContact O-CB 3.31Å; L56-I60 WeakPolarHBondContact O-CB 3.29Å; L56-I60 WeakPolarHBondContact O-CD1 3.39Å; L56-I60 VanDerWaalsContact O-CG1 3.24Å; L56-I60 WeakPolarHBondContact O-CG1 3.16Å; L56-I60 PolarHBondContact O-N 2.91Å; L56-C73 HydrophobicContact CD2-CB 3.75Å; L56-I76 HydrophobicContact CD1-CG2 4.26Å; L56-I76 HydrophobicContact CD2-CG2 4.45Å; L56-I77 HydrophobicContact CD1-CG1 4.1Å; L56-L94 HydrophobicContact CD1-CD1 4.21Å; L56-L98 HydrophobicContact CB-CD2 4.28Å
57S76.2Confident73.9Confident18 Ų1848.1 Ų48.113%0.12624%0.243CC..Hα-helixtrans-53.3-49.5172.2160.70000111.7G53 I59 I60 R61 D101G53-S57 WeakPolarHBondContact O-CB 3.35Å; G53-S57 PolarHBondContact O-N 3.05Å; S57-I59 PolarHBondContact O-N 3.39Å; S57-I60 PolarHBondContact O-N 3.07Å; S57-R61 WeakPolarHBondContact O-CB 3.41Å; S57-R61 PolarHBondContact O-N 3.49Å; S57-D101 VanDerWaalsContact CB-OD2 3.29Å; S57-D101 WeakPolarHBondContact CB-OD2 3.48Å; S57-D101 PolarHBondContact OG-OD2 2.92Å
58Y79.6Confident73.3Confident57 Ų5752.1 Ų52.122%0.22425%0.252CS..Hα-helixtrans-58.3-47.8177.9177.6-102.9000112.1Y15 F24 K54 F55 L56 R61 T62 Y63Y15-Y58 AromaticContact CE1-CD1 3.85Å; Y15-Y58 HydrophobicContact CE1-CD1 3.85Å; Y15-Y58 HydrophobicContact CE1-CE1 4.16Å; Y15-Y58 HydrophobicContact CE1-CG 4.06Å; Y15-Y58 WeakPolarHBondContact OH-CB 3.39Å; F24-Y58 HydrophobicContact CE1-CE1 4.27Å; F24-Y58 HydrophobicContact CE2-CE1 4.25Å; F24-Y58 HydrophobicContact CZ-CD1 4.03Å; F24-Y58 AromaticContact CZ-CE1 3.67Å; F24-Y58 HydrophobicContact CZ-CE1 3.67Å; K54-Y58 WeakPolarHBondContact O-CB 3.02Å; K54-Y58 PolarHBondContact O-N 2.89Å; F55-Y58 PolarHBondContact O-N 3.43Å; L56-Y58 PolarHBondContact O-N 2.9Å; Y58-R61 PolarHBondContact O-N 3.22Å; Y58-T62 WeakPolarHBondContact O-CB 3.38Å; Y58-T62 PolarHBondContact O-N 3.02Å; Y58-T62 PolarHBondContact O-OG1 3.03Å; Y58-T62 VanDerWaalsContact O-OG1 3.08Å; Y58-Y63 HydrophobicContact CE1-CE2 4.43Å
59I77.5Confident72.8Confident1 Ų152.1 Ų52.11%0.00525%0.252CS..Hα-helixtrans-61.9-53.8179.1-69.1168.7000111.2F24 L32 F55 L56 S57 R61 T62 Y63 I69 C73F24-I59 HydrophobicContact CE1-CG1 4.48Å; L32-I59 HydrophobicContact CD1-CD1 4.44Å; F55-I59 HydrophobicContact CD1-CD1 3.97Å; F55-I59 HydrophobicContact CE1-CD1 3.65Å; F55-I59 HydrophobicContact CE2-CD1 4.28Å; F55-I59 HydrophobicContact CG-CD1 4.42Å; F55-I59 HydrophobicContact CZ-CD1 3.83Å; F55-I59 WeakPolarHBondContact O-CG1 3.29Å; F55-I59 PolarHBondContact O-N 3.07Å; L56-I59 PolarHBondContact O-N 3.36Å; S57-I59 PolarHBondContact O-N 3.39Å; I59-R61 PolarHBondContact O-N 2.96Å; I59-T62 PolarHBondContact O-N 2.83Å; I59-T62 VanDerWaalsContact O-N 3.09Å; I59-Y63 HydrophobicContact CG2-CD2 4.44Å; I59-Y63 PolarHBondContact O-N 3.3Å; I59-I69 HydrophobicContact CG2-CG2 3.26Å; I59-C73 VanDerWaalsContact CG2-SG 3.55Å
60I72.3Confident72.1Confident20 Ų2053.8 Ų53.810%0.10326%0.261CS..Hα-helixtrans-59.8-28.9-177.6-71.4167.8000112.2L56 S57 C73 I77 L98 N105L56-I60 VanDerWaalsContact O-CB 3.31Å; L56-I60 WeakPolarHBondContact O-CB 3.29Å; L56-I60 WeakPolarHBondContact O-CD1 3.39Å; L56-I60 VanDerWaalsContact O-CG1 3.24Å; L56-I60 WeakPolarHBondContact O-CG1 3.16Å; L56-I60 PolarHBondContact O-N 2.91Å; S57-I60 PolarHBondContact O-N 3.07Å; I60-C73 HydrophobicContact CD1-CB 4.22Å; I60-C73 HydrophobicContact CG1-CB 4.19Å; I60-I77 HydrophobicContact CD1-CD1 3.76Å; I60-L98 HydrophobicContact CD1-CD2 4.42Å; I60-N105 VanDerWaalsContact CG2-ND2 3.28Å; I60-N105 WeakPolarHBondContact CG2-ND2 3.26Å; I60-N105 PolarHBondContact O-ND2 3.06Å
61R71.9Confident71.6Confident138 Ų13854.9 Ų54.952%0.52127%0.268SS..Hα-helixtrans-86.7-27.5178-165.1-178.769.3-172.80.9113.5S57 Y58 I59S57-R61 WeakPolarHBondContact O-CB 3.41Å; S57-R61 PolarHBondContact O-N 3.49Å; Y58-R61 PolarHBondContact O-N 3.22Å; I59-R61 PolarHBondContact O-N 2.96Å
62T70.1Confident71.1Confident57 Ų5754.3 Ų54.335%0.3526%0.263SS..Hα-helixtrans-105.2-33.9-167.7-62.60000114.5Y58 I59Y58-T62 WeakPolarHBondContact O-CB 3.38Å; Y58-T62 PolarHBondContact O-N 3.02Å; Y58-T62 PolarHBondContact O-OG1 3.03Å; Y58-T62 VanDerWaalsContact O-OG1 3.08Å; I59-T62 PolarHBondContact O-N 2.83Å; I59-T62 VanDerWaalsContact O-N 3.09Å
63Y65.3Low70.5Confident28 Ų2854 Ų5411%0.1126%0.261CS..  trans-100.793.2-175.1-69.2-85.4000112.5F24 I25 Y58 I59 T65 I66 N70F24-Y63 AromaticContact CD1-CE2 3.98Å; F24-Y63 HydrophobicContact CD1-CE2 3.98Å; F24-Y63 AromaticContact CD1-CZ 3.77Å; F24-Y63 WeakPolarHBondContact CD1-OH 3.45Å; F24-Y63 AromaticContact CE1-CE2 3.62Å; F24-Y63 HydrophobicContact CE1-CE2 3.62Å; F24-Y63 AromaticContact CE1-CZ 3.92Å; I25-Y63 HydrophobicContact CD1-CE1 4.3Å; I25-Y63 HydrophobicContact CG1-CE1 4.13Å; Y58-Y63 HydrophobicContact CE1-CE2 4.43Å; I59-Y63 HydrophobicContact CG2-CD2 4.44Å; I59-Y63 PolarHBondContact O-N 3.3Å; Y63-T65 PolarHBondContact O-N 3.2Å; Y63-I66 HydrophobicContact CD1-CD1 4.08Å; Y63-N70 PolarHBondContact O-ND2 3.09Å
64N53.2Low69.8Low111 Ų11156.1 Ų56.159%0.59427%0.272SS*.SBendtrans-75.5-14.6-177.8-66-48.6000115.1K109N64-K109 PolarHBondContact OD1-NZ 3.04Å
65T50.9Low69.3Low124 Ų12453.6 Ų53.676%0.76126%0.262SS*.SBendtrans-131.411.7-159.151.30000115.3Y63Y63-T65 PolarHBondContact O-N 3.2Å
66I48.4Very low68.9Low40 Ų4053.6 Ų53.621%0.20526%0.262CS..  trans-127.484.7-175.5-51.5179.7000109.7I25 Y63 Y68 I69 N70I25-I66 HydrophobicContact CD1-CD1 3.28Å; I25-I66 HydrophobicContact CG1-CD1 3.75Å; I25-I66 HydrophobicContact CG2-CD1 4.43Å; Y63-I66 HydrophobicContact CD1-CD1 4.08Å; I66-Y68 VanDerWaalsContact C-N 3.28Å; I66-Y68 PolarHBondContact O-N 3.47Å; I66-I69 HydrophobicContact CG2-CB 4.17Å; I66-I69 HydrophobicContact CG2-CG1 4.29Å; I66-I69 PolarHBondContact O-N 3.17Å; I66-I69 VanDerWaalsContact O-N 3.15Å; I66-N70 PolarHBondContact O-N 3.06Å
67D61.4Low68.4Low118 Ų11854.2 Ų54.263%0.63127%0.265SS*.Hα-helixtrans-53.2-44.7-176.8-68.1-42.3000112.3I69 N70 I71D67-I69 PolarHBondContact O-N 3.1Å; D67-I69 VanDerWaalsContact O-N 3.13Å; D67-N70 PolarHBondContact O-N 2.92Å; D67-N70 VanDerWaalsContact O-N 3.12Å; D67-I71 HydrophobicContact CB-CD1 4.11Å; D67-I71 VanDerWaalsContact O-CB 3.31Å; D67-I71 WeakPolarHBondContact O-CB 3.3Å; D67-I71 WeakPolarHBondContact O-CG1 2.83Å; D67-I71 PolarHBondContact O-N 2.8Å
68Y68.1Low68.1Low175 Ų17554.7 Ų54.769%0.68627%0.266SS*.Hα-helixtrans-53.4-36.1-179.9-67.4-75.4000114.6I66 K72I66-Y68 VanDerWaalsContact C-N 3.28Å; I66-Y68 PolarHBondContact O-N 3.47Å; Y68-K72 WeakPolarHBondContact O-CB 3.48Å; Y68-K72 VanDerWaalsContact O-CG 3.28Å; Y68-K72 WeakPolarHBondContact O-CG 3.18Å; Y68-K72 PolarHBondContact O-N 3.3Å
69I71.9Confident67.9Low4 Ų454.8 Ų54.82%0.02127%0.267CS..Hα-helixtrans-81-40.1179.2-82.9-175.2000111.4I25 Y29 I59 I66 D67 K72 C73I25-I69 HydrophobicContact CB-CD1 3.94Å; I25-I69 HydrophobicContact CG1-CD1 4.12Å; I25-I69 HydrophobicContact CG2-CD1 3.62Å; I25-I69 WeakPolarHBondContact O-CD1 3.38Å; Y29-I69 HydrophobicContact CD2-CG1 4.21Å; I59-I69 HydrophobicContact CG2-CG2 3.26Å; I66-I69 HydrophobicContact CG2-CB 4.17Å; I66-I69 HydrophobicContact CG2-CG1 4.29Å; I66-I69 PolarHBondContact O-N 3.17Å; I66-I69 VanDerWaalsContact O-N 3.15Å; D67-I69 PolarHBondContact O-N 3.1Å; D67-I69 VanDerWaalsContact O-N 3.13Å; I69-K72 PolarHBondContact O-N 2.93Å; I69-C73 PolarHBondContact O-N 2.87Å; I69-C73 PolarHBondContact O-SG 3.04Å
70N66.9Low67.8Low36 Ų3654.8 Ų54.819%0.19327%0.267CS..Hα-helixtrans-68.1-38.1177.2-72.3-30.8000111.4Y63 I66 D67 C73 I74Y63-N70 PolarHBondContact O-ND2 3.09Å; I66-N70 PolarHBondContact O-N 3.06Å; D67-N70 PolarHBondContact O-N 2.92Å; D67-N70 VanDerWaalsContact O-N 3.12Å; N70-C73 WeakPolarHBondContact O-CB 3.39Å; N70-C73 PolarHBondContact O-N 2.98Å; N70-I74 WeakPolarHBondContact O-CG1 3.42Å; N70-I74 PolarHBondContact O-N 3.01Å
71I68Low67.6Low84 Ų8454.3 Ų54.343%0.43127%0.265SS..Hα-helixtrans-58.2-50170-69.3165.7000110.1D67 C73 I74 E75D67-I71 HydrophobicContact CB-CD1 4.11Å; D67-I71 VanDerWaalsContact O-CB 3.31Å; D67-I71 WeakPolarHBondContact O-CB 3.3Å; D67-I71 WeakPolarHBondContact O-CG1 2.83Å; D67-I71 PolarHBondContact O-N 2.8Å; I71-C73 VanDerWaalsContact C-N 3.3Å; I71-C73 PolarHBondContact O-N 2.59Å; I71-I74 CarbonylContact O-C 3.57Å; I71-I74 PolarHBondContact O-N 3.06Å; I71-E75 HydrophobicContact CG2-CG 4.44Å; I71-E75 PolarHBondContact O-N 3.41Å
72K73.7Confident67.3Low17 Ų1751.2 Ų51.27%0.07426%0.261CS..Hα-helixtrans-61.6-34.9176.9-77.4-75.2159.5-173.80113.7Y29 L32 N33 L36 Y68 I69 E75 I76Y29-K72 HydrophobicContact CD2-CG 3.97Å; Y29-K72 HydrophobicContact CE2-CD 4.33Å; Y29-K72 HydrophobicContact CE2-CG 3.57Å; L32-K72 HydrophobicContact CB-CB 4.4Å; L32-K72 HydrophobicContact CD1-CB 4.05Å; N33-K72 WeakPolarHBondContact OD1-CD 3.41Å; N33-K72 VanDerWaalsContact OD1-CE 3.29Å; N33-K72 WeakPolarHBondContact OD1-CE 3.41Å; N33-K72 PolarHBondContact OD1-NZ 3.2Å; L36-K72 HydrophobicContact CD1-CD 4.24Å; Y68-K72 WeakPolarHBondContact O-CB 3.48Å; Y68-K72 VanDerWaalsContact O-CG 3.28Å; Y68-K72 WeakPolarHBondContact O-CG 3.18Å; Y68-K72 PolarHBondContact O-N 3.3Å; I69-K72 PolarHBondContact O-N 2.93Å; K72-E75 WeakPolarHBondContact CD-OE2 3.23Å; K72-E75 WeakPolarHBondContact CE-OE1 3.47Å; K72-E75 VanDerWaalsContact CE-OE2 3.23Å; K72-E75 WeakPolarHBondContact CE-OE2 3.32Å; K72-E75 IonicContact NZ-OE1 3.15Å; K72-E75 IonicContact NZ-OE2 3.91Å; K72-E75 PolarHBondContact NZ-OE2 3.11Å; K72-I76 WeakPolarHBondContact O-CD1 3.42Å; K72-I76 WeakPolarHBondContact O-CG1 3.39Å; K72-I76 PolarHBondContact O-N 3.04Å; K72-I76 VanDerWaalsContact O-N 3.09Å
73C73.4Confident67.4Low0 Ų049.8 Ų49.80%025%0.251CS..Hα-helixtrans-64.4-41.3172.3-670000111.7L56 I59 I60 I69 N70 I71 I76 I77L56-C73 HydrophobicContact CD2-CB 3.75Å; I59-C73 VanDerWaalsContact CG2-SG 3.55Å; I60-C73 HydrophobicContact CD1-CB 4.22Å; I60-C73 HydrophobicContact CG1-CB 4.19Å; I69-C73 PolarHBondContact O-N 2.87Å; I69-C73 PolarHBondContact O-SG 3.04Å; N70-C73 WeakPolarHBondContact O-CB 3.39Å; N70-C73 PolarHBondContact O-N 2.98Å; I71-C73 VanDerWaalsContact C-N 3.3Å; I71-C73 PolarHBondContact O-N 2.59Å; C73-I76 PolarHBondContact O-N 2.82Å; C73-I77 WeakPolarHBondContact O-CD1 3.24Å; C73-I77 VanDerWaalsContact O-CG1 3.24Å; C73-I77 WeakPolarHBondContact O-CG1 3.42Å; C73-I77 PolarHBondContact O-N 2.83Å
74I68.2Low67.7Low45 Ų4557.7 Ų57.723%0.23128%0.282CS..Hα-helixtrans-70.4-39.5177.6-64.9163.7000111.5N70 I71 I76 I77 N78 Y116N70-I74 WeakPolarHBondContact O-CG1 3.42Å; N70-I74 PolarHBondContact O-N 3.01Å; I71-I74 CarbonylContact O-C 3.57Å; I71-I74 PolarHBondContact O-N 3.06Å; I74-I76 VanDerWaalsContact C-N 3.29Å; I74-I76 PolarHBondContact O-N 3.4Å; I74-I77 PolarHBondContact O-N 3.05Å; I74-N78 WeakPolarHBondContact O-CB 3.48Å; I74-N78 PolarHBondContact O-N 3.09Å; I74-Y116 HydrophobicContact CG2-CD1 3.84Å; I74-Y116 HydrophobicContact CG2-CE1 3.95Å
75E71.4Confident68.5Low53 Ų5355.5 Ų55.525%0.24827%0.27CS..Hα-helixtrans-54.8-45.4170.9-75.1177.1-150.500111.3L36 I71 K72 N78 Y79L36-E75 HydrophobicContact CD1-CB 4.49Å; I71-E75 HydrophobicContact CG2-CG 4.44Å; I71-E75 PolarHBondContact O-N 3.41Å; K72-E75 WeakPolarHBondContact CD-OE2 3.23Å; K72-E75 WeakPolarHBondContact CE-OE1 3.47Å; K72-E75 VanDerWaalsContact CE-OE2 3.23Å; K72-E75 WeakPolarHBondContact CE-OE2 3.32Å; K72-E75 IonicContact NZ-OE1 3.15Å; K72-E75 IonicContact NZ-OE2 3.91Å; K72-E75 PolarHBondContact NZ-OE2 3.11Å; E75-N78 PolarHBondContact O-N 2.84Å; E75-Y79 VanDerWaalsContact O-CB 3.29Å; E75-Y79 WeakPolarHBondContact O-CB 3.44Å; E75-Y79 PolarHBondContact O-N 3.1Å
76I75.9Confident69.4Low0 Ų049.8 Ų49.80%024%0.235CC..Hα-helixtrans-72.1-38.9179.9-74.5161.4000112.1L32 I35 L36 L56 K72 C73 I74 N78 Y79 L80L32-I76 HydrophobicContact CB-CD1 3.43Å; L32-I76 VanDerWaalsContact CB-CD1 3.43Å; L32-I76 HydrophobicContact CD2-CD1 3.38Å; L32-I76 HydrophobicContact CG-CD1 3.89Å; L32-I76 VanDerWaalsContact O-CD1 3.32Å; L32-I76 WeakPolarHBondContact O-CD1 3.39Å; I35-I76 HydrophobicContact CG2-CG2 4.41Å; L36-I76 HydrophobicContact CD1-CD1 4.41Å; L36-I76 HydrophobicContact CD1-CG1 4.05Å; L36-I76 HydrophobicContact CD2-CG1 3.67Å; L36-I76 HydrophobicContact CG-CD1 4.23Å; L36-I76 HydrophobicContact CG-CG1 3.67Å; L56-I76 HydrophobicContact CD1-CG2 4.26Å; L56-I76 HydrophobicContact CD2-CG2 4.45Å; K72-I76 WeakPolarHBondContact O-CD1 3.42Å; K72-I76 WeakPolarHBondContact O-CG1 3.39Å; K72-I76 PolarHBondContact O-N 3.04Å; K72-I76 VanDerWaalsContact O-N 3.09Å; C73-I76 PolarHBondContact O-N 2.82Å; I74-I76 VanDerWaalsContact C-N 3.29Å; I74-I76 PolarHBondContact O-N 3.4Å; I76-N78 VanDerWaalsContact C-N 3.31Å; I76-N78 PolarHBondContact O-N 3.47Å; I76-Y79 PolarHBondContact O-N 3.49Å; I76-L80 HydrophobicContact CG2-CD1 3.65Å; I76-L80 HydrophobicContact CG2-CG 4.15Å; I76-L80 WeakPolarHBondContact O-CB 3.14Å; I76-L80 WeakPolarHBondContact O-CG 3.33Å; I76-L80 PolarHBondContact O-N 3.4Å
77I72.9Confident70.6Confident12 Ų1254.9 Ų54.96%0.06226%0.255CS..Hα-helixtrans-60-45.5172.2-70.5162.2000109.7L56 I60 C73 I74 L80 I81 L98L56-I77 HydrophobicContact CD1-CG1 4.1Å; I60-I77 HydrophobicContact CD1-CD1 3.76Å; C73-I77 WeakPolarHBondContact O-CD1 3.24Å; C73-I77 VanDerWaalsContact O-CG1 3.24Å; C73-I77 WeakPolarHBondContact O-CG1 3.42Å; C73-I77 PolarHBondContact O-N 2.83Å; I74-I77 PolarHBondContact O-N 3.05Å; I77-L80 PolarHBondContact O-N 3.02Å; I77-I81 HydrophobicContact CG2-CD1 3.6Å; I77-I81 HydrophobicContact CG2-CG1 4.42Å; I77-I81 WeakPolarHBondContact O-CB 3.35Å; I77-I81 WeakPolarHBondContact O-CG1 3.21Å; I77-I81 PolarHBondContact O-N 2.83Å; I77-L98 HydrophobicContact CD1-CD1 3.72Å; I77-L98 HydrophobicContact CG1-CD1 3.87Å
78N68.5Low70.9Confident28 Ų2853.8 Ų53.815%0.1525%0.25CC..Hα-helixtrans-61.8-47.2176.5-169.423.7000111.6I74 E75 I76 L80 I81 T82 Y116I74-N78 WeakPolarHBondContact O-CB 3.48Å; I74-N78 PolarHBondContact O-N 3.09Å; E75-N78 PolarHBondContact O-N 2.84Å; I76-N78 VanDerWaalsContact C-N 3.31Å; I76-N78 PolarHBondContact O-N 3.47Å; N78-L80 PolarHBondContact O-N 3.37Å; N78-I81 PolarHBondContact O-N 3.18Å; N78-T82 WeakPolarHBondContact O-CB 3.35Å; N78-T82 WeakPolarHBondContact O-CG2 3.29Å; N78-T82 PolarHBondContact O-N 3.42Å; N78-T82 PolarHBondContact O-OG1 3.29Å; N78-T82 VanDerWaalsContact OD1-CG2 3.24Å; N78-T82 WeakPolarHBondContact OD1-CG2 3.33Å; N78-Y116 HydrophobicContact CB-CE1 4.19Å; N78-Y116 PolarHBondContact ND2-OH 3.13Å
79Y76.5Confident70.8Confident59 Ų5952.7 Ų52.723%0.23125%0.251CS..Hα-helixtrans-57.2-48.6175.9-178.7-93.3000111.9L36 I41 E75 I76 I81 N83L36-Y79 HydrophobicContact CD2-CD1 4.29Å; L36-Y79 HydrophobicContact CD2-CD2 3.81Å; L36-Y79 HydrophobicContact CD2-CE2 4.22Å; L36-Y79 HydrophobicContact CD2-CG 3.81Å; L36-Y79 PolarHBondContact O-OH 3.49Å; I41-Y79 HydrophobicContact CD1-CE1 3.89Å; I41-Y79 WeakPolarHBondContact CD1-OH 3.4Å; I41-Y79 HydrophobicContact CG1-CE1 4.09Å; E75-Y79 VanDerWaalsContact O-CB 3.29Å; E75-Y79 WeakPolarHBondContact O-CB 3.44Å; E75-Y79 PolarHBondContact O-N 3.1Å; I76-Y79 PolarHBondContact O-N 3.49Å; Y79-I81 VanDerWaalsContact C-N 3.35Å; Y79-I81 PolarHBondContact O-N 2.92Å; Y79-N83 WeakPolarHBondContact O-CB 3.35Å; Y79-N83 PolarHBondContact O-N 2.88Å
80L74.4Confident70.7Confident2 Ų253.2 Ų53.21%0.0125%0.254CS..Hα-helixtrans-68.7-29.8-179.5-66.4170.7000113.3I44 L52 I76 I77 N78 I86 K91 L94I44-L80 HydrophobicContact CD1-CD2 4.02Å; L52-L80 HydrophobicContact CD2-CD1 3.79Å; I76-L80 HydrophobicContact CG2-CD1 3.65Å; I76-L80 HydrophobicContact CG2-CG 4.15Å; I76-L80 WeakPolarHBondContact O-CB 3.14Å; I76-L80 WeakPolarHBondContact O-CG 3.33Å; I76-L80 PolarHBondContact O-N 3.4Å; I77-L80 PolarHBondContact O-N 3.02Å; N78-L80 PolarHBondContact O-N 3.37Å; L80-I86 HydrophobicContact CB-CD1 4.14Å; L80-I86 HydrophobicContact CD2-CD1 3.51Å; L80-I86 HydrophobicContact CG-CD1 4.42Å; L80-I86 WeakPolarHBondContact O-CD1 3.42Å; L80-K91 WeakPolarHBondContact O-CE 3.37Å; L80-L94 HydrophobicContact CB-CD2 3.55Å; L80-L94 HydrophobicContact CD1-CD2 3.68Å; L80-L94 HydrophobicContact CG-CD2 4.28Å
81I68Low70.9Confident10 Ų1052.3 Ų52.35%0.05125%0.248CC..Hα-helixtrans-81.6-42.7177.6-67.3175.3000111.6I77 N78 Y79 K91 I95 Y124I77-I81 HydrophobicContact CG2-CD1 3.6Å; I77-I81 HydrophobicContact CG2-CG1 4.42Å; I77-I81 WeakPolarHBondContact O-CB 3.35Å; I77-I81 WeakPolarHBondContact O-CG1 3.21Å; I77-I81 PolarHBondContact O-N 2.83Å; N78-I81 PolarHBondContact O-N 3.18Å; Y79-I81 VanDerWaalsContact C-N 3.35Å; Y79-I81 PolarHBondContact O-N 2.92Å; I81-K91 WeakPolarHBondContact O-CD 3.32Å; I81-K91 WeakPolarHBondContact O-CE 3.27Å; I81-K91 PolarHBondContact O-NZ 3.39Å; I81-I95 HydrophobicContact CD1-CD1 3.52Å; I81-I95 HydrophobicContact CD1-CG1 3.73Å; I81-I95 HydrophobicContact CG1-CD1 3.66Å; I81-I95 HydrophobicContact CG1-CG1 4.43Å; I81-Y124 HydrophobicContact CD1-CD2 4.45Å; I81-Y124 HydrophobicContact CG2-CD2 4.36Å
82T66.5Low70.8Confident72 Ų7250.7 Ų50.744%0.44224%0.24SC..Hα-helixtrans-77.6-31.8-178.354.90000112.9N78 Y84N78-T82 WeakPolarHBondContact O-CB 3.35Å; N78-T82 WeakPolarHBondContact O-CG2 3.29Å; N78-T82 PolarHBondContact O-N 3.42Å; N78-T82 PolarHBondContact O-OG1 3.29Å; N78-T82 VanDerWaalsContact OD1-CG2 3.24Å; N78-T82 WeakPolarHBondContact OD1-CG2 3.33Å; T82-Y84 PolarHBondContact O-N 2.74Å
83N71.5Confident70.5Confident27 Ų2750.3 Ų50.314%0.14424%0.239CC..  trans-64.9125.1-175.2-161.9-65.6000112.2I41 Y79 L85 I86 K91I41-N83 WeakPolarHBondContact CD1-ND2 3.41Å; Y79-N83 WeakPolarHBondContact O-CB 3.35Å; Y79-N83 PolarHBondContact O-N 2.88Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 PolarHBondContact O-N 2.97Å; N83-L85 VanDerWaalsContact OD1-CB 3.25Å; N83-L85 WeakPolarHBondContact OD1-CB 3.5Å; N83-L85 WeakPolarHBondContact OD1-CG 3.26Å; N83-L85 PolarHBondContact OD1-N 2.83Å; N83-I86 HydrophobicContact CB-CD1 4.27Å; N83-I86 PolarHBondContact O-N 3.18Å; N83-K91 WeakPolarHBondContact O-CE 3.39Å; N83-K91 PolarHBondContact O-NZ 3.18Å
84Y71.2Confident70.3Confident194 Ų19450.3 Ų50.376%0.76124%0.239SC*.THydrogen-bonded Turntrans-73.2-17.2-175.764-89.3000113.7T82 I86T82-Y84 PolarHBondContact O-N 2.74Å; Y84-I86 VanDerWaalsContact C-N 3.27Å; Y84-I86 PolarHBondContact O-N 2.78Å
85L70.9Confident70.2Confident65 Ų6548.9 Ų48.934%0.3423%0.232SC..THydrogen-bonded Turntrans-73.8-19.1178.6-61170.9000112.7I41 K42 N83I41-L85 HydrophobicContact CB-CD1 4.23Å; I41-L85 HydrophobicContact CG2-CB 3.93Å; I41-L85 HydrophobicContact CG2-CD1 4.3Å; K42-L85 HydrophobicContact CG-CD1 4.13Å; K42-L85 HydrophobicContact CG-CD2 4.49Å; N83-L85 VanDerWaalsContact C-N 3.29Å; N83-L85 PolarHBondContact O-N 2.97Å; N83-L85 VanDerWaalsContact OD1-CB 3.25Å; N83-L85 WeakPolarHBondContact OD1-CB 3.5Å; N83-L85 WeakPolarHBondContact OD1-CG 3.26Å; N83-L85 PolarHBondContact OD1-N 2.83Å
86I69.6Low69.9Low4 Ų450.1 Ų50.12%0.02124%0.237CC..SBendtrans-88.1120.1-178-62.9169.8000109.3I41 I44 L80 N83 Y84 L90 K91I41-I86 HydrophobicContact CG2-CD1 3.94Å; I41-I86 HydrophobicContact CG2-CG1 3.65Å; I44-I86 HydrophobicContact CD1-CD1 4.04Å; I44-I86 HydrophobicContact CD1-CG1 4.27Å; L80-I86 HydrophobicContact CB-CD1 4.14Å; L80-I86 HydrophobicContact CD2-CD1 3.51Å; L80-I86 HydrophobicContact CG-CD1 4.42Å; L80-I86 WeakPolarHBondContact O-CD1 3.42Å; N83-I86 HydrophobicContact CB-CD1 4.27Å; N83-I86 PolarHBondContact O-N 3.18Å; Y84-I86 VanDerWaalsContact C-N 3.27Å; Y84-I86 PolarHBondContact O-N 2.78Å; I86-L90 HydrophobicContact CG2-CB 3.78Å; I86-L90 HydrophobicContact CG2-CD1 4.26Å; I86-K91 HydrophobicContact CG2-CG 3.91Å; I86-K91 VanDerWaalsContact O-CE 3.24Å; I86-K91 WeakPolarHBondContact O-CE 3.38Å
87K73.7Confident69.3Low147 Ų14750.7 Ų50.764%0.63924%0.24SC*.  trans-55.8137.9179.7-59.1177.7-178.1176.80110.9Q89 L90 K91K87-Q89 PolarHBondContact O-N 2.84Å; K87-L90 HydrophobicContact CB-CD1 4.19Å; K87-L90 HydrophobicContact CB-CG 4.29Å; K87-L90 WeakPolarHBondContact O-CA 3.18Å; K87-L90 VanDerWaalsContact O-CB 3.31Å; K87-L90 WeakPolarHBondContact O-CB 3.4Å; K87-L90 PolarHBondContact O-N 2.79Å; K87-K91 PolarHBondContact O-N 3.29Å
88N67Low69Low95 Ų9550.1 Ų50.151%0.50824%0.237SC..Hα-helixtrans-56.9-30.3179.9-679.1000113.1L90 K91 N92N88-L90 VanDerWaalsContact C-N 3.26Å; N88-L90 PolarHBondContact O-N 2.88Å; N88-K91 PolarHBondContact O-N 2.88Å; N88-N92 WeakPolarHBondContact O-CB 3.4Å; N88-N92 PolarHBondContact O-N 3.38Å; N88-N92 PolarHBondContact O-OD1 3.07Å
89Q66.1Low68.5Low152 Ų15251.4 Ų51.471%0.7124%0.243SC*.Hα-helixtrans-57.7-35.5171.3-68.4175.8-2100113.7K87 L93K87-Q89 PolarHBondContact O-N 2.84Å; Q89-L93 PolarHBondContact O-N 3.08Å
90L70.5Confident67.6Low16 Ų1651 Ų518%0.08424%0.241CC..Hα-helixtrans-77-40.8177.6-64.5172.3000111.1L46 I49 I86 K87 N88 N92 L93 L94L46-L90 HydrophobicContact CB-CD2 4.12Å; L46-L90 HydrophobicContact CD1-CD2 3.78Å; I49-L90 HydrophobicContact CB-CD2 4.5Å; I49-L90 HydrophobicContact CD1-CB 4.07Å; I49-L90 HydrophobicContact CG1-CB 4.1Å; I49-L90 HydrophobicContact CG1-CD2 4.05Å; I49-L90 HydrophobicContact CG1-CG 4.46Å; I86-L90 HydrophobicContact CG2-CB 3.78Å; I86-L90 HydrophobicContact CG2-CD1 4.26Å; K87-L90 HydrophobicContact CB-CD1 4.19Å; K87-L90 HydrophobicContact CB-CG 4.29Å; K87-L90 WeakPolarHBondContact O-CA 3.18Å; K87-L90 VanDerWaalsContact O-CB 3.31Å; K87-L90 WeakPolarHBondContact O-CB 3.4Å; K87-L90 PolarHBondContact O-N 2.79Å; N88-L90 VanDerWaalsContact C-N 3.26Å; N88-L90 PolarHBondContact O-N 2.88Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 3.25Å; L90-L93 WeakPolarHBondContact O-CB 3.46Å; L90-L93 PolarHBondContact O-N 2.93Å; L90-L93 VanDerWaalsContact O-N 3.09Å; L90-L94 PolarHBondContact O-N 3.32Å
91K71.4Confident66.7Low16 Ų1651.6 Ų51.67%0.0724%0.244CC..Hα-helixtrans-57.2-48.7171.1-59.8-175.7178-178.90110.4L80 I81 N83 I86 K87 N88 L93 L94 I95L80-K91 WeakPolarHBondContact O-CE 3.37Å; I81-K91 WeakPolarHBondContact O-CD 3.32Å; I81-K91 WeakPolarHBondContact O-CE 3.27Å; I81-K91 PolarHBondContact O-NZ 3.39Å; N83-K91 WeakPolarHBondContact O-CE 3.39Å; N83-K91 PolarHBondContact O-NZ 3.18Å; I86-K91 HydrophobicContact CG2-CG 3.91Å; I86-K91 VanDerWaalsContact O-CE 3.24Å; I86-K91 WeakPolarHBondContact O-CE 3.38Å; K87-K91 PolarHBondContact O-N 3.29Å; N88-K91 PolarHBondContact O-N 2.88Å; K91-L93 PolarHBondContact O-N 3.16Å; K91-L93 VanDerWaalsContact O-N 3.16Å; K91-L94 PolarHBondContact O-N 2.59Å; K91-I95 WeakPolarHBondContact O-CD1 3.35Å; K91-I95 PolarHBondContact O-N 3.27Å
92N64.7Low66.2Low51 Ų5153.8 Ų53.827%0.27326%0.255SS..Hα-helixtrans-64.6-19.2177.4-63.212.2000113.4N88 L90 H96 N128 R610N88-N92 WeakPolarHBondContact O-CB 3.4Å; N88-N92 PolarHBondContact O-N 3.38Å; N88-N92 PolarHBondContact O-OD1 3.07Å; L90-N92 VanDerWaalsContact C-N 3.33Å; L90-N92 PolarHBondContact O-N 3.25Å; N92-H96 WeakPolarHBondContact O-CB 3.39Å; N92-N128 PolarHBondContact OD1-ND2 3.47Å; N92-N128 PolarHBondContact OD1-OD1 2.85Å; N92-N128 VanDerWaalsContact OD1-OD1 3.11Å; N92-R610 PolarHBondContact O-NH2 2.94Å
93L67.9Low65.5Low8 Ų851.4 Ų51.44%0.04224%0.242CC..Hα-helixtrans-78.2-48.7166.8174.863.5000111.1L46 I49 H50 Q89 L90 K91 I95 H96 L97 R610L46-L93 HydrophobicContact CD1-CD2 3.58Å; L46-L93 HydrophobicContact CG-CD2 4.15Å; I49-L93 HydrophobicContact CB-CD2 4.21Å; I49-L93 HydrophobicContact CG2-CB 4.13Å; I49-L93 HydrophobicContact CG2-CD2 3.71Å; I49-L93 HydrophobicContact CG2-CG 3.86Å; H50-L93 HydrophobicContact CB-CD2 4.29Å; Q89-L93 PolarHBondContact O-N 3.08Å; L90-L93 WeakPolarHBondContact O-CB 3.46Å; L90-L93 PolarHBondContact O-N 2.93Å; L90-L93 VanDerWaalsContact O-N 3.09Å; K91-L93 PolarHBondContact O-N 3.16Å; K91-L93 VanDerWaalsContact O-N 3.16Å; L93-I95 PolarHBondContact O-N 2.98Å; L93-H96 PolarHBondContact O-N 3.5Å; L93-L97 HydrophobicContact CD1-CD1 3.76Å; L93-L97 HydrophobicContact CD1-CD2 4.34Å; L93-L97 HydrophobicContact CD1-CG 3.84Å; L93-L97 HydrophobicContact CG-CD1 3.83Å; L93-L97 HydrophobicContact CG-CG 4.34Å; L93-L97 VanDerWaalsContact O-CG 3.29Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 3.46Å; L93-R610 VanDerWaalsContact CA-NH2 3.33Å
94L70.2Confident64.4Low1 Ų152.1 Ų52.11%0.00525%0.245CC..Hα-helixtrans-56.9-50.6-178.4-176.364.8000111.8I49 L56 L80 L90 K91 L97 L98I49-L94 HydrophobicContact CG2-CB 4.12Å; L56-L94 HydrophobicContact CD1-CD1 4.21Å; L80-L94 HydrophobicContact CB-CD2 3.55Å; L80-L94 HydrophobicContact CD1-CD2 3.68Å; L80-L94 HydrophobicContact CG-CD2 4.28Å; L90-L94 PolarHBondContact O-N 3.32Å; K91-L94 PolarHBondContact O-N 2.59Å; L94-L97 PolarHBondContact O-N 2.97Å; L94-L98 HydrophobicContact CD1-CD1 3.94Å; L94-L98 HydrophobicContact CG-CD1 4.05Å; L94-L98 WeakPolarHBondContact O-CG 3.28Å; L94-L98 PolarHBondContact O-N 2.66Å
95I65.7Low63.5Low14 Ų1444.6 Ų44.67%0.07222%0.218CC..Hα-helixtrans-69.8-41.5178.8-61.783.3000111.3I81 K91 L93 L97 L98 E99 Y124I81-I95 HydrophobicContact CD1-CD1 3.52Å; I81-I95 HydrophobicContact CD1-CG1 3.73Å; I81-I95 HydrophobicContact CG1-CD1 3.66Å; I81-I95 HydrophobicContact CG1-CG1 4.43Å; K91-I95 WeakPolarHBondContact O-CD1 3.35Å; K91-I95 PolarHBondContact O-N 3.27Å; L93-I95 PolarHBondContact O-N 2.98Å; I95-L97 PolarHBondContact O-N 3.44Å; I95-L98 CarbonylContact O-C 3.57Å; I95-L98 WeakPolarHBondContact O-CA 3.36Å; I95-L98 PolarHBondContact O-N 2.81Å; I95-E99 WeakPolarHBondContact O-CA 3.27Å; I95-E99 WeakPolarHBondContact O-CB 3.36Å; I95-E99 PolarHBondContact O-N 3.44Å; I95-Y124 HydrophobicContact CB-CD2 4.47Å; I95-Y124 HydrophobicContact CB-CE1 4.29Å; I95-Y124 HydrophobicContact CB-CE2 3.79Å; I95-Y124 HydrophobicContact CD1-CD2 3.55Å; I95-Y124 HydrophobicContact CD1-CE2 3.27Å; I95-Y124 HydrophobicContact CG1-CD2 3.61Å; I95-Y124 HydrophobicContact CG1-CE1 4.32Å; I95-Y124 HydrophobicContact CG1-CE2 3.37Å; I95-Y124 HydrophobicContact CG1-CG 4.18Å; I95-Y124 HydrophobicContact CG2-CD1 4.34Å; I95-Y124 HydrophobicContact CG2-CE1 3.72Å; I95-Y124 HydrophobicContact CG2-CE2 4.15Å
96H64.9Low62.5Low79 Ų7943.2 Ų43.237%0.36621%0.211SC..Hα-helixtrans-64.2-25.4179.3-169-24.7000112.8N92 L93N92-H96 WeakPolarHBondContact O-CB 3.39Å; L93-H96 PolarHBondContact O-N 3.5Å
97L64.3Low61.3Low12 Ų1247.8 Ų47.86%0.06324%0.235CC..Hα-helixtrans-72.6-34.5169.4-71.2168.8000112.5L93 L94 I95L93-L97 HydrophobicContact CD1-CD1 3.76Å; L93-L97 HydrophobicContact CD1-CD2 4.34Å; L93-L97 HydrophobicContact CD1-CG 3.84Å; L93-L97 HydrophobicContact CG-CD1 3.83Å; L93-L97 HydrophobicContact CG-CG 4.34Å; L93-L97 VanDerWaalsContact O-CG 3.29Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 3.46Å; L94-L97 PolarHBondContact O-N 2.97Å; I95-L97 PolarHBondContact O-N 3.44Å
98L65.3Low60.1Low0 Ų046 Ų460%023%0.233CC..Hα-helixtrans-94.2-11.5-176.9-64.7169.9000113.6L56 I60 I77 L94 I95 Y100 D101 L102L56-L98 HydrophobicContact CB-CD2 4.28Å; I60-L98 HydrophobicContact CD1-CD2 4.42Å; I77-L98 HydrophobicContact CD1-CD1 3.72Å; I77-L98 HydrophobicContact CG1-CD1 3.87Å; L94-L98 HydrophobicContact CD1-CD1 3.94Å; L94-L98 HydrophobicContact CG-CD1 4.05Å; L94-L98 WeakPolarHBondContact O-CG 3.28Å; L94-L98 PolarHBondContact O-N 2.66Å; I95-L98 CarbonylContact O-C 3.57Å; I95-L98 WeakPolarHBondContact O-CA 3.36Å; I95-L98 PolarHBondContact O-N 2.81Å; L98-Y100 PolarHBondContact O-N 2.99Å; L98-D101 PolarHBondContact O-N 3.16Å; L98-D101 VanDerWaalsContact O-N 3.17Å; L98-L102 HydrophobicContact CB-CD1 3.72Å; L98-L102 HydrophobicContact CB-CG 4.07Å; L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.4Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.47Å; L98-L102 PolarHBondContact O-N 3.48Å
99E58.8Low59.1Low56 Ų5646.8 Ų46.826%0.26223%0.231SC..Hα-helixtrans-56.4-39.1-170.9-177.4174.8176.300111.6I95 S103 L134I95-E99 WeakPolarHBondContact O-CA 3.27Å; I95-E99 WeakPolarHBondContact O-CB 3.36Å; I95-E99 PolarHBondContact O-N 3.44Å; E99-S103 VanDerWaalsContact O-CB 3.23Å; E99-S103 WeakPolarHBondContact O-CB 3.21Å; E99-S103 PolarHBondContact O-N 2.93Å; E99-S103 PolarHBondContact O-OG 3.38Å; E99-L134 WeakPolarHBondContact OE1-CD2 3.32Å
100Y56.4Low58Low51 Ų5144.5 Ų44.520%0.222%0.221CC..Hα-helixtrans-74.1-52.4174.2-174.6-116.7000113.4L98 L102 S103 L104 S604 V605L98-Y100 PolarHBondContact O-N 2.99Å; Y100-L102 PolarHBondContact O-N 2.81Å; Y100-S103 PolarHBondContact O-N 2.79Å; Y100-S103 PolarHBondContact O-OG 2.93Å; Y100-L104 HydrophobicContact CE1-CD2 3.85Å; Y100-L104 HydrophobicContact CE2-CB 4.25Å; Y100-L104 HydrophobicContact CE2-CD1 4.04Å; Y100-L104 WeakPolarHBondContact O-CB 3.39Å; Y100-L104 PolarHBondContact O-N 3.01Å; Y100-L104 WeakPolarHBondContact OH-CD1 3.3Å; Y100-L104 WeakPolarHBondContact OH-CD2 3.36Å; Y100-S604 VanDerWaalsContact CE2-N 3.32Å; Y100-S604 VanDerWaalsContact CZ-CA 3.44Å; Y100-S604 VanDerWaalsContact OH-CA 3.31Å; Y100-S604 WeakPolarHBondContact OH-CA 3.41Å; Y100-S604 PolarHBondContact OH-N 2.86Å; Y100-V605 WeakPolarHBondContact CB-O 3.42Å; Y100-V605 VanDerWaalsContact CD1-O 3.24Å; Y100-V605 WeakPolarHBondContact CD1-O 3.3Å; Y100-V605 HydrophobicContact CD2-CB 3.71Å; Y100-V605 HydrophobicContact CD2-CG2 4.4Å; Y100-V605 VanDerWaalsContact CD2-N 3.31Å; Y100-V605 VanDerWaalsContact CE2-N 3.33Å; Y100-V605 HydrophobicContact CG-CB 3.94Å
101D57Low56.6Low13 Ų1352.1 Ų52.17%0.0726%0.261CS..Hα-helixtrans-64.1-32.5-177-65.8-51.4000111.8S57 L98 N105S57-D101 VanDerWaalsContact CB-OD2 3.29Å; S57-D101 WeakPolarHBondContact CB-OD2 3.48Å; S57-D101 PolarHBondContact OG-OD2 2.92Å; L98-D101 PolarHBondContact O-N 3.16Å; L98-D101 VanDerWaalsContact O-N 3.17Å; D101-N105 VanDerWaalsContact O-CB 3.31Å; D101-N105 WeakPolarHBondContact O-CB 3.41Å; D101-N105 PolarHBondContact O-N 3.29Å
102L56.1Low55.3Low56 Ų5658.3 Ų58.329%0.29329%0.294SS..Hα-helixtrans-68.9-54.8170.8-70170.9000111.4L98 Y100 L104 N105 L106L98-L102 HydrophobicContact CB-CD1 3.72Å; L98-L102 HydrophobicContact CB-CG 4.07Å; L98-L102 VanDerWaalsContact O-CB 3.23Å; L98-L102 WeakPolarHBondContact O-CB 3.4Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.47Å; L98-L102 PolarHBondContact O-N 3.48Å; Y100-L102 PolarHBondContact O-N 2.81Å; L102-L104 VanDerWaalsContact C-N 3.28Å; L102-L104 PolarHBondContact O-N 3.44Å; L102-N105 PolarHBondContact O-N 3.22Å; L102-L106 VanDerWaalsContact O-CB 3.23Å; L102-L106 WeakPolarHBondContact O-CB 3.39Å; L102-L106 WeakPolarHBondContact O-CD1 3.37Å; L102-L106 WeakPolarHBondContact O-CG 3.42Å; L102-L106 PolarHBondContact O-N 2.73Å
103S51.5Low54.6Low22 Ų2258 Ų5815%0.15429%0.292CS..Hα-helixtrans-62.6-35-179.656.30000112.6E99 Y100 L107E99-S103 VanDerWaalsContact O-CB 3.23Å; E99-S103 WeakPolarHBondContact O-CB 3.21Å; E99-S103 PolarHBondContact O-N 2.93Å; E99-S103 PolarHBondContact O-OG 3.38Å; Y100-S103 PolarHBondContact O-N 2.79Å; Y100-S103 PolarHBondContact O-OG 2.93Å; S103-L107 VanDerWaalsContact O-CB 3.28Å; S103-L107 WeakPolarHBondContact O-CB 3.22Å; S103-L107 WeakPolarHBondContact O-CD1 3.13Å; S103-L107 VanDerWaalsContact O-CG 3.24Å; S103-L107 WeakPolarHBondContact O-CG 3.37Å; S103-L107 PolarHBondContact O-N 2.9Å
104L49.8Very low53.6Low42 Ų4261.1 Ų61.122%0.2231%0.308CS..Hα-helixtrans-70.8-43.6177-165.174.7000112.2Y100 L102 N108Y100-L104 HydrophobicContact CE1-CD2 3.85Å; Y100-L104 HydrophobicContact CE2-CB 4.25Å; Y100-L104 HydrophobicContact CE2-CD1 4.04Å; Y100-L104 WeakPolarHBondContact O-CB 3.39Å; Y100-L104 PolarHBondContact O-N 3.01Å; Y100-L104 WeakPolarHBondContact OH-CD1 3.3Å; Y100-L104 WeakPolarHBondContact OH-CD2 3.36Å; L102-L104 VanDerWaalsContact C-N 3.28Å; L102-L104 PolarHBondContact O-N 3.44Å; L104-N108 VanDerWaalsContact CD1-ND2 3.29Å; L104-N108 WeakPolarHBondContact CD1-ND2 3.44Å; L104-N108 WeakPolarHBondContact O-CB 3.39Å; L104-N108 PolarHBondContact O-N 3.03Å
105N52.6Low52.7Low37 Ų3767.5 Ų67.520%0.19834%0.338CS..Hα-helixtrans-70.2-33.9174.5-83.2-26.4000112.1I60 D101 L102 K109I60-N105 VanDerWaalsContact CG2-ND2 3.28Å; I60-N105 WeakPolarHBondContact CG2-ND2 3.26Å; I60-N105 PolarHBondContact O-ND2 3.06Å; D101-N105 VanDerWaalsContact O-CB 3.31Å; D101-N105 WeakPolarHBondContact O-CB 3.41Å; D101-N105 PolarHBondContact O-N 3.29Å; L102-N105 PolarHBondContact O-N 3.22Å; N105-K109 WeakPolarHBondContact O-CB 3.33Å; N105-K109 PolarHBondContact O-N 3.21Å; N105-K109 WeakPolarHBondContact OD1-CD 3.31Å; N105-K109 PolarHBondContact OD1-NZ 3.19Å
106L49.2Very low51.8Low36 Ų3672 Ų7219%0.18836%0.355CS..Hα-helixtrans-65.4-39.8173.7-74.3167000112.1L102 I113 I121L102-L106 VanDerWaalsContact O-CB 3.23Å; L102-L106 WeakPolarHBondContact O-CB 3.39Å; L102-L106 WeakPolarHBondContact O-CD1 3.37Å; L102-L106 WeakPolarHBondContact O-CG 3.42Å; L102-L106 PolarHBondContact O-N 2.73Å; L106-I113 HydrophobicContact CD2-CD1 3.83Å; L106-I113 HydrophobicContact CD2-CG1 3.94Å; L106-I121 HydrophobicContact CD1-CD1 4.05Å; L106-I121 HydrophobicContact CD2-CD1 4.44Å
107L45.3Very low51.1Low99 Ų9969 Ų6952%0.51834%0.343SS..Hα-helixtrans-77.6-38.6177.6-74.2166.6000113S103S103-L107 VanDerWaalsContact O-CB 3.28Å; S103-L107 WeakPolarHBondContact O-CB 3.22Å; S103-L107 WeakPolarHBondContact O-CD1 3.13Å; S103-L107 VanDerWaalsContact O-CG 3.24Å; S103-L107 WeakPolarHBondContact O-CG 3.37Å; S103-L107 PolarHBondContact O-N 2.9Å
108N46.6Very low50.6Low110 Ų11069.7 Ų69.759%0.58834%0.344SS*.Hα-helixtrans-103.4-10.3-168.1-65.3-15.4000115.7L104L104-N108 VanDerWaalsContact CD1-ND2 3.29Å; L104-N108 WeakPolarHBondContact CD1-ND2 3.44Å; L104-N108 WeakPolarHBondContact O-CB 3.39Å; L104-N108 PolarHBondContact O-N 3.03Å
109K46.1Very low50.1Low111 Ų11175.6 Ų75.648%0.48337%0.367SS..THydrogen-bonded Turntrans-137.1-11.1-167.2-69.1-166.8-171.2164.30119.6N64 N105N64-K109 PolarHBondContact OD1-NZ 3.04Å; N105-K109 WeakPolarHBondContact O-CB 3.33Å; N105-K109 PolarHBondContact O-N 3.21Å; N105-K109 WeakPolarHBondContact OD1-CD 3.31Å; N105-K109 PolarHBondContact OD1-NZ 3.19Å
110Q43.5Very low49.8Very low104 Ų10473.7 Ų73.749%0.48636%0.36SS..  trans-132.4101-174.8-71.5-168.5-21.800115.6L112Q110-L112 PolarHBondContact O-N 3.48Å
111L41.5Very low49.7Very low176 Ų17672.7 Ų72.792%0.92136%0.358SS*.SBendtrans-60.8-14.2158.6-89.7156.7000113.4
112L44.9Very low49.6Very low147 Ų14773.8 Ų73.877%0.7736%0.363SS*.  trans-129.577.2-178.5-74.6166000110.3Q110 N114Q110-L112 PolarHBondContact O-N 3.48Å; L112-N114 PolarHBondContact O-N 3.16Å
113I48.8Very low49.5Very low44 Ų4473.9 Ų73.923%0.22636%0.364CS..  trans-64.2105.8161.2-57.4173.6000106.6L106 T117 W118 I142L106-I113 HydrophobicContact CD2-CD1 3.83Å; L106-I113 HydrophobicContact CD2-CG1 3.94Å; I113-T117 HydrophobicContact CG2-CG2 4.29Å; I113-W118 HydrophobicContact CD1-CZ3 4.44Å; I113-W118 HydrophobicContact CG2-CB 4.34Å; I113-W118 HydrophobicContact CG2-CE3 4.2Å; I113-I142 HydrophobicContact CD1-CD1 4.39Å
114N48Very low49.5Very low74 Ų7474.6 Ų74.640%0.39636%0.364SS..  trans-66.3155.4179.179.846.9000111L112 Y116 T117 W118L112-N114 PolarHBondContact O-N 3.16Å; N114-Y116 PolarHBondContact O-N 3.22Å; N114-Y116 WeakPolarHBondContact OD1-CA 3.49Å; N114-Y116 VanDerWaalsContact OD1-CB 3.3Å; N114-Y116 WeakPolarHBondContact OD1-CB 3.36Å; N114-Y116 PolarHBondContact OD1-N 2.71Å; N114-T117 PolarHBondContact O-N 3.31Å; N114-T117 PolarHBondContact OD1-N 2.97Å; N114-T117 PolarHBondContact OD1-OG1 2.82Å; N114-W118 PolarHBondContact O-N 3.07Å; N114-W118 VanDerWaalsContact O-N 3.16Å
115Q50.7Low49.7Very low135 Ų13573 Ų7363%0.63136%0.356SS*.Hα-helixtrans-61.3-29.7-173-166.6-179.6-13.500112.8W118 Y119Q115-W118 PolarHBondContact O-N 2.8Å; Q115-Y119 HydrophobicContact CG-CD2 4.03Å; Q115-Y119 HydrophobicContact CG-CE2 3.58Å; Q115-Y119 PolarHBondContact NE2-OH 2.9Å; Q115-Y119 VanDerWaalsContact NE2-OH 3.12Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.5Å; Q115-Y119 PolarHBondContact O-N 3.32Å
116Y47.4Very low49.8Very low108 Ų10874.7 Ų74.742%0.42436%0.364SS..Hα-helixtrans-68.8-45.6177.6-165.5-84.5000111.7I74 N78 N114 W118 Y119 C120I74-Y116 HydrophobicContact CG2-CD1 3.84Å; I74-Y116 HydrophobicContact CG2-CE1 3.95Å; N78-Y116 HydrophobicContact CB-CE1 4.19Å; N78-Y116 PolarHBondContact ND2-OH 3.13Å; N114-Y116 PolarHBondContact O-N 3.22Å; N114-Y116 WeakPolarHBondContact OD1-CA 3.49Å; N114-Y116 VanDerWaalsContact OD1-CB 3.3Å; N114-Y116 WeakPolarHBondContact OD1-CB 3.36Å; N114-Y116 PolarHBondContact OD1-N 2.71Å; Y116-W118 VanDerWaalsContact C-N 3.28Å; Y116-W118 PolarHBondContact O-N 3.07Å; Y116-Y119 PolarHBondContact O-N 2.79Å; Y116-C120 PolarHBondContact O-N 2.81Å; Y116-C120 PolarHBondContact O-SG 3.46Å
117T50.1Low49.9Very low17 Ų1777.2 Ų77.210%0.10438%0.377CS..Hα-helixtrans-60.2-39.5174-53.80000111.2I113 N114 C120 I121I113-T117 HydrophobicContact CG2-CG2 4.29Å; N114-T117 PolarHBondContact O-N 3.31Å; N114-T117 PolarHBondContact OD1-N 2.97Å; N114-T117 PolarHBondContact OD1-OG1 2.82Å; T117-C120 WeakPolarHBondContact O-CB 3.42Å; T117-C120 PolarHBondContact O-N 3.39Å; T117-I121 HydrophobicContact CG2-CD1 4.29Å; T117-I121 WeakPolarHBondContact O-CG1 3.36Å; T117-I121 PolarHBondContact O-N 2.86Å; T117-I121 VanDerWaalsContact O-N 3.08Å
118W53.6Low50.1Low25 Ų2573 Ų7310%0.09536%0.356CS..Hα-helixtrans-65.7-43.1176-166.7-110.9000112.5I113 N114 Q115 Y116 C120 I121 N122 L139 I142I113-W118 HydrophobicContact CD1-CZ3 4.44Å; I113-W118 HydrophobicContact CG2-CB 4.34Å; I113-W118 HydrophobicContact CG2-CE3 4.2Å; N114-W118 PolarHBondContact O-N 3.07Å; N114-W118 VanDerWaalsContact O-N 3.16Å; Q115-W118 PolarHBondContact O-N 2.8Å; Y116-W118 VanDerWaalsContact C-N 3.28Å; Y116-W118 PolarHBondContact O-N 3.07Å; W118-C120 VanDerWaalsContact C-N 3.31Å; W118-C120 PolarHBondContact O-N 3.36Å; W118-I121 PolarHBondContact O-N 2.74Å; W118-N122 VanDerWaalsContact CD1-ND2 3.3Å; W118-N122 PolarHBondContact NE1-ND2 3.11Å; W118-N122 PolarHBondContact O-N 3.41Å; W118-N122 PolarHBondContact O-ND2 2.87Å; W118-L139 HydrophobicContact CH2-CD2 3.29Å; W118-L139 HydrophobicContact CZ2-CD2 4.07Å; W118-L139 HydrophobicContact CZ3-CD2 3.57Å; W118-I142 HydrophobicContact CH2-CG2 4.32Å; W118-I142 HydrophobicContact CZ3-CG2 4.4Å
119Y55.3Low50.2Low125 Ų12573.1 Ų73.149%0.4936%0.356SS..Hα-helixtrans-60.8-38.3171.5-77.3-55.7000112.5Q115 Y116 I121 N122 N123Q115-Y119 HydrophobicContact CG-CD2 4.03Å; Q115-Y119 HydrophobicContact CG-CE2 3.58Å; Q115-Y119 PolarHBondContact NE2-OH 2.9Å; Q115-Y119 VanDerWaalsContact NE2-OH 3.12Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.5Å; Q115-Y119 PolarHBondContact O-N 3.32Å; Y116-Y119 PolarHBondContact O-N 2.79Å; Y119-I121 PolarHBondContact O-N 3.25Å; Y119-N122 PolarHBondContact O-N 3.32Å; Y119-N123 WeakPolarHBondContact O-CB 3.47Å; Y119-N123 PolarHBondContact O-N 2.79Å; Y119-N123 PolarHBondContact O-ND2 2.88Å
120C51.4Low50.1Low15 Ų1574 Ų7410%0.10137%0.366CS..Hα-helixtrans-62.3-41.8175.9-64.80000112Y116 T117 W118 Y124Y116-C120 PolarHBondContact O-N 2.81Å; Y116-C120 PolarHBondContact O-SG 3.46Å; T117-C120 WeakPolarHBondContact O-CB 3.42Å; T117-C120 PolarHBondContact O-N 3.39Å; W118-C120 VanDerWaalsContact C-N 3.31Å; W118-C120 PolarHBondContact O-N 3.36Å; C120-Y124 WeakPolarHBondContact O-CB 3.19Å; C120-Y124 PolarHBondContact O-N 2.94Å
121I54.4Low50.4Low31 Ų3175.9 Ų75.916%0.15938%0.38CS..Hα-helixtrans-67.5-45177.2-66.7164.7000111.1L106 T117 W118 Y119 Y124 I125 L135L106-I121 HydrophobicContact CD1-CD1 4.05Å; L106-I121 HydrophobicContact CD2-CD1 4.44Å; T117-I121 HydrophobicContact CG2-CD1 4.29Å; T117-I121 WeakPolarHBondContact O-CG1 3.36Å; T117-I121 PolarHBondContact O-N 2.86Å; T117-I121 VanDerWaalsContact O-N 3.08Å; W118-I121 PolarHBondContact O-N 2.74Å; Y119-I121 PolarHBondContact O-N 3.25Å; I121-Y124 WeakPolarHBondContact O-CB 3.33Å; I121-Y124 PolarHBondContact O-N 3.14Å; I121-I125 HydrophobicContact CG2-CD1 3.98Å; I121-I125 WeakPolarHBondContact O-CG1 3.34Å; I121-I125 PolarHBondContact O-N 2.61Å; I121-L135 HydrophobicContact CG2-CD2 4.48Å
122N55Low51Low35 Ų3568.1 Ų68.119%0.18734%0.339CS..Hα-helixtrans-66-45.7178.9-68.8-22.6000111.6W118 Y119 Y124 I125 I126W118-N122 VanDerWaalsContact CD1-ND2 3.3Å; W118-N122 PolarHBondContact NE1-ND2 3.11Å; W118-N122 PolarHBondContact O-N 3.41Å; W118-N122 PolarHBondContact O-ND2 2.87Å; Y119-N122 PolarHBondContact O-N 3.32Å; N122-Y124 PolarHBondContact O-N 3.27Å; N122-I125 PolarHBondContact O-N 2.95Å; N122-I126 WeakPolarHBondContact O-CB 3.22Å; N122-I126 WeakPolarHBondContact O-CD1 3.25Å; N122-I126 WeakPolarHBondContact O-CG1 2.99Å; N122-I126 PolarHBondContact O-N 2.98Å
123N54.3Low51.2Low59 Ų5963.2 Ų63.232%0.31632%0.319SS..Hα-helixtrans-59.9-35.7173.7-73.1-12.6000111.7Y119 N127Y119-N123 WeakPolarHBondContact O-CB 3.47Å; Y119-N123 PolarHBondContact O-N 2.79Å; Y119-N123 PolarHBondContact O-ND2 2.88Å; N123-N127 WeakPolarHBondContact O-CB 3.42Å; N123-N127 PolarHBondContact O-N 3.42Å; N123-N127 PolarHBondContact O-ND2 3.48Å
124Y51.2Low51.2Low36 Ų3665.1 Ų65.114%0.14133%0.33CS..Hα-helixtrans-65-47.8173.9175.6-110.3000112.2I81 I95 C120 I121 N122 I126 N127 N128 L135I81-Y124 HydrophobicContact CD1-CD2 4.45Å; I81-Y124 HydrophobicContact CG2-CD2 4.36Å; I95-Y124 HydrophobicContact CB-CD2 4.47Å; I95-Y124 HydrophobicContact CB-CE1 4.29Å; I95-Y124 HydrophobicContact CB-CE2 3.79Å; I95-Y124 HydrophobicContact CD1-CD2 3.55Å; I95-Y124 HydrophobicContact CD1-CE2 3.27Å; I95-Y124 HydrophobicContact CG1-CD2 3.61Å; I95-Y124 HydrophobicContact CG1-CE1 4.32Å; I95-Y124 HydrophobicContact CG1-CE2 3.37Å; I95-Y124 HydrophobicContact CG1-CG 4.18Å; I95-Y124 HydrophobicContact CG2-CD1 4.34Å; I95-Y124 HydrophobicContact CG2-CE1 3.72Å; I95-Y124 HydrophobicContact CG2-CE2 4.15Å; C120-Y124 WeakPolarHBondContact O-CB 3.19Å; C120-Y124 PolarHBondContact O-N 2.94Å; I121-Y124 WeakPolarHBondContact O-CB 3.33Å; I121-Y124 PolarHBondContact O-N 3.14Å; N122-Y124 PolarHBondContact O-N 3.27Å; Y124-I126 PolarHBondContact O-N 3.41Å; Y124-N127 PolarHBondContact O-N 2.87Å; Y124-N128 HydrophobicContact CE2-CB 4.04Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.42Å; Y124-N128 VanDerWaalsContact CZ-ND2 3.26Å; Y124-N128 WeakPolarHBondContact O-CB 3.27Å; Y124-N128 PolarHBondContact O-N 3.02Å; Y124-N128 VanDerWaalsContact O-N 3.16Å; Y124-N128 PolarHBondContact OH-ND2 3.06Å; Y124-L135 HydrophobicContact CD1-CD1 3.83Å; Y124-L135 HydrophobicContact CE1-CD1 3.59Å
125I54Low51.4Low10 Ų1063.6 Ų63.65%0.05132%0.321CS..Hα-helixtrans-59.1-48.6178.2-71.3164.6000110.9I121 N122 N127 N128 I132 L135 L139 Y170I121-I125 HydrophobicContact CG2-CD1 3.98Å; I121-I125 WeakPolarHBondContact O-CG1 3.34Å; I121-I125 PolarHBondContact O-N 2.61Å; N122-I125 PolarHBondContact O-N 2.95Å; I125-N127 PolarHBondContact O-N 3.47Å; I125-N128 PolarHBondContact O-N 2.68Å; I125-I132 HydrophobicContact CG1-CG2 4.3Å; I125-I132 HydrophobicContact CG2-CG2 3.89Å; I125-L135 HydrophobicContact CD1-CB 4.26Å; I125-L135 HydrophobicContact CG1-CB 4.44Å; I125-L135 HydrophobicContact CG1-CD1 4.12Å; I125-L139 HydrophobicContact CD1-CD1 3.37Å; I125-Y170 HydrophobicContact CG2-CE2 4.02Å; I125-Y170 PolarHBondContact O-OH 3.37Å
126I53.8Low51.5Low71 Ų7157.5 Ų57.536%0.36429%0.293SS..Hα-helixtrans-56-35.7178-69.1165.3000112.1N122 Y124 Y162N122-I126 WeakPolarHBondContact O-CB 3.22Å; N122-I126 WeakPolarHBondContact O-CD1 3.25Å; N122-I126 WeakPolarHBondContact O-CG1 2.99Å; N122-I126 PolarHBondContact O-N 2.98Å; Y124-I126 PolarHBondContact O-N 3.41Å; I126-Y162 HydrophobicContact CD1-CE1 4.44Å; I126-Y162 WeakPolarHBondContact CD1-OH 3.44Å; I126-Y162 HydrophobicContact CG1-CE1 4.48Å; I126-Y162 WeakPolarHBondContact CG1-OH 3.24Å
127N51.3Low51.8Low89 Ų8959 Ų5948%0.47630%0.298SS..Hα-helixtrans-89.6-10-177.1-77.9-74.7000114.8N123 Y124 I125N123-N127 WeakPolarHBondContact O-CB 3.42Å; N123-N127 PolarHBondContact O-N 3.42Å; N123-N127 PolarHBondContact O-ND2 3.48Å; Y124-N127 PolarHBondContact O-N 2.87Å; I125-N127 PolarHBondContact O-N 3.47Å
128N50.5Low51.8Low11 Ų1160 Ų606%0.05930%0.302CS..  trans-12392.9-171.2-102.718.8000114.9N92 Y124 I125 N130 I132N92-N128 PolarHBondContact OD1-ND2 3.47Å; N92-N128 PolarHBondContact OD1-OD1 2.85Å; N92-N128 VanDerWaalsContact OD1-OD1 3.11Å; Y124-N128 HydrophobicContact CE2-CB 4.04Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.42Å; Y124-N128 VanDerWaalsContact CZ-ND2 3.26Å; Y124-N128 WeakPolarHBondContact O-CB 3.27Å; Y124-N128 PolarHBondContact O-N 3.02Å; Y124-N128 VanDerWaalsContact O-N 3.16Å; Y124-N128 PolarHBondContact OH-ND2 3.06Å; I125-N128 PolarHBondContact O-N 2.68Å; N128-N130 PolarHBondContact O-N 3.39Å; N128-I132 WeakPolarHBondContact O-CD1 3.48Å; N128-I132 WeakPolarHBondContact O-CG1 3.33Å
129N48Very low51.9Low113 Ų11359 Ų5960%0.60430%0.299SS*.  trans-70.19.9-179.2-66.8-6.2000116.4
130N44.1Very low51.8Low128 Ų12854.9 Ų54.968%0.68429%0.285SS*.SBendtrans-135.9134.4-178.7-74.3-62.1000112.1N128N128-N130 PolarHBondContact O-N 3.39Å
131N49.9Very low51.9Low145 Ų14561.4 Ų61.478%0.77531%0.308SS*.SBendtrans70.328177.1-119.833000117.8A133N131-A133 VanDerWaalsContact C-N 3.28Å; N131-A133 PolarHBondContact O-N 3.5Å
132I53.7Low51.8Low12 Ų1261.3 Ų61.36%0.06231%0.308CS..THydrogen-bonded Turntrans-70.8-18.3-176.2-40.282.1000113.5I125 N128 L134 L135 I136 Y170I125-I132 HydrophobicContact CG1-CG2 4.3Å; I125-I132 HydrophobicContact CG2-CG2 3.89Å; N128-I132 WeakPolarHBondContact O-CD1 3.48Å; N128-I132 WeakPolarHBondContact O-CG1 3.33Å; I132-L134 VanDerWaalsContact C-N 3.26Å; I132-L134 PolarHBondContact O-N 2.89Å; I132-L134 VanDerWaalsContact O-N 3.09Å; I132-L135 PolarHBondContact O-N 3.47Å; I132-I136 HydrophobicContact CB-CD1 3.96Å; I132-I136 HydrophobicContact CG2-CD1 3.73Å; I132-I136 HydrophobicContact CG2-CG1 3.94Å; I132-I136 PolarHBondContact O-N 3.26Å; I132-Y170 HydrophobicContact CB-CD1 4.31Å; I132-Y170 HydrophobicContact CB-CD2 4.15Å; I132-Y170 HydrophobicContact CB-CE2 4.34Å; I132-Y170 HydrophobicContact CB-CG 4.1Å; I132-Y170 HydrophobicContact CD1-CD1 3.18Å; I132-Y170 HydrophobicContact CD1-CE1 3.48Å; I132-Y170 VanDerWaalsContact CD1-CE1 3.48Å; I132-Y170 HydrophobicContact CD1-CG 3.77Å; I132-Y170 HydrophobicContact CG1-CD1 3.67Å; I132-Y170 HydrophobicContact CG1-CD2 4.26Å; I132-Y170 HydrophobicContact CG1-CE1 3.61Å; I132-Y170 HydrophobicContact CG1-CE2 4.2Å; I132-Y170 HydrophobicContact CG1-CG 3.99Å; I132-Y170 HydrophobicContact CG2-CD2 4.06Å; I132-Y170 HydrophobicContact CG2-CE2 3.92Å
133A49.3Very low51.7Low44 Ų4459.7 Ų59.736%0.36430%0.299SS..Hα-helixtrans-54.8-33.6-173.700000114.7N131 R137N131-A133 VanDerWaalsContact C-N 3.28Å; N131-A133 PolarHBondContact O-N 3.5Å; A133-R137 WeakPolarHBondContact O-CD 3.45Å; A133-R137 WeakPolarHBondContact O-CG 3.26Å; A133-R137 PolarHBondContact O-N 2.71Å
134L50Low51.7Low84 Ų8459.8 Ų59.844%0.4430%0.299SS..Hα-helixtrans-71.9-41.3177.3-155.481000112E99 I132 R137 I138E99-L134 WeakPolarHBondContact OE1-CD2 3.32Å; I132-L134 VanDerWaalsContact C-N 3.26Å; I132-L134 PolarHBondContact O-N 2.89Å; I132-L134 VanDerWaalsContact O-N 3.09Å; L134-R137 PolarHBondContact O-N 3.47Å; L134-I138 WeakPolarHBondContact O-CG1 3.45Å; L134-I138 PolarHBondContact O-N 3.37Å
135L51.2Low51.6Low42 Ų4264 Ų6422%0.2232%0.316CS..Hα-helixtrans-66-39.5175.3-80.9161.2000111.6I121 Y124 I125 I132 R137 I138 L139I121-L135 HydrophobicContact CG2-CD2 4.48Å; Y124-L135 HydrophobicContact CD1-CD1 3.83Å; Y124-L135 HydrophobicContact CE1-CD1 3.59Å; I125-L135 HydrophobicContact CD1-CB 4.26Å; I125-L135 HydrophobicContact CG1-CB 4.44Å; I125-L135 HydrophobicContact CG1-CD1 4.12Å; I132-L135 PolarHBondContact O-N 3.47Å; L135-R137 VanDerWaalsContact C-N 3.34Å; L135-R137 PolarHBondContact O-N 2.72Å; L135-I138 PolarHBondContact O-N 2.92Å; L135-L139 WeakPolarHBondContact O-CB 3.21Å; L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 2.94Å
136I53.6Low51.5Low7 Ų766.7 Ų66.74%0.03633%0.327CS..Hα-helixtrans-62.3-41.8173.7-69.4157.4000110.9I132 L139 I140 L163 Y170 I172I132-I136 HydrophobicContact CB-CD1 3.96Å; I132-I136 HydrophobicContact CG2-CD1 3.73Å; I132-I136 HydrophobicContact CG2-CG1 3.94Å; I132-I136 PolarHBondContact O-N 3.26Å; I136-L139 PolarHBondContact O-N 3.27Å; I136-I140 HydrophobicContact CG2-CD1 3.59Å; I136-I140 HydrophobicContact CG2-CG1 4.21Å; I136-I140 WeakPolarHBondContact O-CB 3.49Å; I136-I140 VanDerWaalsContact O-CG1 3.27Å; I136-I140 WeakPolarHBondContact O-CG1 3.39Å; I136-I140 PolarHBondContact O-N 3.28Å; I136-L163 HydrophobicContact CG1-CD2 4.33Å; I136-Y170 HydrophobicContact CD1-CD2 3.77Å; I136-Y170 HydrophobicContact CD1-CG 4.34Å; I136-I172 HydrophobicContact CD1-CD1 4.17Å; I136-I172 HydrophobicContact CG2-CD1 3.82Å
137R52.6Low51.4Low141 Ų14164.7 Ų64.753%0.53232%0.316SS..Hα-helixtrans-63.1-43.4175.4-71.8164.4-172.6-1743.1112.2A133 L134 L135 Y141 E176A133-R137 WeakPolarHBondContact O-CD 3.45Å; A133-R137 WeakPolarHBondContact O-CG 3.26Å; A133-R137 PolarHBondContact O-N 2.71Å; L134-R137 PolarHBondContact O-N 3.47Å; L135-R137 VanDerWaalsContact C-N 3.34Å; L135-R137 PolarHBondContact O-N 2.72Å; R137-Y141 VanDerWaalsContact O-CB 3.31Å; R137-Y141 WeakPolarHBondContact O-CB 3.1Å; R137-Y141 PolarHBondContact O-N 2.83Å; R137-E176 IonicContact CZ-OE1 2.61Å; R137-E176 IonicContact NE-OE1 2.78Å; R137-E176 PolarHBondContact NE-OE1 3.15Å; R137-E176 IonicContact NH2-OE1 3.6Å; R137-E176 PolarHBondContact NH2-OE1 2.97Å
138I51.5Low51.2Low37 Ų3764.4 Ų64.419%0.1931%0.314CS..Hα-helixtrans-63.6-42.5175.4-68.7166.3000110.8L134 L135 Y141 I142L134-I138 WeakPolarHBondContact O-CG1 3.45Å; L134-I138 PolarHBondContact O-N 3.37Å; L135-I138 PolarHBondContact O-N 2.92Å; I138-Y141 PolarHBondContact O-N 3.46Å; I138-I142 HydrophobicContact CG2-CD1 3.7Å; I138-I142 HydrophobicContact CG2-CG1 4.46Å; I138-I142 WeakPolarHBondContact O-CB 3.05Å; I138-I142 VanDerWaalsContact O-CG1 3.28Å; I138-I142 WeakPolarHBondContact O-CG1 3.46Å; I138-I142 PolarHBondContact O-N 3.44Å
139L53.9Low51Low4 Ų470 Ų702%0.02134%0.34CS..Hα-helixtrans-69.6-43.6179.5-74.3168000113W118 I125 L135 I136 Y141 I142 I143 L163W118-L139 HydrophobicContact CH2-CD2 3.29Å; W118-L139 HydrophobicContact CZ2-CD2 4.07Å; W118-L139 HydrophobicContact CZ3-CD2 3.57Å; I125-L139 HydrophobicContact CD1-CD1 3.37Å; L135-L139 WeakPolarHBondContact O-CB 3.21Å; L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 2.94Å; I136-L139 PolarHBondContact O-N 3.27Å; L139-Y141 VanDerWaalsContact C-N 3.28Å; L139-Y141 PolarHBondContact O-N 3.02Å; L139-I142 PolarHBondContact O-N 3.41Å; L139-I143 WeakPolarHBondContact O-CB 3.49Å; L139-I143 WeakPolarHBondContact O-CD1 3.12Å; L139-I143 VanDerWaalsContact O-CG1 3.22Å; L139-I143 WeakPolarHBondContact O-CG1 3.29Å; L139-I143 PolarHBondContact O-N 3.5Å; L139-L163 HydrophobicContact CB-CD1 3.97Å; L139-L163 HydrophobicContact CD1-CD1 4.22Å; L139-L163 HydrophobicContact CD1-CD2 4.09Å
140I54.5Low50.9Low38 Ų3866.9 Ų66.920%0.19533%0.327CS..Hα-helixtrans-59.4-42.8173.3-71.6171.4000109.9I136 I143 I144 I180I136-I140 HydrophobicContact CG2-CD1 3.59Å; I136-I140 HydrophobicContact CG2-CG1 4.21Å; I136-I140 WeakPolarHBondContact O-CB 3.49Å; I136-I140 VanDerWaalsContact O-CG1 3.27Å; I136-I140 WeakPolarHBondContact O-CG1 3.39Å; I136-I140 PolarHBondContact O-N 3.28Å; I140-I143 PolarHBondContact O-N 2.84Å; I140-I144 HydrophobicContact CG2-CD1 3.71Å; I140-I144 HydrophobicContact CG2-CG1 4.45Å; I140-I144 WeakPolarHBondContact O-CB 3.37Å; I140-I144 VanDerWaalsContact O-CG1 3.25Å; I140-I144 WeakPolarHBondContact O-CG1 3.32Å; I140-I144 PolarHBondContact O-N 3.49Å; I140-I180 HydrophobicContact CD1-CD1 3.89Å
141Y52.3Low51Low153 Ų15369.1 Ų69.160%0.634%0.337SS*.Hα-helixtrans-63.9-45.7176.7-169.2-101000112.4R137 I138 L139 I143 I144 Y145R137-Y141 VanDerWaalsContact O-CB 3.31Å; R137-Y141 WeakPolarHBondContact O-CB 3.1Å; R137-Y141 PolarHBondContact O-N 2.83Å; I138-Y141 PolarHBondContact O-N 3.46Å; L139-Y141 VanDerWaalsContact C-N 3.28Å; L139-Y141 PolarHBondContact O-N 3.02Å; Y141-I143 PolarHBondContact O-N 2.7Å; Y141-I144 PolarHBondContact O-N 2.96Å; Y141-Y145 VanDerWaalsContact O-CB 3.3Å; Y141-Y145 WeakPolarHBondContact O-CB 3.23Å; Y141-Y145 PolarHBondContact O-N 3.26Å
142I52.5Low50.9Low28 Ų2869.9 Ų69.914%0.14433%0.333CS..Hα-helixtrans-63.1-40.2176.1-72.7168.6000111.7I113 W118 I138 L139 Y145 K146I113-I142 HydrophobicContact CD1-CD1 4.39Å; W118-I142 HydrophobicContact CH2-CG2 4.32Å; W118-I142 HydrophobicContact CZ3-CG2 4.4Å; I138-I142 HydrophobicContact CG2-CD1 3.7Å; I138-I142 HydrophobicContact CG2-CG1 4.46Å; I138-I142 WeakPolarHBondContact O-CB 3.05Å; I138-I142 VanDerWaalsContact O-CG1 3.28Å; I138-I142 WeakPolarHBondContact O-CG1 3.46Å; I138-I142 PolarHBondContact O-N 3.44Å; L139-I142 PolarHBondContact O-N 3.41Å; I142-Y145 PolarHBondContact O-N 2.9Å; I142-K146 HydrophobicContact CG2-CD 4.24Å; I142-K146 HydrophobicContact CG2-CG 4.47Å; I142-K146 WeakPolarHBondContact O-CB 3.43Å; I142-K146 WeakPolarHBondContact O-CG 3.42Å; I142-K146 PolarHBondContact O-N 3.06Å
143I54.5Low50.7Low1 Ų171.4 Ų71.41%0.00534%0.339CS..Hα-helixtrans-70.6-43.7-179.9-68164.3000110.6L139 I140 Y141 Y145 K146 I147 L160 L163L139-I143 WeakPolarHBondContact O-CB 3.49Å; L139-I143 WeakPolarHBondContact O-CD1 3.12Å; L139-I143 VanDerWaalsContact O-CG1 3.22Å; L139-I143 WeakPolarHBondContact O-CG1 3.29Å; L139-I143 PolarHBondContact O-N 3.5Å; I140-I143 PolarHBondContact O-N 2.84Å; Y141-I143 PolarHBondContact O-N 2.7Å; I143-Y145 VanDerWaalsContact C-N 3.32Å; I143-Y145 PolarHBondContact O-N 3.06Å; I143-K146 PolarHBondContact O-N 2.98Å; I143-I147 HydrophobicContact CG2-CD1 3.69Å; I143-I147 HydrophobicContact CG2-CG1 4.43Å; I143-I147 WeakPolarHBondContact O-CB 3.36Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.46Å; I143-I147 PolarHBondContact O-N 2.78Å; I143-L160 HydrophobicContact CB-CD1 4.45Å; I143-L160 HydrophobicContact CD1-CD1 4.22Å; I143-L160 HydrophobicContact CG2-CD1 3.75Å; I143-L163 HydrophobicContact CD1-CD1 3.55Å
144I53.5Low50.6Low62 Ų6275.2 Ų75.232%0.31835%0.353SS..Hα-helixtrans-57.7-46.4172.2-70.6168.7000110.2I140 Y141 K146 I147 I148I140-I144 HydrophobicContact CG2-CD1 3.71Å; I140-I144 HydrophobicContact CG2-CG1 4.45Å; I140-I144 WeakPolarHBondContact O-CB 3.37Å; I140-I144 VanDerWaalsContact O-CG1 3.25Å; I140-I144 WeakPolarHBondContact O-CG1 3.32Å; I140-I144 PolarHBondContact O-N 3.49Å; Y141-I144 PolarHBondContact O-N 2.96Å; I144-K146 PolarHBondContact O-N 3.22Å; I144-I147 PolarHBondContact O-N 3.35Å; I144-I148 HydrophobicContact CG2-CD1 3.84Å; I144-I148 VanDerWaalsContact O-CG1 3.29Å; I144-I148 WeakPolarHBondContact O-CG1 3.29Å; I144-I148 PolarHBondContact O-N 3.21Å
145Y48.6Very low50.6Low125 Ų12576.5 Ų76.549%0.4936%0.359SS..Hα-helixtrans-63.5-40178.5-171-95.9000113.2Y141 I142 I143 I148 H149Y141-Y145 VanDerWaalsContact O-CB 3.3Å; Y141-Y145 WeakPolarHBondContact O-CB 3.23Å; Y141-Y145 PolarHBondContact O-N 3.26Å; I142-Y145 PolarHBondContact O-N 2.9Å; I143-Y145 VanDerWaalsContact C-N 3.32Å; I143-Y145 PolarHBondContact O-N 3.06Å; Y145-I148 PolarHBondContact O-N 3.1Å; Y145-H149 AromaticContact CE1-CD2 3.85Å; Y145-H149 AromaticContact CE2-CD2 3.7Å; Y145-H149 AromaticContact CE2-NE2 3.84Å; Y145-H149 AromaticContact CZ-CD2 3.56Å; Y145-H149 AromaticContact CZ-NE2 3.88Å; Y145-H149 PolarHBondContact O-N 3.22Å
146K52.2Low50.5Low65 Ų6575 Ų7528%0.28335%0.352SS..Hα-helixtrans-66-36.4174.5-82.2178.5165.8-171.40113.3I142 I143 I144 H149 S150 D156I142-K146 HydrophobicContact CG2-CD 4.24Å; I142-K146 HydrophobicContact CG2-CG 4.47Å; I142-K146 WeakPolarHBondContact O-CB 3.43Å; I142-K146 WeakPolarHBondContact O-CG 3.42Å; I142-K146 PolarHBondContact O-N 3.06Å; I143-K146 PolarHBondContact O-N 2.98Å; I144-K146 PolarHBondContact O-N 3.22Å; K146-H149 PolarHBondContact O-N 3.45Å; K146-S150 WeakPolarHBondContact O-CB 3.48Å; K146-S150 PolarHBondContact O-N 2.89Å; K146-S150 PolarHBondContact O-OG 3.38Å; K146-D156 IonicContact NZ-OD1 2.76Å; K146-D156 PolarHBondContact NZ-OD1 3.01Å
147I52.2Low50.3Low29 Ų2976.2 Ų76.215%0.14936%0.358CS..Hα-helixtrans-71.4-33.5177.5-69.8167.7000110.8I143 I144 H149 Y153 F199I143-I147 HydrophobicContact CG2-CD1 3.69Å; I143-I147 HydrophobicContact CG2-CG1 4.43Å; I143-I147 WeakPolarHBondContact O-CB 3.36Å; I143-I147 VanDerWaalsContact O-CG1 3.26Å; I143-I147 WeakPolarHBondContact O-CG1 3.46Å; I143-I147 PolarHBondContact O-N 2.78Å; I144-I147 PolarHBondContact O-N 3.35Å; I147-H149 VanDerWaalsContact C-N 3.31Å; I147-H149 PolarHBondContact O-N 2.65Å; I147-Y153 HydrophobicContact CG2-CE2 4.01Å; I147-F199 HydrophobicContact CD1-CD2 3.83Å; I147-F199 HydrophobicContact CD1-CE1 4.44Å; I147-F199 HydrophobicContact CD1-CE2 3.2Å; I147-F199 HydrophobicContact CD1-CZ 3.57Å
148I47Very low50.3Low83 Ų8375 Ų7543%0.42636%0.361SS..Hα-helixtrans-65.1-33.3171.5-69.9164.4000111.9I144 Y145I144-I148 HydrophobicContact CG2-CD1 3.84Å; I144-I148 VanDerWaalsContact O-CG1 3.29Å; I144-I148 WeakPolarHBondContact O-CG1 3.29Å; I144-I148 PolarHBondContact O-N 3.21Å; Y145-I148 PolarHBondContact O-N 3.1Å
149H45.5Very low50.3Low129 Ų12975.6 Ų75.660%0.59736%0.363SS*.Hα-helixtrans-115.7-2.9-168.4-78.9-61.8000117.4Y145 K146 I147Y145-H149 AromaticContact CE1-CD2 3.85Å; Y145-H149 AromaticContact CE2-CD2 3.7Å; Y145-H149 AromaticContact CE2-NE2 3.84Å; Y145-H149 AromaticContact CZ-CD2 3.56Å; Y145-H149 AromaticContact CZ-NE2 3.88Å; Y145-H149 PolarHBondContact O-N 3.22Å; K146-H149 PolarHBondContact O-N 3.45Å; I147-H149 VanDerWaalsContact C-N 3.31Å; I147-H149 PolarHBondContact O-N 2.65Å
150S46.9Very low50.3Low48 Ų4876 Ų7634%0.33637%0.365SS..  trans-139.7144.1-17380.80000115.9K146 K152K146-S150 WeakPolarHBondContact O-CB 3.48Å; K146-S150 PolarHBondContact O-N 2.89Å; K146-S150 PolarHBondContact O-OG 3.38Å; S150-K152 PolarHBondContact O-N 3.37Å
151I45.2Very low50.1Low175 Ų17577.3 Ų77.390%0.89737%0.373SS*.SBendtrans-76.9-4-174.4-63.7165.9000112.3Y153I151-Y153 PolarHBondContact O-N 3.41Å; I151-Y153 VanDerWaalsContact O-N 3.16Å
152K48.1Very low50.2Low161 Ų16175.2 Ų75.270%0.736%0.364SS*.  trans-9348.4-170-69.7-169.8173.9-177.80114.6S150 N154 L155S150-K152 PolarHBondContact O-N 3.37Å; K152-N154 PolarHBondContact O-N 2.94Å; K152-N154 VanDerWaalsContact O-N 3.13Å; K152-L155 PolarHBondContact O-N 2.9Å
153Y49.7Very low50.3Low44 Ų4475 Ų7517%0.17336%0.363CS..Hα-helixtrans-43.1-48-173.7-120.7-108.4000115.9I147 I151 L155 L157 N195I147-Y153 HydrophobicContact CG2-CE2 4.01Å; I151-Y153 PolarHBondContact O-N 3.41Å; I151-Y153 VanDerWaalsContact O-N 3.16Å; Y153-L155 PolarHBondContact O-N 3.18Å; Y153-L157 HydrophobicContact CD1-CD1 4Å; Y153-L157 WeakPolarHBondContact O-CB 3.06Å; Y153-L157 PolarHBondContact O-N 3.4Å; Y153-N195 HydrophobicContact CE1-CB 4.02Å; Y153-N195 WeakPolarHBondContact CE1-O 3.22Å; Y153-N195 HydrophobicContact CE2-CB 4.39Å; Y153-N195 VanDerWaalsContact OH-C 3.25Å; Y153-N195 PolarHBondContact OH-O 2.95Å
154N47.3Very low50.2Low123 Ų12375.5 Ų75.566%0.65837%0.366SS*.Hα-helixtrans-70.6-34.1-165.7-661.3000114.5K152 I158K152-N154 PolarHBondContact O-N 2.94Å; K152-N154 VanDerWaalsContact O-N 3.13Å; N154-I158 WeakPolarHBondContact O-CG1 3.22Å; N154-I158 PolarHBondContact O-N 3.35Å
155L50.4Low50Low111 Ų11176 Ų7658%0.58137%0.369SS*.Hα-helixtrans-74.3-41.1-176.9-92.5165.3000112K152 Y153 L157 I158 Q159K152-L155 PolarHBondContact O-N 2.9Å; Y153-L155 PolarHBondContact O-N 3.18Å; L155-L157 VanDerWaalsContact C-N 3.31Å; L155-I158 PolarHBondContact O-N 3.24Å; L155-Q159 WeakPolarHBondContact O-CG 3.29Å; L155-Q159 PolarHBondContact O-N 3.41Å; L155-Q159 PolarHBondContact O-NE2 2.93Å
156D49.8Very low50.1Low12 Ų1271.2 Ų71.26%0.06435%0.352CS..Hα-helixtrans-70.7-29.1175.6-68.3-40.9000110.9K146 Q159 L160K146-D156 IonicContact NZ-OD1 2.76Å; K146-D156 PolarHBondContact NZ-OD1 3.01Å; D156-Q159 PolarHBondContact O-N 3.39Å; D156-L160 WeakPolarHBondContact O-CB 3.48Å; D156-L160 PolarHBondContact O-N 2.85Å
157L49.1Very low50Low31 Ų3169.1 Ų69.116%0.16234%0.343CS..Hα-helixtrans-63-45.2171.4-107.1165.6000113.3Y153 L155 Q159 L160 N161 F199 N202Y153-L157 HydrophobicContact CD1-CD1 4Å; Y153-L157 WeakPolarHBondContact O-CB 3.06Å; Y153-L157 PolarHBondContact O-N 3.4Å; L155-L157 VanDerWaalsContact C-N 3.31Å; L157-Q159 VanDerWaalsContact C-N 3.28Å; L157-Q159 PolarHBondContact O-N 2.9Å; L157-L160 PolarHBondContact O-N 3.42Å; L157-N161 WeakPolarHBondContact O-CB 3.41Å; L157-N161 PolarHBondContact O-N 3.47Å; L157-F199 HydrophobicContact CD2-CD2 4.2Å; L157-F199 HydrophobicContact CG-CD2 4.44Å; L157-N202 HydrophobicContact CD2-CB 4.25Å
158I52.8Low49.8Very low115 Ų11569.4 Ų69.459%0.5935%0.348SS*.Hα-helixtrans-62.8-38.2176-67.6164.1000110.7N154 L155 N161 Y162N154-I158 WeakPolarHBondContact O-CG1 3.22Å; N154-I158 PolarHBondContact O-N 3.35Å; L155-I158 PolarHBondContact O-N 3.24Å; I158-N161 PolarHBondContact O-N 3.27Å; I158-Y162 PolarHBondContact O-N 3.19Å
159Q51Low49.8Very low50 Ų5069.9 Ų69.923%0.23435%0.35CS..Hα-helixtrans-75.4-33.3-180-69.8167.774.200112.7L155 D156 L157 L163L155-Q159 WeakPolarHBondContact O-CG 3.29Å; L155-Q159 PolarHBondContact O-N 3.41Å; L155-Q159 PolarHBondContact O-NE2 2.93Å; D156-Q159 PolarHBondContact O-N 3.39Å; L157-Q159 VanDerWaalsContact C-N 3.28Å; L157-Q159 PolarHBondContact O-N 2.9Å; Q159-L163 PolarHBondContact O-N 3.45Å
160L52.7Low50Low13 Ų1365 Ų657%0.06833%0.327CS..Hα-helixtrans-66.5-43169.2-171102000111.1I143 D156 L157 Y162 L163 I164 F199 I203I143-L160 HydrophobicContact CB-CD1 4.45Å; I143-L160 HydrophobicContact CD1-CD1 4.22Å; I143-L160 HydrophobicContact CG2-CD1 3.75Å; D156-L160 WeakPolarHBondContact O-CB 3.48Å; D156-L160 PolarHBondContact O-N 2.85Å; L157-L160 PolarHBondContact O-N 3.42Å; L160-Y162 VanDerWaalsContact C-N 3.33Å; L160-Y162 PolarHBondContact O-N 3.49Å; L160-L163 WeakPolarHBondContact O-CB 3.18Å; L160-L163 PolarHBondContact O-N 2.7Å; L160-I164 HydrophobicContact CD2-CD1 3.57Å; L160-I164 HydrophobicContact CG-CD1 3.78Å; L160-I164 HydrophobicContact CG-CG1 4.38Å; L160-I164 VanDerWaalsContact O-CG1 3.31Å; L160-I164 WeakPolarHBondContact O-CG1 3.42Å; L160-I164 PolarHBondContact O-N 2.98Å; L160-F199 HydrophobicContact CD1-CE2 4.34Å; L160-F199 HydrophobicContact CD1-CZ 4.26Å; L160-F199 HydrophobicContact CD2-CD2 4.39Å; L160-F199 HydrophobicContact CD2-CE2 3.61Å; L160-F199 HydrophobicContact CD2-CZ 4Å; L160-F199 HydrophobicContact CG-CE2 4.48Å; L160-I203 HydrophobicContact CD2-CD1 3.99Å; L160-I203 HydrophobicContact CD2-CG1 3.7Å
161N52.1Low50.1Low66 Ų6671.8 Ų71.835%0.35335%0.35SS..Hα-helixtrans-57-47.7174.3-178.1-14.7000110.6L157 I158 L163 I164 N165 L206L157-N161 WeakPolarHBondContact O-CB 3.41Å; L157-N161 PolarHBondContact O-N 3.47Å; I158-N161 PolarHBondContact O-N 3.27Å; N161-L163 PolarHBondContact O-N 2.76Å; N161-I164 PolarHBondContact O-N 3.34Å; N161-N165 PolarHBondContact O-N 3.25Å; N161-N165 PolarHBondContact O-ND2 3.14Å; N161-N165 VanDerWaalsContact O-ND2 3.13Å; N161-N165 PolarHBondContact OD1-ND2 3.41Å; N161-L206 HydrophobicContact CB-CD1 4.01Å; N161-L206 WeakPolarHBondContact OD1-CD2 3.44Å
162Y53.8Low50.3Low109 Ų10964.7 Ų64.743%0.42731%0.314SS..Hα-helixtrans-56.3-49.7172.2-174.7-100.3000112.6I126 I158 L160 I164 N165 M166I126-Y162 HydrophobicContact CD1-CE1 4.44Å; I126-Y162 WeakPolarHBondContact CD1-OH 3.44Å; I126-Y162 HydrophobicContact CG1-CE1 4.48Å; I126-Y162 WeakPolarHBondContact CG1-OH 3.24Å; I158-Y162 PolarHBondContact O-N 3.19Å; L160-Y162 VanDerWaalsContact C-N 3.33Å; L160-Y162 PolarHBondContact O-N 3.49Å; Y162-I164 VanDerWaalsContact C-N 3.31Å; Y162-I164 PolarHBondContact O-N 2.81Å; Y162-N165 PolarHBondContact O-N 3.26Å; Y162-M166 HydrophobicContact CD1-CG 4.46Å; Y162-M166 HydrophobicContact CE1-CG 4.13Å; Y162-M166 VanDerWaalsContact O-CG 3.3Å; Y162-M166 WeakPolarHBondContact O-CG 3.41Å; Y162-M166 PolarHBondContact O-N 3.03Å
163L53.2Low50.3Low22 Ų2260.1 Ų60.112%0.11530%0.3CS..Hα-helixtrans-57.3-41.1176.1-97.5160000112.9I136 L139 I143 Q159 L160 N161 M166 I167I136-L163 HydrophobicContact CG1-CD2 4.33Å; L139-L163 HydrophobicContact CB-CD1 3.97Å; L139-L163 HydrophobicContact CD1-CD1 4.22Å; L139-L163 HydrophobicContact CD1-CD2 4.09Å; I143-L163 HydrophobicContact CD1-CD1 3.55Å; Q159-L163 PolarHBondContact O-N 3.45Å; L160-L163 WeakPolarHBondContact O-CB 3.18Å; L160-L163 PolarHBondContact O-N 2.7Å; N161-L163 PolarHBondContact O-N 2.76Å; L163-M166 WeakPolarHBondContact O-CB 3.47Å; L163-M166 PolarHBondContact O-N 3.28Å; L163-I167 PolarHBondContact O-N 3.33Å
164I52.7Low50.4Low13 Ų1360.6 Ų60.67%0.06730%0.303CS..Hα-helixtrans-71.8-35.2-179.7-63163.6000111.6L160 N161 Y162 M166 I167 I203 L206L160-I164 HydrophobicContact CD2-CD1 3.57Å; L160-I164 HydrophobicContact CG-CD1 3.78Å; L160-I164 HydrophobicContact CG-CG1 4.38Å; L160-I164 VanDerWaalsContact O-CG1 3.31Å; L160-I164 WeakPolarHBondContact O-CG1 3.42Å; L160-I164 PolarHBondContact O-N 2.98Å; N161-I164 PolarHBondContact O-N 3.34Å; Y162-I164 VanDerWaalsContact C-N 3.31Å; Y162-I164 PolarHBondContact O-N 2.81Å; I164-M166 PolarHBondContact O-N 3.05Å; I164-I167 HydrophobicContact CB-CD1 4.2Å; I164-I167 HydrophobicContact CG1-CD1 3.95Å; I164-I167 HydrophobicContact CG2-CD1 4.15Å; I164-I167 VanDerWaalsContact O-CB 3.24Å; I164-I167 WeakPolarHBondContact O-CB 3.1Å; I164-I167 PolarHBondContact O-N 2.8Å; I164-I203 HydrophobicContact CD1-CG1 4.03Å; I164-L206 HydrophobicContact CB-CB 4.3Å; I164-L206 HydrophobicContact CB-CD1 4.3Å; I164-L206 HydrophobicContact CD1-CB 4.39Å; I164-L206 HydrophobicContact CD1-CD1 3.88Å; I164-L206 HydrophobicContact CG2-CB 3.6Å; I164-L206 HydrophobicContact CG2-CG 4.47Å
165N49.8Very low50.5Low71 Ų7158.3 Ų58.338%0.3829%0.288SS..Hα-helixtrans-65.4-22.4171.7-64.5-34.5000112.6N161 Y162 S168N161-N165 PolarHBondContact O-N 3.25Å; N161-N165 PolarHBondContact O-ND2 3.14Å; N161-N165 VanDerWaalsContact O-ND2 3.13Å; N161-N165 PolarHBondContact OD1-ND2 3.41Å; Y162-N165 PolarHBondContact O-N 3.26Å; N165-S168 PolarHBondContact O-OG 3.07Å
166M50.1Low50.5Low25 Ų2555 Ų5512%0.12327%0.269CS..THydrogen-bonded Turntrans-85.3-8.3172-54.5-71.8-78.300113.2Y162 L163 I164 S168 I169 Y170Y162-M166 HydrophobicContact CD1-CG 4.46Å; Y162-M166 HydrophobicContact CE1-CG 4.13Å; Y162-M166 VanDerWaalsContact O-CG 3.3Å; Y162-M166 WeakPolarHBondContact O-CG 3.41Å; Y162-M166 PolarHBondContact O-N 3.03Å; L163-M166 WeakPolarHBondContact O-CB 3.47Å; L163-M166 PolarHBondContact O-N 3.28Å; I164-M166 PolarHBondContact O-N 3.05Å; M166-S168 PolarHBondContact O-N 3.05Å; M166-I169 HydrophobicContact CE-CD1 4.14Å; M166-I169 WeakPolarHBondContact O-CB 3.35Å; M166-I169 PolarHBondContact O-N 2.64Å; M166-I169 HydrophobicContact SD-CD1 3.69Å; M166-Y170 HydrophobicContact CB-CD2 4.09Å; M166-Y170 HydrophobicContact CB-CE2 3.73Å; M166-Y170 HydrophobicContact CE-CE2 4.18Å; M166-Y170 WeakPolarHBondContact CE-OH 3.48Å; M166-Y170 WeakPolarHBondContact O-CD2 3.44Å; M166-Y170 PolarHBondContact O-N 2.69Å
167I51.3Low50.6Low21 Ų2154.9 Ų54.911%0.10827%0.269CS..THydrogen-bonded Turntrans-64.2-39.6-179.2-75.3-176.8000112.1L163 I164 I169 Y170 K171 I172L163-I167 PolarHBondContact O-N 3.33Å; I164-I167 HydrophobicContact CB-CD1 4.2Å; I164-I167 HydrophobicContact CG1-CD1 3.95Å; I164-I167 HydrophobicContact CG2-CD1 4.15Å; I164-I167 VanDerWaalsContact O-CB 3.24Å; I164-I167 WeakPolarHBondContact O-CB 3.1Å; I164-I167 PolarHBondContact O-N 2.8Å; I167-I169 VanDerWaalsContact C-N 3.27Å; I167-I169 PolarHBondContact O-N 2.8Å; I167-Y170 PolarHBondContact O-N 2.8Å; I167-K171 PolarHBondContact O-N 3.48Å; I167-I172 HydrophobicContact CB-CD1 4.18Å; I167-I172 HydrophobicContact CB-CG1 4.48Å; I167-I172 HydrophobicContact CD1-CD1 3.91Å; I167-I172 HydrophobicContact CG1-CD1 3.58Å; I167-I172 HydrophobicContact CG1-CG1 4.39Å; I167-I172 HydrophobicContact CG2-CB 3.84Å; I167-I172 HydrophobicContact CG2-CD1 3.91Å; I167-I172 HydrophobicContact CG2-CG1 3.9Å
168S46.5Very low50.9Low36 Ų3653.7 Ų53.725%0.25226%0.263SS..THydrogen-bonded Turntrans-61.1-35.2175.751.80000112.5N165 M166 Y170 N210N165-S168 PolarHBondContact O-OG 3.07Å; M166-S168 PolarHBondContact O-N 3.05Å; S168-Y170 VanDerWaalsContact C-N 3.34Å; S168-N210 WeakPolarHBondContact CB-OD1 3.42Å; S168-N210 PolarHBondContact OG-OD1 3.11Å
169I48.9Very low50.9Low92 Ų9251.9 Ų51.947%0.47225%0.254SS..THydrogen-bonded Turntrans-68.2-34.5177.6-52.2-178.2000111.3M166 I167M166-I169 HydrophobicContact CE-CD1 4.14Å; M166-I169 WeakPolarHBondContact O-CB 3.35Å; M166-I169 PolarHBondContact O-N 2.64Å; M166-I169 HydrophobicContact SD-CD1 3.69Å; I167-I169 VanDerWaalsContact C-N 3.27Å; I167-I169 PolarHBondContact O-N 2.8Å
170Y47.7Very low51Low28 Ų2851.2 Ų51.211%0.1125%0.251CS..THydrogen-bonded Turntrans-103.510.2-168.1-57.8-41000115.7I125 I132 I136 M166 I167 S168 I172I125-Y170 HydrophobicContact CG2-CE2 4.02Å; I125-Y170 PolarHBondContact O-OH 3.37Å; I132-Y170 HydrophobicContact CB-CD1 4.31Å; I132-Y170 HydrophobicContact CB-CD2 4.15Å; I132-Y170 HydrophobicContact CB-CE2 4.34Å; I132-Y170 HydrophobicContact CB-CG 4.1Å; I132-Y170 HydrophobicContact CD1-CD1 3.18Å; I132-Y170 HydrophobicContact CD1-CE1 3.48Å; I132-Y170 VanDerWaalsContact CD1-CE1 3.48Å; I132-Y170 HydrophobicContact CD1-CG 3.77Å; I132-Y170 HydrophobicContact CG1-CD1 3.67Å; I132-Y170 HydrophobicContact CG1-CD2 4.26Å; I132-Y170 HydrophobicContact CG1-CE1 3.61Å; I132-Y170 HydrophobicContact CG1-CE2 4.2Å; I132-Y170 HydrophobicContact CG1-CG 3.99Å; I132-Y170 HydrophobicContact CG2-CD2 4.06Å; I132-Y170 HydrophobicContact CG2-CE2 3.92Å; I136-Y170 HydrophobicContact CD1-CD2 3.77Å; I136-Y170 HydrophobicContact CD1-CG 4.34Å; M166-Y170 HydrophobicContact CB-CD2 4.09Å; M166-Y170 HydrophobicContact CB-CE2 3.73Å; M166-Y170 HydrophobicContact CE-CE2 4.18Å; M166-Y170 WeakPolarHBondContact CE-OH 3.48Å; M166-Y170 WeakPolarHBondContact O-CD2 3.44Å; M166-Y170 PolarHBondContact O-N 2.69Å; I167-Y170 PolarHBondContact O-N 2.8Å; S168-Y170 VanDerWaalsContact C-N 3.34Å; Y170-I172 PolarHBondContact O-N 2.9Å
171K49.8Very low51.1Low189 Ų18951.4 Ų51.482%0.82225%0.252SS*.THydrogen-bonded Turntrans54.342.9173.1-57.4-175.2177.7-176.10114.5I167 T173I167-K171 PolarHBondContact O-N 3.48Å; K171-T173 PolarHBondContact O-N 2.86Å
172I49.4Very low51.2Low27 Ų2750.6 Ų50.614%0.13825%0.246CC..  trans-61.2138.9171-55.9-163.4000109.2I136 I167 Y170 E176 I177I136-I172 HydrophobicContact CD1-CD1 4.17Å; I136-I172 HydrophobicContact CG2-CD1 3.82Å; I167-I172 HydrophobicContact CB-CD1 4.18Å; I167-I172 HydrophobicContact CB-CG1 4.48Å; I167-I172 HydrophobicContact CD1-CD1 3.91Å; I167-I172 HydrophobicContact CG1-CD1 3.58Å; I167-I172 HydrophobicContact CG1-CG1 4.39Å; I167-I172 HydrophobicContact CG2-CB 3.84Å; I167-I172 HydrophobicContact CG2-CD1 3.91Å; I167-I172 HydrophobicContact CG2-CG1 3.9Å; Y170-I172 PolarHBondContact O-N 2.9Å; I172-E176 HydrophobicContact CG2-CB 3.47Å; I172-E176 VanDerWaalsContact CG2-CB 3.47Å; I172-E176 HydrophobicContact CG2-CG 4.36Å; I172-I177 HydrophobicContact CG2-CG1 4.45Å
173T49Very low51.3Low65 Ų6550.1 Ų50.140%0.39925%0.25SC..  trans-76.3150-177.460.50000111.9K171 H175 E176 I177K171-T173 PolarHBondContact O-N 2.86Å; T173-H175 PolarHBondContact O-N 3.41Å; T173-H175 VanDerWaalsContact O-N 3.13Å; T173-E176 WeakPolarHBondContact CB-OE2 3.28Å; T173-E176 PolarHBondContact N-OE2 3.07Å; T173-E176 PolarHBondContact O-N 2.67Å; T173-E176 WeakPolarHBondContact OG1-CG 3.46Å; T173-E176 PolarHBondContact OG1-N 3.41Å; T173-E176 PolarHBondContact OG1-OE2 3.32Å; T173-I177 PolarHBondContact O-N 2.82Å; T173-I177 VanDerWaalsContact O-N 3.11Å
174F50.4Low51.3Low54 Ų5450.2 Ų50.224%0.23725%0.25CS..Hα-helixtrans-52.2-33.1168.9177-105000111.9I177 L178 D219 Y222 I223F174-I177 PolarHBondContact O-N 2.82Å; F174-L178 HydrophobicContact CD1-CD1 4.43Å; F174-L178 HydrophobicContact CE1-CD1 3.7Å; F174-L178 HydrophobicContact CZ-CD1 4Å; F174-L178 VanDerWaalsContact O-CB 3.29Å; F174-L178 WeakPolarHBondContact O-CB 3.33Å; F174-L178 PolarHBondContact O-N 2.91Å; F174-D219 HydrophobicContact CD2-CB 3.93Å; F174-D219 HydrophobicContact CE2-CB 3.57Å; F174-D219 HydrophobicContact CZ-CB 4.07Å; F174-Y222 AromaticContact CZ-CD1 3.92Å; F174-Y222 HydrophobicContact CZ-CD1 3.92Å; F174-I223 HydrophobicContact CE2-CD1 4.19Å; F174-I223 HydrophobicContact CE2-CG1 4.36Å
175H49.2Very low51.5Low75 Ų7551.9 Ų51.935%0.34726%0.257SS..Hα-helixtrans-63.2-40.1174.2-177.252.1000113.6T173 L178 L179 F364T173-H175 PolarHBondContact O-N 3.41Å; T173-H175 VanDerWaalsContact O-N 3.13Å; H175-L178 PolarHBondContact O-N 3.33Å; H175-L179 WeakPolarHBondContact O-CB 3.22Å; H175-L179 WeakPolarHBondContact O-CG 3.26Å; H175-L179 PolarHBondContact O-N 2.66Å; H175-F364 AromaticContact CE1-CZ 3.87Å; H175-F364 AromaticContact ND1-CE1 3.81Å; H175-F364 AromaticContact ND1-CZ 3.58Å
176E51Low51.7Low40 Ų4053.5 Ų53.519%0.18727%0.266CS..Hα-helixtrans-70.8-36.2175.6-74.9162.6123.700111.8R137 I172 T173 L179 I180R137-E176 IonicContact CZ-OE1 2.61Å; R137-E176 IonicContact NE-OE1 2.78Å; R137-E176 PolarHBondContact NE-OE1 3.15Å; R137-E176 IonicContact NH2-OE1 3.6Å; R137-E176 PolarHBondContact NH2-OE1 2.97Å; I172-E176 HydrophobicContact CG2-CB 3.47Å; I172-E176 VanDerWaalsContact CG2-CB 3.47Å; I172-E176 HydrophobicContact CG2-CG 4.36Å; T173-E176 WeakPolarHBondContact CB-OE2 3.28Å; T173-E176 PolarHBondContact N-OE2 3.07Å; T173-E176 PolarHBondContact O-N 2.67Å; T173-E176 WeakPolarHBondContact OG1-CG 3.46Å; T173-E176 PolarHBondContact OG1-N 3.41Å; T173-E176 PolarHBondContact OG1-OE2 3.32Å; E176-L179 PolarHBondContact O-N 2.85Å; E176-I180 WeakPolarHBondContact O-CD1 3.45Å; E176-I180 VanDerWaalsContact O-CG1 3.29Å; E176-I180 WeakPolarHBondContact O-CG1 3.46Å; E176-I180 PolarHBondContact O-N 3.06Å
177I52.8Low51.7Low10 Ų1056.2 Ų56.25%0.05128%0.278CS..Hα-helixtrans-60.7-47.5170.5-67.8167.4000110.5I172 T173 F174 L179 I180 I181 L207 L214I172-I177 HydrophobicContact CG2-CG1 4.45Å; T173-I177 PolarHBondContact O-N 2.82Å; T173-I177 VanDerWaalsContact O-N 3.11Å; F174-I177 PolarHBondContact O-N 2.82Å; I177-L179 VanDerWaalsContact C-N 3.34Å; I177-L179 PolarHBondContact O-N 3.45Å; I177-I180 WeakPolarHBondContact O-CB 3.17Å; I177-I180 PolarHBondContact O-N 2.88Å; I177-I180 VanDerWaalsContact O-N 3.17Å; I177-I181 HydrophobicContact CG2-CD1 4.03Å; I177-I181 WeakPolarHBondContact O-CG1 3.47Å; I177-I181 PolarHBondContact O-N 2.92Å; I177-L207 HydrophobicContact CB-CD2 4.39Å; I177-L207 HydrophobicContact CD1-CD2 3.97Å; I177-L207 HydrophobicContact CG1-CD2 3.92Å; I177-L207 HydrophobicContact CG2-CD1 3.68Å; I177-L207 HydrophobicContact CG2-CD2 3.62Å; I177-L207 HydrophobicContact CG2-CG 4.28Å; I177-L214 HydrophobicContact CD1-CD2 4.45Å
178L53.7Low51.8Low7 Ų756.2 Ų56.24%0.03728%0.278CS..Hα-helixtrans-66.4-34.6179.7-159.4157.3000111.7F174 H175 I181 K182 Y222 F364F174-L178 HydrophobicContact CD1-CD1 4.43Å; F174-L178 HydrophobicContact CE1-CD1 3.7Å; F174-L178 HydrophobicContact CZ-CD1 4Å; F174-L178 VanDerWaalsContact O-CB 3.29Å; F174-L178 WeakPolarHBondContact O-CB 3.33Å; F174-L178 PolarHBondContact O-N 2.91Å; H175-L178 PolarHBondContact O-N 3.33Å; L178-I181 PolarHBondContact O-N 3.11Å; L178-K182 HydrophobicContact CD2-CD 3.77Å; L178-K182 HydrophobicContact CD2-CG 4.08Å; L178-K182 WeakPolarHBondContact O-CB 3.36Å; L178-K182 PolarHBondContact O-N 2.96Å; L178-Y222 HydrophobicContact CD1-CD1 4.01Å; L178-Y222 HydrophobicContact CD1-CE1 3.4Å; L178-Y222 VanDerWaalsContact CD1-CE1 3.4Å; L178-Y222 HydrophobicContact CD2-CE1 4.5Å; L178-Y222 HydrophobicContact CG-CE1 3.74Å; L178-F364 HydrophobicContact CD1-CD1 4.12Å; L178-F364 HydrophobicContact CD1-CE1 4.33Å; L178-F364 HydrophobicContact CD2-CD1 4.29Å; L178-F364 HydrophobicContact CD2-CE1 4.26Å
179L52.9Low52Low77 Ų7763 Ų6340%0.40330%0.303SS..Hα-helixtrans-65-40.7170.6-79.5164.4000112.5H175 E176 I177 K182 L183H175-L179 WeakPolarHBondContact O-CB 3.22Å; H175-L179 WeakPolarHBondContact O-CG 3.26Å; H175-L179 PolarHBondContact O-N 2.66Å; E176-L179 PolarHBondContact O-N 2.85Å; I177-L179 VanDerWaalsContact C-N 3.34Å; I177-L179 PolarHBondContact O-N 3.45Å; L179-K182 PolarHBondContact O-N 2.73Å; L179-L183 WeakPolarHBondContact O-CB 3.32Å; L179-L183 VanDerWaalsContact O-CG 3.26Å; L179-L183 WeakPolarHBondContact O-CG 3.42Å; L179-L183 PolarHBondContact O-N 2.82Å
180I53.8Low51.9Low35 Ų3564.9 Ų64.918%0.17931%0.314CS..Hα-helixtrans-61.3-47.4173.6-69160.1000109.9I140 E176 I177 K182 L183 I184I140-I180 HydrophobicContact CD1-CD1 3.89Å; E176-I180 WeakPolarHBondContact O-CD1 3.45Å; E176-I180 VanDerWaalsContact O-CG1 3.29Å; E176-I180 WeakPolarHBondContact O-CG1 3.46Å; E176-I180 PolarHBondContact O-N 3.06Å; I177-I180 WeakPolarHBondContact O-CB 3.17Å; I177-I180 PolarHBondContact O-N 2.88Å; I177-I180 VanDerWaalsContact O-N 3.17Å; I180-K182 PolarHBondContact O-N 3.41Å; I180-L183 PolarHBondContact O-N 2.8Å; I180-I184 HydrophobicContact CG2-CD1 3.77Å; I180-I184 WeakPolarHBondContact O-CB 3.2Å; I180-I184 VanDerWaalsContact O-CG1 3.25Å; I180-I184 WeakPolarHBondContact O-CG1 3.41Å; I180-I184 PolarHBondContact O-N 2.8Å
181I55.1Low51.9Low17 Ų1767.8 Ų67.89%0.08733%0.327CS..Hα-helixtrans-60.8-44.2176.7-65166.8000111.4I177 L178 I184 K185 L207I177-I181 HydrophobicContact CG2-CD1 4.03Å; I177-I181 WeakPolarHBondContact O-CG1 3.47Å; I177-I181 PolarHBondContact O-N 2.92Å; L178-I181 PolarHBondContact O-N 3.11Å; I181-I184 WeakPolarHBondContact O-CB 3.4Å; I181-I184 PolarHBondContact O-N 3.48Å; I181-K185 WeakPolarHBondContact O-CB 3.11Å; I181-K185 PolarHBondContact O-N 2.88Å; I181-L207 HydrophobicContact CD1-CD1 4.05Å; I181-L207 HydrophobicContact CG1-CD1 4.33Å
182K55Low51.8Low50 Ų5066.8 Ų66.822%0.21733%0.331CS..Hα-helixtrans-66.9-40.5177.4-82.9-175.3172.4-179.60113.3L178 L179 I180 I184 K185 N186 E363L178-K182 HydrophobicContact CD2-CD 3.77Å; L178-K182 HydrophobicContact CD2-CG 4.08Å; L178-K182 WeakPolarHBondContact O-CB 3.36Å; L178-K182 PolarHBondContact O-N 2.96Å; L179-K182 PolarHBondContact O-N 2.73Å; I180-K182 PolarHBondContact O-N 3.41Å; K182-I184 VanDerWaalsContact C-N 3.3Å; K182-I184 PolarHBondContact O-N 3.37Å; K182-K185 PolarHBondContact O-N 3.42Å; K182-N186 WeakPolarHBondContact O-CB 3.29Å; K182-N186 VanDerWaalsContact O-CG 3.3Å; K182-N186 PolarHBondContact O-N 3.18Å; K182-N186 PolarHBondContact O-ND2 3.49Å; K182-E363 PolarHBondContact NZ-O 3.34Å
183L54.7Low51.9Low99 Ų9967.4 Ų67.452%0.51833%0.334SS..Hα-helixtrans-59.8-44.4173.5-76.3167.1000110.5L179 I180 N186 Q187L179-L183 WeakPolarHBondContact O-CB 3.32Å; L179-L183 VanDerWaalsContact O-CG 3.26Å; L179-L183 WeakPolarHBondContact O-CG 3.42Å; L179-L183 PolarHBondContact O-N 2.82Å; I180-L183 PolarHBondContact O-N 2.8Å; L183-N186 PolarHBondContact O-N 3.14Å; L183-Q187 WeakPolarHBondContact O-CG 3.28Å; L183-Q187 PolarHBondContact O-N 3.3Å
184I54.1Low51.8Low23 Ų2370.7 Ų70.712%0.11834%0.342CS..Hα-helixtrans-61.7-49.7174.6-73.8169.2000111.6I180 I181 K182 N186 Q187 L188 C200 I203I180-I184 HydrophobicContact CG2-CD1 3.77Å; I180-I184 WeakPolarHBondContact O-CB 3.2Å; I180-I184 VanDerWaalsContact O-CG1 3.25Å; I180-I184 WeakPolarHBondContact O-CG1 3.41Å; I180-I184 PolarHBondContact O-N 2.8Å; I181-I184 WeakPolarHBondContact O-CB 3.4Å; I181-I184 PolarHBondContact O-N 3.48Å; K182-I184 VanDerWaalsContact C-N 3.3Å; K182-I184 PolarHBondContact O-N 3.37Å; I184-N186 VanDerWaalsContact C-N 3.26Å; I184-N186 PolarHBondContact O-N 3.37Å; I184-Q187 PolarHBondContact O-N 3.25Å; I184-Q187 VanDerWaalsContact O-N 3.15Å; I184-L188 HydrophobicContact CG2-CD1 4.04Å; I184-L188 HydrophobicContact CG2-CG 4.38Å; I184-L188 WeakPolarHBondContact O-CB 3.32Å; I184-L188 WeakPolarHBondContact O-CG 3.42Å; I184-L188 PolarHBondContact O-N 3.01Å; I184-C200 HydrophobicContact CG2-CB 4.15Å; I184-C200 WeakPolarHBondContact CG2-SG 3.28Å; I184-I203 HydrophobicContact CD1-CD1 3.65Å
185K55.3Low51.7Low48 Ų4872.9 Ų72.921%0.20936%0.357CS..Hα-helixtrans-60.7-33.4179.2-166.4173.6-175.1177.20112.5I181 K182 E226 E229I181-K185 WeakPolarHBondContact O-CB 3.11Å; I181-K185 PolarHBondContact O-N 2.88Å; K182-K185 PolarHBondContact O-N 3.42Å; K185-E226 WeakPolarHBondContact CD-OE2 3.3Å; K185-E226 IonicContact NZ-OE1 2.69Å; K185-E226 IonicContact NZ-OE2 3.21Å; K185-E226 PolarHBondContact NZ-OE2 3.1Å; K185-E229 IonicContact NZ-OE2 2.84Å; K185-E229 PolarHBondContact NZ-OE2 2.64Å
186N54Low51.8Low105 Ų10571.3 Ų71.356%0.56135%0.35SS*.Hα-helixtrans-75.2-38.5174.6-73.4-20.5000112.9K182 L183 I184K182-N186 WeakPolarHBondContact O-CB 3.29Å; K182-N186 VanDerWaalsContact O-CG 3.3Å; K182-N186 PolarHBondContact O-N 3.18Å; K182-N186 PolarHBondContact O-ND2 3.49Å; L183-N186 PolarHBondContact O-N 3.14Å; I184-N186 VanDerWaalsContact C-N 3.26Å; I184-N186 PolarHBondContact O-N 3.37Å
187Q51.5Low51.7Low82 Ų8270.3 Ų70.338%0.38335%0.346SS..Hα-helixtrans-71.5-34.7176-67.3-78.7-4500112L183 I184 K189 L190 F191L183-Q187 WeakPolarHBondContact O-CG 3.28Å; L183-Q187 PolarHBondContact O-N 3.3Å; I184-Q187 PolarHBondContact O-N 3.25Å; I184-Q187 VanDerWaalsContact O-N 3.15Å; Q187-K189 PolarHBondContact O-N 3.45Å; Q187-K189 VanDerWaalsContact O-N 3.09Å; Q187-L190 PolarHBondContact O-N 2.85Å; Q187-F191 WeakPolarHBondContact O-CD2 3.35Å
188L52.7Low51.7Low22 Ų2274.4 Ų74.412%0.11537%0.367CS..G310 helixtrans-56.2-25176-84.7170.3000113.7I184 L190 L193 I196 Q197I184-L188 HydrophobicContact CG2-CD1 4.04Å; I184-L188 HydrophobicContact CG2-CG 4.38Å; I184-L188 WeakPolarHBondContact O-CB 3.32Å; I184-L188 WeakPolarHBondContact O-CG 3.42Å; I184-L188 PolarHBondContact O-N 3.01Å; L188-L190 PolarHBondContact O-N 3.21Å; L188-L193 HydrophobicContact CD2-CD2 4.06Å; L188-L193 WeakPolarHBondContact O-CD2 3.42Å; L188-I196 HydrophobicContact CD2-CB 4.38Å; L188-I196 HydrophobicContact CD2-CG2 3.75Å; L188-I196 HydrophobicContact CG-CG2 4.35Å; L188-Q197 HydrophobicContact CD2-CG 3.86Å
189K51.3Low51.6Low179 Ų17974.8 Ų74.878%0.77837%0.369SS*.G310 helixtrans-73.4-8.2175.6-68.9-174.8175-177.40114.4Q187Q187-K189 PolarHBondContact O-N 3.45Å; Q187-K189 VanDerWaalsContact O-N 3.09Å
190L46.2Very low51.6Low131 Ų13171.3 Ų71.369%0.68635%0.351SS*.G310 helixtrans-113.8-7.7-172-76.8162.8000114.8Q187 L188Q187-L190 PolarHBondContact O-N 2.85Å; L188-L190 PolarHBondContact O-N 3.21Å
191F47.2Very low51.5Low88 Ų8871.3 Ų71.339%0.38635%0.351SS..SBendtrans-134.1136.8-170.2-67.2-73.4000113.3Q187 L193 I196Q187-F191 WeakPolarHBondContact O-CD2 3.35Å; F191-L193 VanDerWaalsContact O-CD2 3.31Å; F191-L193 WeakPolarHBondContact O-CD2 3.49Å; F191-L193 WeakPolarHBondContact O-CG 3.29Å; F191-L193 PolarHBondContact O-N 3.15Å; F191-I196 HydrophobicContact CB-CD1 3.55Å; F191-I196 HydrophobicContact CD1-CD1 4.49Å; F191-I196 HydrophobicContact CD2-CD1 3.85Å; F191-I196 HydrophobicContact CG-CD1 3.72Å
192N48.9Very low51.4Low169 Ų16972.6 Ų72.690%0.90436%0.358SS*.  trans-61.2135.8171.4-94.1-17.8000111.3
193L50.1Low51.4Low39 Ų3970.8 Ų70.820%0.20435%0.35CS..SBend-96.1-32.9-123.4-80.5163000116.1L188 F191 N195 I196 Q197 I237L188-L193 HydrophobicContact CD2-CD2 4.06Å; L188-L193 WeakPolarHBondContact O-CD2 3.42Å; F191-L193 VanDerWaalsContact O-CD2 3.31Å; F191-L193 WeakPolarHBondContact O-CD2 3.49Å; F191-L193 WeakPolarHBondContact O-CG 3.29Å; F191-L193 PolarHBondContact O-N 3.15Å; L193-N195 PolarHBondContact O-N 3.27Å; L193-I196 PolarHBondContact O-N 2.95Å; L193-Q197 HydrophobicContact CB-CG 4.23Å; L193-Q197 HydrophobicContact CD2-CG 4.41Å; L193-Q197 WeakPolarHBondContact O-CB 3.22Å; L193-Q197 WeakPolarHBondContact O-CG 3.42Å; L193-Q197 PolarHBondContact O-N 2.68Å; L193-Q197 PolarHBondContact O-OE1 3.45Å; L193-I237 HydrophobicContact CD1-CD1 3.71Å; L193-I237 HydrophobicContact CD1-CG2 4.16Å
194K48.4Very low51.3Low134 Ų13467 Ų6758%0.58333%0.331SS*.Hα-helixtrans-52.3-53.5-163.6-74.3-176.4175.5177.50115.2I196 Q197 L198K194-I196 PolarHBondContact O-N 3.44Å; K194-Q197 PolarHBondContact O-N 2.92Å; K194-L198 PolarHBondContact O-N 2.96Å
195N48.5Very low51.2Low101 Ų10168.7 Ų68.754%0.5434%0.338SS..Hα-helixtrans-72.1-30.5-171.6-68.23.8000112.8Y153 L193 F199Y153-N195 HydrophobicContact CE1-CB 4.02Å; Y153-N195 WeakPolarHBondContact CE1-O 3.22Å; Y153-N195 HydrophobicContact CE2-CB 4.39Å; Y153-N195 VanDerWaalsContact OH-C 3.25Å; Y153-N195 PolarHBondContact OH-O 2.95Å; L193-N195 PolarHBondContact O-N 3.27Å; N195-F199 PolarHBondContact O-N 3.38Å
196I49.5Very low51.1Low41 Ų4166.9 Ų66.921%0.2133%0.33CS..Hα-helixtrans-78-42175.6-64174000109.2L188 F191 L193 K194 L198 F199 C200L188-I196 HydrophobicContact CD2-CB 4.38Å; L188-I196 HydrophobicContact CD2-CG2 3.75Å; L188-I196 HydrophobicContact CG-CG2 4.35Å; F191-I196 HydrophobicContact CB-CD1 3.55Å; F191-I196 HydrophobicContact CD1-CD1 4.49Å; F191-I196 HydrophobicContact CD2-CD1 3.85Å; F191-I196 HydrophobicContact CG-CD1 3.72Å; L193-I196 PolarHBondContact O-N 2.95Å; K194-I196 PolarHBondContact O-N 3.44Å; I196-L198 VanDerWaalsContact C-N 3.31Å; I196-L198 PolarHBondContact O-N 3.28Å; I196-F199 CarbonylContact O-C 3.58Å; I196-F199 WeakPolarHBondContact O-CA 3.48Å; I196-F199 WeakPolarHBondContact O-CB 3.39Å; I196-F199 PolarHBondContact O-N 3.04Å; I196-C200 PolarHBondContact O-N 3.06Å; I196-C200 PolarHBondContact O-SG 3.11Å
197Q50.7Low51Low20 Ų2062.5 Ų62.59%0.09331%0.307CS..Hα-helixtrans-57.1-40.9172.6-73.6169-35.500112.9L188 L193 K194 F199 C200 L201 Y234L188-Q197 HydrophobicContact CD2-CG 3.86Å; L193-Q197 HydrophobicContact CB-CG 4.23Å; L193-Q197 HydrophobicContact CD2-CG 4.41Å; L193-Q197 WeakPolarHBondContact O-CB 3.22Å; L193-Q197 WeakPolarHBondContact O-CG 3.42Å; L193-Q197 PolarHBondContact O-N 2.68Å; L193-Q197 PolarHBondContact O-OE1 3.45Å; K194-Q197 PolarHBondContact O-N 2.92Å; Q197-F199 VanDerWaalsContact C-N 3.33Å; Q197-F199 PolarHBondContact O-N 3.08Å; Q197-C200 WeakPolarHBondContact O-CB 3.49Å; Q197-C200 PolarHBondContact O-N 3.43Å; Q197-L201 WeakPolarHBondContact O-CB 3.35Å; Q197-L201 WeakPolarHBondContact O-CG 3.26Å; Q197-L201 PolarHBondContact O-N 3.06Å; Q197-Y234 HydrophobicContact CB-CE2 4.12Å; Q197-Y234 VanDerWaalsContact CD-CD2 3.42Å; Q197-Y234 HydrophobicContact CG-CD2 4.3Å; Q197-Y234 HydrophobicContact CG-CE2 4.13Å
198L51.3Low51Low96 Ų9663.5 Ų63.550%0.50331%0.308SS..Hα-helixtrans-62.9-39.6174.9-165.973.8000111.9K194 I196 L201 N202K194-L198 PolarHBondContact O-N 2.96Å; I196-L198 VanDerWaalsContact C-N 3.31Å; I196-L198 PolarHBondContact O-N 3.28Å; L198-L201 PolarHBondContact O-N 2.86Å; L198-N202 PolarHBondContact O-N 3.41Å; L198-N202 PolarHBondContact O-ND2 3.1Å; L198-N202 PolarHBondContact O-OD1 3.41Å
199F52.4Low50.9Low15 Ų1570.8 Ų70.87%0.06633%0.334CS..Hα-helixtrans-64.7-40.5173.1174.2-96.8000112.1I147 L157 L160 N195 I196 Q197 N202 I203I147-F199 HydrophobicContact CD1-CD2 3.83Å; I147-F199 HydrophobicContact CD1-CE1 4.44Å; I147-F199 HydrophobicContact CD1-CE2 3.2Å; I147-F199 HydrophobicContact CD1-CZ 3.57Å; L157-F199 HydrophobicContact CD2-CD2 4.2Å; L157-F199 HydrophobicContact CG-CD2 4.44Å; L160-F199 HydrophobicContact CD1-CE2 4.34Å; L160-F199 HydrophobicContact CD1-CZ 4.26Å; L160-F199 HydrophobicContact CD2-CD2 4.39Å; L160-F199 HydrophobicContact CD2-CE2 3.61Å; L160-F199 HydrophobicContact CD2-CZ 4Å; L160-F199 HydrophobicContact CG-CE2 4.48Å; N195-F199 PolarHBondContact O-N 3.38Å; I196-F199 CarbonylContact O-C 3.58Å; I196-F199 WeakPolarHBondContact O-CA 3.48Å; I196-F199 WeakPolarHBondContact O-CB 3.39Å; I196-F199 PolarHBondContact O-N 3.04Å; Q197-F199 VanDerWaalsContact C-N 3.33Å; Q197-F199 PolarHBondContact O-N 3.08Å; F199-N202 PolarHBondContact O-N 3.43Å; F199-I203 HydrophobicContact CD1-CD1 3.9Å; F199-I203 HydrophobicContact CE1-CD1 3.41Å; F199-I203 VanDerWaalsContact CE1-CD1 3.41Å; F199-I203 HydrophobicContact CE2-CD1 4.29Å; F199-I203 HydrophobicContact CZ-CD1 3.64Å; F199-I203 WeakPolarHBondContact O-CG1 3.43Å; F199-I203 PolarHBondContact O-N 2.95Å
200C52Low50.8Low3 Ų363.5 Ų63.52%0.0230%0.304CS..Hα-helixtrans-60.4-47.8172.7-550000111.6I184 I196 Q197 N202 I203 I204I184-C200 HydrophobicContact CG2-CB 4.15Å; I184-C200 WeakPolarHBondContact CG2-SG 3.28Å; I196-C200 PolarHBondContact O-N 3.06Å; I196-C200 PolarHBondContact O-SG 3.11Å; Q197-C200 WeakPolarHBondContact O-CB 3.49Å; Q197-C200 PolarHBondContact O-N 3.43Å; C200-N202 VanDerWaalsContact C-N 3.33Å; C200-N202 PolarHBondContact O-N 2.96Å; C200-I203 PolarHBondContact O-N 3.47Å; C200-I204 WeakPolarHBondContact O-CB 3.28Å; C200-I204 WeakPolarHBondContact O-CD1 3.39Å; C200-I204 VanDerWaalsContact O-CG1 3.31Å; C200-I204 WeakPolarHBondContact O-CG1 3.39Å; C200-I204 PolarHBondContact O-N 2.72Å
201L52.7Low50.8Low35 Ų3558.2 Ų58.218%0.18328%0.276CS..Hα-helixtrans-59.5-42.8178.1-76.1163.8000111.5Q197 L198 I204 Q205 F231Q197-L201 WeakPolarHBondContact O-CB 3.35Å; Q197-L201 WeakPolarHBondContact O-CG 3.26Å; Q197-L201 PolarHBondContact O-N 3.06Å; L198-L201 PolarHBondContact O-N 2.86Å; L201-I204 WeakPolarHBondContact O-CB 3.03Å; L201-I204 PolarHBondContact O-N 2.76Å; L201-Q205 WeakPolarHBondContact O-CB 3.08Å; L201-Q205 WeakPolarHBondContact O-CG 3.13Å; L201-Q205 PolarHBondContact O-N 2.85Å; L201-F231 HydrophobicContact CD2-CE1 4.01Å; L201-F231 HydrophobicContact CD2-CE2 4.42Å; L201-F231 HydrophobicContact CD2-CZ 3.59Å
202N53.6Low50.6Low44 Ų4460.8 Ų60.824%0.23529%0.294CS..Hα-helixtrans-65.2-41.4176.7-67.4-11.8000112L157 L198 F199 C200 I204 L206L157-N202 HydrophobicContact CD2-CB 4.25Å; L198-N202 PolarHBondContact O-N 3.41Å; L198-N202 PolarHBondContact O-ND2 3.1Å; L198-N202 PolarHBondContact O-OD1 3.41Å; F199-N202 PolarHBondContact O-N 3.43Å; C200-N202 VanDerWaalsContact C-N 3.33Å; C200-N202 PolarHBondContact O-N 2.96Å; N202-I204 VanDerWaalsContact C-N 3.35Å; N202-L206 WeakPolarHBondContact O-CB 3.29Å; N202-L206 WeakPolarHBondContact O-CD1 3.46Å; N202-L206 WeakPolarHBondContact O-CG 3.26Å; N202-L206 PolarHBondContact O-N 3.26Å
203I54.1Low50.5Low12 Ų1261.2 Ų61.26%0.06228%0.284CS..Hα-helixtrans-61.7-44.2172.6-72.4173000110.7L160 I164 I184 F199 C200 L206 L207L160-I203 HydrophobicContact CD2-CD1 3.99Å; L160-I203 HydrophobicContact CD2-CG1 3.7Å; I164-I203 HydrophobicContact CD1-CG1 4.03Å; I184-I203 HydrophobicContact CD1-CD1 3.65Å; F199-I203 HydrophobicContact CD1-CD1 3.9Å; F199-I203 HydrophobicContact CE1-CD1 3.41Å; F199-I203 VanDerWaalsContact CE1-CD1 3.41Å; F199-I203 HydrophobicContact CE2-CD1 4.29Å; F199-I203 HydrophobicContact CZ-CD1 3.64Å; F199-I203 WeakPolarHBondContact O-CG1 3.43Å; F199-I203 PolarHBondContact O-N 2.95Å; C200-I203 PolarHBondContact O-N 3.47Å; I203-L206 PolarHBondContact O-N 3.1Å; I203-L207 HydrophobicContact CG2-CD1 3.86Å; I203-L207 HydrophobicContact CG2-CG 4.31Å; I203-L207 WeakPolarHBondContact O-CB 3.18Å; I203-L207 VanDerWaalsContact O-CG 3.26Å; I203-L207 WeakPolarHBondContact O-CG 3.35Å; I203-L207 PolarHBondContact O-N 3.07Å
204I52Low50.1Low21 Ų2161 Ų6111%0.10828%0.283CS..Hα-helixtrans-61.6-46.2178.9-80.9161.3000111.5C200 L201 N202 L207 Y208 I227 I230C200-I204 WeakPolarHBondContact O-CB 3.28Å; C200-I204 WeakPolarHBondContact O-CD1 3.39Å; C200-I204 VanDerWaalsContact O-CG1 3.31Å; C200-I204 WeakPolarHBondContact O-CG1 3.39Å; C200-I204 PolarHBondContact O-N 2.72Å; L201-I204 WeakPolarHBondContact O-CB 3.03Å; L201-I204 PolarHBondContact O-N 2.76Å; N202-I204 VanDerWaalsContact C-N 3.35Å; I204-L207 PolarHBondContact O-N 3.28Å; I204-Y208 WeakPolarHBondContact O-CB 3Å; I204-Y208 PolarHBondContact O-N 3.3Å; I204-I227 HydrophobicContact CD1-CG1 4.1Å; I204-I227 HydrophobicContact CG1-CG1 4.26Å; I204-I227 HydrophobicContact CG2-CD1 3.44Å; I204-I227 VanDerWaalsContact CG2-CD1 3.44Å; I204-I227 HydrophobicContact CG2-CG1 3.7Å; I204-I230 HydrophobicContact CD1-CD1 4.3Å
205Q53.5Low49.8Very low58 Ų5860.3 Ų60.327%0.27129%0.285SS..Hα-helixtrans-61.8-42.9175-74.2174.9-7.700111.6L201 Y208 W209 Y253L201-Q205 WeakPolarHBondContact O-CB 3.08Å; L201-Q205 WeakPolarHBondContact O-CG 3.13Å; L201-Q205 PolarHBondContact O-N 2.85Å; Q205-Y208 WeakPolarHBondContact O-CB 3.16Å; Q205-Y208 PolarHBondContact O-N 3.34Å; Q205-W209 PolarHBondContact O-N 2.73Å; Q205-Y253 PolarHBondContact NE2-OH 2.79Å; Q205-Y253 VanDerWaalsContact NE2-OH 3.08Å
206L52.5Low49.7Very low9 Ų957.2 Ų57.25%0.04727%0.269CS..Hα-helixtrans-68.7-35.7178.5-78.5162.5000113.1N161 I164 N202 I203 W209 N210N161-L206 HydrophobicContact CB-CD1 4.01Å; N161-L206 WeakPolarHBondContact OD1-CD2 3.44Å; I164-L206 HydrophobicContact CB-CB 4.3Å; I164-L206 HydrophobicContact CB-CD1 4.3Å; I164-L206 HydrophobicContact CD1-CB 4.39Å; I164-L206 HydrophobicContact CD1-CD1 3.88Å; I164-L206 HydrophobicContact CG2-CB 3.6Å; I164-L206 HydrophobicContact CG2-CG 4.47Å; N202-L206 WeakPolarHBondContact O-CB 3.29Å; N202-L206 WeakPolarHBondContact O-CD1 3.46Å; N202-L206 WeakPolarHBondContact O-CG 3.26Å; N202-L206 PolarHBondContact O-N 3.26Å; I203-L206 PolarHBondContact O-N 3.1Å; L206-W209 HydrophobicContact CD2-CE3 4.26Å; L206-N210 PolarHBondContact O-N 2.9Å; L206-N210 PolarHBondContact O-ND2 3.37Å
207L52.1Low49.4Very low13 Ų1358.5 Ų58.57%0.06828%0.282CS..Hα-helixtrans-64.6-43.1169.6-71.6171.2000110.8I177 I181 I203 I204 N210 I211I177-L207 HydrophobicContact CB-CD2 4.39Å; I177-L207 HydrophobicContact CD1-CD2 3.97Å; I177-L207 HydrophobicContact CG1-CD2 3.92Å; I177-L207 HydrophobicContact CG2-CD1 3.68Å; I177-L207 HydrophobicContact CG2-CD2 3.62Å; I177-L207 HydrophobicContact CG2-CG 4.28Å; I181-L207 HydrophobicContact CD1-CD1 4.05Å; I181-L207 HydrophobicContact CG1-CD1 4.33Å; I203-L207 HydrophobicContact CG2-CD1 3.86Å; I203-L207 HydrophobicContact CG2-CG 4.31Å; I203-L207 WeakPolarHBondContact O-CB 3.18Å; I203-L207 VanDerWaalsContact O-CG 3.26Å; I203-L207 WeakPolarHBondContact O-CG 3.35Å; I203-L207 PolarHBondContact O-N 3.07Å; I204-L207 PolarHBondContact O-N 3.28Å; L207-N210 CarbonylContact O-C 3.54Å; L207-N210 PolarHBondContact O-N 2.86Å; L207-N210 VanDerWaalsContact O-N 3.16Å; L207-I211 PolarHBondContact O-N 2.93Å
208Y51.5Low49Very low103 Ų10359.7 Ų59.740%0.40429%0.288SS..Hα-helixtrans-61.5-43.6177.2-177.4-95.8000112.2I204 Q205 N210 I211I204-Y208 WeakPolarHBondContact O-CB 3Å; I204-Y208 PolarHBondContact O-N 3.3Å; Q205-Y208 WeakPolarHBondContact O-CB 3.16Å; Q205-Y208 PolarHBondContact O-N 3.34Å; Y208-N210 VanDerWaalsContact C-N 3.25Å; Y208-N210 PolarHBondContact O-N 2.61Å; Y208-I211 HydrophobicContact CD2-CD1 3.47Å; Y208-I211 VanDerWaalsContact CD2-CD1 3.47Å; Y208-I211 HydrophobicContact CE2-CD1 4.05Å; Y208-I211 HydrophobicContact CG-CD1 4.06Å; Y208-I211 VanDerWaalsContact O-CB 3.26Å; Y208-I211 WeakPolarHBondContact O-CB 3.44Å; Y208-I211 WeakPolarHBondContact O-CG1 3.27Å; Y208-I211 PolarHBondContact O-N 3.16Å
209W50.5Low48.7Very low175 Ų17556 Ų5666%0.66327%0.269SS*.Hα-helixtrans-68.1-21.2175.5-65.6-16.8000113.9Q205 L206Q205-W209 PolarHBondContact O-N 2.73Å; L206-W209 HydrophobicContact CD2-CE3 4.26Å
210N48.7Very low48.5Very low27 Ų2757.4 Ų57.414%0.14428%0.277CS..THydrogen-bonded Turntrans-93.45.6174.3-77-87.6000113.8S168 L206 L207 Y208 N212 Y213S168-N210 WeakPolarHBondContact CB-OD1 3.42Å; S168-N210 PolarHBondContact OG-OD1 3.11Å; L206-N210 PolarHBondContact O-N 2.9Å; L206-N210 PolarHBondContact O-ND2 3.37Å; L207-N210 CarbonylContact O-C 3.54Å; L207-N210 PolarHBondContact O-N 2.86Å; L207-N210 VanDerWaalsContact O-N 3.16Å; Y208-N210 VanDerWaalsContact C-N 3.25Å; Y208-N210 PolarHBondContact O-N 2.61Å; N210-N212 PolarHBondContact O-N 2.78Å; N210-N212 VanDerWaalsContact O-N 3.07Å; N210-Y213 PolarHBondContact O-N 3.49Å
211I47.6Very low48.3Very low20 Ų2062.9 Ų62.910%0.10330%0.302CS..G310 helixtrans-55.9-26.2-179.4-82.4171.3000113.7L207 Y208 Y213 L214 I220L207-I211 PolarHBondContact O-N 2.93Å; Y208-I211 HydrophobicContact CD2-CD1 3.47Å; Y208-I211 VanDerWaalsContact CD2-CD1 3.47Å; Y208-I211 HydrophobicContact CE2-CD1 4.05Å; Y208-I211 HydrophobicContact CG-CD1 4.06Å; Y208-I211 VanDerWaalsContact O-CB 3.26Å; Y208-I211 WeakPolarHBondContact O-CB 3.44Å; Y208-I211 WeakPolarHBondContact O-CG1 3.27Å; Y208-I211 PolarHBondContact O-N 3.16Å; I211-Y213 PolarHBondContact O-N 3.05Å; I211-L214 HydrophobicContact CG1-CD1 4.47Å; I211-L214 PolarHBondContact O-N 3.17Å; I211-I220 HydrophobicContact CD1-CG1 4.16Å; I211-I220 HydrophobicContact CD1-CG2 4.23Å; I211-I220 HydrophobicContact CG1-CG1 4.45Å; I211-I220 HydrophobicContact CG2-CD1 3.54Å; I211-I220 HydrophobicContact CG2-CG1 3.78Å
212N42.3Very low48.2Very low141 Ų14163.6 Ų63.675%0.75430%0.303SS*.G310 helixtrans-61.3-7.2-179.3-68.1-18.5000114.6N210N210-N212 PolarHBondContact O-N 2.78Å; N210-N212 VanDerWaalsContact O-N 3.07Å
213Y45.8Very low48Very low179 Ų17961.7 Ų61.770%0.70229%0.292SS*.G310 helixtrans-109.2-0.7171.6-64.4-82.2000114.4N210 I211N210-Y213 PolarHBondContact O-N 3.49Å; I211-Y213 PolarHBondContact O-N 3.05Å
214L42.7Very low47.8Very low35 Ų3565.1 Ų65.118%0.18331%0.308CS..  trans-100.4117.7177-68.2173000110.2I177 I211 N216 I223I177-L214 HydrophobicContact CD1-CD2 4.45Å; I211-L214 HydrophobicContact CG1-CD1 4.47Å; I211-L214 PolarHBondContact O-N 3.17Å; L214-N216 PolarHBondContact O-N 2.98Å; L214-I223 HydrophobicContact CD1-CD1 4.39Å
215N42.2Very low48Very low118 Ų11869.4 Ų69.463%0.63132%0.324SS*.  trans-94.817.2-155.5-140.5-8.1000115
216N45.4Very low47.8Very low36 Ų3667.6 Ų67.619%0.19332%0.316CS..  trans-132.9135.1-179.3-51.2-47.6000112L214 N218 D219 P325L214-N216 PolarHBondContact O-N 2.98Å; N216-N218 HydrophobicContact CB-CB 4.42Å; N216-N218 PolarHBondContact O-N 3.39Å; N216-D219 HydrophobicContact CB-CB 4.24Å; N216-D219 WeakPolarHBondContact CB-OD1 3.38Å; N216-D219 VanDerWaalsContact ND2-CG 3.28Å; N216-D219 PolarHBondContact ND2-OD1 3.03Å; N216-D219 PolarHBondContact ND2-OD2 3.05Å; N216-D219 PolarHBondContact O-N 3.43Å; N216-P325 WeakPolarHBondContact OD1-CB 3.47Å; N216-P325 WeakPolarHBondContact OD1-CG 3.49Å
217S43.9Very low47.6Very low69 Ų6968.8 Ų68.848%0.48332%0.322SS..Hα-helixtrans-57.4-27.9163.951.20000113H221S217-H221 PolarHBondContact O-CD2 3.46Å; S217-H221 PolarHBondContact O-N 2.78Å
218N41.8Very low47.5Very low44 Ų4473 Ų7324%0.23534%0.337CS..Hα-helixtrans-74.2-34.3-177.9-50.4-17.6000111.5N216 I220 H221 Y222 N322N216-N218 HydrophobicContact CB-CB 4.42Å; N216-N218 PolarHBondContact O-N 3.39Å; N218-I220 VanDerWaalsContact C-N 3.33Å; N218-H221 PolarHBondContact O-N 3.06Å; N218-Y222 WeakPolarHBondContact O-CB 3.36Å; N218-Y222 PolarHBondContact O-N 3.4Å; N218-N322 PolarHBondContact ND2-O 3.27Å; N218-N322 VanDerWaalsContact ND2-O 3.17Å
219D45.7Very low47.5Very low19 Ų1971.4 Ų71.410%0.10233%0.334CS..Hα-helixtrans-64.7-43175.8-60.63.6000109.4F174 N216 Y222 I223F174-D219 HydrophobicContact CD2-CB 3.93Å; F174-D219 HydrophobicContact CE2-CB 3.57Å; F174-D219 HydrophobicContact CZ-CB 4.07Å; N216-D219 HydrophobicContact CB-CB 4.24Å; N216-D219 WeakPolarHBondContact CB-OD1 3.38Å; N216-D219 VanDerWaalsContact ND2-CG 3.28Å; N216-D219 PolarHBondContact ND2-OD1 3.03Å; N216-D219 PolarHBondContact ND2-OD2 3.05Å; N216-D219 PolarHBondContact O-N 3.43Å; D219-Y222 PolarHBondContact O-N 3.31Å; D219-I223 WeakPolarHBondContact O-CB 3.31Å; D219-I223 VanDerWaalsContact O-CG1 3.26Å; D219-I223 WeakPolarHBondContact O-CG1 3.09Å; D219-I223 PolarHBondContact O-N 3.12Å
220I47.7Very low47.5Very low45 Ų4564.5 Ų64.523%0.23131%0.309CS..Hα-helixtrans-61.6-48.5174.7-56.6174.1000110.5I211 N218 I223 Q224I211-I220 HydrophobicContact CD1-CG1 4.16Å; I211-I220 HydrophobicContact CD1-CG2 4.23Å; I211-I220 HydrophobicContact CG1-CG1 4.45Å; I211-I220 HydrophobicContact CG2-CD1 3.54Å; I211-I220 HydrophobicContact CG2-CG1 3.78Å; N218-I220 VanDerWaalsContact C-N 3.33Å; I220-I223 PolarHBondContact O-N 2.89Å; I220-Q224 WeakPolarHBondContact O-CB 3.2Å; I220-Q224 VanDerWaalsContact O-CG 3.27Å; I220-Q224 WeakPolarHBondContact O-CG 3.41Å; I220-Q224 PolarHBondContact O-N 3.46Å
221H48.5Very low47.6Very low118 Ų11864 Ų6455%0.54631%0.306SS..Hα-helixtrans-67.9-34.9179.3-74.8-36.4000113.6S217 N218 Q224 Y225S217-H221 PolarHBondContact O-CD2 3.46Å; S217-H221 PolarHBondContact O-N 2.78Å; N218-H221 PolarHBondContact O-N 3.06Å; H221-Q224 PolarHBondContact ND1-OE1 3.34Å; H221-Q224 PolarHBondContact O-N 3.02Å; H221-Y225 WeakPolarHBondContact O-CB 3.45Å; H221-Y225 PolarHBondContact O-N 3.1Å
222Y49.6Very low47.7Very low49 Ų4965.5 Ų65.519%0.19231%0.314CS..Hα-helixtrans-66.9-43173.6178-94.9000111.3F174 L178 N218 D219 Q224 Y225 E226F174-Y222 AromaticContact CZ-CD1 3.92Å; F174-Y222 HydrophobicContact CZ-CD1 3.92Å; L178-Y222 HydrophobicContact CD1-CD1 4.01Å; L178-Y222 HydrophobicContact CD1-CE1 3.4Å; L178-Y222 VanDerWaalsContact CD1-CE1 3.4Å; L178-Y222 HydrophobicContact CD2-CE1 4.5Å; L178-Y222 HydrophobicContact CG-CE1 3.74Å; N218-Y222 WeakPolarHBondContact O-CB 3.36Å; N218-Y222 PolarHBondContact O-N 3.4Å; D219-Y222 PolarHBondContact O-N 3.31Å; Y222-Q224 PolarHBondContact O-N 3.2Å; Y222-Y225 PolarHBondContact O-N 2.65Å; Y222-E226 HydrophobicContact CD1-CG 4.3Å; Y222-E226 HydrophobicContact CE1-CG 3.66Å; Y222-E226 HydrophobicContact CE2-CG 4.01Å; Y222-E226 VanDerWaalsContact CZ-CG 3.48Å; Y222-E226 PolarHBondContact O-N 3.01Å; Y222-E226 WeakPolarHBondContact OH-CG 3.11Å; Y222-E226 PolarHBondContact OH-OE1 3.27Å
223I49.4Very low47.9Very low4 Ų462.6 Ų62.62%0.02130%0.299CS..Hα-helixtrans-58.6-47.8172.2-72.4167.8000110.2F174 L214 D219 I220 Y225 E226 I227F174-I223 HydrophobicContact CE2-CD1 4.19Å; F174-I223 HydrophobicContact CE2-CG1 4.36Å; L214-I223 HydrophobicContact CD1-CD1 4.39Å; D219-I223 WeakPolarHBondContact O-CB 3.31Å; D219-I223 VanDerWaalsContact O-CG1 3.26Å; D219-I223 WeakPolarHBondContact O-CG1 3.09Å; D219-I223 PolarHBondContact O-N 3.12Å; I220-I223 PolarHBondContact O-N 2.89Å; I223-Y225 VanDerWaalsContact C-N 3.29Å; I223-Y225 PolarHBondContact O-N 3.19Å; I223-E226 PolarHBondContact O-N 3.48Å; I223-I227 HydrophobicContact CG2-CD1 3.61Å; I223-I227 HydrophobicContact CG2-CG1 4.45Å; I223-I227 WeakPolarHBondContact O-CB 3.19Å; I223-I227 VanDerWaalsContact O-CD1 3.27Å; I223-I227 WeakPolarHBondContact O-CD1 3.08Å; I223-I227 WeakPolarHBondContact O-CG1 3.3Å; I223-I227 PolarHBondContact O-N 3.47Å
224Q51Low47.8Very low85 Ų8555.8 Ų55.840%0.39727%0.272SS..Hα-helixtrans-59.4-35175.5-74.2170.4-21.700113.4I220 H221 Y222 Y228I220-Q224 WeakPolarHBondContact O-CB 3.2Å; I220-Q224 VanDerWaalsContact O-CG 3.27Å; I220-Q224 WeakPolarHBondContact O-CG 3.41Å; I220-Q224 PolarHBondContact O-N 3.46Å; H221-Q224 PolarHBondContact ND1-OE1 3.34Å; H221-Q224 PolarHBondContact O-N 3.02Å; Y222-Q224 PolarHBondContact O-N 3.2Å; Q224-Y228 WeakPolarHBondContact O-CB 3.22Å; Q224-Y228 PolarHBondContact O-N 2.89Å
225Y54.8Low47.7Very low110 Ų11057 Ų5743%0.43128%0.279SS..Hα-helixtrans-75.6-42.8178.9179.6-100.1000113.1H221 Y222 I223 I227 Y228 E229 T366H221-Y225 WeakPolarHBondContact O-CB 3.45Å; H221-Y225 PolarHBondContact O-N 3.1Å; Y222-Y225 PolarHBondContact O-N 2.65Å; I223-Y225 VanDerWaalsContact C-N 3.29Å; I223-Y225 PolarHBondContact O-N 3.19Å; Y225-I227 VanDerWaalsContact C-N 3.28Å; Y225-I227 PolarHBondContact O-N 3.31Å; Y225-Y228 WeakPolarHBondContact O-CB 3.25Å; Y225-Y228 PolarHBondContact O-N 3.09Å; Y225-Y228 VanDerWaalsContact O-N 3.15Å; Y225-E229 HydrophobicContact CE1-CG 4.3Å; Y225-E229 PolarHBondContact O-N 3.49Å; Y225-T366 HydrophobicContact CE1-CG2 4.43Å
226E49.3Very low47.5Very low21 Ų2156.8 Ų56.810%0.09828%0.276CS..Hα-helixtrans-63.2-36.3172.4-74.6-73.5171.600111.4K185 Y222 I223 E229 I230K185-E226 WeakPolarHBondContact CD-OE2 3.3Å; K185-E226 IonicContact NZ-OE1 2.69Å; K185-E226 IonicContact NZ-OE2 3.21Å; K185-E226 PolarHBondContact NZ-OE2 3.1Å; Y222-E226 HydrophobicContact CD1-CG 4.3Å; Y222-E226 HydrophobicContact CE1-CG 3.66Å; Y222-E226 HydrophobicContact CE2-CG 4.01Å; Y222-E226 VanDerWaalsContact CZ-CG 3.48Å; Y222-E226 PolarHBondContact O-N 3.01Å; Y222-E226 WeakPolarHBondContact OH-CG 3.11Å; Y222-E226 PolarHBondContact OH-OE1 3.27Å; I223-E226 PolarHBondContact O-N 3.48Å; E226-E229 PolarHBondContact O-N 3.18Å; E226-I230 WeakPolarHBondContact O-CD1 3.15Å; E226-I230 VanDerWaalsContact O-CG1 3.24Å; E226-I230 WeakPolarHBondContact O-CG1 3.22Å; E226-I230 PolarHBondContact O-N 2.97Å
227I49.9Very low47.1Very low34 Ų3459.3 Ų59.317%0.17429%0.289CS..Hα-helixtrans-60.1-47.3170.1-71.1164.9000110.9I204 I223 Y225 E229 I230 F231I204-I227 HydrophobicContact CD1-CG1 4.1Å; I204-I227 HydrophobicContact CG1-CG1 4.26Å; I204-I227 HydrophobicContact CG2-CD1 3.44Å; I204-I227 VanDerWaalsContact CG2-CD1 3.44Å; I204-I227 HydrophobicContact CG2-CG1 3.7Å; I223-I227 HydrophobicContact CG2-CD1 3.61Å; I223-I227 HydrophobicContact CG2-CG1 4.45Å; I223-I227 WeakPolarHBondContact O-CB 3.19Å; I223-I227 VanDerWaalsContact O-CD1 3.27Å; I223-I227 WeakPolarHBondContact O-CD1 3.08Å; I223-I227 WeakPolarHBondContact O-CG1 3.3Å; I223-I227 PolarHBondContact O-N 3.47Å; Y225-I227 VanDerWaalsContact C-N 3.28Å; Y225-I227 PolarHBondContact O-N 3.31Å; I227-E229 PolarHBondContact O-N 3.27Å; I227-I230 PolarHBondContact O-N 3.2Å; I227-F231 HydrophobicContact CG2-CD2 3.58Å; I227-F231 HydrophobicContact CG2-CE2 3.51Å; I227-F231 VanDerWaalsContact O-CD2 3.31Å; I227-F231 WeakPolarHBondContact O-CD2 3.09Å; I227-F231 PolarHBondContact O-N 2.88Å
228Y50.3Low46.8Very low102 Ų10259.8 Ų59.840%0.429%0.286SS..Hα-helixtrans-59.7-43.2177.8179.3-97.8000112.4Q224 Y225 F231 N232 Y254Q224-Y228 WeakPolarHBondContact O-CB 3.22Å; Q224-Y228 PolarHBondContact O-N 2.89Å; Y225-Y228 WeakPolarHBondContact O-CB 3.25Å; Y225-Y228 PolarHBondContact O-N 3.09Å; Y225-Y228 VanDerWaalsContact O-N 3.15Å; Y228-F231 PolarHBondContact O-N 3.42Å; Y228-N232 WeakPolarHBondContact CE1-ND2 3.24Å; Y228-N232 WeakPolarHBondContact O-CB 3.13Å; Y228-N232 PolarHBondContact O-N 2.81Å; Y228-N232 PolarHBondContact OH-ND2 2.89Å; Y228-Y254 AromaticContact CD2-CE1 3.68Å; Y228-Y254 HydrophobicContact CD2-CE1 3.68Å; Y228-Y254 AromaticContact CD2-CZ 3.82Å; Y228-Y254 WeakPolarHBondContact CD2-OH 3.4Å; Y228-Y254 AromaticContact CE2-CE1 3.73Å; Y228-Y254 HydrophobicContact CE2-CE1 3.73Å; Y228-Y254 AromaticContact CE2-CZ 3.92Å; Y228-Y254 WeakPolarHBondContact CE2-OH 3.14Å
229E51.1Low46.5Very low69 Ų6963.8 Ų63.832%0.32231%0.307SS..Hα-helixtrans-61.5-45.4172.6-89.7-126.3122.200112.8K185 Y225 E226 I227 F231 N232 N233K185-E229 IonicContact NZ-OE2 2.84Å; K185-E229 PolarHBondContact NZ-OE2 2.64Å; Y225-E229 HydrophobicContact CE1-CG 4.3Å; Y225-E229 PolarHBondContact O-N 3.49Å; E226-E229 PolarHBondContact O-N 3.18Å; I227-E229 PolarHBondContact O-N 3.27Å; E229-F231 VanDerWaalsContact C-N 3.3Å; E229-F231 PolarHBondContact O-N 3.38Å; E229-N232 PolarHBondContact O-N 2.88Å; E229-N233 PolarHBondContact O-N 3.17Å; E229-N233 PolarHBondContact O-ND2 2.91Å
230I50.6Low46Very low29 Ų2969.5 Ų69.515%0.14934%0.338CS..Hα-helixtrans-61.9-40.8179.4-70.2164.5000110.4I204 E226 I227 Y234I204-I230 HydrophobicContact CD1-CD1 4.3Å; E226-I230 WeakPolarHBondContact O-CD1 3.15Å; E226-I230 VanDerWaalsContact O-CG1 3.24Å; E226-I230 WeakPolarHBondContact O-CG1 3.22Å; E226-I230 PolarHBondContact O-N 2.97Å; I227-I230 PolarHBondContact O-N 3.2Å; I230-Y234 PolarHBondContact O-N 3.45Å; I230-Y234 VanDerWaalsContact O-N 3.13Å
231F50.3Low45.3Very low17 Ų1774 Ų748%0.07536%0.362CS..Hα-helixtrans-69.3-39.1174.7-80-56.8000113.8L201 I227 Y228 E229 N233 Y234 N235 Y250 Y253L201-F231 HydrophobicContact CD2-CE1 4.01Å; L201-F231 HydrophobicContact CD2-CE2 4.42Å; L201-F231 HydrophobicContact CD2-CZ 3.59Å; I227-F231 HydrophobicContact CG2-CD2 3.58Å; I227-F231 HydrophobicContact CG2-CE2 3.51Å; I227-F231 VanDerWaalsContact O-CD2 3.31Å; I227-F231 WeakPolarHBondContact O-CD2 3.09Å; I227-F231 PolarHBondContact O-N 2.88Å; Y228-F231 PolarHBondContact O-N 3.42Å; E229-F231 VanDerWaalsContact C-N 3.3Å; E229-F231 PolarHBondContact O-N 3.38Å; F231-N233 PolarHBondContact O-N 3.18Å; F231-Y234 WeakPolarHBondContact O-CB 3.34Å; F231-Y234 PolarHBondContact O-N 2.72Å; F231-N235 PolarHBondContact O-N 3.17Å; F231-N235 VanDerWaalsContact O-N 3.08Å; F231-Y250 HydrophobicContact CD1-CD1 4.26Å; F231-Y250 AromaticContact CD1-CE1 3.76Å; F231-Y250 HydrophobicContact CD1-CE1 3.76Å; F231-Y250 HydrophobicContact CE1-CD1 4.44Å; F231-Y250 AromaticContact CE1-CE1 3.93Å; F231-Y250 HydrophobicContact CE1-CE1 3.93Å; F231-Y253 HydrophobicContact CZ-CG 4.47Å
232N49.5Very low44.2Very low52 Ų5275.1 Ų75.128%0.27837%0.372SS..Hα-helixtrans-66.4-38.5177.3-85.5-4.1000112.2Y228 E229 Y234 N235 I236Y228-N232 WeakPolarHBondContact CE1-ND2 3.24Å; Y228-N232 WeakPolarHBondContact O-CB 3.13Å; Y228-N232 PolarHBondContact O-N 2.81Å; Y228-N232 PolarHBondContact OH-ND2 2.89Å; E229-N232 PolarHBondContact O-N 2.88Å; N232-Y234 VanDerWaalsContact C-N 3.3Å; N232-Y234 PolarHBondContact O-N 3.36Å; N232-N235 PolarHBondContact O-N 3.24Å; N232-I236 WeakPolarHBondContact O-CG1 3.28Å; N232-I236 PolarHBondContact O-N 3.43Å
233N47.2Very low43.1Very low80 Ų8079.3 Ų79.343%0.42840%0.398SS..Hα-helixtrans-65.2-34.2172.4-75.1-80.4000112E229 F231 N235 I236 I237E229-N233 PolarHBondContact O-N 3.17Å; E229-N233 PolarHBondContact O-ND2 2.91Å; F231-N233 PolarHBondContact O-N 3.18Å; N233-N235 VanDerWaalsContact C-N 3.33Å; N233-N235 PolarHBondContact O-N 2.78Å; N233-I236 PolarHBondContact O-N 2.81Å; N233-I237 VanDerWaalsContact O-CG1 3.31Å; N233-I237 WeakPolarHBondContact O-CG1 3.3Å; N233-I237 PolarHBondContact O-N 3.26Å; N233-I237 VanDerWaalsContact O-N 3.17Å
234Y43.8Very low42Very low36 Ų3686.5 Ų86.514%0.14144%0.437CS..Hα-helixtrans-58.1-44.1171.8-155.7-71.7000111.4Q197 I230 F231 N232 N238 Y250Q197-Y234 HydrophobicContact CB-CE2 4.12Å; Q197-Y234 VanDerWaalsContact CD-CD2 3.42Å; Q197-Y234 HydrophobicContact CG-CD2 4.3Å; Q197-Y234 HydrophobicContact CG-CE2 4.13Å; I230-Y234 PolarHBondContact O-N 3.45Å; I230-Y234 VanDerWaalsContact O-N 3.13Å; F231-Y234 WeakPolarHBondContact O-CB 3.34Å; F231-Y234 PolarHBondContact O-N 2.72Å; N232-Y234 VanDerWaalsContact C-N 3.3Å; N232-Y234 PolarHBondContact O-N 3.36Å; Y234-N238 WeakPolarHBondContact CD1-ND2 3.47Å; Y234-N238 WeakPolarHBondContact CE1-ND2 3.44Å; Y234-N238 VanDerWaalsContact O-CG 3.29Å; Y234-N238 PolarHBondContact O-N 3.3Å; Y234-N238 PolarHBondContact O-ND2 3.47Å; Y234-Y250 HydrophobicContact CD1-CE1 4.41Å; Y234-Y250 WeakPolarHBondContact CD1-OH 3.47Å; Y234-Y250 WeakPolarHBondContact CE1-OH 3.44Å; Y234-Y250 VanDerWaalsContact CZ-OH 3.29Å
235N39.1Very low40.9Very low61 Ų6188.2 Ų88.233%0.32645%0.447SS..Hα-helixtrans-72.1-39.3-179.6-66.9-15.5000112.8F231 N232 N233 I237 N238 N239F231-N235 PolarHBondContact O-N 3.17Å; F231-N235 VanDerWaalsContact O-N 3.08Å; N232-N235 PolarHBondContact O-N 3.24Å; N233-N235 VanDerWaalsContact C-N 3.33Å; N233-N235 PolarHBondContact O-N 2.78Å; N235-I237 VanDerWaalsContact C-N 3.28Å; N235-I237 PolarHBondContact O-N 3.02Å; N235-N238 PolarHBondContact O-N 2.94Å; N235-N239 WeakPolarHBondContact O-CB 3.13Å; N235-N239 PolarHBondContact O-N 3.32Å; N235-N239 VanDerWaalsContact O-N 3.08Å; N235-N239 PolarHBondContact O-ND2 3.43Å; N235-N239 PolarHBondContact O-OD1 2.83Å
236I38.3Very low39.7Very low113 Ų11388.3 Ų88.358%0.57946%0.455SS*.Hα-helixtrans-62.5-37.1176.9-68.8165.1000111.3N232 N233N232-I236 WeakPolarHBondContact O-CG1 3.28Å; N232-I236 PolarHBondContact O-N 3.43Å; N233-I236 PolarHBondContact O-N 2.81Å
237I36.6Very low38.6Very low88 Ų8893.5 Ų93.545%0.45148%0.483SS..Hα-helixtrans-74.3-40.2179.8-67.5170.4000111.4L193 N233 N235L193-I237 HydrophobicContact CD1-CD1 3.71Å; L193-I237 HydrophobicContact CD1-CG2 4.16Å; N233-I237 VanDerWaalsContact O-CG1 3.31Å; N233-I237 WeakPolarHBondContact O-CG1 3.3Å; N233-I237 PolarHBondContact O-N 3.26Å; N233-I237 VanDerWaalsContact O-N 3.17Å; N235-I237 VanDerWaalsContact C-N 3.28Å; N235-I237 PolarHBondContact O-N 3.02Å
238N37.7Very low37.5Very low79 Ų7997.5 Ų97.542%0.42251%0.505SS..Hα-helixtrans-76.6-22.8-178.8-65.9-15.7000114.4Y234 N235 N240 D241Y234-N238 WeakPolarHBondContact CD1-ND2 3.47Å; Y234-N238 WeakPolarHBondContact CE1-ND2 3.44Å; Y234-N238 VanDerWaalsContact O-CG 3.29Å; Y234-N238 PolarHBondContact O-N 3.3Å; Y234-N238 PolarHBondContact O-ND2 3.47Å; N235-N238 PolarHBondContact O-N 2.94Å; N238-N240 PolarHBondContact O-N 3.23Å; N238-N240 VanDerWaalsContact O-N 3.12Å; N238-D241 PolarHBondContact O-N 2.85Å; N238-D241 VanDerWaalsContact O-N 3.16Å
239N36.1Very low36.4Very low128 Ų12898 Ų9868%0.68452%0.515SS*.THydrogen-bonded Turntrans-67.7-9.3-178.1-79.5-8.5000114.5N235N235-N239 WeakPolarHBondContact O-CB 3.13Å; N235-N239 PolarHBondContact O-N 3.32Å; N235-N239 VanDerWaalsContact O-N 3.08Å; N235-N239 PolarHBondContact O-ND2 3.43Å; N235-N239 PolarHBondContact O-OD1 2.83Å
240N36Very low35.3Very low139 Ų13997.5 Ų97.574%0.74351%0.51SS*.THydrogen-bonded Turntrans-94.4-22.4173.3-72.3-24.6000113.5N238N238-N240 PolarHBondContact O-N 3.23Å; N238-N240 VanDerWaalsContact O-N 3.12Å
241D32.5Very low34.1Very low139 Ų139100.7 Ų100.774%0.74353%0.528SS*.SBendtrans-105.589178.7-81.9-32.5000110.2N238 N243N238-D241 PolarHBondContact O-N 2.85Å; N238-D241 VanDerWaalsContact O-N 3.16Å; D241-N243 PolarHBondContact O-N 2.96Å
242N25.8Very low32.9Very low142 Ų142105 Ų10576%0.75955%0.551SS**  trans-57.5111.4173.3-71.1-63.3000110.9
243N26.8Very low31.9Very low138 Ų138108.8 Ų108.874%0.73856%0.563SS**  166.9128.8120.9-81.7-42.1000113.1D241D241-N243 PolarHBondContact O-N 2.96Å
244N26.4Very low31Very low155 Ų155110.5 Ų110.583%0.82956%0.564SS**  trans50.176.3148.5-56.4-12.3000119.2
245I27.8Very low30.2Very low121 Ų121117.6 Ų117.662%0.62159%0.592SS**  trans-133.8135.3147.5-59.4-177.5000108N247I245-N247 PolarHBondContact O-N 2.84Å
246D28.3Very low29.6Very low112 Ų112121.4 Ų121.460%0.59961%0.611SS**  trans-64.9120.5-161.8-64.6-76000116.4N248 N249D246-N248 PolarHBondContact O-N 2.92Å; D246-N249 PolarHBondContact O-N 3.33Å
247N26.7Very low28.9Very low129 Ų129121.7 Ų121.769%0.6961%0.614SS**THydrogen-bonded Turntrans-57.8-17.2170.2-74.3-42.1000113.9I245 N249 Y250 N251I245-N247 PolarHBondContact O-N 2.84Å; N247-N249 PolarHBondContact O-N 3.47Å; N247-Y250 PolarHBondContact O-N 3.3Å; N247-N251 PolarHBondContact O-ND2 3.34Å
248N26.5Very low28.3Very low118 Ų118124.3 Ų124.363%0.63163%0.628SS**Hα-helixtrans-70.4-31.7-174.7-67.7-24.1000113.5D246D246-N248 PolarHBondContact O-N 2.92Å
249N28Very low27.6Very low112 Ų112127.1 Ų127.160%0.59964%0.644SS**Hα-helixtrans-75.4-24.5177.5-81-31.5000113.1D246 N247 Y253D246-N249 PolarHBondContact O-N 3.33Å; N247-N249 PolarHBondContact O-N 3.47Å; N249-Y253 WeakPolarHBondContact O-CD2 3.5Å
250Y26.5Very low27.1Very low59 Ų59127.9 Ų127.923%0.23165%0.648CS.*Hα-helixtrans-73-33.7-179.3-83.5-99.8000112.6F231 Y234 N247 N252F231-Y250 HydrophobicContact CD1-CD1 4.26Å; F231-Y250 AromaticContact CD1-CE1 3.76Å; F231-Y250 HydrophobicContact CD1-CE1 3.76Å; F231-Y250 HydrophobicContact CE1-CD1 4.44Å; F231-Y250 AromaticContact CE1-CE1 3.93Å; F231-Y250 HydrophobicContact CE1-CE1 3.93Å; Y234-Y250 HydrophobicContact CD1-CE1 4.41Å; Y234-Y250 WeakPolarHBondContact CD1-OH 3.47Å; Y234-Y250 WeakPolarHBondContact CE1-OH 3.44Å; Y234-Y250 VanDerWaalsContact CZ-OH 3.29Å; N247-Y250 PolarHBondContact O-N 3.3Å; Y250-N252 PolarHBondContact O-N 3Å
251N25.6Very low26.6Very low96 Ų96131.1 Ų131.151%0.51365%0.651SS.*Hα-helixtrans-70.5-28.6-179-70.8-39000113.6N247 Y253 Y254N247-N251 PolarHBondContact O-ND2 3.34Å; N251-Y253 VanDerWaalsContact C-N 3.31Å; N251-Y253 PolarHBondContact O-N 3Å; N251-Y254 PolarHBondContact O-N 3.42Å
252N26.7Very low26.2Very low107 Ų107131.9 Ų131.957%0.57266%0.655SS**Hα-helixtrans-67.7-28.2179.8-76.9-18.4000113.3Y250 Y254 Y255Y250-N252 PolarHBondContact O-N 3Å; N252-Y254 PolarHBondContact O-N 3.03Å; N252-Y255 PolarHBondContact O-N 3.35Å
253Y28Very low26.1Very low132 Ų132132 Ų13252%0.51866%0.656SS.*THydrogen-bonded Turntrans-71-15175.4-78.7-82.8000113.8Q205 F231 N249 N251Q205-Y253 PolarHBondContact NE2-OH 2.79Å; Q205-Y253 VanDerWaalsContact NE2-OH 3.08Å; F231-Y253 HydrophobicContact CZ-CG 4.47Å; N249-Y253 WeakPolarHBondContact O-CD2 3.5Å; N251-Y253 VanDerWaalsContact C-N 3.31Å; N251-Y253 PolarHBondContact O-N 3Å
254Y27.5Very low26.1Very low116 Ų116132.5 Ų132.546%0.45566%0.657SS.*THydrogen-bonded Turntrans-93.3-9178.4-81-89.6000114.4Y228 N251 N252Y228-Y254 AromaticContact CD2-CE1 3.68Å; Y228-Y254 HydrophobicContact CD2-CE1 3.68Å; Y228-Y254 AromaticContact CD2-CZ 3.82Å; Y228-Y254 WeakPolarHBondContact CD2-OH 3.4Å; Y228-Y254 AromaticContact CE2-CE1 3.73Å; Y228-Y254 HydrophobicContact CE2-CE1 3.73Å; Y228-Y254 AromaticContact CE2-CZ 3.92Å; Y228-Y254 WeakPolarHBondContact CE2-OH 3.14Å; N251-Y254 PolarHBondContact O-N 3.42Å; N252-Y254 PolarHBondContact O-N 3.03Å
255Y26.7Very low26.1Very low186 Ų186132.2 Ų132.273%0.72966%0.655SS**  trans-118.10.7-163.9-99.5-81.2000116.6N252 N257N252-Y255 PolarHBondContact O-N 3.35Å; Y255-N257 VanDerWaalsContact C-N 3.26Å; Y255-N257 PolarHBondContact O-N 3.04Å
256I26.2Very low25.9Very low140 Ų140132.9 Ų132.972%0.71866%0.66SS**  trans-7779.3177.6-51.3-177.7000109.9
257N24Very low25.7Very low119 Ų119134 Ų13464%0.63667%0.666SS**  trans-126.6126.6-178.1-154.2-0.7000109.8Y255 N259Y255-N257 VanDerWaalsContact C-N 3.26Å; Y255-N257 PolarHBondContact O-N 3.04Å; N257-N259 VanDerWaalsContact C-N 3.34Å; N257-N259 PolarHBondContact O-N 3.1Å
258N24.5Very low25.6Very low143 Ų143139.2 Ų139.277%0.76568%0.678SS**SBendtrans59.3-32.5170.2-62.2-22.2000121.9
259N23.8Very low25.4Very low139 Ų139143 Ų14374%0.74368%0.684SS**  trans-99.4-16.1-155.2-78.216.8000119.5N257N257-N259 VanDerWaalsContact C-N 3.34Å; N257-N259 PolarHBondContact O-N 3.1Å
260N25.5Very low25.1Very low143 Ų143146.9 Ų146.977%0.76569%0.692SS**  trans-113.142.9-172.3-74.513.6000114.6D262N260-D262 PolarHBondContact O-N 3.36Å
261Y24.8Very low24.9Very low207 Ų207153.2 Ų153.281%0.81272%0.717SS**SBendtrans-75.2109.4148.3-88-99.4000107.1
262D24.7Very low24.7Very low155 Ų155154.8 Ų154.883%0.82973%0.725SS**SBendtrans158.4-18.6147.2-84.6-11.1000113.6N260N260-D262 PolarHBondContact O-N 3.36Å
263N24.1Very low24.5Very low145 Ų145158.5 Ų158.578%0.77573%0.733SS**  trans-131.7159.9-179.3-87.4-68000113.7
264I26.6Very low24.3Very low148 Ų148158.1 Ų158.176%0.75974%0.739SS**  trans80.749.6-171.5-42.3167.7000113.4
265N25.1Very low24.1Very low150 Ų150159.2 Ų159.280%0.80275%0.753SS**  trans-76.9151.4130.9-97.6-41.9000108.2
266N24.2Very low24Very low135 Ų135157.1 Ų157.172%0.72275%0.753SS**  trans69.8130.3-174.9-43.7-32.9000112.2
267N23.3Very low23.8Very low134 Ų134157.2 Ų157.272%0.71776%0.755SS**  cis-134.4129.326.6-81-41000114
268Y25.3Very low23.9Very low239 Ų239157.2 Ų157.294%0.93776%0.755SS**SBendtrans-128.744.7141.8-129.4-74.8000110.6
269Y21.5Very low23.9Very low198 Ų198156 Ų15678%0.77675%0.749SS**SBendtrans-129.7119.1165.5-88-78.6000109.1
270Y22.1Very low24.1Very low193 Ų193158.5 Ų158.576%0.75775%0.749SS**  trans50135.2151.4-97.5-129.3000122.1
271Y22Very low24.2Very low193 Ų193157.4 Ų157.476%0.75774%0.743SS**  trans60.6110.9159.7-73.1-58.7000121.6
272N22.1Very low24.4Very low129 Ų129154 Ų15469%0.6974%0.739SS**  72.7156113.8-137.44.4000121.5
273Y22.8Very low24.4Very low184 Ų184155.6 Ų155.672%0.72274%0.735SS**  trans60.597.8171.3-80.9-89.3000119.9
274N23.1Very low24.5Very low124 Ų124154.4 Ų154.466%0.66373%0.729SS**  45.3122.3117-55.9-3.1000121.1
275N23.1Very low24.5Very low140 Ų140153.4 Ų153.475%0.74973%0.725SS**  trans78.4128.9130.8-76.72.1000122.4
276I24.4Very low24.5Very low142 Ų142152.3 Ų152.373%0.72872%0.719SS**  trans77.389.9142.1-59.5164000117
277N23.9Very low24.6Very low141 Ų141152.1 Ų152.175%0.75472%0.718SS**  52.5140116.2-70.620.9000123.4
278N24.4Very low24.8Very low119 Ų119151.1 Ų151.164%0.63671%0.713SS**  trans86.7109.4136.4-82.548.1000121.7
279D25.4Very low24.7Very low119 Ų119145.1 Ų145.164%0.63670%0.697SS**  122.5111.7111-74-16.7000121.2
280Y26.7Very low24.8Very low190 Ų190142.1 Ų142.175%0.74569%0.694SS**  trans64.2113140.9-76.9-97.7000123.3
281N29.3Very low24.9Very low120 Ų120141.5 Ų141.564%0.64269%0.692SS**  41133.7123.4-56.93.8000121.1
282N27.5Very low25.1Very low135 Ų135142.6 Ų142.672%0.72270%0.696SS**  -174.6139.798-97.3-35.4000117.1
283Y25.3Very low25.2Very low190 Ų190143.5 Ų143.575%0.74570%0.701SS**  trans55.6124.4141-77.8-58.5000125
284N27.1Very low25.2Very low120 Ų120142.8 Ų142.864%0.64271%0.708SS**  95.2126.1120.5-84-13.7000123.8
285N25.8Very low25.2Very low127 Ų127142.2 Ų142.268%0.67971%0.705SS**  103.7140.4121-83.4-7.6000122.8
286N25.9Very low25.3Very low127 Ų127142.7 Ų142.768%0.67971%0.707SS**  trans83107.1146.7-65.9-5.6000121.3
287N25.6Very low25.3Very low130 Ų130142.1 Ų142.170%0.69571%0.705SS**  68.2155.6118.3-71.933.3000119.9
288D26.5Very low25.3Very low114 Ų114144.9 Ų144.961%0.6171%0.707SS**  cis-158.8158.76-122.5-29.4000114
289N24Very low25.4Very low113 Ų113147.7 Ų147.760%0.60471%0.71SS**  trans45.6124145.7-61.3-42.5000123.1
290N24.4Very low25.3Very low135 Ų135152.6 Ų152.672%0.72272%0.721SS**  -177.9130.589.5-89.8-57.6000114.9
291Y22.8Very low25.2Very low179 Ų179152.6 Ų152.670%0.70273%0.725SS**  trans27122.6151.8-62.6-100.8000120.4
292Y27.1Very low25Very low217 Ų217155 Ų15585%0.85173%0.732SS**  -15915253.7-99-75.4000113.6
293N23.6Very low25Very low148 Ų148153.4 Ų153.479%0.79172%0.723SS**  trans-78.6142.1-173.5-75.9-50000115.7
294I24.1Very low24.9Very low169 Ų169148.9 Ų148.987%0.86772%0.719SS**  -159.4140.8122.3-97.6151.9000108.3
295N22.1Very low24.8Very low112 Ų112149.4 Ų149.460%0.59972%0.722SS**  trans-71.4138.7-161.5-86.5-32.9000116.1
296N24.9Very low24.8Very low149 Ų149153.6 Ų153.680%0.79773%0.729SS**  trans-147.216135.1-113.4-10.4000114.2Y298N296-Y298 PolarHBondContact O-N 3.03Å
297N24.9Very low24.7Very low130 Ų130150.7 Ų150.770%0.69573%0.73SS**G310 helixtrans-71.713.4-177.1-84.2-5.9000115.5Y299N297-Y299 VanDerWaalsContact C-N 3.25Å; N297-Y299 PolarHBondContact O-N 3.2Å
298Y24.4Very low24.6Very low199 Ų199154.5 Ų154.578%0.7874%0.736SS**G310 helixtrans-74.9-4.6-173.9-104.8-83.5000115.5N296N296-Y298 PolarHBondContact O-N 3.03Å
299Y25.6Very low24.7Very low179 Ų179158.4 Ų158.470%0.70275%0.747SS**G310 helixtrans-108.7-5.7-179.3-92.3-77.4000115.6N297N297-Y299 VanDerWaalsContact C-N 3.25Å; N297-Y299 PolarHBondContact O-N 3.2Å
300Y24.6Very low24.8Very low221 Ų221160.1 Ų160.187%0.86776%0.756SS**SBendtrans-104.61.8-172.7-95.5-88000115.3
301K24Very low24.8Very low191 Ų191158.3 Ų158.383%0.8375%0.747SS**SBendtrans-122.739.3-169.3-151.3177.2-175.9179.40114.3
302Q25Very low25Very low170 Ų170156.6 Ų156.679%0.79475%0.749SS**SBendtrans-146.812.1-176.9-131.3177.117.600115.7
303I27.1Very low25Very low102 Ų102152.6 Ų152.652%0.52374%0.743SS.*SBendtrans-134.946.8178.8-38179.4000110.9
304S24.1Very low25.2Very low95 Ų95148.8 Ų148.866%0.66472%0.722SS**SBendtrans-96.4-31.3169.529.70000112.6
305D25Very low25.3Very low131 Ų131147 Ų14770%0.70171%0.705SS**SBendtrans-120.72.6-156.2-51.8-77.8000115.8
306Y25.1Very low25.6Very low214 Ų214148.3 Ų148.384%0.83971%0.712SS**  trans-118.397.1-178.9-73.4-77.7000112.1
307G23.7Very low25.7Very low67 Ų67148.3 Ų148.369%0.69171%0.705SS**  trans-96.5-162.7177.200000114.5
308Y24.5Very low25.7Very low209 Ų209148.6 Ų148.682%0.8271%0.706SS**SBendtrans66.984.1166.9-67.7-84.1000119.2N310Y308-N310 PolarHBondContact O-N 3.39Å
309K26.8Very low26Very low196 Ų196145.6 Ų145.685%0.85270%0.697SS**SBendtrans67.9-27.3132.7-66.5-173.7174.2-176.60121.3
310N26.2Very low26.7Very low149 Ų149142.5 Ų142.580%0.79769%0.689SS**  trans-102.9-9.6-169-77.2-7.1000116.4Y308Y308-N310 PolarHBondContact O-N 3.39Å
311D24.5Very low27.6Very low97 Ų97134.7 Ų134.752%0.51966%0.661SS.*  trans-102.421.9-161.5-111.2-16.6000117.1N313 N314 Y315D311-N313 PolarHBondContact O-N 3.15Å; D311-N313 VanDerWaalsContact O-N 3.13Å; D311-N314 HydrophobicContact CB-CB 4.47Å; D311-N314 PolarHBondContact O-N 3.3Å; D311-N314 WeakPolarHBondContact OD1-CB 3.46Å; D311-N314 PolarHBondContact OD1-ND2 2.95Å; D311-Y315 PolarHBondContact O-N 3.01Å
312L28Very low28.9Very low143 Ų143127.9 Ų127.975%0.74963%0.634SS**Hα-helixtrans-54.7-33.9176.4-129.979.9000112.7N314 N316L312-N314 VanDerWaalsContact C-N 3.33Å; L312-N314 PolarHBondContact O-N 3.04Å; L312-N316 PolarHBondContact O-ND2 3.17Å
313N27.8Very low30.8Very low134 Ų134120.8 Ų120.872%0.71760%0.601SS**Hα-helixtrans-75.9-14.6177.5-72.6-27.8000114.3D311 K317D311-N313 PolarHBondContact O-N 3.15Å; D311-N313 VanDerWaalsContact O-N 3.13Å; N313-K317 WeakPolarHBondContact O-CE 3.22Å
314N26.5Very low32.6Very low67 Ų67115.9 Ų115.936%0.35858%0.577SS.*Hα-helixtrans-104.5-26.6173.6-75.5-40.6000112.6D311 L312 N316 K317D311-N314 HydrophobicContact CB-CB 4.47Å; D311-N314 PolarHBondContact O-N 3.3Å; D311-N314 WeakPolarHBondContact OD1-CB 3.46Å; D311-N314 PolarHBondContact OD1-ND2 2.95Å; L312-N314 VanDerWaalsContact C-N 3.33Å; L312-N314 PolarHBondContact O-N 3.04Å; N314-N316 PolarHBondContact O-N 3Å; N314-K317 WeakPolarHBondContact O-CB 3.11Å; N314-K317 PolarHBondContact O-N 3.42Å; N314-K317 WeakPolarHBondContact OD1-CD 3.45Å; N314-K317 VanDerWaalsContact OD1-CE 3.32Å; N314-K317 WeakPolarHBondContact OD1-CE 3.45Å; N314-K317 PolarHBondContact OD1-NZ 3.44Å
315Y26.5Very low34.6Very low133 Ų133111.7 Ų111.752%0.52255%0.547SS..Hα-helixtrans-56.3-37.4172.3-127.5-99.2000111.8D311 K317D311-Y315 PolarHBondContact O-N 3.01Å; Y315-K317 PolarHBondContact O-N 3.37Å; Y315-K317 VanDerWaalsContact O-N 3.12Å
316N28.9Very low36.5Very low139 Ų139110.4 Ų110.474%0.74354%0.54SS*.THydrogen-bonded Turntrans-64.5-4.8173-81.1-41.8000115.6L312 N314L312-N316 PolarHBondContact O-ND2 3.17Å; N314-N316 PolarHBondContact O-N 3Å
317K27.1Very low38.6Very low149 Ų149104.3 Ų104.365%0.64852%0.516SS*.THydrogen-bonded Turntrans-101-21-176.5-62.6179-176.7166.90115.1N313 N314 Y315N313-K317 WeakPolarHBondContact O-CE 3.22Å; N314-K317 WeakPolarHBondContact O-CB 3.11Å; N314-K317 PolarHBondContact O-N 3.42Å; N314-K317 WeakPolarHBondContact OD1-CD 3.45Å; N314-K317 VanDerWaalsContact OD1-CE 3.32Å; N314-K317 WeakPolarHBondContact OD1-CE 3.45Å; N314-K317 PolarHBondContact OD1-NZ 3.44Å; Y315-K317 PolarHBondContact O-N 3.37Å; Y315-K317 VanDerWaalsContact O-N 3.12Å
318L25.4Very low40.9Very low135 Ų135101.1 Ų101.171%0.70748%0.483SS*.THydrogen-bonded Turntrans-119.3-22-160.9-79169.4000116.9
319K30.7Very low43.3Very low137 Ų13792.7 Ų92.760%0.59645%0.45SS*.SBendtrans-92.7107.6170.1-74.2179.6178.1173.10109.1I321K319-I321 PolarHBondContact O-N 3.49Å
320Q38.5Very low45.5Very low114 Ų11488.1 Ų88.153%0.53344%0.439SS..  trans-57.8127172-67178.93.300108.6N322Q320-N322 PolarHBondContact O-N 2.96Å
321I44.4Very low47.9Very low56 Ų5682.8 Ų82.829%0.28741%0.41SS..  trans-64.7106.9170.9-53.9178.6000106.3K319 L323 I377 N381K319-I321 PolarHBondContact O-N 3.49Å; I321-L323 HydrophobicContact CB-CG 4.38Å; I321-L323 HydrophobicContact CG2-CD2 3.7Å; I321-L323 HydrophobicContact CG2-CG 3.84Å; I321-L323 PolarHBondContact O-N 2.92Å; I321-I377 HydrophobicContact CB-CD1 4.29Å; I321-I377 HydrophobicContact CB-CG2 4.44Å; I321-I377 HydrophobicContact CD1-CD1 3.95Å; I321-I377 HydrophobicContact CG1-CD1 4.21Å; I321-I377 WeakPolarHBondContact O-CG2 3.14Å; I321-N381 PolarHBondContact O-ND2 3.11Å
322N51.7Low50.5Low49 Ų4978.1 Ų78.126%0.26239%0.385SS..  trans-73.275.4173.3-99.72.2000108.5N218 Q320 I324 N326N218-N322 PolarHBondContact ND2-O 3.27Å; N218-N322 VanDerWaalsContact ND2-O 3.17Å; Q320-N322 PolarHBondContact O-N 2.96Å; N322-I324 PolarHBondContact O-N 2.91Å; N322-N326 PolarHBondContact ND2-OD1 2.93Å; N322-N326 VanDerWaalsContact ND2-OD1 3.09Å
323L64Low53Low20 Ų2075.5 Ų75.511%0.10537%0.366CS..  trans-62.1-18.6170-66.9173.1000111.6I321 L351 N374 I377 F378I321-L323 HydrophobicContact CB-CG 4.38Å; I321-L323 HydrophobicContact CG2-CD2 3.7Å; I321-L323 HydrophobicContact CG2-CG 3.84Å; I321-L323 PolarHBondContact O-N 2.92Å; L323-L351 WeakPolarHBondContact O-CD2 3.3Å; L323-N374 HydrophobicContact CD1-CB 4.01Å; L323-N374 WeakPolarHBondContact CD1-O 3.19Å; L323-I377 HydrophobicContact CD1-CB 3.86Å; L323-I377 HydrophobicContact CD1-CG2 3.81Å; L323-I377 HydrophobicContact CG-CG2 4.29Å; L323-F378 HydrophobicContact CB-CD2 4.44Å; L323-F378 HydrophobicContact CD1-CB 4.07Å
324I65.9Low55.4Low0 Ų071.7 Ų71.70%035%0.346CS..SBendtrans-99.3113.3167.5-57.9-176.4000107.3N322 I328 Y329 L348 F378 N381N322-I324 PolarHBondContact O-N 2.91Å; I324-I328 HydrophobicContact CG2-CB 3.73Å; I324-I328 HydrophobicContact CG2-CG2 3.62Å; I324-Y329 HydrophobicContact CB-CD2 4.47Å; I324-Y329 HydrophobicContact CB-CE1 4.25Å; I324-Y329 HydrophobicContact CB-CE2 3.88Å; I324-Y329 HydrophobicContact CD1-CE1 4.29Å; I324-Y329 HydrophobicContact CG2-CD1 4.16Å; I324-Y329 HydrophobicContact CG2-CD2 4.15Å; I324-Y329 HydrophobicContact CG2-CE1 4.04Å; I324-Y329 HydrophobicContact CG2-CE2 4.03Å; I324-Y329 HydrophobicContact CG2-CG 4.23Å; I324-Y329 VanDerWaalsContact O-CE2 3.27Å; I324-Y329 WeakPolarHBondContact O-CE2 3.43Å; I324-L348 HydrophobicContact CD1-CD1 3.64Å; I324-L348 HydrophobicContact CD1-CD2 4.41Å; I324-L348 HydrophobicContact CG1-CD1 3.69Å; I324-L348 HydrophobicContact CG2-CD1 4.27Å; I324-F378 HydrophobicContact CD1-CE2 4.43Å; I324-F378 HydrophobicContact CG1-CD2 4.32Å; I324-F378 HydrophobicContact CG1-CE2 4.1Å; I324-N381 HydrophobicContact CD1-CB 3.77Å; I324-N381 HydrophobicContact CG1-CB 4.23Å
325P64.6Low57.6Low6 Ų674.1 Ų74.14%0.03935%0.353CS..  trans-56.3148.4176.3-26.631.5000113.4N216 Y327 I328 Y329 L351N216-P325 WeakPolarHBondContact OD1-CB 3.47Å; N216-P325 WeakPolarHBondContact OD1-CG 3.49Å; P325-Y327 HydrophobicContact CB-CD1 3.56Å; P325-Y327 HydrophobicContact CB-CE1 3.4Å; P325-Y327 VanDerWaalsContact CB-CE1 3.4Å; P325-Y327 HydrophobicContact CG-CE1 3.89Å; P325-Y327 PolarHBondContact O-N 3.02Å; P325-Y327 VanDerWaalsContact O-N 3.15Å; P325-I328 HydrophobicContact CB-CG1 4.37Å; P325-I328 HydrophobicContact CG-CD1 4.25Å; P325-I328 WeakPolarHBondContact O-CB 3.5Å; P325-I328 PolarHBondContact O-N 3.33Å; P325-Y329 PolarHBondContact O-N 3.01Å; P325-L351 VanDerWaalsContact CD-CD2 3.45Å; P325-L351 HydrophobicContact CG-CD1 4.47Å; P325-L351 HydrophobicContact CG-CD2 4.34Å
326N66.3Low59.7Low105 Ų10575.3 Ų75.356%0.56137%0.369SS*.Hα-helixtrans-59.4-31.2-176.5-72-11.3000113.4N322 I328 Y329 T330N322-N326 PolarHBondContact ND2-OD1 2.93Å; N322-N326 VanDerWaalsContact ND2-OD1 3.09Å; N326-I328 VanDerWaalsContact C-N 3.28Å; N326-I328 PolarHBondContact O-N 3.33Å; N326-Y329 PolarHBondContact O-N 3.36Å; N326-T330 PolarHBondContact O-N 3.47Å
327Y69.5Low61.9Low85 Ų8571.8 Ų71.833%0.33335%0.35SS..Hα-helixtrans-67.3-28.4175.979.4-95.2000112.9P325 T330 L331 E347P325-Y327 HydrophobicContact CB-CD1 3.56Å; P325-Y327 HydrophobicContact CB-CE1 3.4Å; P325-Y327 VanDerWaalsContact CB-CE1 3.4Å; P325-Y327 HydrophobicContact CG-CE1 3.89Å; P325-Y327 PolarHBondContact O-N 3.02Å; P325-Y327 VanDerWaalsContact O-N 3.15Å; Y327-T330 WeakPolarHBondContact CA-OG1 3.4Å; Y327-T330 PolarHBondContact O-OG1 3.26Å; Y327-T330 VanDerWaalsContact O-OG1 3.08Å; Y327-L331 HydrophobicContact CD2-CD1 4.26Å; Y327-L331 VanDerWaalsContact O-CG 3.25Å; Y327-L331 WeakPolarHBondContact O-CG 3.22Å; Y327-L331 PolarHBondContact O-N 2.93Å; Y327-L331 VanDerWaalsContact O-N 3.16Å; Y327-E347 HydrophobicContact CE2-CB 3.98Å; Y327-E347 HydrophobicContact CE2-CG 3.97Å
328I70.6Confident64.4Low0 Ų065.2 Ų65.20%032%0.321CS..Hα-helixtrans-72.2-41.2173.8-60-169.9000109.5I324 P325 N326 L331 L332 G344 E347 L348 L351I324-I328 HydrophobicContact CG2-CB 3.73Å; I324-I328 HydrophobicContact CG2-CG2 3.62Å; P325-I328 HydrophobicContact CB-CG1 4.37Å; P325-I328 HydrophobicContact CG-CD1 4.25Å; P325-I328 WeakPolarHBondContact O-CB 3.5Å; P325-I328 PolarHBondContact O-N 3.33Å; N326-I328 VanDerWaalsContact C-N 3.28Å; N326-I328 PolarHBondContact O-N 3.33Å; I328-L331 PolarHBondContact O-N 2.93Å; I328-L332 HydrophobicContact CG2-CD1 3.77Å; I328-L332 HydrophobicContact CG2-CG 4.22Å; I328-L332 WeakPolarHBondContact O-CB 3.29Å; I328-L332 VanDerWaalsContact O-CG 3.22Å; I328-L332 WeakPolarHBondContact O-CG 3.43Å; I328-L332 PolarHBondContact O-N 3.19Å; I328-G344 WeakPolarHBondContact CG2-O 3.45Å; I328-E347 HydrophobicContact CD1-CB 3.7Å; I328-E347 HydrophobicContact CG1-CB 3.9Å; I328-L348 HydrophobicContact CG2-CB 3.98Å; I328-L351 HydrophobicContact CD1-CD2 3.82Å
329Y74.8Confident66.8Low32 Ų3266.1 Ų66.113%0.12532%0.315CS..Hα-helixtrans-61.5-44.9172.7-74.4-54.7000112.5I324 P325 N326 L331 L332 Y333 V385I324-Y329 HydrophobicContact CB-CD2 4.47Å; I324-Y329 HydrophobicContact CB-CE1 4.25Å; I324-Y329 HydrophobicContact CB-CE2 3.88Å; I324-Y329 HydrophobicContact CD1-CE1 4.29Å; I324-Y329 HydrophobicContact CG2-CD1 4.16Å; I324-Y329 HydrophobicContact CG2-CD2 4.15Å; I324-Y329 HydrophobicContact CG2-CE1 4.04Å; I324-Y329 HydrophobicContact CG2-CE2 4.03Å; I324-Y329 HydrophobicContact CG2-CG 4.23Å; I324-Y329 VanDerWaalsContact O-CE2 3.27Å; I324-Y329 WeakPolarHBondContact O-CE2 3.43Å; P325-Y329 PolarHBondContact O-N 3.01Å; N326-Y329 PolarHBondContact O-N 3.36Å; Y329-L331 VanDerWaalsContact C-N 3.28Å; Y329-L331 PolarHBondContact O-N 3.39Å; Y329-L332 HydrophobicContact CD1-CD1 4.42Å; Y329-L332 PolarHBondContact O-N 3.42Å; Y329-Y333 HydrophobicContact CD1-CD2 4.27Å; Y329-Y333 AromaticContact CD1-CE2 3.72Å; Y329-Y333 HydrophobicContact CD1-CE2 3.72Å; Y329-Y333 HydrophobicContact CE1-CE2 4.42Å; Y329-Y333 HydrophobicContact CG-CE2 4.35Å; Y329-Y333 WeakPolarHBondContact O-CB 3.28Å; Y329-Y333 VanDerWaalsContact O-CD2 3.28Å; Y329-Y333 WeakPolarHBondContact O-CD2 3.26Å; Y329-Y333 PolarHBondContact O-N 2.85Å; Y329-V385 HydrophobicContact CD1-CG2 4.07Å; Y329-V385 HydrophobicContact CE1-CG2 3.69Å
330T73.3Confident69Low100 Ų10061.6 Ų61.661%0.61330%0.297SS*.Hα-helixtrans-66-30.3178.857.80000112.9N326 Y327N326-T330 PolarHBondContact O-N 3.47Å; Y327-T330 WeakPolarHBondContact CA-OG1 3.4Å; Y327-T330 PolarHBondContact O-OG1 3.26Å; Y327-T330 VanDerWaalsContact O-OG1 3.08Å
331L76.1Confident71.1Confident37 Ų3756.2 Ų56.219%0.19427%0.272CS..Hα-helixtrans-66.9-55.2168.2-72.4170.4000111.1Y327 I328 Y329 Y333 N334 N340 Q341 K343 G344Y327-L331 HydrophobicContact CD2-CD1 4.26Å; Y327-L331 VanDerWaalsContact O-CG 3.25Å; Y327-L331 WeakPolarHBondContact O-CG 3.22Å; Y327-L331 PolarHBondContact O-N 2.93Å; Y327-L331 VanDerWaalsContact O-N 3.16Å; I328-L331 PolarHBondContact O-N 2.93Å; Y329-L331 VanDerWaalsContact C-N 3.28Å; Y329-L331 PolarHBondContact O-N 3.39Å; L331-Y333 PolarHBondContact O-N 2.96Å; L331-N334 VanDerWaalsContact O-CB 3.26Å; L331-N334 WeakPolarHBondContact O-CB 3.44Å; L331-N334 PolarHBondContact O-N 3.33Å; L331-N340 WeakPolarHBondContact CB-O 3.5Å; L331-N340 HydrophobicContact CD2-CB 4.11Å; L331-N340 CarbonylContact O-C 3.59Å; L331-Q341 WeakPolarHBondContact O-CA 3.42Å; L331-Q341 PolarHBondContact O-N 3.27Å; L331-K343 HydrophobicContact CD1-CB 4.11Å; L331-K343 HydrophobicContact CD2-CB 4.21Å; L331-G344 VanDerWaalsContact CB-CA 3.45Å
332L79.1Confident72.8Confident0 Ų053.6 Ų53.60%026%0.258CS..Hα-helixtrans-56.5-46.7-179.2-75.2168.1000113.4I328 Y329 N334 Q341 I345 L348 V385 Q389I328-L332 HydrophobicContact CG2-CD1 3.77Å; I328-L332 HydrophobicContact CG2-CG 4.22Å; I328-L332 WeakPolarHBondContact O-CB 3.29Å; I328-L332 VanDerWaalsContact O-CG 3.22Å; I328-L332 WeakPolarHBondContact O-CG 3.43Å; I328-L332 PolarHBondContact O-N 3.19Å; Y329-L332 HydrophobicContact CD1-CD1 4.42Å; Y329-L332 PolarHBondContact O-N 3.42Å; L332-N334 PolarHBondContact O-N 3.43Å; L332-Q341 PolarHBondContact O-NE2 3.12Å; L332-I345 HydrophobicContact CD2-CD1 4.18Å; L332-I345 HydrophobicContact CD2-CG1 3.38Å; L332-L348 HydrophobicContact CD1-CD2 4.39Å; L332-V385 HydrophobicContact CD1-CG1 4.12Å; L332-V385 HydrophobicContact CD1-CG2 4.09Å; L332-V385 HydrophobicContact CD2-CG1 4.33Å; L332-Q389 PolarHBondContact O-NE2 3.06Å
333Y81.3Confident74.1Confident88 Ų8856.8 Ų56.835%0.34527%0.27SS..THydrogen-bonded Turntrans-76.7-0.3-177.4-76.8-71.6000113.7Y329 L331 K335 H388Y329-Y333 HydrophobicContact CD1-CD2 4.27Å; Y329-Y333 AromaticContact CD1-CE2 3.72Å; Y329-Y333 HydrophobicContact CD1-CE2 3.72Å; Y329-Y333 HydrophobicContact CE1-CE2 4.42Å; Y329-Y333 HydrophobicContact CG-CE2 4.35Å; Y329-Y333 WeakPolarHBondContact O-CB 3.28Å; Y329-Y333 VanDerWaalsContact O-CD2 3.28Å; Y329-Y333 WeakPolarHBondContact O-CD2 3.26Å; Y329-Y333 PolarHBondContact O-N 2.85Å; L331-Y333 PolarHBondContact O-N 2.96Å; Y333-K335 PolarHBondContact O-N 3.1Å; Y333-H388 HydrophobicContact CD1-CB 4.48Å; Y333-H388 HydrophobicContact CE1-CB 3.76Å; Y333-H388 AromaticContact CE1-CD2 3.82Å
334N77.9Confident74.8Confident54 Ų5455.9 Ų55.929%0.28927%0.265SS..  trans-75.565.7173.9-160-35.6000111.8L331 L332 N336 N337 N340 Q341L331-N334 VanDerWaalsContact O-CB 3.26Å; L331-N334 WeakPolarHBondContact O-CB 3.44Å; L331-N334 PolarHBondContact O-N 3.33Å; L332-N334 PolarHBondContact O-N 3.43Å; N334-N336 PolarHBondContact O-N 3.49Å; N334-N337 CarbonylContact O-C 3.51Å; N334-N337 PolarHBondContact O-N 3.46Å; N334-N337 VanDerWaalsContact O-O 3.11Å; N334-N337 WeakPolarHBondContact OD1-CB 3.47Å; N334-N337 PolarHBondContact OD1-N 2.84Å; N334-N337 VanDerWaalsContact OD1-N 3.09Å; N334-N340 HydrophobicContact CB-CB 4.03Å; N334-N340 PolarHBondContact ND2-ND2 3.47Å; N334-N340 VanDerWaalsContact ND2-ND2 3.13Å; N334-Q341 WeakPolarHBondContact O-CG 3.45Å
335K72.1Confident75.7Confident118 Ų11855.9 Ų55.951%0.51327%0.265SS..  trans-57-26.4-175-51.1-166.5-169-165.20113.8Y333 H388Y333-K335 PolarHBondContact O-N 3.1Å; K335-H388 WeakPolarHBondContact CE-O 3.47Å; K335-H388 PolarHBondContact NZ-O 3.08Å
336N70.5Confident76.4Confident158 Ų15856.4 Ų56.485%0.84527%0.268SS*.SBendtrans-80.8-49.4-176.3-63.7-4.5000111.6N334 Y338N334-N336 PolarHBondContact O-N 3.49Å; N336-Y338 PolarHBondContact O-N 2.8Å
337N76.4Confident76.8Confident65 Ų6554.7 Ų54.735%0.34826%0.256SS..  trans-90.787.5171.3-177.33.3000108.7N334 R339 N340N334-N337 CarbonylContact O-C 3.51Å; N334-N337 PolarHBondContact O-N 3.46Å; N334-N337 VanDerWaalsContact O-O 3.11Å; N334-N337 WeakPolarHBondContact OD1-CB 3.47Å; N334-N337 PolarHBondContact OD1-N 2.84Å; N334-N337 VanDerWaalsContact OD1-N 3.09Å; N337-R339 PolarHBondContact O-N 3.27Å; N337-R339 WeakPolarHBondContact OD1-CB 3.29Å; N337-R339 PolarHBondContact OD1-N 3.4Å; N337-R339 VanDerWaalsContact OD1-N 3.11Å; N337-N340 HydrophobicContact CB-CB 4.36Å; N337-N340 PolarHBondContact ND2-ND2 3.31Å; N337-N340 VanDerWaalsContact ND2-ND2 3.15Å; N337-N340 PolarHBondContact ND2-OD1 3.06Å; N337-N340 WeakPolarHBondContact O-CB 3.48Å; N337-N340 PolarHBondContact O-N 2.89Å
338Y80.2Confident77.5Confident10 Ų1050.6 Ų50.64%0.03924%0.24CC..Hα-helixtrans-40.2-57.4172.3-178.4-102.1000110.3N336 N340 Q341 L342 I393 I622 L624N336-Y338 PolarHBondContact O-N 2.8Å; Y338-N340 PolarHBondContact O-N 3.21Å; Y338-Q341 VanDerWaalsContact O-CB 3.27Å; Y338-Q341 WeakPolarHBondContact O-CB 3.22Å; Y338-Q341 WeakPolarHBondContact O-CG 3.39Å; Y338-Q341 PolarHBondContact O-N 2.96Å; Y338-L342 HydrophobicContact CD1-CD1 3.6Å; Y338-L342 HydrophobicContact CD2-CD1 4.21Å; Y338-L342 HydrophobicContact CE1-CD1 3.14Å; Y338-L342 HydrophobicContact CE1-CD2 4.23Å; Y338-L342 HydrophobicContact CE1-CG 3.75Å; Y338-L342 HydrophobicContact CE2-CD1 3.85Å; Y338-L342 HydrophobicContact CE2-CD2 3.73Å; Y338-L342 HydrophobicContact CE2-CG 4.18Å; Y338-L342 HydrophobicContact CG-CD1 4.05Å; Y338-L342 VanDerWaalsContact CZ-CD2 3.4Å; Y338-L342 VanDerWaalsContact CZ-CG 3.44Å; Y338-L342 WeakPolarHBondContact O-CD1 3.49Å; Y338-L342 WeakPolarHBondContact OH-CD1 3.33Å; Y338-L342 WeakPolarHBondContact OH-CD2 3.37Å; Y338-L342 WeakPolarHBondContact OH-CG 3.39Å; Y338-I393 HydrophobicContact CE2-CD1 3.73Å; Y338-I393 HydrophobicContact CE2-CG1 4.12Å; Y338-I622 PolarHBondContact OH-O 3.43Å; Y338-L624 HydrophobicContact CD1-CB 4.21Å; Y338-L624 HydrophobicContact CD2-CD2 4.05Å; Y338-L624 HydrophobicContact CE1-CB 3.48Å; Y338-L624 VanDerWaalsContact CE1-CB 3.48Å; Y338-L624 HydrophobicContact CE1-CD1 4.43Å; Y338-L624 HydrophobicContact CE1-CG 4.32Å; Y338-L624 VanDerWaalsContact CE1-N 3.32Å; Y338-L624 WeakPolarHBondContact CE1-O 3.43Å; Y338-L624 HydrophobicContact CE2-CB 3.87Å; Y338-L624 HydrophobicContact CE2-CD1 3.68Å; Y338-L624 HydrophobicContact CE2-CD2 3.47Å; Y338-L624 VanDerWaalsContact CE2-CD2 3.47Å; Y338-L624 HydrophobicContact CE2-CG 3.84Å; Y338-L624 VanDerWaalsContact CZ-CD1 3.42Å; Y338-L624 VanDerWaalsContact CZ-N 3.35Å; Y338-L624 WeakPolarHBondContact OH-CB 3.33Å; Y338-L624 WeakPolarHBondContact OH-CD1 3.38Å; Y338-L624 PolarHBondContact OH-N 2.93Å
339R75.5Confident78.2Confident155 Ų15552.1 Ų52.159%0.58525%0.247SC*.Hα-helixtrans-52.2-21-178-64.6-173.8179.6173.10.8116.5N337N337-R339 PolarHBondContact O-N 3.27Å; N337-R339 WeakPolarHBondContact OD1-CB 3.29Å; N337-R339 PolarHBondContact OD1-N 3.4Å; N337-R339 VanDerWaalsContact OD1-N 3.11Å
340N75.3Confident78.3Confident41 Ų4153.8 Ų53.822%0.21926%0.258CS..Hα-helixtrans-79.6-37.4173.2-78.2-8.5000112.6L331 N334 N337 Y338 L342 K343 G344L331-N340 WeakPolarHBondContact CB-O 3.5Å; L331-N340 HydrophobicContact CD2-CB 4.11Å; L331-N340 CarbonylContact O-C 3.59Å; N334-N340 HydrophobicContact CB-CB 4.03Å; N334-N340 PolarHBondContact ND2-ND2 3.47Å; N334-N340 VanDerWaalsContact ND2-ND2 3.13Å; N337-N340 HydrophobicContact CB-CB 4.36Å; N337-N340 PolarHBondContact ND2-ND2 3.31Å; N337-N340 VanDerWaalsContact ND2-ND2 3.15Å; N337-N340 PolarHBondContact ND2-OD1 3.06Å; N337-N340 WeakPolarHBondContact O-CB 3.48Å; N337-N340 PolarHBondContact O-N 2.89Å; Y338-N340 PolarHBondContact O-N 3.21Å; N340-L342 PolarHBondContact O-N 2.99Å; N340-K343 PolarHBondContact O-N 3.28Å; N340-G344 PolarHBondContact O-N 3.37Å; N340-G344 VanDerWaalsContact O-N 3.1Å
341Q82.6Confident78.5Confident2 Ų250 Ų501%0.00923%0.234CC..Hα-helixtrans-52.4-31.8178.3-51.8-166.2-76.300112.3L331 L332 N334 Y338 G344 I345 I393L331-Q341 WeakPolarHBondContact O-CA 3.42Å; L331-Q341 PolarHBondContact O-N 3.27Å; L332-Q341 PolarHBondContact O-NE2 3.12Å; N334-Q341 WeakPolarHBondContact O-CG 3.45Å; Y338-Q341 VanDerWaalsContact O-CB 3.27Å; Y338-Q341 WeakPolarHBondContact O-CB 3.22Å; Y338-Q341 WeakPolarHBondContact O-CG 3.39Å; Y338-Q341 PolarHBondContact O-N 2.96Å; Q341-G344 CarbonylContact O-C 3.58Å; Q341-G344 VanDerWaalsContact O-CA 3.32Å; Q341-G344 WeakPolarHBondContact O-CA 3.31Å; Q341-G344 PolarHBondContact O-N 2.89Å; Q341-I345 WeakPolarHBondContact O-CG1 3.48Å; Q341-I345 PolarHBondContact O-N 3.27Å; Q341-I393 HydrophobicContact CB-CD1 3.8Å
342L82.1Confident78.8Confident0 Ų048.2 Ų48.20%023%0.225CC..Hα-helixtrans-96.6-23.3-169.5-42.487000113.1Y338 N340 I345 N346 I393 I621 I622 H623Y338-L342 HydrophobicContact CD1-CD1 3.6Å; Y338-L342 HydrophobicContact CD2-CD1 4.21Å; Y338-L342 HydrophobicContact CE1-CD1 3.14Å; Y338-L342 HydrophobicContact CE1-CD2 4.23Å; Y338-L342 HydrophobicContact CE1-CG 3.75Å; Y338-L342 HydrophobicContact CE2-CD1 3.85Å; Y338-L342 HydrophobicContact CE2-CD2 3.73Å; Y338-L342 HydrophobicContact CE2-CG 4.18Å; Y338-L342 HydrophobicContact CG-CD1 4.05Å; Y338-L342 VanDerWaalsContact CZ-CD2 3.4Å; Y338-L342 VanDerWaalsContact CZ-CG 3.44Å; Y338-L342 WeakPolarHBondContact O-CD1 3.49Å; Y338-L342 WeakPolarHBondContact OH-CD1 3.33Å; Y338-L342 WeakPolarHBondContact OH-CD2 3.37Å; Y338-L342 WeakPolarHBondContact OH-CG 3.39Å; N340-L342 PolarHBondContact O-N 2.99Å; L342-I345 HydrophobicContact CD2-CD1 3.89Å; L342-I345 PolarHBondContact O-N 2.87Å; L342-N346 WeakPolarHBondContact O-CB 3.29Å; L342-N346 PolarHBondContact O-N 3.03Å; L342-I393 HydrophobicContact CD2-CD1 3.31Å; L342-I621 HydrophobicContact CB-CG2 3.23Å; L342-I621 HydrophobicContact CG-CG2 4.34Å; L342-I622 HydrophobicContact CB-CG2 4.26Å; L342-I622 HydrophobicContact CD2-CG2 3.9Å; L342-I622 WeakPolarHBondContact CD2-O 3.27Å; L342-I622 HydrophobicContact CG-CG2 4.37Å; L342-I622 WeakPolarHBondContact CG-O 3.05Å; L342-H623 WeakPolarHBondContact CD1-ND1 3.45Å
343K77.6Confident78.7Confident117 Ų11753.5 Ų53.551%0.50925%0.245SC..Hα-helixtrans-56.6-45.8154.1-64.5178.5179.5-179.20108.4L331 N340 I345 N346 E347L331-K343 HydrophobicContact CD1-CB 4.11Å; L331-K343 HydrophobicContact CD2-CB 4.21Å; N340-K343 PolarHBondContact O-N 3.28Å; K343-I345 PolarHBondContact O-N 3.44Å; K343-N346 WeakPolarHBondContact O-CB 3.33Å; K343-N346 PolarHBondContact O-N 3.39Å; K343-N346 VanDerWaalsContact O-N 3.16Å; K343-E347 VanDerWaalsContact O-CG 3.31Å; K343-E347 WeakPolarHBondContact O-CG 3.43Å; K343-E347 PolarHBondContact O-N 3.12Å
344G78.9Confident78.1Confident0 Ų054.2 Ų54.20%025%0.251CS..Hα-helixtrans-53.7-50.5172.600000113.1I328 L331 N340 Q341 N346 E347 L348I328-G344 WeakPolarHBondContact CG2-O 3.45Å; L331-G344 VanDerWaalsContact CB-CA 3.45Å; N340-G344 PolarHBondContact O-N 3.37Å; N340-G344 VanDerWaalsContact O-N 3.1Å; Q341-G344 CarbonylContact O-C 3.58Å; Q341-G344 VanDerWaalsContact O-CA 3.32Å; Q341-G344 WeakPolarHBondContact O-CA 3.31Å; Q341-G344 PolarHBondContact O-N 2.89Å; G344-N346 VanDerWaalsContact C-N 3.33Å; G344-N346 PolarHBondContact O-N 3.26Å; G344-E347 PolarHBondContact O-N 3.12Å; G344-L348 WeakPolarHBondContact O-CB 3.26Å; G344-L348 PolarHBondContact O-N 2.84Å
345I85.4Confident77.7Confident0 Ų054.2 Ų54.20%025%0.251CS..Hα-helixtrans-69.1-30.6179.4-59.3170.4000112.9L332 Q341 L342 K343 L348 Q349 I393 H396 L397 I400 I622L332-I345 HydrophobicContact CD2-CD1 4.18Å; L332-I345 HydrophobicContact CD2-CG1 3.38Å; Q341-I345 WeakPolarHBondContact O-CG1 3.48Å; Q341-I345 PolarHBondContact O-N 3.27Å; L342-I345 HydrophobicContact CD2-CD1 3.89Å; L342-I345 PolarHBondContact O-N 2.87Å; K343-I345 PolarHBondContact O-N 3.44Å; I345-L348 PolarHBondContact O-N 2.87Å; I345-Q349 WeakPolarHBondContact O-CB 3.44Å; I345-Q349 PolarHBondContact O-N 2.87Å; I345-I393 HydrophobicContact CD1-CD1 3.75Å; I345-I393 HydrophobicContact CD1-CG2 4.03Å; I345-H396 HydrophobicContact CD1-CB 4.31Å; I345-L397 HydrophobicContact CD1-CD2 4.35Å; I345-L397 HydrophobicContact CD1-CG 4.34Å; I345-L397 HydrophobicContact CG1-CD2 4.19Å; I345-I400 HydrophobicContact CG2-CD1 3.49Å; I345-I400 VanDerWaalsContact CG2-CD1 3.49Å; I345-I400 HydrophobicContact CG2-CG1 4.12Å; I345-I622 HydrophobicContact CB-CG2 3.55Å; I345-I622 HydrophobicContact CD1-CG2 3.47Å; I345-I622 VanDerWaalsContact CD1-CG2 3.47Å; I345-I622 HydrophobicContact CG1-CG2 4.07Å; I345-I622 HydrophobicContact CG2-CB 4.25Å; I345-I622 HydrophobicContact CG2-CD1 3.48Å; I345-I622 VanDerWaalsContact CG2-CD1 3.48Å; I345-I622 HydrophobicContact CG2-CG1 4.37Å; I345-I622 HydrophobicContact CG2-CG2 3.54Å
346N79.9Confident78.1Confident17 Ų1748.8 Ų48.89%0.09123%0.227CC..Hα-helixtrans-56.8-60.2170.1-119.435.1000110.6L342 K343 G344 L348 Q349 L350 M619 I621L342-N346 WeakPolarHBondContact O-CB 3.29Å; L342-N346 PolarHBondContact O-N 3.03Å; K343-N346 WeakPolarHBondContact O-CB 3.33Å; K343-N346 PolarHBondContact O-N 3.39Å; K343-N346 VanDerWaalsContact O-N 3.16Å; G344-N346 VanDerWaalsContact C-N 3.33Å; G344-N346 PolarHBondContact O-N 3.26Å; N346-L348 PolarHBondContact O-N 3.3Å; N346-Q349 PolarHBondContact O-N 2.86Å; N346-L350 PolarHBondContact O-N 2.76Å; N346-M619 HydrophobicContact CB-SD 4.03Å; N346-M619 WeakPolarHBondContact ND2-CB 3.5Å; N346-M619 WeakPolarHBondContact O-CE 3.39Å; N346-M619 VanDerWaalsContact O-SD 3.37Å; N346-M619 WeakPolarHBondContact OD1-CB 3.47Å; N346-I621 VanDerWaalsContact CG-CG1 3.49Å; N346-I621 VanDerWaalsContact ND2-CD1 3.3Å; N346-I621 WeakPolarHBondContact ND2-CD1 3.46Å; N346-I621 WeakPolarHBondContact ND2-CG1 3.46Å; N346-I621 WeakPolarHBondContact OD1-CA 3.36Å; N346-I621 WeakPolarHBondContact OD1-CD1 3.48Å; N346-I621 VanDerWaalsContact OD1-CG1 3.25Å; N346-I621 WeakPolarHBondContact OD1-CG1 3.27Å; N346-I621 PolarHBondContact OD1-N 3.01Å
347E73.2Confident78.3Confident69 Ų6941.8 Ų41.832%0.32219%0.191SC..Hα-helixtrans-59.9-35.9-177.8-56.9-62164.200109.9Y327 I328 K343 G344 L350 L351Y327-E347 HydrophobicContact CE2-CB 3.98Å; Y327-E347 HydrophobicContact CE2-CG 3.97Å; I328-E347 HydrophobicContact CD1-CB 3.7Å; I328-E347 HydrophobicContact CG1-CB 3.9Å; K343-E347 VanDerWaalsContact O-CG 3.31Å; K343-E347 WeakPolarHBondContact O-CG 3.43Å; K343-E347 PolarHBondContact O-N 3.12Å; G344-E347 PolarHBondContact O-N 3.12Å; E347-L350 PolarHBondContact O-N 2.68Å; E347-L351 WeakPolarHBondContact O-CB 2.98Å; E347-L351 PolarHBondContact O-N 2.9Å
348L85Confident77.9Confident0 Ų041.1 Ų41.10%019%0.187CC..Hα-helixtrans-63.1-43.1174.5-177.157.3000112.6I324 I328 L332 G344 I345 N346 L351 T352 F378 L397 I400I324-L348 HydrophobicContact CD1-CD1 3.64Å; I324-L348 HydrophobicContact CD1-CD2 4.41Å; I324-L348 HydrophobicContact CG1-CD1 3.69Å; I324-L348 HydrophobicContact CG2-CD1 4.27Å; I328-L348 HydrophobicContact CG2-CB 3.98Å; L332-L348 HydrophobicContact CD1-CD2 4.39Å; G344-L348 WeakPolarHBondContact O-CB 3.26Å; G344-L348 PolarHBondContact O-N 2.84Å; I345-L348 PolarHBondContact O-N 2.87Å; N346-L348 PolarHBondContact O-N 3.3Å; L348-L351 HydrophobicContact CD1-CD2 4.31Å; L348-T352 WeakPolarHBondContact O-CB 3.15Å; L348-T352 PolarHBondContact O-N 2.92Å; L348-T352 PolarHBondContact O-OG1 2.89Å; L348-F378 HydrophobicContact CD1-CE2 3.66Å; L348-F378 HydrophobicContact CD1-CZ 3.83Å; L348-F378 HydrophobicContact CG-CZ 4.48Å; L348-L397 HydrophobicContact CD2-CD2 3.79Å; L348-I400 HydrophobicContact CB-CD1 4.23Å; L348-I400 HydrophobicContact CD2-CD1 3.59Å; L348-I400 HydrophobicContact CG-CD1 3.74Å
349Q85.8Confident76.8Confident31 Ų3147.6 Ų47.615%0.14522%0.215CC..Hα-helixtrans-70-37.8177.1-178.4-170.2-0.400111.5I345 N346 T352 W353 I400 M403 M619I345-Q349 WeakPolarHBondContact O-CB 3.44Å; I345-Q349 PolarHBondContact O-N 2.87Å; N346-Q349 PolarHBondContact O-N 2.86Å; Q349-T352 PolarHBondContact O-N 3.35Å; Q349-W353 PolarHBondContact O-N 3.03Å; Q349-I400 HydrophobicContact CB-CG1 4.28Å; Q349-I400 HydrophobicContact CB-CG2 4.46Å; Q349-M403 HydrophobicContact CG-CE 3.71Å; Q349-M403 HydrophobicContact CG-SD 3.72Å; Q349-M403 PolarHBondContact NE2-SD 3.27Å; Q349-M403 VanDerWaalsContact NE2-SD 3.42Å; Q349-M619 HydrophobicContact CB-CE 3.6Å; Q349-M619 HydrophobicContact CG-CE 3.85Å
350L76.6Confident75.8Confident68 Ų6843.3 Ų43.336%0.35620%0.204SC..Hα-helixtrans-62.8-46.8176.4-179.561.6000110.8N346 E347 W353 Q354 M619N346-L350 PolarHBondContact O-N 2.76Å; E347-L350 PolarHBondContact O-N 2.68Å; L350-W353 WeakPolarHBondContact O-CB 3.31Å; L350-W353 PolarHBondContact O-N 3.49Å; L350-Q354 WeakPolarHBondContact O-CG 3.43Å; L350-Q354 PolarHBondContact O-N 3.14Å; L350-M619 HydrophobicContact CB-CE 4.15Å; L350-M619 HydrophobicContact CB-SD 3.88Å
351L78Confident75Confident20 Ų2041.7 Ų41.711%0.10520%0.196CC..Hα-helixtrans-58.9-45.7173179.576.8000112.1L323 P325 I328 E347 L348 W353 Q354 L355L323-L351 WeakPolarHBondContact O-CD2 3.3Å; P325-L351 VanDerWaalsContact CD-CD2 3.45Å; P325-L351 HydrophobicContact CG-CD1 4.47Å; P325-L351 HydrophobicContact CG-CD2 4.34Å; I328-L351 HydrophobicContact CD1-CD2 3.82Å; E347-L351 WeakPolarHBondContact O-CB 2.98Å; E347-L351 PolarHBondContact O-N 2.9Å; L348-L351 HydrophobicContact CD1-CD2 4.31Å; L351-W353 PolarHBondContact O-N 2.78Å; L351-Q354 PolarHBondContact O-N 2.79Å; L351-L355 HydrophobicContact CD1-CD1 3.97Å; L351-L355 HydrophobicContact CD1-CG 4.25Å; L351-L355 HydrophobicContact CG-CD1 3.89Å; L351-L355 HydrophobicContact CG-CG 4.4Å; L351-L355 WeakPolarHBondContact O-CB 3.38Å; L351-L355 WeakPolarHBondContact O-CG 3.14Å; L351-L355 PolarHBondContact O-N 2.9Å
352T80.5Confident73.8Confident0 Ų045.6 Ų45.60%022%0.216CC..Hα-helixtrans-59-38.8175.6-51.70000111.5L348 Q349 F356 C357 F378 I400 M403 L404L348-T352 WeakPolarHBondContact O-CB 3.15Å; L348-T352 PolarHBondContact O-N 2.92Å; L348-T352 PolarHBondContact O-OG1 2.89Å; Q349-T352 PolarHBondContact O-N 3.35Å; T352-F356 HydrophobicContact CG2-CD2 4.35Å; T352-F356 PolarHBondContact O-N 2.99Å; T352-F356 VanDerWaalsContact O-N 3.1Å; T352-C357 PolarHBondContact O-N 3.26Å; T352-C357 PolarHBondContact O-SG 3.37Å; T352-F378 HydrophobicContact CG2-CE1 3.98Å; T352-F378 HydrophobicContact CG2-CZ 4.11Å; T352-F378 WeakPolarHBondContact OG1-CZ 3.25Å; T352-I400 HydrophobicContact CG2-CG2 3.91Å; T352-I400 VanDerWaalsContact OG1-CG2 3.27Å; T352-I400 WeakPolarHBondContact OG1-CG2 3.19Å; T352-M403 HydrophobicContact CG2-CE 3.77Å; T352-L404 HydrophobicContact CG2-CB 4.2Å; T352-L404 HydrophobicContact CG2-CD1 4.25Å
353W77.2Confident72.3Confident111 Ų11150.7 Ų50.742%0.4224%0.24SC..Iπ-helixtrans-67.7-44.3177.3-177.2-86.6000111.9Q349 L350 L351 C357 N358 M403 H407Q349-W353 PolarHBondContact O-N 3.03Å; L350-W353 WeakPolarHBondContact O-CB 3.31Å; L350-W353 PolarHBondContact O-N 3.49Å; L351-W353 PolarHBondContact O-N 2.78Å; W353-C357 HydrophobicContact CD2-CB 3.84Å; W353-C357 HydrophobicContact CE3-CB 3.52Å; W353-C357 HydrophobicContact CG-CB 4.3Å; W353-C357 HydrophobicContact CZ3-CB 3.96Å; W353-C357 CarbonylContact O-C 3.58Å; W353-C357 PolarHBondContact O-N 2.86Å; W353-C357 VanDerWaalsContact O-N 3.14Å; W353-N358 PolarHBondContact O-N 3Å; W353-M403 HydrophobicContact CB-CE 4.38Å; W353-M403 HydrophobicContact CE3-SD 4.17Å; W353-H407 AromaticContact CH2-CE1 3.66Å; W353-H407 AromaticContact CZ3-CE1 3.61Å; W353-H407 AromaticContact CZ3-NE2 3.58Å
354Q69.4Low70.9Confident102 Ų10247.6 Ų47.648%0.47723%0.226SC..Iπ-helixtrans-65.1-47.9179.1-72.3170.4-10.300112.4L350 L351L350-Q354 WeakPolarHBondContact O-CG 3.43Å; L350-Q354 PolarHBondContact O-N 3.14Å; L351-Q354 PolarHBondContact O-N 2.79Å
355L70.4Confident69.7Low54 Ų5449.1 Ų49.128%0.28324%0.235SC..Iπ-helixtrans-71-45.3-177.2-68177.2000113L351 S361L351-L355 HydrophobicContact CD1-CD1 3.97Å; L351-L355 HydrophobicContact CD1-CG 4.25Å; L351-L355 HydrophobicContact CG-CD1 3.89Å; L351-L355 HydrophobicContact CG-CG 4.4Å; L351-L355 WeakPolarHBondContact O-CB 3.38Å; L351-L355 WeakPolarHBondContact O-CG 3.14Å; L351-L355 PolarHBondContact O-N 2.9Å; L355-S361 WeakPolarHBondContact O-CB 3.32Å
356F78.7Confident68Low5 Ų553 Ų532%0.02226%0.258CS..Iπ-helixtrans-120.3-34-166.8-54.4-61.9000114.7T352 S361 Y371 N374 I375 F378 L404T352-F356 HydrophobicContact CG2-CD2 4.35Å; T352-F356 PolarHBondContact O-N 2.99Å; T352-F356 VanDerWaalsContact O-N 3.1Å; F356-S361 VanDerWaalsContact O-CB 3.27Å; F356-S361 WeakPolarHBondContact O-CB 3.39Å; F356-S361 PolarHBondContact O-OG 2.87Å; F356-Y371 HydrophobicContact CD1-CD2 4.37Å; F356-Y371 AromaticContact CD1-CE2 3.81Å; F356-Y371 HydrophobicContact CD1-CE2 3.81Å; F356-Y371 PolarHBondContact O-OH 3.48Å; F356-N374 HydrophobicContact CE1-CB 4.07Å; F356-N374 HydrophobicContact CZ-CB 4.27Å; F356-I375 HydrophobicContact CD1-CD1 4.11Å; F356-I375 HydrophobicContact CD1-CG1 3.61Å; F356-I375 HydrophobicContact CE1-CD1 4.49Å; F356-I375 HydrophobicContact CE1-CG1 3.62Å; F356-I375 HydrophobicContact CG-CG1 4.15Å; F356-I375 HydrophobicContact CZ-CG1 4.16Å; F356-F378 HydrophobicContact CE2-CB 3.98Å; F356-F378 HydrophobicContact CE2-CD1 4.09Å; F356-F378 HydrophobicContact CE2-CD2 4.03Å; F356-F378 AromaticContact CE2-CG 3.76Å; F356-F378 HydrophobicContact CE2-CG 3.76Å; F356-F378 HydrophobicContact CZ-CB 4.16Å; F356-F378 HydrophobicContact CZ-CG 4.43Å; F356-L404 HydrophobicContact CB-CD1 3.54Å; F356-L404 HydrophobicContact CD2-CD1 4.02Å; F356-L404 HydrophobicContact CG-CD1 3.97Å
357C74.9Confident67.3Low11 Ų1157.2 Ų57.27%0.07428%0.281CS..Iπ-helixtrans-92.9-14.9-169.9-48.90000114.7T352 W353 H407T352-C357 PolarHBondContact O-N 3.26Å; T352-C357 PolarHBondContact O-SG 3.37Å; W353-C357 HydrophobicContact CD2-CB 3.84Å; W353-C357 HydrophobicContact CE3-CB 3.52Å; W353-C357 HydrophobicContact CG-CB 4.3Å; W353-C357 HydrophobicContact CZ3-CB 3.96Å; W353-C357 CarbonylContact O-C 3.58Å; W353-C357 PolarHBondContact O-N 2.86Å; W353-C357 VanDerWaalsContact O-N 3.14Å; C357-H407 HydrophobicContact CB-CB 4.06Å
358N69.8Low67Low50 Ų5057.3 Ų57.327%0.26728%0.284SS..SBendtrans-68.7152.7177.5-169.816.7000111.3W353 N360 S361W353-N358 PolarHBondContact O-N 3Å; N358-N360 PolarHBondContact O-N 3.23Å; N358-S361 VanDerWaalsContact O-CB 3.23Å; N358-S361 WeakPolarHBondContact O-CB 3.35Å; N358-S361 PolarHBondContact O-N 3.4Å; N358-S361 PolarHBondContact O-OG 3.28Å
359K56.2Low66.4Low147 Ų14763.5 Ų63.564%0.63932%0.315SS*.THydrogen-bonded Turntrans-66-21.8-179.1-104-135.4177.8163.50114.6H597K359-H597 WeakPolarHBondContact CD-CE1 3.17Å; K359-H597 VanDerWaalsContact CE-CE1 3.4Å; K359-H597 WeakPolarHBondContact CE-CE1 3.25Å; K359-H597 WeakPolarHBondContact CE-NE2 3.21Å; K359-H597 PolarHBondContact NZ-CE1 3.11Å; K359-H597 PolarHBondContact NZ-NE2 2.96Å
360N54.8Low65.5Low64 Ų6463.9 Ų63.934%0.34232%0.318SS..THydrogen-bonded Turntrans-99.114.1176.5-60.664000111.7N358 I362 E363N358-N360 PolarHBondContact O-N 3.23Å; N360-I362 PolarHBondContact O-N 2.93Å; N360-E363 HydrophobicContact CB-CB 4.48Å; N360-E363 HydrophobicContact CB-CG 4.21Å; N360-E363 PolarHBondContact ND2-OE1 2.98Å; N360-E363 PolarHBondContact ND2-OE2 2.8Å; N360-E363 VanDerWaalsContact O-CB 3.31Å; N360-E363 WeakPolarHBondContact O-CB 3.46Å; N360-E363 PolarHBondContact O-N 3.48Å
361S59Low65.3Low7 Ų760.9 Ų60.95%0.04930%0.302CS..G310 helixtrans-59.9-46.2-178570000112.4L355 F356 N358 E363 F364L355-S361 WeakPolarHBondContact O-CB 3.32Å; F356-S361 VanDerWaalsContact O-CB 3.27Å; F356-S361 WeakPolarHBondContact O-CB 3.39Å; F356-S361 PolarHBondContact O-OG 2.87Å; N358-S361 VanDerWaalsContact O-CB 3.23Å; N358-S361 WeakPolarHBondContact O-CB 3.35Å; N358-S361 PolarHBondContact O-N 3.4Å; N358-S361 PolarHBondContact O-OG 3.28Å; S361-E363 PolarHBondContact O-N 3.14Å; S361-E363 VanDerWaalsContact O-N 3.15Å; S361-F364 WeakPolarHBondContact O-CB 3.48Å; S361-F364 WeakPolarHBondContact O-CD2 3.37Å; S361-F364 PolarHBondContact O-N 3.24Å
362I57.1Low65.3Low84 Ų8460.5 Ų60.543%0.43130%0.3SS..G310 helixtrans-60.8-22.1175.6-58.4169.8000111.5N360 F364 Y371N360-I362 PolarHBondContact O-N 2.93Å; I362-F364 VanDerWaalsContact C-N 3.3Å; I362-F364 PolarHBondContact O-N 3.42Å; I362-Y371 HydrophobicContact CG1-CE2 4.35Å
363E49.5Very low65.3Low108 Ų10865 Ų6551%0.50532%0.32SS..G310 helixtrans-79.5-5175.6-51.5177.8-178.600113.9K182 N360 S361K182-E363 PolarHBondContact NZ-O 3.34Å; N360-E363 HydrophobicContact CB-CB 4.48Å; N360-E363 HydrophobicContact CB-CG 4.21Å; N360-E363 PolarHBondContact ND2-OE1 2.98Å; N360-E363 PolarHBondContact ND2-OE2 2.8Å; N360-E363 VanDerWaalsContact O-CB 3.31Å; N360-E363 WeakPolarHBondContact O-CB 3.46Å; N360-E363 PolarHBondContact O-N 3.48Å; S361-E363 PolarHBondContact O-N 3.14Å; S361-E363 VanDerWaalsContact O-N 3.15Å
364F49.2Very low65.2Low51 Ų5160.7 Ų60.722%0.22431%0.305CS..THydrogen-bonded Turntrans-92.3-26.5175.7-61-57.3000113.4H175 L178 S361 I362H175-F364 AromaticContact CE1-CZ 3.87Å; H175-F364 AromaticContact ND1-CE1 3.81Å; H175-F364 AromaticContact ND1-CZ 3.58Å; L178-F364 HydrophobicContact CD1-CD1 4.12Å; L178-F364 HydrophobicContact CD1-CE1 4.33Å; L178-F364 HydrophobicContact CD2-CD1 4.29Å; L178-F364 HydrophobicContact CD2-CE1 4.26Å; S361-F364 WeakPolarHBondContact O-CB 3.48Å; S361-F364 WeakPolarHBondContact O-CD2 3.37Å; S361-F364 PolarHBondContact O-N 3.24Å; I362-F364 VanDerWaalsContact C-N 3.3Å; I362-F364 PolarHBondContact O-N 3.42Å
365D53.8Low65.8Low33 Ų3355.8 Ų55.818%0.17628%0.282CS..SBendtrans-93.2148176.2-81.2-59.6000110.6N367 D370 Y371 N374D365-N367 VanDerWaalsContact C-N 3.29Å; D365-N367 PolarHBondContact O-N 3.18Å; D365-D370 HydrophobicContact CB-CB 4.25Å; D365-Y371 HydrophobicContact CB-CD2 4.45Å; D365-Y371 VanDerWaalsContact OD2-CA 3.29Å; D365-Y371 WeakPolarHBondContact OD2-CA 3.35Å; D365-Y371 VanDerWaalsContact OD2-CD2 3.29Å; D365-Y371 WeakPolarHBondContact OD2-CD2 3.42Å; D365-N374 PolarHBondContact OD1-ND2 2.98Å
366T48.5Very low66.4Low80 Ų8056.5 Ų56.549%0.49128%0.283SS..SBendtrans-67.2-32.9-173.7750000112.6Y225 D370Y225-T366 HydrophobicContact CE1-CG2 4.43Å; T366-D370 PolarHBondContact OG1-OD2 3.49Å
367N64.8Low66.5Low106 Ų10657.8 Ų57.857%0.56729%0.29SS*.SBendtrans-156.7159.5-174.6-68.1-87.6000108.9D365 I369 D370 Y371D365-N367 VanDerWaalsContact C-N 3.29Å; D365-N367 PolarHBondContact O-N 3.18Å; N367-I369 PolarHBondContact O-N 3.14Å; N367-D370 PolarHBondContact O-N 3.03Å; N367-Y371 PolarHBondContact O-N 3.24Å
368D67.6Low67Low72 Ų7257.3 Ų57.339%0.38529%0.286SS..Hα-helixtrans-49.1-34.1174.5-82.2-77.4000113.6D370 Y371 I372 Y411D368-D370 PolarHBondContact O-N 2.86Å; D368-Y371 PolarHBondContact O-N 3.03Å; D368-I372 WeakPolarHBondContact O-CD1 3.28Å; D368-I372 VanDerWaalsContact O-CG1 3.24Å; D368-I372 WeakPolarHBondContact O-CG1 3.44Å; D368-I372 PolarHBondContact O-N 3.26Å; D368-Y411 PolarHBondContact OD1-OH 2.88Å
369I72.1Confident67.8Low130 Ų13055 Ų5567%0.66727%0.274SS*.Hα-helixtrans-61.8-42.9-179.2-59.8175.1000111.5N367 K373N367-I369 PolarHBondContact O-N 3.14Å; I369-K373 WeakPolarHBondContact O-CB 3.49Å; I369-K373 PolarHBondContact O-N 3.01Å
370D67.8Low69.1Low39 Ų3953.3 Ų53.321%0.20926%0.264CS..Hα-helixtrans-70.7-37.9177.5-81-39.7000111.1D365 T366 N367 D368 K373 N374D365-D370 HydrophobicContact CB-CB 4.25Å; T366-D370 PolarHBondContact OG1-OD2 3.49Å; N367-D370 PolarHBondContact O-N 3.03Å; D368-D370 PolarHBondContact O-N 2.86Å; D370-K373 CarbonylContact O-C 3.57Å; D370-K373 WeakPolarHBondContact O-CB 3.4Å; D370-K373 PolarHBondContact O-N 3.28Å; D370-K373 IonicContact OD1-NZ 3.86Å; D370-K373 PolarHBondContact OD1-NZ 3.34Å; D370-N374 VanDerWaalsContact O-CB 3.31Å; D370-N374 WeakPolarHBondContact O-CB 3.48Å; D370-N374 VanDerWaalsContact O-CG 3.32Å; D370-N374 PolarHBondContact O-N 3.01Å; D370-N374 PolarHBondContact O-ND2 3.4Å
371Y72.8Confident70.5Confident4 Ų450.4 Ų50.42%0.01625%0.248CC..Hα-helixtrans-61.7-46.5175.4-174.6-95.4000112.1F356 I362 D365 N367 D368 K373 N374 I375 L408 I412F356-Y371 HydrophobicContact CD1-CD2 4.37Å; F356-Y371 AromaticContact CD1-CE2 3.81Å; F356-Y371 HydrophobicContact CD1-CE2 3.81Å; F356-Y371 PolarHBondContact O-OH 3.48Å; I362-Y371 HydrophobicContact CG1-CE2 4.35Å; D365-Y371 HydrophobicContact CB-CD2 4.45Å; D365-Y371 VanDerWaalsContact OD2-CA 3.29Å; D365-Y371 WeakPolarHBondContact OD2-CA 3.35Å; D365-Y371 VanDerWaalsContact OD2-CD2 3.29Å; D365-Y371 WeakPolarHBondContact OD2-CD2 3.42Å; N367-Y371 PolarHBondContact O-N 3.24Å; D368-Y371 PolarHBondContact O-N 3.03Å; Y371-K373 PolarHBondContact O-N 3.32Å; Y371-N374 PolarHBondContact O-N 2.9Å; Y371-I375 HydrophobicContact CD1-CD1 3.72Å; Y371-I375 HydrophobicContact CE1-CD1 3.36Å; Y371-I375 HydrophobicContact CG-CD1 4.46Å; Y371-I375 WeakPolarHBondContact O-CG1 3.26Å; Y371-I375 PolarHBondContact O-N 2.82Å; Y371-L408 HydrophobicContact CE1-CD2 3.99Å; Y371-L408 WeakPolarHBondContact OH-CD2 3.47Å; Y371-I412 HydrophobicContact CD1-CD1 3.58Å; Y371-I412 HydrophobicContact CE1-CD1 3.51Å
372I77.3Confident71.8Confident12 Ų1250 Ų506%0.06225%0.246CC..Hα-helixtrans-61.8-43.6174.3-65.5162.4000110.9D368 I375 K376 Y411 I412 E415D368-I372 WeakPolarHBondContact O-CD1 3.28Å; D368-I372 VanDerWaalsContact O-CG1 3.24Å; D368-I372 WeakPolarHBondContact O-CG1 3.44Å; D368-I372 PolarHBondContact O-N 3.26Å; I372-I375 PolarHBondContact O-N 2.94Å; I372-K376 WeakPolarHBondContact O-CB 3.5Å; I372-K376 PolarHBondContact O-N 3.45Å; I372-Y411 HydrophobicContact CD1-CD2 4.33Å; I372-Y411 HydrophobicContact CD1-CE2 4.23Å; I372-I412 HydrophobicContact CD1-CG1 4.5Å; I372-I412 HydrophobicContact CG1-CB 4.44Å; I372-I412 HydrophobicContact CG1-CD1 4.18Å; I372-I412 HydrophobicContact CG1-CG1 3.97Å; I372-I412 HydrophobicContact CG1-CG2 4.09Å; I372-E415 HydrophobicContact CG2-CB 3.97Å
373K80.2Confident73.2Confident95 Ų9546.8 Ų46.841%0.41323%0.229SC..Hα-helixtrans-64.5-39.3177.6168.7-179.1150-151.10112.3I369 D370 Y371 K376 I377I369-K373 WeakPolarHBondContact O-CB 3.49Å; I369-K373 PolarHBondContact O-N 3.01Å; D370-K373 CarbonylContact O-C 3.57Å; D370-K373 WeakPolarHBondContact O-CB 3.4Å; D370-K373 PolarHBondContact O-N 3.28Å; D370-K373 IonicContact OD1-NZ 3.86Å; D370-K373 PolarHBondContact OD1-NZ 3.34Å; Y371-K373 PolarHBondContact O-N 3.32Å; K373-K376 WeakPolarHBondContact O-CB 3.39Å; K373-K376 PolarHBondContact O-N 2.91Å; K373-I377 HydrophobicContact CG-CD1 4.21Å; K373-I377 WeakPolarHBondContact O-CG1 3.16Å; K373-I377 PolarHBondContact O-N 3.37Å
374N75.8Confident74.8Confident20 Ų2044.8 Ų44.811%0.10722%0.222CC..Hα-helixtrans-69-40.6176.7-78.3-24.7000111.3L323 F356 D365 D370 Y371 K376 I377 F378L323-N374 HydrophobicContact CD1-CB 4.01Å; L323-N374 WeakPolarHBondContact CD1-O 3.19Å; F356-N374 HydrophobicContact CE1-CB 4.07Å; F356-N374 HydrophobicContact CZ-CB 4.27Å; D365-N374 PolarHBondContact OD1-ND2 2.98Å; D370-N374 VanDerWaalsContact O-CB 3.31Å; D370-N374 WeakPolarHBondContact O-CB 3.48Å; D370-N374 VanDerWaalsContact O-CG 3.32Å; D370-N374 PolarHBondContact O-N 3.01Å; D370-N374 PolarHBondContact O-ND2 3.4Å; Y371-N374 PolarHBondContact O-N 2.9Å; N374-K376 VanDerWaalsContact C-N 3.31Å; N374-K376 PolarHBondContact O-N 3.02Å; N374-I377 PolarHBondContact O-N 2.88Å; N374-F378 VanDerWaalsContact O-CB 3.29Å; N374-F378 WeakPolarHBondContact O-CB 3.31Å; N374-F378 PolarHBondContact O-N 3.42Å
375I81.8Confident76.5Confident0 Ų042.4 Ų42.40%021%0.211CC..Hα-helixtrans-59.7-42.1170.2-71.9162.1000111.4F356 Y371 I372 I377 F378 L379 L404 L408 I412F356-I375 HydrophobicContact CD1-CD1 4.11Å; F356-I375 HydrophobicContact CD1-CG1 3.61Å; F356-I375 HydrophobicContact CE1-CD1 4.49Å; F356-I375 HydrophobicContact CE1-CG1 3.62Å; F356-I375 HydrophobicContact CG-CG1 4.15Å; F356-I375 HydrophobicContact CZ-CG1 4.16Å; Y371-I375 HydrophobicContact CD1-CD1 3.72Å; Y371-I375 HydrophobicContact CE1-CD1 3.36Å; Y371-I375 HydrophobicContact CG-CD1 4.46Å; Y371-I375 WeakPolarHBondContact O-CG1 3.26Å; Y371-I375 PolarHBondContact O-N 2.82Å; I372-I375 PolarHBondContact O-N 2.94Å; I375-I377 PolarHBondContact O-N 3.47Å; I375-F378 PolarHBondContact O-N 3.33Å; I375-L379 HydrophobicContact CG2-CD1 3.9Å; I375-L379 HydrophobicContact CG2-CG 4.34Å; I375-L379 VanDerWaalsContact O-CG 3.3Å; I375-L379 WeakPolarHBondContact O-CG 3.36Å; I375-L379 PolarHBondContact O-N 3.22Å; I375-L404 HydrophobicContact CG2-CD2 4.5Å; I375-L408 HydrophobicContact CD1-CD1 3.88Å; I375-L408 HydrophobicContact CD1-CD2 3.39Å; I375-L408 HydrophobicContact CD1-CG 4.29Å; I375-L408 HydrophobicContact CG1-CD2 4.46Å; I375-L408 HydrophobicContact CG2-CD1 3.97Å; I375-I412 HydrophobicContact CD1-CG2 3.62Å; I375-I412 HydrophobicContact CG2-CG2 4.48Å
376K83.6Confident78Confident68 Ų6840.9 Ų40.930%0.29620%0.203SC..Hα-helixtrans-61.2-42.6177.2-160.9171.1-161.7148.60112.8I372 K373 N374 R380 N416 E419I372-K376 WeakPolarHBondContact O-CB 3.5Å; I372-K376 PolarHBondContact O-N 3.45Å; K373-K376 WeakPolarHBondContact O-CB 3.39Å; K373-K376 PolarHBondContact O-N 2.91Å; N374-K376 VanDerWaalsContact C-N 3.31Å; N374-K376 PolarHBondContact O-N 3.02Å; K376-R380 VanDerWaalsContact O-CG 3.31Å; K376-R380 WeakPolarHBondContact O-CG 3.44Å; K376-R380 PolarHBondContact O-N 3.35Å; K376-N416 WeakPolarHBondContact CA-OD1 3.23Å; K376-N416 VanDerWaalsContact CB-OD1 3.25Å; K376-N416 WeakPolarHBondContact CB-OD1 3.37Å; K376-N416 WeakPolarHBondContact CG-OD1 3.36Å; K376-E419 HydrophobicContact CG-CG 4.06Å
377I80.7Confident79.6Confident33 Ų3342.6 Ų42.617%0.16920%0.202CC..Hα-helixtrans-67.5-42.8174.7-66.5164.4000110.2I321 L323 K373 N374 I375 R380 N381I321-I377 HydrophobicContact CB-CD1 4.29Å; I321-I377 HydrophobicContact CB-CG2 4.44Å; I321-I377 HydrophobicContact CD1-CD1 3.95Å; I321-I377 HydrophobicContact CG1-CD1 4.21Å; I321-I377 WeakPolarHBondContact O-CG2 3.14Å; L323-I377 HydrophobicContact CD1-CB 3.86Å; L323-I377 HydrophobicContact CD1-CG2 3.81Å; L323-I377 HydrophobicContact CG-CG2 4.29Å; K373-I377 HydrophobicContact CG-CD1 4.21Å; K373-I377 WeakPolarHBondContact O-CG1 3.16Å; K373-I377 PolarHBondContact O-N 3.37Å; N374-I377 PolarHBondContact O-N 2.88Å; I375-I377 PolarHBondContact O-N 3.47Å; I377-R380 WeakPolarHBondContact O-CB 3.33Å; I377-R380 PolarHBondContact O-N 3.34Å; I377-N381 VanDerWaalsContact O-CG 3.23Å; I377-N381 PolarHBondContact O-N 3.28Å; I377-N381 PolarHBondContact O-OD1 2.94Å
378F84.5Confident80.3Confident0 Ų042.3 Ų42.30%020%0.197CC..Hα-helixtrans-61.9-45.1178.9-175.8-101.4000112.8L323 I324 L348 T352 F356 N374 I375 R380 N381 I382 L404L323-F378 HydrophobicContact CB-CD2 4.44Å; L323-F378 HydrophobicContact CD1-CB 4.07Å; I324-F378 HydrophobicContact CD1-CE2 4.43Å; I324-F378 HydrophobicContact CG1-CD2 4.32Å; I324-F378 HydrophobicContact CG1-CE2 4.1Å; L348-F378 HydrophobicContact CD1-CE2 3.66Å; L348-F378 HydrophobicContact CD1-CZ 3.83Å; L348-F378 HydrophobicContact CG-CZ 4.48Å; T352-F378 HydrophobicContact CG2-CE1 3.98Å; T352-F378 HydrophobicContact CG2-CZ 4.11Å; T352-F378 WeakPolarHBondContact OG1-CZ 3.25Å; F356-F378 HydrophobicContact CE2-CB 3.98Å; F356-F378 HydrophobicContact CE2-CD1 4.09Å; F356-F378 HydrophobicContact CE2-CD2 4.03Å; F356-F378 AromaticContact CE2-CG 3.76Å; F356-F378 HydrophobicContact CE2-CG 3.76Å; F356-F378 HydrophobicContact CZ-CB 4.16Å; F356-F378 HydrophobicContact CZ-CG 4.43Å; N374-F378 VanDerWaalsContact O-CB 3.29Å; N374-F378 WeakPolarHBondContact O-CB 3.31Å; N374-F378 PolarHBondContact O-N 3.42Å; I375-F378 PolarHBondContact O-N 3.33Å; F378-R380 VanDerWaalsContact C-N 3.33Å; F378-R380 PolarHBondContact O-N 3.46Å; F378-N381 PolarHBondContact O-N 2.93Å; F378-I382 HydrophobicContact CD1-CD1 4.1Å; F378-I382 HydrophobicContact CE1-CD1 3.36Å; F378-I382 HydrophobicContact CE1-CG1 4.16Å; F378-I382 HydrophobicContact CZ-CD1 3.63Å; F378-I382 HydrophobicContact CZ-CG1 4.19Å; F378-I382 PolarHBondContact O-N 3.05Å; F378-L404 HydrophobicContact CD1-CD2 3.89Å; F378-L404 HydrophobicContact CE1-CD2 4.11Å
379L86.4Confident81Confident2 Ų240 Ų401%0.0118%0.184CC..Hα-helixtrans-61.9-38.9175.2-68.7168.7000111.9I375 I382 L383 V401 L404 N416 E419 I420 L423I375-L379 HydrophobicContact CG2-CD1 3.9Å; I375-L379 HydrophobicContact CG2-CG 4.34Å; I375-L379 VanDerWaalsContact O-CG 3.3Å; I375-L379 WeakPolarHBondContact O-CG 3.36Å; I375-L379 PolarHBondContact O-N 3.22Å; L379-I382 PolarHBondContact O-N 3.04Å; L379-L383 WeakPolarHBondContact O-CB 3.43Å; L379-L383 PolarHBondContact O-N 3.18Å; L379-V401 HydrophobicContact CD2-CG1 4.24Å; L379-L404 HydrophobicContact CD2-CD2 4.24Å; L379-N416 HydrophobicContact CD1-CB 3.93Å; L379-E419 HydrophobicContact CB-CB 4.22Å; L379-E419 HydrophobicContact CD1-CB 4.31Å; L379-I420 HydrophobicContact CD1-CG1 4.04Å; L379-L423 HydrophobicContact CD2-CD1 3.72Å
380R85Confident81.4Confident111 Ų11135.8 Ų35.842%0.41916%0.164SC..Hα-helixtrans-66.1-39.5173.4-72.8172176.5-1680.7112.5K376 I377 F378 L383 N384 E419K376-R380 VanDerWaalsContact O-CG 3.31Å; K376-R380 WeakPolarHBondContact O-CG 3.44Å; K376-R380 PolarHBondContact O-N 3.35Å; I377-R380 WeakPolarHBondContact O-CB 3.33Å; I377-R380 PolarHBondContact O-N 3.34Å; F378-R380 VanDerWaalsContact C-N 3.33Å; F378-R380 PolarHBondContact O-N 3.46Å; R380-L383 WeakPolarHBondContact O-CB 3.49Å; R380-L383 PolarHBondContact O-N 3.33Å; R380-N384 VanDerWaalsContact O-CG 3.24Å; R380-N384 PolarHBondContact O-N 3.48Å; R380-N384 PolarHBondContact O-ND2 3.04Å; R380-E419 IonicContact CZ-OE1 2.78Å; R380-E419 IonicContact NE-OE1 3.6Å; R380-E419 PolarHBondContact NE-OE1 2.96Å; R380-E419 IonicContact NE-OE2 2.69Å; R380-E419 IonicContact NH2-OE1 2.7Å; R380-E419 PolarHBondContact NH2-OE1 3.27Å
381N83.7Confident81.8Confident3 Ų335.4 Ų35.42%0.01616%0.161CC..Hα-helixtrans-65.8-41.4177-68.8-7.8000111I321 I324 I377 F378 N384 V385I321-N381 PolarHBondContact O-ND2 3.11Å; I324-N381 HydrophobicContact CD1-CB 3.77Å; I324-N381 HydrophobicContact CG1-CB 4.23Å; I377-N381 VanDerWaalsContact O-CG 3.23Å; I377-N381 PolarHBondContact O-N 3.28Å; I377-N381 PolarHBondContact O-OD1 2.94Å; F378-N381 PolarHBondContact O-N 2.93Å; N381-N384 PolarHBondContact O-N 2.78Å; N381-V385 WeakPolarHBondContact O-CG2 3.13Å; N381-V385 PolarHBondContact O-N 3.33Å
382I86.1Confident82Confident0 Ų038.1 Ų38.10%018%0.176CC..Hα-helixtrans-61.2-44.6170.3-70.4-174.9000111.3F378 L379 N384 V385 M386 L397 V401 L423F378-I382 HydrophobicContact CD1-CD1 4.1Å; F378-I382 HydrophobicContact CE1-CD1 3.36Å; F378-I382 HydrophobicContact CE1-CG1 4.16Å; F378-I382 HydrophobicContact CZ-CD1 3.63Å; F378-I382 HydrophobicContact CZ-CG1 4.19Å; F378-I382 PolarHBondContact O-N 3.05Å; L379-I382 PolarHBondContact O-N 3.04Å; I382-N384 PolarHBondContact O-N 3.12Å; I382-V385 WeakPolarHBondContact O-CB 3.31Å; I382-V385 PolarHBondContact O-N 2.96Å; I382-M386 HydrophobicContact CG2-CG 4.16Å; I382-M386 HydrophobicContact CG2-SD 3.88Å; I382-M386 WeakPolarHBondContact O-CG 3.41Å; I382-M386 PolarHBondContact O-N 3.43Å; I382-L397 HydrophobicContact CG2-CB 4.24Å; I382-V401 HydrophobicContact CD1-CG2 3.95Å; I382-V401 HydrophobicContact CG2-CG2 4.03Å; I382-L423 HydrophobicContact CB-CD2 4.38Å; I382-L423 HydrophobicContact CG2-CD2 3.84Å
383L85.7Confident82.3Confident16 Ų1637.5 Ų37.58%0.08417%0.173CC..Hα-helixtrans-58.1-46.4178.417965.9000112L379 R380 V385 M386 Y387 R422 L423 P426L379-L383 WeakPolarHBondContact O-CB 3.43Å; L379-L383 PolarHBondContact O-N 3.18Å; R380-L383 WeakPolarHBondContact O-CB 3.49Å; R380-L383 PolarHBondContact O-N 3.33Å; L383-V385 VanDerWaalsContact C-N 3.34Å; L383-V385 PolarHBondContact O-N 3.33Å; L383-M386 PolarHBondContact O-N 2.9Å; L383-Y387 HydrophobicContact CD1-CD2 4.23Å; L383-Y387 HydrophobicContact CD1-CE2 3.63Å; L383-Y387 HydrophobicContact CD2-CE2 4.35Å; L383-Y387 HydrophobicContact CG-CD2 4.19Å; L383-Y387 HydrophobicContact CG-CE2 3.74Å; L383-Y387 VanDerWaalsContact O-CD2 3.24Å; L383-Y387 WeakPolarHBondContact O-CD2 3.44Å; L383-Y387 PolarHBondContact O-N 2.87Å; L383-R422 HydrophobicContact CD1-CB 4.39Å; L383-R422 WeakPolarHBondContact CD1-O 3.28Å; L383-R422 HydrophobicContact CD2-CB 3.8Å; L383-L423 HydrophobicContact CB-CD2 3.71Å; L383-L423 HydrophobicContact CD1-CD2 4.11Å; L383-P426 HydrophobicContact CD1-CG 4.09Å
384N83.7Confident82.5Confident66 Ų6633.2 Ų33.235%0.35316%0.155SC..Hα-helixtrans-60.9-42.5177.1-69.1-14.5000111.4R380 N381 I382 H388R380-N384 VanDerWaalsContact O-CG 3.24Å; R380-N384 PolarHBondContact O-N 3.48Å; R380-N384 PolarHBondContact O-ND2 3.04Å; N381-N384 PolarHBondContact O-N 2.78Å; I382-N384 PolarHBondContact O-N 3.12Å; N384-H388 PolarHBondContact O-CD2 2.81Å
385V84.3Confident82.8Confident0 Ų033.7 Ų33.70%016%0.157CC..Hα-helixtrans-59-51.2172.1172.90000110.1Y329 L332 N381 I382 L383 Y387 H388 Q389 L397Y329-V385 HydrophobicContact CD1-CG2 4.07Å; Y329-V385 HydrophobicContact CE1-CG2 3.69Å; L332-V385 HydrophobicContact CD1-CG1 4.12Å; L332-V385 HydrophobicContact CD1-CG2 4.09Å; L332-V385 HydrophobicContact CD2-CG1 4.33Å; N381-V385 WeakPolarHBondContact O-CG2 3.13Å; N381-V385 PolarHBondContact O-N 3.33Å; I382-V385 WeakPolarHBondContact O-CB 3.31Å; I382-V385 PolarHBondContact O-N 2.96Å; L383-V385 VanDerWaalsContact C-N 3.34Å; L383-V385 PolarHBondContact O-N 3.33Å; V385-Y387 VanDerWaalsContact C-N 3.29Å; V385-Y387 PolarHBondContact O-N 3.24Å; V385-H388 PolarHBondContact O-N 2.8Å; V385-Q389 HydrophobicContact CG1-CG 3.88Å; V385-Q389 WeakPolarHBondContact O-CG 3.35Å; V385-L397 HydrophobicContact CB-CD1 4.47Å; V385-L397 HydrophobicContact CG1-CD1 3.68Å; V385-L397 HydrophobicContact CG1-CD2 4.38Å
386M85Confident82.9Confident1 Ų136.3 Ų36.31%0.00517%0.169CC..Hα-helixtrans-57.9-34.7-173.5-74.5175.57000114.7I382 L383 H388 Q389 N394 L397 M398 L423 P426 I427I382-M386 HydrophobicContact CG2-CG 4.16Å; I382-M386 HydrophobicContact CG2-SD 3.88Å; I382-M386 WeakPolarHBondContact O-CG 3.41Å; I382-M386 PolarHBondContact O-N 3.43Å; L383-M386 PolarHBondContact O-N 2.9Å; M386-H388 PolarHBondContact O-N 3Å; M386-Q389 PolarHBondContact O-N 3.28Å; M386-N394 WeakPolarHBondContact CA-OD1 3.47Å; M386-N394 WeakPolarHBondContact CB-OD1 3.23Å; M386-N394 HydrophobicContact CE-CB 3.98Å; M386-N394 WeakPolarHBondContact CG-OD1 3.47Å; M386-N394 PolarHBondContact O-ND2 3.25Å; M386-N394 PolarHBondContact O-OD1 3.15Å; M386-L397 HydrophobicContact CB-CD1 4.49Å; M386-L397 HydrophobicContact CG-CB 4.1Å; M386-L397 HydrophobicContact CG-CD1 3.55Å; M386-L397 HydrophobicContact CG-CG 4.45Å; M386-L397 HydrophobicContact SD-CB 4.48Å; M386-M398 HydrophobicContact CE-CG 3.95Å; M386-M398 HydrophobicContact CE-SD 3.4Å; M386-M398 WeakPolarHBondContact CE-SD 3.47Å; M386-M398 HydrophobicContact SD-SD 3.46Å; M386-L423 WeakPolarHBondContact CE-O 3.26Å; M386-L423 HydrophobicContact SD-CB 4.49Å; M386-L423 HydrophobicContact SD-CD2 3.56Å; M386-L423 VanDerWaalsContact SD-CD2 3.56Å; M386-P426 HydrophobicContact CB-CB 4.34Å; M386-P426 HydrophobicContact CB-CG 4.12Å; M386-P426 HydrophobicContact CE-CB 4.35Å; M386-P426 HydrophobicContact CE-CG 4.39Å; M386-I427 HydrophobicContact CE-CD1 3.9Å; M386-I427 HydrophobicContact CE-CG1 3.69Å
387Y82.3Confident83.1Confident117 Ų11733 Ų3346%0.45916%0.155SC..Hα-helixtrans-63-25.2177-83.2-67.4000113.8L383 V385 H425 P426L383-Y387 HydrophobicContact CD1-CD2 4.23Å; L383-Y387 HydrophobicContact CD1-CE2 3.63Å; L383-Y387 HydrophobicContact CD2-CE2 4.35Å; L383-Y387 HydrophobicContact CG-CD2 4.19Å; L383-Y387 HydrophobicContact CG-CE2 3.74Å; L383-Y387 VanDerWaalsContact O-CD2 3.24Å; L383-Y387 WeakPolarHBondContact O-CD2 3.44Å; L383-Y387 PolarHBondContact O-N 2.87Å; V385-Y387 VanDerWaalsContact C-N 3.29Å; V385-Y387 PolarHBondContact O-N 3.24Å; Y387-H425 AromaticContact CE1-CD2 3.96Å; Y387-H425 PolarHBondContact OH-CD2 3.47Å; Y387-H425 VanDerWaalsContact OH-CD2 3.24Å; Y387-P426 HydrophobicContact CD1-CG 4.08Å; Y387-P426 HydrophobicContact CD2-CG 4.42Å; Y387-P426 HydrophobicContact CE1-CG 3.93Å; Y387-P426 HydrophobicContact CE2-CG 4.29Å; Y387-P426 HydrophobicContact CG-CG 4.32Å
388H80.8Confident83.3Confident99 Ų9931.5 Ų31.546%0.45815%0.147SC..THydrogen-bonded Turntrans-994.2-176-63.5-50.8000113.8Y333 K335 N384 V385 M386Y333-H388 HydrophobicContact CD1-CB 4.48Å; Y333-H388 HydrophobicContact CE1-CB 3.76Å; Y333-H388 AromaticContact CE1-CD2 3.82Å; K335-H388 WeakPolarHBondContact CE-O 3.47Å; K335-H388 PolarHBondContact NZ-O 3.08Å; N384-H388 PolarHBondContact O-CD2 2.81Å; V385-H388 PolarHBondContact O-N 2.8Å; M386-H388 PolarHBondContact O-N 3Å
389Q82.1Confident83.3Confident24 Ų2433.6 Ų33.611%0.11216%0.158CC..SBendtrans-115.5165.9-164.7-69.3-67.6-4.800114.1L332 V385 M386 I393L332-Q389 PolarHBondContact O-NE2 3.06Å; V385-Q389 HydrophobicContact CG1-CG 3.88Å; V385-Q389 WeakPolarHBondContact O-CG 3.35Å; M386-Q389 PolarHBondContact O-N 3.28Å; Q389-I393 HydrophobicContact CB-CB 3.95Å; Q389-I393 HydrophobicContact CB-CG2 3.5Å; Q389-I393 HydrophobicContact CG-CB 4.5Å; Q389-I393 HydrophobicContact CG-CG2 3.61Å
390T79.6Confident83.3Confident41 Ų4133.6 Ų33.625%0.25216%0.158SC..  trans-72.2156.9172.663.20000111D392 I393 N394 M629T390-D392 PolarHBondContact O-N 3.01Å; T390-I393 WeakPolarHBondContact O-CB 3.47Å; T390-I393 PolarHBondContact O-N 3.39Å; T390-I393 VanDerWaalsContact O-N 3.12Å; T390-I393 VanDerWaalsContact OG1-CG1 3.25Å; T390-I393 WeakPolarHBondContact OG1-CG1 3.39Å; T390-N394 PolarHBondContact O-N 2.97Å; T390-M629 HydrophobicContact CG2-CE 3.77Å; T390-M629 HydrophobicContact CG2-SD 4.42Å
391M77Confident83.5Confident31 Ų3128.3 Ų28.315%0.15314%0.138CC..Hα-helixtrans-62.4-31.8-176.3-92.8-55.2-56.100114.2N394 I395 I427 N430 I435M391-N394 WeakPolarHBondContact O-CB 3.24Å; M391-N394 PolarHBondContact O-N 3.17Å; M391-N394 HydrophobicContact SD-CB 4.36Å; M391-I395 PolarHBondContact O-N 3.04Å; M391-I427 HydrophobicContact CE-CG2 4.33Å; M391-N430 HydrophobicContact CE-CB 3.84Å; M391-N430 HydrophobicContact CG-CB 3.64Å; M391-N430 VanDerWaalsContact CG-OD1 3.29Å; M391-N430 WeakPolarHBondContact CG-OD1 3.45Å; M391-N430 HydrophobicContact SD-CB 3.48Å; M391-N430 WeakPolarHBondContact SD-CB 3.42Å; M391-N430 PolarHBondContact SD-ND2 3.15Å; M391-I435 HydrophobicContact CE-CD1 3.46Å; M391-I435 VanDerWaalsContact CE-CD1 3.46Å; M391-I435 HydrophobicContact CE-CG1 3.94Å
392D76.3Confident83.5Confident61 Ų6128.4 Ų28.433%0.32614%0.138SC..Hα-helixtrans-79.6-26.9179.2-42.4-78000111.5T390 N394 I395 H396 L624T390-D392 PolarHBondContact O-N 3.01Å; D392-N394 VanDerWaalsContact C-N 3.32Å; D392-I395 WeakPolarHBondContact O-CB 3.4Å; D392-H396 PolarHBondContact O-CD2 3.47Å; D392-H396 PolarHBondContact O-N 3.13Å; D392-H396 VanDerWaalsContact O-N 3.16Å; D392-L624 HydrophobicContact CB-CD1 3.39Å; D392-L624 HydrophobicContact CB-CD2 3.54Å; D392-L624 HydrophobicContact CB-CG 3.46Å; D392-L624 VanDerWaalsContact CB-CG 3.46Å
393I83.6Confident83.5Confident0 Ų029.4 Ų29.40%014%0.143CC..Hα-helixtrans-61.8-42.5163.1-70.7-78.2000110.1Y338 Q341 L342 I345 Q389 T390 H396 L397Y338-I393 HydrophobicContact CE2-CD1 3.73Å; Y338-I393 HydrophobicContact CE2-CG1 4.12Å; Q341-I393 HydrophobicContact CB-CD1 3.8Å; L342-I393 HydrophobicContact CD2-CD1 3.31Å; I345-I393 HydrophobicContact CD1-CD1 3.75Å; I345-I393 HydrophobicContact CD1-CG2 4.03Å; Q389-I393 HydrophobicContact CB-CB 3.95Å; Q389-I393 HydrophobicContact CB-CG2 3.5Å; Q389-I393 HydrophobicContact CG-CB 4.5Å; Q389-I393 HydrophobicContact CG-CG2 3.61Å; T390-I393 WeakPolarHBondContact O-CB 3.47Å; T390-I393 PolarHBondContact O-N 3.39Å; T390-I393 VanDerWaalsContact O-N 3.12Å; T390-I393 VanDerWaalsContact OG1-CG1 3.25Å; T390-I393 WeakPolarHBondContact OG1-CG1 3.39Å; I393-H396 CarbonylContact O-C 3.6Å; I393-H396 WeakPolarHBondContact O-CA 3.3Å; I393-H396 WeakPolarHBondContact O-CB 3.46Å; I393-H396 PolarHBondContact O-N 2.87Å; I393-L397 HydrophobicContact CG2-CD1 3.66Å; I393-L397 HydrophobicContact CG2-CG 4.16Å; I393-L397 WeakPolarHBondContact O-CG 3.37Å; I393-L397 PolarHBondContact O-N 3.39Å
394N84.6Confident83.6Confident5 Ų528.7 Ų28.73%0.02714%0.139CC..Hα-helixtrans-64.9-42.4178.7-70.6-11.7000111.7M386 T390 M391 D392 H396 L397 M398M386-N394 WeakPolarHBondContact CA-OD1 3.47Å; M386-N394 WeakPolarHBondContact CB-OD1 3.23Å; M386-N394 HydrophobicContact CE-CB 3.98Å; M386-N394 WeakPolarHBondContact CG-OD1 3.47Å; M386-N394 PolarHBondContact O-ND2 3.25Å; M386-N394 PolarHBondContact O-OD1 3.15Å; T390-N394 PolarHBondContact O-N 2.97Å; M391-N394 WeakPolarHBondContact O-CB 3.24Å; M391-N394 PolarHBondContact O-N 3.17Å; M391-N394 HydrophobicContact SD-CB 4.36Å; D392-N394 VanDerWaalsContact C-N 3.32Å; N394-H396 PolarHBondContact O-N 3.18Å; N394-L397 PolarHBondContact O-N 2.96Å; N394-M398 VanDerWaalsContact O-CG 3.29Å; N394-M398 WeakPolarHBondContact O-CG 3.38Å; N394-M398 PolarHBondContact O-N 3.42Å
395I81.4Confident83.7Confident30 Ų3025.8 Ų25.815%0.15412%0.124CC..Hα-helixtrans-48.1-42.8166.9-82173.1000111M391 D392 N399 I438M391-I395 PolarHBondContact O-N 3.04Å; D392-I395 WeakPolarHBondContact O-CB 3.4Å; I395-N399 PolarHBondContact O-N 3.11Å; I395-N399 PolarHBondContact O-ND2 3.44Å; I395-I438 HydrophobicContact CB-CD1 4.05Å; I395-I438 HydrophobicContact CG1-CD1 4.23Å; I395-I438 HydrophobicContact CG2-CD1 3.68Å; I395-I438 WeakPolarHBondContact O-CD1 3.44Å
396H84.7Confident83.5Confident54 Ų5427.4 Ų27.425%0.2513%0.132CC..Hα-helixtrans-78.2-42.4-178.4-71.1-45.2000114.4I345 D392 I393 N394 M398 N399 I400 I622 L624I345-H396 HydrophobicContact CD1-CB 4.31Å; D392-H396 PolarHBondContact O-CD2 3.47Å; D392-H396 PolarHBondContact O-N 3.13Å; D392-H396 VanDerWaalsContact O-N 3.16Å; I393-H396 CarbonylContact O-C 3.6Å; I393-H396 WeakPolarHBondContact O-CA 3.3Å; I393-H396 WeakPolarHBondContact O-CB 3.46Å; I393-H396 PolarHBondContact O-N 2.87Å; N394-H396 PolarHBondContact O-N 3.18Å; H396-M398 PolarHBondContact O-N 2.85Å; H396-N399 PolarHBondContact CE1-ND2 2.87Å; H396-N399 WeakPolarHBondContact O-CB 3.27Å; H396-N399 PolarHBondContact O-N 2.96Å; H396-I400 PolarHBondContact O-N 2.96Å; H396-I622 HydrophobicContact CB-CB 4.05Å; H396-I622 HydrophobicContact CB-CD1 4Å; H396-I622 HydrophobicContact CB-CG1 3.71Å; H396-I622 HydrophobicContact CB-CG2 3.39Å; H396-I622 PolarHBondContact CD2-O 2.91Å; H396-I622 VanDerWaalsContact CD2-O 3.3Å; H396-I622 WeakPolarHBondContact CE1-CG1 3.42Å; H396-L624 VanDerWaalsContact CD2-CD1 3.41Å; H396-L624 WeakPolarHBondContact CD2-CD1 3.21Å
397L87.5Confident83.3Confident0 Ų030 Ų300%014%0.143CC..Hα-helixtrans-56.5-38.6172.3-69.7165.2000111.1I345 L348 I382 V385 M386 I393 N394 N399 I400 V401I345-L397 HydrophobicContact CD1-CD2 4.35Å; I345-L397 HydrophobicContact CD1-CG 4.34Å; I345-L397 HydrophobicContact CG1-CD2 4.19Å; L348-L397 HydrophobicContact CD2-CD2 3.79Å; I382-L397 HydrophobicContact CG2-CB 4.24Å; V385-L397 HydrophobicContact CB-CD1 4.47Å; V385-L397 HydrophobicContact CG1-CD1 3.68Å; V385-L397 HydrophobicContact CG1-CD2 4.38Å; M386-L397 HydrophobicContact CB-CD1 4.49Å; M386-L397 HydrophobicContact CG-CB 4.1Å; M386-L397 HydrophobicContact CG-CD1 3.55Å; M386-L397 HydrophobicContact CG-CG 4.45Å; M386-L397 HydrophobicContact SD-CB 4.48Å; I393-L397 HydrophobicContact CG2-CD1 3.66Å; I393-L397 HydrophobicContact CG2-CG 4.16Å; I393-L397 WeakPolarHBondContact O-CG 3.37Å; I393-L397 PolarHBondContact O-N 3.39Å; N394-L397 PolarHBondContact O-N 2.96Å; L397-N399 VanDerWaalsContact C-N 3.27Å; L397-N399 PolarHBondContact O-N 3.44Å; L397-I400 HydrophobicContact CD2-CD1 4.1Å; L397-I400 WeakPolarHBondContact O-CB 3.46Å; L397-I400 PolarHBondContact O-N 2.83Å; L397-V401 PolarHBondContact O-N 3.29Å; L397-V401 VanDerWaalsContact O-N 3.09Å
398M85.1Confident83.2Confident1 Ų125 Ų251%0.00513%0.125CC..Hα-helixtrans-68.2-19.2174-63.9-35.5-73.100114.8M386 N394 H396 V401 L402 L423 I427 I438 M442M386-M398 HydrophobicContact CE-CG 3.95Å; M386-M398 HydrophobicContact CE-SD 3.4Å; M386-M398 WeakPolarHBondContact CE-SD 3.47Å; M386-M398 HydrophobicContact SD-SD 3.46Å; N394-M398 VanDerWaalsContact O-CG 3.29Å; N394-M398 WeakPolarHBondContact O-CG 3.38Å; N394-M398 PolarHBondContact O-N 3.42Å; H396-M398 PolarHBondContact O-N 2.85Å; M398-V401 HydrophobicContact CE-CB 3.9Å; M398-V401 HydrophobicContact CE-CG1 3.87Å; M398-V401 HydrophobicContact CE-CG2 4.06Å; M398-V401 HydrophobicContact SD-CB 4.44Å; M398-V401 HydrophobicContact SD-CG2 4.11Å; M398-L402 VanDerWaalsContact O-CB 3.3Å; M398-L402 WeakPolarHBondContact O-CB 3.49Å; M398-L402 PolarHBondContact O-N 3.3Å; M398-L423 HydrophobicContact CE-CB 3.66Å; M398-L423 HydrophobicContact CE-CD1 4.25Å; M398-L423 HydrophobicContact CE-CG 4.49Å; M398-L423 HydrophobicContact SD-CB 4.11Å; M398-I427 HydrophobicContact CE-CD1 4.25Å; M398-I427 HydrophobicContact CG-CD1 3.47Å; M398-I427 VanDerWaalsContact CG-CD1 3.47Å; M398-I427 HydrophobicContact SD-CD1 3.97Å; M398-I438 HydrophobicContact CB-CG2 3.67Å; M398-I438 HydrophobicContact CG-CG2 4.35Å; M398-M442 HydrophobicContact CB-SD 4.5Å; M398-M442 HydrophobicContact CE-CE 3.3Å; M398-M442 HydrophobicContact CE-SD 3.27Å; M398-M442 WeakPolarHBondContact CE-SD 3.21Å
399N84.6Confident83.1Confident44 Ų4422.6 Ų22.624%0.23512%0.118CC..Hα-helixtrans-73.6-29.6169.3-73.4-77.7000111.7I395 H396 L397 M403I395-N399 PolarHBondContact O-N 3.11Å; I395-N399 PolarHBondContact O-ND2 3.44Å; H396-N399 PolarHBondContact CE1-ND2 2.87Å; H396-N399 WeakPolarHBondContact O-CB 3.27Å; H396-N399 PolarHBondContact O-N 2.96Å; L397-N399 VanDerWaalsContact C-N 3.27Å; L397-N399 PolarHBondContact O-N 3.44Å; N399-M403 WeakPolarHBondContact O-CB 3.42Å; N399-M403 PolarHBondContact O-N 3.19Å
400I86.2Confident82.9Confident1 Ų125.2 Ų25.21%0.00513%0.132CC..Hα-helixtrans-69.3-44.9170.6-44.5171.3000110.2I345 L348 Q349 T352 H396 L397 L402 M403 L404I345-I400 HydrophobicContact CG2-CD1 3.49Å; I345-I400 VanDerWaalsContact CG2-CD1 3.49Å; I345-I400 HydrophobicContact CG2-CG1 4.12Å; L348-I400 HydrophobicContact CB-CD1 4.23Å; L348-I400 HydrophobicContact CD2-CD1 3.59Å; L348-I400 HydrophobicContact CG-CD1 3.74Å; Q349-I400 HydrophobicContact CB-CG1 4.28Å; Q349-I400 HydrophobicContact CB-CG2 4.46Å; T352-I400 HydrophobicContact CG2-CG2 3.91Å; T352-I400 VanDerWaalsContact OG1-CG2 3.27Å; T352-I400 WeakPolarHBondContact OG1-CG2 3.19Å; H396-I400 PolarHBondContact O-N 2.96Å; L397-I400 HydrophobicContact CD2-CD1 4.1Å; L397-I400 WeakPolarHBondContact O-CB 3.46Å; L397-I400 PolarHBondContact O-N 2.83Å; I400-L402 VanDerWaalsContact C-N 3.32Å; I400-L402 PolarHBondContact O-N 2.97Å; I400-M403 HydrophobicContact CG2-CE 4.41Å; I400-M403 WeakPolarHBondContact O-CB 3.28Å; I400-M403 PolarHBondContact O-N 2.96Å; I400-M403 VanDerWaalsContact O-N 3.11Å; I400-L404 PolarHBondContact O-N 2.93Å
401V88.6Confident82.9Confident0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-60.8-42.6175.8178.20000110.6L379 I382 L397 M398 M403 L404 L405 L423 M442L379-V401 HydrophobicContact CD2-CG1 4.24Å; I382-V401 HydrophobicContact CD1-CG2 3.95Å; I382-V401 HydrophobicContact CG2-CG2 4.03Å; L397-V401 PolarHBondContact O-N 3.29Å; L397-V401 VanDerWaalsContact O-N 3.09Å; M398-V401 HydrophobicContact CE-CB 3.9Å; M398-V401 HydrophobicContact CE-CG1 3.87Å; M398-V401 HydrophobicContact CE-CG2 4.06Å; M398-V401 HydrophobicContact SD-CB 4.44Å; M398-V401 HydrophobicContact SD-CG2 4.11Å; V401-M403 VanDerWaalsContact C-N 3.34Å; V401-M403 PolarHBondContact O-N 3.34Å; V401-L404 PolarHBondContact O-N 3.37Å; V401-L405 HydrophobicContact CG1-CD1 3.91Å; V401-L405 HydrophobicContact CG1-CG 4.29Å; V401-L405 WeakPolarHBondContact O-CB 3.38Å; V401-L405 VanDerWaalsContact O-CG 3.27Å; V401-L405 WeakPolarHBondContact O-CG 3.32Å; V401-L405 PolarHBondContact O-N 3.48Å; V401-L423 HydrophobicContact CG1-CD1 3.91Å; V401-L423 HydrophobicContact CG2-CD1 3.94Å; V401-M442 HydrophobicContact CG1-CE 4.08Å
402L85.3Confident83Confident5 Ų526.5 Ų26.53%0.02613%0.132CC..Hα-helixtrans-63.7-37.5174.3-165.193.3000112.1M398 I400 H406 R441 M442 L445 K588M398-L402 VanDerWaalsContact O-CB 3.3Å; M398-L402 WeakPolarHBondContact O-CB 3.49Å; M398-L402 PolarHBondContact O-N 3.3Å; I400-L402 VanDerWaalsContact C-N 3.32Å; I400-L402 PolarHBondContact O-N 2.97Å; L402-H406 WeakPolarHBondContact O-CB 2.99Å; L402-H406 PolarHBondContact O-CD2 3.28Å; L402-H406 PolarHBondContact O-N 2.87Å; L402-H406 VanDerWaalsContact O-N 3.09Å; L402-R441 HydrophobicContact CD1-CB 3.97Å; L402-M442 HydrophobicContact CD1-CG 3.92Å; L402-L445 HydrophobicContact CD1-CD2 4.32Å; L402-K588 VanDerWaalsContact CD2-NZ 3.34Å
403M85.5Confident83.3Confident22 Ų2223.8 Ų23.811%0.10812%0.117CC..Hα-helixtrans-62-49.7173.7-176.4-173.178.600110.8Q349 T352 W353 N399 I400 V401 H406 H407Q349-M403 HydrophobicContact CG-CE 3.71Å; Q349-M403 HydrophobicContact CG-SD 3.72Å; Q349-M403 PolarHBondContact NE2-SD 3.27Å; Q349-M403 VanDerWaalsContact NE2-SD 3.42Å; T352-M403 HydrophobicContact CG2-CE 3.77Å; W353-M403 HydrophobicContact CB-CE 4.38Å; W353-M403 HydrophobicContact CE3-SD 4.17Å; N399-M403 WeakPolarHBondContact O-CB 3.42Å; N399-M403 PolarHBondContact O-N 3.19Å; I400-M403 HydrophobicContact CG2-CE 4.41Å; I400-M403 WeakPolarHBondContact O-CB 3.28Å; I400-M403 PolarHBondContact O-N 2.96Å; I400-M403 VanDerWaalsContact O-N 3.11Å; V401-M403 VanDerWaalsContact C-N 3.34Å; V401-M403 PolarHBondContact O-N 3.34Å; M403-H406 PolarHBondContact O-N 2.88Å; M403-H407 PolarHBondContact O-CD2 2.87Å; M403-H407 PolarHBondContact O-N 2.91Å
404L87.3Confident83.2Confident0 Ų028.3 Ų28.30%014%0.138CC..Hα-helixtrans-56.4-53.9177179.361.9000110.9T352 F356 I375 F378 L379 I400 V401 H406 H407 L408T352-L404 HydrophobicContact CG2-CB 4.2Å; T352-L404 HydrophobicContact CG2-CD1 4.25Å; F356-L404 HydrophobicContact CB-CD1 3.54Å; F356-L404 HydrophobicContact CD2-CD1 4.02Å; F356-L404 HydrophobicContact CG-CD1 3.97Å; I375-L404 HydrophobicContact CG2-CD2 4.5Å; F378-L404 HydrophobicContact CD1-CD2 3.89Å; F378-L404 HydrophobicContact CE1-CD2 4.11Å; L379-L404 HydrophobicContact CD2-CD2 4.24Å; I400-L404 PolarHBondContact O-N 2.93Å; V401-L404 PolarHBondContact O-N 3.37Å; L404-H406 PolarHBondContact O-N 3.5Å; L404-H406 VanDerWaalsContact O-N 3.17Å; L404-H407 PolarHBondContact O-N 3.49Å; L404-L408 HydrophobicContact CD1-CD1 4.03Å; L404-L408 HydrophobicContact CD1-CD2 4.02Å; L404-L408 HydrophobicContact CD1-CG 3.99Å; L404-L408 HydrophobicContact CG-CD1 3.87Å; L404-L408 HydrophobicContact CG-CG 4.19Å; L404-L408 WeakPolarHBondContact O-CG 3.4Å; L404-L408 PolarHBondContact O-N 2.84Å; L404-L408 VanDerWaalsContact O-N 3.12Å
405L85.9Confident83.1Confident6 Ų633.8 Ų33.83%0.03116%0.164CC..Hα-helixtrans-62.5-23.1-179.8-65.4174.9000113.9V401 H407 I413 I420 M442 L445V401-L405 HydrophobicContact CG1-CD1 3.91Å; V401-L405 HydrophobicContact CG1-CG 4.29Å; V401-L405 WeakPolarHBondContact O-CB 3.38Å; V401-L405 VanDerWaalsContact O-CG 3.27Å; V401-L405 WeakPolarHBondContact O-CG 3.32Å; V401-L405 PolarHBondContact O-N 3.48Å; L405-H407 VanDerWaalsContact C-N 3.31Å; L405-I413 HydrophobicContact CD2-CD1 4.47Å; L405-I413 HydrophobicContact CD2-CG1 4.1Å; L405-I413 HydrophobicContact CD2-CG2 4.28Å; L405-I420 HydrophobicContact CD1-CG2 4.04Å; L405-I420 HydrophobicContact CD2-CD1 3.6Å; L405-I420 HydrophobicContact CD2-CG1 4.14Å; L405-M442 HydrophobicContact CD1-CE 4.27Å; L405-L445 HydrophobicContact CB-CD2 3.55Å
406H80.9Confident83.2Confident34 Ų3432.5 Ų32.516%0.15716%0.157CC..THydrogen-bonded Turntrans-77.1-13172.1-83.7-54.9000114L402 M403 L404L402-H406 WeakPolarHBondContact O-CB 2.99Å; L402-H406 PolarHBondContact O-CD2 3.28Å; L402-H406 PolarHBondContact O-N 2.87Å; L402-H406 VanDerWaalsContact O-N 3.09Å; M403-H406 PolarHBondContact O-N 2.88Å; L404-H406 PolarHBondContact O-N 3.5Å; L404-H406 VanDerWaalsContact O-N 3.17Å
407H80.4Confident83.1Confident54 Ų5430.9 Ų30.925%0.2515%0.15CC..THydrogen-bonded Turntrans-111.5-14.2-179.5-78.9-96.3000114W353 C357 M403 L404 L405 N592W353-H407 AromaticContact CH2-CE1 3.66Å; W353-H407 AromaticContact CZ3-CE1 3.61Å; W353-H407 AromaticContact CZ3-NE2 3.58Å; C357-H407 HydrophobicContact CB-CB 4.06Å; M403-H407 PolarHBondContact O-CD2 2.87Å; M403-H407 PolarHBondContact O-N 2.91Å; L404-H407 PolarHBondContact O-N 3.49Å; L405-H407 VanDerWaalsContact C-N 3.31Å; H407-N592 PolarHBondContact CD2-ND2 3.22Å; H407-N592 PolarHBondContact NE2-ND2 3.09Å
408L80.6Confident83Confident13 Ų1337.2 Ų37.27%0.06818%0.178CC..SBendtrans-81.6140.5178.2-65.1-177.7000112.9Y371 I375 L404 I412 I413Y371-L408 HydrophobicContact CE1-CD2 3.99Å; Y371-L408 WeakPolarHBondContact OH-CD2 3.47Å; I375-L408 HydrophobicContact CD1-CD1 3.88Å; I375-L408 HydrophobicContact CD1-CD2 3.39Å; I375-L408 HydrophobicContact CD1-CG 4.29Å; I375-L408 HydrophobicContact CG1-CD2 4.46Å; I375-L408 HydrophobicContact CG2-CD1 3.97Å; L404-L408 HydrophobicContact CD1-CD1 4.03Å; L404-L408 HydrophobicContact CD1-CD2 4.02Å; L404-L408 HydrophobicContact CD1-CG 3.99Å; L404-L408 HydrophobicContact CG-CD1 3.87Å; L404-L408 HydrophobicContact CG-CG 4.19Å; L404-L408 WeakPolarHBondContact O-CG 3.4Å; L404-L408 PolarHBondContact O-N 2.84Å; L404-L408 VanDerWaalsContact O-N 3.12Å; L408-I412 HydrophobicContact CD1-CG2 4.05Å; L408-I412 HydrophobicContact CD2-CG2 4.44Å; L408-I413 HydrophobicContact CB-CD1 4.37Å; L408-I413 HydrophobicContact CB-CG1 4.01Å
409P77.3Confident82.9Confident48 Ų4837.7 Ų37.731%0.31218%0.18SC..  trans-58.3149.3163-24.634.4000113.2Y411 I412 I413P409-Y411 VanDerWaalsContact C-N 3.33Å; P409-Y411 HydrophobicContact CB-CD1 3.52Å; P409-Y411 HydrophobicContact CB-CE1 3.29Å; P409-Y411 HydrophobicContact CG-CE1 3.84Å; P409-Y411 PolarHBondContact O-N 3.43Å; P409-I412 HydrophobicContact CB-CG1 4.45Å; P409-I412 HydrophobicContact CG-CD1 4.31Å; P409-I412 PolarHBondContact O-N 2.88Å; P409-I412 VanDerWaalsContact O-N 3.1Å; P409-I413 PolarHBondContact O-N 2.98Å
410N79.1Confident82.9Confident79 Ų7935.7 Ų35.742%0.42217%0.169SC..Hα-helixtrans-53.7-43-178-75.614000113.6I412 I413 E414N410-I412 PolarHBondContact O-N 3.44Å; N410-I412 VanDerWaalsContact O-N 3.12Å; N410-I413 CarbonylContact O-C 3.38Å; N410-I413 WeakPolarHBondContact O-CA 3.17Å; N410-I413 WeakPolarHBondContact O-CB 3.16Å; N410-I413 PolarHBondContact O-N 3.4Å; N410-E414 WeakPolarHBondContact O-CG 2.92Å; N410-E414 PolarHBondContact O-N 3.35Å
411Y79.1Confident82.8Confident100 Ų10035.6 Ų35.639%0.39217%0.169SC..Hα-helixtrans-57.2-32.1-179.168.5-89.4000113.4D368 I372 P409 E414 E415D368-Y411 PolarHBondContact OD1-OH 2.88Å; I372-Y411 HydrophobicContact CD1-CD2 4.33Å; I372-Y411 HydrophobicContact CD1-CE2 4.23Å; P409-Y411 VanDerWaalsContact C-N 3.33Å; P409-Y411 HydrophobicContact CB-CD1 3.52Å; P409-Y411 HydrophobicContact CB-CE1 3.29Å; P409-Y411 HydrophobicContact CG-CE1 3.84Å; P409-Y411 PolarHBondContact O-N 3.43Å; Y411-E414 PolarHBondContact O-N 2.85Å; Y411-E415 PolarHBondContact O-N 3.15Å; Y411-E415 VanDerWaalsContact O-N 3.08Å
412I80.1Confident82.6Confident0 Ų041 Ų410%019%0.189CC..Hα-helixtrans-79-32.1179.7-52.8-168.3000111.4Y371 I372 I375 L408 P409 N410 N416Y371-I412 HydrophobicContact CD1-CD1 3.58Å; Y371-I412 HydrophobicContact CE1-CD1 3.51Å; I372-I412 HydrophobicContact CD1-CG1 4.5Å; I372-I412 HydrophobicContact CG1-CB 4.44Å; I372-I412 HydrophobicContact CG1-CD1 4.18Å; I372-I412 HydrophobicContact CG1-CG1 3.97Å; I372-I412 HydrophobicContact CG1-CG2 4.09Å; I375-I412 HydrophobicContact CD1-CG2 3.62Å; I375-I412 HydrophobicContact CG2-CG2 4.48Å; L408-I412 HydrophobicContact CD1-CG2 4.05Å; L408-I412 HydrophobicContact CD2-CG2 4.44Å; P409-I412 HydrophobicContact CB-CG1 4.45Å; P409-I412 HydrophobicContact CG-CD1 4.31Å; P409-I412 PolarHBondContact O-N 2.88Å; P409-I412 VanDerWaalsContact O-N 3.1Å; N410-I412 PolarHBondContact O-N 3.44Å; N410-I412 VanDerWaalsContact O-N 3.12Å; I412-N416 WeakPolarHBondContact O-CB 3.11Å; I412-N416 PolarHBondContact O-N 2.79Å; I412-N416 PolarHBondContact O-ND2 3.13Å
413I81.5Confident82.6Confident4 Ų440.8 Ų40.82%0.02119%0.188CC..Hα-helixtrans-69-41171.8-57176000109.2L405 L408 P409 N410 N416 I417 I420 L446 C449 F450L405-I413 HydrophobicContact CD2-CD1 4.47Å; L405-I413 HydrophobicContact CD2-CG1 4.1Å; L405-I413 HydrophobicContact CD2-CG2 4.28Å; L408-I413 HydrophobicContact CB-CD1 4.37Å; L408-I413 HydrophobicContact CB-CG1 4.01Å; P409-I413 PolarHBondContact O-N 2.98Å; N410-I413 CarbonylContact O-C 3.38Å; N410-I413 WeakPolarHBondContact O-CA 3.17Å; N410-I413 WeakPolarHBondContact O-CB 3.16Å; N410-I413 PolarHBondContact O-N 3.4Å; I413-N416 CarbonylContact O-C 3.51Å; I413-N416 PolarHBondContact O-N 3.18Å; I413-I417 PolarHBondContact O-N 3.08Å; I413-I420 HydrophobicContact CG2-CD1 3.83Å; I413-L446 HydrophobicContact CG2-CD2 4.23Å; I413-C449 HydrophobicContact CG2-CB 4.44Å; I413-F450 HydrophobicContact CG2-CE2 3.72Å; I413-F450 HydrophobicContact CG2-CZ 4Å
414E81.3Confident82.3Confident95 Ų9539.8 Ų39.844%0.44418%0.183SC..Hα-helixtrans-59.3-51.6175.9-72.1165.1-135.800112.1N410 Y411 N416 I417 F450N410-E414 WeakPolarHBondContact O-CG 2.92Å; N410-E414 PolarHBondContact O-N 3.35Å; Y411-E414 PolarHBondContact O-N 2.85Å; E414-N416 PolarHBondContact O-N 3.04Å; E414-I417 WeakPolarHBondContact O-CG2 3.15Å; E414-I417 PolarHBondContact O-N 3.19Å; E414-F450 HydrophobicContact CB-CE1 4.18Å; E414-F450 HydrophobicContact CB-CZ 4.46Å; E414-F450 HydrophobicContact CG-CD1 4.43Å; E414-F450 HydrophobicContact CG-CE1 3.63Å; E414-F450 HydrophobicContact CG-CZ 4.07Å
415E83Confident82Confident120 Ų12041.4 Ų41.456%0.56119%0.19SC*.Hα-helixtrans-62.5-25.9176.5-80.7-144.9-152.700114.5I372 Y411I372-E415 HydrophobicContact CG2-CB 3.97Å; Y411-E415 PolarHBondContact O-N 3.15Å; Y411-E415 VanDerWaalsContact O-N 3.08Å
416N83.7Confident81.6Confident2 Ų241.5 Ų41.51%0.01119%0.191CC..Hα-helixtrans-102.13.6-176.7-74.5-72000114.6K376 L379 I412 I413 E414 K418 E419 I420K376-N416 WeakPolarHBondContact CA-OD1 3.23Å; K376-N416 VanDerWaalsContact CB-OD1 3.25Å; K376-N416 WeakPolarHBondContact CB-OD1 3.37Å; K376-N416 WeakPolarHBondContact CG-OD1 3.36Å; L379-N416 HydrophobicContact CD1-CB 3.93Å; I412-N416 WeakPolarHBondContact O-CB 3.11Å; I412-N416 PolarHBondContact O-N 2.79Å; I412-N416 PolarHBondContact O-ND2 3.13Å; I413-N416 CarbonylContact O-C 3.51Å; I413-N416 PolarHBondContact O-N 3.18Å; E414-N416 PolarHBondContact O-N 3.04Å; N416-K418 PolarHBondContact O-N 3.23Å; N416-E419 PolarHBondContact O-N 3.3Å; N416-I420 HydrophobicContact CB-CD1 4.18Å; N416-I420 HydrophobicContact CB-CG1 4.42Å; N416-I420 WeakPolarHBondContact O-CG1 3.17Å; N416-I420 PolarHBondContact O-N 2.79Å
417I82.7Confident81.4Confident21 Ų2140 Ų4011%0.10818%0.184CC..Hα-helixtrans-47.1-43-173.5-170.6179.9000113.7I413 E414 I420 F421 F450 I454I413-I417 PolarHBondContact O-N 3.08Å; E414-I417 WeakPolarHBondContact O-CG2 3.15Å; E414-I417 PolarHBondContact O-N 3.19Å; I417-I420 PolarHBondContact O-N 3.17Å; I417-F421 HydrophobicContact CD1-CD2 4.42Å; I417-F421 HydrophobicContact CD1-CE2 4.24Å; I417-F421 HydrophobicContact CG1-CD2 3.81Å; I417-F421 HydrophobicContact CG1-CE2 4.01Å; I417-F421 PolarHBondContact O-N 3.39Å; I417-F450 HydrophobicContact CB-CE1 4.18Å; I417-F450 HydrophobicContact CB-CE2 4.5Å; I417-F450 HydrophobicContact CB-CZ 3.77Å; I417-F450 HydrophobicContact CD1-CD1 3.88Å; I417-F450 HydrophobicContact CD1-CD2 4.34Å; I417-F450 HydrophobicContact CD1-CE1 3.61Å; I417-F450 HydrophobicContact CD1-CE2 4.1Å; I417-F450 HydrophobicContact CD1-CG 4.23Å; I417-F450 HydrophobicContact CD1-CZ 3.73Å; I417-F450 HydrophobicContact CG1-CE1 4.15Å; I417-F450 HydrophobicContact CG1-CE2 4.11Å; I417-F450 HydrophobicContact CG1-CZ 3.78Å; I417-I454 HydrophobicContact CD1-CG2 3.37Å
418K84.3Confident81.3Confident133 Ų13337.4 Ų37.458%0.57817%0.173SC*.Hα-helixtrans-68.5-35.9-178.8-67.6-177.7178.21770113.3N416 R422N416-K418 PolarHBondContact O-N 3.23Å; K418-R422 WeakPolarHBondContact O-CD 3.28Å; K418-R422 WeakPolarHBondContact O-CG 3.39Å; K418-R422 PolarHBondContact O-N 3.08Å
419E84.1Confident81.1Confident11 Ų1140.3 Ų40.35%0.05119%0.187CC..Hα-helixtrans-74.2-35.6174.8-51.7-63.3-177.300110.5K376 L379 R380 N416 R422 L423K376-E419 HydrophobicContact CG-CG 4.06Å; L379-E419 HydrophobicContact CB-CB 4.22Å; L379-E419 HydrophobicContact CD1-CB 4.31Å; R380-E419 IonicContact CZ-OE1 2.78Å; R380-E419 IonicContact NE-OE1 3.6Å; R380-E419 PolarHBondContact NE-OE1 2.96Å; R380-E419 IonicContact NE-OE2 2.69Å; R380-E419 IonicContact NH2-OE1 2.7Å; R380-E419 PolarHBondContact NH2-OE1 3.27Å; N416-E419 PolarHBondContact O-N 3.3Å; E419-R422 VanDerWaalsContact CD-NH1 3.27Å; E419-R422 PolarHBondContact O-N 2.85Å; E419-R422 IonicContact OE1-NH1 3.71Å; E419-R422 PolarHBondContact OE1-NH1 3.27Å; E419-R422 VanDerWaalsContact OE1-NH1 3.12Å; E419-R422 WeakPolarHBondContact OE2-CD 3.48Å; E419-R422 IonicContact OE2-CZ 2.64Å; E419-R422 IonicContact OE2-NE 3.27Å; E419-R422 IonicContact OE2-NH1 3.48Å; E419-R422 PolarHBondContact OE2-NH1 3.27Å; E419-L423 PolarHBondContact O-N 2.95Å
420I84.7Confident80.7Confident1 Ų140.5 Ų40.51%0.00519%0.185CC..Hα-helixtrans-62-44.7173.2-60.9163000110.8L379 L405 I413 N416 I417 L423 F424 M442 L446L379-I420 HydrophobicContact CD1-CG1 4.04Å; L405-I420 HydrophobicContact CD1-CG2 4.04Å; L405-I420 HydrophobicContact CD2-CD1 3.6Å; L405-I420 HydrophobicContact CD2-CG1 4.14Å; I413-I420 HydrophobicContact CG2-CD1 3.83Å; N416-I420 HydrophobicContact CB-CD1 4.18Å; N416-I420 HydrophobicContact CB-CG1 4.42Å; N416-I420 WeakPolarHBondContact O-CG1 3.17Å; N416-I420 PolarHBondContact O-N 2.79Å; I417-I420 PolarHBondContact O-N 3.17Å; I420-L423 WeakPolarHBondContact O-CB 3.47Å; I420-L423 PolarHBondContact O-N 3.29Å; I420-F424 WeakPolarHBondContact O-CD2 3.44Å; I420-M442 HydrophobicContact CG2-CE 4.22Å; I420-L446 HydrophobicContact CG2-CD1 4.33Å; I420-L446 HydrophobicContact CG2-CD2 4.2Å
421F83.6Confident80Confident0 Ų041 Ų410%019%0.193CC..Hα-helixtrans-70.5-31.4176.3-92.7-76.6000113.7I417 L423 F424 L443 L446 L455 E458 L459 Y462I417-F421 HydrophobicContact CD1-CD2 4.42Å; I417-F421 HydrophobicContact CD1-CE2 4.24Å; I417-F421 HydrophobicContact CG1-CD2 3.81Å; I417-F421 HydrophobicContact CG1-CE2 4.01Å; I417-F421 PolarHBondContact O-N 3.39Å; F421-L423 PolarHBondContact O-N 3.13Å; F421-F424 HydrophobicContact CD1-CD2 4.23Å; F421-F424 HydrophobicContact CD1-CE2 4.39Å; F421-F424 HydrophobicContact CD1-CG 4.47Å; F421-F424 VanDerWaalsContact O-CB 3.31Å; F421-F424 WeakPolarHBondContact O-CB 3.47Å; F421-F424 PolarHBondContact O-N 3.12Å; F421-L443 HydrophobicContact CE1-CD2 4.39Å; F421-L443 HydrophobicContact CZ-CD2 4.45Å; F421-L446 HydrophobicContact CE2-CD1 4.25Å; F421-L446 HydrophobicContact CZ-CD1 4.24Å; F421-L455 HydrophobicContact CE2-CD2 3.64Å; F421-L455 HydrophobicContact CZ-CB 4.23Å; F421-L455 HydrophobicContact CZ-CD2 3.65Å; F421-E458 HydrophobicContact CD1-CB 4.02Å; F421-E458 HydrophobicContact CD2-CB 3.8Å; F421-E458 HydrophobicContact CD2-CG 4.01Å; F421-E458 HydrophobicContact CE1-CB 4.14Å; F421-E458 HydrophobicContact CE2-CB 3.9Å; F421-E458 HydrophobicContact CE2-CG 4.24Å; F421-E458 HydrophobicContact CG-CB 3.85Å; F421-E458 HydrophobicContact CG-CG 4.4Å; F421-E458 HydrophobicContact CZ-CB 4.06Å; F421-L459 HydrophobicContact CE1-CD2 4.09Å; F421-L459 HydrophobicContact CE1-CG 3.93Å; F421-Y462 PolarHBondContact O-OH 3.25Å
422R85Confident79.2Confident114 Ų11436.5 Ų36.543%0.4318%0.175SC..Hα-helixtrans-59.5-33.5172.7-79.2162.3168.7-173.1-4.8112.6L383 K418 E419 F424 H425 Y462L383-R422 HydrophobicContact CD1-CB 4.39Å; L383-R422 WeakPolarHBondContact CD1-O 3.28Å; L383-R422 HydrophobicContact CD2-CB 3.8Å; K418-R422 WeakPolarHBondContact O-CD 3.28Å; K418-R422 WeakPolarHBondContact O-CG 3.39Å; K418-R422 PolarHBondContact O-N 3.08Å; E419-R422 VanDerWaalsContact CD-NH1 3.27Å; E419-R422 PolarHBondContact O-N 2.85Å; E419-R422 IonicContact OE1-NH1 3.71Å; E419-R422 PolarHBondContact OE1-NH1 3.27Å; E419-R422 VanDerWaalsContact OE1-NH1 3.12Å; E419-R422 WeakPolarHBondContact OE2-CD 3.48Å; E419-R422 IonicContact OE2-CZ 2.64Å; E419-R422 IonicContact OE2-NE 3.27Å; E419-R422 IonicContact OE2-NH1 3.48Å; E419-R422 PolarHBondContact OE2-NH1 3.27Å; R422-F424 PolarHBondContact O-N 3Å; R422-H425 WeakPolarHBondContact O-CB 3.46Å; R422-H425 PolarHBondContact O-N 3.32Å; R422-Y462 WeakPolarHBondContact CA-OH 3.44Å
423L83.8Confident78.1Confident0 Ų042.6 Ų42.60%021%0.208CC..THydrogen-bonded Turntrans-63.3-18.6173.8-64.4163.8000113.3L379 I382 L383 M386 M398 V401 E419 I420 F421 H425 I427L379-L423 HydrophobicContact CD2-CD1 3.72Å; I382-L423 HydrophobicContact CB-CD2 4.38Å; I382-L423 HydrophobicContact CG2-CD2 3.84Å; L383-L423 HydrophobicContact CB-CD2 3.71Å; L383-L423 HydrophobicContact CD1-CD2 4.11Å; M386-L423 WeakPolarHBondContact CE-O 3.26Å; M386-L423 HydrophobicContact SD-CB 4.49Å; M386-L423 HydrophobicContact SD-CD2 3.56Å; M386-L423 VanDerWaalsContact SD-CD2 3.56Å; M398-L423 HydrophobicContact CE-CB 3.66Å; M398-L423 HydrophobicContact CE-CD1 4.25Å; M398-L423 HydrophobicContact CE-CG 4.49Å; M398-L423 HydrophobicContact SD-CB 4.11Å; V401-L423 HydrophobicContact CG1-CD1 3.91Å; V401-L423 HydrophobicContact CG2-CD1 3.94Å; E419-L423 PolarHBondContact O-N 2.95Å; I420-L423 WeakPolarHBondContact O-CB 3.47Å; I420-L423 PolarHBondContact O-N 3.29Å; F421-L423 PolarHBondContact O-N 3.13Å; L423-H425 VanDerWaalsContact C-N 3.31Å; L423-I427 WeakPolarHBondContact O-CD1 3.29Å; L423-I427 VanDerWaalsContact O-CG1 3.28Å; L423-I427 WeakPolarHBondContact O-CG1 3.38Å
424F79.5Confident76.8Confident0 Ų045.1 Ų45.10%023%0.234CC..THydrogen-bonded Turntrans-74-20.4171.1-70.6-120.6000112.3I420 F421 R422 I427 L428 I439 M442 L443 L446I420-F424 WeakPolarHBondContact O-CD2 3.44Å; F421-F424 HydrophobicContact CD1-CD2 4.23Å; F421-F424 HydrophobicContact CD1-CE2 4.39Å; F421-F424 HydrophobicContact CD1-CG 4.47Å; F421-F424 VanDerWaalsContact O-CB 3.31Å; F421-F424 WeakPolarHBondContact O-CB 3.47Å; F421-F424 PolarHBondContact O-N 3.12Å; R422-F424 PolarHBondContact O-N 3Å; F424-I427 CarbonylContact O-C 3.56Å; F424-I427 WeakPolarHBondContact O-CB 3.4Å; F424-I427 PolarHBondContact O-N 3.36Å; F424-I427 VanDerWaalsContact O-N 3.13Å; F424-L428 HydrophobicContact CB-CD1 3.93Å; F424-L428 HydrophobicContact CB-CG 4.26Å; F424-L428 WeakPolarHBondContact O-CB 3.48Å; F424-L428 VanDerWaalsContact O-CG 3.31Å; F424-L428 WeakPolarHBondContact O-CG 3.44Å; F424-L428 PolarHBondContact O-N 3.4Å; F424-I439 HydrophobicContact CD1-CG1 4.5Å; F424-I439 HydrophobicContact CE1-CG2 4.2Å; F424-M442 HydrophobicContact CD2-CE 4.38Å; F424-M442 HydrophobicContact CE2-CB 4.46Å; F424-M442 HydrophobicContact CE2-CE 3.59Å; F424-M442 HydrophobicContact CE2-SD 4.18Å; F424-M442 HydrophobicContact CZ-CB 3.79Å; F424-M442 HydrophobicContact CZ-CE 4.09Å; F424-M442 HydrophobicContact CZ-SD 4.23Å; F424-L443 HydrophobicContact CE1-CD2 3.85Å; F424-L443 HydrophobicContact CE1-CG 3.95Å; F424-L443 HydrophobicContact CZ-CD2 4.02Å; F424-L443 HydrophobicContact CZ-CG 4.3Å; F424-L446 HydrophobicContact CE2-CD1 4.19Å; F424-L446 HydrophobicContact CZ-CD1 3.99Å
425H80.9Confident76.1Confident34 Ų3440.8 Ų40.816%0.15721%0.214CC..Hα-helixtrans-66.3-48.3-172-170.781.3000114.2Y387 R422 L423 I427 L428 M429 Y462Y387-H425 AromaticContact CE1-CD2 3.96Å; Y387-H425 PolarHBondContact OH-CD2 3.47Å; Y387-H425 VanDerWaalsContact OH-CD2 3.24Å; R422-H425 WeakPolarHBondContact O-CB 3.46Å; R422-H425 PolarHBondContact O-N 3.32Å; L423-H425 VanDerWaalsContact C-N 3.31Å; H425-I427 PolarHBondContact O-N 2.89Å; H425-I427 VanDerWaalsContact O-N 3.1Å; H425-L428 PolarHBondContact O-N 2.95Å; H425-M429 VanDerWaalsContact NE2-CE 3.25Å; H425-M429 WeakPolarHBondContact NE2-CE 3.39Å; H425-M429 WeakPolarHBondContact O-CG 3.44Å; H425-M429 PolarHBondContact O-N 3.32Å; H425-Y462 HydrophobicContact CB-CE1 3.88Å; H425-Y462 AromaticContact CG-CE1 4Å; H425-Y462 AromaticContact ND1-CD1 3.53Å; H425-Y462 AromaticContact ND1-CE1 3.43Å; H425-Y462 WeakPolarHBondContact ND1-CE1 3.39Å
426P77.8Confident75.4Confident8 Ų837.7 Ų37.75%0.05220%0.2CC..Hα-helixtrans-59.3-23.9172.9-21.532.8000113.1L383 M386 Y387 N430L383-P426 HydrophobicContact CD1-CG 4.09Å; M386-P426 HydrophobicContact CB-CB 4.34Å; M386-P426 HydrophobicContact CB-CG 4.12Å; M386-P426 HydrophobicContact CE-CB 4.35Å; M386-P426 HydrophobicContact CE-CG 4.39Å; Y387-P426 HydrophobicContact CD1-CG 4.08Å; Y387-P426 HydrophobicContact CD2-CG 4.42Å; Y387-P426 HydrophobicContact CE1-CG 3.93Å; Y387-P426 HydrophobicContact CE2-CG 4.29Å; Y387-P426 HydrophobicContact CG-CG 4.32Å; P426-N430 PolarHBondContact O-ND2 2.93Å
427I76.9Confident74.6Confident2 Ų244 Ų441%0.0123%0.229CC..Hα-helixtrans-85.2-48-175.8-48.8178.6000111.2M386 M391 M398 L423 F424 H425 M429 N430 I435 I439M386-I427 HydrophobicContact CE-CD1 3.9Å; M386-I427 HydrophobicContact CE-CG1 3.69Å; M391-I427 HydrophobicContact CE-CG2 4.33Å; M398-I427 HydrophobicContact CE-CD1 4.25Å; M398-I427 HydrophobicContact CG-CD1 3.47Å; M398-I427 VanDerWaalsContact CG-CD1 3.47Å; M398-I427 HydrophobicContact SD-CD1 3.97Å; L423-I427 WeakPolarHBondContact O-CD1 3.29Å; L423-I427 VanDerWaalsContact O-CG1 3.28Å; L423-I427 WeakPolarHBondContact O-CG1 3.38Å; F424-I427 CarbonylContact O-C 3.56Å; F424-I427 WeakPolarHBondContact O-CB 3.4Å; F424-I427 PolarHBondContact O-N 3.36Å; F424-I427 VanDerWaalsContact O-N 3.13Å; H425-I427 PolarHBondContact O-N 2.89Å; H425-I427 VanDerWaalsContact O-N 3.1Å; I427-M429 PolarHBondContact O-N 3.03Å; I427-N430 PolarHBondContact O-N 3.49Å; I427-I435 HydrophobicContact CG2-CB 4.28Å; I427-I435 HydrophobicContact CG2-CD1 3.84Å; I427-I435 HydrophobicContact CG2-CG2 3.15Å; I427-I435 WeakPolarHBondContact O-CD1 3.24Å; I427-I439 HydrophobicContact CG2-CD1 3.8Å; I427-I439 HydrophobicContact CG2-CG1 4.12Å
428L77.8Confident74Confident0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-67.2-21.1179.7-70171.5000112.6F424 H425 N430 F432 I439 Y462 I472 N475 V476F424-L428 HydrophobicContact CB-CD1 3.93Å; F424-L428 HydrophobicContact CB-CG 4.26Å; F424-L428 WeakPolarHBondContact O-CB 3.48Å; F424-L428 VanDerWaalsContact O-CG 3.31Å; F424-L428 WeakPolarHBondContact O-CG 3.44Å; F424-L428 PolarHBondContact O-N 3.4Å; H425-L428 PolarHBondContact O-N 2.95Å; L428-N430 PolarHBondContact O-N 3.12Å; L428-F432 HydrophobicContact CD2-CE2 3.93Å; L428-I439 HydrophobicContact CD2-CD1 4.16Å; L428-Y462 HydrophobicContact CD1-CG 4.35Å; L428-I472 HydrophobicContact CB-CG2 4.49Å; L428-I472 WeakPolarHBondContact O-CG1 3.13Å; L428-N475 HydrophobicContact CD2-CB 3.86Å; L428-N475 PolarHBondContact O-ND2 3.2Å; L428-V476 HydrophobicContact CD1-CG2 4.05Å; L428-V476 HydrophobicContact CD2-CG2 4.49Å
429M76.6Confident73.6Confident74 Ų7437.3 Ų37.337%0.36520%0.2SC..THydrogen-bonded Turntrans-60.3-19.6168.1-79.5-80.6177.400114H425 I427 I472H425-M429 VanDerWaalsContact NE2-CE 3.25Å; H425-M429 WeakPolarHBondContact NE2-CE 3.39Å; H425-M429 WeakPolarHBondContact O-CG 3.44Å; H425-M429 PolarHBondContact O-N 3.32Å; I427-M429 PolarHBondContact O-N 3.03Å; M429-I472 HydrophobicContact CE-CD1 3.71Å; M429-I472 HydrophobicContact CG-CD1 4.24Å; M429-I472 HydrophobicContact SD-CD1 3.76Å; M429-I472 HydrophobicContact SD-CG1 4.44Å
430N69.6Low73.3Confident53 Ų5338.7 Ų38.728%0.28321%0.206SC..SBendtrans-116.7159.9-163.7-81.7-82.1000113.5M391 P426 I427 L428 F432 I435 N475M391-N430 HydrophobicContact CE-CB 3.84Å; M391-N430 HydrophobicContact CG-CB 3.64Å; M391-N430 VanDerWaalsContact CG-OD1 3.29Å; M391-N430 WeakPolarHBondContact CG-OD1 3.45Å; M391-N430 HydrophobicContact SD-CB 3.48Å; M391-N430 WeakPolarHBondContact SD-CB 3.42Å; M391-N430 PolarHBondContact SD-ND2 3.15Å; P426-N430 PolarHBondContact O-ND2 2.93Å; I427-N430 PolarHBondContact O-N 3.49Å; L428-N430 PolarHBondContact O-N 3.12Å; N430-F432 PolarHBondContact O-N 3.23Å; N430-I435 HydrophobicContact CB-CD1 4.07Å; N430-N475 PolarHBondContact O-ND2 3.24Å
431P64Low72.7Confident89 Ų8942.2 Ų42.258%0.57822%0.219SC*.  trans-63.8110.8-176.223.9-34000112N433P431-N433 PolarHBondContact O-N 3.35Å
432F61.5Low72.6Confident5 Ų542.2 Ų42.22%0.02222%0.219CC..G310 helixtrans-55.2-17.2-171.1-142.1-95.2000115.1L428 N430 G434 I435 H436 I439 N475L428-F432 HydrophobicContact CD2-CE2 3.93Å; N430-F432 PolarHBondContact O-N 3.23Å; F432-G434 VanDerWaalsContact C-N 3.32Å; F432-G434 PolarHBondContact O-N 3.03Å; F432-I435 CarbonylContact O-C 3.58Å; F432-I435 WeakPolarHBondContact O-CA 3.25Å; F432-I435 PolarHBondContact O-N 2.79Å; F432-H436 HydrophobicContact CD1-CB 4.16Å; F432-H436 AromaticContact CD1-CD2 3.39Å; F432-H436 WeakPolarHBondContact CD1-CD2 3.17Å; F432-H436 AromaticContact CD1-CE1 3.72Å; F432-H436 AromaticContact CD1-CG 3.47Å; F432-H436 VanDerWaalsContact CD1-CG 3.47Å; F432-H436 AromaticContact CD1-ND1 3.7Å; F432-H436 AromaticContact CD1-NE2 3.57Å; F432-H436 HydrophobicContact CE1-CB 4.33Å; F432-H436 AromaticContact CE1-CD2 3.63Å; F432-H436 AromaticContact CE1-CG 3.92Å; F432-H436 PolarHBondContact O-N 3.37Å; F432-H436 PolarHBondContact O-ND1 3.42Å; F432-I439 HydrophobicContact CD2-CD1 3.82Å; F432-I439 HydrophobicContact CE1-CD1 4.35Å; F432-I439 HydrophobicContact CE1-CG2 4.47Å; F432-I439 HydrophobicContact CE2-CD1 3.32Å; F432-I439 HydrophobicContact CE2-CG2 4.34Å; F432-I439 HydrophobicContact CZ-CB 4.15Å; F432-I439 HydrophobicContact CZ-CD1 3.65Å; F432-I439 HydrophobicContact CZ-CG2 3.74Å; F432-N475 WeakPolarHBondContact CB-OD1 3.46Å; F432-N475 HydrophobicContact CD2-CB 3.53Å; F432-N475 VanDerWaalsContact CD2-CG 3.46Å; F432-N475 HydrophobicContact CE2-CB 3.84Å; F432-N475 WeakPolarHBondContact CE2-O 3.25Å
433N58.5Low72.5Confident129 Ų12936.8 Ų36.869%0.6920%0.199SC*.G310 helixtrans-50.2-43.2-176.5-74.3-16.6000114.3P431P431-N433 PolarHBondContact O-N 3.35Å
434G53.1Low72.2Confident56 Ų5637 Ų3758%0.57720%0.2SC*.G310 helixtrans-80.4-17.1174.500000114.1F432F432-G434 VanDerWaalsContact C-N 3.32Å; F432-G434 PolarHBondContact O-N 3.03Å
435I66.7Low72.2Confident5 Ų537.3 Ų37.33%0.02620%0.202CC..THydrogen-bonded Turntrans-107.1-21.7-161.5-29.2173.1000114M391 I427 N430 F432 Q437 I438 I439M391-I435 HydrophobicContact CE-CD1 3.46Å; M391-I435 VanDerWaalsContact CE-CD1 3.46Å; M391-I435 HydrophobicContact CE-CG1 3.94Å; I427-I435 HydrophobicContact CG2-CB 4.28Å; I427-I435 HydrophobicContact CG2-CD1 3.84Å; I427-I435 HydrophobicContact CG2-CG2 3.15Å; I427-I435 WeakPolarHBondContact O-CD1 3.24Å; N430-I435 HydrophobicContact CB-CD1 4.07Å; F432-I435 CarbonylContact O-C 3.58Å; F432-I435 WeakPolarHBondContact O-CA 3.25Å; F432-I435 PolarHBondContact O-N 2.79Å; I435-Q437 PolarHBondContact O-N 3.43Å; I435-I438 PolarHBondContact O-N 3.05Å; I435-I439 HydrophobicContact CB-CD1 4.41Å; I435-I439 HydrophobicContact CG2-CD1 3.94Å; I435-I439 HydrophobicContact CG2-CG1 4.03Å; I435-I439 PolarHBondContact O-N 3.45Å; I435-I439 VanDerWaalsContact O-N 3.15Å
436H67.9Low72.2Confident55 Ų5535.8 Ų35.826%0.25520%0.195SC..Hα-helixtrans-36.7-50.6178.8-74.790.4000111.7F432 I438 H440F432-H436 HydrophobicContact CD1-CB 4.16Å; F432-H436 AromaticContact CD1-CD2 3.39Å; F432-H436 WeakPolarHBondContact CD1-CD2 3.17Å; F432-H436 AromaticContact CD1-CE1 3.72Å; F432-H436 AromaticContact CD1-CG 3.47Å; F432-H436 VanDerWaalsContact CD1-CG 3.47Å; F432-H436 AromaticContact CD1-ND1 3.7Å; F432-H436 AromaticContact CD1-NE2 3.57Å; F432-H436 HydrophobicContact CE1-CB 4.33Å; F432-H436 AromaticContact CE1-CD2 3.63Å; F432-H436 AromaticContact CE1-CG 3.92Å; F432-H436 PolarHBondContact O-N 3.37Å; F432-H436 PolarHBondContact O-ND1 3.42Å; H436-I438 VanDerWaalsContact C-N 3.33Å; H436-I438 PolarHBondContact O-N 2.81Å; H436-H440 AromaticContact CD2-NE2 3.91Å; H436-H440 WeakPolarHBondContact O-CB 3.37Å; H436-H440 PolarHBondContact O-CD2 3.03Å; H436-H440 PolarHBondContact O-N 2.96Å
437Q68.5Low72.2Confident134 Ų13436.8 Ų36.863%0.62620%0.2SC*.Hα-helixtrans-63.9-31.2-174.3-57.1-171.620.200114.4I435 R441I435-Q437 PolarHBondContact O-N 3.43Å; Q437-R441 WeakPolarHBondContact O-CB 3.35Å; Q437-R441 VanDerWaalsContact O-CD 3.27Å; Q437-R441 WeakPolarHBondContact O-CD 3.31Å; Q437-R441 WeakPolarHBondContact O-CG 3.13Å; Q437-R441 PolarHBondContact O-N 3.38Å
438I69.6Low72.1Confident13 Ų1340.8 Ų40.87%0.06722%0.224CC..Hα-helixtrans-85.8-45.3-179.7-69.6-171.5000110.6I395 M398 I435 H436 H440 R441 M442I395-I438 HydrophobicContact CB-CD1 4.05Å; I395-I438 HydrophobicContact CG1-CD1 4.23Å; I395-I438 HydrophobicContact CG2-CD1 3.68Å; I395-I438 WeakPolarHBondContact O-CD1 3.44Å; M398-I438 HydrophobicContact CB-CG2 3.67Å; M398-I438 HydrophobicContact CG-CG2 4.35Å; I435-I438 PolarHBondContact O-N 3.05Å; H436-I438 VanDerWaalsContact C-N 3.33Å; H436-I438 PolarHBondContact O-N 2.81Å; I438-H440 VanDerWaalsContact C-N 3.28Å; I438-H440 PolarHBondContact O-N 3.38Å; I438-R441 PolarHBondContact O-N 2.93Å; I438-M442 HydrophobicContact CG2-SD 4.42Å; I438-M442 WeakPolarHBondContact O-CG 3.23Å; I438-M442 PolarHBondContact O-N 3.28Å
439I75.8Confident71.9Confident0 Ų041.8 Ų41.80%023%0.231CC..Hα-helixtrans-58.3-43.4173.3-71.6174.5000110.3F424 I427 L428 F432 I435 M442 L443F424-I439 HydrophobicContact CD1-CG1 4.5Å; F424-I439 HydrophobicContact CE1-CG2 4.2Å; I427-I439 HydrophobicContact CG2-CD1 3.8Å; I427-I439 HydrophobicContact CG2-CG1 4.12Å; L428-I439 HydrophobicContact CD2-CD1 4.16Å; F432-I439 HydrophobicContact CD2-CD1 3.82Å; F432-I439 HydrophobicContact CE1-CD1 4.35Å; F432-I439 HydrophobicContact CE1-CG2 4.47Å; F432-I439 HydrophobicContact CE2-CD1 3.32Å; F432-I439 HydrophobicContact CE2-CG2 4.34Å; F432-I439 HydrophobicContact CZ-CB 4.15Å; F432-I439 HydrophobicContact CZ-CD1 3.65Å; F432-I439 HydrophobicContact CZ-CG2 3.74Å; I435-I439 HydrophobicContact CB-CD1 4.41Å; I435-I439 HydrophobicContact CG2-CD1 3.94Å; I435-I439 HydrophobicContact CG2-CG1 4.03Å; I435-I439 PolarHBondContact O-N 3.45Å; I435-I439 VanDerWaalsContact O-N 3.15Å; I439-M442 PolarHBondContact O-N 2.97Å; I439-L443 HydrophobicContact CG2-CD1 3.67Å; I439-L443 HydrophobicContact CG2-CG 4.2Å; I439-L443 WeakPolarHBondContact O-CB 3.11Å; I439-L443 WeakPolarHBondContact O-CG 3.37Å; I439-L443 PolarHBondContact O-N 3.19Å
440H77.2Confident71.8Confident40 Ų4039.2 Ų39.219%0.18522%0.218CC..Hα-helixtrans-65-40.6178-70.9-158.4000112H436 I438 S444 F482H436-H440 AromaticContact CD2-NE2 3.91Å; H436-H440 WeakPolarHBondContact O-CB 3.37Å; H436-H440 PolarHBondContact O-CD2 3.03Å; H436-H440 PolarHBondContact O-N 2.96Å; I438-H440 VanDerWaalsContact C-N 3.28Å; I438-H440 PolarHBondContact O-N 3.38Å; H440-S444 WeakPolarHBondContact O-CB 3.43Å; H440-S444 PolarHBondContact O-N 2.94Å; H440-F482 HydrophobicContact CB-CD1 4.46Å; H440-F482 HydrophobicContact CB-CD2 4.28Å; H440-F482 HydrophobicContact CB-CE1 3.89Å; H440-F482 HydrophobicContact CB-CE2 3.7Å; H440-F482 HydrophobicContact CB-CZ 3.44Å; H440-F482 VanDerWaalsContact CB-CZ 3.44Å; H440-F482 AromaticContact CD2-CD2 3.98Å; H440-F482 AromaticContact CD2-CG 3.93Å; H440-F482 AromaticContact CE1-CD2 3.63Å; H440-F482 AromaticContact CG-CD2 3.64Å; H440-F482 AromaticContact CG-CE2 3.52Å; H440-F482 AromaticContact CG-CG 3.98Å; H440-F482 AromaticContact CG-CZ 3.75Å; H440-F482 AromaticContact ND1-CD2 3.4Å; H440-F482 WeakPolarHBondContact ND1-CD2 3.47Å; H440-F482 AromaticContact ND1-CE2 3.39Å; H440-F482 WeakPolarHBondContact ND1-CE2 3.45Å; H440-F482 VanDerWaalsContact O-CE1 3.23Å; H440-F482 WeakPolarHBondContact O-CE1 3.36Å; H440-F482 VanDerWaalsContact O-CZ 3.27Å; H440-F482 WeakPolarHBondContact O-CZ 3.08Å
441R73.2Confident72.1Confident75 Ų7539.6 Ų39.628%0.28322%0.223SC..Hα-helixtrans-62.6-44.7173.8-79167.4179.5167.13.2111.8L402 Q437 I438 L445 M585L402-R441 HydrophobicContact CD1-CB 3.97Å; Q437-R441 WeakPolarHBondContact O-CB 3.35Å; Q437-R441 VanDerWaalsContact O-CD 3.27Å; Q437-R441 WeakPolarHBondContact O-CD 3.31Å; Q437-R441 WeakPolarHBondContact O-CG 3.13Å; Q437-R441 PolarHBondContact O-N 3.38Å; I438-R441 PolarHBondContact O-N 2.93Å; R441-L445 WeakPolarHBondContact O-CB 3.36Å; R441-L445 PolarHBondContact O-N 2.97Å; R441-M585 HydrophobicContact CG-SD 4.4Å; R441-M585 WeakPolarHBondContact O-CE 3.46Å
442M80.1Confident72.6Confident0 Ų035.4 Ų35.40%020%0.195CC..Hα-helixtrans-67.1-47.5178.8-71.5-173.675.500112.2M398 V401 L402 L405 I420 F424 I438 I439 S444 L445 L446M398-M442 HydrophobicContact CB-SD 4.5Å; M398-M442 HydrophobicContact CE-CE 3.3Å; M398-M442 HydrophobicContact CE-SD 3.27Å; M398-M442 WeakPolarHBondContact CE-SD 3.21Å; V401-M442 HydrophobicContact CG1-CE 4.08Å; L402-M442 HydrophobicContact CD1-CG 3.92Å; L405-M442 HydrophobicContact CD1-CE 4.27Å; I420-M442 HydrophobicContact CG2-CE 4.22Å; F424-M442 HydrophobicContact CD2-CE 4.38Å; F424-M442 HydrophobicContact CE2-CB 4.46Å; F424-M442 HydrophobicContact CE2-CE 3.59Å; F424-M442 HydrophobicContact CE2-SD 4.18Å; F424-M442 HydrophobicContact CZ-CB 3.79Å; F424-M442 HydrophobicContact CZ-CE 4.09Å; F424-M442 HydrophobicContact CZ-SD 4.23Å; I438-M442 HydrophobicContact CG2-SD 4.42Å; I438-M442 WeakPolarHBondContact O-CG 3.23Å; I438-M442 PolarHBondContact O-N 3.28Å; I439-M442 PolarHBondContact O-N 2.97Å; M442-S444 VanDerWaalsContact C-N 3.31Å; M442-S444 PolarHBondContact O-N 3.3Å; M442-L445 WeakPolarHBondContact O-CB 3.42Å; M442-L445 PolarHBondContact O-N 2.97Å; M442-L445 VanDerWaalsContact O-N 3.16Å; M442-L446 WeakPolarHBondContact O-CB 3.47Å; M442-L446 VanDerWaalsContact O-CG 3.27Å; M442-L446 WeakPolarHBondContact O-CG 3.48Å; M442-L446 PolarHBondContact O-N 2.95Å
443L82.6Confident73.3Confident0 Ų036.8 Ų36.80%020%0.203CC..Hα-helixtrans-64.4-36.1177.3-70.3176.3000111.8F421 F424 I439 L446 L447 L459 C479 F482 I483F421-L443 HydrophobicContact CE1-CD2 4.39Å; F421-L443 HydrophobicContact CZ-CD2 4.45Å; F424-L443 HydrophobicContact CE1-CD2 3.85Å; F424-L443 HydrophobicContact CE1-CG 3.95Å; F424-L443 HydrophobicContact CZ-CD2 4.02Å; F424-L443 HydrophobicContact CZ-CG 4.3Å; I439-L443 HydrophobicContact CG2-CD1 3.67Å; I439-L443 HydrophobicContact CG2-CG 4.2Å; I439-L443 WeakPolarHBondContact O-CB 3.11Å; I439-L443 WeakPolarHBondContact O-CG 3.37Å; I439-L443 PolarHBondContact O-N 3.19Å; L443-L446 PolarHBondContact O-N 3.13Å; L443-L447 WeakPolarHBondContact O-CB 3.43Å; L443-L447 WeakPolarHBondContact O-CD1 3.39Å; L443-L447 WeakPolarHBondContact O-CG 3.31Å; L443-L447 PolarHBondContact O-N 2.96Å; L443-L459 HydrophobicContact CD2-CD1 4.29Å; L443-C479 HydrophobicContact CD1-CB 3.78Å; L443-F482 HydrophobicContact CB-CD1 3.83Å; L443-F482 HydrophobicContact CB-CE1 3.7Å; L443-F482 HydrophobicContact CD1-CD1 3.95Å; L443-I483 HydrophobicContact CD2-CD1 4.42Å
444S78.5Confident74.3Confident4 Ų433.9 Ų33.93%0.02819%0.186CC..Hα-helixtrans-65.7-36.8172.6175.10000112.1H440 M442 M585H440-S444 WeakPolarHBondContact O-CB 3.43Å; H440-S444 PolarHBondContact O-N 2.94Å; M442-S444 VanDerWaalsContact C-N 3.31Å; M442-S444 PolarHBondContact O-N 3.3Å; S444-M585 WeakPolarHBondContact OG-CG 3.33Å
445L78.6Confident75.7Confident8 Ų831.2 Ų31.24%0.04216%0.159CC..Hα-helixtrans-67.5-47.4173.1-169.757.9000111.2L402 L405 R441 M442 L447 T448 M585L402-L445 HydrophobicContact CD1-CD2 4.32Å; L405-L445 HydrophobicContact CB-CD2 3.55Å; R441-L445 WeakPolarHBondContact O-CB 3.36Å; R441-L445 PolarHBondContact O-N 2.97Å; M442-L445 WeakPolarHBondContact O-CB 3.42Å; M442-L445 PolarHBondContact O-N 2.97Å; M442-L445 VanDerWaalsContact O-N 3.16Å; L445-L447 VanDerWaalsContact C-N 3.27Å; L445-L447 PolarHBondContact O-N 3.21Å; L445-T448 WeakPolarHBondContact O-CA 3.39Å; L445-T448 WeakPolarHBondContact O-CB 3.31Å; L445-T448 PolarHBondContact O-N 3.04Å; L445-T448 PolarHBondContact O-OG1 3.44Å; L445-M585 HydrophobicContact CB-CE 3.66Å; L445-M585 HydrophobicContact CD1-CE 4.21Å; L445-M585 HydrophobicContact CG-CE 4.48Å
446L82.4Confident76.4Confident1 Ų131.2 Ų31.21%0.00516%0.159CC..Hα-helixtrans-62.9-32.1178.5-67.8167.6000112.2I413 I420 F421 F424 M442 L443 T448 C449 F450 L455I413-L446 HydrophobicContact CG2-CD2 4.23Å; I420-L446 HydrophobicContact CG2-CD1 4.33Å; I420-L446 HydrophobicContact CG2-CD2 4.2Å; F421-L446 HydrophobicContact CE2-CD1 4.25Å; F421-L446 HydrophobicContact CZ-CD1 4.24Å; F424-L446 HydrophobicContact CE2-CD1 4.19Å; F424-L446 HydrophobicContact CZ-CD1 3.99Å; M442-L446 WeakPolarHBondContact O-CB 3.47Å; M442-L446 VanDerWaalsContact O-CG 3.27Å; M442-L446 WeakPolarHBondContact O-CG 3.48Å; M442-L446 PolarHBondContact O-N 2.95Å; L443-L446 PolarHBondContact O-N 3.13Å; L446-T448 PolarHBondContact O-N 2.79Å; L446-C449 PolarHBondContact O-N 3.32Å; L446-F450 HydrophobicContact CB-CD2 4.24Å; L446-F450 HydrophobicContact CD2-CD2 3.93Å; L446-F450 HydrophobicContact CD2-CE2 3.62Å; L446-F450 WeakPolarHBondContact O-CD2 3.29Å; L446-F450 PolarHBondContact O-N 2.93Å; L446-L455 HydrophobicContact CB-CD1 4.04Å; L446-L455 HydrophobicContact CB-CD2 3.86Å
447L78.1Confident77.2Confident29 Ų2932.5 Ų32.515%0.15217%0.168CC..THydrogen-bonded Turntrans-66.8-12.1170.9-78.4165.5000113.9L443 L445 A452 L455 N486 N487L443-L447 WeakPolarHBondContact O-CB 3.43Å; L443-L447 WeakPolarHBondContact O-CD1 3.39Å; L443-L447 WeakPolarHBondContact O-CG 3.31Å; L443-L447 PolarHBondContact O-N 2.96Å; L445-L447 VanDerWaalsContact C-N 3.27Å; L445-L447 PolarHBondContact O-N 3.21Å; L447-A452 HydrophobicContact CD2-CB 4.25Å; L447-L455 HydrophobicContact CB-CD1 4.45Å; L447-L455 HydrophobicContact CD2-CD1 3.69Å; L447-L455 HydrophobicContact CG-CD1 3.69Å; L447-N486 HydrophobicContact CD1-CB 3.98Å; L447-N487 WeakPolarHBondContact CD2-ND2 3.15Å
448T74.5Confident77.8Confident86 Ų8627.6 Ų27.653%0.52815%0.145SC..THydrogen-bonded Turntrans-89.6-12.2169.368.50000113.6L445 L446L445-T448 WeakPolarHBondContact O-CA 3.39Å; L445-T448 WeakPolarHBondContact O-CB 3.31Å; L445-T448 PolarHBondContact O-N 3.04Å; L445-T448 PolarHBondContact O-OG1 3.44Å; L446-T448 PolarHBondContact O-N 2.79Å
449C72.3Confident78.5Confident22 Ų2227 Ų2715%0.14914%0.142CC..THydrogen-bonded Turntrans-109.1-35.7179.7-54.10000112.9I413 L446I413-C449 HydrophobicContact CG2-CB 4.44Å; L446-C449 PolarHBondContact O-N 3.32Å
450F75.9Confident79Confident19 Ų1927.7 Ų27.78%0.08314%0.144CC..SBendtrans-119.5162.6-170.3-61.5-75.5000113.4I413 E414 I417 L446 I454 L455I413-F450 HydrophobicContact CG2-CE2 3.72Å; I413-F450 HydrophobicContact CG2-CZ 4Å; E414-F450 HydrophobicContact CB-CE1 4.18Å; E414-F450 HydrophobicContact CB-CZ 4.46Å; E414-F450 HydrophobicContact CG-CD1 4.43Å; E414-F450 HydrophobicContact CG-CE1 3.63Å; E414-F450 HydrophobicContact CG-CZ 4.07Å; I417-F450 HydrophobicContact CB-CE1 4.18Å; I417-F450 HydrophobicContact CB-CE2 4.5Å; I417-F450 HydrophobicContact CB-CZ 3.77Å; I417-F450 HydrophobicContact CD1-CD1 3.88Å; I417-F450 HydrophobicContact CD1-CD2 4.34Å; I417-F450 HydrophobicContact CD1-CE1 3.61Å; I417-F450 HydrophobicContact CD1-CE2 4.1Å; I417-F450 HydrophobicContact CD1-CG 4.23Å; I417-F450 HydrophobicContact CD1-CZ 3.73Å; I417-F450 HydrophobicContact CG1-CE1 4.15Å; I417-F450 HydrophobicContact CG1-CE2 4.11Å; I417-F450 HydrophobicContact CG1-CZ 3.78Å; L446-F450 HydrophobicContact CB-CD2 4.24Å; L446-F450 HydrophobicContact CD2-CD2 3.93Å; L446-F450 HydrophobicContact CD2-CE2 3.62Å; L446-F450 WeakPolarHBondContact O-CD2 3.29Å; L446-F450 PolarHBondContact O-N 2.93Å; F450-I454 HydrophobicContact CD1-CD1 4.36Å; F450-I454 HydrophobicContact CD1-CG2 4.34Å; F450-L455 HydrophobicContact CB-CD2 3.87Å; F450-L455 HydrophobicContact CB-CG 4.11Å; F450-L455 HydrophobicContact CD2-CD2 3.93Å; F450-L455 HydrophobicContact CG-CD2 4.13Å
451T75Confident79.3Confident62 Ų6229.9 Ų29.938%0.3816%0.157SC..  trans-75148.3165.6620000111.5D453 I454 L455T451-D453 PolarHBondContact O-N 2.87Å; T451-I454 PolarHBondContact O-N 3.42Å; T451-I454 VanDerWaalsContact O-N 3.08Å; T451-I454 WeakPolarHBondContact OG1-CD1 3.43Å; T451-I454 WeakPolarHBondContact OG1-CG1 3.45Å; T451-L455 PolarHBondContact O-N 3.15Å
452A75.4Confident79.6Confident0 Ų027.9 Ų27.90%015%0.15CC..Hα-helixtrans-58.2-32.6179.900000113.1L447 I454 L455 F456 I483 N487 M493L447-A452 HydrophobicContact CD2-CB 4.25Å; A452-I454 PolarHBondContact O-N 3.13Å; A452-L455 PolarHBondContact O-N 3Å; A452-F456 VanDerWaalsContact O-CB 3.29Å; A452-F456 WeakPolarHBondContact O-CB 3.45Å; A452-F456 PolarHBondContact O-N 3.29Å; A452-I483 HydrophobicContact CB-CG2 4.14Å; A452-N487 WeakPolarHBondContact CB-ND2 3.41Å; A452-M493 HydrophobicContact CB-CG 4Å; A452-M493 HydrophobicContact CB-SD 3.41Å; A452-M493 WeakPolarHBondContact CB-SD 3.27Å
453D75.7Confident79.6Confident34 Ų3428 Ų2818%0.18215%0.15CC..Hα-helixtrans-62.9-38.5175.1-87.817.1000112.7T451 F456 N457 M493 D494T451-D453 PolarHBondContact O-N 2.87Å; D453-F456 PolarHBondContact O-N 3.48Å; D453-N457 WeakPolarHBondContact O-CB 3.26Å; D453-N457 PolarHBondContact O-N 2.94Å; D453-N457 PolarHBondContact O-ND2 3.22Å; D453-M493 WeakPolarHBondContact OD1-CA 3.47Å; D453-M493 WeakPolarHBondContact OD1-CB 2.98Å; D453-M493 VanDerWaalsContact OD1-CG 3.3Å; D453-M493 WeakPolarHBondContact OD1-CG 3.17Å; D453-D494 PolarHBondContact OD1-N 3.48Å; D453-D494 PolarHBondContact OD2-N 3.35Å
454I79.7Confident79.5Confident68 Ų6831 Ų3135%0.34917%0.166SC..Hα-helixtrans-64.7-47.1177.1-65.1168000109.8I417 F450 T451 A452 F456 N457 E458I417-I454 HydrophobicContact CD1-CG2 3.37Å; F450-I454 HydrophobicContact CD1-CD1 4.36Å; F450-I454 HydrophobicContact CD1-CG2 4.34Å; T451-I454 PolarHBondContact O-N 3.42Å; T451-I454 VanDerWaalsContact O-N 3.08Å; T451-I454 WeakPolarHBondContact OG1-CD1 3.43Å; T451-I454 WeakPolarHBondContact OG1-CG1 3.45Å; A452-I454 PolarHBondContact O-N 3.13Å; I454-F456 VanDerWaalsContact C-N 3.33Å; I454-F456 PolarHBondContact O-N 3.09Å; I454-N457 PolarHBondContact O-N 3.01Å; I454-E458 PolarHBondContact O-N 3.08Å; I454-E458 VanDerWaalsContact O-N 3.09Å
455L81.8Confident79.4Confident0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-66.4-35.8179-53.2-179.1000111.9F421 L446 L447 F450 T451 A452 L459 I483F421-L455 HydrophobicContact CE2-CD2 3.64Å; F421-L455 HydrophobicContact CZ-CB 4.23Å; F421-L455 HydrophobicContact CZ-CD2 3.65Å; L446-L455 HydrophobicContact CB-CD1 4.04Å; L446-L455 HydrophobicContact CB-CD2 3.86Å; L447-L455 HydrophobicContact CB-CD1 4.45Å; L447-L455 HydrophobicContact CD2-CD1 3.69Å; L447-L455 HydrophobicContact CG-CD1 3.69Å; F450-L455 HydrophobicContact CB-CD2 3.87Å; F450-L455 HydrophobicContact CB-CG 4.11Å; F450-L455 HydrophobicContact CD2-CD2 3.93Å; F450-L455 HydrophobicContact CG-CD2 4.13Å; T451-L455 PolarHBondContact O-N 3.15Å; A452-L455 PolarHBondContact O-N 3Å; L455-L459 WeakPolarHBondContact O-CB 3.29Å; L455-L459 WeakPolarHBondContact O-CD1 3.28Å; L455-L459 VanDerWaalsContact O-CG 3.28Å; L455-L459 WeakPolarHBondContact O-CG 3.32Å; L455-L459 PolarHBondContact O-N 3.02Å; L455-L459 VanDerWaalsContact O-N 3.11Å; L455-I483 HydrophobicContact CB-CD1 3.98Å
456F82.7Confident79Confident5 Ų537.4 Ų37.42%0.02220%0.2CC..Hα-helixtrans-63.9-46.4173.8-179.6-90.5000111.4A452 D453 I454 L459 W460 I480 M498 C501A452-F456 VanDerWaalsContact O-CB 3.29Å; A452-F456 WeakPolarHBondContact O-CB 3.45Å; A452-F456 PolarHBondContact O-N 3.29Å; D453-F456 PolarHBondContact O-N 3.48Å; I454-F456 VanDerWaalsContact C-N 3.33Å; I454-F456 PolarHBondContact O-N 3.09Å; F456-L459 PolarHBondContact O-N 3.3Å; F456-W460 HydrophobicContact CE1-CB 4.36Å; F456-W460 HydrophobicContact CE1-CD2 4.49Å; F456-W460 HydrophobicContact CE1-CE3 4.32Å; F456-W460 HydrophobicContact CE1-CG 4.48Å; F456-W460 HydrophobicContact CE2-CE3 4.14Å; F456-W460 HydrophobicContact CZ-CD2 4.24Å; F456-W460 AromaticContact CZ-CE3 3.67Å; F456-W460 HydrophobicContact CZ-CE3 3.67Å; F456-W460 HydrophobicContact CZ-CZ3 4.31Å; F456-W460 WeakPolarHBondContact O-CB 3.26Å; F456-W460 PolarHBondContact O-N 3.38Å; F456-I480 HydrophobicContact CD2-CD1 4.39Å; F456-I480 HydrophobicContact CD2-CG1 4.08Å; F456-I480 HydrophobicContact CD2-CG2 4.17Å; F456-I480 HydrophobicContact CE2-CD1 3.95Å; F456-I480 HydrophobicContact CE2-CG1 4.08Å; F456-I480 HydrophobicContact CE2-CG2 3.87Å; F456-M498 HydrophobicContact CD1-CG 4.4Å; F456-M498 HydrophobicContact CD2-CG 4.22Å; F456-M498 HydrophobicContact CE1-CG 4.19Å; F456-M498 HydrophobicContact CE2-CG 3.99Å; F456-M498 HydrophobicContact CG-CG 4.43Å; F456-M498 HydrophobicContact CZ-CG 3.98Å; F456-C501 HydrophobicContact CE1-CB 4.17Å; F456-C501 HydrophobicContact CZ-CB 3.74Å
457N82.7Confident78.2Confident82 Ų8242.6 Ų42.644%0.43923%0.228SC..Hα-helixtrans-62.7-49.1-180-71.5-35000112D453 I454 L459 W460 L461D453-N457 WeakPolarHBondContact O-CB 3.26Å; D453-N457 PolarHBondContact O-N 2.94Å; D453-N457 PolarHBondContact O-ND2 3.22Å; I454-N457 PolarHBondContact O-N 3.01Å; N457-L459 VanDerWaalsContact C-N 3.31Å; N457-L459 PolarHBondContact O-N 3.47Å; N457-W460 PolarHBondContact O-N 3Å; N457-W460 VanDerWaalsContact O-N 3.16Å; N457-L461 PolarHBondContact O-N 3.48Å; N457-L461 VanDerWaalsContact O-N 3.16Å
458E83Confident77.7Confident32 Ų3248 Ų4815%0.1526%0.262CS..Hα-helixtrans-61.6-37.9177.4-73.2-71.1163.900111.8F421 I454 Y462F421-E458 HydrophobicContact CD1-CB 4.02Å; F421-E458 HydrophobicContact CD2-CB 3.8Å; F421-E458 HydrophobicContact CD2-CG 4.01Å; F421-E458 HydrophobicContact CE1-CB 4.14Å; F421-E458 HydrophobicContact CE2-CB 3.9Å; F421-E458 HydrophobicContact CE2-CG 4.24Å; F421-E458 HydrophobicContact CG-CB 3.85Å; F421-E458 HydrophobicContact CG-CG 4.4Å; F421-E458 HydrophobicContact CZ-CB 4.06Å; I454-E458 PolarHBondContact O-N 3.08Å; I454-E458 VanDerWaalsContact O-N 3.09Å; E458-Y462 WeakPolarHBondContact O-CD2 3.05Å
459L83.8Confident77.8Confident0 Ų045.7 Ų45.70%025%0.247CC..Hα-helixtrans-67.7-40.1172.3-76.2170.1000113F421 L443 L455 F456 N457 L461 Y462 Y463 V476 C479 I483F421-L459 HydrophobicContact CE1-CD2 4.09Å; F421-L459 HydrophobicContact CE1-CG 3.93Å; L443-L459 HydrophobicContact CD2-CD1 4.29Å; L455-L459 WeakPolarHBondContact O-CB 3.29Å; L455-L459 WeakPolarHBondContact O-CD1 3.28Å; L455-L459 VanDerWaalsContact O-CG 3.28Å; L455-L459 WeakPolarHBondContact O-CG 3.32Å; L455-L459 PolarHBondContact O-N 3.02Å; L455-L459 VanDerWaalsContact O-N 3.11Å; F456-L459 PolarHBondContact O-N 3.3Å; N457-L459 VanDerWaalsContact C-N 3.31Å; N457-L459 PolarHBondContact O-N 3.47Å; L459-L461 VanDerWaalsContact C-N 3.27Å; L459-L461 PolarHBondContact O-N 3.2Å; L459-Y462 WeakPolarHBondContact O-CB 3.37Å; L459-Y462 PolarHBondContact O-N 3.37Å; L459-Y463 PolarHBondContact O-N 2.91Å; L459-V476 HydrophobicContact CB-CG1 4.26Å; L459-V476 WeakPolarHBondContact O-CG1 3.33Å; L459-C479 HydrophobicContact CD1-CB 3.6Å; L459-C479 HydrophobicContact CD2-CB 3.84Å; L459-C479 HydrophobicContact CG-CB 4.37Å; L459-I483 HydrophobicContact CD1-CD1 3.39Å
460W85.5Confident78.2Confident15 Ų1547.1 Ų47.16%0.05725%0.253CS..Hα-helixtrans-66.9-29.1-177.1-162-89.6000112.7F456 N457 Y462 Y463 N464 I480 C501F456-W460 HydrophobicContact CE1-CB 4.36Å; F456-W460 HydrophobicContact CE1-CD2 4.49Å; F456-W460 HydrophobicContact CE1-CE3 4.32Å; F456-W460 HydrophobicContact CE1-CG 4.48Å; F456-W460 HydrophobicContact CE2-CE3 4.14Å; F456-W460 HydrophobicContact CZ-CD2 4.24Å; F456-W460 AromaticContact CZ-CE3 3.67Å; F456-W460 HydrophobicContact CZ-CE3 3.67Å; F456-W460 HydrophobicContact CZ-CZ3 4.31Å; F456-W460 WeakPolarHBondContact O-CB 3.26Å; F456-W460 PolarHBondContact O-N 3.38Å; N457-W460 PolarHBondContact O-N 3Å; N457-W460 VanDerWaalsContact O-N 3.16Å; W460-Y462 VanDerWaalsContact C-N 3.25Å; W460-Y462 PolarHBondContact O-N 3.5Å; W460-Y463 AromaticContact CE2-CD1 3.85Å; W460-Y463 AromaticContact CH2-CD1 3.67Å; W460-Y463 HydrophobicContact CH2-CD1 3.67Å; W460-Y463 HydrophobicContact CH2-CD2 4.45Å; W460-Y463 AromaticContact CH2-CE1 3.76Å; W460-Y463 HydrophobicContact CH2-CE1 3.76Å; W460-Y463 HydrophobicContact CH2-CG 4.03Å; W460-Y463 AromaticContact CZ2-CD1 3.36Å; W460-Y463 HydrophobicContact CZ2-CD1 3.36Å; W460-Y463 AromaticContact CZ2-CE1 3.63Å; W460-Y463 HydrophobicContact CZ2-CE1 3.63Å; W460-Y463 HydrophobicContact CZ2-CG 4.05Å; W460-Y463 HydrophobicContact CZ3-CD1 4.4Å; W460-Y463 HydrophobicContact CZ3-CG 4.34Å; W460-Y463 WeakPolarHBondContact O-CB 3.4Å; W460-Y463 PolarHBondContact O-N 3.17Å; W460-N464 PolarHBondContact NE1-ND2 3.39Å; W460-N464 PolarHBondContact NE1-OD1 2.87Å; W460-N464 PolarHBondContact O-N 2.97Å; W460-I480 HydrophobicContact CE3-CD1 3.55Å; W460-I480 HydrophobicContact CZ3-CD1 3.68Å; W460-C501 HydrophobicContact CD2-CB 3.72Å; W460-C501 HydrophobicContact CE3-CB 3.81Å; W460-C501 VanDerWaalsContact CH2-C 3.4Å; W460-C501 HydrophobicContact CH2-CB 3.71Å; W460-C501 WeakPolarHBondContact CH2-O 3.43Å; W460-C501 HydrophobicContact CZ2-CB 3.57Å; W460-C501 VanDerWaalsContact CZ2-O 3.31Å; W460-C501 WeakPolarHBondContact CZ2-O 3.23Å; W460-C501 HydrophobicContact CZ3-CB 3.81Å
461L83.7Confident78.2Confident86 Ų8652 Ų5245%0.4528%0.275SS..Hα-helixtrans-56.2-40169.2-67.3173.9000111.8N457 L459 Y463 N465N457-L461 PolarHBondContact O-N 3.48Å; N457-L461 VanDerWaalsContact O-N 3.16Å; L459-L461 VanDerWaalsContact C-N 3.27Å; L459-L461 PolarHBondContact O-N 3.2Å; L461-Y463 VanDerWaalsContact C-N 3.33Å; L461-Y463 PolarHBondContact O-N 3.16Å; L461-N465 VanDerWaalsContact O-CB 3.24Å; L461-N465 WeakPolarHBondContact O-CB 3.49Å; L461-N465 PolarHBondContact O-N 3.36Å; L461-N465 PolarHBondContact O-ND2 2.93Å
462Y78.9Confident78.4Confident32 Ų3249 Ų4913%0.12526%0.257CS..Hα-helixtrans-71.1-25.5175.6-66.2-75.2000113.4F421 R422 H425 L428 E458 L459 W460 N466F421-Y462 PolarHBondContact O-OH 3.25Å; R422-Y462 WeakPolarHBondContact CA-OH 3.44Å; H425-Y462 HydrophobicContact CB-CE1 3.88Å; H425-Y462 AromaticContact CG-CE1 4Å; H425-Y462 AromaticContact ND1-CD1 3.53Å; H425-Y462 AromaticContact ND1-CE1 3.43Å; H425-Y462 WeakPolarHBondContact ND1-CE1 3.39Å; L428-Y462 HydrophobicContact CD1-CG 4.35Å; E458-Y462 WeakPolarHBondContact O-CD2 3.05Å; L459-Y462 WeakPolarHBondContact O-CB 3.37Å; L459-Y462 PolarHBondContact O-N 3.37Å; W460-Y462 VanDerWaalsContact C-N 3.25Å; W460-Y462 PolarHBondContact O-N 3.5Å; Y462-N466 WeakPolarHBondContact O-CB 3.34Å; Y462-N466 PolarHBondContact O-ND2 2.83Å
463Y81.4Confident78.7Confident3 Ų350 Ų501%0.01226%0.261CS..Hα-helixtrans-70.6-51.5172.3-171.8-92.2000111.2L459 W460 L461 R473 L477 G505L459-Y463 PolarHBondContact O-N 2.91Å; W460-Y463 AromaticContact CE2-CD1 3.85Å; W460-Y463 AromaticContact CH2-CD1 3.67Å; W460-Y463 HydrophobicContact CH2-CD1 3.67Å; W460-Y463 HydrophobicContact CH2-CD2 4.45Å; W460-Y463 AromaticContact CH2-CE1 3.76Å; W460-Y463 HydrophobicContact CH2-CE1 3.76Å; W460-Y463 HydrophobicContact CH2-CG 4.03Å; W460-Y463 AromaticContact CZ2-CD1 3.36Å; W460-Y463 HydrophobicContact CZ2-CD1 3.36Å; W460-Y463 AromaticContact CZ2-CE1 3.63Å; W460-Y463 HydrophobicContact CZ2-CE1 3.63Å; W460-Y463 HydrophobicContact CZ2-CG 4.05Å; W460-Y463 HydrophobicContact CZ3-CD1 4.4Å; W460-Y463 HydrophobicContact CZ3-CG 4.34Å; W460-Y463 WeakPolarHBondContact O-CB 3.4Å; W460-Y463 PolarHBondContact O-N 3.17Å; L461-Y463 VanDerWaalsContact C-N 3.33Å; L461-Y463 PolarHBondContact O-N 3.16Å; Y463-R473 HydrophobicContact CD2-CB 3.9Å; Y463-R473 HydrophobicContact CD2-CG 4.23Å; Y463-R473 HydrophobicContact CE2-CB 3.76Å; Y463-R473 HydrophobicContact CE2-CG 4.32Å; Y463-R473 PolarHBondContact OH-NH2 3.31Å; Y463-L477 HydrophobicContact CD2-CG 4.33Å; Y463-L477 HydrophobicContact CE2-CD1 3.89Å; Y463-L477 HydrophobicContact CE2-CD2 4.41Å; Y463-L477 HydrophobicContact CE2-CG 3.95Å; Y463-G505 VanDerWaalsContact OH-CA 3.31Å; Y463-G505 WeakPolarHBondContact OH-CA 3.37Å
464N79.9Confident79Confident63 Ų6349.5 Ų49.534%0.33726%0.258SS..Hα-helixtrans-64.8-42-178.3-75.8-5.2000113.1W460 N466 N467W460-N464 PolarHBondContact NE1-ND2 3.39Å; W460-N464 PolarHBondContact NE1-OD1 2.87Å; W460-N464 PolarHBondContact O-N 2.97Å; N464-N466 PolarHBondContact O-N 3.23Å; N464-N467 PolarHBondContact O-ND2 3.31Å; N464-N467 VanDerWaalsContact O-ND2 3.13Å; N464-N467 PolarHBondContact O-OD1 3.48Å
465N76.6Confident79.1Confident122 Ų12246.6 Ų46.665%0.65224%0.243SC*.THydrogen-bonded Turntrans-76.9-8.8-173.2-66.6-8.7000113.5L461L461-N465 VanDerWaalsContact O-CB 3.24Å; L461-N465 WeakPolarHBondContact O-CB 3.49Å; L461-N465 PolarHBondContact O-N 3.36Å; L461-N465 PolarHBondContact O-ND2 2.93Å
466N70.8Confident79.3Confident24 Ų2446.6 Ų46.613%0.12824%0.243CC..THydrogen-bonded Turntrans-123.437.9-173.3-64.5-80.9000112.6Y462 N464 T468 N469 I472 R473Y462-N466 WeakPolarHBondContact O-CB 3.34Å; Y462-N466 PolarHBondContact O-ND2 2.83Å; N464-N466 PolarHBondContact O-N 3.23Å; N466-T468 PolarHBondContact O-N 3.3Å; N466-N469 HydrophobicContact CB-CB 4.38Å; N466-N469 PolarHBondContact O-N 3.46Å; N466-I472 HydrophobicContact CB-CB 4.13Å; N466-I472 HydrophobicContact CB-CD1 3.84Å; N466-I472 HydrophobicContact CB-CG2 3.99Å; N466-I472 VanDerWaalsContact CG-CD1 3.46Å; N466-I472 VanDerWaalsContact OD1-CD1 3.31Å; N466-I472 WeakPolarHBondContact OD1-CD1 3.48Å; N466-R473 VanDerWaalsContact O-CD 3.31Å; N466-R473 WeakPolarHBondContact O-CD 3.39Å
467N64.6Low79.4Confident110 Ų11046.4 Ų46.459%0.58824%0.242SC*.THydrogen-bonded Turntrans-49.2-27.4-177.1-70.9-38.2000115.3N464N464-N467 PolarHBondContact O-ND2 3.31Å; N464-N467 VanDerWaalsContact O-ND2 3.13Å; N464-N467 PolarHBondContact O-OD1 3.48Å
468T67.1Low79.3Confident142 Ų14245.6 Ų45.687%0.87123%0.234SC*.THydrogen-bonded Turntrans-88.7-15.1177.951.60000114.6N466N466-T468 PolarHBondContact O-N 3.3Å
469N78.2Confident79.2Confident39 Ų3944.1 Ų44.121%0.20923%0.227CC..  trans-107.985.5-176.4-171.5-22.1000110.8N466 H471 I472 R473N466-N469 HydrophobicContact CB-CB 4.38Å; N466-N469 PolarHBondContact O-N 3.46Å; N469-H471 PolarHBondContact O-N 2.86Å; N469-H471 VanDerWaalsContact O-N 3.12Å; N469-H471 WeakPolarHBondContact OD1-CB 3.39Å; N469-H471 PolarHBondContact OD1-N 3.04Å; N469-H471 VanDerWaalsContact OD1-N 3.12Å; N469-I472 HydrophobicContact CB-CB 4.47Å; N469-I472 HydrophobicContact CB-CD1 4.01Å; N469-I472 HydrophobicContact CB-CG1 4.28Å; N469-I472 WeakPolarHBondContact ND2-CD1 3.26Å; N469-I472 PolarHBondContact O-N 3.44Å; N469-I472 VanDerWaalsContact O-N 3.08Å; N469-I472 PolarHBondContact OD1-N 2.83Å; N469-R473 WeakPolarHBondContact O-CG 3.37Å; N469-R473 PolarHBondContact O-N 2.98Å; N469-R473 VanDerWaalsContact O-N 3.17Å
470D79.1Confident79.2Confident52 Ų5244.1 Ų44.128%0.27823%0.227SC..Hα-helixtrans-56.8-25.9177.8-78.2-10.7000113.8R473 I474 N510 I513D470-R473 PolarHBondContact O-N 3.12Å; D470-R473 IonicContact OD1-CZ 2.83Å; D470-R473 IonicContact OD1-NH1 3.32Å; D470-R473 PolarHBondContact OD1-NH1 2.87Å; D470-I474 VanDerWaalsContact O-CB 3.3Å; D470-I474 WeakPolarHBondContact O-CB 3.3Å; D470-I474 WeakPolarHBondContact O-CD1 3.37Å; D470-I474 WeakPolarHBondContact O-CG1 3.45Å; D470-I474 PolarHBondContact O-N 2.89Å; D470-N510 PolarHBondContact OD2-ND2 3.12Å; D470-I513 HydrophobicContact CB-CD1 4.02Å; D470-I513 VanDerWaalsContact OD1-CD1 3.25Å; D470-I513 WeakPolarHBondContact OD1-CD1 3.14Å
471H75.8Confident79Confident120 Ų12045.2 Ų45.256%0.55623%0.232SC*.Hα-helixtrans-65.7-47.6174.4-66.1-64.9000111.4N469 R473 I474 N475N469-H471 PolarHBondContact O-N 2.86Å; N469-H471 VanDerWaalsContact O-N 3.12Å; N469-H471 WeakPolarHBondContact OD1-CB 3.39Å; N469-H471 PolarHBondContact OD1-N 3.04Å; N469-H471 VanDerWaalsContact OD1-N 3.12Å; H471-R473 VanDerWaalsContact C-N 3.29Å; H471-R473 PolarHBondContact O-N 3.28Å; H471-I474 PolarHBondContact O-N 2.8Å; H471-N475 WeakPolarHBondContact O-CB 3.34Å; H471-N475 PolarHBondContact O-N 3.04Å; H471-N475 PolarHBondContact O-ND2 2.88Å; H471-N475 PolarHBondContact O-OD1 3.38Å
472I79.2Confident78.7Confident0 Ų041.7 Ų41.70%021%0.213CC..Hα-helixtrans-59.2-43.8174.1-64.4171.1000110.3L428 M429 N466 N469 N475 V476L428-I472 HydrophobicContact CB-CG2 4.49Å; L428-I472 WeakPolarHBondContact O-CG1 3.13Å; M429-I472 HydrophobicContact CE-CD1 3.71Å; M429-I472 HydrophobicContact CG-CD1 4.24Å; M429-I472 HydrophobicContact SD-CD1 3.76Å; M429-I472 HydrophobicContact SD-CG1 4.44Å; N466-I472 HydrophobicContact CB-CB 4.13Å; N466-I472 HydrophobicContact CB-CD1 3.84Å; N466-I472 HydrophobicContact CB-CG2 3.99Å; N466-I472 VanDerWaalsContact CG-CD1 3.46Å; N466-I472 VanDerWaalsContact OD1-CD1 3.31Å; N466-I472 WeakPolarHBondContact OD1-CD1 3.48Å; N469-I472 HydrophobicContact CB-CB 4.47Å; N469-I472 HydrophobicContact CB-CD1 4.01Å; N469-I472 HydrophobicContact CB-CG1 4.28Å; N469-I472 WeakPolarHBondContact ND2-CD1 3.26Å; N469-I472 PolarHBondContact O-N 3.44Å; N469-I472 VanDerWaalsContact O-N 3.08Å; N469-I472 PolarHBondContact OD1-N 2.83Å; I472-N475 PolarHBondContact O-N 3.23Å; I472-V476 HydrophobicContact CG2-CG2 4.07Å; I472-V476 WeakPolarHBondContact O-CB 3.37Å; I472-V476 WeakPolarHBondContact O-CG2 3.46Å; I472-V476 PolarHBondContact O-N 2.89Å
473R83.6Confident78.6Confident22 Ų2240.3 Ų40.38%0.08321%0.208CC..Hα-helixtrans-65.3-43.3-176.3-60.9168.978.1-130.5-6.4111.8Y463 N466 N469 D470 H471 L477 D508 I513Y463-R473 HydrophobicContact CD2-CB 3.9Å; Y463-R473 HydrophobicContact CD2-CG 4.23Å; Y463-R473 HydrophobicContact CE2-CB 3.76Å; Y463-R473 HydrophobicContact CE2-CG 4.32Å; Y463-R473 PolarHBondContact OH-NH2 3.31Å; N466-R473 VanDerWaalsContact O-CD 3.31Å; N466-R473 WeakPolarHBondContact O-CD 3.39Å; N469-R473 WeakPolarHBondContact O-CG 3.37Å; N469-R473 PolarHBondContact O-N 2.98Å; N469-R473 VanDerWaalsContact O-N 3.17Å; D470-R473 PolarHBondContact O-N 3.12Å; D470-R473 IonicContact OD1-CZ 2.83Å; D470-R473 IonicContact OD1-NH1 3.32Å; D470-R473 PolarHBondContact OD1-NH1 2.87Å; H471-R473 VanDerWaalsContact C-N 3.29Å; H471-R473 PolarHBondContact O-N 3.28Å; R473-L477 WeakPolarHBondContact O-CG 3.37Å; R473-L477 PolarHBondContact O-N 2.84Å; R473-L477 VanDerWaalsContact O-N 3.08Å; R473-D508 IonicContact CZ-OD2 2.61Å; R473-D508 IonicContact NH1-OD1 3.78Å; R473-D508 IonicContact NH1-OD2 3.76Å; R473-D508 PolarHBondContact NH1-OD2 3.44Å; R473-D508 IonicContact NH2-OD2 2.72Å; R473-D508 PolarHBondContact NH2-OD2 3.15Å; R473-I513 HydrophobicContact CB-CD1 3.84Å
474I82Confident78.3Confident22 Ų2240.2 Ų40.211%0.11321%0.207CC..Hα-helixtrans-61.6-45170.8-70.1167.1000111D470 H471 L477 Y478 M512 I513D470-I474 VanDerWaalsContact O-CB 3.3Å; D470-I474 WeakPolarHBondContact O-CB 3.3Å; D470-I474 WeakPolarHBondContact O-CD1 3.37Å; D470-I474 WeakPolarHBondContact O-CG1 3.45Å; D470-I474 PolarHBondContact O-N 2.89Å; H471-I474 PolarHBondContact O-N 2.8Å; I474-L477 PolarHBondContact O-N 2.97Å; I474-Y478 HydrophobicContact CG2-CD2 3.78Å; I474-Y478 HydrophobicContact CG2-CE2 3.41Å; I474-Y478 VanDerWaalsContact CG2-CE2 3.41Å; I474-Y478 VanDerWaalsContact O-CD2 3.29Å; I474-Y478 WeakPolarHBondContact O-CD2 3.37Å; I474-Y478 PolarHBondContact O-N 2.92Å; I474-M512 HydrophobicContact CD1-CB 3.77Å; I474-M512 HydrophobicContact CG1-CB 4.43Å; I474-I513 HydrophobicContact CD1-CG1 4.18Å; I474-I513 HydrophobicContact CG1-CD1 4.36Å; I474-I513 HydrophobicContact CG1-CG1 3.47Å; I474-I513 VanDerWaalsContact CG1-CG1 3.47Å
475N81.2Confident78Confident8 Ų838.8 Ų38.84%0.04320%0.2CC..Hα-helixtrans-65.8-42.8-177.4-72.4-8.4000112.3L428 N430 F432 H471 I472 Y478 C479L428-N475 HydrophobicContact CD2-CB 3.86Å; L428-N475 PolarHBondContact O-ND2 3.2Å; N430-N475 PolarHBondContact O-ND2 3.24Å; F432-N475 WeakPolarHBondContact CB-OD1 3.46Å; F432-N475 HydrophobicContact CD2-CB 3.53Å; F432-N475 VanDerWaalsContact CD2-CG 3.46Å; F432-N475 HydrophobicContact CE2-CB 3.84Å; F432-N475 WeakPolarHBondContact CE2-O 3.25Å; H471-N475 WeakPolarHBondContact O-CB 3.34Å; H471-N475 PolarHBondContact O-N 3.04Å; H471-N475 PolarHBondContact O-ND2 2.88Å; H471-N475 PolarHBondContact O-OD1 3.38Å; I472-N475 PolarHBondContact O-N 3.23Å; N475-Y478 WeakPolarHBondContact O-CB 3.49Å; N475-Y478 PolarHBondContact O-N 3.33Å; N475-C479 PolarHBondContact O-N 2.92Å; N475-C479 PolarHBondContact O-SG 2.79Å; N475-C479 VanDerWaalsContact O-SG 3.35Å
476V84.6Confident77.4Confident0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-63.7-40.2173169.10000111L428 L459 I472 Y478 C479 I480L428-V476 HydrophobicContact CD1-CG2 4.05Å; L428-V476 HydrophobicContact CD2-CG2 4.49Å; L459-V476 HydrophobicContact CB-CG1 4.26Å; L459-V476 WeakPolarHBondContact O-CG1 3.33Å; I472-V476 HydrophobicContact CG2-CG2 4.07Å; I472-V476 WeakPolarHBondContact O-CB 3.37Å; I472-V476 WeakPolarHBondContact O-CG2 3.46Å; I472-V476 PolarHBondContact O-N 2.89Å; V476-Y478 VanDerWaalsContact C-N 3.29Å; V476-Y478 PolarHBondContact O-N 3.02Å; V476-C479 WeakPolarHBondContact O-CB 3.25Å; V476-C479 PolarHBondContact O-N 3.16Å; V476-C479 VanDerWaalsContact O-N 3.13Å; V476-I480 HydrophobicContact CG1-CD1 3.79Å; V476-I480 HydrophobicContact CG1-CG1 4.41Å; V476-I480 WeakPolarHBondContact O-CG1 3.41Å; V476-I480 PolarHBondContact O-N 2.92Å
477L85Confident76.8Confident0 Ų033.8 Ų33.80%017%0.173CC..Hα-helixtrans-63.3-33.5173.1-74.5169.5000112.5Y463 R473 I474 I480 K481 I513 V516 T517Y463-L477 HydrophobicContact CD2-CG 4.33Å; Y463-L477 HydrophobicContact CE2-CD1 3.89Å; Y463-L477 HydrophobicContact CE2-CD2 4.41Å; Y463-L477 HydrophobicContact CE2-CG 3.95Å; R473-L477 WeakPolarHBondContact O-CG 3.37Å; R473-L477 PolarHBondContact O-N 2.84Å; R473-L477 VanDerWaalsContact O-N 3.08Å; I474-L477 PolarHBondContact O-N 2.97Å; L477-I480 PolarHBondContact O-N 3.31Å; L477-K481 VanDerWaalsContact O-CB 3.29Å; L477-K481 WeakPolarHBondContact O-CB 3.4Å; L477-K481 PolarHBondContact O-N 2.67Å; L477-I513 HydrophobicContact CD1-CB 4.49Å; L477-I513 HydrophobicContact CD1-CG2 3.76Å; L477-V516 HydrophobicContact CB-CB 4.25Å; L477-V516 HydrophobicContact CB-CG1 3.73Å; L477-T517 WeakPolarHBondContact CD1-OG1 3.34Å
478Y81.7Confident76.4Confident66 Ų6632.5 Ų32.526%0.25916%0.163SC..Hα-helixtrans-68-38.6169.9-75-57000112.9I474 N475 V476 K481 F482 V516I474-Y478 HydrophobicContact CG2-CD2 3.78Å; I474-Y478 HydrophobicContact CG2-CE2 3.41Å; I474-Y478 VanDerWaalsContact CG2-CE2 3.41Å; I474-Y478 VanDerWaalsContact O-CD2 3.29Å; I474-Y478 WeakPolarHBondContact O-CD2 3.37Å; I474-Y478 PolarHBondContact O-N 2.92Å; N475-Y478 WeakPolarHBondContact O-CB 3.49Å; N475-Y478 PolarHBondContact O-N 3.33Å; V476-Y478 VanDerWaalsContact C-N 3.29Å; V476-Y478 PolarHBondContact O-N 3.02Å; Y478-K481 HydrophobicContact CD1-CD 4.48Å; Y478-K481 PolarHBondContact O-N 3.38Å; Y478-F482 WeakPolarHBondContact O-CB 3.34Å; Y478-F482 PolarHBondContact O-N 2.78Å; Y478-V516 HydrophobicContact CD1-CG1 3.9Å; Y478-V516 HydrophobicContact CE1-CG1 3.94Å; Y478-V516 HydrophobicContact CE1-CG2 3.81Å; Y478-V516 HydrophobicContact CE2-CG2 4.18Å; Y478-V516 HydrophobicContact CG-CG1 4.38Å
479C81.2Confident75.5Confident0 Ų028.8 Ų28.80%014%0.135CC..Hα-helixtrans-60.2-45171.3-63.10000112L443 L459 N475 V476 F482 I483L443-C479 HydrophobicContact CD1-CB 3.78Å; L459-C479 HydrophobicContact CD1-CB 3.6Å; L459-C479 HydrophobicContact CD2-CB 3.84Å; L459-C479 HydrophobicContact CG-CB 4.37Å; N475-C479 PolarHBondContact O-N 2.92Å; N475-C479 PolarHBondContact O-SG 2.79Å; N475-C479 VanDerWaalsContact O-SG 3.35Å; V476-C479 WeakPolarHBondContact O-CB 3.25Å; V476-C479 PolarHBondContact O-N 3.16Å; V476-C479 VanDerWaalsContact O-N 3.13Å; C479-F482 WeakPolarHBondContact O-CB 3.24Å; C479-F482 PolarHBondContact O-N 3.46Å; C479-I483 WeakPolarHBondContact O-CG1 3.21Å; C479-I483 PolarHBondContact O-N 3.16Å
480I83.6Confident74.3Confident0 Ų036.6 Ų36.60%017%0.167CC..Hα-helixtrans-64.3-44.4176.9-68.8164.2000110.2F456 W460 V476 L477 F482 I483 L484 I502F456-I480 HydrophobicContact CD2-CD1 4.39Å; F456-I480 HydrophobicContact CD2-CG1 4.08Å; F456-I480 HydrophobicContact CD2-CG2 4.17Å; F456-I480 HydrophobicContact CE2-CD1 3.95Å; F456-I480 HydrophobicContact CE2-CG1 4.08Å; F456-I480 HydrophobicContact CE2-CG2 3.87Å; W460-I480 HydrophobicContact CE3-CD1 3.55Å; W460-I480 HydrophobicContact CZ3-CD1 3.68Å; V476-I480 HydrophobicContact CG1-CD1 3.79Å; V476-I480 HydrophobicContact CG1-CG1 4.41Å; V476-I480 WeakPolarHBondContact O-CG1 3.41Å; V476-I480 PolarHBondContact O-N 2.92Å; L477-I480 PolarHBondContact O-N 3.31Å; I480-F482 VanDerWaalsContact C-N 3.27Å; I480-F482 PolarHBondContact O-N 2.82Å; I480-I483 PolarHBondContact O-N 3.37Å; I480-L484 HydrophobicContact CG2-CD1 3.91Å; I480-L484 HydrophobicContact CG2-CG 4.29Å; I480-L484 WeakPolarHBondContact O-CB 3.32Å; I480-L484 VanDerWaalsContact O-CG 3.29Å; I480-L484 WeakPolarHBondContact O-CG 3.41Å; I480-L484 PolarHBondContact O-N 2.79Å; I480-I502 HydrophobicContact CG2-CD1 4.38Å
481K80.7Confident73Confident39 Ų3937.2 Ų37.217%0.1717%0.168CC..Hα-helixtrans-55.7-43.5174.1-166.2-173.9175.7-1780111.4L477 Y478 L484 I485 E519 I523L477-K481 VanDerWaalsContact O-CB 3.29Å; L477-K481 WeakPolarHBondContact O-CB 3.4Å; L477-K481 PolarHBondContact O-N 2.67Å; Y478-K481 HydrophobicContact CD1-CD 4.48Å; Y478-K481 PolarHBondContact O-N 3.38Å; K481-L484 PolarHBondContact O-N 2.83Å; K481-I485 HydrophobicContact CD-CD1 4.45Å; K481-I485 HydrophobicContact CG-CD1 3.93Å; K481-I485 WeakPolarHBondContact O-CB 3.17Å; K481-I485 WeakPolarHBondContact O-CD1 3.44Å; K481-I485 WeakPolarHBondContact O-CG1 3.21Å; K481-I485 PolarHBondContact O-N 3.3Å; K481-E519 HydrophobicContact CD-CB 4.43Å; K481-E519 IonicContact NZ-OE2 2.64Å; K481-E519 PolarHBondContact NZ-OE2 3.49Å; K481-I523 HydrophobicContact CD-CD1 4.21Å; K481-I523 HydrophobicContact CG-CD1 3.6Å
482F77Confident72Confident11 Ų1139.7 Ų39.75%0.04819%0.186CC..Hα-helixtrans-64.4-43.8176.7179.3-109.8000112.7H440 L443 Y478 C479 I480 I485 N486 I581H440-F482 HydrophobicContact CB-CD1 4.46Å; H440-F482 HydrophobicContact CB-CD2 4.28Å; H440-F482 HydrophobicContact CB-CE1 3.89Å; H440-F482 HydrophobicContact CB-CE2 3.7Å; H440-F482 HydrophobicContact CB-CZ 3.44Å; H440-F482 VanDerWaalsContact CB-CZ 3.44Å; H440-F482 AromaticContact CD2-CD2 3.98Å; H440-F482 AromaticContact CD2-CG 3.93Å; H440-F482 AromaticContact CE1-CD2 3.63Å; H440-F482 AromaticContact CG-CD2 3.64Å; H440-F482 AromaticContact CG-CE2 3.52Å; H440-F482 AromaticContact CG-CG 3.98Å; H440-F482 AromaticContact CG-CZ 3.75Å; H440-F482 AromaticContact ND1-CD2 3.4Å; H440-F482 WeakPolarHBondContact ND1-CD2 3.47Å; H440-F482 AromaticContact ND1-CE2 3.39Å; H440-F482 WeakPolarHBondContact ND1-CE2 3.45Å; H440-F482 VanDerWaalsContact O-CE1 3.23Å; H440-F482 WeakPolarHBondContact O-CE1 3.36Å; H440-F482 VanDerWaalsContact O-CZ 3.27Å; H440-F482 WeakPolarHBondContact O-CZ 3.08Å; L443-F482 HydrophobicContact CB-CD1 3.83Å; L443-F482 HydrophobicContact CB-CE1 3.7Å; L443-F482 HydrophobicContact CD1-CD1 3.95Å; Y478-F482 WeakPolarHBondContact O-CB 3.34Å; Y478-F482 PolarHBondContact O-N 2.78Å; C479-F482 WeakPolarHBondContact O-CB 3.24Å; C479-F482 PolarHBondContact O-N 3.46Å; I480-F482 VanDerWaalsContact C-N 3.27Å; I480-F482 PolarHBondContact O-N 2.82Å; F482-I485 PolarHBondContact O-N 3.08Å; F482-N486 WeakPolarHBondContact CE1-ND2 3.44Å; F482-N486 WeakPolarHBondContact CE2-ND2 3.43Å; F482-N486 WeakPolarHBondContact CE2-OD1 3.32Å; F482-N486 WeakPolarHBondContact CZ-ND2 3.29Å; F482-N486 PolarHBondContact O-N 3.01Å; F482-N486 PolarHBondContact O-OD1 2.9Å; F482-I581 HydrophobicContact CE2-CD1 3.68Å; F482-I581 HydrophobicContact CZ-CD1 4.27Å; F482-I581 HydrophobicContact CZ-CG2 4.33Å
483I77.4Confident71.2Confident3 Ų340.3 Ų40.32%0.01519%0.189CC..Hα-helixtrans-61.9-44.8174.8-71.1170.1000110.9L443 A452 L455 L459 C479 I480 I485 N486 N487L443-I483 HydrophobicContact CD2-CD1 4.42Å; A452-I483 HydrophobicContact CB-CG2 4.14Å; L455-I483 HydrophobicContact CB-CD1 3.98Å; L459-I483 HydrophobicContact CD1-CD1 3.39Å; C479-I483 WeakPolarHBondContact O-CG1 3.21Å; C479-I483 PolarHBondContact O-N 3.16Å; I480-I483 PolarHBondContact O-N 3.37Å; I483-I485 VanDerWaalsContact C-N 3.32Å; I483-I485 PolarHBondContact O-N 3.16Å; I483-N486 PolarHBondContact O-N 3.21Å; I483-N487 WeakPolarHBondContact CG2-ND2 3.31Å; I483-N487 WeakPolarHBondContact O-CB 3.4Å; I483-N487 PolarHBondContact O-N 3.25Å; I483-N487 VanDerWaalsContact O-N 3.12Å; I483-N487 PolarHBondContact O-ND2 2.8Å
484L75.9Confident70.6Confident1 Ų141.7 Ų41.71%0.00520%0.198CC..Hα-helixtrans-64.2-35177.2-69172.6000112.6I480 K481 M498 I502 C520 I523 L524 L527I480-L484 HydrophobicContact CG2-CD1 3.91Å; I480-L484 HydrophobicContact CG2-CG 4.29Å; I480-L484 WeakPolarHBondContact O-CB 3.32Å; I480-L484 VanDerWaalsContact O-CG 3.29Å; I480-L484 WeakPolarHBondContact O-CG 3.41Å; I480-L484 PolarHBondContact O-N 2.79Å; K481-L484 PolarHBondContact O-N 2.83Å; L484-M498 HydrophobicContact CD2-SD 3.99Å; L484-I502 HydrophobicContact CD1-CD1 4.29Å; L484-C520 HydrophobicContact CD1-CB 3.93Å; L484-I523 HydrophobicContact CB-CG2 3.75Å; L484-L524 HydrophobicContact CD1-CD1 4.24Å; L484-L524 HydrophobicContact CD1-CG 4.02Å; L484-L524 HydrophobicContact CD2-CD1 4.37Å; L484-L524 HydrophobicContact CD2-CD2 3.62Å; L484-L524 HydrophobicContact CD2-CG 3.8Å; L484-L527 VanDerWaalsContact O-CD1 3.26Å; L484-L527 WeakPolarHBondContact O-CD1 3.08Å
485I71.7Confident69.9Low34 Ų3443.2 Ų43.217%0.17421%0.206CC..Hα-helixtrans-69.6-45.5176.2-77.6164.8000111.7K481 F482 I483 I523 L574 V578K481-I485 HydrophobicContact CD-CD1 4.45Å; K481-I485 HydrophobicContact CG-CD1 3.93Å; K481-I485 WeakPolarHBondContact O-CB 3.17Å; K481-I485 WeakPolarHBondContact O-CD1 3.44Å; K481-I485 WeakPolarHBondContact O-CG1 3.21Å; K481-I485 PolarHBondContact O-N 3.3Å; F482-I485 PolarHBondContact O-N 3.08Å; I483-I485 VanDerWaalsContact C-N 3.32Å; I483-I485 PolarHBondContact O-N 3.16Å; I485-I523 HydrophobicContact CD1-CD1 4.1Å; I485-I523 HydrophobicContact CG1-CD1 4.02Å; I485-I523 HydrophobicContact CG1-CG2 4.49Å; I485-L574 HydrophobicContact CD1-CD2 3.7Å; I485-L574 HydrophobicContact CG1-CD2 3.96Å; I485-L574 HydrophobicContact CG2-CD2 3.82Å; I485-V578 HydrophobicContact CG2-CG2 3.64Å; I485-V578 WeakPolarHBondContact O-CG2 3.21Å
486N64.1Low69.4Low21 Ų2147 Ų4711%0.11222%0.224CC..Hα-helixtrans-72.8-29.1-176.3-70.1-0.4000113.4L447 F482 I483 Q488 V578L447-N486 HydrophobicContact CD1-CB 3.98Å; F482-N486 WeakPolarHBondContact CE1-ND2 3.44Å; F482-N486 WeakPolarHBondContact CE2-ND2 3.43Å; F482-N486 WeakPolarHBondContact CE2-OD1 3.32Å; F482-N486 WeakPolarHBondContact CZ-ND2 3.29Å; F482-N486 PolarHBondContact O-N 3.01Å; F482-N486 PolarHBondContact O-OD1 2.9Å; I483-N486 PolarHBondContact O-N 3.21Å; N486-Q488 PolarHBondContact O-N 3.43Å; N486-V578 HydrophobicContact CB-CG1 4.38Å
487N59.7Low68.9Low20 Ų2052 Ų5211%0.10725%0.246CC..  trans-78.587.3-175.2-82.7-69.4000112.3L447 A452 I483 F489 M493L447-N487 WeakPolarHBondContact CD2-ND2 3.15Å; A452-N487 WeakPolarHBondContact CB-ND2 3.41Å; I483-N487 WeakPolarHBondContact CG2-ND2 3.31Å; I483-N487 WeakPolarHBondContact O-CB 3.4Å; I483-N487 PolarHBondContact O-N 3.25Å; I483-N487 VanDerWaalsContact O-N 3.12Å; I483-N487 PolarHBondContact O-ND2 2.8Å; N487-F489 WeakPolarHBondContact O-CD2 3.38Å; N487-F489 WeakPolarHBondContact O-CE2 3.45Å; N487-F489 PolarHBondContact O-N 3.02Å; N487-M493 HydrophobicContact CB-CE 4.34Å
488Q54.8Low68.5Low82 Ų8252.1 Ų52.138%0.38325%0.246SC..  trans-68.577.8156.8-67.1-171.5-1100109.9N486 K490 V575 M957N486-Q488 PolarHBondContact O-N 3.43Å; Q488-K490 PolarHBondContact O-N 3.13Å; Q488-V575 VanDerWaalsContact NE2-CG1 3.35Å; Q488-M957 VanDerWaalsContact OE1-CG 3.28Å
489F49Very low68.1Low64 Ų6449.5 Ų49.528%0.28124%0.237SC..SBendtrans-1085.4178.9-74.6-101.4000116.9N487 M493 L527 Y528N487-F489 WeakPolarHBondContact O-CD2 3.38Å; N487-F489 WeakPolarHBondContact O-CE2 3.45Å; N487-F489 PolarHBondContact O-N 3.02Å; F489-M493 HydrophobicContact CD1-CE 4.3Å; F489-M493 HydrophobicContact CE1-CE 3.44Å; F489-M493 VanDerWaalsContact CE1-CE 3.44Å; F489-M493 HydrophobicContact CE2-CE 4.09Å; F489-M493 HydrophobicContact CZ-CE 3.31Å; F489-L527 HydrophobicContact CD2-CB 4.11Å; F489-L527 HydrophobicContact CD2-CD2 4.24Å; F489-L527 HydrophobicContact CE2-CB 3.52Å; F489-L527 HydrophobicContact CE2-CD1 3.86Å; F489-L527 HydrophobicContact CE2-CD2 4.06Å; F489-L527 HydrophobicContact CE2-CG 3.98Å; F489-L527 HydrophobicContact CZ-CB 4.2Å; F489-Y528 HydrophobicContact CD1-CE2 4.33Å; F489-Y528 HydrophobicContact CE1-CD2 4.46Å; F489-Y528 AromaticContact CE1-CE2 3.6Å; F489-Y528 HydrophobicContact CE1-CE2 3.6Å; F489-Y528 HydrophobicContact CZ-CE2 4.05Å
490K51.9Low67.8Low204 Ų20454.6 Ų54.689%0.88726%0.261SS*.  trans-115.33.9163-75.5-175.9177.9178.10113.2Q488Q488-K490 PolarHBondContact O-N 3.13Å
491Q52.6Low67.5Low64 Ų6455.6 Ų55.630%0.29927%0.267SS..SBendtrans-126.9143.6-176.5-65.4178.8-6.500110.2M493Q491-M493 PolarHBondContact O-N 3.04Å
492N54.4Low67.3Low172 Ų17253.8 Ų53.892%0.9226%0.26SS*.  trans-73.690175.7-69.2-19.3000109.8
493M62.5Low67.5Low14 Ų1453.5 Ų53.57%0.06926%0.259CS..  trans-87.4138.6171.7-67.4-161.3-70.700111.9A452 D453 N487 F489 Q491 I495 M498A452-M493 HydrophobicContact CB-CG 4Å; A452-M493 HydrophobicContact CB-SD 3.41Å; A452-M493 WeakPolarHBondContact CB-SD 3.27Å; D453-M493 WeakPolarHBondContact OD1-CA 3.47Å; D453-M493 WeakPolarHBondContact OD1-CB 2.98Å; D453-M493 VanDerWaalsContact OD1-CG 3.3Å; D453-M493 WeakPolarHBondContact OD1-CG 3.17Å; N487-M493 HydrophobicContact CB-CE 4.34Å; F489-M493 HydrophobicContact CD1-CE 4.3Å; F489-M493 HydrophobicContact CE1-CE 3.44Å; F489-M493 VanDerWaalsContact CE1-CE 3.44Å; F489-M493 HydrophobicContact CE2-CE 4.09Å; F489-M493 HydrophobicContact CZ-CE 3.31Å; Q491-M493 PolarHBondContact O-N 3.04Å; M493-I495 PolarHBondContact O-N 3.38Å; M493-M498 HydrophobicContact CB-CE 3.53Å; M493-M498 HydrophobicContact CE-CE 4Å; M493-M498 HydrophobicContact CE-SD 4.28Å; M493-M498 HydrophobicContact CG-CE 4.41Å; M493-M498 HydrophobicContact SD-CE 4.06Å; M493-M498 HydrophobicContact SD-SD 4.04Å
494D70.7Confident67.7Low51 Ų5157.8 Ų57.827%0.27328%0.279SS..  trans-7492.8174.8-167.8-34.4000111.9D453 M496 K497 M498D453-D494 PolarHBondContact OD1-N 3.48Å; D453-D494 PolarHBondContact OD2-N 3.35Å; D494-M496 PolarHBondContact O-N 3.03Å; D494-M496 WeakPolarHBondContact OD1-CA 3.5Å; D494-M496 WeakPolarHBondContact OD1-CB 3.08Å; D494-M496 PolarHBondContact OD1-N 3.36Å; D494-K497 HydrophobicContact CB-CB 4.09Å; D494-K497 HydrophobicContact CB-CD 4.07Å; D494-K497 HydrophobicContact CB-CG 4.1Å; D494-K497 PolarHBondContact O-N 2.85Å; D494-K497 PolarHBondContact OD1-N 3.5Å; D494-K497 WeakPolarHBondContact OD2-CG 3.41Å; D494-K497 IonicContact OD2-NZ 2.67Å; D494-K497 PolarHBondContact OD2-NZ 2.82Å; D494-M498 PolarHBondContact O-N 2.86Å
495I68.5Low67.8Low54 Ų5457.7 Ų57.728%0.27728%0.278SS..Hα-helixtrans-54.5-36.7177.1-27.3166.4000112M493 I499 Y528M493-I495 PolarHBondContact O-N 3.38Å; I495-I499 HydrophobicContact CG2-CD1 3.85Å; I495-I499 HydrophobicContact CG2-CG1 4.38Å; I495-I499 WeakPolarHBondContact O-CB 3.3Å; I495-I499 VanDerWaalsContact O-CG1 3.24Å; I495-I499 WeakPolarHBondContact O-CG1 3.14Å; I495-I499 PolarHBondContact O-N 3.02Å; I495-Y528 HydrophobicContact CD1-CD1 4.38Å; I495-Y528 HydrophobicContact CD1-CE1 3.56Å; I495-Y528 HydrophobicContact CD1-CE2 3.96Å; I495-Y528 VanDerWaalsContact CD1-OH 3.31Å; I495-Y528 WeakPolarHBondContact CD1-OH 3.27Å; I495-Y528 HydrophobicContact CG1-CE1 4.39Å; I495-Y528 HydrophobicContact CG1-CE2 3.94Å; I495-Y528 WeakPolarHBondContact CG1-OH 2.93Å; I495-Y528 HydrophobicContact CG2-CD2 4.36Å; I495-Y528 HydrophobicContact CG2-CE2 4.03Å
496M70Confident68.3Low87 Ų8756.1 Ų56.143%0.42927%0.27SS..Hα-helixtrans-72.5-43.8-175.6-74.8-60.7-59.400110.7D494 I499 Q500 L539D494-M496 PolarHBondContact O-N 3.03Å; D494-M496 WeakPolarHBondContact OD1-CA 3.5Å; D494-M496 WeakPolarHBondContact OD1-CB 3.08Å; D494-M496 PolarHBondContact OD1-N 3.36Å; M496-I499 PolarHBondContact O-N 3.1Å; M496-Q500 WeakPolarHBondContact O-CB 3.42Å; M496-Q500 WeakPolarHBondContact O-CG 3.41Å; M496-Q500 PolarHBondContact O-N 3.37Å; M496-L539 HydrophobicContact CE-CD1 3.99Å; M496-L539 HydrophobicContact CE-CD2 4.15Å; M496-L539 HydrophobicContact SD-CD1 3.68Å; M496-L539 HydrophobicContact SD-CD2 4.28Å
497K75Confident69.1Low104 Ų10458.4 Ų58.445%0.45228%0.279SS..Hα-helixtrans-58.8-48.9171-70.7-175.5-174.192.10111.1D494 I499 Q500 C501D494-K497 HydrophobicContact CB-CB 4.09Å; D494-K497 HydrophobicContact CB-CD 4.07Å; D494-K497 HydrophobicContact CB-CG 4.1Å; D494-K497 PolarHBondContact O-N 2.85Å; D494-K497 PolarHBondContact OD1-N 3.5Å; D494-K497 WeakPolarHBondContact OD2-CG 3.41Å; D494-K497 IonicContact OD2-NZ 2.67Å; D494-K497 PolarHBondContact OD2-NZ 2.82Å; K497-I499 PolarHBondContact O-N 2.82Å; K497-Q500 PolarHBondContact O-N 3.47Å; K497-C501 WeakPolarHBondContact O-CB 3.47Å; K497-C501 PolarHBondContact O-N 3.11Å; K497-C501 PolarHBondContact O-SG 3.19Å
498M75.2Confident70.1Confident3 Ų358.5 Ų58.52%0.01528%0.279CS..Hα-helixtrans-60.7-43.7178.9-77.5-172.1-68.500112.8F456 L484 M493 D494 C501 I502 L524F456-M498 HydrophobicContact CD1-CG 4.4Å; F456-M498 HydrophobicContact CD2-CG 4.22Å; F456-M498 HydrophobicContact CE1-CG 4.19Å; F456-M498 HydrophobicContact CE2-CG 3.99Å; F456-M498 HydrophobicContact CG-CG 4.43Å; F456-M498 HydrophobicContact CZ-CG 3.98Å; L484-M498 HydrophobicContact CD2-SD 3.99Å; M493-M498 HydrophobicContact CB-CE 3.53Å; M493-M498 HydrophobicContact CE-CE 4Å; M493-M498 HydrophobicContact CE-SD 4.28Å; M493-M498 HydrophobicContact CG-CE 4.41Å; M493-M498 HydrophobicContact SD-CE 4.06Å; M493-M498 HydrophobicContact SD-SD 4.04Å; D494-M498 PolarHBondContact O-N 2.86Å; M498-C501 PolarHBondContact O-N 3.12Å; M498-I502 VanDerWaalsContact O-CB 3.25Å; M498-I502 WeakPolarHBondContact O-CB 3.35Å; M498-I502 VanDerWaalsContact O-CG1 3.25Å; M498-I502 WeakPolarHBondContact O-CG1 3.37Å; M498-I502 PolarHBondContact O-N 2.93Å; M498-L524 HydrophobicContact CB-CD1 4.43Å; M498-L524 HydrophobicContact CE-CD2 4.19Å; M498-L524 HydrophobicContact SD-CD2 4.34Å
499I74.6Confident71.2Confident11 Ų1163.4 Ų63.46%0.05630%0.302CS..Hα-helixtrans-66.4-42.2177-66.8164.7000110.9I495 M496 K497 C501 V503 I536 L539 I540I495-I499 HydrophobicContact CG2-CD1 3.85Å; I495-I499 HydrophobicContact CG2-CG1 4.38Å; I495-I499 WeakPolarHBondContact O-CB 3.3Å; I495-I499 VanDerWaalsContact O-CG1 3.24Å; I495-I499 WeakPolarHBondContact O-CG1 3.14Å; I495-I499 PolarHBondContact O-N 3.02Å; M496-I499 PolarHBondContact O-N 3.1Å; K497-I499 PolarHBondContact O-N 2.82Å; I499-C501 PolarHBondContact O-N 3.3Å; I499-V503 HydrophobicContact CG2-CG2 4.02Å; I499-V503 VanDerWaalsContact O-CB 3.23Å; I499-V503 WeakPolarHBondContact O-CB 3.19Å; I499-V503 WeakPolarHBondContact O-CG2 3.27Å; I499-V503 PolarHBondContact O-N 3Å; I499-I536 HydrophobicContact CD1-CG2 3.96Å; I499-L539 HydrophobicContact CB-CD2 4.44Å; I499-L539 HydrophobicContact CD1-CD2 4.48Å; I499-L539 HydrophobicContact CG2-CD2 3.64Å; I499-I540 HydrophobicContact CG2-CG1 3.99Å
500Q75.7Confident72.8Confident107 Ų10762.3 Ų62.350%0.530%0.299SS..Hα-helixtrans-59-47.5176.6-76.3170.1-11.500111.6M496 K497M496-Q500 WeakPolarHBondContact O-CB 3.42Å; M496-Q500 WeakPolarHBondContact O-CG 3.41Å; M496-Q500 PolarHBondContact O-N 3.37Å; K497-Q500 PolarHBondContact O-N 3.47Å
501C76.4Confident74.2Confident21 Ų2160.6 Ų60.614%0.14229%0.292CS..Hα-helixtrans-61.5-55.2176.5-68.50000111.6F456 W460 K497 M498 I499 V503 Q504F456-C501 HydrophobicContact CE1-CB 4.17Å; F456-C501 HydrophobicContact CZ-CB 3.74Å; W460-C501 HydrophobicContact CD2-CB 3.72Å; W460-C501 HydrophobicContact CE3-CB 3.81Å; W460-C501 VanDerWaalsContact CH2-C 3.4Å; W460-C501 HydrophobicContact CH2-CB 3.71Å; W460-C501 WeakPolarHBondContact CH2-O 3.43Å; W460-C501 HydrophobicContact CZ2-CB 3.57Å; W460-C501 VanDerWaalsContact CZ2-O 3.31Å; W460-C501 WeakPolarHBondContact CZ2-O 3.23Å; W460-C501 HydrophobicContact CZ3-CB 3.81Å; K497-C501 WeakPolarHBondContact O-CB 3.47Å; K497-C501 PolarHBondContact O-N 3.11Å; K497-C501 PolarHBondContact O-SG 3.19Å; M498-C501 PolarHBondContact O-N 3.12Å; I499-C501 PolarHBondContact O-N 3.3Å; C501-V503 VanDerWaalsContact C-N 3.26Å; C501-V503 PolarHBondContact O-N 3.09Å; C501-Q504 WeakPolarHBondContact O-CB 3.46Å; C501-Q504 PolarHBondContact O-N 3.45Å
502I76.5Confident75.5Confident2 Ų262.8 Ų62.81%0.0130%0.304CS..Hα-helixtrans-66-29.4-176.1-68.3168.2000111.2I480 L484 M498 Q504 G505 L506 T517 C520 C521 L524I480-I502 HydrophobicContact CG2-CD1 4.38Å; L484-I502 HydrophobicContact CD1-CD1 4.29Å; M498-I502 VanDerWaalsContact O-CB 3.25Å; M498-I502 WeakPolarHBondContact O-CB 3.35Å; M498-I502 VanDerWaalsContact O-CG1 3.25Å; M498-I502 WeakPolarHBondContact O-CG1 3.37Å; M498-I502 PolarHBondContact O-N 2.93Å; I502-Q504 PolarHBondContact O-N 3.25Å; I502-G505 PolarHBondContact O-N 2.95Å; I502-L506 PolarHBondContact O-N 3.21Å; I502-T517 HydrophobicContact CB-CG2 4.49Å; I502-T517 HydrophobicContact CG2-CG2 3.5Å; I502-T517 WeakPolarHBondContact O-CG2 3.36Å; I502-C520 HydrophobicContact CD1-CB 4.25Å; I502-C520 HydrophobicContact CG2-CB 4.3Å; I502-C521 WeakPolarHBondContact CG2-SG 3.42Å; I502-L524 HydrophobicContact CD1-CD1 3.44Å; I502-L524 VanDerWaalsContact CD1-CD1 3.44Å
503V80.1Confident76.8Confident4 Ų454.6 Ų54.62%0.02426%0.26CS..Hα-helixtrans-62.6-25.5170.6163.60000112.9I499 C501 G505 L506 K507 I540 N543 L544I499-V503 HydrophobicContact CG2-CG2 4.02Å; I499-V503 VanDerWaalsContact O-CB 3.23Å; I499-V503 WeakPolarHBondContact O-CB 3.19Å; I499-V503 WeakPolarHBondContact O-CG2 3.27Å; I499-V503 PolarHBondContact O-N 3Å; C501-V503 VanDerWaalsContact C-N 3.26Å; C501-V503 PolarHBondContact O-N 3.09Å; V503-G505 VanDerWaalsContact C-N 3.33Å; V503-L506 HydrophobicContact CG2-CD1 4.35Å; V503-L506 PolarHBondContact O-N 3.09Å; V503-K507 HydrophobicContact CG1-CD 4.48Å; V503-K507 WeakPolarHBondContact O-CG 3.29Å; V503-I540 HydrophobicContact CG2-CG1 4.21Å; V503-I540 HydrophobicContact CG2-CG2 4.36Å; V503-N543 HydrophobicContact CG1-CB 3.81Å; V503-N543 HydrophobicContact CG2-CB 4.36Å; V503-L544 HydrophobicContact CG1-CD2 4.06Å; V503-L544 HydrophobicContact CG1-CG 4.41Å
504Q81.9Confident77.9Confident93 Ų9355 Ų5544%0.43526%0.262SS..Hα-helixtrans-65-36.5171.5-58.5-179.3-9.300111.9C501 I502 L506 K507C501-Q504 WeakPolarHBondContact O-CB 3.46Å; C501-Q504 PolarHBondContact O-N 3.45Å; I502-Q504 PolarHBondContact O-N 3.25Å; Q504-L506 VanDerWaalsContact C-N 3.32Å; Q504-L506 PolarHBondContact O-N 3.43Å; Q504-K507 PolarHBondContact O-N 3.47Å
505G79.5Confident78.4Confident0 Ų054.4 Ų54.40%026%0.262CS..Hα-helixtrans-72.9-19.3175.500000114.7Y463 I502 V503 D508 T517Y463-G505 VanDerWaalsContact OH-CA 3.31Å; Y463-G505 WeakPolarHBondContact OH-CA 3.37Å; I502-G505 PolarHBondContact O-N 2.95Å; V503-G505 VanDerWaalsContact C-N 3.33Å; G505-D508 WeakPolarHBondContact O-CB 3.36Å; G505-T517 WeakPolarHBondContact CA-OG1 3.45Å; G505-T517 PolarHBondContact O-OG1 3.34Å
506L81.8Confident79Confident0 Ų052 Ų520%025%0.25CC..Hα-helixtrans-75.9-28.9175.4-68.3-178.2000112I502 V503 Q504 D508 Q514 T517 I518 I540 L544I502-L506 PolarHBondContact O-N 3.21Å; V503-L506 HydrophobicContact CG2-CD1 4.35Å; V503-L506 PolarHBondContact O-N 3.09Å; Q504-L506 VanDerWaalsContact C-N 3.32Å; Q504-L506 PolarHBondContact O-N 3.43Å; L506-D508 PolarHBondContact O-N 3.44Å; L506-Q514 PolarHBondContact O-NE2 2.96Å; L506-T517 HydrophobicContact CD2-CG2 3.7Å; L506-T517 HydrophobicContact CG-CG2 3.8Å; L506-I518 HydrophobicContact CD2-CG1 3.59Å; L506-I540 HydrophobicContact CD1-CG2 3.73Å; L506-L544 HydrophobicContact CB-CD2 4.26Å; L506-L544 HydrophobicContact CD1-CD1 4.11Å
507K80.6Confident79.7Confident69 Ų6947.9 Ų47.930%0.323%0.229SC..THydrogen-bonded Turntrans-76.7-6.7179-65.1167.5-177.7-1750113V503 Q504 N543 L544 Q547V503-K507 HydrophobicContact CG1-CD 4.48Å; V503-K507 WeakPolarHBondContact O-CG 3.29Å; Q504-K507 PolarHBondContact O-N 3.47Å; K507-N543 VanDerWaalsContact CE-O 3.26Å; K507-N543 WeakPolarHBondContact CE-O 3.34Å; K507-N543 PolarHBondContact NZ-O 3.4Å; K507-L544 HydrophobicContact CD-CD2 4.34Å; K507-L544 HydrophobicContact CG-CD2 3.65Å; K507-Q547 VanDerWaalsContact CD-OE1 3.28Å
508D81.2Confident80.1Confident22 Ų2243 Ų4312%0.11821%0.208CC..  trans-70.7139.8-174.4-150.4-68000112.7R473 G505 L506 N510 I513 Q514R473-D508 IonicContact CZ-OD2 2.61Å; R473-D508 IonicContact NH1-OD1 3.78Å; R473-D508 IonicContact NH1-OD2 3.76Å; R473-D508 PolarHBondContact NH1-OD2 3.44Å; R473-D508 IonicContact NH2-OD2 2.72Å; R473-D508 PolarHBondContact NH2-OD2 3.15Å; G505-D508 WeakPolarHBondContact O-CB 3.36Å; L506-D508 PolarHBondContact O-N 3.44Å; D508-N510 VanDerWaalsContact C-N 3.33Å; D508-N510 WeakPolarHBondContact OD1-CA 3.22Å; D508-N510 WeakPolarHBondContact OD1-CB 3.44Å; D508-N510 PolarHBondContact OD1-N 2.95Å; D508-I513 HydrophobicContact CB-CB 4.06Å; D508-I513 HydrophobicContact CB-CG2 3.62Å; D508-Q514 PolarHBondContact O-NE2 3.13Å
509Q76.8Confident80.5Confident185 Ų18544.4 Ų44.486%0.86421%0.214SC*.SBendtrans-73.1-29174.4-60.4-174.82.600111.4K511Q509-K511 PolarHBondContact O-N 2.88Å; Q509-K511 VanDerWaalsContact O-N 3.14Å
510N82.6Confident80.8Confident41 Ų4143.9 Ų43.922%0.21921%0.212CC..  trans-69.4109175.2-171.9-32.2000110.2D470 D508 M512 I513 Q514D470-N510 PolarHBondContact OD2-ND2 3.12Å; D508-N510 VanDerWaalsContact C-N 3.33Å; D508-N510 WeakPolarHBondContact OD1-CA 3.22Å; D508-N510 WeakPolarHBondContact OD1-CB 3.44Å; D508-N510 PolarHBondContact OD1-N 2.95Å; N510-M512 PolarHBondContact O-N 2.88Å; N510-M512 VanDerWaalsContact OD1-CB 3.29Å; N510-M512 WeakPolarHBondContact OD1-CB 3.4Å; N510-M512 PolarHBondContact OD1-N 3.35Å; N510-I513 HydrophobicContact CB-CB 4.22Å; N510-I513 HydrophobicContact CB-CD1 4.08Å; N510-I513 HydrophobicContact CB-CG1 4.15Å; N510-I513 PolarHBondContact O-N 2.98Å; N510-I513 VanDerWaalsContact O-N 3.11Å; N510-Q514 PolarHBondContact O-N 2.83Å
511K81.9Confident81.1Confident169 Ų16939 Ų3974%0.73519%0.19SC*.Hα-helixtrans-57-23.8-179.6-66168.1-175.6165.70113.4Q509 S515Q509-K511 PolarHBondContact O-N 2.88Å; Q509-K511 VanDerWaalsContact O-N 3.14Å; K511-S515 VanDerWaalsContact O-CB 3.28Å; K511-S515 WeakPolarHBondContact O-CB 3.28Å; K511-S515 PolarHBondContact O-N 2.78Å
512M79.5Confident81.1Confident110 Ų11038 Ų3854%0.54218%0.183SC..Hα-helixtrans-77.7-48.4175.6-61.3-66.6-80.400111.5I474 N510 Q514 S515 V516I474-M512 HydrophobicContact CD1-CB 3.77Å; I474-M512 HydrophobicContact CG1-CB 4.43Å; N510-M512 PolarHBondContact O-N 2.88Å; N510-M512 VanDerWaalsContact OD1-CB 3.29Å; N510-M512 WeakPolarHBondContact OD1-CB 3.4Å; N510-M512 PolarHBondContact OD1-N 3.35Å; M512-Q514 VanDerWaalsContact C-N 3.32Å; M512-Q514 PolarHBondContact O-N 3Å; M512-S515 PolarHBondContact O-N 3.25Å; M512-V516 PolarHBondContact O-N 3.34Å
513I83Confident81.1Confident0 Ų038.2 Ų38.20%018%0.184CC..Hα-helixtrans-56.5-49.9173.7-68.5179000109.6D470 R473 I474 L477 D508 N510 S515 V516 T517D470-I513 HydrophobicContact CB-CD1 4.02Å; D470-I513 VanDerWaalsContact OD1-CD1 3.25Å; D470-I513 WeakPolarHBondContact OD1-CD1 3.14Å; R473-I513 HydrophobicContact CB-CD1 3.84Å; I474-I513 HydrophobicContact CD1-CG1 4.18Å; I474-I513 HydrophobicContact CG1-CD1 4.36Å; I474-I513 HydrophobicContact CG1-CG1 3.47Å; I474-I513 VanDerWaalsContact CG1-CG1 3.47Å; L477-I513 HydrophobicContact CD1-CB 4.49Å; L477-I513 HydrophobicContact CD1-CG2 3.76Å; D508-I513 HydrophobicContact CB-CB 4.06Å; D508-I513 HydrophobicContact CB-CG2 3.62Å; N510-I513 HydrophobicContact CB-CB 4.22Å; N510-I513 HydrophobicContact CB-CD1 4.08Å; N510-I513 HydrophobicContact CB-CG1 4.15Å; N510-I513 PolarHBondContact O-N 2.98Å; N510-I513 VanDerWaalsContact O-N 3.11Å; I513-S515 VanDerWaalsContact C-N 3.27Å; I513-S515 PolarHBondContact O-N 2.97Å; I513-V516 PolarHBondContact O-N 3.23Å; I513-T517 VanDerWaalsContact O-CB 3.29Å; I513-T517 WeakPolarHBondContact O-CB 3.39Å; I513-T517 PolarHBondContact O-N 2.67Å; I513-T517 PolarHBondContact O-OG1 3.12Å
514Q83.8Confident80.9Confident22 Ų2238.4 Ų38.410%0.10318%0.184CC..Hα-helixtrans-59.4-35.6175.9-168.2-172.896.100112.2L506 D508 N510 M512 I518 L556L506-Q514 PolarHBondContact O-NE2 2.96Å; D508-Q514 PolarHBondContact O-NE2 3.13Å; N510-Q514 PolarHBondContact O-N 2.83Å; M512-Q514 VanDerWaalsContact C-N 3.32Å; M512-Q514 PolarHBondContact O-N 3Å; Q514-I518 HydrophobicContact CG-CD1 4.12Å; Q514-I518 WeakPolarHBondContact O-CB 3.42Å; Q514-I518 VanDerWaalsContact O-CD1 3.31Å; Q514-I518 WeakPolarHBondContact O-CD1 3.16Å; Q514-I518 WeakPolarHBondContact O-CG1 3.46Å; Q514-I518 PolarHBondContact O-N 2.86Å; Q514-L556 VanDerWaalsContact CD-CD2 3.49Å; Q514-L556 HydrophobicContact CG-CD2 3.85Å
515S82.4Confident80.6Confident39 Ų3934 Ų3427%0.27316%0.164SC..Hα-helixtrans-70.9-47.6178.3-164.40000112.9K511 M512 I513 T517 I518 E519K511-S515 VanDerWaalsContact O-CB 3.28Å; K511-S515 WeakPolarHBondContact O-CB 3.28Å; K511-S515 PolarHBondContact O-N 2.78Å; M512-S515 PolarHBondContact O-N 3.25Å; I513-S515 VanDerWaalsContact C-N 3.27Å; I513-S515 PolarHBondContact O-N 2.97Å; S515-T517 VanDerWaalsContact C-N 3.28Å; S515-T517 PolarHBondContact O-N 3.21Å; S515-I518 PolarHBondContact O-N 3.1Å; S515-E519 PolarHBondContact O-N 3.3Å; S515-E519 VanDerWaalsContact O-N 3.14Å
516V81Confident80.2Confident4 Ų434.7 Ų34.72%0.02417%0.168CC..Hα-helixtrans-65.7-36.5177.9-173.80000110.2L477 Y478 M512 I513 I518 E519 C520L477-V516 HydrophobicContact CB-CB 4.25Å; L477-V516 HydrophobicContact CB-CG1 3.73Å; Y478-V516 HydrophobicContact CD1-CG1 3.9Å; Y478-V516 HydrophobicContact CE1-CG1 3.94Å; Y478-V516 HydrophobicContact CE1-CG2 3.81Å; Y478-V516 HydrophobicContact CE2-CG2 4.18Å; Y478-V516 HydrophobicContact CG-CG1 4.38Å; M512-V516 PolarHBondContact O-N 3.34Å; I513-V516 PolarHBondContact O-N 3.23Å; V516-I518 PolarHBondContact O-N 2.93Å; V516-E519 WeakPolarHBondContact O-CB 3.2Å; V516-E519 PolarHBondContact O-N 3.37Å; V516-C520 PolarHBondContact O-N 3.09Å; V516-C520 PolarHBondContact O-SG 3.25Å; V516-C520 VanDerWaalsContact O-SG 3.39Å
517T85.5Confident79.5Confident0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-62.6-42.1174-53.30000112.4L477 I502 G505 L506 I513 S515 E519 C520 C521L477-T517 WeakPolarHBondContact CD1-OG1 3.34Å; I502-T517 HydrophobicContact CB-CG2 4.49Å; I502-T517 HydrophobicContact CG2-CG2 3.5Å; I502-T517 WeakPolarHBondContact O-CG2 3.36Å; G505-T517 WeakPolarHBondContact CA-OG1 3.45Å; G505-T517 PolarHBondContact O-OG1 3.34Å; L506-T517 HydrophobicContact CD2-CG2 3.7Å; L506-T517 HydrophobicContact CG-CG2 3.8Å; I513-T517 VanDerWaalsContact O-CB 3.29Å; I513-T517 WeakPolarHBondContact O-CB 3.39Å; I513-T517 PolarHBondContact O-N 2.67Å; I513-T517 PolarHBondContact O-OG1 3.12Å; S515-T517 VanDerWaalsContact C-N 3.28Å; S515-T517 PolarHBondContact O-N 3.21Å; T517-E519 PolarHBondContact O-N 2.85Å; T517-C520 WeakPolarHBondContact O-CB 3.09Å; T517-C520 PolarHBondContact O-N 3.2Å; T517-C521 PolarHBondContact O-N 3.09Å; T517-C521 PolarHBondContact O-SG 3.12Å
518I83.4Confident78.8Confident0 Ų037 Ų370%018%0.178CC..Hα-helixtrans-61.4-34.9175-76.6166.8000111.8L506 Q514 S515 V516 A522 L556 K559 I560 F563L506-I518 HydrophobicContact CD2-CG1 3.59Å; Q514-I518 HydrophobicContact CG-CD1 4.12Å; Q514-I518 WeakPolarHBondContact O-CB 3.42Å; Q514-I518 VanDerWaalsContact O-CD1 3.31Å; Q514-I518 WeakPolarHBondContact O-CD1 3.16Å; Q514-I518 WeakPolarHBondContact O-CG1 3.46Å; Q514-I518 PolarHBondContact O-N 2.86Å; S515-I518 PolarHBondContact O-N 3.1Å; V516-I518 PolarHBondContact O-N 2.93Å; I518-A522 WeakPolarHBondContact O-CB 3.39Å; I518-A522 PolarHBondContact O-N 3.44Å; I518-L556 HydrophobicContact CD1-CD2 3.79Å; I518-K559 HydrophobicContact CD1-CB 3.88Å; I518-K559 HydrophobicContact CD1-CD 3.32Å; I518-K559 HydrophobicContact CD1-CG 4.28Å; I518-K559 HydrophobicContact CG2-CB 4.12Å; I518-I560 HydrophobicContact CB-CG1 4.43Å; I518-I560 HydrophobicContact CG1-CG1 4.2Å; I518-I560 HydrophobicContact CG2-CG1 3.93Å; I518-F563 HydrophobicContact CG2-CB 4.48Å; I518-F563 HydrophobicContact CG2-CD2 3.41Å; I518-F563 VanDerWaalsContact CG2-CD2 3.41Å; I518-F563 HydrophobicContact CG2-CE2 3.83Å; I518-F563 HydrophobicContact CG2-CG 4.14Å
519E81.8Confident77.6Confident34 Ų3442.2 Ų42.216%0.15921%0.206CC..Hα-helixtrans-67.4-47.2173.2-68.5170.5-166.200110.4K481 S515 V516 T517 C521 A522 I523 F563K481-E519 HydrophobicContact CD-CB 4.43Å; K481-E519 IonicContact NZ-OE2 2.64Å; K481-E519 PolarHBondContact NZ-OE2 3.49Å; S515-E519 PolarHBondContact O-N 3.3Å; S515-E519 VanDerWaalsContact O-N 3.14Å; V516-E519 WeakPolarHBondContact O-CB 3.2Å; V516-E519 PolarHBondContact O-N 3.37Å; T517-E519 PolarHBondContact O-N 2.85Å; E519-C521 VanDerWaalsContact C-N 3.31Å; E519-C521 PolarHBondContact O-N 3.08Å; E519-A522 PolarHBondContact O-N 3.44Å; E519-A522 VanDerWaalsContact O-N 3.11Å; E519-I523 WeakPolarHBondContact O-CB 3.44Å; E519-I523 WeakPolarHBondContact O-CD1 3.31Å; E519-I523 VanDerWaalsContact O-CG1 3.26Å; E519-I523 WeakPolarHBondContact O-CG1 3.34Å; E519-I523 PolarHBondContact O-N 3.27Å; E519-F563 HydrophobicContact CG-CD1 3.69Å; E519-F563 HydrophobicContact CG-CE1 3.38Å; E519-F563 HydrophobicContact CG-CG 4.38Å; E519-F563 HydrophobicContact CG-CZ 3.85Å; E519-F563 WeakPolarHBondContact OE1-CE1 3.2Å; E519-F563 WeakPolarHBondContact OE1-CZ 3.19Å
520C82.3Confident76.4Confident0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-57.1-40.5172.7-63.70000112.9L484 I502 V516 T517 L524L484-C520 HydrophobicContact CD1-CB 3.93Å; I502-C520 HydrophobicContact CD1-CB 4.25Å; I502-C520 HydrophobicContact CG2-CB 4.3Å; V516-C520 PolarHBondContact O-N 3.09Å; V516-C520 PolarHBondContact O-SG 3.25Å; V516-C520 VanDerWaalsContact O-SG 3.39Å; T517-C520 WeakPolarHBondContact O-CB 3.09Å; T517-C520 PolarHBondContact O-N 3.2Å; C520-L524 WeakPolarHBondContact O-CB 3.41Å; C520-L524 PolarHBondContact O-N 3.18Å
521C80.8Confident74.9Confident5 Ų544 Ų443%0.03422%0.219CC..Hα-helixtrans-63-44.6173.1-720000112.8I502 T517 E519 L524 I525 I560I502-C521 WeakPolarHBondContact CG2-SG 3.42Å; T517-C521 PolarHBondContact O-N 3.09Å; T517-C521 PolarHBondContact O-SG 3.12Å; E519-C521 VanDerWaalsContact C-N 3.31Å; E519-C521 PolarHBondContact O-N 3.08Å; C521-L524 PolarHBondContact O-N 3.5Å; C521-I525 WeakPolarHBondContact O-CB 3.45Å; C521-I525 WeakPolarHBondContact O-CD1 3.42Å; C521-I525 VanDerWaalsContact O-CG1 3.22Å; C521-I525 WeakPolarHBondContact O-CG1 2.86Å; C521-I525 PolarHBondContact O-N 3.03Å; C521-I560 HydrophobicContact CB-CD1 4.23Å; C521-I560 HydrophobicContact CB-CG1 4.36Å
522A77.7Confident73.6Confident0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-64.4-44-179.400000111.2I518 E519 I525 I526 F563 I564 E567I518-A522 WeakPolarHBondContact O-CB 3.39Å; I518-A522 PolarHBondContact O-N 3.44Å; E519-A522 PolarHBondContact O-N 3.44Å; E519-A522 VanDerWaalsContact O-N 3.11Å; A522-I525 PolarHBondContact O-N 2.64Å; A522-I526 WeakPolarHBondContact O-CB 3.48Å; A522-I526 VanDerWaalsContact O-CG1 3.28Å; A522-I526 WeakPolarHBondContact O-CG1 2.78Å; A522-I526 PolarHBondContact O-N 3.37Å; A522-F563 HydrophobicContact CB-CB 3.71Å; A522-I564 HydrophobicContact CB-CG1 3.86Å; A522-E567 WeakPolarHBondContact CB-OE2 3.46Å
523I75.3Confident72.7Confident5 Ų534.2 Ų34.23%0.02618%0.179CC..Hα-helixtrans-58.5-51.8174.8-68.6163.2000110.6K481 L484 I485 E519 I525 I526 L527K481-I523 HydrophobicContact CD-CD1 4.21Å; K481-I523 HydrophobicContact CG-CD1 3.6Å; L484-I523 HydrophobicContact CB-CG2 3.75Å; I485-I523 HydrophobicContact CD1-CD1 4.1Å; I485-I523 HydrophobicContact CG1-CD1 4.02Å; I485-I523 HydrophobicContact CG1-CG2 4.49Å; E519-I523 WeakPolarHBondContact O-CB 3.44Å; E519-I523 WeakPolarHBondContact O-CD1 3.31Å; E519-I523 VanDerWaalsContact O-CG1 3.26Å; E519-I523 WeakPolarHBondContact O-CG1 3.34Å; E519-I523 PolarHBondContact O-N 3.27Å; I523-I525 PolarHBondContact O-N 2.75Å; I523-I526 PolarHBondContact O-N 3.24Å; I523-I526 VanDerWaalsContact O-N 3.17Å; I523-L527 HydrophobicContact CG2-CD1 3.45Å; I523-L527 VanDerWaalsContact CG2-CD1 3.45Å; I523-L527 VanDerWaalsContact O-CD1 3.29Å; I523-L527 WeakPolarHBondContact O-CD1 3.28Å; I523-L527 VanDerWaalsContact O-CG 3.28Å; I523-L527 WeakPolarHBondContact O-CG 3.17Å; I523-L527 PolarHBondContact O-N 3.01Å
524L76.2Confident71.9Confident8 Ų836.1 Ų36.14%0.04219%0.188CC..Hα-helixtrans-57.3-43.5176.3-88.2168.9000113.5L484 M498 I502 C520 C521 I526 L527 Y528L484-L524 HydrophobicContact CD1-CD1 4.24Å; L484-L524 HydrophobicContact CD1-CG 4.02Å; L484-L524 HydrophobicContact CD2-CD1 4.37Å; L484-L524 HydrophobicContact CD2-CD2 3.62Å; L484-L524 HydrophobicContact CD2-CG 3.8Å; M498-L524 HydrophobicContact CB-CD1 4.43Å; M498-L524 HydrophobicContact CE-CD2 4.19Å; M498-L524 HydrophobicContact SD-CD2 4.34Å; I502-L524 HydrophobicContact CD1-CD1 3.44Å; I502-L524 VanDerWaalsContact CD1-CD1 3.44Å; C520-L524 WeakPolarHBondContact O-CB 3.41Å; C520-L524 PolarHBondContact O-N 3.18Å; C521-L524 PolarHBondContact O-N 3.5Å; L524-I526 VanDerWaalsContact C-N 3.33Å; L524-I526 PolarHBondContact O-N 3.37Å; L524-L527 PolarHBondContact O-N 2.91Å; L524-Y528 PolarHBondContact O-N 2.82Å
525I75.3Confident71.3Confident2 Ų237.5 Ų37.51%0.0120%0.2CC..Hα-helixtrans-67.8-33.7179.3-67.5161.9000111.4C521 A522 I523 N533 I536 I537 I540 I560 I564C521-I525 WeakPolarHBondContact O-CB 3.45Å; C521-I525 WeakPolarHBondContact O-CD1 3.42Å; C521-I525 VanDerWaalsContact O-CG1 3.22Å; C521-I525 WeakPolarHBondContact O-CG1 2.86Å; C521-I525 PolarHBondContact O-N 3.03Å; A522-I525 PolarHBondContact O-N 2.64Å; I523-I525 PolarHBondContact O-N 2.75Å; I525-N533 WeakPolarHBondContact CG2-OD1 3.46Å; I525-I536 HydrophobicContact CD1-CG2 4.33Å; I525-I536 HydrophobicContact CG1-CB 4.28Å; I525-I536 HydrophobicContact CG1-CG2 3.66Å; I525-I537 HydrophobicContact CD1-CG1 3.92Å; I525-I540 HydrophobicContact CD1-CD1 4.14Å; I525-I560 HydrophobicContact CD1-CG2 3.77Å; I525-I564 HydrophobicContact CB-CD1 4Å; I525-I564 HydrophobicContact CD1-CD1 4.07Å; I525-I564 HydrophobicContact CG2-CD1 3.61Å
526I70.9Confident70.8Confident14 Ų1436.5 Ų36.57%0.07219%0.191CC..Hα-helixtrans-69-43176-74.5166.1000111.4A522 I523 L524 Y528 I564 E567 K568 N571A522-I526 WeakPolarHBondContact O-CB 3.48Å; A522-I526 VanDerWaalsContact O-CG1 3.28Å; A522-I526 WeakPolarHBondContact O-CG1 2.78Å; A522-I526 PolarHBondContact O-N 3.37Å; I523-I526 PolarHBondContact O-N 3.24Å; I523-I526 VanDerWaalsContact O-N 3.17Å; L524-I526 VanDerWaalsContact C-N 3.33Å; L524-I526 PolarHBondContact O-N 3.37Å; I526-Y528 VanDerWaalsContact C-N 3.32Å; I526-Y528 PolarHBondContact O-N 3.15Å; I526-I564 HydrophobicContact CD1-CG2 4.45Å; I526-I564 HydrophobicContact CG1-CG1 4.42Å; I526-I564 HydrophobicContact CG1-CG2 4.12Å; I526-E567 HydrophobicContact CD1-CB 3.34Å; I526-K568 HydrophobicContact CD1-CG 4.48Å; I526-K568 HydrophobicContact CG1-CG 4.43Å; I526-N571 WeakPolarHBondContact CG2-ND2 3.43Å
527L66.7Low70.5Confident47 Ų4736.9 Ų36.925%0.24619%0.193CC..Hα-helixtrans-67.5-32.4-176-68.9155.3000111.9L484 F489 I523 L524 N529L484-L527 VanDerWaalsContact O-CD1 3.26Å; L484-L527 WeakPolarHBondContact O-CD1 3.08Å; F489-L527 HydrophobicContact CD2-CB 4.11Å; F489-L527 HydrophobicContact CD2-CD2 4.24Å; F489-L527 HydrophobicContact CE2-CB 3.52Å; F489-L527 HydrophobicContact CE2-CD1 3.86Å; F489-L527 HydrophobicContact CE2-CD2 4.06Å; F489-L527 HydrophobicContact CE2-CG 3.98Å; F489-L527 HydrophobicContact CZ-CB 4.2Å; I523-L527 HydrophobicContact CG2-CD1 3.45Å; I523-L527 VanDerWaalsContact CG2-CD1 3.45Å; I523-L527 VanDerWaalsContact O-CD1 3.29Å; I523-L527 WeakPolarHBondContact O-CD1 3.28Å; I523-L527 VanDerWaalsContact O-CG 3.28Å; I523-L527 WeakPolarHBondContact O-CG 3.17Å; I523-L527 PolarHBondContact O-N 3.01Å; L524-L527 PolarHBondContact O-N 2.91Å; L527-N529 PolarHBondContact O-N 3.27Å
528Y66.6Low70.1Confident69 Ų6940 Ų4027%0.27121%0.21SC..THydrogen-bonded Turntrans-80.441.8175.9-96.4-81.6000115.2F489 I495 L524 I526 S532 I536F489-Y528 HydrophobicContact CD1-CE2 4.33Å; F489-Y528 HydrophobicContact CE1-CD2 4.46Å; F489-Y528 AromaticContact CE1-CE2 3.6Å; F489-Y528 HydrophobicContact CE1-CE2 3.6Å; F489-Y528 HydrophobicContact CZ-CE2 4.05Å; I495-Y528 HydrophobicContact CD1-CD1 4.38Å; I495-Y528 HydrophobicContact CD1-CE1 3.56Å; I495-Y528 HydrophobicContact CD1-CE2 3.96Å; I495-Y528 VanDerWaalsContact CD1-OH 3.31Å; I495-Y528 WeakPolarHBondContact CD1-OH 3.27Å; I495-Y528 HydrophobicContact CG1-CE1 4.39Å; I495-Y528 HydrophobicContact CG1-CE2 3.94Å; I495-Y528 WeakPolarHBondContact CG1-OH 2.93Å; I495-Y528 HydrophobicContact CG2-CD2 4.36Å; I495-Y528 HydrophobicContact CG2-CE2 4.03Å; L524-Y528 PolarHBondContact O-N 2.82Å; I526-Y528 VanDerWaalsContact C-N 3.32Å; I526-Y528 PolarHBondContact O-N 3.15Å; Y528-S532 PolarHBondContact O-OG 2.88Å; Y528-I536 HydrophobicContact CG-CD1 4.27Å
529N56.6Low69.8Low132 Ų13242.3 Ų42.371%0.70622%0.222SC*.  trans-37.6134.2174.5-111-27.8000114.6L527L527-N529 PolarHBondContact O-N 3.27Å
530S51.4Low69.6Low75 Ų7541 Ų4152%0.52422%0.216SC..SBendcis-143.5-16.3-5.162.80000113.6N533S530-N533 PolarHBondContact O-ND2 2.96Å
531K51.5Low69.5Low190 Ų19044.7 Ų44.783%0.82623%0.232SC*.SBendtrans-82.8-12.8-179.1-65.2178.3178.61760114.1
532S54.1Low69.6Low32 Ų3249 Ų4922%0.22425%0.254CS..  trans-100.1-3-168.8450000115Y528 Q534 S535 I536Y528-S532 PolarHBondContact O-OG 2.88Å; S532-Q534 PolarHBondContact O-N 3.23Å; S532-S535 PolarHBondContact O-N 3.08Å; S532-S535 PolarHBondContact O-OG 3Å; S532-I536 PolarHBondContact O-N 3.33Å
533N59.9Low69.6Low41 Ų4151.8 Ų51.822%0.21927%0.269CS..Hα-helixtrans-45.1-38.7-175.6-82.1-91.2000113.7I525 S530 I537I525-N533 WeakPolarHBondContact CG2-OD1 3.46Å; S530-N533 PolarHBondContact O-ND2 2.96Å; N533-I537 WeakPolarHBondContact O-CD1 3.25Å; N533-I537 VanDerWaalsContact O-CG1 3.22Å; N533-I537 WeakPolarHBondContact O-CG1 3.37Å; N533-I537 PolarHBondContact O-N 3.16Å
534Q67.1Low69.8Low39 Ų3951.6 Ų51.618%0.18227%0.269CS..Hα-helixtrans-87.9-24.1-177.7-174.373.235.700113.6S532 I537 N538 L898 S899S532-Q534 PolarHBondContact O-N 3.23Å; Q534-I537 PolarHBondContact O-N 3.39Å; Q534-N538 PolarHBondContact NE2-OD1 3.47Å; Q534-N538 VanDerWaalsContact O-CB 3.28Å; Q534-N538 WeakPolarHBondContact O-CB 3.34Å; Q534-N538 PolarHBondContact O-N 3.46Å; Q534-N538 PolarHBondContact O-OD1 2.83Å; Q534-L898 HydrophobicContact CG-CD2 3.95Å; Q534-S899 WeakPolarHBondContact CB-OG 3.38Å; Q534-S899 VanDerWaalsContact CG-OG 3.26Å; Q534-S899 WeakPolarHBondContact CG-OG 3.25Å
535S71.2Confident69.9Low52 Ų5254.8 Ų54.836%0.36429%0.285SS..Hα-helixtrans-68.4-41.1174.959.70000110.9S532 N538 L539S532-S535 PolarHBondContact O-N 3.08Å; S532-S535 PolarHBondContact O-OG 3Å; S535-N538 PolarHBondContact O-N 2.85Å; S535-L539 WeakPolarHBondContact O-CB 3.48Å; S535-L539 PolarHBondContact O-N 3.36Å
536I70.9Confident69.9Low18 Ų1862.8 Ų62.89%0.09232%0.322CS..Hα-helixtrans-65.2-43173.2-59.1174.1000110.9I499 I525 Y528 S532 N538 L539 I540I499-I536 HydrophobicContact CD1-CG2 3.96Å; I525-I536 HydrophobicContact CD1-CG2 4.33Å; I525-I536 HydrophobicContact CG1-CB 4.28Å; I525-I536 HydrophobicContact CG1-CG2 3.66Å; Y528-I536 HydrophobicContact CG-CD1 4.27Å; S532-I536 PolarHBondContact O-N 3.33Å; I536-N538 PolarHBondContact O-N 3.43Å; I536-L539 PolarHBondContact O-N 3.49Å; I536-I540 HydrophobicContact CG2-CD1 4.03Å; I536-I540 WeakPolarHBondContact O-CG1 3.43Å; I536-I540 PolarHBondContact O-N 3.38Å
537I75.5Confident70Confident11 Ų1168.4 Ų68.46%0.05635%0.348CS..Hα-helixtrans-64.2-38.6175.8-71.4170.4000111.8I525 N533 Q534 K541 I557I525-I537 HydrophobicContact CD1-CG1 3.92Å; N533-I537 WeakPolarHBondContact O-CD1 3.25Å; N533-I537 VanDerWaalsContact O-CG1 3.22Å; N533-I537 WeakPolarHBondContact O-CG1 3.37Å; N533-I537 PolarHBondContact O-N 3.16Å; Q534-I537 PolarHBondContact O-N 3.39Å; I537-K541 VanDerWaalsContact O-CB 3.32Å; I537-K541 WeakPolarHBondContact O-CB 3.24Å; I537-K541 PolarHBondContact O-N 3.11Å; I537-I557 HydrophobicContact CG2-CD1 4.25Å; I537-I557 HydrophobicContact CG2-CG1 4.4Å; I537-I557 HydrophobicContact CG2-CG2 4.19Å
538N77Confident70.6Confident65 Ų6567.7 Ų67.735%0.34834%0.344SS..Hα-helixtrans-65.5-40.4174.6-74.1-0.8000111.1Q534 S535 I536 K541 N542Q534-N538 PolarHBondContact NE2-OD1 3.47Å; Q534-N538 VanDerWaalsContact O-CB 3.28Å; Q534-N538 WeakPolarHBondContact O-CB 3.34Å; Q534-N538 PolarHBondContact O-N 3.46Å; Q534-N538 PolarHBondContact O-OD1 2.83Å; S535-N538 PolarHBondContact O-N 2.85Å; I536-N538 PolarHBondContact O-N 3.43Å; N538-K541 WeakPolarHBondContact O-CB 3.31Å; N538-K541 PolarHBondContact O-N 3.25Å; N538-N542 WeakPolarHBondContact O-CB 3.45Å; N538-N542 PolarHBondContact O-N 3.31Å; N538-N542 PolarHBondContact O-OD1 2.89Å
539L78.2Confident71.3Confident50 Ų5066.9 Ų66.926%0.26235%0.348SS..Hα-helixtrans-66.2-42.4178.2-159.7147.4000111.6M496 I499 S535 I536 N542 N543M496-L539 HydrophobicContact CE-CD1 3.99Å; M496-L539 HydrophobicContact CE-CD2 4.15Å; M496-L539 HydrophobicContact SD-CD1 3.68Å; M496-L539 HydrophobicContact SD-CD2 4.28Å; I499-L539 HydrophobicContact CB-CD2 4.44Å; I499-L539 HydrophobicContact CD1-CD2 4.48Å; I499-L539 HydrophobicContact CG2-CD2 3.64Å; S535-L539 WeakPolarHBondContact O-CB 3.48Å; S535-L539 PolarHBondContact O-N 3.36Å; I536-L539 PolarHBondContact O-N 3.49Å; L539-N542 PolarHBondContact O-N 2.91Å; L539-N543 PolarHBondContact O-N 2.94Å; L539-N543 VanDerWaalsContact O-N 3.1Å; L539-N543 PolarHBondContact O-ND2 2.99Å; L539-N543 PolarHBondContact O-OD1 2.64Å
540I77.5Confident72.4Confident5 Ų566.4 Ų66.43%0.02634%0.344CS..Hα-helixtrans-60.5-43.8170-68.7166.7000111I499 V503 L506 I525 I536 N543 L544I499-I540 HydrophobicContact CG2-CG1 3.99Å; V503-I540 HydrophobicContact CG2-CG1 4.21Å; V503-I540 HydrophobicContact CG2-CG2 4.36Å; L506-I540 HydrophobicContact CD1-CG2 3.73Å; I525-I540 HydrophobicContact CD1-CD1 4.14Å; I536-I540 HydrophobicContact CG2-CD1 4.03Å; I536-I540 WeakPolarHBondContact O-CG1 3.43Å; I536-I540 PolarHBondContact O-N 3.38Å; I540-N543 PolarHBondContact O-N 2.71Å; I540-L544 HydrophobicContact CG2-CD1 3.93Å; I540-L544 VanDerWaalsContact O-CG 3.31Å; I540-L544 WeakPolarHBondContact O-CG 3.42Å; I540-L544 PolarHBondContact O-N 2.75Å
541K80.1Confident73.7Confident79 Ų7969.5 Ų69.534%0.34335%0.353SS..Hα-helixtrans-60.4-48.7178.3-167.5-161.4179.2-161.80111.1I537 N538 N543 L544 I545 I553 I557I537-K541 VanDerWaalsContact O-CB 3.32Å; I537-K541 WeakPolarHBondContact O-CB 3.24Å; I537-K541 PolarHBondContact O-N 3.11Å; N538-K541 WeakPolarHBondContact O-CB 3.31Å; N538-K541 PolarHBondContact O-N 3.25Å; K541-N543 VanDerWaalsContact C-N 3.34Å; K541-N543 PolarHBondContact O-N 3.04Å; K541-L544 PolarHBondContact O-N 3.45Å; K541-L544 VanDerWaalsContact O-N 3.08Å; K541-I545 HydrophobicContact CD-CD1 4.17Å; K541-I545 HydrophobicContact CG-CD1 4.03Å; K541-I545 HydrophobicContact CG-CG1 4.3Å; K541-I545 WeakPolarHBondContact O-CG1 3.43Å; K541-I545 PolarHBondContact O-N 3.16Å; K541-I553 HydrophobicContact CG-CG2 3.82Å; K541-I557 HydrophobicContact CB-CD1 4.21Å; K541-I557 HydrophobicContact CG-CD1 4.1Å
542N81.7Confident75Confident94 Ų9464.7 Ų64.750%0.50333%0.334SS..Hα-helixtrans-60.6-43.1-179.6-68.13.9000111.3N538 L539 L544 I545N538-N542 WeakPolarHBondContact O-CB 3.45Å; N538-N542 PolarHBondContact O-N 3.31Å; N538-N542 PolarHBondContact O-OD1 2.89Å; L539-N542 PolarHBondContact O-N 2.91Å; N542-L544 PolarHBondContact O-N 3.11Å; N542-L544 VanDerWaalsContact O-N 3.12Å; N542-I545 PolarHBondContact O-N 3.32Å
543N79.1Confident76.2Confident59 Ų5963.3 Ų63.332%0.31632%0.324SS..Hα-helixtrans-71.5-3.2178.2-61.3-9.3000114.5V503 K507 L539 I540 K541V503-N543 HydrophobicContact CG1-CB 3.81Å; V503-N543 HydrophobicContact CG2-CB 4.36Å; K507-N543 VanDerWaalsContact CE-O 3.26Å; K507-N543 WeakPolarHBondContact CE-O 3.34Å; K507-N543 PolarHBondContact NZ-O 3.4Å; L539-N543 PolarHBondContact O-N 2.94Å; L539-N543 VanDerWaalsContact O-N 3.1Å; L539-N543 PolarHBondContact O-ND2 2.99Å; L539-N543 PolarHBondContact O-OD1 2.64Å; I540-N543 PolarHBondContact O-N 2.71Å; K541-N543 VanDerWaalsContact C-N 3.34Å; K541-N543 PolarHBondContact O-N 3.04Å
544L79.2Confident77.2Confident2 Ų265.5 Ų65.51%0.0134%0.336CS..Hα-helixtrans-113.7-25.1175.9-66.8172.6000113.8V503 L506 K507 I540 K541 N542 H546 Q547 M548 I553 L556V503-L544 HydrophobicContact CG1-CD2 4.06Å; V503-L544 HydrophobicContact CG1-CG 4.41Å; L506-L544 HydrophobicContact CB-CD2 4.26Å; L506-L544 HydrophobicContact CD1-CD1 4.11Å; K507-L544 HydrophobicContact CD-CD2 4.34Å; K507-L544 HydrophobicContact CG-CD2 3.65Å; I540-L544 HydrophobicContact CG2-CD1 3.93Å; I540-L544 VanDerWaalsContact O-CG 3.31Å; I540-L544 WeakPolarHBondContact O-CG 3.42Å; I540-L544 PolarHBondContact O-N 2.75Å; K541-L544 PolarHBondContact O-N 3.45Å; K541-L544 VanDerWaalsContact O-N 3.08Å; N542-L544 PolarHBondContact O-N 3.11Å; N542-L544 VanDerWaalsContact O-N 3.12Å; L544-H546 PolarHBondContact O-N 3.09Å; L544-H546 VanDerWaalsContact O-N 3.1Å; L544-Q547 PolarHBondContact O-N 2.82Å; L544-M548 HydrophobicContact CD2-SD 4.03Å; L544-M548 PolarHBondContact O-N 3.29Å; L544-M548 VanDerWaalsContact O-N 3.1Å; L544-I553 HydrophobicContact CB-CD1 4.02Å; L544-I553 HydrophobicContact CB-CG1 3.99Å; L544-L556 HydrophobicContact CD1-CD1 4.06Å
545I78.1Confident78Confident75 Ų7569.3 Ų69.339%0.38535%0.352SS..Hα-helixtrans-52.8-34.8-175-86.7166.4000113.5K541 N542 Q547 I553K541-I545 HydrophobicContact CD-CD1 4.17Å; K541-I545 HydrophobicContact CG-CD1 4.03Å; K541-I545 HydrophobicContact CG-CG1 4.3Å; K541-I545 WeakPolarHBondContact O-CG1 3.43Å; K541-I545 PolarHBondContact O-N 3.16Å; N542-I545 PolarHBondContact O-N 3.32Å; I545-Q547 VanDerWaalsContact C-N 3.32Å; I545-Q547 PolarHBondContact O-N 3.36Å; I545-I553 HydrophobicContact CG1-CD1 4.09Å
546H75.9Confident78.5Confident169 Ų16967 Ų6778%0.78234%0.335SS*.THydrogen-bonded Turntrans-82-4.1-178.9-59.7-78.3000114.5L544L544-H546 PolarHBondContact O-N 3.09Å; L544-H546 VanDerWaalsContact O-N 3.1Å
547Q71.3Confident79Confident132 Ų13267 Ų6762%0.61734%0.336SS*.THydrogen-bonded Turntrans-140-2.4-166.7-67.6-175.5-26.300114.9K507 L544 I545K507-Q547 VanDerWaalsContact CD-OE1 3.28Å; L544-Q547 PolarHBondContact O-N 2.82Å; I545-Q547 VanDerWaalsContact C-N 3.32Å; I545-Q547 PolarHBondContact O-N 3.36Å
548M80.8Confident79.4Confident33 Ų3374.1 Ų74.116%0.16337%0.366CS..SBendtrans-144.1153.3175.6-60-168.886.600110.2L544 E552 I553 L556L544-M548 HydrophobicContact CD2-SD 4.03Å; L544-M548 PolarHBondContact O-N 3.29Å; L544-M548 VanDerWaalsContact O-N 3.1Å; M548-E552 HydrophobicContact CB-CB 4.38Å; M548-E552 HydrophobicContact CE-CB 4.03Å; M548-I553 HydrophobicContact CB-CD1 4.21Å; M548-I553 HydrophobicContact CB-CG1 3.82Å; M548-I553 WeakPolarHBondContact O-CD1 3.46Å; M548-L556 HydrophobicContact CE-CD1 4.03Å; M548-L556 HydrophobicContact SD-CD1 3.57Å; M548-L556 VanDerWaalsContact SD-CD1 3.57Å
549S81.5Confident79.7Confident52 Ų5273.4 Ų73.436%0.36436%0.36SS..  trans-65.3152.1175.370.80000111.6I551 E552 I553S549-I551 PolarHBondContact O-N 3.34Å; S549-I551 VanDerWaalsContact O-N 3.11Å; S549-E552 WeakPolarHBondContact CB-OE2 3.34Å; S549-E552 PolarHBondContact N-OE2 3.36Å; S549-E552 PolarHBondContact O-N 2.97Å; S549-E552 VanDerWaalsContact OG-CD 3.32Å; S549-E552 VanDerWaalsContact OG-CG 3.3Å; S549-E552 WeakPolarHBondContact OG-CG 3.41Å; S549-E552 PolarHBondContact OG-N 3.2Å; S549-E552 PolarHBondContact OG-OE2 2.84Å; S549-I553 WeakPolarHBondContact O-CG1 3.33Å; S549-I553 PolarHBondContact O-N 3.31Å
550I78.6Confident79.8Confident121 Ų12171.2 Ų71.262%0.62135%0.348SS*.Hα-helixtrans-57-29.8175.4-64.7172.7000111.3N554I550-N554 VanDerWaalsContact O-CB 3.26Å; I550-N554 WeakPolarHBondContact O-CB 3.32Å; I550-N554 PolarHBondContact O-N 2.99Å; I550-N554 PolarHBondContact O-ND2 2.9Å
551I78.6Confident79.9Confident140 Ų14075.6 Ų75.672%0.71837%0.367SS*.Hα-helixtrans-65.3-49.2175.6-59.8174.9000110.5S549 N554 F555S549-I551 PolarHBondContact O-N 3.34Å; S549-I551 VanDerWaalsContact O-N 3.11Å; I551-N554 PolarHBondContact O-N 2.95Å; I551-F555 WeakPolarHBondContact O-CB 3.45Å; I551-F555 PolarHBondContact O-N 3.25Å
552E78.1Confident80Confident90 Ų9078.6 Ų78.642%0.42138%0.38SS..Hα-helixtrans-66.4-42.7178.2-68.8161.2116.900112M548 S549 N554 F555 L556M548-E552 HydrophobicContact CB-CB 4.38Å; M548-E552 HydrophobicContact CE-CB 4.03Å; S549-E552 WeakPolarHBondContact CB-OE2 3.34Å; S549-E552 PolarHBondContact N-OE2 3.36Å; S549-E552 PolarHBondContact O-N 2.97Å; S549-E552 VanDerWaalsContact OG-CD 3.32Å; S549-E552 VanDerWaalsContact OG-CG 3.3Å; S549-E552 WeakPolarHBondContact OG-CG 3.41Å; S549-E552 PolarHBondContact OG-N 3.2Å; S549-E552 PolarHBondContact OG-OE2 2.84Å; E552-N554 VanDerWaalsContact C-N 3.32Å; E552-N554 PolarHBondContact O-N 3.31Å; E552-F555 CarbonylContact O-C 3.6Å; E552-F555 WeakPolarHBondContact O-CA 3.48Å; E552-F555 WeakPolarHBondContact O-CB 3.36Å; E552-F555 PolarHBondContact O-N 3.35Å; E552-L556 WeakPolarHBondContact O-CG 3.16Å; E552-L556 PolarHBondContact O-N 3.16Å
553I80.6Confident79.7Confident2 Ų275.5 Ų75.51%0.0136%0.362CS..Hα-helixtrans-60.4-44.1176.4-64169.6000110.3K541 L544 I545 M548 S549 F555 L556 I557K541-I553 HydrophobicContact CG-CG2 3.82Å; L544-I553 HydrophobicContact CB-CD1 4.02Å; L544-I553 HydrophobicContact CB-CG1 3.99Å; I545-I553 HydrophobicContact CG1-CD1 4.09Å; M548-I553 HydrophobicContact CB-CD1 4.21Å; M548-I553 HydrophobicContact CB-CG1 3.82Å; M548-I553 WeakPolarHBondContact O-CD1 3.46Å; S549-I553 WeakPolarHBondContact O-CG1 3.33Å; S549-I553 PolarHBondContact O-N 3.31Å; I553-F555 VanDerWaalsContact C-N 3.32Å; I553-F555 PolarHBondContact O-N 3.22Å; I553-L556 PolarHBondContact O-N 3.25Å; I553-I557 HydrophobicContact CG2-CD1 3.82Å; I553-I557 WeakPolarHBondContact O-CB 3.48Å; I553-I557 VanDerWaalsContact O-CG1 3.3Å; I553-I557 WeakPolarHBondContact O-CG1 3.36Å; I553-I557 PolarHBondContact O-N 3.17Å
554N80.8Confident79.3Confident88 Ų8873.4 Ų73.447%0.47135%0.351SS..Hα-helixtrans-65.1-34.7174.4-76.7-32.3000112.3I550 I551 E552 K558I550-N554 VanDerWaalsContact O-CB 3.26Å; I550-N554 WeakPolarHBondContact O-CB 3.32Å; I550-N554 PolarHBondContact O-N 2.99Å; I550-N554 PolarHBondContact O-ND2 2.9Å; I551-N554 PolarHBondContact O-N 2.95Å; E552-N554 VanDerWaalsContact C-N 3.32Å; E552-N554 PolarHBondContact O-N 3.31Å; N554-K558 WeakPolarHBondContact O-CB 3.38Å; N554-K558 PolarHBondContact O-N 3.01Å
555F82.9Confident78.9Confident119 Ų11981 Ų8152%0.52238%0.384SS..Hα-helixtrans-67.8-41.7174.2-179.1-116.8000112.3I551 E552 I553 K558 K559I551-F555 WeakPolarHBondContact O-CB 3.45Å; I551-F555 PolarHBondContact O-N 3.25Å; E552-F555 CarbonylContact O-C 3.6Å; E552-F555 WeakPolarHBondContact O-CA 3.48Å; E552-F555 WeakPolarHBondContact O-CB 3.36Å; E552-F555 PolarHBondContact O-N 3.35Å; I553-F555 VanDerWaalsContact C-N 3.32Å; I553-F555 PolarHBondContact O-N 3.22Å; F555-K558 PolarHBondContact O-N 3.1Å; F555-K559 HydrophobicContact CE1-CD 4.45Å; F555-K559 WeakPolarHBondContact O-CG 3.41Å; F555-K559 PolarHBondContact O-N 3.27Å
556L82.2Confident78.4Confident2 Ų283 Ų831%0.0139%0.39CS..Hα-helixtrans-62.7-49172.3-69.2178.1000111.3Q514 I518 L544 M548 E552 I553 K558 K559 I560Q514-L556 VanDerWaalsContact CD-CD2 3.49Å; Q514-L556 HydrophobicContact CG-CD2 3.85Å; I518-L556 HydrophobicContact CD1-CD2 3.79Å; L544-L556 HydrophobicContact CD1-CD1 4.06Å; M548-L556 HydrophobicContact CE-CD1 4.03Å; M548-L556 HydrophobicContact SD-CD1 3.57Å; M548-L556 VanDerWaalsContact SD-CD1 3.57Å; E552-L556 WeakPolarHBondContact O-CG 3.16Å; E552-L556 PolarHBondContact O-N 3.16Å; I553-L556 PolarHBondContact O-N 3.25Å; L556-K558 VanDerWaalsContact C-N 3.25Å; L556-K558 PolarHBondContact O-N 2.86Å; L556-K559 CarbonylContact O-C 3.57Å; L556-K559 WeakPolarHBondContact O-CA 3.37Å; L556-K559 WeakPolarHBondContact O-CB 3.43Å; L556-K559 PolarHBondContact O-N 3.24Å; L556-I560 WeakPolarHBondContact O-CG1 3.47Å; L556-I560 PolarHBondContact O-N 3.23Å
557I82.4Confident77.7Confident20 Ų2075.5 Ų75.510%0.10336%0.355CS..Hα-helixtrans-62.2-34.5176.4-68169.6000110.9I537 K541 I553 K561I537-I557 HydrophobicContact CG2-CD1 4.25Å; I537-I557 HydrophobicContact CG2-CG1 4.4Å; I537-I557 HydrophobicContact CG2-CG2 4.19Å; K541-I557 HydrophobicContact CB-CD1 4.21Å; K541-I557 HydrophobicContact CG-CD1 4.1Å; I553-I557 HydrophobicContact CG2-CD1 3.82Å; I553-I557 WeakPolarHBondContact O-CB 3.48Å; I553-I557 VanDerWaalsContact O-CG1 3.3Å; I553-I557 WeakPolarHBondContact O-CG1 3.36Å; I553-I557 PolarHBondContact O-N 3.17Å; I557-K561 HydrophobicContact CG2-CD 3.95Å; I557-K561 HydrophobicContact CG2-CG 4.37Å; I557-K561 VanDerWaalsContact O-CB 3.3Å; I557-K561 WeakPolarHBondContact O-CB 3.17Å; I557-K561 VanDerWaalsContact O-CG 3.28Å; I557-K561 WeakPolarHBondContact O-CG 3.49Å; I557-K561 PolarHBondContact O-N 3.15Å
558K83.3Confident77Confident160 Ų16074.5 Ų74.570%0.69635%0.349SS*.Hα-helixtrans-68-37.8172.9-172.5175.7-175.9176.40112.2N554 F555 L556 K562N554-K558 WeakPolarHBondContact O-CB 3.38Å; N554-K558 PolarHBondContact O-N 3.01Å; F555-K558 PolarHBondContact O-N 3.1Å; L556-K558 VanDerWaalsContact C-N 3.25Å; L556-K558 PolarHBondContact O-N 2.86Å; K558-K562 VanDerWaalsContact O-CB 3.3Å; K558-K562 WeakPolarHBondContact O-CB 3.21Å; K558-K562 PolarHBondContact O-N 3.38Å
559K82.7Confident75.5Confident50 Ų5078.9 Ų78.922%0.21737%0.373CS..Hα-helixtrans-63.8-52.7169.7-72.8179.4-177.4177.10110.8I518 F555 L556 K561 K562 F563I518-K559 HydrophobicContact CD1-CB 3.88Å; I518-K559 HydrophobicContact CD1-CD 3.32Å; I518-K559 HydrophobicContact CD1-CG 4.28Å; I518-K559 HydrophobicContact CG2-CB 4.12Å; F555-K559 HydrophobicContact CE1-CD 4.45Å; F555-K559 WeakPolarHBondContact O-CG 3.41Å; F555-K559 PolarHBondContact O-N 3.27Å; L556-K559 CarbonylContact O-C 3.57Å; L556-K559 WeakPolarHBondContact O-CA 3.37Å; L556-K559 WeakPolarHBondContact O-CB 3.43Å; L556-K559 PolarHBondContact O-N 3.24Å; K559-K561 PolarHBondContact O-N 3.13Å; K559-K562 CarbonylContact O-C 3.58Å; K559-K562 WeakPolarHBondContact O-CA 3.49Å; K559-K562 WeakPolarHBondContact O-CB 3.33Å; K559-K562 PolarHBondContact O-N 3.37Å; K559-F563 WeakPolarHBondContact O-CD2 3.17Å; K559-F563 PolarHBondContact O-N 3.19Å
560I81.1Confident73.9Confident4 Ų480.7 Ų80.72%0.02137%0.374CS..Hα-helixtrans-55.9-48.4178.6-66.9166000110.4I518 C521 I525 L556 K562 F563 I564I518-I560 HydrophobicContact CB-CG1 4.43Å; I518-I560 HydrophobicContact CG1-CG1 4.2Å; I518-I560 HydrophobicContact CG2-CG1 3.93Å; C521-I560 HydrophobicContact CB-CD1 4.23Å; C521-I560 HydrophobicContact CB-CG1 4.36Å; I525-I560 HydrophobicContact CD1-CG2 3.77Å; L556-I560 WeakPolarHBondContact O-CG1 3.47Å; L556-I560 PolarHBondContact O-N 3.23Å; I560-K562 VanDerWaalsContact C-N 3.28Å; I560-K562 PolarHBondContact O-N 3.07Å; I560-F563 CarbonylContact O-C 3.46Å; I560-F563 PolarHBondContact O-N 3.26Å; I560-F563 VanDerWaalsContact O-N 3.13Å; I560-I564 HydrophobicContact CG2-CD1 3.74Å; I560-I564 HydrophobicContact CG2-CG1 4.35Å; I560-I564 WeakPolarHBondContact O-CG1 3.4Å; I560-I564 PolarHBondContact O-N 3.43Å
561K80.1Confident72.3Confident96 Ų9677.6 Ų77.642%0.41736%0.359SS..Hα-helixtrans-63.5-29.9175.4-72.3177.1178.4-177.20113.1I557 K559 K565I557-K561 HydrophobicContact CG2-CD 3.95Å; I557-K561 HydrophobicContact CG2-CG 4.37Å; I557-K561 VanDerWaalsContact O-CB 3.3Å; I557-K561 WeakPolarHBondContact O-CB 3.17Å; I557-K561 VanDerWaalsContact O-CG 3.28Å; I557-K561 WeakPolarHBondContact O-CG 3.49Å; I557-K561 PolarHBondContact O-N 3.15Å; K559-K561 PolarHBondContact O-N 3.13Å; K561-K565 WeakPolarHBondContact O-CG 3.3Å; K561-K565 PolarHBondContact O-N 2.82Å; K561-K565 VanDerWaalsContact O-N 3.16Å
562K81.1Confident70.6Confident142 Ų14275.5 Ų75.562%0.61735%0.345SS*.Hα-helixtrans-73.1-37.4172.4-173.7178.4-178179.70111.9K558 K559 I560 K565 K566K558-K562 VanDerWaalsContact O-CB 3.3Å; K558-K562 WeakPolarHBondContact O-CB 3.21Å; K558-K562 PolarHBondContact O-N 3.38Å; K559-K562 CarbonylContact O-C 3.58Å; K559-K562 WeakPolarHBondContact O-CA 3.49Å; K559-K562 WeakPolarHBondContact O-CB 3.33Å; K559-K562 PolarHBondContact O-N 3.37Å; I560-K562 VanDerWaalsContact C-N 3.28Å; I560-K562 PolarHBondContact O-N 3.07Å; K562-K565 PolarHBondContact O-N 3.2Å; K562-K566 PolarHBondContact O-N 3Å
563F74.8Confident68.8Low29 Ų2974.5 Ų74.513%0.12734%0.342CS..Hα-helixtrans-69.2-45.5172.9-86.3-81.6000111.6I518 E519 A522 K559 I560 K565 K566 E567I518-F563 HydrophobicContact CG2-CB 4.48Å; I518-F563 HydrophobicContact CG2-CD2 3.41Å; I518-F563 VanDerWaalsContact CG2-CD2 3.41Å; I518-F563 HydrophobicContact CG2-CE2 3.83Å; I518-F563 HydrophobicContact CG2-CG 4.14Å; E519-F563 HydrophobicContact CG-CD1 3.69Å; E519-F563 HydrophobicContact CG-CE1 3.38Å; E519-F563 HydrophobicContact CG-CG 4.38Å; E519-F563 HydrophobicContact CG-CZ 3.85Å; E519-F563 WeakPolarHBondContact OE1-CE1 3.2Å; E519-F563 WeakPolarHBondContact OE1-CZ 3.19Å; A522-F563 HydrophobicContact CB-CB 3.71Å; K559-F563 WeakPolarHBondContact O-CD2 3.17Å; K559-F563 PolarHBondContact O-N 3.19Å; I560-F563 CarbonylContact O-C 3.46Å; I560-F563 PolarHBondContact O-N 3.26Å; I560-F563 VanDerWaalsContact O-N 3.13Å; F563-K565 PolarHBondContact O-N 2.75Å; F563-K566 HydrophobicContact CD1-CD 4.25Å; F563-K566 HydrophobicContact CE1-CD 4.44Å; F563-K566 CarbonylContact O-C 3.44Å; F563-K566 WeakPolarHBondContact O-CA 3.27Å; F563-K566 WeakPolarHBondContact O-CB 3.46Å; F563-K566 PolarHBondContact O-N 3.19Å; F563-E567 WeakPolarHBondContact O-CB 3.43Å; F563-E567 PolarHBondContact O-N 2.98Å
564I71.6Confident66.8Low15 Ų1575.1 Ų75.18%0.07735%0.346CS..Hα-helixtrans-57.1-36.5173.2-65.2165.4000111.6A522 I525 I526 I560 K568A522-I564 HydrophobicContact CB-CG1 3.86Å; I525-I564 HydrophobicContact CB-CD1 4Å; I525-I564 HydrophobicContact CD1-CD1 4.07Å; I525-I564 HydrophobicContact CG2-CD1 3.61Å; I526-I564 HydrophobicContact CD1-CG2 4.45Å; I526-I564 HydrophobicContact CG1-CG1 4.42Å; I526-I564 HydrophobicContact CG1-CG2 4.12Å; I560-I564 HydrophobicContact CG2-CD1 3.74Å; I560-I564 HydrophobicContact CG2-CG1 4.35Å; I560-I564 WeakPolarHBondContact O-CG1 3.4Å; I560-I564 PolarHBondContact O-N 3.43Å; I564-K568 HydrophobicContact CG2-CD 4.19Å; I564-K568 HydrophobicContact CG2-CG 4.35Å; I564-K568 WeakPolarHBondContact O-CB 3.15Å; I564-K568 WeakPolarHBondContact O-CG 3.3Å; I564-K568 PolarHBondContact O-N 2.82Å
565K70.9Confident64.8Low163 Ų16371.9 Ų71.971%0.70933%0.329SS*.Hα-helixtrans-70.4-31.7172.7-77.6-174.4177.1-167.10114K561 K562 F563K561-K565 WeakPolarHBondContact O-CG 3.3Å; K561-K565 PolarHBondContact O-N 2.82Å; K561-K565 VanDerWaalsContact O-N 3.16Å; K562-K565 PolarHBondContact O-N 3.2Å; F563-K565 PolarHBondContact O-N 2.75Å
566K66.9Low62.5Low115 Ų11568.3 Ų68.350%0.532%0.315SS..Hα-helixtrans-70.2-45.9169.6-75.9178.5164.6-167.60111K562 F563 N569 F570K562-K566 PolarHBondContact O-N 3Å; F563-K566 HydrophobicContact CD1-CD 4.25Å; F563-K566 HydrophobicContact CE1-CD 4.44Å; F563-K566 CarbonylContact O-C 3.44Å; F563-K566 WeakPolarHBondContact O-CA 3.27Å; F563-K566 WeakPolarHBondContact O-CB 3.46Å; F563-K566 PolarHBondContact O-N 3.19Å; K566-N569 CarbonylContact O-C 3.42Å; K566-N569 WeakPolarHBondContact O-CA 3.45Å; K566-N569 VanDerWaalsContact O-CB 3.32Å; K566-N569 WeakPolarHBondContact O-CB 3.29Å; K566-N569 PolarHBondContact O-N 3.2Å; K566-F570 PolarHBondContact O-N 2.84Å
567E61.6Low60.3Low12 Ų1272.8 Ų72.86%0.05634%0.337CS..Hα-helixtrans-82.4-22.6-169-73-178.7152.200113.5A522 I526 F563 N569 F570 N571A522-E567 WeakPolarHBondContact CB-OE2 3.46Å; I526-E567 HydrophobicContact CD1-CB 3.34Å; F563-E567 WeakPolarHBondContact O-CB 3.43Å; F563-E567 PolarHBondContact O-N 2.98Å; E567-N569 PolarHBondContact O-N 3Å; E567-F570 HydrophobicContact CB-CB 4.38Å; E567-F570 HydrophobicContact CG-CB 4.26Å; E567-F570 CarbonylContact O-C 3.5Å; E567-F570 WeakPolarHBondContact O-CA 3.48Å; E567-F570 PolarHBondContact O-N 3.24Å; E567-N571 WeakPolarHBondContact O-CB 3.37Å; E567-N571 PolarHBondContact O-N 2.94Å
568K57Low58.1Low111 Ų11172.1 Ų72.148%0.48333%0.334SS..THydrogen-bonded Turntrans-63.8-18.5160.8-73.3-173.8177.9-1680113.4I526 I564I526-K568 HydrophobicContact CD1-CG 4.48Å; I526-K568 HydrophobicContact CG1-CG 4.43Å; I564-K568 HydrophobicContact CG2-CD 4.19Å; I564-K568 HydrophobicContact CG2-CG 4.35Å; I564-K568 WeakPolarHBondContact O-CB 3.15Å; I564-K568 WeakPolarHBondContact O-CG 3.3Å; I564-K568 PolarHBondContact O-N 2.82Å
569N48.8Very low55.9Low125 Ų12565.5 Ų65.567%0.66831%0.307SS*.THydrogen-bonded Turntrans-982.3168.5-55.9-4.2000112.7K566 E567 N573K566-N569 CarbonylContact O-C 3.42Å; K566-N569 WeakPolarHBondContact O-CA 3.45Å; K566-N569 VanDerWaalsContact O-CB 3.32Å; K566-N569 WeakPolarHBondContact O-CB 3.29Å; K566-N569 PolarHBondContact O-N 3.2Å; E567-N569 PolarHBondContact O-N 3Å; N569-N573 PolarHBondContact O-ND2 3.18Å
570F47.8Very low53.7Low91 Ų9165.5 Ų65.540%0.39931%0.311SS..THydrogen-bonded Turntrans-122.6-16.2-174.2-140.5-93.1000112.6K566 E567 K572 N573 L574 M577K566-F570 PolarHBondContact O-N 2.84Å; E567-F570 HydrophobicContact CB-CB 4.38Å; E567-F570 HydrophobicContact CG-CB 4.26Å; E567-F570 CarbonylContact O-C 3.5Å; E567-F570 WeakPolarHBondContact O-CA 3.48Å; E567-F570 PolarHBondContact O-N 3.24Å; F570-K572 PolarHBondContact O-N 2.95Å; F570-N573 HydrophobicContact CD1-CB 4.35Å; F570-N573 HydrophobicContact CG-CB 4.47Å; F570-N573 CarbonylContact O-C 3.58Å; F570-N573 WeakPolarHBondContact O-CA 3.38Å; F570-N573 WeakPolarHBondContact O-CB 3.33Å; F570-N573 PolarHBondContact O-N 3.05Å; F570-L574 HydrophobicContact CD1-CD1 3.97Å; F570-L574 HydrophobicContact CD1-CG 3.84Å; F570-L574 HydrophobicContact CE1-CG 4.41Å; F570-L574 WeakPolarHBondContact O-CB 3.39Å; F570-L574 WeakPolarHBondContact O-CG 3.27Å; F570-L574 PolarHBondContact O-N 3.48Å; F570-M577 HydrophobicContact CE1-CE 4.13Å
571N45.4Very low51.6Low55 Ų5567.1 Ų67.129%0.29432%0.319SS..Hα-helixtrans-64.1-26.4175.7-108.355.6000113I526 E567 V575I526-N571 WeakPolarHBondContact CG2-ND2 3.43Å; E567-N571 WeakPolarHBondContact O-CB 3.37Å; E567-N571 PolarHBondContact O-N 2.94Å; N571-V575 PolarHBondContact O-N 2.99Å
572K41.8Very low49.4Very low96 Ų9665.6 Ų65.642%0.41732%0.316SS..Hα-helixtrans-58.2-63.7163.3-68.5-154.8177.1-160.20110.7F570 L574 V575 D576 N952 E955F570-K572 PolarHBondContact O-N 2.95Å; K572-L574 PolarHBondContact O-N 3.03Å; K572-V575 PolarHBondContact O-N 2.87Å; K572-D576 PolarHBondContact O-N 2.83Å; K572-N952 VanDerWaalsContact CE-OD1 3.29Å; K572-N952 WeakPolarHBondContact CE-OD1 3.29Å; K572-N952 PolarHBondContact NZ-OD1 3.41Å; K572-E955 WeakPolarHBondContact CA-OE2 3.47Å; K572-E955 WeakPolarHBondContact CB-OE2 3.35Å; K572-E955 WeakPolarHBondContact CD-OE2 3.25Å; K572-E955 WeakPolarHBondContact CG-OE2 3.42Å
573N40.8Very low47.2Very low69 Ų6959.9 Ų59.937%0.36929%0.291SS..Hα-helixtrans-58.7-17.3178.8-43.2-25.3000114.4N569 F570 D576 M577N569-N573 PolarHBondContact O-ND2 3.18Å; F570-N573 HydrophobicContact CD1-CB 4.35Å; F570-N573 HydrophobicContact CG-CB 4.47Å; F570-N573 CarbonylContact O-C 3.58Å; F570-N573 WeakPolarHBondContact O-CA 3.38Å; F570-N573 WeakPolarHBondContact O-CB 3.33Å; F570-N573 PolarHBondContact O-N 3.05Å; N573-D576 WeakPolarHBondContact O-CB 3.48Å; N573-M577 WeakPolarHBondContact O-CG 3.46Å
574L39.6Very low45.3Very low16 Ų1664 Ų648%0.08431%0.309CS..Hα-helixtrans-89.3-40.3-178.7-86164.5000112.7I485 F570 K572 D576 M577 V578I485-L574 HydrophobicContact CD1-CD2 3.7Å; I485-L574 HydrophobicContact CG1-CD2 3.96Å; I485-L574 HydrophobicContact CG2-CD2 3.82Å; F570-L574 HydrophobicContact CD1-CD1 3.97Å; F570-L574 HydrophobicContact CD1-CG 3.84Å; F570-L574 HydrophobicContact CE1-CG 4.41Å; F570-L574 WeakPolarHBondContact O-CB 3.39Å; F570-L574 WeakPolarHBondContact O-CG 3.27Å; F570-L574 PolarHBondContact O-N 3.48Å; K572-L574 PolarHBondContact O-N 3.03Å; L574-D576 VanDerWaalsContact C-N 3.25Å; L574-D576 PolarHBondContact O-N 2.93Å; L574-M577 HydrophobicContact CD2-SD 4.46Å; L574-M577 WeakPolarHBondContact O-CA 3.31Å; L574-M577 WeakPolarHBondContact O-CB 3.49Å; L574-M577 PolarHBondContact O-N 3.08Å; L574-V578 WeakPolarHBondContact O-CG2 3.44Å; L574-V578 PolarHBondContact O-N 3.28Å
575V37.5Very low43.5Very low20 Ų2063.6 Ų63.612%0.12131%0.307CS..Hα-helixtrans-66.6-36.2172.3-175.70000109.8Q488 N571 K572 M577 V578 V579 E955Q488-V575 VanDerWaalsContact NE2-CG1 3.35Å; N571-V575 PolarHBondContact O-N 2.99Å; K572-V575 PolarHBondContact O-N 2.87Å; V575-M577 PolarHBondContact O-N 3.36Å; V575-M577 VanDerWaalsContact O-N 3.17Å; V575-V578 PolarHBondContact O-N 3.43Å; V575-V579 HydrophobicContact CG1-CG2 3.74Å; V575-V579 WeakPolarHBondContact O-CB 3.45Å; V575-V579 WeakPolarHBondContact O-CG2 3.45Å; V575-V579 PolarHBondContact O-N 2.99Å; V575-E955 HydrophobicContact CB-CB 4.49Å; V575-E955 WeakPolarHBondContact CB-O 3.48Å; V575-E955 WeakPolarHBondContact CG1-O 3.29Å; V575-E955 VanDerWaalsContact CG2-O 3.23Å; V575-E955 WeakPolarHBondContact CG2-O 3.3Å
576D35.1Very low41.6Very low43 Ų4358.6 Ų58.623%0.2329%0.288CS..Hα-helixtrans-45-42.6163.3-108.1-9.9000112.7K572 N573 L574 V580 Q1000K572-D576 PolarHBondContact O-N 2.83Å; N573-D576 WeakPolarHBondContact O-CB 3.48Å; L574-D576 VanDerWaalsContact C-N 3.25Å; L574-D576 PolarHBondContact O-N 2.93Å; D576-V580 WeakPolarHBondContact O-CB 3.43Å; D576-V580 WeakPolarHBondContact O-CG2 3.4Å; D576-V580 PolarHBondContact O-N 3.25Å; D576-Q1000 PolarHBondContact OD1-NE2 2.92Å
577M35.1Very low40Very low96 Ų9657.4 Ų57.447%0.47329%0.287SS..Hα-helixtrans-75.9-36.4177.8-69.5-171.1-150.700114F570 N573 L574 V575 I581F570-M577 HydrophobicContact CE1-CE 4.13Å; N573-M577 WeakPolarHBondContact O-CG 3.46Å; L574-M577 HydrophobicContact CD2-SD 4.46Å; L574-M577 WeakPolarHBondContact O-CA 3.31Å; L574-M577 WeakPolarHBondContact O-CB 3.49Å; L574-M577 PolarHBondContact O-N 3.08Å; V575-M577 PolarHBondContact O-N 3.36Å; V575-M577 VanDerWaalsContact O-N 3.17Å; M577-I581 WeakPolarHBondContact O-CB 3.19Å; M577-I581 VanDerWaalsContact O-CG1 3.28Å; M577-I581 WeakPolarHBondContact O-CG1 3.32Å; M577-I581 PolarHBondContact O-N 3.1Å; M577-I581 VanDerWaalsContact O-N 3.13Å
578V38Very low38.7Very low6 Ų660 Ų604%0.03630%0.298CS..Hα-helixtrans-67.5-45.3176.7-178.20000110.1I485 N486 L574 V575 I581 N582I485-V578 HydrophobicContact CG2-CG2 3.64Å; I485-V578 WeakPolarHBondContact O-CG2 3.21Å; N486-V578 HydrophobicContact CB-CG1 4.38Å; L574-V578 WeakPolarHBondContact O-CG2 3.44Å; L574-V578 PolarHBondContact O-N 3.28Å; V575-V578 PolarHBondContact O-N 3.43Å; V578-I581 PolarHBondContact O-N 3.41Å; V578-I581 VanDerWaalsContact O-N 3.11Å; V578-N582 PolarHBondContact O-N 3.04Å
579V35.3Very low37.5Very low21 Ų2156.4 Ų56.413%0.12728%0.283CS..Hα-helixtrans-55.1-55.3173.51670000110V575 I581 N582 E583 M957V575-V579 HydrophobicContact CG1-CG2 3.74Å; V575-V579 WeakPolarHBondContact O-CB 3.45Å; V575-V579 WeakPolarHBondContact O-CG2 3.45Å; V575-V579 PolarHBondContact O-N 2.99Å; V579-I581 PolarHBondContact O-N 2.87Å; V579-N582 PolarHBondContact O-N 2.83Å; V579-E583 VanDerWaalsContact CG1-CD 3.44Å; V579-E583 HydrophobicContact CG1-CG 4.45Å; V579-E583 WeakPolarHBondContact CG1-OE1 3.11Å; V579-E583 WeakPolarHBondContact O-CB 3.22Å; V579-E583 WeakPolarHBondContact O-CG 3.26Å; V579-E583 PolarHBondContact O-N 2.94Å; V579-M957 HydrophobicContact CG2-CE 3.73Å
580V38.2Very low36.5Very low50 Ų5053.3 Ų53.330%0.30327%0.266SS..Hα-helixtrans-63.5-13.2177.2165.20000114.4D576 K584D576-V580 WeakPolarHBondContact O-CB 3.43Å; D576-V580 WeakPolarHBondContact O-CG2 3.4Å; D576-V580 PolarHBondContact O-N 3.25Å; V580-K584 WeakPolarHBondContact O-CD 3.4Å; V580-K584 WeakPolarHBondContact O-CE 3.47Å; V580-K584 VanDerWaalsContact O-CG 3.28Å; V580-K584 WeakPolarHBondContact O-CG 3.19Å
581I35.8Very low35.7Very low38 Ų3853.1 Ų53.120%0.19528%0.275CS..Hα-helixtrans-93.2-47.9172.4-74173000110.7F482 M577 V578 V579 E583 K584 M585F482-I581 HydrophobicContact CE2-CD1 3.68Å; F482-I581 HydrophobicContact CZ-CD1 4.27Å; F482-I581 HydrophobicContact CZ-CG2 4.33Å; M577-I581 WeakPolarHBondContact O-CB 3.19Å; M577-I581 VanDerWaalsContact O-CG1 3.28Å; M577-I581 WeakPolarHBondContact O-CG1 3.32Å; M577-I581 PolarHBondContact O-N 3.1Å; M577-I581 VanDerWaalsContact O-N 3.13Å; V578-I581 PolarHBondContact O-N 3.41Å; V578-I581 VanDerWaalsContact O-N 3.11Å; V579-I581 PolarHBondContact O-N 2.87Å; I581-E583 VanDerWaalsContact C-N 3.34Å; I581-E583 PolarHBondContact O-N 2.81Å; I581-K584 CarbonylContact O-C 3.52Å; I581-K584 WeakPolarHBondContact O-CA 3.19Å; I581-K584 WeakPolarHBondContact O-CB 3.46Å; I581-K584 PolarHBondContact O-N 2.78Å; I581-M585 WeakPolarHBondContact O-CG 3.33Å; I581-M585 PolarHBondContact O-N 3.43Å
582N33.7Very low34.9Very low65 Ų6553 Ų5335%0.34828%0.275SS..Hα-helixtrans-61.8-40.5177.2-70-7.9000111.6V578 V579 K584 M585 D586V578-N582 PolarHBondContact O-N 3.04Å; V579-N582 PolarHBondContact O-N 2.83Å; N582-K584 VanDerWaalsContact C-N 3.25Å; N582-K584 PolarHBondContact O-N 3.08Å; N582-M585 CarbonylContact O-C 3.5Å; N582-M585 WeakPolarHBondContact O-CA 3.35Å; N582-M585 VanDerWaalsContact O-CB 3.29Å; N582-M585 WeakPolarHBondContact O-CB 3.37Å; N582-M585 PolarHBondContact O-N 3.06Å; N582-D586 PolarHBondContact O-N 3.34Å
583E34.8Very low34.1Very low22 Ų2256.8 Ų56.810%0.10329%0.286CS..Hα-helixtrans-60.9-34.2173.1-69.6160.4172.700112.2V579 I581 M585 L587 Y1003V579-E583 VanDerWaalsContact CG1-CD 3.44Å; V579-E583 HydrophobicContact CG1-CG 4.45Å; V579-E583 WeakPolarHBondContact CG1-OE1 3.11Å; V579-E583 WeakPolarHBondContact O-CB 3.22Å; V579-E583 WeakPolarHBondContact O-CG 3.26Å; V579-E583 PolarHBondContact O-N 2.94Å; I581-E583 VanDerWaalsContact C-N 3.34Å; I581-E583 PolarHBondContact O-N 2.81Å; E583-M585 VanDerWaalsContact C-N 3.26Å; E583-M585 PolarHBondContact O-N 2.79Å; E583-L587 WeakPolarHBondContact O-CB 3.4Å; E583-L587 WeakPolarHBondContact O-CD1 3.37Å; E583-L587 WeakPolarHBondContact O-CG 3.23Å; E583-L587 PolarHBondContact O-N 3.33Å; E583-Y1003 WeakPolarHBondContact OE1-CB 3.37Å; E583-Y1003 WeakPolarHBondContact OE2-CD2 3.32Å
584K36.4Very low33.5Very low114 Ų11459.6 Ų59.650%0.49629%0.292SS..Hα-helixtrans-76.6-12.8172.9-71.5174.2-169.3150.40113.3V580 I581 N582 K588V580-K584 WeakPolarHBondContact O-CD 3.4Å; V580-K584 WeakPolarHBondContact O-CE 3.47Å; V580-K584 VanDerWaalsContact O-CG 3.28Å; V580-K584 WeakPolarHBondContact O-CG 3.19Å; I581-K584 CarbonylContact O-C 3.52Å; I581-K584 WeakPolarHBondContact O-CA 3.19Å; I581-K584 WeakPolarHBondContact O-CB 3.46Å; I581-K584 PolarHBondContact O-N 2.78Å; N582-K584 VanDerWaalsContact C-N 3.25Å; N582-K584 PolarHBondContact O-N 3.08Å; K584-K588 WeakPolarHBondContact O-CG 3.24Å
585M32.9Very low32.8Very low8 Ų863.1 Ų63.14%0.03931%0.309CS..Hα-helixtrans-85.4-46.6167.9-59.6-60.9-9000110.1R441 S444 L445 I581 N582 E583 L587 K588 Q589R441-M585 HydrophobicContact CG-SD 4.4Å; R441-M585 WeakPolarHBondContact O-CE 3.46Å; S444-M585 WeakPolarHBondContact OG-CG 3.33Å; L445-M585 HydrophobicContact CB-CE 3.66Å; L445-M585 HydrophobicContact CD1-CE 4.21Å; L445-M585 HydrophobicContact CG-CE 4.48Å; I581-M585 WeakPolarHBondContact O-CG 3.33Å; I581-M585 PolarHBondContact O-N 3.43Å; N582-M585 CarbonylContact O-C 3.5Å; N582-M585 WeakPolarHBondContact O-CA 3.35Å; N582-M585 VanDerWaalsContact O-CB 3.29Å; N582-M585 WeakPolarHBondContact O-CB 3.37Å; N582-M585 PolarHBondContact O-N 3.06Å; E583-M585 VanDerWaalsContact C-N 3.26Å; E583-M585 PolarHBondContact O-N 2.79Å; M585-L587 PolarHBondContact O-N 2.79Å; M585-K588 CarbonylContact O-C 3.56Å; M585-K588 WeakPolarHBondContact O-CA 3.34Å; M585-K588 WeakPolarHBondContact O-CB 3.24Å; M585-K588 PolarHBondContact O-N 3.27Å; M585-Q589 WeakPolarHBondContact O-CG 3.48Å; M585-Q589 PolarHBondContact O-N 3.1Å
586D31.4Very low32.2Very low58 Ų5865.7 Ų65.731%0.3132%0.32SS..Hα-helixtrans-63.6-42.8177.2-67.3-35.7000111.9N582 K588 Q589 N590N582-D586 PolarHBondContact O-N 3.34Å; D586-K588 PolarHBondContact O-N 3.5Å; D586-Q589 PolarHBondContact O-N 3.05Å; D586-N590 VanDerWaalsContact O-CB 3.29Å; D586-N590 WeakPolarHBondContact O-CB 3.48Å; D586-N590 PolarHBondContact O-N 2.81Å
587L33.4Very low31.7Very low90 Ų9067.5 Ų67.547%0.47133%0.327SS..Hα-helixtrans-61.8-25.6171.9-72.9167.4000112.9E583 M585 C591E583-L587 WeakPolarHBondContact O-CB 3.4Å; E583-L587 WeakPolarHBondContact O-CD1 3.37Å; E583-L587 WeakPolarHBondContact O-CG 3.23Å; E583-L587 PolarHBondContact O-N 3.33Å; M585-L587 PolarHBondContact O-N 2.79Å; L587-C591 PolarHBondContact O-SG 3.11Å
588K33.8Very low31.2Very low65 Ų6566.5 Ų66.528%0.28333%0.33SS..Hα-helixtrans-82.7-45.1171.8-87.8-170.7162.3-141.60112.5L402 K584 M585 D586 N590 C591 N592L402-K588 VanDerWaalsContact CD2-NZ 3.34Å; K584-K588 WeakPolarHBondContact O-CG 3.24Å; M585-K588 CarbonylContact O-C 3.56Å; M585-K588 WeakPolarHBondContact O-CA 3.34Å; M585-K588 WeakPolarHBondContact O-CB 3.24Å; M585-K588 PolarHBondContact O-N 3.27Å; D586-K588 PolarHBondContact O-N 3.5Å; K588-N590 VanDerWaalsContact C-N 3.32Å; K588-N590 PolarHBondContact O-N 3.31Å; K588-C591 WeakPolarHBondContact O-CB 3.34Å; K588-C591 PolarHBondContact O-N 3.33Å; K588-C591 VanDerWaalsContact O-N 3.12Å; K588-N592 PolarHBondContact O-N 2.97Å; K588-N592 VanDerWaalsContact O-N 3.09Å; K588-N592 PolarHBondContact O-OD1 3.43Å
589Q31.8Very low30.6Very low36 Ų3673.5 Ų73.517%0.16837%0.367CS..Hα-helixtrans-64.8-37.2179.5-69.4-168.421.400111.3M585 D586 C591 N592 R593M585-Q589 WeakPolarHBondContact O-CG 3.48Å; M585-Q589 PolarHBondContact O-N 3.1Å; D586-Q589 PolarHBondContact O-N 3.05Å; Q589-C591 VanDerWaalsContact C-N 3.33Å; Q589-C591 PolarHBondContact O-N 2.85Å; Q589-N592 PolarHBondContact O-N 3.42Å; Q589-R593 VanDerWaalsContact O-CB 3.3Å; Q589-R593 WeakPolarHBondContact O-CB 3.39Å; Q589-R593 WeakPolarHBondContact O-CG 3.36Å; Q589-R593 PolarHBondContact O-N 3.17Å
590N28.1Very low30.1Very low61 Ų6183.7 Ų83.733%0.32641%0.405SS..Hα-helixtrans-71.9-23.3173.7-74.9-22.6000113.4D586 K588 R594D586-N590 VanDerWaalsContact O-CB 3.29Å; D586-N590 WeakPolarHBondContact O-CB 3.48Å; D586-N590 PolarHBondContact O-N 2.81Å; K588-N590 VanDerWaalsContact C-N 3.32Å; K588-N590 PolarHBondContact O-N 3.31Å; N590-R594 WeakPolarHBondContact O-CB 3.29Å; N590-R594 WeakPolarHBondContact O-CG 3.5Å; N590-R594 PolarHBondContact O-N 2.65Å
591C30.9Very low29.4Very low87 Ų8792.9 Ų92.959%0.58843%0.434SS*.Hα-helixtrans-69-43.3167.2-80.10000111.7L587 K588 Q589L587-C591 PolarHBondContact O-SG 3.11Å; K588-C591 WeakPolarHBondContact O-CB 3.34Å; K588-C591 PolarHBondContact O-N 3.33Å; K588-C591 VanDerWaalsContact O-N 3.12Å; Q589-C591 VanDerWaalsContact C-N 3.33Å; Q589-C591 PolarHBondContact O-N 2.85Å
592N28.1Very low28.8Very low52 Ų5295.3 Ų95.328%0.27845%0.454SS..Hα-helixtrans-75.8-37.6-179.9-7025.4000112.9H407 K588 Q589 R594H407-N592 PolarHBondContact CD2-ND2 3.22Å; H407-N592 PolarHBondContact NE2-ND2 3.09Å; K588-N592 PolarHBondContact O-N 2.97Å; K588-N592 VanDerWaalsContact O-N 3.09Å; K588-N592 PolarHBondContact O-OD1 3.43Å; Q589-N592 PolarHBondContact O-N 3.42Å; N592-R594 VanDerWaalsContact C-N 3.31Å; N592-R594 PolarHBondContact O-N 3.34Å
593R25.7Very low28.5Very low175 Ų17597.7 Ų97.766%0.6647%0.467SS*.Hα-helixtrans-74-14.5176.9-74.3-179.3172.3159.50.5114Q589 I595Q589-R593 VanDerWaalsContact O-CB 3.3Å; Q589-R593 WeakPolarHBondContact O-CB 3.39Å; Q589-R593 WeakPolarHBondContact O-CG 3.36Å; Q589-R593 PolarHBondContact O-N 3.17Å; R593-I595 WeakPolarHBondContact O-CD1 3.13Å; R593-I595 PolarHBondContact O-N 2.88Å
594R27Very low28.2Very low129 Ų129101 Ų10149%0.48749%0.492SS..SBendtrans-80.864.3167.7-82.2-177.2162.8-175.8-0.9111N590 N592 K1097N590-R594 WeakPolarHBondContact O-CB 3.29Å; N590-R594 WeakPolarHBondContact O-CG 3.5Å; N590-R594 PolarHBondContact O-N 2.65Å; N592-R594 VanDerWaalsContact C-N 3.31Å; N592-R594 PolarHBondContact O-N 3.34Å; R594-K1097 WeakPolarHBondContact O-CE 3.39Å; R594-K1097 PolarHBondContact O-NZ 3.3Å
595I25.3Very low27.7Very low89 Ų8999.7 Ų99.746%0.45649%0.494SS..  trans-62.3152.8177.7-41.7106.4000110.8R593 H597R593-I595 WeakPolarHBondContact O-CD1 3.13Å; R593-I595 PolarHBondContact O-N 2.88Å; I595-H597 VanDerWaalsContact C-N 3.35Å; I595-H597 PolarHBondContact O-N 3.47Å
596H26Very low27.4Very low74 Ų74104 Ų10434%0.34352%0.517SS..  trans-89.371.8161.7-97.7-8000112.3S1094 K1096H596-S1094 PolarHBondContact CD2-OG 2.95Å; H596-S1094 PolarHBondContact CE1-OG 3.04Å; H596-S1094 VanDerWaalsContact NE2-CB 3.25Å; H596-S1094 WeakPolarHBondContact NE2-CB 3.47Å; H596-S1094 PolarHBondContact NE2-OG 3.18Å; H596-K1096 WeakPolarHBondContact CE1-CB 3.31Å; H596-K1096 WeakPolarHBondContact NE2-CG 3.28Å; H596-K1096 PolarHBondContact NE2-N 2.93Å; H596-K1096 VanDerWaalsContact NE2-N 3.15Å; H596-K1096 PolarHBondContact O-NZ 3.43Å
597H24.7Very low27.1Very low81 Ų81103.7 Ų103.738%0.37552%0.52SS..  trans-66.6179.4154.7-65.7-34.8000111.6K359 I595 K1096K359-H597 WeakPolarHBondContact CD-CE1 3.17Å; K359-H597 VanDerWaalsContact CE-CE1 3.4Å; K359-H597 WeakPolarHBondContact CE-CE1 3.25Å; K359-H597 WeakPolarHBondContact CE-NE2 3.21Å; K359-H597 PolarHBondContact NZ-CE1 3.11Å; K359-H597 PolarHBondContact NZ-NE2 2.96Å; I595-H597 VanDerWaalsContact C-N 3.35Å; I595-H597 PolarHBondContact O-N 3.47Å; H597-K1096 PolarHBondContact O-NZ 2.84Å
598S24.9Very low26.7Very low76 Ų76101.3 Ų101.353%0.53151%0.511SS..  trans59128.3-177.958.50000118.8K1096S598-K1096 PolarHBondContact O-NZ 2.86Å
599D25Very low26.5Very low152 Ų152102.6 Ų102.681%0.81352%0.519SS*.  cis-156.6166.5-16.2-89.8-44000107.5R601D599-R601 PolarHBondContact O-N 2.91Å
600Y23.2Very low26.2Very low235 Ų235106.5 Ų106.592%0.92253%0.532SS*.  trans-72.5112.9159-109.4-100.9000108.8
601R23.4Very low26Very low244 Ų244110.5 Ų110.592%0.92154%0.543SS*.  trans-164153.8151.1-112.9165.1-169.8-169.80.8111.9D599D599-R601 PolarHBondContact O-N 2.91Å
602S25Very low25.7Very low88 Ų88112.4 Ų112.462%0.61555%0.548SS*.  trans-78.9-175.7-178.754.70000112.7
603D26.2Very low25.7Very low115 Ų115114.3 Ų114.362%0.61556%0.561SS**  trans94.3134.7161.5-44.8-14.3000117.6
604S27.9Very low25.7Very low92 Ų92111.3 Ų111.364%0.64357%0.567SS**  trans68.573.4167.866.20000119.9Y100 D606Y100-S604 VanDerWaalsContact CE2-N 3.32Å; Y100-S604 VanDerWaalsContact CZ-CA 3.44Å; Y100-S604 VanDerWaalsContact OH-CA 3.31Å; Y100-S604 WeakPolarHBondContact OH-CA 3.41Å; Y100-S604 PolarHBondContact OH-N 2.86Å; S604-D606 PolarHBondContact O-N 3.44Å
605V26.7Very low25.6Very low87 Ų87109.6 Ų109.653%0.52756%0.564SS.*  trans-87.894154.8174.20000109.2Y100Y100-V605 WeakPolarHBondContact CB-O 3.42Å; Y100-V605 VanDerWaalsContact CD1-O 3.24Å; Y100-V605 WeakPolarHBondContact CD1-O 3.3Å; Y100-V605 HydrophobicContact CD2-CB 3.71Å; Y100-V605 HydrophobicContact CD2-CG2 4.4Å; Y100-V605 VanDerWaalsContact CD2-N 3.31Å; Y100-V605 VanDerWaalsContact CE2-N 3.33Å; Y100-V605 HydrophobicContact CG-CB 3.94Å
606D25.8Very low25.6Very low97 Ų97113.2 Ų113.252%0.51957%0.572SS.*  trans-86.8142.4169.7-163.12.9000110.4S604 S608 K1147S604-D606 PolarHBondContact O-N 3.44Å; D606-S608 PolarHBondContact O-N 3.09Å; D606-S608 VanDerWaalsContact O-N 3.14Å; D606-K1147 IonicContact OD2-NZ 2.65Å
607S25.9Very low25.5Very low53 Ų53120.5 Ų120.537%0.37160%0.598SS.*SBendtrans-94.459.8-156.454.90000114.6
608S25.2Very low25.6Very low40 Ų40121.1 Ų121.128%0.2860%0.604SS.*  trans-139.531.1178.478.60000120.6D606 D1144 N1146D606-S608 PolarHBondContact O-N 3.09Å; D606-S608 VanDerWaalsContact O-N 3.14Å; S608-D1144 PolarHBondContact OG-OD1 3.03Å; S608-N1146 WeakPolarHBondContact CB-ND2 3.48Å; S608-N1146 PolarHBondContact OG-ND2 3.44Å
609I30.1Very low25.5Very low91 Ų91119.2 Ų119.247%0.46759%0.588SS.*  trans-122.880.9160.1-51.5177.5000110.6T1140I609-T1140 WeakPolarHBondContact CD1-O 3.37Å
610R24.8Very low25.6Very low118 Ų118115.8 Ų115.845%0.44557%0.574SS.*  trans-105.1153.5165-98.9-176.2161.7-128.6-4.9109.7N92 L93N92-R610 PolarHBondContact O-NH2 2.94Å; L93-R610 VanDerWaalsContact CA-NH2 3.33Å
611R24.3Very low25.7Very low146 Ų146106.6 Ų106.655%0.55154%0.54SS*.SBendtrans88145.6-177.6-53.6-174.8-177.698.4-3.7115.5T1165 F1166R611-T1165 PolarHBondContact NH1-O 3.05Å; R611-F1166 PolarHBondContact NE-O 3.16Å; R611-F1166 VanDerWaalsContact NE-O 3.15Å; R611-F1166 PolarHBondContact NH1-O 3.12Å; R611-F1166 PolarHBondContact NH2-O 3.06Å; R611-F1166 PolarHBondContact NH2-OXT 3.34Å
612N25.4Very low25.7Very low127 Ų12795.4 Ų95.468%0.67950%0.498SS*.  trans55.469.6161.9-592.2000118.9
613T26.9Very low25.8Very low91 Ų9195.5 Ų95.556%0.55849%0.489SS*.  trans-119.859.313556.30000111.2E615 M1141T613-E615 PolarHBondContact O-N 2.88Å; T613-E615 VanDerWaalsContact O-N 3.11Å; T613-M1141 HydrophobicContact CG2-CE 3.76Å; T613-M1141 HydrophobicContact CG2-SD 4.41Å
614S25.5Very low25.7Very low112 Ų11292 Ų9278%0.78347%0.47SS*.  trans-74.537.9147.461.10000110.4
615E25.3Very low25.6Very low93 Ų9392.1 Ų92.144%0.43546%0.463SS..  trans-124.299.7-178.3-82.4-110110.500106.9T613T613-E615 PolarHBondContact O-N 2.88Å; T613-E615 VanDerWaalsContact O-N 3.11Å
616R26.1Very low25.5Very low165 Ų16591.5 Ų91.562%0.62346%0.463SS*.  trans57.284132.6-53.4175.6-163.5-84.3-3.7115.7D618R616-D618 HydrophobicContact CB-CB 3.78Å; R616-D618 WeakPolarHBondContact CD-OD2 3.47Å; R616-D618 HydrophobicContact CG-CB 4.19Å; R616-D618 VanDerWaalsContact CG-CG 3.48Å; R616-D618 WeakPolarHBondContact CG-OD2 3.45Å; R616-D618 IonicContact CZ-OD2 2.8Å; R616-D618 IonicContact NE-OD2 2.66Å; R616-D618 IonicContact NH1-OD2 3.07Å; R616-D618 PolarHBondContact NH1-OD2 3.4Å; R616-D618 PolarHBondContact O-N 3.3Å; R616-D618 VanDerWaalsContact O-N 3.11Å
617Y23.9Very low25.5Very low228 Ų22893.3 Ų93.389%0.89447%0.472SS*.  -73.851.9124.4-84-88.3000110M619Y617-M619 PolarHBondContact O-N 2.98Å
618D26.7Very low25.6Very low94 Ų9499 Ų9950%0.50349%0.491SS..  trans-69.178.8152.8-66.4-5.7000105R616R616-D618 HydrophobicContact CB-CB 3.78Å; R616-D618 WeakPolarHBondContact CD-OD2 3.47Å; R616-D618 HydrophobicContact CG-CB 4.19Å; R616-D618 VanDerWaalsContact CG-CG 3.48Å; R616-D618 WeakPolarHBondContact CG-OD2 3.45Å; R616-D618 IonicContact CZ-OD2 2.8Å; R616-D618 IonicContact NE-OD2 2.66Å; R616-D618 IonicContact NH1-OD2 3.07Å; R616-D618 PolarHBondContact NH1-OD2 3.4Å; R616-D618 PolarHBondContact O-N 3.3Å; R616-D618 VanDerWaalsContact O-N 3.11Å
619M23.3Very low25.6Very low36 Ų36102.6 Ų102.618%0.17750%0.504CS..  trans-39.6152.3130.5-69.4-162.863.900109.3N346 Q349 L350 Y617 I621N346-M619 HydrophobicContact CB-SD 4.03Å; N346-M619 WeakPolarHBondContact ND2-CB 3.5Å; N346-M619 WeakPolarHBondContact O-CE 3.39Å; N346-M619 VanDerWaalsContact O-SD 3.37Å; N346-M619 WeakPolarHBondContact OD1-CB 3.47Å; Q349-M619 HydrophobicContact CB-CE 3.6Å; Q349-M619 HydrophobicContact CG-CE 3.85Å; L350-M619 HydrophobicContact CB-CE 4.15Å; L350-M619 HydrophobicContact CB-SD 3.88Å; Y617-M619 PolarHBondContact O-N 2.98Å; M619-I621 HydrophobicContact CB-CD1 4.36Å; M619-I621 WeakPolarHBondContact O-CD1 3.18Å; M619-I621 PolarHBondContact O-N 3.22Å
620P26.1Very low25.4Very low80 Ų80105.6 Ų105.652%0.51952%0.521SS..  trans-69.184.2166.830.6-32000108.5I622P620-I622 WeakPolarHBondContact O-CB 3.39Å; P620-I622 VanDerWaalsContact O-CG1 3.29Å; P620-I622 WeakPolarHBondContact O-CG1 3.35Å; P620-I622 PolarHBondContact O-N 3.16Å
621I24.7Very low25.5Very low42 Ų42107.7 Ų107.722%0.21554%0.536CS..  trans-64.180.5154.6-47.162000105.1L342 N346 M619 H623L342-I621 HydrophobicContact CB-CG2 3.23Å; L342-I621 HydrophobicContact CG-CG2 4.34Å; N346-I621 VanDerWaalsContact CG-CG1 3.49Å; N346-I621 VanDerWaalsContact ND2-CD1 3.3Å; N346-I621 WeakPolarHBondContact ND2-CD1 3.46Å; N346-I621 WeakPolarHBondContact ND2-CG1 3.46Å; N346-I621 WeakPolarHBondContact OD1-CA 3.36Å; N346-I621 WeakPolarHBondContact OD1-CD1 3.48Å; N346-I621 VanDerWaalsContact OD1-CG1 3.25Å; N346-I621 WeakPolarHBondContact OD1-CG1 3.27Å; N346-I621 PolarHBondContact OD1-N 3.01Å; M619-I621 HydrophobicContact CB-CD1 4.36Å; M619-I621 WeakPolarHBondContact O-CD1 3.18Å; M619-I621 PolarHBondContact O-N 3.22Å; I621-H623 HydrophobicContact CG2-CB 4.38Å; I621-H623 WeakPolarHBondContact CG2-CD2 3.49Å; I621-H623 WeakPolarHBondContact CG2-NE2 3.21Å; I621-H623 PolarHBondContact O-N 3.44Å
622I23.5Very low25.6Very low9 Ų9107.2 Ų107.25%0.04654%0.544CS..  2627.2103.5-77.4169.5000116.8Y338 L342 I345 H396 P620Y338-I622 PolarHBondContact OH-O 3.43Å; L342-I622 HydrophobicContact CB-CG2 4.26Å; L342-I622 HydrophobicContact CD2-CG2 3.9Å; L342-I622 WeakPolarHBondContact CD2-O 3.27Å; L342-I622 HydrophobicContact CG-CG2 4.37Å; L342-I622 WeakPolarHBondContact CG-O 3.05Å; I345-I622 HydrophobicContact CB-CG2 3.55Å; I345-I622 HydrophobicContact CD1-CG2 3.47Å; I345-I622 VanDerWaalsContact CD1-CG2 3.47Å; I345-I622 HydrophobicContact CG1-CG2 4.07Å; I345-I622 HydrophobicContact CG2-CB 4.25Å; I345-I622 HydrophobicContact CG2-CD1 3.48Å; I345-I622 VanDerWaalsContact CG2-CD1 3.48Å; I345-I622 HydrophobicContact CG2-CG1 4.37Å; I345-I622 HydrophobicContact CG2-CG2 3.54Å; H396-I622 HydrophobicContact CB-CB 4.05Å; H396-I622 HydrophobicContact CB-CD1 4Å; H396-I622 HydrophobicContact CB-CG1 3.71Å; H396-I622 HydrophobicContact CB-CG2 3.39Å; H396-I622 PolarHBondContact CD2-O 2.91Å; H396-I622 VanDerWaalsContact CD2-O 3.3Å; H396-I622 WeakPolarHBondContact CE1-CG1 3.42Å; P620-I622 WeakPolarHBondContact O-CB 3.39Å; P620-I622 VanDerWaalsContact O-CG1 3.29Å; P620-I622 WeakPolarHBondContact O-CG1 3.35Å; P620-I622 PolarHBondContact O-N 3.16Å
623H26.6Very low25.6Very low89 Ų89109 Ų10941%0.41255%0.553SS.*  trans-92108.7175.7-85.9-63.8000111.3L342 I621L342-H623 WeakPolarHBondContact CD1-ND1 3.45Å; I621-H623 HydrophobicContact CG2-CB 4.38Å; I621-H623 WeakPolarHBondContact CG2-CD2 3.49Å; I621-H623 WeakPolarHBondContact CG2-NE2 3.21Å; I621-H623 PolarHBondContact O-N 3.44Å
624L24.9Very low25.5Very low42 Ų42107.1 Ų107.122%0.2255%0.552CS.*  trans-57.5179.7144-61.350000108.8Y338 D392 H396Y338-L624 HydrophobicContact CD1-CB 4.21Å; Y338-L624 HydrophobicContact CD2-CD2 4.05Å; Y338-L624 HydrophobicContact CE1-CB 3.48Å; Y338-L624 VanDerWaalsContact CE1-CB 3.48Å; Y338-L624 HydrophobicContact CE1-CD1 4.43Å; Y338-L624 HydrophobicContact CE1-CG 4.32Å; Y338-L624 VanDerWaalsContact CE1-N 3.32Å; Y338-L624 WeakPolarHBondContact CE1-O 3.43Å; Y338-L624 HydrophobicContact CE2-CB 3.87Å; Y338-L624 HydrophobicContact CE2-CD1 3.68Å; Y338-L624 HydrophobicContact CE2-CD2 3.47Å; Y338-L624 VanDerWaalsContact CE2-CD2 3.47Å; Y338-L624 HydrophobicContact CE2-CG 3.84Å; Y338-L624 VanDerWaalsContact CZ-CD1 3.42Å; Y338-L624 VanDerWaalsContact CZ-N 3.35Å; Y338-L624 WeakPolarHBondContact OH-CB 3.33Å; Y338-L624 WeakPolarHBondContact OH-CD1 3.38Å; Y338-L624 PolarHBondContact OH-N 2.93Å; D392-L624 HydrophobicContact CB-CD1 3.39Å; D392-L624 HydrophobicContact CB-CD2 3.54Å; D392-L624 HydrophobicContact CB-CG 3.46Å; D392-L624 VanDerWaalsContact CB-CG 3.46Å; H396-L624 VanDerWaalsContact CD2-CD1 3.41Å; H396-L624 WeakPolarHBondContact CD2-CD1 3.21Å
625D26.3Very low25.4Very low95 Ų95106.5 Ų106.551%0.50855%0.548SS..  trans-125.4147.9140.5-152.5-22.5000109.1N627D625-N627 PolarHBondContact O-N 3.48Å
626S24.1Very low25.3Very low74 Ų74105.2 Ų105.252%0.51755%0.549SS..THydrogen-bonded Turntrans-79.330.3-162.3510000115.1
627N26.1Very low25.2Very low134 Ų134105 Ų10572%0.71755%0.549SS*.THydrogen-bonded Turntrans-108.612178.8-72.5-68.6000114.2D625 M629D625-N627 PolarHBondContact O-N 3.48Å; N627-M629 CarbonylContact C-O 3.4Å
628K27.4Very low25.3Very low174 Ų174104 Ų10476%0.75755%0.545SS*.SBendtrans-112.2-6.3174.8-86.8173.7-179.7155.70116
629M24.7Very low25.3Very low115 Ų115103.9 Ų103.957%0.56754%0.542SS*.THydrogen-bonded Turntrans-66.6150.4142.2-76.9-163.316700108.5T390 N627T390-M629 HydrophobicContact CG2-CE 3.77Å; T390-M629 HydrophobicContact CG2-SD 4.42Å; N627-M629 CarbonylContact C-O 3.4Å
630N26.2Very low25.4Very low154 Ų154105.1 Ų105.182%0.82455%0.548SS*.THydrogen-bonded Turntrans70.127.6-177-56.5-20.6000117.3
631H27.1Very low25.5Very low161 Ų161105.2 Ų105.275%0.74555%0.551SS**SBendtrans-135.698.4140-90.5-47.7000114.3
632L27.5Very low25.7Very low137 Ų137109.7 Ų109.772%0.71757%0.571SS**  trans66.4109.7135.1-56.9170.5000119.1G634L632-G634 PolarHBondContact O-N 3.32Å; L632-G634 VanDerWaalsContact O-N 3.07Å
633N25.1Very low25.8Very low164 Ų164116.1 Ų116.188%0.87760%0.595SS**SBend16.782.9104.7-70.9-10.1000116.7
634G23.4Very low25.8Very low51 Ų51120.6 Ų120.653%0.52661%0.609SS.*  trans87.3157146.900000118.3L632L632-G634 PolarHBondContact O-N 3.32Å; L632-G634 VanDerWaalsContact O-N 3.07Å
635S24.6Very low26.1Very low100 Ų100128.5 Ų128.570%0.69964%0.641SS**  trans68.8142.3169.774.90000119.3
636S23.4Very low26.3Very low66 Ų66125.5 Ų125.546%0.46263%0.627SS.*  trans54.192.3164.364.20000120.7
637Y23.5Very low26.4Very low161 Ų161126.1 Ų126.163%0.63163%0.625SS**SBend-148.3-4.3114.1-126.4-81.8000117.1I640Y637-I640 HydrophobicContact CD1-CB 3.98Å; Y637-I640 HydrophobicContact CD1-CD1 4.03Å; Y637-I640 HydrophobicContact CD1-CG1 4.42Å; Y637-I640 HydrophobicContact CD1-CG2 4.28Å; Y637-I640 HydrophobicContact CD2-CD1 4Å; Y637-I640 HydrophobicContact CE1-CB 3.87Å; Y637-I640 HydrophobicContact CE1-CD1 3.59Å; Y637-I640 HydrophobicContact CE1-CG1 4.24Å; Y637-I640 HydrophobicContact CE1-CG2 3.72Å; Y637-I640 HydrophobicContact CE2-CD1 3.57Å; Y637-I640 HydrophobicContact CG-CD1 4.22Å
638Y25.5Very low26.4Very low205 Ų205129.7 Ų129.780%0.80463%0.634SS**THydrogen-bonded Turntrans-86.2-8.9157.6-114.5-77.4000114.3I640 S641Y638-I640 PolarHBondContact O-N 3.03Å; Y638-I640 VanDerWaalsContact O-N 3.07Å; Y638-S641 PolarHBondContact O-OG 3.21Å
639Q26.8Very low26.3Very low93 Ų93125.4 Ų125.444%0.43563%0.625SS.*Hα-helixtrans-682.9161.5-74.5178.5-47.700113Y643Q639-Y643 VanDerWaalsContact O-CB 3.29Å; Q639-Y643 WeakPolarHBondContact O-CB 3.37Å; Q639-Y643 PolarHBondContact O-N 3.43Å
640I26.1Very low26.3Very low62 Ų62124.4 Ų124.432%0.31863%0.629SS.*Hα-helixtrans-96-5.8179.7-72.1-178.5000115.1Y637 Y638 K866Y637-I640 HydrophobicContact CD1-CB 3.98Å; Y637-I640 HydrophobicContact CD1-CD1 4.03Å; Y637-I640 HydrophobicContact CD1-CG1 4.42Å; Y637-I640 HydrophobicContact CD1-CG2 4.28Å; Y637-I640 HydrophobicContact CD2-CD1 4Å; Y637-I640 HydrophobicContact CE1-CB 3.87Å; Y637-I640 HydrophobicContact CE1-CD1 3.59Å; Y637-I640 HydrophobicContact CE1-CG1 4.24Å; Y637-I640 HydrophobicContact CE1-CG2 3.72Å; Y637-I640 HydrophobicContact CE2-CD1 3.57Å; Y637-I640 HydrophobicContact CG-CD1 4.22Å; Y638-I640 PolarHBondContact O-N 3.03Å; Y638-I640 VanDerWaalsContact O-N 3.07Å; I640-K866 VanDerWaalsContact C-NZ 3.3Å; I640-K866 VanDerWaalsContact CA-NZ 3.3Å; I640-K866 HydrophobicContact CB-CD 4.43Å; I640-K866 HydrophobicContact CD1-CD 4.16Å; I640-K866 HydrophobicContact CG1-CD 3.84Å; I640-K866 HydrophobicContact CG2-CD 4.1Å; I640-K866 PolarHBondContact O-NZ 3.4Å
641S27.7Very low26.2Very low81 Ų81120.1 Ų120.157%0.56660%0.604SS**Hα-helixtrans-79.4-47.3150.8550000111.6Y638Y638-S641 PolarHBondContact O-OG 3.21Å
642E29Very low26.1Very low136 Ų136116 Ų11664%0.63659%0.593SS**Hα-helixtrans-62.6-53.6-176.9-66.7-155.3122.200113.7R644 K645E642-R644 PolarHBondContact O-N 3.07Å; E642-K645 PolarHBondContact O-N 2.92Å
643Y25.9Very low26.2Very low144 Ų144115.7 Ų115.757%0.56559%0.592SS**THydrogen-bonded Turntrans-78.730.4-170.2-125-106.2000114.4Q639 S646 K866Q639-Y643 VanDerWaalsContact O-CB 3.29Å; Q639-Y643 WeakPolarHBondContact O-CB 3.37Å; Q639-Y643 PolarHBondContact O-N 3.43Å; Y643-S646 WeakPolarHBondContact CD1-OG 3.22Å; Y643-S646 PolarHBondContact O-OG 3.24Å; Y643-K866 VanDerWaalsContact C-CE 3.47Å; Y643-K866 WeakPolarHBondContact O-CE 3.43Å; Y643-K866 PolarHBondContact O-NZ 3.39Å; Y643-K866 VanDerWaalsContact O-NZ 3.1Å
644R27Very low26.2Very low184 Ų184112.5 Ų112.569%0.69457%0.574SS**THydrogen-bonded Turntrans-118.52.6161.1-120.8174.4-159-177.35.9113E642 N865 K866E642-R644 PolarHBondContact O-N 3.07Å; R644-N865 PolarHBondContact NH2-O 3.45Å; R644-K866 VanDerWaalsContact CG-CE 3.46Å; R644-K866 VanDerWaalsContact N-NZ 3.2Å
645K29.7Very low26.3Very low208 Ų208115 Ų11590%0.90458%0.582SS**SBendtrans-83.51.6145.1-70.7-171.2175.6-178.70112.4E642E642-K645 PolarHBondContact O-N 2.92Å
646S30.7Very low26.6Very low31 Ų31119.7 Ų119.722%0.21759%0.589CS.*SBendtrans-79.4159.4170.575.60000111.3Y643 K648Y643-S646 WeakPolarHBondContact CD1-OG 3.22Å; Y643-S646 PolarHBondContact O-OG 3.24Å; S646-K648 VanDerWaalsContact C-N 3.29Å; S646-K648 PolarHBondContact O-N 3.47Å; S646-K648 VanDerWaalsContact O-N 3.08Å
647L27.4Very low26.9Very low87 Ų87121.5 Ų121.546%0.45560%0.602SS.*  trans58.230.6156.4-60.5169.1000116.6
648K25.4Very low27Very low210 Ų210120.9 Ų120.991%0.91362%0.615SS**  trans-83.621144.4-129.5-171.8-176.5-166.40112.1S646 C650S646-K648 VanDerWaalsContact C-N 3.29Å; S646-K648 PolarHBondContact O-N 3.47Å; S646-K648 VanDerWaalsContact O-N 3.08Å; K648-C650 VanDerWaalsContact C-N 3.33Å; K648-C650 PolarHBondContact O-N 3.24Å
649S25.1Very low26.9Very low83 Ų83120.8 Ų120.858%0.5861%0.613SS**  trans-86.873.3169.458.70000109.7Q651S649-Q651 PolarHBondContact O-N 2.86Å
650C24.1Very low27.1Very low95 Ų95127.4 Ų127.464%0.64263%0.634SS**  trans-95.384171.9-780000109.3K648K648-C650 VanDerWaalsContact C-N 3.33Å; K648-C650 PolarHBondContact O-N 3.24Å
651Q25.1Very low27.2Very low63 Ų63133.2 Ų133.229%0.29465%0.653SS.*  trans60.788.6134.9-42.4120.5-34.600119.2S649 M871 E872S649-Q651 PolarHBondContact O-N 2.86Å; Q651-M871 PolarHBondContact NE2-O 3.38Å; Q651-E872 PolarHBondContact NE2-O 3.3Å; Q651-E872 VanDerWaalsContact NE2-O 3.09Å; Q651-E872 PolarHBondContact OE1-O 3.45Å
652S26Very low27.1Very low75 Ų75133 Ų13352%0.52465%0.651SS.*  -138.8153.1123.275.30000112H873S652-H873 WeakPolarHBondContact CA-NE2 3.4Å
653D27.8Very low26.8Very low130 Ų130131.2 Ų131.270%0.69565%0.646SS**  trans80.156.4156.2-44.6-42.7000118H873D653-H873 PolarHBondContact N-CE1 3.29Å; D653-H873 VanDerWaalsContact N-CE1 3.33Å; D653-H873 PolarHBondContact N-NE2 2.91Å; D653-H873 IonicContact OD1-CE1 3.65Å
654I26Very low26.7Very low98 Ų98130.2 Ų130.250%0.50365%0.647SS.*  trans-42.9154.7130.3-67.7160000110.9M871 E872I654-M871 HydrophobicContact CD1-CE 4.34Å; I654-E872 WeakPolarHBondContact CD1-OE1 3.22Å
655P26.3Very low26.6Very low104 Ų104128.6 Ų128.668%0.67565%0.649SS**  cis-126.2161.80.533.9-17.6000115.5
656K28.9Very low26.5Very low198 Ų198124.9 Ų124.986%0.86163%0.633SS**SBendtrans-172.1153.3133.5-99.6143.6-168.8171.40110.7
657S31.4Very low26.3Very low104 Ų104129.1 Ų129.173%0.72765%0.652SS**  trans51.555.317756.90000117.2
658V24.8Very low26.7Very low148 Ų148132.8 Ų132.890%0.89767%0.667SS**  -76.682.1111.1177.40000106.3
659R24.5Very low26.8Very low202 Ų202130.1 Ų130.176%0.76266%0.657SS**  trans-165.221.4-177.1-132.4-171.3-150.9-169.58.4118.4
660R30.3Very low27.4Very low232 Ų232132.2 Ų132.288%0.87567%0.672SS**SBend-129.2115.2113.3-85.8105.9-161.3-145.63.2103.9
661Y27.7Very low28Very low184 Ų184132.9 Ų132.972%0.72268%0.677SS**  67.8142.981.1-80.1-136000107.3
662S25Very low28.4Very low77 Ų77139.3 Ų139.354%0.53870%0.704SS.*  37130.976.897.70000111.3
663D23.2Very low28.5Very low99 Ų99144.6 Ų144.653%0.52972%0.721SS.*  cis-136.6174.749.5-83.4-50.9000110.3
664Q24.3Very low28.2Very low123 Ų123144.5 Ų144.558%0.57572%0.719SS**  27.8118.795.3-16.4156.840.200110.8
665M24Very low28Very low149 Ų149147.4 Ų147.473%0.73473%0.73SS**  -162.6164.751-71.9-159-164.400112.1
666K28.4Very low27.9Very low131 Ų131146.6 Ų146.657%0.5773%0.727SS**  cis175.7162.9-24.8-99.6174.3-164.7163.80104
667L27.4Very low28.3Very low119 Ų119144.9 Ų144.962%0.62372%0.723SS**  trans65156.9167.4-42116.8000113.8
668H35.8Very low28.5Very low164 Ų164146.2 Ų146.276%0.75972%0.721SS**  cis-115.7139.5-0.5-77.3-101.2000109.2
669H27.1Very low29.2Very low155 Ų155145 Ų14572%0.71871%0.709SS**  57.8101.574-69.5-77.1000115.7
670S37Very low30Very low126 Ų126143.6 Ų143.688%0.88171%0.711SS**  trans-165.4159.5130.552.10000109.9
671S36.6Very low30.4Very low109 Ų109137.8 Ų137.876%0.76271%0.706SS**  trans-159.8175.9-165.160.70000113.4
672K33.1Very low31.2Very low198 Ų198138 Ų13886%0.86171%0.71SS**  trans71146.4-162.3-48.8173.7-174.1177.30111.5
673Q29Very low32Very low186 Ų186141.1 Ų141.187%0.86972%0.721SS**SBendcis-59.7156-8.6-84.5-179.2-19.200113.7
674I21.1Very low32.5Very low129 Ų129143.7 Ų143.766%0.66273%0.732SS**SBendcis-150.7158.4-20.8-151.3167.9000108.6
675Q21.6Very low32.9Very low158 Ų158146.9 Ų146.974%0.73874%0.744SS**  trans63.3156.4176.6-121.464.1-300118.9
676S25.7Very low33.2Very low87 Ų87145.2 Ų145.261%0.60875%0.745SS**  trans-8.7149.2152.454.70000119.3
677Q36Very low33.3Very low163 Ų163146 Ų14676%0.76276%0.756SS**  cis-176.8158.7-0.8-116.3168.5-19.400108.3
678L36.8Very low33.5Very low132 Ų132145.3 Ų145.369%0.69176%0.76SS**  trans63.5164.9150.1-61.4169000114
679D39.3Very low33.3Very low122 Ų122144.8 Ų144.865%0.65276%0.758SS**SBendcis73.9113.437.1-43.4-51.2000114.7
680H40.5Very low33.5Very low173 Ų173143.9 Ų143.980%0.80176%0.763SS**  trans58.3114.2159.3-46.5-62.8000122.8
681S39.4Very low33.2Very low110 Ų110140.9 Ų140.977%0.76974%0.738SS**  trans96.9133.6136.881.80000125.5
682K44.3Very low33.3Very low187 Ų187140.4 Ų140.481%0.81372%0.722SS**  trans71130.9144-68.4174.8-176.7-179.20127
683D40.4Very low33.2Very low144 Ų144138.4 Ų138.477%0.7772%0.719SS**  trans76.7124.9138.3-57.6-33.4000130.9
684M34Very low33.4Very low153 Ų153137.6 Ų137.675%0.75471%0.709SS**  trans80.4139.6133.3-81.6-146.6171.500132.1
685K33.2Very low33.8Very low189 Ų189137.5 Ų137.582%0.82271%0.71SS**  trans79.7160.8145.8-75.8161.2175.1154.50123.2
686C31.1Very low34.3Very low114 Ų114138 Ų13877%0.7771%0.712SS**  cis-171.2174.7-37.2-146.50000116.4
687L30.1Very low34.6Very low149 Ų149138 Ų13878%0.7871%0.71SS**  trans69.9171.9163.8-67.5169.1000121.3
688S31.8Very low34.7Very low103 Ų103135.6 Ų135.672%0.7270%0.699SS**  cis-147.4-140.311.7710000117.6
689H31.3Very low34.8Very low154 Ų154132.9 Ų132.971%0.71369%0.689SS**  trans-142.8-171.8-156.5-45.4-47.2000115.2
690T31.4Very low34.9Very low135 Ų135131.3 Ų131.383%0.82868%0.684SS**  cis-150.1-140.58.8-310000114.2
691D30.9Very low35.1Very low64 Ų64127.2 Ų127.234%0.34267%0.672SS.*  trans-146.2-117.9-165.1-115.9162.3000124.7K843 K846D691-K843 WeakPolarHBondContact O-CE 3.35Å; D691-K843 PolarHBondContact O-NZ 3.23Å; D691-K846 WeakPolarHBondContact OD1-CE 3.48Å; D691-K846 IonicContact OD1-NZ 3.35Å; D691-K846 PolarHBondContact OD1-NZ 3.37Å; D691-K846 WeakPolarHBondContact OD2-CE 3.24Å; D691-K846 IonicContact OD2-NZ 2.69Å
692K38.5Very low35.1Very low99 Ų99125.6 Ų125.643%0.4365%0.653SS.*  trans-153.2-164.5-151.5-24.2106.5164.2155.70118
693I31.7Very low34.8Very low156 Ų156120.4 Ų120.480%0.864%0.635SS**  trans-158.9-173149.8-115.8169.1000114.3
694Y33Very low34.3Very low168 Ų168117.1 Ų117.166%0.65962%0.619SS**  trans-147-175.6-168.6-93.8-89.7000116.4
695N29.7Very low34.2Very low128 Ų128116.7 Ų116.768%0.68462%0.619SS**  trans-158.1175-166.238.5-117.5000115
696E30.9Very low34.2Very low167 Ų167112.6 Ų112.678%0.7861%0.612SS**  trans153.6163.2152.7-81.4132.562.600117
697P32.7Very low34Very low88 Ų88113.8 Ų113.857%0.57161%0.61SS**  trans-134.2-166.8-153.747.4-33.8000121.7
698Q38.5Very low33.8Very low112 Ų112114 Ų11452%0.52361%0.611SS.*  trans84.9169.7157.4-90.2-173.8-101.600122.3E714Q698-E714 VanDerWaalsContact NE2-N 3.18Å
699P37.6Very low33.5Very low75 Ų75113.2 Ų113.249%0.48760%0.604SS.*  cis-146-161.4-29.138.5-15.9000117.2N713P699-N713 VanDerWaalsContact CB-O 3.27Å; P699-N713 WeakPolarHBondContact CB-O 3.44Å
700T42.3Very low33.4Very low89 Ų89111.9 Ų111.955%0.54660%0.602SS.*  trans128.9155.9138.8-42.10000121.9F712T700-F712 HydrophobicContact CG2-CD2 3.96Å; T700-F712 HydrophobicContact CG2-CG 4.38Å
701T43.5Very low33.4Very low88 Ų88110.8 Ų110.854%0.5460%0.595SS.*  trans99.1143.1157.375.60000120.7F712T701-F712 VanDerWaalsContact C-CE2 3.42Å; T701-F712 VanDerWaalsContact CA-CE2 3.44Å; T701-F712 VanDerWaalsContact N-CE2 3.33Å; T701-F712 WeakPolarHBondContact O-CE1 3.13Å; T701-F712 WeakPolarHBondContact O-CZ 3.25Å
702I41.2Very low33.1Very low75 Ų75111.7 Ų111.739%0.38560%0.596SS.*  cis-163.1165.6-3.8-122.7171.2000115F712 K812I702-F712 VanDerWaalsContact N-CZ 3.28Å; I702-K812 PolarHBondContact O-N 3.08Å
703N37Very low32.7Very low79 Ų79111.8 Ų111.842%0.42260%0.602SS.*  trans84.6150.9164.1-132.7-131.4000118.3K812N703-K812 WeakPolarHBondContact OD1-CE 3.31Å; N703-K812 PolarHBondContact OD1-NZ 3.41Å
704V30.1Very low32.5Very low74 Ų74108.1 Ų108.145%0.44858%0.581SS.*  cis-141.9-148.123.9-151.80000114.2K812 T813V704-K812 HydrophobicContact CG2-CD 4.13Å; V704-K812 HydrophobicContact CG2-CG 4.06Å; V704-T813 HydrophobicContact CG2-CG2 4.44Å
705I32.2Very low32.2Very low144 Ų144106.4 Ų106.474%0.73858%0.579SS**  trans-152.5152.3-157.8-57176.3000113.4
706P32.3Very low32Very low104 Ų104108.6 Ų108.668%0.67559%0.585SS**SBendcis-110.8159.3-1421.6-1.9000112.4
707D28.2Very low31.7Very low139 Ų139108 Ų10874%0.74359%0.586SS**SBendcis-142.2148.7-9-72.7-47.2000106.1
708L25.1Very low31.5Very low152 Ų152111.7 Ų111.780%0.79660%0.6SS**  cis-142.5155.3-12-136.572.3000105.9
709P26Very low30.7Very low87 Ų87111.6 Ų111.657%0.56561%0.611SS**  trans-90.9-173.3-163.839-35.1000113.5
710D27.7Very low30Very low126 Ų126113.6 Ų113.667%0.67462%0.624SS**  cis-147.4175.928.9-84.6-66.6000114.8
711T32.8Very low29.2Very low112 Ų112117.9 Ų117.969%0.68764%0.64SS**  trans-125.1-174.7-177.950.10000112.9
712F24.2Very low28.3Very low84 Ų84121 Ų12137%0.36865%0.654SS.*  trans162.4168134.8-88.1-64.8000116.3T700 T701 I702T700-F712 HydrophobicContact CG2-CD2 3.96Å; T700-F712 HydrophobicContact CG2-CG 4.38Å; T701-F712 VanDerWaalsContact C-CE2 3.42Å; T701-F712 VanDerWaalsContact CA-CE2 3.44Å; T701-F712 VanDerWaalsContact N-CE2 3.33Å; T701-F712 WeakPolarHBondContact O-CE1 3.13Å; T701-F712 WeakPolarHBondContact O-CZ 3.25Å; I702-F712 VanDerWaalsContact N-CZ 3.28Å
713N29.5Very low27.5Very low101 Ų101122.4 Ų122.454%0.5467%0.669SS.*  trans-137.5165.2-168-98.529.2000113.7P699P699-N713 VanDerWaalsContact CB-O 3.27Å; P699-N713 WeakPolarHBondContact CB-O 3.44Å
714E28.4Very low26.8Very low79 Ų79124 Ų12437%0.36969%0.685SS.*  trans53.7134.8145.2-72153.5149.800125.7Q698Q698-E714 VanDerWaalsContact NE2-N 3.18Å
715E26.9Very low26.5Very low132 Ų132128.2 Ų128.262%0.61771%0.705SS**  trans77165.8143.2-67.7-172170.200127.3
716E24.9Very low26.3Very low174 Ų174130.1 Ų130.181%0.81371%0.71SS**  trans78.2165.6-179.1-62.1-142.5143.800122.7
717I25.5Very low26.3Very low155 Ų155128 Ų12880%0.79570%0.698SS**  trans-134.2136.6-144.8-62.3163.9000114.1
718N26.9Very low26.4Very low164 Ų164125.8 Ų125.888%0.87769%0.69SS**  trans-165.3161.4154.3-109.6-48.8000115.9
719C22.2Very low26.7Very low110 Ų110123.8 Ų123.874%0.74368%0.676SS**  trans-128.5-172.2175.2-60.50000109.1
720P24.3Very low27.2Very low117 Ų117124.1 Ų124.176%0.7667%0.674SS**  cis-134.4-173.1-1144.5-27.9000114.6
721M23.8Very low27.6Very low179 Ų179126.2 Ų126.288%0.88268%0.679SS**  trans41.774.7141.5-15174.6159.700120.6
722N25.4Very low27.6Very low155 Ų155123.9 Ų123.983%0.82966%0.662SS**  trans-155.6143.1156.5-117-16.1000109.3
723C23.6Very low28.4Very low104 Ų104122.9 Ų122.970%0.70366%0.661SS**  cis-132.3157.7-4-47.80000109.9
724C22.5Very low28.8Very low113 Ų113128.1 Ų128.176%0.76467%0.673SS**  trans-65.7166.8147.5-690000109.5
725N24.9Very low29.1Very low161 Ų161125.7 Ų125.786%0.86167%0.669SS**  trans80.948.7-179.4-46.7-20.5000116.6
726Q28.4Very low29.6Very low184 Ų184121.8 Ų121.886%0.8665%0.652SS**SBendtrans-140.7144.3144.2-107163.744.500109.6
727S30.8Very low30.2Very low59 Ų59117.9 Ų117.941%0.41363%0.634SS.*  trans-64.6141.6-153.457.80000113.8E729 N730S727-E729 PolarHBondContact O-N 3.36Å; S727-E729 WeakPolarHBondContact OG-CB 3.37Å; S727-N730 PolarHBondContact O-N 3.16Å
728T31.1Very low30.9Very low93 Ų93114.4 Ų114.457%0.57162%0.623SS**Hα-helixtrans-50.6-27.1170.847.40000112.3N730 Q731 I732T728-N730 VanDerWaalsContact C-N 3.27Å; T728-N730 PolarHBondContact O-N 2.83Å; T728-Q731 PolarHBondContact O-N 3.42Å; T728-I732 WeakPolarHBondContact O-CB 3.28Å; T728-I732 VanDerWaalsContact O-CG1 3.25Å; T728-I732 WeakPolarHBondContact O-CG1 3.43Å; T728-I732 PolarHBondContact O-N 3.43Å
729E31.3Very low31.5Very low110 Ų110109.7 Ų109.751%0.51460%0.598SS.*Hα-helixtrans-49.4-37.2173.4-159.7160.7-138.900113.9S727 I732 N733S727-E729 PolarHBondContact O-N 3.36Å; S727-E729 WeakPolarHBondContact OG-CB 3.37Å; E729-I732 CarbonylContact O-C 3.55Å; E729-I732 PolarHBondContact O-N 2.99Å; E729-N733 WeakPolarHBondContact O-CA 3.27Å; E729-N733 WeakPolarHBondContact O-CB 3.22Å; E729-N733 PolarHBondContact O-N 2.93Å; E729-N733 PolarHBondContact O-ND2 3.26Å; E729-N733 VanDerWaalsContact O-ND2 3.17Å; E729-N733 PolarHBondContact O-OD1 2.82Å
730N36.8Very low32.3Very low95 Ų95111.6 Ų111.651%0.50859%0.589SS.*Hα-helixtrans-78.6-31.4-178.2-86.7-24.1000114.3S727 T728 R734S727-N730 PolarHBondContact O-N 3.16Å; T728-N730 VanDerWaalsContact C-N 3.27Å; T728-N730 PolarHBondContact O-N 2.83Å; N730-R734 PolarHBondContact O-N 2.85Å
731Q35.2Very low33.2Very low169 Ų169111.5 Ų111.579%0.7958%0.582SS**Hα-helixtrans-75.3-35.3168-67.8-169.17.800111.3T728 N733 G735T728-Q731 PolarHBondContact O-N 3.42Å; Q731-N733 VanDerWaalsContact C-N 3.32Å; Q731-G735 PolarHBondContact O-N 2.95Å
732I33.9Very low34.1Very low64 Ų64106.4 Ų106.433%0.32856%0.564SS.*Hα-helixtrans-59.3-43.6168.6-73.7167000110T728 E729 G735 L736 L755T728-I732 WeakPolarHBondContact O-CB 3.28Å; T728-I732 VanDerWaalsContact O-CG1 3.25Å; T728-I732 WeakPolarHBondContact O-CG1 3.43Å; T728-I732 PolarHBondContact O-N 3.43Å; E729-I732 CarbonylContact O-C 3.55Å; E729-I732 PolarHBondContact O-N 2.99Å; I732-G735 CarbonylContact O-C 3.55Å; I732-G735 PolarHBondContact O-N 3.5Å; I732-L736 HydrophobicContact CG2-CD1 3.67Å; I732-L736 HydrophobicContact CG2-CG 4.13Å; I732-L736 WeakPolarHBondContact O-CB 3.35Å; I732-L736 VanDerWaalsContact O-CG 3.24Å; I732-L736 WeakPolarHBondContact O-CG 3.16Å; I732-L736 PolarHBondContact O-N 3.14Å; I732-L755 HydrophobicContact CD1-CD2 4.46Å; I732-L755 HydrophobicContact CG2-CD2 4.27Å
733N40.3Very low34.8Very low63 Ų6399.6 Ų99.634%0.33753%0.528SS..Hα-helixtrans-66.2-47.5180-75.4-24000111.2E729 Q731 G735 L736 E737E729-N733 WeakPolarHBondContact O-CA 3.27Å; E729-N733 WeakPolarHBondContact O-CB 3.22Å; E729-N733 PolarHBondContact O-N 2.93Å; E729-N733 PolarHBondContact O-ND2 3.26Å; E729-N733 VanDerWaalsContact O-ND2 3.17Å; E729-N733 PolarHBondContact O-OD1 2.82Å; Q731-N733 VanDerWaalsContact C-N 3.32Å; N733-G735 VanDerWaalsContact C-N 3.26Å; N733-G735 PolarHBondContact O-N 2.62Å; N733-L736 CarbonylContact O-C 3.54Å; N733-L736 WeakPolarHBondContact O-CA 3.49Å; N733-L736 PolarHBondContact O-N 2.69Å; N733-E737 WeakPolarHBondContact O-CB 3.35Å; N733-E737 PolarHBondContact O-N 3.01Å
734R38.8Very low35.8Very low211 Ų21195.9 Ų95.980%0.79650%0.504SS*.Hα-helixtrans-62.1-33.2173.9-70.2-178.7-179.6179.41.2112.5N730 E737 S738N730-R734 PolarHBondContact O-N 2.85Å; R734-E737 WeakPolarHBondContact O-CB 3.17Å; R734-E737 PolarHBondContact O-N 3.44Å; R734-S738 PolarHBondContact O-N 2.85Å
735G33Very low37Very low28 Ų2899.8 Ų99.829%0.28950%0.502SS..Hα-helixtrans-67-44.3168.600000113Q731 I732 N733 E737 S738 L739Q731-G735 PolarHBondContact O-N 2.95Å; I732-G735 CarbonylContact O-C 3.55Å; I732-G735 PolarHBondContact O-N 3.5Å; N733-G735 VanDerWaalsContact C-N 3.26Å; N733-G735 PolarHBondContact O-N 2.62Å; G735-E737 PolarHBondContact O-N 3.26Å; G735-S738 PolarHBondContact O-N 3.24Å; G735-S738 PolarHBondContact O-OG 2.84Å; G735-L739 WeakPolarHBondContact O-CD1 3.28Å; G735-L739 WeakPolarHBondContact O-CG 3.18Å; G735-L739 PolarHBondContact O-N 3.44Å
736L37.3Very low38Very low50 Ų5096.4 Ų96.426%0.26248%0.477SS..Hα-helixtrans-65.6-26.9175.3-73.2172.1000111.9I732 N733 L739 R740 L751 L755I732-L736 HydrophobicContact CG2-CD1 3.67Å; I732-L736 HydrophobicContact CG2-CG 4.13Å; I732-L736 WeakPolarHBondContact O-CB 3.35Å; I732-L736 VanDerWaalsContact O-CG 3.24Å; I732-L736 WeakPolarHBondContact O-CG 3.16Å; I732-L736 PolarHBondContact O-N 3.14Å; N733-L736 CarbonylContact O-C 3.54Å; N733-L736 WeakPolarHBondContact O-CA 3.49Å; N733-L736 PolarHBondContact O-N 2.69Å; L736-L739 HydrophobicContact CD2-CD1 4.39Å; L736-L739 CarbonylContact O-C 3.52Å; L736-L739 PolarHBondContact O-N 3.15Å; L736-R740 WeakPolarHBondContact O-CA 3.19Å; L736-R740 VanDerWaalsContact O-CB 3.31Å; L736-R740 WeakPolarHBondContact O-CB 3.27Å; L736-R740 PolarHBondContact O-N 3.32Å; L736-L751 HydrophobicContact CD2-CD1 4.19Å; L736-L755 HydrophobicContact CD1-CD1 4.11Å
737E38.6Very low38.9Very low92 Ų9295.8 Ų95.843%0.4347%0.467SS..Hα-helixtrans-66.4-46.7173.8-142.763.8-106.300110.9N733 R734 G735 L739 R740N733-E737 WeakPolarHBondContact O-CB 3.35Å; N733-E737 PolarHBondContact O-N 3.01Å; R734-E737 WeakPolarHBondContact O-CB 3.17Å; R734-E737 PolarHBondContact O-N 3.44Å; G735-E737 PolarHBondContact O-N 3.26Å; E737-L739 VanDerWaalsContact C-N 3.31Å; E737-L739 PolarHBondContact O-N 3.5Å; E737-R740 WeakPolarHBondContact O-CB 3.47Å; E737-R740 PolarHBondContact O-N 3.25Å; E737-R740 VanDerWaalsContact O-N 3.09Å; E737-R740 WeakPolarHBondContact OE1-CD 3.43Å; E737-R740 IonicContact OE1-CZ 2.79Å; E737-R740 IonicContact OE1-NE 2.79Å; E737-R740 IonicContact OE1-NH1 3.72Å; E737-R740 PolarHBondContact OE1-NH1 3.32Å; E737-R740 IonicContact OE2-NH1 2.78Å
738S41Very low39.7Very low82 Ų8297.1 Ų97.157%0.57347%0.465SS*.Hα-helixtrans-68.6-31.4174.1740000112.2R734 G735 S742R734-S738 PolarHBondContact O-N 2.85Å; G735-S738 PolarHBondContact O-N 3.24Å; G735-S738 PolarHBondContact O-OG 2.84Å; S738-S742 PolarHBondContact O-OG 3.19Å
739L39.2Very low40.8Very low65 Ų6598.1 Ų98.134%0.3446%0.464SS..Hα-helixtrans-75.5-20.4170.5-61.6166.4000112.6G735 L736 E737 N741 S742 V743 L751G735-L739 WeakPolarHBondContact O-CD1 3.28Å; G735-L739 WeakPolarHBondContact O-CG 3.18Å; G735-L739 PolarHBondContact O-N 3.44Å; L736-L739 HydrophobicContact CD2-CD1 4.39Å; L736-L739 CarbonylContact O-C 3.52Å; L736-L739 PolarHBondContact O-N 3.15Å; E737-L739 VanDerWaalsContact C-N 3.31Å; E737-L739 PolarHBondContact O-N 3.5Å; L739-N741 PolarHBondContact O-N 2.61Å; L739-S742 WeakPolarHBondContact CA-OG 3.44Å; L739-S742 PolarHBondContact O-N 3.16Å; L739-V743 HydrophobicContact CB-CB 4.46Å; L739-V743 HydrophobicContact CB-CG2 3.72Å; L739-V743 HydrophobicContact CD2-CG2 3.49Å; L739-V743 VanDerWaalsContact CD2-CG2 3.49Å; L739-V743 HydrophobicContact CG-CG2 4.18Å; L739-V743 VanDerWaalsContact O-CB 3.23Å; L739-V743 WeakPolarHBondContact O-CB 3.45Å; L739-V743 WeakPolarHBondContact O-CG2 3.26Å; L739-V743 PolarHBondContact O-N 2.74Å; L739-L751 HydrophobicContact CD1-CD1 4.22Å
740R39.1Very low42.3Very low149 Ų149100 Ų10056%0.56247%0.466SS*.Hα-helixtrans-61.4-32.3-176.5-156.1170.6-178.3170.40.6111.1L736 E737 K748L736-R740 WeakPolarHBondContact O-CA 3.19Å; L736-R740 VanDerWaalsContact O-CB 3.31Å; L736-R740 WeakPolarHBondContact O-CB 3.27Å; L736-R740 PolarHBondContact O-N 3.32Å; E737-R740 WeakPolarHBondContact O-CB 3.47Å; E737-R740 PolarHBondContact O-N 3.25Å; E737-R740 VanDerWaalsContact O-N 3.09Å; E737-R740 WeakPolarHBondContact OE1-CD 3.43Å; E737-R740 IonicContact OE1-CZ 2.79Å; E737-R740 IonicContact OE1-NE 2.79Å; E737-R740 IonicContact OE1-NH1 3.72Å; E737-R740 PolarHBondContact OE1-NH1 3.32Å; E737-R740 IonicContact OE2-NH1 2.78Å; R740-K748 PolarHBondContact O-NZ 3.5Å
741N41.4Very low42.9Very low115 Ų11597.6 Ų97.662%0.61545%0.453SS*.THydrogen-bonded Turntrans-109.33.7-175.6-62.8-26000114.4L739 L862L739-N741 PolarHBondContact O-N 2.61Å; N741-L862 WeakPolarHBondContact O-CD1 3.34Å; N741-L862 VanDerWaalsContact O-CG 3.27Å; N741-L862 WeakPolarHBondContact O-CG 3.48Å
742S43.8Very low43.7Very low73 Ų7396 Ų9651%0.5144%0.444SS..THydrogen-bonded Turntrans-129.5-3.2-175.5570000114.4S738 L739S738-S742 PolarHBondContact O-OG 3.19Å; L739-S742 WeakPolarHBondContact CA-OG 3.44Å; L739-S742 PolarHBondContact O-N 3.16Å
743V39.6Very low45.2Very low12 Ų1296.8 Ų96.87%0.07345%0.449CS..SBendtrans-123.3136.3-168.1179.80000114.2L739 R747 K748L739-V743 HydrophobicContact CB-CB 4.46Å; L739-V743 HydrophobicContact CB-CG2 3.72Å; L739-V743 HydrophobicContact CD2-CG2 3.49Å; L739-V743 VanDerWaalsContact CD2-CG2 3.49Å; L739-V743 HydrophobicContact CG-CG2 4.18Å; L739-V743 VanDerWaalsContact O-CB 3.23Å; L739-V743 WeakPolarHBondContact O-CB 3.45Å; L739-V743 WeakPolarHBondContact O-CG2 3.26Å; L739-V743 PolarHBondContact O-N 2.74Å; V743-R747 HydrophobicContact CG1-CB 3.19Å; V743-R747 HydrophobicContact CG1-CG 4.19Å; V743-K748 HydrophobicContact CG1-CG 4.27Å; V743-K748 WeakPolarHBondContact O-CE 3.45Å
744S45.8Very low46Very low26 Ų2697.1 Ų97.118%0.18245%0.448CS..  trans-59.1145.7177.983.60000113R746 R747 K748 V864S744-R746 PolarHBondContact O-N 3.02Å; S744-R746 VanDerWaalsContact O-N 3.12Å; S744-R747 PolarHBondContact O-N 2.9Å; S744-R747 PolarHBondContact OG-N 3.48Å; S744-K748 PolarHBondContact O-N 2.84Å; S744-V864 VanDerWaalsContact CA-O 3.29Å; S744-V864 WeakPolarHBondContact CA-O 3.26Å; S744-V864 WeakPolarHBondContact CB-O 3.46Å
745R46.3Very low46.9Very low194 Ų19489.3 Ų89.373%0.73242%0.422SS*.Hα-helixtrans-52.4-35.6178.5-158.4179.6-173.6176.42.7113.1K748 Q749 V864 N865R745-K748 PolarHBondContact O-N 3.09Å; R745-Q749 PolarHBondContact O-N 3.12Å; R745-V864 PolarHBondContact N-O 3.27Å; R745-N865 HydrophobicContact CB-CB 3.61Å; R745-N865 PolarHBondContact N-ND2 3.4Å; R745-N865 VanDerWaalsContact N-ND2 3.13Å
746R45.8Very low48.2Very low90 Ų9091.4 Ų91.434%0.3443%0.429SS..Hα-helixtrans-63.7-46.9173.1-93.6-179.7162-153.6-11.1113.1S744 K748 Q749 W750 N865 E867S744-R746 PolarHBondContact O-N 3.02Å; S744-R746 VanDerWaalsContact O-N 3.12Å; R746-K748 VanDerWaalsContact C-N 3.3Å; R746-K748 PolarHBondContact O-N 3.4Å; R746-Q749 PolarHBondContact O-N 2.86Å; R746-W750 WeakPolarHBondContact O-CB 3.4Å; R746-W750 PolarHBondContact O-N 3.48Å; R746-N865 WeakPolarHBondContact CG-OD1 3.4Å; R746-N865 PolarHBondContact N-ND2 3.24Å; R746-E867 WeakPolarHBondContact CD-OE2 3.46Å; R746-E867 IonicContact CZ-OE1 3.63Å; R746-E867 IonicContact CZ-OE2 3.86Å; R746-E867 PolarHBondContact NE-O 3.05Å; R746-E867 VanDerWaalsContact NE-O 3.14Å; R746-E867 IonicContact NE-OE2 2.64Å; R746-E867 IonicContact NH1-OE1 3.53Å; R746-E867 PolarHBondContact NH1-OE1 3.35Å; R746-E867 IonicContact NH1-OE2 2.67Å; R746-E867 PolarHBondContact NH1-OE2 2.87Å; R746-E867 PolarHBondContact NH2-O 3.5Å
747R47.5Very low49.4Very low171 Ų17195.5 Ų95.565%0.64545%0.445SS*.Hα-helixtrans-66.1-32.4174.4-96.8-176.6169.2167.1-4.9111.8V743 S744 W750 L751V743-R747 HydrophobicContact CG1-CB 3.19Å; V743-R747 HydrophobicContact CG1-CG 4.19Å; S744-R747 PolarHBondContact O-N 2.9Å; S744-R747 PolarHBondContact OG-N 3.48Å; R747-W750 PolarHBondContact O-N 3.27Å; R747-L751 WeakPolarHBondContact O-CB 3.21Å; R747-L751 WeakPolarHBondContact O-CG 3.45Å; R747-L751 PolarHBondContact O-N 3.1Å
748K48Very low50Low87 Ų8795.9 Ų95.938%0.37845%0.45SS..Hα-helixtrans-63.3-46.2171-65.4-174.7179.8-178.60111.7R740 V743 S744 R745 R746 W750 L751 F752R740-K748 PolarHBondContact O-NZ 3.5Å; V743-K748 HydrophobicContact CG1-CG 4.27Å; V743-K748 WeakPolarHBondContact O-CE 3.45Å; S744-K748 PolarHBondContact O-N 2.84Å; R745-K748 PolarHBondContact O-N 3.09Å; R746-K748 VanDerWaalsContact C-N 3.3Å; R746-K748 PolarHBondContact O-N 3.4Å; K748-W750 VanDerWaalsContact C-N 3.33Å; K748-W750 PolarHBondContact O-N 2.89Å; K748-L751 PolarHBondContact O-N 3.35Å; K748-F752 WeakPolarHBondContact O-CB 3.43Å; K748-F752 PolarHBondContact O-N 3.42Å
749Q54.7Low50.6Low114 Ų11495.8 Ų95.853%0.53344%0.443SS..Hα-helixtrans-61.3-40.4174.1-15775.437.900112R745 R746 F752 N753R745-Q749 PolarHBondContact O-N 3.12Å; R746-Q749 PolarHBondContact O-N 2.86Å; Q749-F752 PolarHBondContact O-N 3.12Å; Q749-N753 WeakPolarHBondContact O-CB 3.13Å; Q749-N753 PolarHBondContact O-N 3.38Å; Q749-N753 PolarHBondContact O-OD1 2.98Å
750W62Low51.2Low150 Ų15095.5 Ų95.557%0.56845%0.449SS*.Hα-helixtrans-65.9-45.5176.4-177.790.5000112.1R746 R747 K748 F752 N753 Q754R746-W750 WeakPolarHBondContact O-CB 3.4Å; R746-W750 PolarHBondContact O-N 3.48Å; R747-W750 PolarHBondContact O-N 3.27Å; K748-W750 VanDerWaalsContact C-N 3.33Å; K748-W750 PolarHBondContact O-N 2.89Å; W750-F752 VanDerWaalsContact C-N 3.32Å; W750-F752 PolarHBondContact O-N 3.1Å; W750-N753 CarbonylContact O-C 3.58Å; W750-N753 PolarHBondContact O-N 2.92Å; W750-Q754 HydrophobicContact CD2-CG 3.97Å; W750-Q754 HydrophobicContact CE3-CG 4.09Å; W750-Q754 HydrophobicContact CH2-CG 4.03Å; W750-Q754 HydrophobicContact CZ2-CG 3.9Å; W750-Q754 VanDerWaalsContact CZ2-NE2 3.33Å; W750-Q754 HydrophobicContact CZ3-CG 4.12Å; W750-Q754 WeakPolarHBondContact O-CG 3.43Å; W750-Q754 PolarHBondContact O-N 3.32Å
751L49.2Very low51.6Low45 Ų4593.6 Ų93.624%0.23645%0.445CS..Hα-helixtrans-58.8-43.6174.2-81.5164.6000111.5L736 L739 R747 K748 Q754 L755L736-L751 HydrophobicContact CD2-CD1 4.19Å; L739-L751 HydrophobicContact CD1-CD1 4.22Å; R747-L751 WeakPolarHBondContact O-CB 3.21Å; R747-L751 WeakPolarHBondContact O-CG 3.45Å; R747-L751 PolarHBondContact O-N 3.1Å; K748-L751 PolarHBondContact O-N 3.35Å; L751-Q754 PolarHBondContact O-N 3.03Å; L751-L755 PolarHBondContact O-N 2.99Å
752F53.3Low51.8Low135 Ų13594 Ų9459%0.59244%0.442SS*.Hα-helixtrans-61.5-44.4175.2-157.5-90.2000111.4K748 Q749 W750 Q754 L755 T756K748-F752 WeakPolarHBondContact O-CB 3.43Å; K748-F752 PolarHBondContact O-N 3.42Å; Q749-F752 PolarHBondContact O-N 3.12Å; W750-F752 VanDerWaalsContact C-N 3.32Å; W750-F752 PolarHBondContact O-N 3.1Å; F752-Q754 VanDerWaalsContact C-N 3.27Å; F752-Q754 PolarHBondContact O-N 2.97Å; F752-L755 PolarHBondContact O-N 3.2Å; F752-T756 HydrophobicContact CD1-CG2 4.12Å; F752-T756 HydrophobicContact CE1-CG2 3.99Å; F752-T756 WeakPolarHBondContact O-CG2 3.39Å; F752-T756 PolarHBondContact O-N 2.63Å; F752-T756 PolarHBondContact O-OG1 3.1Å
753N64Low51.8Low81 Ų8197.9 Ų97.943%0.43346%0.456SS..Hα-helixtrans-68.4-20.1176-71.14.6000114Q749 W750 T756 K757Q749-N753 WeakPolarHBondContact O-CB 3.13Å; Q749-N753 PolarHBondContact O-N 3.38Å; Q749-N753 PolarHBondContact O-OD1 2.98Å; W750-N753 CarbonylContact O-C 3.58Å; W750-N753 PolarHBondContact O-N 2.92Å; N753-T756 WeakPolarHBondContact CA-OG1 3.46Å; N753-T756 PolarHBondContact O-OG1 3.33Å; N753-K757 WeakPolarHBondContact O-CB 3.39Å; N753-K757 VanDerWaalsContact O-CG 3.25Å; N753-K757 WeakPolarHBondContact O-CG 3.44Å; N753-K757 PolarHBondContact O-N 2.9Å
754Q58.3Low52Low70 Ų70101.4 Ų101.433%0.32748%0.481SS..Hα-helixtrans-87.1-35.3171.4-64.7-65.210.900111.7W750 L751 F752 K757 L758W750-Q754 HydrophobicContact CD2-CG 3.97Å; W750-Q754 HydrophobicContact CE3-CG 4.09Å; W750-Q754 HydrophobicContact CH2-CG 4.03Å; W750-Q754 HydrophobicContact CZ2-CG 3.9Å; W750-Q754 VanDerWaalsContact CZ2-NE2 3.33Å; W750-Q754 HydrophobicContact CZ3-CG 4.12Å; W750-Q754 WeakPolarHBondContact O-CG 3.43Å; W750-Q754 PolarHBondContact O-N 3.32Å; L751-Q754 PolarHBondContact O-N 3.03Å; F752-Q754 VanDerWaalsContact C-N 3.27Å; F752-Q754 PolarHBondContact O-N 2.97Å; Q754-K757 PolarHBondContact O-N 3Å; Q754-L758 WeakPolarHBondContact O-CB 3.37Å; Q754-L758 WeakPolarHBondContact O-CG 3.25Å; Q754-L758 PolarHBondContact O-N 3.34Å
755L56.5Low51.7Low47 Ų47106.6 Ų106.625%0.24650%0.502CS..Hα-helixtrans-65.1-43.1172.3-79163.4000111.5I732 L736 L751 F752 K757 L758 N759I732-L755 HydrophobicContact CD1-CD2 4.46Å; I732-L755 HydrophobicContact CG2-CD2 4.27Å; L736-L755 HydrophobicContact CD1-CD1 4.11Å; L751-L755 PolarHBondContact O-N 2.99Å; F752-L755 PolarHBondContact O-N 3.2Å; L755-K757 VanDerWaalsContact C-N 3.31Å; L755-K757 PolarHBondContact O-N 2.93Å; L755-L758 PolarHBondContact O-N 3.22Å; L755-N759 WeakPolarHBondContact O-CB 3.36Å; L755-N759 VanDerWaalsContact O-CG 3.32Å; L755-N759 PolarHBondContact O-N 2.91Å; L755-N759 PolarHBondContact O-OD1 3.2Å
756T60.9Low51.1Low71 Ų71101.5 Ų101.544%0.43650%0.497SS..Hα-helixtrans-65-34.1173.454.30000112.2F752 N753 A760F752-T756 HydrophobicContact CD1-CG2 4.12Å; F752-T756 HydrophobicContact CE1-CG2 3.99Å; F752-T756 WeakPolarHBondContact O-CG2 3.39Å; F752-T756 PolarHBondContact O-N 2.63Å; F752-T756 PolarHBondContact O-OG1 3.1Å; N753-T756 WeakPolarHBondContact CA-OG1 3.46Å; N753-T756 PolarHBondContact O-OG1 3.33Å; T756-A760 WeakPolarHBondContact O-CB 3.41Å; T756-A760 PolarHBondContact O-N 3.44Å
757K62Low50.3Low136 Ų136104.4 Ų104.459%0.59152%0.519SS*.Hα-helixtrans-70.6-37.1172.1-79.4-179.6176.8-168.70113.8N753 Q754 L755 K761N753-K757 WeakPolarHBondContact O-CB 3.39Å; N753-K757 VanDerWaalsContact O-CG 3.25Å; N753-K757 WeakPolarHBondContact O-CG 3.44Å; N753-K757 PolarHBondContact O-N 2.9Å; Q754-K757 PolarHBondContact O-N 3Å; L755-K757 VanDerWaalsContact C-N 3.31Å; L755-K757 PolarHBondContact O-N 2.93Å; K757-K761 WeakPolarHBondContact O-CB 3.37Å; K757-K761 WeakPolarHBondContact O-CG 3.12Å; K757-K761 PolarHBondContact O-N 3.23Å
758L51.5Low49.6Very low101 Ų101104 Ų10453%0.52952%0.524SS..Hα-helixtrans-69.2-40.8175.4-79164.6000111.2Q754 L755 K761 K762Q754-L758 WeakPolarHBondContact O-CB 3.37Å; Q754-L758 WeakPolarHBondContact O-CG 3.25Å; Q754-L758 PolarHBondContact O-N 3.34Å; L755-L758 PolarHBondContact O-N 3.22Å; L758-K761 PolarHBondContact O-N 2.9Å; L758-K762 WeakPolarHBondContact O-CG 3.39Å; L758-K762 PolarHBondContact O-N 3.36Å
759N53.5Low48.7Very low80 Ų80107.3 Ų107.343%0.42854%0.54SS..Hα-helixtrans-69.7-40.5175.3-69.24.5000111L755 K761 K762 L763L755-N759 WeakPolarHBondContact O-CB 3.36Å; L755-N759 VanDerWaalsContact O-CG 3.32Å; L755-N759 PolarHBondContact O-N 2.91Å; L755-N759 PolarHBondContact O-OD1 3.2Å; N759-K761 VanDerWaalsContact C-N 3.33Å; N759-K761 PolarHBondContact O-N 2.93Å; N759-K762 PolarHBondContact O-N 2.94Å; N759-L763 WeakPolarHBondContact O-CB 3.31Å; N759-L763 WeakPolarHBondContact O-CG 3.1Å; N759-L763 PolarHBondContact O-N 2.89Å
760A52.2Low47.6Very low58 Ų58109 Ų10948%0.47955%0.553SS.*Hα-helixtrans-63.7-34.2172.600000113T756 S764T756-A760 WeakPolarHBondContact O-CB 3.41Å; T756-A760 PolarHBondContact O-N 3.44Å; A760-S764 PolarHBondContact O-N 2.88Å; A760-S764 PolarHBondContact O-OG 3.24Å
761K47.4Very low46Very low109 Ų109110 Ų11047%0.47457%0.569SS.*Hα-helixtrans-72.3-39.6172.7-80.2-174.8126.1-67.90112.9K757 L758 N759 L763 S764 E765K757-K761 WeakPolarHBondContact O-CB 3.37Å; K757-K761 WeakPolarHBondContact O-CG 3.12Å; K757-K761 PolarHBondContact O-N 3.23Å; L758-K761 PolarHBondContact O-N 2.9Å; N759-K761 VanDerWaalsContact C-N 3.33Å; N759-K761 PolarHBondContact O-N 2.93Å; K761-L763 VanDerWaalsContact C-N 3.3Å; K761-L763 PolarHBondContact O-N 3.49Å; K761-S764 WeakPolarHBondContact CA-OG 3.35Å; K761-S764 CarbonylContact O-C 3.24Å; K761-S764 PolarHBondContact O-N 3.25Å; K761-S764 PolarHBondContact O-OG 3.47Å; K761-E765 IonicContact NZ-OE1 2.68Å; K761-E765 PolarHBondContact NZ-OE1 2.72Å; K761-E765 WeakPolarHBondContact O-CB 3.29Å; K761-E765 WeakPolarHBondContact O-CG 3.3Å; K761-E765 PolarHBondContact O-N 2.73Å; K761-E765 VanDerWaalsContact O-N 3.11Å
762K46.6Very low45.1Very low125 Ų125117 Ų11754%0.54360%0.6SS.*Hα-helixtrans-60.9-40.3171-77.1-175.6170.2-1680111.5L758 N759 S764 E765 S766L758-K762 WeakPolarHBondContact O-CG 3.39Å; L758-K762 PolarHBondContact O-N 3.36Å; N759-K762 PolarHBondContact O-N 2.94Å; K762-S764 PolarHBondContact O-N 3.48Å; K762-E765 PolarHBondContact O-N 3.39Å; K762-S766 PolarHBondContact O-OG 2.82Å
763L43.3Very low44Very low153 Ų153114.6 Ų114.680%0.80160%0.6SS**THydrogen-bonded Turntrans-68.3-4.3172.2-77161.4000114.5N759 K761N759-L763 WeakPolarHBondContact O-CB 3.31Å; N759-L763 WeakPolarHBondContact O-CG 3.1Å; N759-L763 PolarHBondContact O-N 2.89Å; K761-L763 VanDerWaalsContact C-N 3.3Å; K761-L763 PolarHBondContact O-N 3.49Å
764S43.6Very low42.4Very low87 Ų87118.7 Ų118.761%0.60862%0.622SS**THydrogen-bonded Turntrans-117.6-0.8174.768.10000114.4A760 K761 K762A760-S764 PolarHBondContact O-N 2.88Å; A760-S764 PolarHBondContact O-OG 3.24Å; K761-S764 WeakPolarHBondContact CA-OG 3.35Å; K761-S764 CarbonylContact O-C 3.24Å; K761-S764 PolarHBondContact O-N 3.25Å; K761-S764 PolarHBondContact O-OG 3.47Å; K762-S764 PolarHBondContact O-N 3.48Å
765E38.4Very low40.9Very low135 Ų135122.1 Ų122.163%0.63164%0.642SS**THydrogen-bonded Turntrans-125.24.3-172.1-71.1170.1-166.800113K761 K762K761-E765 IonicContact NZ-OE1 2.68Å; K761-E765 PolarHBondContact NZ-OE1 2.72Å; K761-E765 WeakPolarHBondContact O-CB 3.29Å; K761-E765 WeakPolarHBondContact O-CG 3.3Å; K761-E765 PolarHBondContact O-N 2.73Å; K761-E765 VanDerWaalsContact O-N 3.11Å; K762-E765 PolarHBondContact O-N 3.39Å
766S35Very low39.5Very low87 Ų87128.8 Ų128.861%0.60867%0.67SS**  trans-134.1113.1168.6590000111.9K762K762-S766 PolarHBondContact O-OG 2.82Å
767N28.9Very low37.8Very low150 Ų150134.3 Ų134.380%0.80269%0.69SS**  trans-67.1173.5162.4-62.7-27.2000110.3
768H32.8Very low36.1Very low162 Ų162136.6 Ų136.675%0.7571%0.705SS**  trans77.785.6-172.5-49.7-66000114.9
769E29.2Very low34.9Very low157 Ų157141.2 Ų141.273%0.73472%0.721SS**  39.4140.9105.6-60.2160.1144.700118.6
770N31.3Very low33.8Very low149 Ų149142.5 Ų142.580%0.79773%0.734SS**  trans89.613.8167.5-53.4-30.9000120.4
771L28.7Very low32.7Very low173 Ų173147.5 Ų147.591%0.90675%0.753SS**  trans-12550.5159.7-78.3174.7000112.2
772Q29.8Very low31.6Very low190 Ų190149.9 Ų149.989%0.88877%0.77SS**  trans-109.723.6-178.3-153171.411.300113.1
773S30.4Very low30.8Very low85 Ų85152 Ų15259%0.59479%0.786SS**  trans-121.6154.7176.151.50000110.7
774N30.5Very low29.9Very low168 Ų168152.3 Ų152.390%0.89878%0.783SS**SBendtrans76.120-169.2-53.2-18.3000115.8
775L25.5Very low29Very low142 Ų142154.4 Ų154.474%0.74379%0.788SS**SBendtrans-113.1134.1161.2-142.278000109
776F27.2Very low28.6Very low187 Ų187156.9 Ų156.982%0.8280%0.799SS**SBendtrans69.6158.8-177.4-66.1-92.2000117.3
777Q26.9Very low28.1Very low186 Ų186159.6 Ų159.687%0.86980%0.802SS**  trans69.6148.8-169.1-47.4-172.419.100112.6
778M26.2Very low27.9Very low184 Ų184162 Ų16291%0.90680%0.801SS**  cis-109.9-179.610.1-59.8178.776.200113.7
779K24.8Very low28Very low198 Ų198159.2 Ų159.286%0.86180%0.798SS**  trans-112.4174.2-179.6-111.7-175.9178.1-179.70110.5
780P30.5Very low27.8Very low108 Ų108158.5 Ų158.570%0.70180%0.798SS**  trans-83.8161.1-169.135.9-37.2000113
781D29.1Very low27.4Very low163 Ų163156.3 Ų156.387%0.87279%0.793SS**  trans-144.4152.2155.5-93.3-50.9000111.1
782N25.7Very low27.2Very low158 Ų158154.9 Ų154.985%0.84579%0.786SS**  trans-97127.2174.9-64.3-36.2000109.6
783I29.7Very low26.9Very low170 Ų170152.7 Ų152.787%0.87278%0.78SS**  trans-135.1131.9155-61.2-175.5000108.3
784E23.5Very low26.5Very low159 Ų159152.9 Ų152.974%0.74378%0.781SS**  trans-97.5165.1177.9-58.2-179.5133.600111.7
785N25.2Very low26.4Very low131 Ų131151.5 Ų151.570%0.70177%0.774SS**  trans72170163-54-57.7000116.9
786Q28.8Very low26.4Very low188 Ų188151.2 Ų151.288%0.87977%0.773SS**  trans58.975.6-177.7-52.7-177.214.100112.8
787H25.1Very low26.3Very low143 Ų143153.2 Ų153.266%0.66278%0.775SS**  cis6795.640.3-129-33.6000113.3
788Y25.4Very low26.5Very low201 Ų201148.5 Ų148.579%0.78876%0.759SS**  trans68.5165.2162.6-68.7-52.7000119.5
789P34.6Very low26.4Very low103 Ų103145.6 Ų145.667%0.66975%0.747SS**  cis-120.3-131-26.331.1-11.9000109.5
790L24.2Very low26.3Very low143 Ų143143.4 Ų143.475%0.74974%0.74SS**  trans73.3113.3171.4-53.4170.6000113
791C23.2Very low26.1Very low103 Ų103144.4 Ų144.470%0.69674%0.74SS**  91.5141.385.8-78.40000111.6
792L24.1Very low25.9Very low143 Ų143143 Ų14375%0.74973%0.732SS**  cis-130.2165.9-9.9-85.5131.2000106.5
793D24.8Very low26Very low143 Ų143141.7 Ų141.777%0.76573%0.725SS**  43.2153.768.7-75.8-40000115.5
794S22.6Very low25.8Very low89 Ų89139 Ų13962%0.62271%0.713SS**  trans69.3142.1-174.178.50000114.3
795N27.2Very low26Very low140 Ų140141.4 Ų141.475%0.74972%0.716SS**  cis65.8127.837.1-62.5-21000113.8
796L25.8Very low26Very low135 Ų135141.4 Ų141.471%0.70772%0.715SS**  trans41.497.2163-71.581.2000117.8T798L796-T798 HydrophobicContact CB-CG2 4.24Å; L796-T798 HydrophobicContact CD2-CG2 4.07Å; L796-T798 HydrophobicContact CG-CG2 4.44Å; L796-T798 PolarHBondContact O-OG1 3.12Å
797W25.7Very low25.9Very low229 Ų229139.6 Ų139.687%0.86771%0.71SS**  trans-119110.4134.1-71.556.5000103.5
798T29.9Very low25.9Very low88 Ų88138.8 Ų138.854%0.5472%0.716SS.*  cis55.6137.526.552.70000114.7L796L796-T798 HydrophobicContact CB-CG2 4.24Å; L796-T798 HydrophobicContact CD2-CG2 4.07Å; L796-T798 HydrophobicContact CG-CG2 4.44Å; L796-T798 PolarHBondContact O-OG1 3.12Å
799N23.8Very low25.9Very low123 Ų123133.2 Ų133.266%0.65871%0.706SS**  trans83.7130.9-168.9-55.1-2.5000113.4
800Q23.8Very low25.4Very low151 Ų151133.4 Ų133.471%0.70670%0.701SS**  cis-161.8-174.3-11.4-128.5148.7-19.700109.1
801D26Very low25.6Very low130 Ų130131.6 Ų131.670%0.69569%0.692SS**  trans71.4107.7165.7-49.4-27.8000115.9
802N25.6Very low25.8Very low134 Ų134131.6 Ų131.672%0.71768%0.681SS**  87.7129.276.5-72.39.6000111.4
803D26.3Very low25.9Very low130 Ų130129.6 Ų129.670%0.69567%0.674SS**  cis-146.6171.72.8-73.6-47.3000111
804D26.4Very low26Very low114 Ų114133.6 Ų133.661%0.6168%0.68SS**  trans15.8142.8150.9-59.3-27.1000120.9
805Y27.4Very low26.4Very low209 Ų209141.4 Ų141.482%0.8270%0.696SS**  cis-136144.137.3-70.3-99.9000110.8
806L25.8Very low26.3Very low130 Ų130139.7 Ų139.768%0.68169%0.693SS**  55.9118.470.7-74.6166.6000111.7
807I26.6Very low26.2Very low151 Ų151137 Ų13777%0.77469%0.685SS**  cis-146.816228.6-91.1143.7000113.6
808T25.1Very low26.2Very low126 Ų126131.1 Ų131.177%0.77368%0.679SS**  trans-66.1-179.2179.6620000115.2
809S24.6Very low26Very low83 Ų83134.7 Ų134.758%0.5868%0.684SS**  cis-170.2154.422.764.80000114.5
810N25.2Very low26.1Very low108 Ų108137 Ų13758%0.57869%0.691SS**  trans63.5151.7144-62.3-20.7000119.5
811N28.4Very low26.1Very low105 Ų105139.6 Ų139.656%0.56170%0.695SS**  cis-161132.84.7-126.5-28.5000113.2
812K25.9Very low26Very low103 Ų103139 Ų13945%0.44869%0.691SS.*  trans63.6103.6132.7-159172.8-59.8-167.70122.4I702 N703 V704I702-K812 PolarHBondContact O-N 3.08Å; N703-K812 WeakPolarHBondContact OD1-CE 3.31Å; N703-K812 PolarHBondContact OD1-NZ 3.41Å; V704-K812 HydrophobicContact CG2-CD 4.13Å; V704-K812 HydrophobicContact CG2-CG 4.06Å
813T26.1Very low26Very low100 Ų100142.2 Ų142.261%0.61370%0.702SS**  trans50.291.614567.20000120.9V704V704-T813 HydrophobicContact CG2-CG2 4.44Å
814Y27.4Very low26.1Very low227 Ų227144 Ų14489%0.8970%0.704SS**  trans-137.9157.5148.7-100.9-98.1000109.6
815R32.2Very low26.1Very low254 Ų254144 Ų14496%0.95871%0.707SS**  trans-118102.7175.6-82.5-176.6172.2175.8-1.5111.3
816P23.5Very low26Very low104 Ų104140.1 Ų140.168%0.67571%0.708SS**  trans-129160.3172.936-19.9000115.7
817S24.7Very low26.1Very low78 Ų78142.8 Ų142.855%0.54571%0.714SS.*  trans-3.4121.616151.60000120.5Y819S817-Y819 WeakPolarHBondContact O-CD2 3.37Å
818S26.2Very low26Very low106 Ų106144.8 Ų144.874%0.74172%0.717SS**PPolyproline II helixtrans-64.4131.9152.954.20000110.8
819Y25.1Very low26.1Very low163 Ų163150.7 Ų150.764%0.63973%0.726SS**PPolyproline II helixtrans-80.9142.7-164.8-94-104.4000116.6S817S817-Y819 WeakPolarHBondContact O-CD2 3.37Å
820E25.3Very low26Very low172 Ų172157.6 Ų157.680%0.80474%0.739SS**PPolyproline II helixtrans-103.1131.7158.6-62.3-178.5112.300109.3
821Y24.2Very low26Very low204 Ų204158.4 Ų158.480%0.874%0.743SS**  trans-149.4111.5146.7-107-89.5000107.6
822L24Very low25.8Very low118 Ų118161.1 Ų161.162%0.61875%0.752SS**  63.59670.5-74.6168.3000114.3
823E26.2Very low25.7Very low202 Ų202161.8 Ų161.894%0.94477%0.765SS**  trans-125.5157.9144.9-142.3-178.6-153.100110.8
824K27.3Very low25.5Very low167 Ų167161.4 Ų161.473%0.72677%0.767SS**  trans-127.9113.7-144.6-90.2176.9177.5166.60115.1
825V26.9Very low25.3Very low113 Ų113161.1 Ų161.169%0.68577%0.766SS**  trans64.5166.2154.8-114.90000114.9K827V825-K827 HydrophobicContact CG1-CG 3.99Å
826P25.2Very low25Very low129 Ų129154.6 Ų154.684%0.83876%0.759SS**  cis-111.4156.849.30.123.6000116.5K828P826-K828 PolarHBondContact O-N 2.92Å
827K27.7Very low25Very low186 Ų186155.4 Ų155.481%0.80977%0.767SS**  trans-77.8112170-57.7167.4-176.6169.70109.5V825V825-K827 HydrophobicContact CG1-CG 3.99Å
828K25.8Very low24.9Very low192 Ų192158.8 Ų158.884%0.83578%0.779SS**  trans-179.893.4150.7-106.3161.9-176.2-178.80113.5P826P826-K828 PolarHBondContact O-N 2.92Å
829W26.3Very low24.8Very low251 Ų251160 Ų16095%0.95177%0.773SS**  175.2162.2112.1-92.427000109.4
830R22.1Very low24.7Very low227 Ų227156.5 Ų156.586%0.85777%0.765SS**  trans-128.5164.1-175.5-82.8-174.4174.5172.7-2.4109.9
831N24.8Very low24.6Very low125 Ų125150.2 Ų150.267%0.66874%0.74SS**  trans70.8159.5166.1-60.96.1000117.4
832E24.4Very low24.6Very low162 Ų162148.3 Ų148.376%0.75773%0.733SS**  trans64.8138.3151.2-73.5150.6-112.900118.9
833T23.9Very low24.9Very low117 Ų117150.1 Ų150.172%0.71874%0.736SS**  cis-157.5165.2-31.7-11.30000109.2
834S22.8Very low24.9Very low92 Ų92144 Ų14464%0.64371%0.707SS**  trans21.1125151.5630000122.5
835Y23.1Very low24.6Very low222 Ų222140.4 Ų140.487%0.87170%0.703SS**  trans72.2128.7145.3-72-62.5000122.8
836S26.2Very low24.4Very low117 Ų117139.3 Ų139.382%0.81869%0.689SS**  trans59.8108.6144.159.70000120.9
837S23.4Very low24.2Very low121 Ų121141.3 Ų141.385%0.84668%0.681SS**  trans-148.3172.7151.465.30000110.6
838N22.6Very low23.8Very low149 Ų149135.2 Ų135.280%0.79766%0.662SS**  trans-113.6147.2-168.4-67.1-70.4000113.6
839Q23.5Very low23.7Very low132 Ų132130 Ų13062%0.61764%0.642SS**  trans29.3130142.2-64.1-172.6-42.800121.1
840N23.4Very low23.6Very low88 Ų88123.9 Ų123.947%0.47163%0.628SS.*  trans77.3150.5144.7-58.4-7.8000117.8I853 Y854N840-I853 PolarHBondContact ND2-O 2.96Å; N840-Y854 PolarHBondContact ND2-N 2.84Å
841S23.9Very low23.7Very low40 Ų40119.5 Ų119.528%0.2862%0.622SS.*  cis-169.2155.7-12.335.40000109.6Y847 S848 I849S841-Y847 WeakPolarHBondContact CB-O 3.43Å; S841-S848 CarbonylContact C-O 3.59Å; S841-S848 WeakPolarHBondContact CB-O 3.5Å; S841-S848 CarbonylContact O-C 3.54Å; S841-S848 VanDerWaalsContact O-C 3.24Å; S841-S848 PolarHBondContact OG-O 3.23Å; S841-I849 PolarHBondContact OG-O 3.29Å
842Y23.2Very low23.6Very low165 Ų165121.6 Ų121.665%0.64763%0.625SS**  cis-174.2129.3-17.2-151.7-44.1000106.5Q844 Y847 S848Y842-Q844 WeakPolarHBondContact CD1-O 3.49Å; Y842-Q844 VanDerWaalsContact CE1-O 3.32Å; Y842-Q844 WeakPolarHBondContact CE1-O 3.48Å; Y842-Y847 WeakPolarHBondContact CB-O 3.43Å; Y842-Y847 CarbonylContact O-C 3.55Å; Y842-S848 VanDerWaalsContact N-N 3.14Å; Y842-S848 PolarHBondContact O-N 3.15Å
843K30.2Very low23.6Very low155 Ų155118.8 Ų118.867%0.67461%0.614SS**SBendtrans-158.9135.9166.5-165.1178.2-170.5177.40110.6D691D691-K843 WeakPolarHBondContact O-CE 3.35Å; D691-K843 PolarHBondContact O-NZ 3.23Å
844Q26Very low23.4Very low74 Ų74120.6 Ų120.635%0.34661%0.609SS.*SBendcis-75.7165.6-19.8-76.8-138.172.900111.1Y842Y842-Q844 WeakPolarHBondContact CD1-O 3.49Å; Y842-Q844 VanDerWaalsContact CE1-O 3.32Å; Y842-Q844 WeakPolarHBondContact CE1-O 3.48Å
845S21.5Very low23.5Very low92 Ų92126.7 Ų126.764%0.64362%0.618SS**SBendcis-113.1101.8-2.2600000111.5
846K21.9Very low23.6Very low89 Ų89120.4 Ų120.439%0.38761%0.606SS.*SBendtrans66.2155.3176.6-67-167.3166.6-175.50118D691D691-K846 WeakPolarHBondContact OD1-CE 3.48Å; D691-K846 IonicContact OD1-NZ 3.35Å; D691-K846 PolarHBondContact OD1-NZ 3.37Å; D691-K846 WeakPolarHBondContact OD2-CE 3.24Å; D691-K846 IonicContact OD2-NZ 2.69Å
847Y21.8Very low23.5Very low172 Ų172122.1 Ų122.168%0.67560%0.603SS**  trans66.767.9174.7-53.9-67.3000113.8S841 Y842S841-Y847 WeakPolarHBondContact CB-O 3.43Å; Y842-Y847 WeakPolarHBondContact CB-O 3.43Å; Y842-Y847 CarbonylContact O-C 3.55Å
848S20.1Very low23.7Very low57 Ų57122 Ų12240%0.39959%0.593SS.*  59.5176.775.686.90000113.6S841 Y842S841-S848 CarbonylContact C-O 3.59Å; S841-S848 WeakPolarHBondContact CB-O 3.5Å; S841-S848 CarbonylContact O-C 3.54Å; S841-S848 VanDerWaalsContact O-C 3.24Å; S841-S848 PolarHBondContact OG-O 3.23Å; Y842-S848 VanDerWaalsContact N-N 3.14Å; Y842-S848 PolarHBondContact O-N 3.15Å
849I22.1Very low23.9Very low82 Ų82118.5 Ų118.542%0.42157%0.574SS.*  trans6899.6171.4-66.3157000110.6S841S841-I849 PolarHBondContact OG-O 3.29Å
850N24.5Very low24Very low123 Ų123118.3 Ų118.366%0.65858%0.576SS**  55.6138.385.4-57-25.1000113.3
851N24.3Very low24.1Very low136 Ų136119.5 Ų119.573%0.72758%0.579SS**SBendtrans38.590.8141.3-63.3-26000117.9
852K23.9Very low24.4Very low168 Ų168122.9 Ų122.973%0.7359%0.593SS**SBendtrans75.5162163-35.4137.4-176.8176.90114.1
853I24.7Very low24.6Very low104 Ų104117.2 Ų117.253%0.53357%0.574SS.*  trans71.3130.8159.4-57.1150.6000114.3N840N840-I853 PolarHBondContact ND2-O 2.96Å
854Y19.5Very low24.3Very low154 Ų154112.6 Ų112.660%0.60456%0.559SS**  -172.9142109.8-94.7-71.6000110.1N840N840-Y854 PolarHBondContact ND2-N 2.84Å
855R23.4Very low24.4Very low221 Ų221110.8 Ų110.883%0.83455%0.551SS**  trans-82.6170.4-167.7-62165.6172.6154-5.7111.9
856S26Very low24.8Very low90 Ų90108.8 Ų108.863%0.62953%0.531SS*.  trans61.1114.6145.657.20000120
857M24Very low24.9Very low152 Ų152108.6 Ų108.675%0.74953%0.531SS*.  -145.967.1127.9-156.2-175.1-135.500109.9I860M857-I860 HydrophobicContact CE-CD1 3.94Å; M857-I860 HydrophobicContact CE-CG1 3.51Å; M857-I860 HydrophobicContact SD-CG1 4.22Å
858D26.7Very low25Very low119 Ų119106.3 Ų106.364%0.63653%0.527SS*.  cis19.686.342.1-84.54.2000113.9
859D26.6Very low25.2Very low75 Ų75107.8 Ų107.840%0.40154%0.538SS..  trans94.674172.8-62.74.7000118.6H861 N863D859-H861 HydrophobicContact CB-CB 4.09Å; D859-H861 WeakPolarHBondContact OD1-CB 3.31Å; D859-H861 IonicContact OD1-CD2 3.05Å; D859-H861 PolarHBondContact OD1-CD2 3.19Å; D859-H861 VanDerWaalsContact OD1-CD2 3.27Å; D859-H861 IonicContact OD1-CG 3.99Å; D859-H861 VanDerWaalsContact OD1-CG 3.28Å; D859-H861 IonicContact OD1-ND1 3.64Å; D859-N863 VanDerWaalsContact CG-ND2 3.32Å; D859-N863 PolarHBondContact OD1-ND2 2.94Å; D859-N863 PolarHBondContact OD2-ND2 3.27Å
860I26.6Very low25.3Very low129 Ų129111.9 Ų111.966%0.66255%0.552SS**  -114.849.2108.4-37.7-179.1000109.5M857M857-I860 HydrophobicContact CE-CD1 3.94Å; M857-I860 HydrophobicContact CE-CG1 3.51Å; M857-I860 HydrophobicContact SD-CG1 4.22Å
861H26.4Very low25.3Very low112 Ų112111.9 Ų111.952%0.51955%0.55SS..SBend-35.7113.1103.6-69.5-124.4000112.5D859 N863D859-H861 HydrophobicContact CB-CB 4.09Å; D859-H861 WeakPolarHBondContact OD1-CB 3.31Å; D859-H861 IonicContact OD1-CD2 3.05Å; D859-H861 PolarHBondContact OD1-CD2 3.19Å; D859-H861 VanDerWaalsContact OD1-CD2 3.27Å; D859-H861 IonicContact OD1-CG 3.99Å; D859-H861 VanDerWaalsContact OD1-CG 3.28Å; D859-H861 IonicContact OD1-ND1 3.64Å; H861-N863 HydrophobicContact CB-CB 3.52Å; H861-N863 VanDerWaalsContact CB-CG 3.45Å; H861-N863 PolarHBondContact ND1-ND2 3.22Å; H861-N863 PolarHBondContact ND1-OD1 2.94Å; H861-N863 VanDerWaalsContact ND1-OD1 3.11Å; H861-N863 PolarHBondContact O-N 3.28Å
862L28.4Very low25.3Very low112 Ų112110.5 Ų110.559%0.58654%0.539SS*.  trans-73.172.5149.4-126.8177.4000107.7N741N741-L862 WeakPolarHBondContact O-CD1 3.34Å; N741-L862 VanDerWaalsContact O-CG 3.27Å; N741-L862 WeakPolarHBondContact O-CG 3.48Å
863N27.6Very low25.3Very low46 Ų46105.5 Ų105.525%0.24652%0.518CS..  trans-73.7156.7-163.5-134.2-10.4000110.8D859 H861D859-N863 VanDerWaalsContact CG-ND2 3.32Å; D859-N863 PolarHBondContact OD1-ND2 2.94Å; D859-N863 PolarHBondContact OD2-ND2 3.27Å; H861-N863 HydrophobicContact CB-CB 3.52Å; H861-N863 VanDerWaalsContact CB-CG 3.45Å; H861-N863 PolarHBondContact ND1-ND2 3.22Å; H861-N863 PolarHBondContact ND1-OD1 2.94Å; H861-N863 VanDerWaalsContact ND1-OD1 3.11Å; H861-N863 PolarHBondContact O-N 3.28Å
864V25.4Very low25.5Very low57 Ų57105.3 Ų105.335%0.34552%0.522SS..  trans5898155.5-171.30000114.6S744 R745S744-V864 VanDerWaalsContact CA-O 3.29Å; S744-V864 WeakPolarHBondContact CA-O 3.26Å; S744-V864 WeakPolarHBondContact CB-O 3.46Å; R745-V864 PolarHBondContact N-O 3.27Å
865N28Very low25.8Very low36 Ų36102.9 Ų102.919%0.19352%0.523CS..  -158.496.197.1-106.1-81.9000111.6R644 R745 R746 E867R644-N865 PolarHBondContact NH2-O 3.45Å; R745-N865 HydrophobicContact CB-CB 3.61Å; R745-N865 PolarHBondContact N-ND2 3.4Å; R745-N865 VanDerWaalsContact N-ND2 3.13Å; R746-N865 WeakPolarHBondContact CG-OD1 3.4Å; R746-N865 PolarHBondContact N-ND2 3.24Å; N865-E867 PolarHBondContact OD1-N 2.96Å
866K28.1Very low26Very low51 Ų5198.9 Ų98.922%0.22252%0.519CS..  -88.4129.9112.5-75.3175.3169.6-178.70106.5I640 Y643 R644I640-K866 VanDerWaalsContact C-NZ 3.3Å; I640-K866 VanDerWaalsContact CA-NZ 3.3Å; I640-K866 HydrophobicContact CB-CD 4.43Å; I640-K866 HydrophobicContact CD1-CD 4.16Å; I640-K866 HydrophobicContact CG1-CD 3.84Å; I640-K866 HydrophobicContact CG2-CD 4.1Å; I640-K866 PolarHBondContact O-NZ 3.4Å; Y643-K866 VanDerWaalsContact C-CE 3.47Å; Y643-K866 WeakPolarHBondContact O-CE 3.43Å; Y643-K866 PolarHBondContact O-NZ 3.39Å; Y643-K866 VanDerWaalsContact O-NZ 3.1Å; R644-K866 VanDerWaalsContact CG-CE 3.46Å; R644-K866 VanDerWaalsContact N-NZ 3.2Å
867E24.5Very low26.1Very low84 Ų84102.4 Ų102.439%0.39352%0.522SS..  trans-174.199.5144.9-100.2-158.2111.100111.1R746 N865R746-E867 WeakPolarHBondContact CD-OE2 3.46Å; R746-E867 IonicContact CZ-OE1 3.63Å; R746-E867 IonicContact CZ-OE2 3.86Å; R746-E867 PolarHBondContact NE-O 3.05Å; R746-E867 VanDerWaalsContact NE-O 3.14Å; R746-E867 IonicContact NE-OE2 2.64Å; R746-E867 IonicContact NH1-OE1 3.53Å; R746-E867 PolarHBondContact NH1-OE1 3.35Å; R746-E867 IonicContact NH1-OE2 2.67Å; R746-E867 PolarHBondContact NH1-OE2 2.87Å; R746-E867 PolarHBondContact NH2-O 3.5Å; N865-E867 PolarHBondContact OD1-N 2.96Å
868Q25.2Very low26.5Very low124 Ų124100.9 Ų100.958%0.57952%0.517SS*.  trans68.2167.7142.6-52.7160.71.600119.6
869S23.6Very low26.7Very low89 Ų89102.8 Ų102.862%0.62252%0.522SS*.  trans59.6110.6169.635.60000116.6
870K23.4Very low26.9Very low167 Ų167105.9 Ų105.973%0.72654%0.535SS*.  cis83149.849.7-74.2-175172.5-174.50113.5
871M24.2Very low27.2Very low124 Ų124107.3 Ų107.361%0.61154%0.536SS*.  trans80.8126.2157-79.3167127.800117.8Q651 I654Q651-M871 PolarHBondContact NE2-O 3.38Å; I654-M871 HydrophobicContact CD1-CE 4.34Å
872E24.2Very low27.5Very low106 Ų106110.3 Ų110.350%0.49555%0.55SS.*  trans49.2144.2176-68.170.1-87.100120.7Q651 I654Q651-E872 PolarHBondContact NE2-O 3.3Å; Q651-E872 VanDerWaalsContact NE2-O 3.09Å; Q651-E872 PolarHBondContact OE1-O 3.45Å; I654-E872 WeakPolarHBondContact CD1-OE1 3.22Å
873H25.5Very low27.4Very low63 Ų63112.2 Ų112.229%0.29256%0.558SS.*  cis-173.5-175.8-32.2-136.1-103.9000107.8S652 D653S652-H873 WeakPolarHBondContact CA-NE2 3.4Å; D653-H873 PolarHBondContact N-CE1 3.29Å; D653-H873 VanDerWaalsContact N-CE1 3.33Å; D653-H873 PolarHBondContact N-NE2 2.91Å; D653-H873 IonicContact OD1-CE1 3.65Å
874T27.4Very low27.6Very low101 Ų101116.4 Ų116.462%0.6258%0.579SS**  trans56.2100.2153.748.90000117.9
875T27.3Very low27.7Very low102 Ų102120.6 Ų120.663%0.62660%0.598SS**  60.7110.676.569.10000115.7
876N27.7Very low27.6Very low138 Ų138123.1 Ų123.174%0.73862%0.619SS**  trans174140142.2-89.9-30.6000107.9
877K28.4Very low27.5Very low163 Ų163126.7 Ų126.771%0.70964%0.644SS**  cis-164.7173.8-9.9-135.1171.5-165.41740109.7
878N32Very low27.6Very low120 Ų120129.4 Ų129.464%0.64266%0.657SS**  trans72.6139.9157-61.8-0.3000118.2
879Q29.7Very low27.8Very low159 Ų159131.7 Ų131.774%0.74367%0.665SS**  cis-164.3-170.3-21.4-128.2156.7-10.700111.2
880E32.2Very low27.9Very low141 Ų141132.2 Ų132.266%0.65967%0.669SS**  trans8490.2175.8-48-93.996.300114
881K33.1Very low28.1Very low159 Ų159132.1 Ų132.169%0.69167%0.668SS**  81.6109.491.1-74.8164.6-173.7163.80112.2
882Q30.7Very low28.3Very low174 Ų174135.3 Ų135.381%0.81368%0.675SS**  60.8132.773.8-71.9-170.5-4.900113.8
883M27.4Very low28.3Very low152 Ų152135 Ų13575%0.74968%0.684SS**  cis-167.2-164.2-14.1-152.4-148.3-59.700109.4
884I30.6Very low28.4Very low134 Ų134136.8 Ų136.869%0.68770%0.704SS**  trans83.388.3159.3-63.6161.1000118.9
885I28.3Very low28.4Very low145 Ų145137.4 Ų137.474%0.74471%0.713SS**  73.6136.2111-68165.7000123.1
886S27.2Very low28.5Very low90 Ų90137.9 Ų137.963%0.62972%0.717SS**  trans76.297.1149.4710000125.4
887T25.8Very low28.5Very low125 Ų125137.1 Ų137.177%0.76772%0.718SS**  81.6152.9115.465.40000124.4
888Q26.9Very low28.5Very low141 Ų141136.4 Ų136.466%0.65972%0.721SS**  trans101.4129.7151.2-58.8-154.216.700119.5
889K28Very low28.3Very low172 Ų172132.5 Ų132.575%0.74870%0.703SS**  trans60.487.1153.1-66.1154.8-179.2158.60115.8
890S26.4Very low28.2Very low100 Ų100133.2 Ų133.270%0.69970%0.701SS**  6912264.187.60000115.3
891K27Very low28.1Very low165 Ų165134.4 Ų134.472%0.71770%0.703SS**  174.1141.1115.5-95.9171.9179.91800111.7
892Y27.8Very low28.1Very low191 Ų191135 Ų13575%0.74971%0.709SS**  trans48.5115.7151.3-59-51.1000118.3
893S24.8Very low27.9Very low99 Ų99129.8 Ų129.869%0.69270%0.702SS**  cis49.11304497.40000112.8
894S28.4Very low28.1Very low102 Ų102130 Ų13071%0.71371%0.705SS**  cis-169147.336.549.70000111.8
895S26.8Very low28Very low113 Ų113131.8 Ų131.879%0.7971%0.71SS**  trans-65.4148.5147.159.30000108.9
896P29.1Very low28.3Very low112 Ų112134.8 Ų134.873%0.72772%0.717SS**  -147.4156.6103.238.5-24.5000116
897T27.6Very low28.4Very low123 Ų123137.8 Ų137.876%0.75573%0.727SS**  trans-60.5139.4149.950.40000110.9
898L29.4Very low28.8Very low147 Ų147137.5 Ų137.577%0.7773%0.729SS**  trans-171.4157.9135-101.5155.3000110.6Q534Q534-L898 HydrophobicContact CG-CD2 3.95Å
899S27.8Very low29.3Very low38 Ų38138.4 Ų138.427%0.26673%0.733SS.*  trans-123.7162-162.364.70000112.4Q534Q534-S899 WeakPolarHBondContact CB-OG 3.38Å; Q534-S899 VanDerWaalsContact CG-OG 3.26Å; Q534-S899 WeakPolarHBondContact CG-OG 3.25Å
900Y27.9Very low29.6Very low175 Ų175136.5 Ų136.569%0.68673%0.73SS**  trans53.7125.9147.4-92.7-107.4000119
901K30.2Very low30Very low165 Ų165139.8 Ų139.872%0.71774%0.738SS**  trans37.5130.6141.9-57.8-169177.8-167.50118.2
902E31.1Very low30.2Very low172 Ų172140.8 Ų140.880%0.80474%0.742SS**  cis-166.4165.243.3-135.9141.5-122.900111
903G28.3Very low30.4Very low65 Ų65141.1 Ų141.167%0.6775%0.747SS**  trans96.1116.5154.200000120.1
904I31.2Very low30.9Very low157 Ų157140.8 Ų140.881%0.80575%0.745SS**  trans70.398.1139.4-51.9171.4000119.2
905Q28.8Very low30.9Very low170 Ų170143.2 Ų143.279%0.79475%0.749SS**  trans44.5117.8135.4-58.2177.5-7.300121.6
906K34.6Very low31.2Very low208 Ų208144.8 Ų144.890%0.90475%0.748SS**  -166154.4107.9-103.6163.3-176.3176.60111.9
907N29.6Very low31.2Very low154 Ų154144.8 Ų144.882%0.82475%0.748SS**  trans-88.5147.6-167.7-59-19.1000113.5
908S34.2Very low31.4Very low118 Ų118143.2 Ų143.283%0.82574%0.742SS**  trans178.8170.6132.638.50000111
909H35.9Very low31.6Very low161 Ų161145.8 Ų145.875%0.74575%0.747SS**  trans-108.3139.3-151.6-72.3-85.8000116.8
910I34Very low31.8Very low132 Ų132155.2 Ų155.268%0.67778%0.777SS**  38.6126.7121.6-44.1169.3000118.6
911I35.1Very low31.7Very low168 Ų168154.9 Ų154.986%0.86279%0.785SS**  -170.7152.6119.2-96.6162.8000111.3
912K30.6Very low31.9Very low187 Ų187153.5 Ų153.581%0.81379%0.786SS**  trans-110.8158.6-173.4-54.4170-178.7172.10112
913K33.9Very low32Very low197 Ų197153.9 Ų153.986%0.85779%0.785SS**  trans-176.1109.7138.2-100.1156.7-177.3-177.80109.8
914S33.7Very low32.3Very low93 Ų93156.9 Ų156.965%0.6579%0.792SS**  58.997.6100.566.30000113.7
915I29.7Very low33.6Very low153 Ų153153.6 Ų153.679%0.78578%0.776SS**  61.712074.6-61174.6000112.8P917I915-P917 HydrophobicContact CG2-CG 3.85Å
916N32Very low35.9Very low146 Ų146146.2 Ų146.278%0.78175%0.746SS**  trans-145.4101.7163.4-168.3-4.1000109.7
917P29.8Very low38.2Very low111 Ų111139.9 Ų139.972%0.72172%0.721SS**  trans-117.791.6-168.136.3-20.9000112.3I915I915-P917 HydrophobicContact CG2-CG 3.85Å
918S31.4Very low40.9Very low91 Ų91134.3 Ų134.364%0.63669%0.69SS**  trans-151.8103.2173.156.30000114.9
919K33.1Very low43.5Very low201 Ų201132.7 Ų132.787%0.87467%0.669SS**SBend175.3137.9125.6-92.9152.5-171.9175.10111.6
920R31.8Very low46Very low236 Ų236128.2 Ų128.289%0.89165%0.649SS**  trans61.995.5175.8-61.9-170.2176.6-175.3-1115.8N922R920-N922 PolarHBondContact O-N 2.96Å
921I26.9Very low48.8Very low167 Ų167122 Ų12286%0.85662%0.616SS**  trans-73.588.7170.9-55.2160.7000108.5K923I921-K923 PolarHBondContact O-N 2.86Å
922N34.4Very low51.5Low137 Ų137114.6 Ų114.673%0.73358%0.579SS**  trans-71.2111.7155.3-756000106.6R920R920-N922 PolarHBondContact O-N 2.96Å
923K32.9Very low54.3Low179 Ų179111.6 Ų111.678%0.77857%0.568SS**  trans-51.8142.6159.9-77.3-177.9176.4178.10107.4I921 I925I921-K923 PolarHBondContact O-N 2.86Å; K923-I925 PolarHBondContact O-N 2.89Å
924P34.6Very low57Low128 Ų128102.3 Ų102.383%0.83153%0.528SS*.  trans-57.4113.1175.824.2-32.9000108.2G926P924-G926 PolarHBondContact O-N 3.33Å
925I59.4Low59.8Low88 Ų8897.9 Ų97.945%0.45150%0.497SS..  trans-54.8128.6179.4-66.6176.9000106.9K923 E929 E930K923-I925 PolarHBondContact O-N 2.89Å; I925-E929 HydrophobicContact CG2-CB 3.6Å; I925-E930 HydrophobicContact CG2-CB 4.28Å
926G77Confident62.6Low16 Ų1693.2 Ų93.217%0.16548%0.478CS..  trans-61.8142.7-179.400000109.7P924 Q928 E929 E930P924-G926 PolarHBondContact O-N 3.33Å; G926-Q928 PolarHBondContact O-N 3.15Å; G926-E929 PolarHBondContact N-OE2 2.77Å; G926-E929 WeakPolarHBondContact O-CA 3.2Å; G926-E929 WeakPolarHBondContact O-CB 3.49Å; G926-E929 PolarHBondContact O-N 2.64Å; G926-E930 PolarHBondContact O-N 3.49Å
927I83Confident65.3Low75 Ų7587.9 Ų87.939%0.38545%0.452SS..Hα-helixtrans-56-32.3179.4-58.3173.1000110.3I931 L953I927-I931 HydrophobicContact CG2-CD1 4.01Å; I927-I931 WeakPolarHBondContact O-CB 3.29Å; I927-I931 VanDerWaalsContact O-CG1 3.26Å; I927-I931 WeakPolarHBondContact O-CG1 3.42Å; I927-I931 PolarHBondContact O-N 3.02Å; I927-L953 HydrophobicContact CG2-CD1 4.08Å; I927-L953 HydrophobicContact CG2-CD2 4.44Å
928Q86.2Confident68Low37 Ų3789.6 Ų89.617%0.17346%0.455CS..Hα-helixtrans-61.1-39.5171.167.1-77.1-0.900114.1G926 L932 S961 I964 I965G926-Q928 PolarHBondContact O-N 3.15Å; Q928-L932 WeakPolarHBondContact O-CD1 3.35Å; Q928-L932 WeakPolarHBondContact O-CG 3.47Å; Q928-L932 PolarHBondContact O-N 2.92Å; Q928-L932 VanDerWaalsContact O-N 3.12Å; Q928-S961 WeakPolarHBondContact CB-O 3.39Å; Q928-I964 HydrophobicContact CB-CG2 4.46Å; Q928-I964 HydrophobicContact CG-CG2 3.9Å; Q928-I965 HydrophobicContact CB-CD1 4.02Å; Q928-I965 HydrophobicContact CB-CG1 3.9Å
929E87.8Confident70.8Confident84 Ų8489.8 Ų89.839%0.39345%0.445SS..Hα-helixtrans-72.9-41.1179.3-65.3167.6160.900110.8I925 G926 L932 Q933I925-E929 HydrophobicContact CG2-CB 3.6Å; G926-E929 PolarHBondContact N-OE2 2.77Å; G926-E929 WeakPolarHBondContact O-CA 3.2Å; G926-E929 WeakPolarHBondContact O-CB 3.49Å; G926-E929 PolarHBondContact O-N 2.64Å; E929-L932 PolarHBondContact O-N 3.07Å; E929-Q933 WeakPolarHBondContact O-CB 3.43Å; E929-Q933 WeakPolarHBondContact O-CG 3.23Å; E929-Q933 PolarHBondContact O-N 3.49Å
930E89.7Confident73.4Confident67 Ų6783.9 Ų83.931%0.31342%0.418SS..Hα-helixtrans-64.3-39.8176-175.1171.2-15500111.8I925 G926 S934 K945 M949I925-E930 HydrophobicContact CG2-CB 4.28Å; G926-E930 PolarHBondContact O-N 3.49Å; E930-S934 WeakPolarHBondContact O-CB 3.46Å; E930-S934 PolarHBondContact O-N 2.79Å; E930-S934 PolarHBondContact O-OG 3.2Å; E930-K945 WeakPolarHBondContact OE1-CE 3.47Å; E930-K945 IonicContact OE1-NZ 3.77Å; E930-K945 PolarHBondContact OE1-NZ 2.81Å; E930-M949 VanDerWaalsContact CD-CE 3.47Å; E930-M949 HydrophobicContact CG-CE 4.1Å; E930-M949 HydrophobicContact CG-SD 4.09Å; E930-M949 WeakPolarHBondContact OE2-CE 3.47Å
931I91Very high76.2Confident0 Ų077.3 Ų77.30%040%0.397CS..Hα-helixtrans-59.9-49.8172.9-75.2167.8000110.8I927 Q933 S934 I935 M949 I950 L953 I965 L975I927-I931 HydrophobicContact CG2-CD1 4.01Å; I927-I931 WeakPolarHBondContact O-CB 3.29Å; I927-I931 VanDerWaalsContact O-CG1 3.26Å; I927-I931 WeakPolarHBondContact O-CG1 3.42Å; I927-I931 PolarHBondContact O-N 3.02Å; I931-Q933 PolarHBondContact O-N 3.5Å; I931-S934 PolarHBondContact O-N 3.1Å; I931-I935 WeakPolarHBondContact O-CB 3.15Å; I931-I935 WeakPolarHBondContact O-CG2 3.27Å; I931-I935 PolarHBondContact O-N 3.46Å; I931-M949 HydrophobicContact CD1-CB 4.09Å; I931-M949 HydrophobicContact CG1-CB 3.71Å; I931-M949 HydrophobicContact CG1-SD 4.31Å; I931-I950 HydrophobicContact CD1-CG1 4.28Å; I931-I950 HydrophobicContact CG1-CG1 4.47Å; I931-I950 HydrophobicContact CG2-CD1 3.95Å; I931-I950 HydrophobicContact CG2-CG1 3.7Å; I931-L953 HydrophobicContact CD1-CD1 3.5Å; I931-L953 VanDerWaalsContact CD1-CD1 3.5Å; I931-I965 HydrophobicContact CB-CD1 4.47Å; I931-I965 HydrophobicContact CG2-CD1 4.07Å; I931-L975 HydrophobicContact CG2-CD1 4.19Å
932L91.9Very high79.2Confident14 Ų1472.6 Ų72.67%0.07337%0.372CS..Hα-helixtrans-65.6-37.1-177.4-69.6166.7000112.5Q928 E929 S936 I965 Y971 I974 L975Q928-L932 WeakPolarHBondContact O-CD1 3.35Å; Q928-L932 WeakPolarHBondContact O-CG 3.47Å; Q928-L932 PolarHBondContact O-N 2.92Å; Q928-L932 VanDerWaalsContact O-N 3.12Å; E929-L932 PolarHBondContact O-N 3.07Å; L932-S936 WeakPolarHBondContact O-CB 3.44Å; L932-S936 PolarHBondContact O-N 3.33Å; L932-S936 PolarHBondContact O-OG 3.32Å; L932-I965 HydrophobicContact CD1-CG1 4.31Å; L932-I965 HydrophobicContact CG-CD1 4.31Å; L932-I965 HydrophobicContact CG-CG1 4.44Å; L932-Y971 HydrophobicContact CD1-CD1 3.59Å; L932-Y971 HydrophobicContact CD1-CD2 4.07Å; L932-Y971 HydrophobicContact CD1-CE1 4.07Å; L932-Y971 HydrophobicContact CD1-CG 3.59Å; L932-Y971 WeakPolarHBondContact CD2-O 3.43Å; L932-I974 HydrophobicContact CB-CG2 4.31Å; L932-I974 HydrophobicContact CD2-CB 3.98Å; L932-I974 HydrophobicContact CD2-CG2 3.7Å; L932-L975 HydrophobicContact CD2-CB 4.4Å
933Q90.2Very high82Confident124 Ų12466.6 Ų66.658%0.57934%0.339SS*.Hα-helixtrans-67.6-49.6173.5-71.5174.711.700111.4E929 I931 S936 S937E929-Q933 WeakPolarHBondContact O-CB 3.43Å; E929-Q933 WeakPolarHBondContact O-CG 3.23Å; E929-Q933 PolarHBondContact O-N 3.49Å; I931-Q933 PolarHBondContact O-N 3.5Å; Q933-S936 PolarHBondContact O-N 3.25Å; Q933-S937 PolarHBondContact O-N 3.1Å
934S90.6Very high84.7Confident2 Ų259 Ų591%0.01431%0.307CS..Hα-helixtrans-70.7-35.1-173.2-50.50000111.9E930 I931 S936 S937 E942 Q943 K945E930-S934 WeakPolarHBondContact O-CB 3.46Å; E930-S934 PolarHBondContact O-N 2.79Å; E930-S934 PolarHBondContact O-OG 3.2Å; I931-S934 PolarHBondContact O-N 3.1Å; S934-S936 VanDerWaalsContact C-N 3.34Å; S934-S936 PolarHBondContact O-N 2.95Å; S934-S937 WeakPolarHBondContact O-CB 3.38Å; S934-S937 PolarHBondContact O-N 2.97Å; S934-E942 CarbonylContact C-O 3.48Å; S934-E942 WeakPolarHBondContact CB-OE2 3.33Å; S934-E942 CarbonylContact O-C 3.46Å; S934-E942 PolarHBondContact OG-OE2 2.91Å; S934-E942 VanDerWaalsContact OG-OE2 3.09Å; S934-Q943 PolarHBondContact O-N 3.42Å; S934-K945 PolarHBondContact OG-NZ 3.31Å
935I91.5Very high87.4Confident0 Ų055.8 Ų55.80%028%0.28CS..Hα-helixtrans-71.8-28.4178.7-156.871.7000112.5I931 S937 A946 T947 I950 G978 T982I931-I935 WeakPolarHBondContact O-CB 3.15Å; I931-I935 WeakPolarHBondContact O-CG2 3.27Å; I931-I935 PolarHBondContact O-N 3.46Å; I935-S937 VanDerWaalsContact C-N 3.29Å; I935-A946 HydrophobicContact CB-CB 3.61Å; I935-A946 HydrophobicContact CD1-CB 3.66Å; I935-A946 HydrophobicContact CG1-CB 4.22Å; I935-T947 HydrophobicContact CD1-CG2 3.71Å; I935-I950 HydrophobicContact CD1-CD1 4.23Å; I935-G978 WeakPolarHBondContact O-CA 3.29Å; I935-T982 HydrophobicContact CD1-CG2 4.07Å
936S89.5Confident89Confident55 Ų5551.6 Ų51.639%0.38526%0.258SS..THydrogen-bonded Turntrans-83.8-3.5179.5-53.20000113.3L932 Q933 S934 I974L932-S936 WeakPolarHBondContact O-CB 3.44Å; L932-S936 PolarHBondContact O-N 3.33Å; L932-S936 PolarHBondContact O-OG 3.32Å; Q933-S936 PolarHBondContact O-N 3.25Å; S934-S936 VanDerWaalsContact C-N 3.34Å; S934-S936 PolarHBondContact O-N 2.95Å; S936-I974 WeakPolarHBondContact OG-CG2 3.31Å
937S89.5Confident89.8Confident34 Ų3450.9 Ų50.924%0.23825%0.251CS..  trans-74.4139.6-178-174.80000111.2Q933 S934 I935 H939 Q943Q933-S937 PolarHBondContact O-N 3.1Å; S934-S937 WeakPolarHBondContact O-CB 3.38Å; S934-S937 PolarHBondContact O-N 2.97Å; I935-S937 VanDerWaalsContact C-N 3.29Å; S937-H939 PolarHBondContact O-N 2.95Å; S937-H939 WeakPolarHBondContact OG-CB 3.39Å; S937-H939 PolarHBondContact OG-N 3.09Å; S937-Q943 WeakPolarHBondContact O-CG 3.43Å; S937-Q943 PolarHBondContact O-NE2 3.42Å
938N85.4Confident90.2Very high147 Ų14749.8 Ų49.879%0.78625%0.246SC*.SBendtrans-69.7-12.9166.3-70.1-30.9000112.2W940N938-W940 PolarHBondContact O-N 3.47Å
939H89.6Confident90.4Very high94 Ų9449.9 Ų49.944%0.43525%0.247SC..SBendtrans-80.8118.8178.3-148.1-110.7000111.1S937 E941 E942 Q943S937-H939 PolarHBondContact O-N 2.95Å; S937-H939 WeakPolarHBondContact OG-CB 3.39Å; S937-H939 PolarHBondContact OG-N 3.09Å; H939-E941 IonicContact CE1-OE2 3.63Å; H939-E941 PolarHBondContact CE1-OE2 3.03Å; H939-E941 IonicContact ND1-OE2 3.67Å; H939-E941 PolarHBondContact ND1-OE2 2.86Å; H939-E941 PolarHBondContact O-N 3Å; H939-E941 VanDerWaalsContact O-N 3.1Å; H939-E942 HydrophobicContact CB-CB 4.48Å; H939-E942 HydrophobicContact CB-CG 4.4Å; H939-E942 PolarHBondContact O-N 3.19Å; H939-Q943 PolarHBondContact O-N 3.16Å
940W88.8Confident90.6Very high77 Ų7745.9 Ų45.929%0.29223%0.228SC..Hα-helixtrans-58.4-26-175.968.1-77.9000114N938 I944 R987 V990N938-W940 PolarHBondContact O-N 3.47Å; W940-I944 HydrophobicContact CE3-CD1 3.61Å; W940-I944 HydrophobicContact CZ3-CD1 3.73Å; W940-I944 WeakPolarHBondContact O-CB 3.4Å; W940-I944 VanDerWaalsContact O-CG1 3.29Å; W940-I944 WeakPolarHBondContact O-CG1 3.44Å; W940-I944 PolarHBondContact O-N 2.93Å; W940-R987 VanDerWaalsContact CD1-CZ 3.44Å; W940-V990 HydrophobicContact CB-CG2 3.86Å; W940-V990 HydrophobicContact CE3-CG2 4.22Å
941E89.6Confident90.7Very high99 Ų9943.3 Ų43.346%0.46322%0.216SC..Hα-helixtrans-74.6-38.1175.7-59.5-179.8146.200112.3H939 I944 K945H939-E941 IonicContact CE1-OE2 3.63Å; H939-E941 PolarHBondContact CE1-OE2 3.03Å; H939-E941 IonicContact ND1-OE2 3.67Å; H939-E941 PolarHBondContact ND1-OE2 2.86Å; H939-E941 PolarHBondContact O-N 3Å; H939-E941 VanDerWaalsContact O-N 3.1Å; E941-I944 CarbonylContact O-C 3.41Å; E941-I944 PolarHBondContact O-N 3.31Å; E941-K945 WeakPolarHBondContact O-CB 3.25Å; E941-K945 PolarHBondContact O-N 2.97Å
942E91.2Very high90.7Very high68 Ų6846 Ų4632%0.31823%0.23SC..Hα-helixtrans-71-38174.7-71.3-63.2132.100110.7S934 H939 I944 K945 A946S934-E942 CarbonylContact C-O 3.48Å; S934-E942 WeakPolarHBondContact CB-OE2 3.33Å; S934-E942 CarbonylContact O-C 3.46Å; S934-E942 PolarHBondContact OG-OE2 2.91Å; S934-E942 VanDerWaalsContact OG-OE2 3.09Å; H939-E942 HydrophobicContact CB-CB 4.48Å; H939-E942 HydrophobicContact CB-CG 4.4Å; H939-E942 PolarHBondContact O-N 3.19Å; E942-I944 VanDerWaalsContact C-N 3.31Å; E942-I944 PolarHBondContact O-N 3.24Å; E942-K945 WeakPolarHBondContact O-CB 3.03Å; E942-K945 PolarHBondContact O-N 3.14Å; E942-K945 IonicContact OE1-NZ 2.73Å; E942-K945 VanDerWaalsContact OE2-CD 3.23Å; E942-K945 WeakPolarHBondContact OE2-CD 3.33Å; E942-K945 IonicContact OE2-NZ 3.47Å; E942-K945 PolarHBondContact OE2-NZ 3.07Å; E942-A946 WeakPolarHBondContact O-CB 3.32Å; E942-A946 PolarHBondContact O-N 3.42Å
943Q92Very high90.6Very high10 Ų1046 Ų465%0.04723%0.23CC..Hα-helixtrans-58.9-41.7169.1-69.9-176.7-8.200111.8S934 S937 H939 T947 T982 V990S934-Q943 PolarHBondContact O-N 3.42Å; S937-Q943 WeakPolarHBondContact O-CG 3.43Å; S937-Q943 PolarHBondContact O-NE2 3.42Å; H939-Q943 PolarHBondContact O-N 3.16Å; Q943-T947 WeakPolarHBondContact O-CB 3.49Å; Q943-T947 WeakPolarHBondContact O-CG2 3.27Å; Q943-T947 PolarHBondContact O-N 2.92Å; Q943-T947 PolarHBondContact O-OG1 3.08Å; Q943-T982 HydrophobicContact CB-CG2 3.77Å; Q943-T982 HydrophobicContact CG-CG2 4.05Å; Q943-V990 HydrophobicContact CB-CG1 4.27Å
944I90.7Very high90.5Very high21 Ų2140.7 Ų40.711%0.10821%0.206CC..Hα-helixtrans-66.8-42.3173.4-76.5171.2000111.2W940 E941 E942 A946 T947 N948 V990W940-I944 HydrophobicContact CE3-CD1 3.61Å; W940-I944 HydrophobicContact CZ3-CD1 3.73Å; W940-I944 WeakPolarHBondContact O-CB 3.4Å; W940-I944 VanDerWaalsContact O-CG1 3.29Å; W940-I944 WeakPolarHBondContact O-CG1 3.44Å; W940-I944 PolarHBondContact O-N 2.93Å; E941-I944 CarbonylContact O-C 3.41Å; E941-I944 PolarHBondContact O-N 3.31Å; E942-I944 VanDerWaalsContact C-N 3.31Å; E942-I944 PolarHBondContact O-N 3.24Å; I944-A946 PolarHBondContact O-N 2.97Å; I944-T947 WeakPolarHBondContact CA-OG1 3.33Å; I944-T947 PolarHBondContact O-OG1 2.89Å; I944-T947 VanDerWaalsContact O-OG1 3.08Å; I944-N948 WeakPolarHBondContact CG2-ND2 3.29Å; I944-N948 WeakPolarHBondContact O-CB 3.43Å; I944-N948 PolarHBondContact O-N 2.93Å; I944-N948 PolarHBondContact O-ND2 3.06Å; I944-N948 VanDerWaalsContact O-ND2 3.16Å; I944-N948 PolarHBondContact O-OD1 3.45Å; I944-V990 HydrophobicContact CD1-CG2 4.02Å; I944-V990 HydrophobicContact CG1-CG2 4.25Å
945K91.5Very high90.3Very high60 Ų6041.7 Ų41.726%0.26121%0.21SC..Hα-helixtrans-59.4-46.8176.9178.4-163.4169.5-154.50111.1E930 S934 E941 E942 N948 M949E930-K945 WeakPolarHBondContact OE1-CE 3.47Å; E930-K945 IonicContact OE1-NZ 3.77Å; E930-K945 PolarHBondContact OE1-NZ 2.81Å; S934-K945 PolarHBondContact OG-NZ 3.31Å; E941-K945 WeakPolarHBondContact O-CB 3.25Å; E941-K945 PolarHBondContact O-N 2.97Å; E942-K945 WeakPolarHBondContact O-CB 3.03Å; E942-K945 PolarHBondContact O-N 3.14Å; E942-K945 IonicContact OE1-NZ 2.73Å; E942-K945 VanDerWaalsContact OE2-CD 3.23Å; E942-K945 WeakPolarHBondContact OE2-CD 3.33Å; E942-K945 IonicContact OE2-NZ 3.47Å; E942-K945 PolarHBondContact OE2-NZ 3.07Å; K945-N948 PolarHBondContact O-N 3.23Å; K945-M949 HydrophobicContact CG-CE 4.05Å; K945-M949 HydrophobicContact CG-SD 4.13Å; K945-M949 WeakPolarHBondContact O-CB 3.33Å; K945-M949 VanDerWaalsContact O-CG 3.26Å; K945-M949 WeakPolarHBondContact O-CG 3.31Å; K945-M949 PolarHBondContact O-N 3.27Å
946A92.7Very high89.8Confident0 Ų044.3 Ų44.30%023%0.232CC..Hα-helixtrans-68.1-47.5178.300000113.2I935 E942 I944 N948 M949 I950I935-A946 HydrophobicContact CB-CB 3.61Å; I935-A946 HydrophobicContact CD1-CB 3.66Å; I935-A946 HydrophobicContact CG1-CB 4.22Å; E942-A946 WeakPolarHBondContact O-CB 3.32Å; E942-A946 PolarHBondContact O-N 3.42Å; I944-A946 PolarHBondContact O-N 2.97Å; A946-N948 VanDerWaalsContact C-N 3.29Å; A946-N948 PolarHBondContact O-N 3.11Å; A946-M949 WeakPolarHBondContact O-CB 3.35Å; A946-M949 PolarHBondContact O-N 2.76Å; A946-I950 WeakPolarHBondContact O-CD1 3.4Å; A946-I950 WeakPolarHBondContact O-CG1 3.38Å; A946-I950 PolarHBondContact O-N 2.86Å
947T92.8Very high89.2Confident0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-59-43.5175.2470000110.7I935 Q943 I944 M949 I950 Q951 T982 N993 T997I935-T947 HydrophobicContact CD1-CG2 3.71Å; Q943-T947 WeakPolarHBondContact O-CB 3.49Å; Q943-T947 WeakPolarHBondContact O-CG2 3.27Å; Q943-T947 PolarHBondContact O-N 2.92Å; Q943-T947 PolarHBondContact O-OG1 3.08Å; I944-T947 WeakPolarHBondContact CA-OG1 3.33Å; I944-T947 PolarHBondContact O-OG1 2.89Å; I944-T947 VanDerWaalsContact O-OG1 3.08Å; T947-M949 PolarHBondContact O-N 2.87Å; T947-I950 PolarHBondContact O-N 3.2Å; T947-Q951 WeakPolarHBondContact O-CB 3.39Å; T947-Q951 WeakPolarHBondContact O-CG 3.23Å; T947-Q951 PolarHBondContact O-N 3.37Å; T947-T982 HydrophobicContact CG2-CG2 4.01Å; T947-N993 HydrophobicContact CG2-CB 4.46Å; T947-N993 PolarHBondContact OG1-ND2 3.09Å; T947-N993 VanDerWaalsContact OG1-ND2 3.07Å; T947-T997 VanDerWaalsContact CB-OG1 3.29Å; T947-T997 WeakPolarHBondContact CB-OG1 3.42Å; T947-T997 HydrophobicContact CG2-CG2 4.38Å; T947-T997 PolarHBondContact O-OG1 2.97Å
948N91.6Very high88.9Confident53 Ų5348 Ų4828%0.28324%0.243SC..Hα-helixtrans-61.8-38.8172.3-69.9-17.9000112.4I944 K945 A946 Q951 N952 N993I944-N948 WeakPolarHBondContact CG2-ND2 3.29Å; I944-N948 WeakPolarHBondContact O-CB 3.43Å; I944-N948 PolarHBondContact O-N 2.93Å; I944-N948 PolarHBondContact O-ND2 3.06Å; I944-N948 VanDerWaalsContact O-ND2 3.16Å; I944-N948 PolarHBondContact O-OD1 3.45Å; K945-N948 PolarHBondContact O-N 3.23Å; A946-N948 VanDerWaalsContact C-N 3.29Å; A946-N948 PolarHBondContact O-N 3.11Å; N948-Q951 PolarHBondContact O-N 3.02Å; N948-N952 VanDerWaalsContact O-CB 3.32Å; N948-N952 WeakPolarHBondContact O-CB 3.46Å; N948-N952 PolarHBondContact O-N 3.48Å; N948-N952 PolarHBondContact O-ND2 2.97Å; N948-N952 PolarHBondContact O-OD1 3.43Å; N948-N993 PolarHBondContact OD1-ND2 3.27Å
949M91.5Very high88.7Confident39 Ų3941.8 Ų41.819%0.19221%0.21CC..Hα-helixtrans-65.6-45177-79.7168.3167.200112.1E930 I931 K945 A946 T947 N952 L953E930-M949 VanDerWaalsContact CD-CE 3.47Å; E930-M949 HydrophobicContact CG-CE 4.1Å; E930-M949 HydrophobicContact CG-SD 4.09Å; E930-M949 WeakPolarHBondContact OE2-CE 3.47Å; I931-M949 HydrophobicContact CD1-CB 4.09Å; I931-M949 HydrophobicContact CG1-CB 3.71Å; I931-M949 HydrophobicContact CG1-SD 4.31Å; K945-M949 HydrophobicContact CG-CE 4.05Å; K945-M949 HydrophobicContact CG-SD 4.13Å; K945-M949 WeakPolarHBondContact O-CB 3.33Å; K945-M949 VanDerWaalsContact O-CG 3.26Å; K945-M949 WeakPolarHBondContact O-CG 3.31Å; K945-M949 PolarHBondContact O-N 3.27Å; A946-M949 WeakPolarHBondContact O-CB 3.35Å; A946-M949 PolarHBondContact O-N 2.76Å; T947-M949 PolarHBondContact O-N 2.87Å; M949-N952 PolarHBondContact O-N 3.48Å; M949-L953 WeakPolarHBondContact O-CG 3.24Å; M949-L953 PolarHBondContact O-N 3.28Å
950I92.1Very high88.6Confident0 Ų044.3 Ų44.30%022%0.22CC..Hα-helixtrans-60.8-47.4174.8-60.8153.2000109.7I931 I935 A946 T947 N952 L953 L954 L962 L975 T997I931-I950 HydrophobicContact CD1-CG1 4.28Å; I931-I950 HydrophobicContact CG1-CG1 4.47Å; I931-I950 HydrophobicContact CG2-CD1 3.95Å; I931-I950 HydrophobicContact CG2-CG1 3.7Å; I935-I950 HydrophobicContact CD1-CD1 4.23Å; A946-I950 WeakPolarHBondContact O-CD1 3.4Å; A946-I950 WeakPolarHBondContact O-CG1 3.38Å; A946-I950 PolarHBondContact O-N 2.86Å; T947-I950 PolarHBondContact O-N 3.2Å; I950-N952 PolarHBondContact O-N 2.99Å; I950-L953 PolarHBondContact O-N 3.26Å; I950-L954 HydrophobicContact CG2-CD1 4.17Å; I950-L954 WeakPolarHBondContact O-CG 3.21Å; I950-L954 PolarHBondContact O-N 2.84Å; I950-L954 VanDerWaalsContact O-N 3.1Å; I950-L962 HydrophobicContact CG2-CD2 4.25Å; I950-L975 HydrophobicContact CD1-CD1 3.55Å; I950-L975 HydrophobicContact CG1-CD1 4.28Å; I950-T997 HydrophobicContact CB-CG2 4.13Å; I950-T997 HydrophobicContact CD1-CG2 3.91Å; I950-T997 HydrophobicContact CG2-CG2 3.86Å
951Q91.4Very high88.4Confident13 Ų1341.3 Ų41.36%0.06121%0.211CC..Hα-helixtrans-57.5-48.9175.7-68.7167.726.200110.8T947 N948 L953 L954 E955 N993 T997 Q1000T947-Q951 WeakPolarHBondContact O-CB 3.39Å; T947-Q951 WeakPolarHBondContact O-CG 3.23Å; T947-Q951 PolarHBondContact O-N 3.37Å; N948-Q951 PolarHBondContact O-N 3.02Å; Q951-L953 VanDerWaalsContact C-N 3.3Å; Q951-L953 PolarHBondContact O-N 3.17Å; Q951-L954 PolarHBondContact O-N 3.3Å; Q951-E955 VanDerWaalsContact O-CB 3.3Å; Q951-E955 WeakPolarHBondContact O-CB 3.06Å; Q951-E955 VanDerWaalsContact O-CG 3.25Å; Q951-E955 WeakPolarHBondContact O-CG 3.33Å; Q951-E955 PolarHBondContact O-N 3.41Å; Q951-N993 PolarHBondContact NE2-O 2.87Å; Q951-T997 PolarHBondContact NE2-OG1 3.17Å; Q951-Q1000 VanDerWaalsContact CA-OE1 3.29Å; Q951-Q1000 VanDerWaalsContact CG-OE1 3.24Å
952N89.8Confident88.3Confident57 Ų5736.6 Ų36.631%0.30519%0.189SC..Hα-helixtrans-59.5-34.4176.9-64.6-29.2000113.5K572 N948 M949 I950 A956K572-N952 VanDerWaalsContact CE-OD1 3.29Å; K572-N952 WeakPolarHBondContact CE-OD1 3.29Å; K572-N952 PolarHBondContact NZ-OD1 3.41Å; N948-N952 VanDerWaalsContact O-CB 3.32Å; N948-N952 WeakPolarHBondContact O-CB 3.46Å; N948-N952 PolarHBondContact O-N 3.48Å; N948-N952 PolarHBondContact O-ND2 2.97Å; N948-N952 PolarHBondContact O-OD1 3.43Å; M949-N952 PolarHBondContact O-N 3.48Å; I950-N952 PolarHBondContact O-N 2.99Å; N952-A956 WeakPolarHBondContact O-CB 3.32Å; N952-A956 PolarHBondContact O-N 2.97Å
953L90Very high88Confident13 Ų1338 Ų387%0.06820%0.195CC..Hα-helixtrans-74.1-38.8179.9-73.1179.6000111.7I927 I931 M949 I950 Q951 A956 M957 N958 L962I927-L953 HydrophobicContact CG2-CD1 4.08Å; I927-L953 HydrophobicContact CG2-CD2 4.44Å; I931-L953 HydrophobicContact CD1-CD1 3.5Å; I931-L953 VanDerWaalsContact CD1-CD1 3.5Å; M949-L953 WeakPolarHBondContact O-CG 3.24Å; M949-L953 PolarHBondContact O-N 3.28Å; I950-L953 PolarHBondContact O-N 3.26Å; Q951-L953 VanDerWaalsContact C-N 3.3Å; Q951-L953 PolarHBondContact O-N 3.17Å; L953-A956 PolarHBondContact O-N 2.78Å; L953-M957 PolarHBondContact O-N 3.09Å; L953-N958 HydrophobicContact CD2-CB 4.29Å; L953-N958 PolarHBondContact O-N 2.95Å; L953-L962 HydrophobicContact CB-CD1 4.01Å; L953-L962 HydrophobicContact CB-CG 4.31Å; L953-L962 HydrophobicContact CD1-CD2 4.14Å; L953-L962 HydrophobicContact CD1-CG 4Å
954L89.5Confident87.8Confident13 Ų1341 Ų417%0.06821%0.211CC..Hα-helixtrans-67-48.1172.7-63.8174.5000110.5I950 Q951 A956 M957 V959 L962 Q1000 Y1004I950-L954 HydrophobicContact CG2-CD1 4.17Å; I950-L954 WeakPolarHBondContact O-CG 3.21Å; I950-L954 PolarHBondContact O-N 2.84Å; I950-L954 VanDerWaalsContact O-N 3.1Å; Q951-L954 PolarHBondContact O-N 3.3Å; L954-A956 PolarHBondContact O-N 3.23Å; L954-M957 PolarHBondContact O-N 3.27Å; L954-V959 HydrophobicContact CD2-CG1 4.23Å; L954-L962 HydrophobicContact CD2-CD1 3.46Å; L954-L962 VanDerWaalsContact CD2-CD1 3.46Å; L954-L962 HydrophobicContact CG-CD1 3.75Å; L954-Q1000 HydrophobicContact CD1-CB 3.73Å; L954-Y1004 HydrophobicContact CD2-CD1 3.88Å; L954-Y1004 HydrophobicContact CD2-CD2 4Å; L954-Y1004 HydrophobicContact CD2-CG 3.57Å
955E85Confident87.6Confident22 Ų2240 Ų4010%0.10321%0.206CC..Hα-helixtrans-59.1-24.7171.1-72.4169.8-149.500113.5K572 V575 Q951K572-E955 WeakPolarHBondContact CA-OE2 3.47Å; K572-E955 WeakPolarHBondContact CB-OE2 3.35Å; K572-E955 WeakPolarHBondContact CD-OE2 3.25Å; K572-E955 WeakPolarHBondContact CG-OE2 3.42Å; V575-E955 HydrophobicContact CB-CB 4.49Å; V575-E955 WeakPolarHBondContact CB-O 3.48Å; V575-E955 WeakPolarHBondContact CG1-O 3.29Å; V575-E955 VanDerWaalsContact CG2-O 3.23Å; V575-E955 WeakPolarHBondContact CG2-O 3.3Å; Q951-E955 VanDerWaalsContact O-CB 3.3Å; Q951-E955 WeakPolarHBondContact O-CB 3.06Å; Q951-E955 VanDerWaalsContact O-CG 3.25Å; Q951-E955 WeakPolarHBondContact O-CG 3.33Å; Q951-E955 PolarHBondContact O-N 3.41Å
956A81.6Confident87.4Confident56 Ų5637.9 Ų37.946%0.46320%0.197SC..THydrogen-bonded Turntrans-91-8.5176.700000113.5N952 L953 L954 N958N952-A956 WeakPolarHBondContact O-CB 3.32Å; N952-A956 PolarHBondContact O-N 2.97Å; L953-A956 PolarHBondContact O-N 2.78Å; L954-A956 PolarHBondContact O-N 3.23Å; A956-N958 HydrophobicContact CB-CB 3.81Å; A956-N958 PolarHBondContact O-N 3.22Å
957M77.5Confident87.1Confident86 Ų8642.6 Ų42.642%0.42423%0.23SC..THydrogen-bonded Turntrans49.120.9-160.5-69.7-68.5-177.700113.5Q488 V579 L953 L954 V959Q488-M957 VanDerWaalsContact OE1-CG 3.28Å; V579-M957 HydrophobicContact CG2-CE 3.73Å; L953-M957 PolarHBondContact O-N 3.09Å; L954-M957 PolarHBondContact O-N 3.27Å; M957-V959 PolarHBondContact O-N 2.99Å
958N81.8Confident86.9Confident80 Ų8045 Ų4543%0.42824%0.242SC..  trans-89.452.8-178.2-172.425.4000110.2L953 A956 K960L953-N958 HydrophobicContact CD2-CB 4.29Å; L953-N958 PolarHBondContact O-N 2.95Å; A956-N958 HydrophobicContact CB-CB 3.81Å; A956-N958 PolarHBondContact O-N 3.22Å; N958-K960 PolarHBondContact O-N 3.45Å; N958-K960 VanDerWaalsContact O-N 3.14Å
959V83.1Confident86.6Confident17 Ų1746.9 Ų46.910%0.10326%0.26CS..THydrogen-bonded Turntrans-76.4-2.3-161.2-65.30000114.5L954 M957 S961 L962 E963 Y1004L954-V959 HydrophobicContact CD2-CG1 4.23Å; M957-V959 PolarHBondContact O-N 2.99Å; V959-S961 VanDerWaalsContact C-N 3.27Å; V959-S961 PolarHBondContact O-N 3.17Å; V959-S961 VanDerWaalsContact O-N 3.14Å; V959-L962 CarbonylContact O-C 3.55Å; V959-L962 WeakPolarHBondContact O-CA 3.18Å; V959-L962 WeakPolarHBondContact O-CB 3.34Å; V959-L962 PolarHBondContact O-N 3.44Å; V959-E963 HydrophobicContact CG2-CG 4.41Å; V959-E963 WeakPolarHBondContact CG2-OE1 3.43Å; V959-E963 WeakPolarHBondContact O-CG 3.05Å; V959-E963 PolarHBondContact O-N 2.98Å; V959-Y1004 HydrophobicContact CB-CE2 4.04Å; V959-Y1004 HydrophobicContact CG1-CD2 4.26Å; V959-Y1004 HydrophobicContact CG1-CE2 3.67Å; V959-Y1004 HydrophobicContact CG2-CE2 4.1Å
960K86Confident86.6Confident147 Ų14751.8 Ų51.864%0.63928%0.28SS*.Hα-helixtrans-50.7-40.3179.5-67.8-171.6174.7-171.90114.5N958 L962 E963 I964N958-K960 PolarHBondContact O-N 3.45Å; N958-K960 VanDerWaalsContact O-N 3.14Å; K960-L962 VanDerWaalsContact C-N 3.3Å; K960-L962 PolarHBondContact O-N 3.34Å; K960-E963 WeakPolarHBondContact CA-OE2 3.31Å; K960-E963 PolarHBondContact O-N 2.96Å; K960-I964 WeakPolarHBondContact O-CD1 3.5Å; K960-I964 VanDerWaalsContact O-CG1 3.26Å; K960-I964 WeakPolarHBondContact O-CG1 3.5Å; K960-I964 PolarHBondContact O-N 2.7Å
961S84.8Confident86.6Confident13 Ų1355.2 Ų55.29%0.09129%0.293CS..Hα-helixtrans-71.6-25.3176.7-62.40000113.1Q928 V959 I965Q928-S961 WeakPolarHBondContact CB-O 3.39Å; V959-S961 VanDerWaalsContact C-N 3.27Å; V959-S961 PolarHBondContact O-N 3.17Å; V959-S961 VanDerWaalsContact O-N 3.14Å; S961-I965 WeakPolarHBondContact O-CG1 3.22Å; S961-I965 PolarHBondContact O-N 2.71Å
962L86.8Confident86.6Confident1 Ų155 Ų551%0.00529%0.293CS..Hα-helixtrans-81.4-38.3172.2-58.9175.8000111.1I950 L953 L954 V959 K960 I964 I965 F966I950-L962 HydrophobicContact CG2-CD2 4.25Å; L953-L962 HydrophobicContact CB-CD1 4.01Å; L953-L962 HydrophobicContact CB-CG 4.31Å; L953-L962 HydrophobicContact CD1-CD2 4.14Å; L953-L962 HydrophobicContact CD1-CG 4Å; L954-L962 HydrophobicContact CD2-CD1 3.46Å; L954-L962 VanDerWaalsContact CD2-CD1 3.46Å; L954-L962 HydrophobicContact CG-CD1 3.75Å; V959-L962 CarbonylContact O-C 3.55Å; V959-L962 WeakPolarHBondContact O-CA 3.18Å; V959-L962 WeakPolarHBondContact O-CB 3.34Å; V959-L962 PolarHBondContact O-N 3.44Å; K960-L962 VanDerWaalsContact C-N 3.3Å; K960-L962 PolarHBondContact O-N 3.34Å; L962-I964 VanDerWaalsContact C-N 3.26Å; L962-I964 PolarHBondContact O-N 2.94Å; L962-I965 HydrophobicContact CD2-CD1 4.36Å; L962-I965 CarbonylContact O-C 3.58Å; L962-I965 WeakPolarHBondContact O-CA 3.19Å; L962-I965 WeakPolarHBondContact O-CB 3.34Å; L962-I965 PolarHBondContact O-N 2.92Å; L962-F966 HydrophobicContact CB-CD2 4.22Å; L962-F966 HydrophobicContact CB-CE2 3.92Å; L962-F966 WeakPolarHBondContact O-CD2 3.14Å; L962-F966 WeakPolarHBondContact O-CG 3.41Å; L962-F966 PolarHBondContact O-N 3.14Å
963E86.4Confident86.7Confident97 Ų9755.5 Ų55.545%0.45330%0.295SS..Hα-helixtrans-56.1-40.4170.8-67.4168.3170.700111.3V959 K960 I965 F966 S967V959-E963 HydrophobicContact CG2-CG 4.41Å; V959-E963 WeakPolarHBondContact CG2-OE1 3.43Å; V959-E963 WeakPolarHBondContact O-CG 3.05Å; V959-E963 PolarHBondContact O-N 2.98Å; K960-E963 WeakPolarHBondContact CA-OE2 3.31Å; K960-E963 PolarHBondContact O-N 2.96Å; E963-I965 VanDerWaalsContact C-N 3.33Å; E963-I965 PolarHBondContact O-N 2.86Å; E963-F966 PolarHBondContact O-N 3.44Å; E963-S967 WeakPolarHBondContact O-CB 3.12Å; E963-S967 PolarHBondContact O-N 2.56Å
964I86.4Confident86.8Confident74 Ų7457.4 Ų57.438%0.37931%0.305SS..Hα-helixtrans-67.1-30.6173.1-66.6163.3000112.5Q928 K960 L962 S967Q928-I964 HydrophobicContact CB-CG2 4.46Å; Q928-I964 HydrophobicContact CG-CG2 3.9Å; K960-I964 WeakPolarHBondContact O-CD1 3.5Å; K960-I964 VanDerWaalsContact O-CG1 3.26Å; K960-I964 WeakPolarHBondContact O-CG1 3.5Å; K960-I964 PolarHBondContact O-N 2.7Å; L962-I964 VanDerWaalsContact C-N 3.26Å; L962-I964 PolarHBondContact O-N 2.94Å; I964-S967 PolarHBondContact O-OG 3.4Å
965I87.3Confident87Confident0 Ų056.8 Ų56.80%030%0.302CS..Hα-helixtrans-74.3-42.4173.6-72.2168.4000110.3Q928 I931 L932 S961 L962 E963 S967 N968 I972 L975Q928-I965 HydrophobicContact CB-CD1 4.02Å; Q928-I965 HydrophobicContact CB-CG1 3.9Å; I931-I965 HydrophobicContact CB-CD1 4.47Å; I931-I965 HydrophobicContact CG2-CD1 4.07Å; L932-I965 HydrophobicContact CD1-CG1 4.31Å; L932-I965 HydrophobicContact CG-CD1 4.31Å; L932-I965 HydrophobicContact CG-CG1 4.44Å; S961-I965 WeakPolarHBondContact O-CG1 3.22Å; S961-I965 PolarHBondContact O-N 2.71Å; L962-I965 HydrophobicContact CD2-CD1 4.36Å; L962-I965 CarbonylContact O-C 3.58Å; L962-I965 WeakPolarHBondContact O-CA 3.19Å; L962-I965 WeakPolarHBondContact O-CB 3.34Å; L962-I965 PolarHBondContact O-N 2.92Å; E963-I965 VanDerWaalsContact C-N 3.33Å; E963-I965 PolarHBondContact O-N 2.86Å; I965-S967 VanDerWaalsContact C-N 3.32Å; I965-S967 PolarHBondContact O-N 3.18Å; I965-N968 PolarHBondContact O-N 3.22Å; I965-N968 VanDerWaalsContact O-O 3.11Å; I965-I972 WeakPolarHBondContact O-CG1 3.4Å; I965-L975 HydrophobicContact CG2-CB 4.29Å; I965-L975 HydrophobicContact CG2-CD2 3.74Å
966F88.2Confident87.4Confident15 Ų1555.7 Ų55.77%0.06630%0.297CS..Hα-helixtrans-72-21.6178.7-66.6-53.3000113.6L962 E963 N968 I972 L975 L1001 Y1004 L1005 L1013L962-F966 HydrophobicContact CB-CD2 4.22Å; L962-F966 HydrophobicContact CB-CE2 3.92Å; L962-F966 WeakPolarHBondContact O-CD2 3.14Å; L962-F966 WeakPolarHBondContact O-CG 3.41Å; L962-F966 PolarHBondContact O-N 3.14Å; E963-F966 PolarHBondContact O-N 3.44Å; F966-N968 PolarHBondContact O-N 2.92Å; F966-I972 HydrophobicContact CD1-CD1 4.23Å; F966-I972 HydrophobicContact CD1-CG1 4.13Å; F966-L975 HydrophobicContact CE1-CD2 4.42Å; F966-L1001 HydrophobicContact CE1-CD1 4.5Å; F966-L1001 HydrophobicContact CE1-CD2 4.39Å; F966-L1001 HydrophobicContact CZ-CD1 3.98Å; F966-L1001 HydrophobicContact CZ-CD2 4.13Å; F966-L1001 HydrophobicContact CZ-CG 3.97Å; F966-Y1004 HydrophobicContact CD2-CE1 4.29Å; F966-Y1004 HydrophobicContact CE2-CD1 4.23Å; F966-Y1004 AromaticContact CE2-CE1 3.77Å; F966-Y1004 HydrophobicContact CE2-CE1 3.77Å; F966-L1005 HydrophobicContact CD1-CD2 4.44Å; F966-L1005 HydrophobicContact CD2-CD2 4.2Å; F966-L1005 HydrophobicContact CE1-CD1 4.01Å; F966-L1005 HydrophobicContact CE1-CD2 4.18Å; F966-L1005 HydrophobicContact CE1-CG 4.49Å; F966-L1005 HydrophobicContact CE2-CD2 3.92Å; F966-L1005 HydrophobicContact CG-CD2 4.47Å; F966-L1005 HydrophobicContact CZ-CD1 4.15Å; F966-L1005 HydrophobicContact CZ-CD2 3.91Å; F966-L1005 HydrophobicContact CZ-CG 4.19Å; F966-L1013 HydrophobicContact CB-CD1 3.99Å; F966-L1013 HydrophobicContact CD1-CD1 4.13Å; F966-L1013 HydrophobicContact CG-CD1 4.2Å
967S86Confident88Confident99 Ų9956.5 Ų56.569%0.69229%0.291SS*.THydrogen-bonded Turntrans-74.3-8.3173.2710000114.3E963 I964 I965E963-S967 WeakPolarHBondContact O-CB 3.12Å; E963-S967 PolarHBondContact O-N 2.56Å; I964-S967 PolarHBondContact O-OG 3.4Å; I965-S967 VanDerWaalsContact C-N 3.32Å; I965-S967 PolarHBondContact O-N 3.18Å
968N87.3Confident88.7Confident50 Ų5052.5 Ų52.527%0.26727%0.271SS..  trans-131.4112.7-176-176.1-19.4000111.7I965 F966 K970 Y971 I972I965-N968 PolarHBondContact O-N 3.22Å; I965-N968 VanDerWaalsContact O-O 3.11Å; F966-N968 PolarHBondContact O-N 2.92Å; N968-K970 PolarHBondContact O-N 2.68Å; N968-K970 VanDerWaalsContact O-N 3.12Å; N968-K970 WeakPolarHBondContact OD1-CB 3.47Å; N968-K970 PolarHBondContact OD1-N 3.2Å; N968-Y971 HydrophobicContact CB-CD2 3.61Å; N968-Y971 HydrophobicContact CB-CE2 4.21Å; N968-Y971 HydrophobicContact CB-CG 3.92Å; N968-Y971 WeakPolarHBondContact ND2-CE2 3.41Å; N968-Y971 WeakPolarHBondContact O-CA 3.21Å; N968-Y971 PolarHBondContact O-N 2.99Å; N968-I972 PolarHBondContact O-N 3Å
969S86.7Confident89.3Confident93 Ų9348.7 Ų48.765%0.6525%0.251SS*.Hα-helixtrans-54.1-34-179.556.90000113.9N973S969-N973 WeakPolarHBondContact O-CB 3.2Å; S969-N973 PolarHBondContact O-N 3.29Å
970K90.7Very high89.8Confident142 Ų14249.4 Ų49.462%0.61725%0.253SS*.Hα-helixtrans-66.6-38.3175.3-174.5177.2179.31780111.8N968 N973 I974N968-K970 PolarHBondContact O-N 2.68Å; N968-K970 VanDerWaalsContact O-N 3.12Å; N968-K970 WeakPolarHBondContact OD1-CB 3.47Å; N968-K970 PolarHBondContact OD1-N 3.2Å; K970-N973 PolarHBondContact O-N 2.68Å; K970-I974 HydrophobicContact CG-CD1 4.13Å; K970-I974 WeakPolarHBondContact O-CD1 3.37Å; K970-I974 VanDerWaalsContact O-CG1 3.26Å; K970-I974 WeakPolarHBondContact O-CG1 3.5Å; K970-I974 PolarHBondContact O-N 3.16Å; K970-I974 VanDerWaalsContact O-N 3.14Å
971Y92.1Very high90Very high71 Ų7146.1 Ų46.128%0.27824%0.24SC..Hα-helixtrans-74.2-38.2178.9-63.3-15.5000111.5L932 N968 L975L932-Y971 HydrophobicContact CD1-CD1 3.59Å; L932-Y971 HydrophobicContact CD1-CD2 4.07Å; L932-Y971 HydrophobicContact CD1-CE1 4.07Å; L932-Y971 HydrophobicContact CD1-CG 3.59Å; L932-Y971 WeakPolarHBondContact CD2-O 3.43Å; N968-Y971 HydrophobicContact CB-CD2 3.61Å; N968-Y971 HydrophobicContact CB-CE2 4.21Å; N968-Y971 HydrophobicContact CB-CG 3.92Å; N968-Y971 WeakPolarHBondContact ND2-CE2 3.41Å; N968-Y971 WeakPolarHBondContact O-CA 3.21Å; N968-Y971 PolarHBondContact O-N 2.99Å; Y971-L975 VanDerWaalsContact O-CB 3.28Å; Y971-L975 WeakPolarHBondContact O-CB 3.24Å; Y971-L975 PolarHBondContact O-N 3.47Å
972I91.5Very high90.4Very high10 Ų1045.5 Ų45.55%0.05124%0.236CC..Hα-helixtrans-57.9-48.5169-55.4179.6000110.4I965 F966 N968 I974 L975 I976 L1013 Y1017I965-I972 WeakPolarHBondContact O-CG1 3.4Å; F966-I972 HydrophobicContact CD1-CD1 4.23Å; F966-I972 HydrophobicContact CD1-CG1 4.13Å; N968-I972 PolarHBondContact O-N 3Å; I972-I974 PolarHBondContact O-N 2.69Å; I972-L975 WeakPolarHBondContact O-CB 3.09Å; I972-L975 PolarHBondContact O-N 3.15Å; I972-I976 HydrophobicContact CG2-CG1 3.98Å; I972-I976 WeakPolarHBondContact O-CG1 3.49Å; I972-I976 PolarHBondContact O-N 2.96Å; I972-L1013 HydrophobicContact CD1-CD2 4.43Å; I972-Y1017 HydrophobicContact CG2-CE2 3.61Å
973N92.1Very high90.6Very high66 Ų6645.5 Ų45.535%0.35324%0.236SC..Hα-helixtrans-59.9-45.4-176.6-169.128.2000112.4S969 K970 I976 H977 Y1017S969-N973 WeakPolarHBondContact O-CB 3.2Å; S969-N973 PolarHBondContact O-N 3.29Å; K970-N973 PolarHBondContact O-N 2.68Å; N973-I976 PolarHBondContact O-N 3.09Å; N973-H977 PolarHBondContact O-CD2 3.43Å; N973-H977 PolarHBondContact O-N 3Å; N973-H977 PolarHBondContact OD1-CD2 2.98Å; N973-H977 PolarHBondContact OD1-NE2 2.7Å; N973-Y1017 WeakPolarHBondContact CA-OH 3.37Å; N973-Y1017 HydrophobicContact CB-CE1 4.42Å; N973-Y1017 PolarHBondContact N-OH 2.83Å
974I92.5Very high90.8Very high53 Ų5345.8 Ų45.827%0.27224%0.236SC..Hα-helixtrans-60.6-47.1174.8-69.2165.9000111L932 S936 K970 I972 I976 G978L932-I974 HydrophobicContact CB-CG2 4.31Å; L932-I974 HydrophobicContact CD2-CB 3.98Å; L932-I974 HydrophobicContact CD2-CG2 3.7Å; S936-I974 WeakPolarHBondContact OG-CG2 3.31Å; K970-I974 HydrophobicContact CG-CD1 4.13Å; K970-I974 WeakPolarHBondContact O-CD1 3.37Å; K970-I974 VanDerWaalsContact O-CG1 3.26Å; K970-I974 WeakPolarHBondContact O-CG1 3.5Å; K970-I974 PolarHBondContact O-N 3.16Å; K970-I974 VanDerWaalsContact O-N 3.14Å; I972-I974 PolarHBondContact O-N 2.69Å; I974-I976 PolarHBondContact O-N 3.04Å; I974-G978 PolarHBondContact O-N 3.13Å
975L93.6Very high90.9Very high0 Ų043.4 Ų43.40%023%0.226CC..Hα-helixtrans-59.2-45.5179-17969.8000111.9I931 L932 I950 I965 F966 Y971 I972 G978 I979 L1001I931-L975 HydrophobicContact CG2-CD1 4.19Å; L932-L975 HydrophobicContact CD2-CB 4.4Å; I950-L975 HydrophobicContact CD1-CD1 3.55Å; I950-L975 HydrophobicContact CG1-CD1 4.28Å; I965-L975 HydrophobicContact CG2-CB 4.29Å; I965-L975 HydrophobicContact CG2-CD2 3.74Å; F966-L975 HydrophobicContact CE1-CD2 4.42Å; Y971-L975 VanDerWaalsContact O-CB 3.28Å; Y971-L975 WeakPolarHBondContact O-CB 3.24Å; Y971-L975 PolarHBondContact O-N 3.47Å; I972-L975 WeakPolarHBondContact O-CB 3.09Å; I972-L975 PolarHBondContact O-N 3.15Å; L975-G978 PolarHBondContact O-N 3.25Å; L975-I979 HydrophobicContact CD1-CD1 4.29Å; L975-I979 HydrophobicContact CG-CD1 4.04Å; L975-I979 VanDerWaalsContact O-CG1 3.29Å; L975-I979 WeakPolarHBondContact O-CG1 3.24Å; L975-I979 PolarHBondContact O-N 2.88Å; L975-L1001 HydrophobicContact CD2-CD1 3.88Å
976I93.6Very high90.8Very high0 Ų051.2 Ų51.20%027%0.266CS..Hα-helixtrans-71.2-43.6-176.6-65.5-59000112.1I972 N973 I974 G978 I979 E980 L1014 Y1017 I1021I972-I976 HydrophobicContact CG2-CG1 3.98Å; I972-I976 WeakPolarHBondContact O-CG1 3.49Å; I972-I976 PolarHBondContact O-N 2.96Å; N973-I976 PolarHBondContact O-N 3.09Å; I974-I976 PolarHBondContact O-N 3.04Å; I976-G978 VanDerWaalsContact C-N 3.33Å; I976-G978 PolarHBondContact O-N 2.72Å; I976-I979 PolarHBondContact O-N 3.28Å; I976-E980 WeakPolarHBondContact O-CB 3.15Å; I976-E980 PolarHBondContact O-N 3.01Å; I976-L1014 HydrophobicContact CD1-CD2 3.71Å; I976-L1014 HydrophobicContact CG1-CD2 4.41Å; I976-Y1017 HydrophobicContact CB-CD1 4Å; I976-Y1017 HydrophobicContact CB-CE1 4.19Å; I976-Y1017 HydrophobicContact CB-CG 4.26Å; I976-Y1017 HydrophobicContact CG1-CD1 4.36Å; I976-Y1017 HydrophobicContact CG1-CD2 4.18Å; I976-Y1017 HydrophobicContact CG1-CE1 4.47Å; I976-Y1017 HydrophobicContact CG1-CE2 4.3Å; I976-Y1017 HydrophobicContact CG1-CG 4.21Å; I976-Y1017 HydrophobicContact CG2-CD1 3.58Å; I976-Y1017 HydrophobicContact CG2-CE1 4.27Å; I976-Y1017 HydrophobicContact CG2-CG 3.73Å; I976-I1021 HydrophobicContact CD1-CD1 4.31Å; I976-I1021 HydrophobicContact CG2-CD1 3.79Å; I976-I1021 HydrophobicContact CG2-CG1 4.17Å
977H93.3Very high90.8Very high72 Ų7257 Ų5733%0.33329%0.288SS..Hα-helixtrans-66.4-34.3174.4-79-56.5000112.5N973 E980 Q981N973-H977 PolarHBondContact O-CD2 3.43Å; N973-H977 PolarHBondContact O-N 3Å; N973-H977 PolarHBondContact OD1-CD2 2.98Å; N973-H977 PolarHBondContact OD1-NE2 2.7Å; H977-E980 IonicContact CE1-OE2 3.81Å; H977-E980 IonicContact CG-OE2 3.21Å; H977-E980 IonicContact ND1-OE2 2.73Å; H977-E980 PolarHBondContact ND1-OE2 2.8Å; H977-E980 WeakPolarHBondContact O-CB 3.29Å; H977-E980 PolarHBondContact O-N 2.73Å; H977-Q981 WeakPolarHBondContact O-CG 3.48Å; H977-Q981 PolarHBondContact O-N 3.3Å
978G92.7Very high90.8Very high2 Ų255 Ų552%0.02127%0.274CS..Hα-helixtrans-61.5-46.5170.500000112.1I935 I974 L975 I976 E980 Q981 T982I935-G978 WeakPolarHBondContact O-CA 3.29Å; I974-G978 PolarHBondContact O-N 3.13Å; L975-G978 PolarHBondContact O-N 3.25Å; I976-G978 VanDerWaalsContact C-N 3.33Å; I976-G978 PolarHBondContact O-N 2.72Å; G978-E980 PolarHBondContact O-N 2.95Å; G978-Q981 WeakPolarHBondContact O-CB 3.31Å; G978-Q981 PolarHBondContact O-N 3.18Å; G978-T982 VanDerWaalsContact O-CG2 3.27Å; G978-T982 WeakPolarHBondContact O-CG2 3.38Å; G978-T982 PolarHBondContact O-N 3.2Å
979I93.1Very high90.9Very high1 Ų157.7 Ų57.71%0.00529%0.285CS..Hα-helixtrans-60.1-44.1174-72.1166.7000111.3L975 I976 Q981 T982 I983 T997 I998 L1001L975-I979 HydrophobicContact CD1-CD1 4.29Å; L975-I979 HydrophobicContact CG-CD1 4.04Å; L975-I979 VanDerWaalsContact O-CG1 3.29Å; L975-I979 WeakPolarHBondContact O-CG1 3.24Å; L975-I979 PolarHBondContact O-N 2.88Å; I976-I979 PolarHBondContact O-N 3.28Å; I979-Q981 PolarHBondContact O-N 3.36Å; I979-T982 PolarHBondContact O-N 3.33Å; I979-T982 VanDerWaalsContact O-N 3.15Å; I979-T982 PolarHBondContact O-OG1 3.36Å; I979-I983 HydrophobicContact CG2-CD1 3.96Å; I979-I983 WeakPolarHBondContact O-CG1 3.5Å; I979-I983 PolarHBondContact O-N 3.47Å; I979-T997 HydrophobicContact CD1-CG2 3.84Å; I979-T997 HydrophobicContact CG1-CG2 4.03Å; I979-I998 HydrophobicContact CG2-CB 3.92Å; I979-I998 HydrophobicContact CG2-CD1 4.44Å; I979-L1001 HydrophobicContact CD1-CD1 4.17Å
980E93.6Very high91.1Very high31 Ų3153.3 Ų53.315%0.14525%0.254CS..Hα-helixtrans-55.3-48.4174.7-172.8-157.8165.100111.7I976 H977 G978 T982 I983 K984 I1020 T1024I976-E980 WeakPolarHBondContact O-CB 3.15Å; I976-E980 PolarHBondContact O-N 3.01Å; H977-E980 IonicContact CE1-OE2 3.81Å; H977-E980 IonicContact CG-OE2 3.21Å; H977-E980 IonicContact ND1-OE2 2.73Å; H977-E980 PolarHBondContact ND1-OE2 2.8Å; H977-E980 WeakPolarHBondContact O-CB 3.29Å; H977-E980 PolarHBondContact O-N 2.73Å; G978-E980 PolarHBondContact O-N 2.95Å; E980-T982 PolarHBondContact O-N 3.49Å; E980-I983 PolarHBondContact O-N 3.4Å; E980-K984 HydrophobicContact CG-CD 4.2Å; E980-K984 WeakPolarHBondContact O-CB 3.34Å; E980-K984 WeakPolarHBondContact O-CG 3.43Å; E980-K984 PolarHBondContact O-N 2.76Å; E980-K984 WeakPolarHBondContact OE1-CE 3.41Å; E980-K984 IonicContact OE1-NZ 3.12Å; E980-K984 PolarHBondContact OE1-NZ 3.24Å; E980-I1020 HydrophobicContact CB-CG2 4.32Å; E980-I1020 HydrophobicContact CG-CG2 3.75Å; E980-I1020 VanDerWaalsContact OE2-CG2 3.28Å; E980-I1020 WeakPolarHBondContact OE2-CG2 3.44Å; E980-T1024 HydrophobicContact CG-CG2 4.37Å
981Q91.8Very high91.1Very high78 Ų7846.5 Ų46.536%0.36422%0.224SC..Hα-helixtrans-59.6-43.7175-72.1179.711.800111.9H977 G978 I979 I983 K984 C985H977-Q981 WeakPolarHBondContact O-CG 3.48Å; H977-Q981 PolarHBondContact O-N 3.3Å; G978-Q981 WeakPolarHBondContact O-CB 3.31Å; G978-Q981 PolarHBondContact O-N 3.18Å; I979-Q981 PolarHBondContact O-N 3.36Å; Q981-I983 VanDerWaalsContact C-N 3.32Å; Q981-I983 PolarHBondContact O-N 3.35Å; Q981-K984 CarbonylContact O-C 3.59Å; Q981-K984 PolarHBondContact O-N 3.27Å; Q981-C985 PolarHBondContact O-N 3.05Å
982T92.7Very high91.1Very high0 Ų045.6 Ų45.60%022%0.224CC..Hα-helixtrans-61-40.8178.267.90000112I935 Q943 T947 G978 I979 E980 C985 V990 C991 G994I935-T982 HydrophobicContact CD1-CG2 4.07Å; Q943-T982 HydrophobicContact CB-CG2 3.77Å; Q943-T982 HydrophobicContact CG-CG2 4.05Å; T947-T982 HydrophobicContact CG2-CG2 4.01Å; G978-T982 VanDerWaalsContact O-CG2 3.27Å; G978-T982 WeakPolarHBondContact O-CG2 3.38Å; G978-T982 PolarHBondContact O-N 3.2Å; I979-T982 PolarHBondContact O-N 3.33Å; I979-T982 VanDerWaalsContact O-N 3.15Å; I979-T982 PolarHBondContact O-OG1 3.36Å; E980-T982 PolarHBondContact O-N 3.49Å; T982-C985 VanDerWaalsContact O-CB 3.32Å; T982-C985 WeakPolarHBondContact O-CB 3.18Å; T982-C985 PolarHBondContact O-N 2.87Å; T982-V990 HydrophobicContact CG2-CG1 4.34Å; T982-V990 CarbonylContact O-C 3.51Å; T982-C991 VanDerWaalsContact O-CA 3.24Å; T982-C991 WeakPolarHBondContact O-CA 3.36Å; T982-C991 PolarHBondContact O-N 3.43Å; T982-G994 WeakPolarHBondContact OG1-CA 3.41Å
983I91.8Very high91.1Very high2 Ų245.7 Ų45.71%0.0123%0.225CC..Hα-helixtrans-69.2-37176.5-59.6165.3000110.9I979 E980 Q981 C985 C991 L995 I998 T1024 L1025 R1028I979-I983 HydrophobicContact CG2-CD1 3.96Å; I979-I983 WeakPolarHBondContact O-CG1 3.5Å; I979-I983 PolarHBondContact O-N 3.47Å; E980-I983 PolarHBondContact O-N 3.4Å; Q981-I983 VanDerWaalsContact C-N 3.32Å; Q981-I983 PolarHBondContact O-N 3.35Å; I983-C985 VanDerWaalsContact C-N 3.33Å; I983-C985 PolarHBondContact O-N 3.21Å; I983-C991 PolarHBondContact O-SG 3.49Å; I983-L995 HydrophobicContact CD1-CD2 4.37Å; I983-L995 HydrophobicContact CG1-CD2 4.25Å; I983-L995 HydrophobicContact CG1-CG 4.39Å; I983-L995 HydrophobicContact CG2-CD2 3.79Å; I983-L995 HydrophobicContact CG2-CG 4.22Å; I983-I998 HydrophobicContact CD1-CG2 3.97Å; I983-T1024 HydrophobicContact CB-CG2 3.86Å; I983-T1024 HydrophobicContact CG2-CG2 3.63Å; I983-L1025 HydrophobicContact CD1-CD2 4.25Å; I983-L1025 HydrophobicContact CG2-CD2 4.49Å; I983-R1028 HydrophobicContact CG2-CG 4.06Å; I983-R1028 VanDerWaalsContact O-CZ 3.25Å; I983-R1028 PolarHBondContact O-NE 2.95Å; I983-R1028 PolarHBondContact O-NH2 2.89Å
984K89.6Confident91.2Very high103 Ų10342.6 Ų42.645%0.44821%0.208SC..Hα-helixtrans-73.6-17.6176.2-72.7-179.1175.9178.10114.1E980 Q981 L986 T1024 R1028E980-K984 HydrophobicContact CG-CD 4.2Å; E980-K984 WeakPolarHBondContact O-CB 3.34Å; E980-K984 WeakPolarHBondContact O-CG 3.43Å; E980-K984 PolarHBondContact O-N 2.76Å; E980-K984 WeakPolarHBondContact OE1-CE 3.41Å; E980-K984 IonicContact OE1-NZ 3.12Å; E980-K984 PolarHBondContact OE1-NZ 3.24Å; Q981-K984 CarbonylContact O-C 3.59Å; Q981-K984 PolarHBondContact O-N 3.27Å; K984-L986 PolarHBondContact O-N 2.89Å; K984-T1024 VanDerWaalsContact CE-OG1 3.24Å; K984-T1024 WeakPolarHBondContact CE-OG1 3.33Å; K984-T1024 HydrophobicContact CG-CG2 3.84Å; K984-R1028 PolarHBondContact O-NH2 2.83Å
985C88.1Confident91.2Very high24 Ų2440.1 Ų40.116%0.16220%0.195CC..  trans-59.5128.9178.5-168.50000112.8Q981 T982 I983 R987 V990 R1028Q981-C985 PolarHBondContact O-N 3.05Å; T982-C985 VanDerWaalsContact O-CB 3.32Å; T982-C985 WeakPolarHBondContact O-CB 3.18Å; T982-C985 PolarHBondContact O-N 2.87Å; I983-C985 VanDerWaalsContact C-N 3.33Å; I983-C985 PolarHBondContact O-N 3.21Å; C985-R987 PolarHBondContact O-N 3.27Å; C985-V990 HydrophobicContact CB-CB 3.86Å; C985-V990 HydrophobicContact CB-CG1 3.67Å; C985-R1028 PolarHBondContact O-NH2 3.32Å
986L85.2Confident91.2Very high164 Ų16444.1 Ų44.186%0.85921%0.212SC*.SBendtrans-65.1-21.8179.7-65.3175.4000113.5K984 S988K984-L986 PolarHBondContact O-N 2.89Å; L986-S988 PolarHBondContact O-N 2.87Å; L986-S988 VanDerWaalsContact O-N 3.13Å
987R87.9Confident91.3Very high136 Ų13644.1 Ų44.151%0.51321%0.212SC..SBendtrans-68.8109173.6-69.6-177.8174.993-2.6108.9W940 C985 H989 V990 C991W940-R987 VanDerWaalsContact CD1-CZ 3.44Å; C985-R987 PolarHBondContact O-N 3.27Å; R987-H989 PolarHBondContact O-N 3.3Å; R987-H989 VanDerWaalsContact O-N 3.08Å; R987-V990 HydrophobicContact CB-CB 4.21Å; R987-V990 HydrophobicContact CB-CG2 3.66Å; R987-V990 WeakPolarHBondContact O-CA 3.19Å; R987-V990 WeakPolarHBondContact O-CB 3.19Å; R987-V990 PolarHBondContact O-N 3.09Å; R987-C991 PolarHBondContact O-N 2.93Å
988S87.1Confident91.3Very high57 Ų5740.7 Ų40.740%0.39920%0.197SC..Hα-helixtrans-54.2-31.6-176.657.30000114.5L986 L992L986-S988 PolarHBondContact O-N 2.87Å; L986-S988 VanDerWaalsContact O-N 3.13Å; S988-L992 WeakPolarHBondContact O-CB 3.49Å; S988-L992 PolarHBondContact O-N 3.29Å
989H88.4Confident91.4Very high107 Ų10742 Ų4250%0.49520%0.202SC..Hα-helixtrans-65.4-40.3173-171.1-48.2000112.7R987 N993R987-H989 PolarHBondContact O-N 3.3Å; R987-H989 VanDerWaalsContact O-N 3.08Å; H989-N993 WeakPolarHBondContact O-CB 3.19Å; H989-N993 PolarHBondContact O-N 2.69Å
990V91.8Very high91.4Very high0 Ų043 Ų430%021%0.207CC..Hα-helixtrans-71.2-45.8179.2-173.90000109.5W940 Q943 I944 T982 C985 R987 L992 N993 G994W940-V990 HydrophobicContact CB-CG2 3.86Å; W940-V990 HydrophobicContact CE3-CG2 4.22Å; Q943-V990 HydrophobicContact CB-CG1 4.27Å; I944-V990 HydrophobicContact CD1-CG2 4.02Å; I944-V990 HydrophobicContact CG1-CG2 4.25Å; T982-V990 HydrophobicContact CG2-CG1 4.34Å; T982-V990 CarbonylContact O-C 3.51Å; C985-V990 HydrophobicContact CB-CB 3.86Å; C985-V990 HydrophobicContact CB-CG1 3.67Å; R987-V990 HydrophobicContact CB-CB 4.21Å; R987-V990 HydrophobicContact CB-CG2 3.66Å; R987-V990 WeakPolarHBondContact O-CA 3.19Å; R987-V990 WeakPolarHBondContact O-CB 3.19Å; R987-V990 PolarHBondContact O-N 3.09Å; V990-L992 VanDerWaalsContact C-N 3.32Å; V990-L992 PolarHBondContact O-N 3.42Å; V990-N993 PolarHBondContact O-N 3.33Å; V990-G994 PolarHBondContact O-N 3.08Å
991C91.5Very high91.4Very high0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-55.2-46.9173.2-177.10000111.5T982 I983 R987 G994 L995 L1038T982-C991 VanDerWaalsContact O-CA 3.24Å; T982-C991 WeakPolarHBondContact O-CA 3.36Å; T982-C991 PolarHBondContact O-N 3.43Å; I983-C991 PolarHBondContact O-SG 3.49Å; R987-C991 PolarHBondContact O-N 2.93Å; C991-G994 PolarHBondContact O-N 2.63Å; C991-L995 WeakPolarHBondContact O-CB 3.16Å; C991-L995 WeakPolarHBondContact O-CG 3.39Å; C991-L995 PolarHBondContact O-N 2.9Å; C991-L1038 HydrophobicContact CB-CD1 4.49Å; C991-L1038 HydrophobicContact CB-CD2 4.27Å
992L91.1Very high91.5Very high51 Ų5138 Ų3827%0.26718%0.183SC..Hα-helixtrans-64.3-39.4178.2-178.861.7000112.6S988 V990 K996 L1038 E1041S988-L992 WeakPolarHBondContact O-CB 3.49Å; S988-L992 PolarHBondContact O-N 3.29Å; V990-L992 VanDerWaalsContact C-N 3.32Å; V990-L992 PolarHBondContact O-N 3.42Å; L992-K996 WeakPolarHBondContact O-CB 3.29Å; L992-K996 WeakPolarHBondContact O-CG 3.46Å; L992-K996 PolarHBondContact O-N 2.97Å; L992-L1038 HydrophobicContact CB-CD2 4.29Å; L992-E1041 HydrophobicContact CD1-CB 4.34Å; L992-E1041 HydrophobicContact CD1-CG 3.79Å
993N91.3Very high91.4Very high13 Ų1340.7 Ų40.77%0.0719%0.194CC..Hα-helixtrans-64.9-42.9174-99.539.6000111.8T947 N948 Q951 H989 V990 K996 T997T947-N993 HydrophobicContact CG2-CB 4.46Å; T947-N993 PolarHBondContact OG1-ND2 3.09Å; T947-N993 VanDerWaalsContact OG1-ND2 3.07Å; N948-N993 PolarHBondContact OD1-ND2 3.27Å; Q951-N993 PolarHBondContact NE2-O 2.87Å; H989-N993 WeakPolarHBondContact O-CB 3.19Å; H989-N993 PolarHBondContact O-N 2.69Å; V990-N993 PolarHBondContact O-N 3.33Å; N993-K996 PolarHBondContact O-N 3.38Å; N993-T997 WeakPolarHBondContact O-CB 3.49Å; N993-T997 PolarHBondContact O-N 3.46Å; N993-T997 PolarHBondContact O-OG1 3.05Å
994G93.7Very high91.4Very high0 Ų041.6 Ų41.60%020%0.198CC..Hα-helixtrans-60.7-47.5175.100000113.1T982 V990 C991 K996 T997 I998T982-G994 WeakPolarHBondContact OG1-CA 3.41Å; V990-G994 PolarHBondContact O-N 3.08Å; C991-G994 PolarHBondContact O-N 2.63Å; G994-K996 VanDerWaalsContact C-N 3.3Å; G994-K996 PolarHBondContact O-N 3.01Å; G994-T997 PolarHBondContact O-N 3.44Å; G994-I998 PolarHBondContact O-N 3.45Å
995L94.3Very high91.5Very high1 Ų136.7 Ų36.71%0.00518%0.176CC..Hα-helixtrans-59-39.4176.5-72.2173.6000112.2I983 C991 I998 Q999 L1025 L1038 E1041 S1042 S1045I983-L995 HydrophobicContact CD1-CD2 4.37Å; I983-L995 HydrophobicContact CG1-CD2 4.25Å; I983-L995 HydrophobicContact CG1-CG 4.39Å; I983-L995 HydrophobicContact CG2-CD2 3.79Å; I983-L995 HydrophobicContact CG2-CG 4.22Å; C991-L995 WeakPolarHBondContact O-CB 3.16Å; C991-L995 WeakPolarHBondContact O-CG 3.39Å; C991-L995 PolarHBondContact O-N 2.9Å; L995-I998 VanDerWaalsContact O-CG2 3.31Å; L995-I998 WeakPolarHBondContact O-CG2 3.47Å; L995-Q999 VanDerWaalsContact O-CB 3.3Å; L995-Q999 WeakPolarHBondContact O-CB 3.24Å; L995-Q999 PolarHBondContact O-N 2.99Å; L995-L1025 HydrophobicContact CD2-CD2 3.27Å; L995-L1038 HydrophobicContact CD1-CD2 4.44Å; L995-E1041 HydrophobicContact CD1-CB 4.11Å; L995-S1042 WeakPolarHBondContact CD1-OG 3.36Å; L995-S1045 PolarHBondContact O-OG 2.91Å
996K93.2Very high91.5Very high84 Ų8437.3 Ų37.337%0.36518%0.178SC..Hα-helixtrans-69.2-45.6173.5-79.3178.9157.2-142.20113.2L992 N993 G994 Q999 Q1000L992-K996 WeakPolarHBondContact O-CB 3.29Å; L992-K996 WeakPolarHBondContact O-CG 3.46Å; L992-K996 PolarHBondContact O-N 2.97Å; N993-K996 PolarHBondContact O-N 3.38Å; G994-K996 VanDerWaalsContact C-N 3.3Å; G994-K996 PolarHBondContact O-N 3.01Å; K996-Q999 PolarHBondContact O-N 3.36Å; K996-Q1000 PolarHBondContact O-N 2.85Å
997T94.3Very high91.5Very high0 Ų031.5 Ų31.50%015%0.153CC..Hα-helixtrans-62.8-43.7-179.5-70.50000111T947 I950 Q951 I979 N993 G994 Q999 L1001T947-T997 VanDerWaalsContact CB-OG1 3.29Å; T947-T997 WeakPolarHBondContact CB-OG1 3.42Å; T947-T997 HydrophobicContact CG2-CG2 4.38Å; T947-T997 PolarHBondContact O-OG1 2.97Å; I950-T997 HydrophobicContact CB-CG2 4.13Å; I950-T997 HydrophobicContact CD1-CG2 3.91Å; I950-T997 HydrophobicContact CG2-CG2 3.86Å; Q951-T997 PolarHBondContact NE2-OG1 3.17Å; I979-T997 HydrophobicContact CD1-CG2 3.84Å; I979-T997 HydrophobicContact CG1-CG2 4.03Å; N993-T997 WeakPolarHBondContact O-CB 3.49Å; N993-T997 PolarHBondContact O-N 3.46Å; N993-T997 PolarHBondContact O-OG1 3.05Å; G994-T997 PolarHBondContact O-N 3.44Å; T997-Q999 VanDerWaalsContact C-N 3.33Å; T997-Q999 PolarHBondContact O-N 3.19Å; T997-L1001 WeakPolarHBondContact O-CB 3.21Å; T997-L1001 PolarHBondContact O-N 3.45Å
998I94.9Very high91.4Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-65.2-37.8174-167.257.8000111.6I979 I983 G994 L995 L1001 C1002 I1021 Y1049I979-I998 HydrophobicContact CG2-CB 3.92Å; I979-I998 HydrophobicContact CG2-CD1 4.44Å; I983-I998 HydrophobicContact CD1-CG2 3.97Å; G994-I998 PolarHBondContact O-N 3.45Å; L995-I998 VanDerWaalsContact O-CG2 3.31Å; L995-I998 WeakPolarHBondContact O-CG2 3.47Å; I998-L1001 PolarHBondContact O-N 2.78Å; I998-C1002 VanDerWaalsContact O-CB 3.3Å; I998-C1002 WeakPolarHBondContact O-CB 3.31Å; I998-C1002 PolarHBondContact O-N 3.06Å; I998-C1002 PolarHBondContact O-SG 3.25Å; I998-I1021 HydrophobicContact CD1-CD1 4.13Å; I998-I1021 HydrophobicContact CG1-CG2 4.25Å; I998-Y1049 HydrophobicContact CD1-CD2 4.31Å; I998-Y1049 HydrophobicContact CG1-CD2 4.27Å
999Q94Very high91.3Very high30 Ų3030.6 Ų30.614%0.1415%0.154CC..Hα-helixtrans-63.2-53.9178.4-176.7-179.5600112.4L995 K996 T997 L1001 C1002 Y1003 A1048L995-Q999 VanDerWaalsContact O-CB 3.3Å; L995-Q999 WeakPolarHBondContact O-CB 3.24Å; L995-Q999 PolarHBondContact O-N 2.99Å; K996-Q999 PolarHBondContact O-N 3.36Å; T997-Q999 VanDerWaalsContact C-N 3.33Å; T997-Q999 PolarHBondContact O-N 3.19Å; Q999-L1001 VanDerWaalsContact C-N 3.31Å; Q999-L1001 PolarHBondContact O-N 3.34Å; Q999-C1002 PolarHBondContact O-N 3.17Å; Q999-Y1003 HydrophobicContact CG-CD2 4.13Å; Q999-Y1003 HydrophobicContact CG-CE1 4.38Å; Q999-Y1003 HydrophobicContact CG-CE2 3.53Å; Q999-Y1003 PolarHBondContact NE2-OH 3.3Å; Q999-Y1003 VanDerWaalsContact O-CG 3.28Å; Q999-Y1003 PolarHBondContact O-N 3.21Å; Q999-A1048 HydrophobicContact CG-CB 3.99Å
1000Q92.4Very high91.2Very high23 Ų2329.3 Ų29.311%0.10715%0.148CC..Hα-helixtrans-60.9-39.5176.6-77.2-178.4-1300111.8D576 Q951 L954 K996 Y1003 Y1004D576-Q1000 PolarHBondContact OD1-NE2 2.92Å; Q951-Q1000 VanDerWaalsContact CA-OE1 3.29Å; Q951-Q1000 VanDerWaalsContact CG-OE1 3.24Å; L954-Q1000 HydrophobicContact CD1-CB 3.73Å; K996-Q1000 PolarHBondContact O-N 2.85Å; Q1000-Y1003 PolarHBondContact O-N 2.66Å; Q1000-Y1004 WeakPolarHBondContact O-CB 3.31Å; Q1000-Y1004 PolarHBondContact O-N 3.18Å
1001L93.7Very high90.9Very high1 Ų129.5 Ų29.51%0.00515%0.15CC..Hα-helixtrans-66.1-43.2179.2-172.9153.4000111.6F966 L975 I979 T997 I998 Q999 Y1003 Y1004 L1005 L1014F966-L1001 HydrophobicContact CE1-CD1 4.5Å; F966-L1001 HydrophobicContact CE1-CD2 4.39Å; F966-L1001 HydrophobicContact CZ-CD1 3.98Å; F966-L1001 HydrophobicContact CZ-CD2 4.13Å; F966-L1001 HydrophobicContact CZ-CG 3.97Å; L975-L1001 HydrophobicContact CD2-CD1 3.88Å; I979-L1001 HydrophobicContact CD1-CD1 4.17Å; T997-L1001 WeakPolarHBondContact O-CB 3.21Å; T997-L1001 PolarHBondContact O-N 3.45Å; I998-L1001 PolarHBondContact O-N 2.78Å; Q999-L1001 VanDerWaalsContact C-N 3.31Å; Q999-L1001 PolarHBondContact O-N 3.34Å; L1001-Y1003 VanDerWaalsContact C-N 3.35Å; L1001-Y1004 PolarHBondContact O-N 3.29Å; L1001-L1005 HydrophobicContact CD2-CD1 3.63Å; L1001-L1005 HydrophobicContact CD2-CG 4.19Å; L1001-L1005 WeakPolarHBondContact O-CB 3.28Å; L1001-L1005 WeakPolarHBondContact O-CG 3.16Å; L1001-L1005 PolarHBondContact O-N 2.8Å; L1001-L1014 HydrophobicContact CD2-CD1 3.96Å; L1001-L1014 HydrophobicContact CD2-CD2 4.09Å
1002C94.4Very high90.8Very high1 Ų134.9 Ų34.91%0.00718%0.175CC..Hα-helixtrans-61.5-42.1173.6-74.30000112.1I998 Q999 N1006 L1014 Y1049 C1052I998-C1002 VanDerWaalsContact O-CB 3.3Å; I998-C1002 WeakPolarHBondContact O-CB 3.31Å; I998-C1002 PolarHBondContact O-N 3.06Å; I998-C1002 PolarHBondContact O-SG 3.25Å; Q999-C1002 PolarHBondContact O-N 3.17Å; C1002-N1006 WeakPolarHBondContact O-CB 3.47Å; C1002-N1006 PolarHBondContact O-N 3.27Å; C1002-L1014 VanDerWaalsContact SG-CD1 3.58Å; C1002-Y1049 VanDerWaalsContact SG-CD2 3.55Å; C1002-C1052 HydrophobicContact CB-CB 3.89Å; C1002-C1052 PolarHBondContact O-SG 2.7Å
1003Y90.9Very high90.8Very high57 Ų5734.4 Ų34.422%0.22417%0.173CC..Hα-helixtrans-67.3-44.3178.5-60.9-30.5000112.5E583 Q999 Q1000 L1001 L1005 N1006 A1007 A1048E583-Y1003 WeakPolarHBondContact OE1-CB 3.37Å; E583-Y1003 WeakPolarHBondContact OE2-CD2 3.32Å; Q999-Y1003 HydrophobicContact CG-CD2 4.13Å; Q999-Y1003 HydrophobicContact CG-CE1 4.38Å; Q999-Y1003 HydrophobicContact CG-CE2 3.53Å; Q999-Y1003 PolarHBondContact NE2-OH 3.3Å; Q999-Y1003 VanDerWaalsContact O-CG 3.28Å; Q999-Y1003 PolarHBondContact O-N 3.21Å; Q1000-Y1003 PolarHBondContact O-N 2.66Å; L1001-Y1003 VanDerWaalsContact C-N 3.35Å; Y1003-L1005 PolarHBondContact O-N 3.21Å; Y1003-N1006 WeakPolarHBondContact O-CB 3.44Å; Y1003-N1006 PolarHBondContact O-N 3.41Å; Y1003-N1006 VanDerWaalsContact O-N 3.13Å; Y1003-A1007 PolarHBondContact O-N 3.27Å; Y1003-A1048 HydrophobicContact CD1-CB 4.04Å; Y1003-A1048 HydrophobicContact CE1-CB 3.42Å; Y1003-A1048 VanDerWaalsContact CE1-CB 3.42Å
1004Y91Very high90.8Very high22 Ų2233.8 Ų33.89%0.08617%0.169CC..Hα-helixtrans-56.3-50.2173165.2-104.8000112.1L954 V959 F966 Q1000 L1001 N1006 A1007 I1008L954-Y1004 HydrophobicContact CD2-CD1 3.88Å; L954-Y1004 HydrophobicContact CD2-CD2 4Å; L954-Y1004 HydrophobicContact CD2-CG 3.57Å; V959-Y1004 HydrophobicContact CB-CE2 4.04Å; V959-Y1004 HydrophobicContact CG1-CD2 4.26Å; V959-Y1004 HydrophobicContact CG1-CE2 3.67Å; V959-Y1004 HydrophobicContact CG2-CE2 4.1Å; F966-Y1004 HydrophobicContact CD2-CE1 4.29Å; F966-Y1004 HydrophobicContact CE2-CD1 4.23Å; F966-Y1004 AromaticContact CE2-CE1 3.77Å; F966-Y1004 HydrophobicContact CE2-CE1 3.77Å; Q1000-Y1004 WeakPolarHBondContact O-CB 3.31Å; Q1000-Y1004 PolarHBondContact O-N 3.18Å; L1001-Y1004 PolarHBondContact O-N 3.29Å; Y1004-N1006 PolarHBondContact O-N 3.39Å; Y1004-A1007 PolarHBondContact O-N 3.49Å; Y1004-I1008 HydrophobicContact CD2-CG2 4.47Å; Y1004-I1008 HydrophobicContact CE1-CD1 3.85Å; Y1004-I1008 HydrophobicContact CE2-CD1 4.36Å; Y1004-I1008 HydrophobicContact CE2-CG2 4Å; Y1004-I1008 PolarHBondContact O-N 2.89Å; Y1004-I1008 VanDerWaalsContact O-N 3.09Å
1005L91.6Very high90.7Very high0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-63.6-28178.1-71.9-175.7000112.8F966 L1001 Y1003 I1008 N1009 Q1010 G1011 L1013 L1014F966-L1005 HydrophobicContact CD1-CD2 4.44Å; F966-L1005 HydrophobicContact CD2-CD2 4.2Å; F966-L1005 HydrophobicContact CE1-CD1 4.01Å; F966-L1005 HydrophobicContact CE1-CD2 4.18Å; F966-L1005 HydrophobicContact CE1-CG 4.49Å; F966-L1005 HydrophobicContact CE2-CD2 3.92Å; F966-L1005 HydrophobicContact CG-CD2 4.47Å; F966-L1005 HydrophobicContact CZ-CD1 4.15Å; F966-L1005 HydrophobicContact CZ-CD2 3.91Å; F966-L1005 HydrophobicContact CZ-CG 4.19Å; L1001-L1005 HydrophobicContact CD2-CD1 3.63Å; L1001-L1005 HydrophobicContact CD2-CG 4.19Å; L1001-L1005 WeakPolarHBondContact O-CB 3.28Å; L1001-L1005 WeakPolarHBondContact O-CG 3.16Å; L1001-L1005 PolarHBondContact O-N 2.8Å; Y1003-L1005 PolarHBondContact O-N 3.21Å; L1005-I1008 HydrophobicContact CD2-CD1 4.12Å; L1005-I1008 HydrophobicContact CD2-CG1 4.48Å; L1005-N1009 CarbonylContact O-C 3.55Å; L1005-N1009 PolarHBondContact O-N 3.25Å; L1005-Q1010 HydrophobicContact CD2-CB 4.1Å; L1005-Q1010 CarbonylContact O-C 3.6Å; L1005-Q1010 PolarHBondContact O-N 3.39Å; L1005-G1011 PolarHBondContact O-N 2.96Å; L1005-G1011 VanDerWaalsContact O-N 3.13Å; L1005-L1013 HydrophobicContact CD2-CD1 4.31Å; L1005-L1014 HydrophobicContact CD1-CD1 3.88Å; L1005-L1014 HydrophobicContact CD1-CD2 4.03Å; L1005-L1014 HydrophobicContact CD1-CG 3.69Å
1006N88.2Confident90.6Very high36 Ų3640 Ų4019%0.19321%0.21CC..Hα-helixtrans-72.9-45174.3-151.7-7.6000111.2C1002 Y1003 Y1004 I1008 N1009 S1051C1002-N1006 WeakPolarHBondContact O-CB 3.47Å; C1002-N1006 PolarHBondContact O-N 3.27Å; Y1003-N1006 WeakPolarHBondContact O-CB 3.44Å; Y1003-N1006 PolarHBondContact O-N 3.41Å; Y1003-N1006 VanDerWaalsContact O-N 3.13Å; Y1004-N1006 PolarHBondContact O-N 3.39Å; N1006-I1008 VanDerWaalsContact C-N 3.3Å; N1006-I1008 PolarHBondContact O-N 2.93Å; N1006-N1009 PolarHBondContact O-N 2.92Å; N1006-S1051 PolarHBondContact ND2-O 2.92Å
1007A85.4Confident90.6Very high42 Ų4237.1 Ų37.135%0.34720%0.197SC..Hα-helixtrans-58.7-37.9176.400000112.8Y1003 Y1004Y1003-A1007 PolarHBondContact O-N 3.27Å; Y1004-A1007 PolarHBondContact O-N 3.49Å
1008I86.5Confident90.5Very high63 Ų6337.2 Ų37.232%0.32320%0.198SC..THydrogen-bonded Turntrans-88.75.7174.270.3167.4000114.4Y1004 L1005 N1006 Q1010Y1004-I1008 HydrophobicContact CD2-CG2 4.47Å; Y1004-I1008 HydrophobicContact CE1-CD1 3.85Å; Y1004-I1008 HydrophobicContact CE2-CD1 4.36Å; Y1004-I1008 HydrophobicContact CE2-CG2 4Å; Y1004-I1008 PolarHBondContact O-N 2.89Å; Y1004-I1008 VanDerWaalsContact O-N 3.09Å; L1005-I1008 HydrophobicContact CD2-CD1 4.12Å; L1005-I1008 HydrophobicContact CD2-CG1 4.48Å; N1006-I1008 VanDerWaalsContact C-N 3.3Å; N1006-I1008 PolarHBondContact O-N 2.93Å; I1008-Q1010 HydrophobicContact CD1-CB 3.93Å; I1008-Q1010 HydrophobicContact CD1-CG 3.82Å; I1008-Q1010 HydrophobicContact CG1-CB 3.89Å; I1008-Q1010 HydrophobicContact CG1-CG 3.91Å; I1008-Q1010 PolarHBondContact O-N 3.02Å
1009N84.4Confident90.4Very high112 Ų11240.8 Ų40.860%0.59921%0.214SC*.THydrogen-bonded Turntrans58.323.2-177.4-58.5-90.5000115.5L1005 N1006L1005-N1009 CarbonylContact O-C 3.55Å; L1005-N1009 PolarHBondContact O-N 3.25Å; N1006-N1009 PolarHBondContact O-N 2.92Å
1010Q87.1Confident90.3Very high79 Ų7941.6 Ų41.637%0.36922%0.219SC..  trans-102.113.8178.8-63.3-173.22.700114.4L1005 I1008 H1012 L1013L1005-Q1010 HydrophobicContact CD2-CB 4.1Å; L1005-Q1010 CarbonylContact O-C 3.6Å; L1005-Q1010 PolarHBondContact O-N 3.39Å; I1008-Q1010 HydrophobicContact CD1-CB 3.93Å; I1008-Q1010 HydrophobicContact CD1-CG 3.82Å; I1008-Q1010 HydrophobicContact CG1-CB 3.89Å; I1008-Q1010 HydrophobicContact CG1-CG 3.91Å; I1008-Q1010 PolarHBondContact O-N 3.02Å; Q1010-H1012 PolarHBondContact O-N 2.85Å; Q1010-L1013 HydrophobicContact CB-CD1 3.97Å; Q1010-L1013 HydrophobicContact CB-CG 4.36Å; Q1010-L1013 WeakPolarHBondContact O-CB 3.29Å; Q1010-L1013 VanDerWaalsContact O-CG 3.31Å; Q1010-L1013 WeakPolarHBondContact O-CG 3.23Å; Q1010-L1013 PolarHBondContact O-N 3.01Å
1011G85.3Confident90.4Very high4 Ų440.8 Ų40.84%0.04122%0.215CC..G310 helixtrans-55-20.617800000115.4L1005 L1013 L1014 C1052L1005-G1011 PolarHBondContact O-N 2.96Å; L1005-G1011 VanDerWaalsContact O-N 3.13Å; G1011-L1013 PolarHBondContact O-N 3.02Å; G1011-L1013 VanDerWaalsContact O-N 3.15Å; G1011-L1014 PolarHBondContact O-N 2.85Å; G1011-C1052 CarbonylContact C-O 3.41Å; G1011-C1052 WeakPolarHBondContact CA-O 3.46Å; G1011-C1052 WeakPolarHBondContact CA-SG 3.24Å
1012H89.3Confident90.3Very high114 Ų11440.8 Ų40.853%0.52822%0.215SC..G310 helixtrans-57.7-23.6171.567.5-98.5000114Q1010 L1014 N1015Q1010-H1012 PolarHBondContact O-N 2.85Å; H1012-L1014 PolarHBondContact O-N 3.37Å; H1012-N1015 VanDerWaalsContact O-CB 3.28Å; H1012-N1015 WeakPolarHBondContact O-CB 3.23Å; H1012-N1015 PolarHBondContact O-N 3.4Å; H1012-N1015 VanDerWaalsContact O-N 3.15Å; H1012-N1015 PolarHBondContact O-ND2 2.85Å
1013L90.2Very high90.2Very high41 Ų4142.2 Ų42.222%0.21522%0.224CC..G310 helixtrans-62.3-20.5174-65.7176.4000113.3F966 I972 L1005 Q1010 G1011F966-L1013 HydrophobicContact CB-CD1 3.99Å; F966-L1013 HydrophobicContact CD1-CD1 4.13Å; F966-L1013 HydrophobicContact CG-CD1 4.2Å; I972-L1013 HydrophobicContact CD1-CD2 4.43Å; L1005-L1013 HydrophobicContact CD2-CD1 4.31Å; Q1010-L1013 HydrophobicContact CB-CD1 3.97Å; Q1010-L1013 HydrophobicContact CB-CG 4.36Å; Q1010-L1013 WeakPolarHBondContact O-CB 3.29Å; Q1010-L1013 VanDerWaalsContact O-CG 3.31Å; Q1010-L1013 WeakPolarHBondContact O-CG 3.23Å; Q1010-L1013 PolarHBondContact O-N 3.01Å; G1011-L1013 PolarHBondContact O-N 3.02Å; G1011-L1013 VanDerWaalsContact O-N 3.15Å
1014L92.4Very high90.2Very high0 Ų039.6 Ų39.60%021%0.214CC..G310 helixtrans-92.1-10177.3-60.3-176.1000113.6I976 L1001 C1002 L1005 G1011 H1012 S1016 Y1017 Y1049 I1053I976-L1014 HydrophobicContact CD1-CD2 3.71Å; I976-L1014 HydrophobicContact CG1-CD2 4.41Å; L1001-L1014 HydrophobicContact CD2-CD1 3.96Å; L1001-L1014 HydrophobicContact CD2-CD2 4.09Å; C1002-L1014 VanDerWaalsContact SG-CD1 3.58Å; L1005-L1014 HydrophobicContact CD1-CD1 3.88Å; L1005-L1014 HydrophobicContact CD1-CD2 4.03Å; L1005-L1014 HydrophobicContact CD1-CG 3.69Å; G1011-L1014 PolarHBondContact O-N 2.85Å; H1012-L1014 PolarHBondContact O-N 3.37Å; L1014-S1016 VanDerWaalsContact C-N 3.26Å; L1014-S1016 PolarHBondContact O-N 2.98Å; L1014-S1016 VanDerWaalsContact O-N 3.12Å; L1014-Y1017 PolarHBondContact O-N 3.41Å; L1014-Y1049 HydrophobicContact CB-CE2 4.06Å; L1014-Y1049 HydrophobicContact CD1-CD2 4.36Å; L1014-Y1049 HydrophobicContact CD1-CE2 3.93Å; L1014-Y1049 PolarHBondContact O-OH 3.48Å; L1014-I1053 HydrophobicContact CB-CG2 3.83Å
1015N91.6Very high90.2Very high35 Ų3538.6 Ų38.619%0.18721%0.21CC..G310 helixtrans-52.7-40.1-173.1-79.5-15.7000113.6H1012 Y1017 A1018 I1053 D1054 I1057H1012-N1015 VanDerWaalsContact O-CB 3.28Å; H1012-N1015 WeakPolarHBondContact O-CB 3.23Å; H1012-N1015 PolarHBondContact O-N 3.4Å; H1012-N1015 VanDerWaalsContact O-N 3.15Å; H1012-N1015 PolarHBondContact O-ND2 2.85Å; N1015-Y1017 PolarHBondContact O-N 3.33Å; N1015-A1018 WeakPolarHBondContact O-CB 3.37Å; N1015-A1018 PolarHBondContact O-N 3.32Å; N1015-I1053 WeakPolarHBondContact OD1-CB 3.46Å; N1015-D1054 PolarHBondContact OD1-N 3.39Å; N1015-I1057 HydrophobicContact CB-CD1 3.68Å
1016S91.8Very high90.1Very high96 Ų9638.7 Ų38.767%0.67121%0.211SC*.G310 helixtrans-68-13.7179.950.10000114.7L1014L1014-S1016 VanDerWaalsContact C-N 3.26Å; L1014-S1016 PolarHBondContact O-N 2.98Å; L1014-S1016 VanDerWaalsContact O-N 3.12Å
1017Y93.1Very high90Very high23 Ų2339 Ų399%0.0922%0.216CC..G310 helixtrans-106.68.4-177.1-52.5-83.1000112.9I972 N973 I976 L1014 N1015 E1019 I1020 I1021I972-Y1017 HydrophobicContact CG2-CE2 3.61Å; N973-Y1017 WeakPolarHBondContact CA-OH 3.37Å; N973-Y1017 HydrophobicContact CB-CE1 4.42Å; N973-Y1017 PolarHBondContact N-OH 2.83Å; I976-Y1017 HydrophobicContact CB-CD1 4Å; I976-Y1017 HydrophobicContact CB-CE1 4.19Å; I976-Y1017 HydrophobicContact CB-CG 4.26Å; I976-Y1017 HydrophobicContact CG1-CD1 4.36Å; I976-Y1017 HydrophobicContact CG1-CD2 4.18Å; I976-Y1017 HydrophobicContact CG1-CE1 4.47Å; I976-Y1017 HydrophobicContact CG1-CE2 4.3Å; I976-Y1017 HydrophobicContact CG1-CG 4.21Å; I976-Y1017 HydrophobicContact CG2-CD1 3.58Å; I976-Y1017 HydrophobicContact CG2-CE1 4.27Å; I976-Y1017 HydrophobicContact CG2-CG 3.73Å; L1014-Y1017 PolarHBondContact O-N 3.41Å; N1015-Y1017 PolarHBondContact O-N 3.33Å; Y1017-E1019 PolarHBondContact O-N 3.3Å; Y1017-I1020 HydrophobicContact CD1-CD1 4.31Å; Y1017-I1020 PolarHBondContact O-N 3.45Å; Y1017-I1021 PolarHBondContact O-N 3.47Å
1018A92.4Very high90Very high2 Ų239.5 Ų39.52%0.01721%0.208CC..Hα-helixtrans-57.3-45.3-172.400000114.3N1015 I1022 Y1049 I1053 I1057 V1061N1015-A1018 WeakPolarHBondContact O-CB 3.37Å; N1015-A1018 PolarHBondContact O-N 3.32Å; A1018-I1022 HydrophobicContact CB-CD1 4.43Å; A1018-I1022 VanDerWaalsContact O-CB 3.26Å; A1018-I1022 WeakPolarHBondContact O-CB 3.18Å; A1018-I1022 WeakPolarHBondContact O-CD1 3.33Å; A1018-I1022 WeakPolarHBondContact O-CG1 3.26Å; A1018-I1022 PolarHBondContact O-N 3.02Å; A1018-Y1049 VanDerWaalsContact CA-OH 3.31Å; A1018-Y1049 WeakPolarHBondContact CA-OH 3.23Å; A1018-Y1049 HydrophobicContact CB-CE1 4.34Å; A1018-Y1049 PolarHBondContact N-OH 3.49Å; A1018-I1053 HydrophobicContact CB-CD1 3.83Å; A1018-I1057 HydrophobicContact CB-CG2 3.7Å; A1018-V1061 HydrophobicContact CB-CG2 4.11Å
1019E92.4Very high89.9Confident75 Ų7536.5 Ų36.535%0.3519%0.193SC..Hα-helixtrans-64.3-45.4176.3178.2163.8170.300112.2Y1017 I1021 T1023 V1061 T1065 K1069Y1017-E1019 PolarHBondContact O-N 3.3Å; E1019-I1021 PolarHBondContact O-N 3.06Å; E1019-T1023 WeakPolarHBondContact O-CB 3.38Å; E1019-T1023 PolarHBondContact O-N 2.93Å; E1019-T1023 PolarHBondContact O-OG1 2.68Å; E1019-V1061 HydrophobicContact CB-CG1 3.97Å; E1019-T1065 WeakPolarHBondContact OE1-CB 3.38Å; E1019-T1065 PolarHBondContact OE1-OG1 2.99Å; E1019-T1065 WeakPolarHBondContact OE2-CB 3.2Å; E1019-T1065 VanDerWaalsContact OE2-CG2 3.32Å; E1019-T1065 WeakPolarHBondContact OE2-CG2 3.32Å; E1019-T1065 PolarHBondContact OE2-OG1 2.69Å; E1019-K1069 IonicContact OE1-NZ 2.69Å; E1019-K1069 PolarHBondContact OE1-NZ 3.48Å
1020I92.4Very high89.6Confident48 Ų4832.3 Ų32.325%0.24617%0.173CC..Hα-helixtrans-58.6-51.5-177.1-63.5165.3000110.2E980 Y1017 T1024E980-I1020 HydrophobicContact CB-CG2 4.32Å; E980-I1020 HydrophobicContact CG-CG2 3.75Å; E980-I1020 VanDerWaalsContact OE2-CG2 3.28Å; E980-I1020 WeakPolarHBondContact OE2-CG2 3.44Å; Y1017-I1020 HydrophobicContact CD1-CD1 4.31Å; Y1017-I1020 PolarHBondContact O-N 3.45Å; I1020-T1024 VanDerWaalsContact O-CB 3.25Å; I1020-T1024 WeakPolarHBondContact O-CB 3.35Å; I1020-T1024 PolarHBondContact O-N 2.87Å; I1020-T1024 VanDerWaalsContact O-N 3.1Å; I1020-T1024 PolarHBondContact O-OG1 3.25Å
1021I93.7Very high88.4Confident5 Ų533.8 Ų33.83%0.02618%0.18CC..Hα-helixtrans-74.4-45.9-174.2-64168.2000110.7I976 I998 Y1017 E1019 T1023 T1024 L1025 Y1049I976-I1021 HydrophobicContact CD1-CD1 4.31Å; I976-I1021 HydrophobicContact CG2-CD1 3.79Å; I976-I1021 HydrophobicContact CG2-CG1 4.17Å; I998-I1021 HydrophobicContact CD1-CD1 4.13Å; I998-I1021 HydrophobicContact CG1-CG2 4.25Å; Y1017-I1021 PolarHBondContact O-N 3.47Å; E1019-I1021 PolarHBondContact O-N 3.06Å; I1021-T1023 PolarHBondContact O-N 2.95Å; I1021-T1024 PolarHBondContact O-N 2.83Å; I1021-L1025 HydrophobicContact CG2-CD1 3.67Å; I1021-L1025 HydrophobicContact CG2-CG 4.23Å; I1021-L1025 VanDerWaalsContact O-CG 3.27Å; I1021-L1025 WeakPolarHBondContact O-CG 3.45Å; I1021-L1025 PolarHBondContact O-N 3.32Å; I1021-Y1049 HydrophobicContact CB-CD2 4.24Å; I1021-Y1049 HydrophobicContact CB-CE1 4.2Å; I1021-Y1049 HydrophobicContact CB-CE2 3.89Å; I1021-Y1049 HydrophobicContact CD1-CD2 4.12Å; I1021-Y1049 HydrophobicContact CD1-CE2 3.3Å; I1021-Y1049 HydrophobicContact CG1-CE2 4.18Å; I1021-Y1049 HydrophobicContact CG2-CD1 4.13Å; I1021-Y1049 HydrophobicContact CG2-CD2 3.52Å; I1021-Y1049 HydrophobicContact CG2-CE1 4.26Å; I1021-Y1049 HydrophobicContact CG2-CE2 3.69Å; I1021-Y1049 HydrophobicContact CG2-CG 3.77Å
1022I92.9Very high87.6Confident1 Ų137.2 Ų37.21%0.00520%0.197CC..Hα-helixtrans-67.3-39.8-179.5-58170000111.2A1018 T1024 L1025 L1026 L1046 Y1049 I1050 I1053 V1061 L1066A1018-I1022 HydrophobicContact CB-CD1 4.43Å; A1018-I1022 VanDerWaalsContact O-CB 3.26Å; A1018-I1022 WeakPolarHBondContact O-CB 3.18Å; A1018-I1022 WeakPolarHBondContact O-CD1 3.33Å; A1018-I1022 WeakPolarHBondContact O-CG1 3.26Å; A1018-I1022 PolarHBondContact O-N 3.02Å; I1022-T1024 VanDerWaalsContact C-N 3.29Å; I1022-T1024 PolarHBondContact O-N 2.97Å; I1022-L1025 PolarHBondContact O-N 2.98Å; I1022-L1026 HydrophobicContact CG2-CD1 3.89Å; I1022-L1026 HydrophobicContact CG2-CG 4.28Å; I1022-L1026 WeakPolarHBondContact O-CB 3.42Å; I1022-L1026 WeakPolarHBondContact O-CG 3.43Å; I1022-L1026 PolarHBondContact O-N 3.18Å; I1022-L1046 HydrophobicContact CB-CD1 4.44Å; I1022-L1046 HydrophobicContact CG1-CD1 4.33Å; I1022-L1046 HydrophobicContact CG2-CD1 3.72Å; I1022-Y1049 HydrophobicContact CD1-CD1 4.12Å; I1022-Y1049 HydrophobicContact CD1-CE1 4.04Å; I1022-Y1049 HydrophobicContact CG1-CD1 3.62Å; I1022-Y1049 HydrophobicContact CG1-CE1 3.73Å; I1022-I1050 HydrophobicContact CD1-CG1 4.35Å; I1022-I1053 HydrophobicContact CD1-CD1 4.19Å; I1022-V1061 HydrophobicContact CD1-CG1 4.4Å; I1022-L1066 HydrophobicContact CB-CD1 3.82Å; I1022-L1066 HydrophobicContact CG2-CD1 3.2Å
1023T91.1Very high86.2Confident32 Ų3236.5 Ų36.520%0.19621%0.205CC..Hα-helixtrans-57.1-46.3171.9-570000110.4E1019 I1021 S1027 L1066 F1070E1019-T1023 WeakPolarHBondContact O-CB 3.38Å; E1019-T1023 PolarHBondContact O-N 2.93Å; E1019-T1023 PolarHBondContact O-OG1 2.68Å; I1021-T1023 PolarHBondContact O-N 2.95Å; T1023-S1027 WeakPolarHBondContact O-CB 3.29Å; T1023-S1027 PolarHBondContact O-N 3.19Å; T1023-L1066 HydrophobicContact CG2-CD2 4.45Å; T1023-L1066 WeakPolarHBondContact OG1-CD2 3.24Å; T1023-F1070 HydrophobicContact CG2-CZ 4.45Å
1024T90.8Very high84.9Confident2 Ų238.5 Ų38.51%0.01222%0.222CC..Hα-helixtrans-65.6-41.9-176.6-63.10000111.7E980 I983 K984 I1020 I1021 I1022 S1027 R1028E980-T1024 HydrophobicContact CG-CG2 4.37Å; I983-T1024 HydrophobicContact CB-CG2 3.86Å; I983-T1024 HydrophobicContact CG2-CG2 3.63Å; K984-T1024 VanDerWaalsContact CE-OG1 3.24Å; K984-T1024 WeakPolarHBondContact CE-OG1 3.33Å; K984-T1024 HydrophobicContact CG-CG2 3.84Å; I1020-T1024 VanDerWaalsContact O-CB 3.25Å; I1020-T1024 WeakPolarHBondContact O-CB 3.35Å; I1020-T1024 PolarHBondContact O-N 2.87Å; I1020-T1024 VanDerWaalsContact O-N 3.1Å; I1020-T1024 PolarHBondContact O-OG1 3.25Å; I1021-T1024 PolarHBondContact O-N 2.83Å; I1022-T1024 VanDerWaalsContact C-N 3.29Å; I1022-T1024 PolarHBondContact O-N 2.97Å; T1024-S1027 WeakPolarHBondContact O-CB 3.47Å; T1024-S1027 PolarHBondContact O-N 3.48Å; T1024-S1027 PolarHBondContact O-OG 3.11Å; T1024-R1028 PolarHBondContact O-N 3.35Å
1025L92.3Very high84.1Confident0 Ų040.1 Ų40.10%023%0.232CC..Hα-helixtrans-69-44.1177.3-65.9172.6000112.4I983 L995 I1021 I1022 S1027 R1028 I1029 L1046I983-L1025 HydrophobicContact CD1-CD2 4.25Å; I983-L1025 HydrophobicContact CG2-CD2 4.49Å; L995-L1025 HydrophobicContact CD2-CD2 3.27Å; I1021-L1025 HydrophobicContact CG2-CD1 3.67Å; I1021-L1025 HydrophobicContact CG2-CG 4.23Å; I1021-L1025 VanDerWaalsContact O-CG 3.27Å; I1021-L1025 WeakPolarHBondContact O-CG 3.45Å; I1021-L1025 PolarHBondContact O-N 3.32Å; I1022-L1025 PolarHBondContact O-N 2.98Å; L1025-S1027 VanDerWaalsContact C-N 3.27Å; L1025-S1027 PolarHBondContact O-N 3.16Å; L1025-R1028 PolarHBondContact O-N 2.99Å; L1025-I1029 PolarHBondContact O-N 3.43Å; L1025-L1046 HydrophobicContact CB-CB 4.23Å; L1025-L1046 HydrophobicContact CB-CD1 4.46Å; L1025-L1046 HydrophobicContact CD1-CB 4.21Å; L1025-L1046 HydrophobicContact CD1-CD1 4.5Å
1026L89Confident83.6Confident3 Ų344.5 Ų44.52%0.01625%0.249CC..Hα-helixtrans-64.4-30.7173.6-73.9172.5000112.5I1022 R1028 I1029 L1046 L1066 F1070 R1076 T1079 I1080I1022-L1026 HydrophobicContact CG2-CD1 3.89Å; I1022-L1026 HydrophobicContact CG2-CG 4.28Å; I1022-L1026 WeakPolarHBondContact O-CB 3.42Å; I1022-L1026 WeakPolarHBondContact O-CG 3.43Å; I1022-L1026 PolarHBondContact O-N 3.18Å; L1026-R1028 VanDerWaalsContact C-N 3.26Å; L1026-R1028 PolarHBondContact O-N 3.42Å; L1026-I1029 HydrophobicContact CD2-CD1 4.46Å; L1026-I1029 PolarHBondContact O-N 3.45Å; L1026-I1029 VanDerWaalsContact O-N 3.14Å; L1026-L1046 HydrophobicContact CD2-CD2 3.69Å; L1026-L1046 HydrophobicContact CG-CD2 4.13Å; L1026-L1066 HydrophobicContact CD1-CB 4.26Å; L1026-L1066 HydrophobicContact CD1-CD1 3.9Å; L1026-L1066 HydrophobicContact CD1-CD2 4.32Å; L1026-L1066 HydrophobicContact CD1-CG 4.42Å; L1026-F1070 HydrophobicContact CB-CD2 4.05Å; L1026-F1070 HydrophobicContact CB-CE2 3.37Å; L1026-F1070 HydrophobicContact CB-CZ 3.8Å; L1026-F1070 HydrophobicContact CD1-CD2 3.86Å; L1026-F1070 HydrophobicContact CD1-CE2 3.68Å; L1026-F1070 HydrophobicContact CG-CE2 4.16Å; L1026-R1076 PolarHBondContact O-NE 2.96Å; L1026-T1079 HydrophobicContact CD2-CG2 3.55Å; L1026-I1080 HydrophobicContact CD1-CD1 4.34Å; L1026-I1080 HydrophobicContact CD1-CG1 4.18Å; L1026-I1080 HydrophobicContact CD2-CG1 4.42Å
1027S85.3Confident83.1Confident41 Ų4144.7 Ų44.729%0.28724%0.239SC..Hα-helixtrans-61.9-35.2175.783.10000112.2T1023 T1024 L1025 I1029 R1076T1023-S1027 WeakPolarHBondContact O-CB 3.29Å; T1023-S1027 PolarHBondContact O-N 3.19Å; T1024-S1027 WeakPolarHBondContact O-CB 3.47Å; T1024-S1027 PolarHBondContact O-N 3.48Å; T1024-S1027 PolarHBondContact O-OG 3.11Å; L1025-S1027 VanDerWaalsContact C-N 3.27Å; L1025-S1027 PolarHBondContact O-N 3.16Å; S1027-I1029 VanDerWaalsContact C-N 3.33Å; S1027-R1076 PolarHBondContact O-NH2 3.43Å
1028R86.2Confident82.8Confident53 Ų5344.3 Ų44.320%0.224%0.238CC..Hα-helixtrans-78.6-13.3177-67.7-51.4-161.1-165.85.6114.5I983 K984 C985 T1024 L1025 L1026 S1030 Q1039 S1042I983-R1028 HydrophobicContact CG2-CG 4.06Å; I983-R1028 VanDerWaalsContact O-CZ 3.25Å; I983-R1028 PolarHBondContact O-NE 2.95Å; I983-R1028 PolarHBondContact O-NH2 2.89Å; K984-R1028 PolarHBondContact O-NH2 2.83Å; C985-R1028 PolarHBondContact O-NH2 3.32Å; T1024-R1028 PolarHBondContact O-N 3.35Å; L1025-R1028 PolarHBondContact O-N 2.99Å; L1026-R1028 VanDerWaalsContact C-N 3.26Å; L1026-R1028 PolarHBondContact O-N 3.42Å; R1028-S1030 PolarHBondContact O-N 2.86Å; R1028-Q1039 WeakPolarHBondContact O-CG 3.47Å; R1028-S1042 WeakPolarHBondContact CB-OG 3.29Å
1029I84.9Confident82.5Confident0 Ų044.8 Ų44.80%024%0.24CC..  trans-85.9105.9168.6-65.5170.1000106.9L1025 L1026 S1027 Y1043 L1046 I1075 R1076 T1079L1025-I1029 PolarHBondContact O-N 3.43Å; L1026-I1029 HydrophobicContact CD2-CD1 4.46Å; L1026-I1029 PolarHBondContact O-N 3.45Å; L1026-I1029 VanDerWaalsContact O-N 3.14Å; S1027-I1029 VanDerWaalsContact C-N 3.33Å; I1029-Y1043 HydrophobicContact CD1-CD1 3.75Å; I1029-Y1043 HydrophobicContact CD1-CD2 3.98Å; I1029-Y1043 HydrophobicContact CD1-CE1 3.88Å; I1029-Y1043 HydrophobicContact CD1-CE2 4.08Å; I1029-Y1043 HydrophobicContact CD1-CG 3.79Å; I1029-Y1043 HydrophobicContact CG1-CD2 4.09Å; I1029-Y1043 HydrophobicContact CG1-CE2 4.03Å; I1029-Y1043 HydrophobicContact CG1-CG 4.39Å; I1029-Y1043 HydrophobicContact CG2-CE1 4.4Å; I1029-Y1043 HydrophobicContact CG2-CE2 3.82Å; I1029-Y1043 WeakPolarHBondContact CG2-OH 3.13Å; I1029-L1046 HydrophobicContact CD1-CD2 4.01Å; I1029-I1075 HydrophobicContact CG2-CG2 3.72Å; I1029-R1076 WeakPolarHBondContact O-CG 3.34Å; I1029-R1076 PolarHBondContact O-NE 2.94Å; I1029-T1079 HydrophobicContact CD1-CG2 3.84Å
1030S77.7Confident82.3Confident24 Ų2445 Ų4517%0.16824%0.244CC..  trans-129.1176.4-171.5690000111.3R1028 D1032 T1035 Q1039R1028-S1030 PolarHBondContact O-N 2.86Å; S1030-D1032 PolarHBondContact OG-N 3.2Å; S1030-T1035 PolarHBondContact OG-OG1 2.78Å; S1030-T1035 VanDerWaalsContact OG-OG1 3.05Å; S1030-Q1039 PolarHBondContact O-NE2 2.92Å; S1030-Q1039 PolarHBondContact OG-NE2 3.36Å
1031E61.4Low82.2Confident111 Ų11145 Ų4552%0.51924%0.242SC..SBendtrans-90.1-5.8172.8-76.6157.1-149.500112.7S1033 S1073 N1074 I1075E1031-S1033 PolarHBondContact O-N 3.04Å; E1031-S1073 VanDerWaalsContact OE1-CA 3.29Å; E1031-S1073 WeakPolarHBondContact OE1-CA 3.46Å; E1031-S1073 WeakPolarHBondContact OE1-CB 3.49Å; E1031-S1073 PolarHBondContact OE1-OG 3.02Å; E1031-N1074 PolarHBondContact OE1-N 3.26Å; E1031-I1075 HydrophobicContact CB-CD1 4.37Å; E1031-I1075 HydrophobicContact CG-CB 4.2Å; E1031-I1075 HydrophobicContact CG-CD1 3.58Å; E1031-I1075 HydrophobicContact CG-CG1 3.7Å; E1031-I1075 PolarHBondContact OE1-N 2.77Å
1032D69.8Low82.1Confident75 Ų7544.7 Ų44.740%0.40124%0.241SC..  trans-76.9107.7179.1173.723.5000112.7S1030 S1034 T1035 Q1039S1030-D1032 PolarHBondContact OG-N 3.2Å; D1032-S1034 PolarHBondContact O-N 3.22Å; D1032-S1034 VanDerWaalsContact O-N 3.07Å; D1032-S1034 VanDerWaalsContact OD1-CB 3.31Å; D1032-S1034 WeakPolarHBondContact OD1-CB 3.44Å; D1032-S1034 PolarHBondContact OD1-N 2.91Å; D1032-S1034 PolarHBondContact OD1-OG 3.4Å; D1032-S1034 WeakPolarHBondContact OD2-CB 3.24Å; D1032-S1034 PolarHBondContact OD2-OG 3.45Å; D1032-T1035 PolarHBondContact O-N 3.21Å; D1032-T1035 PolarHBondContact O-OG1 3.24Å; D1032-Q1039 PolarHBondContact O-NE2 2.94Å
1033S59.1Low81.9Confident100 Ų10046.8 Ų46.870%0.69925%0.249SC*.G310 helixtrans-53.2-24.8175.370.90000115.5E1031 T1035 K1036E1031-S1033 PolarHBondContact O-N 3.04Å; S1033-T1035 VanDerWaalsContact C-N 3.26Å; S1033-T1035 PolarHBondContact O-N 3.28Å; S1033-K1036 WeakPolarHBondContact O-CB 3.38Å; S1033-K1036 PolarHBondContact O-N 2.98Å
1034S63.3Low81.9Confident82 Ų8249.4 Ų49.457%0.57326%0.257SS*.G310 helixtrans-62.8-35.3177.396.20000111.8D1032 K1036D1032-S1034 PolarHBondContact O-N 3.22Å; D1032-S1034 VanDerWaalsContact O-N 3.07Å; D1032-S1034 VanDerWaalsContact OD1-CB 3.31Å; D1032-S1034 WeakPolarHBondContact OD1-CB 3.44Å; D1032-S1034 PolarHBondContact OD1-N 2.91Å; D1032-S1034 PolarHBondContact OD1-OG 3.4Å; D1032-S1034 WeakPolarHBondContact OD2-CB 3.24Å; D1032-S1034 PolarHBondContact OD2-OG 3.45Å; S1034-K1036 PolarHBondContact O-N 2.99Å
1035T74.6Confident82.1Confident34 Ų3449.3 Ų49.321%0.20926%0.257CS..G310 helixtrans-89.86.7-176.762.60000114S1030 D1032 S1033 F1037 L1038 Q1039S1030-T1035 PolarHBondContact OG-OG1 2.78Å; S1030-T1035 VanDerWaalsContact OG-OG1 3.05Å; D1032-T1035 PolarHBondContact O-N 3.21Å; D1032-T1035 PolarHBondContact O-OG1 3.24Å; S1033-T1035 VanDerWaalsContact C-N 3.26Å; S1033-T1035 PolarHBondContact O-N 3.28Å; T1035-F1037 CarbonylContact O-C 3.17Å; T1035-F1037 PolarHBondContact O-N 2.83Å; T1035-L1038 WeakPolarHBondContact O-CA 3.26Å; T1035-L1038 WeakPolarHBondContact O-CB 3.41Å; T1035-L1038 PolarHBondContact O-N 3Å; T1035-Q1039 PolarHBondContact O-N 2.83Å; T1035-Q1039 PolarHBondContact OG1-NE2 3.31Å; T1035-Q1039 VanDerWaalsContact OG1-NE2 3.07Å
1036K80.7Confident82.2Confident127 Ų12749.4 Ų49.455%0.55226%0.257SS*.Hα-helixtrans-55.5-24.3-169.8-171.1159.5-172.9158.70116S1033 S1034 N1040S1033-K1036 WeakPolarHBondContact O-CB 3.38Å; S1033-K1036 PolarHBondContact O-N 2.98Å; S1034-K1036 PolarHBondContact O-N 2.99Å; K1036-N1040 PolarHBondContact O-N 3.26Å; K1036-N1040 VanDerWaalsContact O-N 3.16Å; K1036-N1040 PolarHBondContact O-OD1 3.49Å
1037F83Confident82.3Confident101 Ų10153 Ų5344%0.44327%0.274SS..Hα-helixtrans-75.1-43.4170.971-80000112.4T1035 Q1039 N1040 E1041T1035-F1037 CarbonylContact O-C 3.17Å; T1035-F1037 PolarHBondContact O-N 2.83Å; F1037-Q1039 VanDerWaalsContact C-N 3.31Å; F1037-Q1039 PolarHBondContact O-N 3.37Å; F1037-N1040 PolarHBondContact O-N 3.49Å; F1037-E1041 WeakPolarHBondContact O-CG 3.42Å; F1037-E1041 PolarHBondContact O-N 3.37Å
1038L85.3Confident82.6Confident14 Ų1451.2 Ų51.27%0.07326%0.262CS..Hα-helixtrans-63.3-37.6172.7-63.7178.2000111.4C991 L992 L995 T1035 E1041 S1042C991-L1038 HydrophobicContact CB-CD1 4.49Å; C991-L1038 HydrophobicContact CB-CD2 4.27Å; L992-L1038 HydrophobicContact CB-CD2 4.29Å; L995-L1038 HydrophobicContact CD1-CD2 4.44Å; T1035-L1038 WeakPolarHBondContact O-CA 3.26Å; T1035-L1038 WeakPolarHBondContact O-CB 3.41Å; T1035-L1038 PolarHBondContact O-N 3Å; L1038-E1041 PolarHBondContact O-N 3.26Å; L1038-S1042 VanDerWaalsContact O-CB 3.26Å; L1038-S1042 WeakPolarHBondContact O-CB 3.35Å; L1038-S1042 PolarHBondContact O-N 3.07Å; L1038-S1042 PolarHBondContact O-OG 3.18Å
1039Q87.1Confident83Confident13 Ų1348.7 Ų48.76%0.06125%0.252CS..Hα-helixtrans-56.9-55172-64.4169.8-1.300110.2R1028 S1030 D1032 T1035 F1037 E1041 S1042 Y1043R1028-Q1039 WeakPolarHBondContact O-CG 3.47Å; S1030-Q1039 PolarHBondContact O-NE2 2.92Å; S1030-Q1039 PolarHBondContact OG-NE2 3.36Å; D1032-Q1039 PolarHBondContact O-NE2 2.94Å; T1035-Q1039 PolarHBondContact O-N 2.83Å; T1035-Q1039 PolarHBondContact OG1-NE2 3.31Å; T1035-Q1039 VanDerWaalsContact OG1-NE2 3.07Å; F1037-Q1039 VanDerWaalsContact C-N 3.31Å; F1037-Q1039 PolarHBondContact O-N 3.37Å; Q1039-E1041 VanDerWaalsContact C-N 3.33Å; Q1039-E1041 PolarHBondContact O-N 3.12Å; Q1039-S1042 CarbonylContact O-C 3.51Å; Q1039-S1042 WeakPolarHBondContact O-CA 3.32Å; Q1039-S1042 WeakPolarHBondContact O-CB 3.44Å; Q1039-S1042 PolarHBondContact O-N 3.27Å; Q1039-Y1043 WeakPolarHBondContact O-CD2 3.47Å; Q1039-Y1043 PolarHBondContact O-N 3.12Å
1040N87.5Confident83.4Confident80 Ų8048.7 Ų48.743%0.42825%0.252SS..Hα-helixtrans-58.1-39180-74.3-4000113.5K1036 F1037 K1044K1036-N1040 PolarHBondContact O-N 3.26Å; K1036-N1040 VanDerWaalsContact O-N 3.16Å; K1036-N1040 PolarHBondContact O-OD1 3.49Å; F1037-N1040 PolarHBondContact O-N 3.49Å; N1040-K1044 PolarHBondContact O-N 2.91Å
1041E89.6Confident83.9Confident46 Ų4648.4 Ų48.422%0.21525%0.25CS..Hα-helixtrans-72.7-37.4173.9-58.5-48.6130.200111.5L992 L995 F1037 L1038 Q1039 Y1043 K1044 S1045L992-E1041 HydrophobicContact CD1-CB 4.34Å; L992-E1041 HydrophobicContact CD1-CG 3.79Å; L995-E1041 HydrophobicContact CD1-CB 4.11Å; F1037-E1041 WeakPolarHBondContact O-CG 3.42Å; F1037-E1041 PolarHBondContact O-N 3.37Å; L1038-E1041 PolarHBondContact O-N 3.26Å; Q1039-E1041 VanDerWaalsContact C-N 3.33Å; Q1039-E1041 PolarHBondContact O-N 3.12Å; E1041-Y1043 VanDerWaalsContact C-N 3.33Å; E1041-Y1043 PolarHBondContact O-N 2.9Å; E1041-K1044 WeakPolarHBondContact O-CB 3.26Å; E1041-K1044 PolarHBondContact O-N 2.72Å; E1041-K1044 IonicContact OE1-NZ 2.83Å; E1041-K1044 PolarHBondContact OE1-NZ 2.69Å; E1041-K1044 WeakPolarHBondContact OE2-CE 3.46Å; E1041-K1044 IonicContact OE2-NZ 3.77Å; E1041-K1044 PolarHBondContact OE2-NZ 3.07Å; E1041-S1045 PolarHBondContact O-N 2.87Å; E1041-S1045 PolarHBondContact O-OG 3Å
1042S92Very high85.3Confident0 Ų043.6 Ų43.60%023%0.229CC..Hα-helixtrans-63.3-36.6175.7-55.90000112.5L995 R1028 L1038 Q1039 L1046L995-S1042 WeakPolarHBondContact CD1-OG 3.36Å; R1028-S1042 WeakPolarHBondContact CB-OG 3.29Å; L1038-S1042 VanDerWaalsContact O-CB 3.26Å; L1038-S1042 WeakPolarHBondContact O-CB 3.35Å; L1038-S1042 PolarHBondContact O-N 3.07Å; L1038-S1042 PolarHBondContact O-OG 3.18Å; Q1039-S1042 CarbonylContact O-C 3.51Å; Q1039-S1042 WeakPolarHBondContact O-CA 3.32Å; Q1039-S1042 WeakPolarHBondContact O-CB 3.44Å; Q1039-S1042 PolarHBondContact O-N 3.27Å; S1042-L1046 WeakPolarHBondContact O-CB 3.37Å; S1042-L1046 PolarHBondContact O-N 2.79Å
1043Y90.3Very high86.4Confident45 Ų4540.4 Ų40.418%0.17621%0.211CC..Hα-helixtrans-58.9-43.5169.7-84.6-76.2000111.8I1029 Q1039 E1041 L1046 E1047 I1075 T1079 M1083I1029-Y1043 HydrophobicContact CD1-CD1 3.75Å; I1029-Y1043 HydrophobicContact CD1-CD2 3.98Å; I1029-Y1043 HydrophobicContact CD1-CE1 3.88Å; I1029-Y1043 HydrophobicContact CD1-CE2 4.08Å; I1029-Y1043 HydrophobicContact CD1-CG 3.79Å; I1029-Y1043 HydrophobicContact CG1-CD2 4.09Å; I1029-Y1043 HydrophobicContact CG1-CE2 4.03Å; I1029-Y1043 HydrophobicContact CG1-CG 4.39Å; I1029-Y1043 HydrophobicContact CG2-CE1 4.4Å; I1029-Y1043 HydrophobicContact CG2-CE2 3.82Å; I1029-Y1043 WeakPolarHBondContact CG2-OH 3.13Å; Q1039-Y1043 WeakPolarHBondContact O-CD2 3.47Å; Q1039-Y1043 PolarHBondContact O-N 3.12Å; E1041-Y1043 VanDerWaalsContact C-N 3.33Å; E1041-Y1043 PolarHBondContact O-N 2.9Å; Y1043-L1046 PolarHBondContact O-N 3.45Å; Y1043-E1047 PolarHBondContact O-N 3.35Å; Y1043-I1075 VanDerWaalsContact OH-CG2 3.29Å; Y1043-I1075 WeakPolarHBondContact OH-CG2 3.27Å; Y1043-T1079 HydrophobicContact CD1-CG2 4.05Å; Y1043-T1079 HydrophobicContact CE1-CG2 3.54Å; Y1043-T1079 WeakPolarHBondContact CE1-OG1 3.25Å; Y1043-T1079 PolarHBondContact OH-OG1 3.33Å; Y1043-M1083 HydrophobicContact CD1-CE 4.34Å
1044K91.1Very high87.9Confident86 Ų8637.6 Ų37.637%0.37419%0.189SC..Hα-helixtrans-69.7-44.2177.8-65.8-179.5-136.6160.70112.4N1040 E1041 L1046 E1047 A1048N1040-K1044 PolarHBondContact O-N 2.91Å; E1041-K1044 WeakPolarHBondContact O-CB 3.26Å; E1041-K1044 PolarHBondContact O-N 2.72Å; E1041-K1044 IonicContact OE1-NZ 2.83Å; E1041-K1044 PolarHBondContact OE1-NZ 2.69Å; E1041-K1044 WeakPolarHBondContact OE2-CE 3.46Å; E1041-K1044 IonicContact OE2-NZ 3.77Å; E1041-K1044 PolarHBondContact OE2-NZ 3.07Å; K1044-L1046 PolarHBondContact O-N 2.99Å; K1044-E1047 PolarHBondContact O-N 2.86Å; K1044-A1048 VanDerWaalsContact O-CB 3.23Å; K1044-A1048 WeakPolarHBondContact O-CB 3.44Å; K1044-A1048 PolarHBondContact O-N 2.92Å
1045S93.6Very high89.1Confident0 Ų034.9 Ų34.90%017%0.167CC..Hα-helixtrans-61.4-34.4175.1-57.60000111L995 E1041 Y1049L995-S1045 PolarHBondContact O-OG 2.91Å; E1041-S1045 PolarHBondContact O-N 2.87Å; E1041-S1045 PolarHBondContact O-OG 3Å; S1045-Y1049 WeakPolarHBondContact O-CB 3.21Å; S1045-Y1049 PolarHBondContact O-N 3.47Å
1046L93.7Very high89.9Confident2 Ų234.4 Ų34.41%0.0116%0.164CC..Hα-helixtrans-69.9-45.4176177.356.3000112.2I1022 L1025 L1026 I1029 S1042 Y1043 K1044 Y1049 I1050 T1079 M1083I1022-L1046 HydrophobicContact CB-CD1 4.44Å; I1022-L1046 HydrophobicContact CG1-CD1 4.33Å; I1022-L1046 HydrophobicContact CG2-CD1 3.72Å; L1025-L1046 HydrophobicContact CB-CB 4.23Å; L1025-L1046 HydrophobicContact CB-CD1 4.46Å; L1025-L1046 HydrophobicContact CD1-CB 4.21Å; L1025-L1046 HydrophobicContact CD1-CD1 4.5Å; L1026-L1046 HydrophobicContact CD2-CD2 3.69Å; L1026-L1046 HydrophobicContact CG-CD2 4.13Å; I1029-L1046 HydrophobicContact CD1-CD2 4.01Å; S1042-L1046 WeakPolarHBondContact O-CB 3.37Å; S1042-L1046 PolarHBondContact O-N 2.79Å; Y1043-L1046 PolarHBondContact O-N 3.45Å; K1044-L1046 PolarHBondContact O-N 2.99Å; L1046-Y1049 PolarHBondContact O-N 3.08Å; L1046-I1050 HydrophobicContact CD1-CD1 3.61Å; L1046-I1050 HydrophobicContact CD1-CG1 4.14Å; L1046-I1050 HydrophobicContact CG-CD1 4.08Å; L1046-I1050 WeakPolarHBondContact O-CB 3.29Å; L1046-I1050 WeakPolarHBondContact O-CG1 3.12Å; L1046-I1050 PolarHBondContact O-N 3.03Å; L1046-T1079 HydrophobicContact CD2-CG2 3.82Å; L1046-M1083 HydrophobicContact CB-CE 4.37Å; L1046-M1083 HydrophobicContact CD2-CE 3.99Å; L1046-M1083 HydrophobicContact CD2-CG 4.02Å; L1046-M1083 HydrophobicContact CD2-SD 4.42Å; L1046-M1083 HydrophobicContact CG-CE 3.92Å; L1046-M1083 HydrophobicContact CG-CG 4.2Å; L1046-M1083 HydrophobicContact CG-SD 4.09Å
1047E91.6Very high90.4Very high80 Ų8031 Ų3137%0.37415%0.151SC..Hα-helixtrans-62.5-45.6173.6-167.2-176153.700111.6Y1043 K1044 Y1049 I1050 S1051 M1083 Y1086Y1043-E1047 PolarHBondContact O-N 3.35Å; K1044-E1047 PolarHBondContact O-N 2.86Å; E1047-Y1049 PolarHBondContact O-N 2.92Å; E1047-I1050 PolarHBondContact O-N 3.34Å; E1047-S1051 WeakPolarHBondContact O-CB 3.12Å; E1047-S1051 PolarHBondContact O-N 2.91Å; E1047-S1051 PolarHBondContact O-OG 3.3Å; E1047-S1051 VanDerWaalsContact O-OG 3.08Å; E1047-M1083 HydrophobicContact CB-CE 4.34Å; E1047-Y1086 HydrophobicContact CG-CD1 4.49Å; E1047-Y1086 HydrophobicContact CG-CD2 4.29Å; E1047-Y1086 HydrophobicContact CG-CE1 3.84Å; E1047-Y1086 HydrophobicContact CG-CE2 3.63Å; E1047-Y1086 WeakPolarHBondContact CG-OH 3.33Å; E1047-Y1086 WeakPolarHBondContact OE1-CE2 3.27Å; E1047-Y1086 PolarHBondContact OE1-OH 3.49Å
1048A92.4Very high90.9Very high2 Ų226.2 Ų26.22%0.01713%0.13CC..Hα-helixtrans-60.1-42.617500000112.5Q999 Y1003 K1044 S1051 C1052Q999-A1048 HydrophobicContact CG-CB 3.99Å; Y1003-A1048 HydrophobicContact CD1-CB 4.04Å; Y1003-A1048 HydrophobicContact CE1-CB 3.42Å; Y1003-A1048 VanDerWaalsContact CE1-CB 3.42Å; K1044-A1048 VanDerWaalsContact O-CB 3.23Å; K1044-A1048 WeakPolarHBondContact O-CB 3.44Å; K1044-A1048 PolarHBondContact O-N 2.92Å; A1048-S1051 WeakPolarHBondContact CA-OG 3.43Å; A1048-S1051 PolarHBondContact O-OG 3.12Å; A1048-C1052 WeakPolarHBondContact O-CB 3.44Å; A1048-C1052 PolarHBondContact O-N 3.34Å
1049Y94.8Very high91.2Very high0 Ų025.6 Ų25.60%013%0.127CC..Hα-helixtrans-66.5-48.4177.5-172.1-94.8000112.2I998 C1002 L1014 A1018 I1021 I1022 S1045 L1046 E1047 S1051 C1052 I1053I998-Y1049 HydrophobicContact CD1-CD2 4.31Å; I998-Y1049 HydrophobicContact CG1-CD2 4.27Å; C1002-Y1049 VanDerWaalsContact SG-CD2 3.55Å; L1014-Y1049 HydrophobicContact CB-CE2 4.06Å; L1014-Y1049 HydrophobicContact CD1-CD2 4.36Å; L1014-Y1049 HydrophobicContact CD1-CE2 3.93Å; L1014-Y1049 PolarHBondContact O-OH 3.48Å; A1018-Y1049 VanDerWaalsContact CA-OH 3.31Å; A1018-Y1049 WeakPolarHBondContact CA-OH 3.23Å; A1018-Y1049 HydrophobicContact CB-CE1 4.34Å; A1018-Y1049 PolarHBondContact N-OH 3.49Å; I1021-Y1049 HydrophobicContact CB-CD2 4.24Å; I1021-Y1049 HydrophobicContact CB-CE1 4.2Å; I1021-Y1049 HydrophobicContact CB-CE2 3.89Å; I1021-Y1049 HydrophobicContact CD1-CD2 4.12Å; I1021-Y1049 HydrophobicContact CD1-CE2 3.3Å; I1021-Y1049 HydrophobicContact CG1-CE2 4.18Å; I1021-Y1049 HydrophobicContact CG2-CD1 4.13Å; I1021-Y1049 HydrophobicContact CG2-CD2 3.52Å; I1021-Y1049 HydrophobicContact CG2-CE1 4.26Å; I1021-Y1049 HydrophobicContact CG2-CE2 3.69Å; I1021-Y1049 HydrophobicContact CG2-CG 3.77Å; I1022-Y1049 HydrophobicContact CD1-CD1 4.12Å; I1022-Y1049 HydrophobicContact CD1-CE1 4.04Å; I1022-Y1049 HydrophobicContact CG1-CD1 3.62Å; I1022-Y1049 HydrophobicContact CG1-CE1 3.73Å; S1045-Y1049 WeakPolarHBondContact O-CB 3.21Å; S1045-Y1049 PolarHBondContact O-N 3.47Å; L1046-Y1049 PolarHBondContact O-N 3.08Å; E1047-Y1049 PolarHBondContact O-N 2.92Å; Y1049-S1051 VanDerWaalsContact C-N 3.27Å; Y1049-S1051 PolarHBondContact O-N 3.3Å; Y1049-C1052 WeakPolarHBondContact O-CB 3.21Å; Y1049-C1052 PolarHBondContact O-N 2.83Å; Y1049-I1053 HydrophobicContact CD1-CD1 4.29Å; Y1049-I1053 HydrophobicContact CD1-CG1 4.44Å; Y1049-I1053 HydrophobicContact CE1-CD1 3.75Å; Y1049-I1053 HydrophobicContact CE1-CG1 4.16Å; Y1049-I1053 HydrophobicContact CE1-CG2 3.85Å; Y1049-I1053 HydrophobicContact CE2-CG2 4.21Å; Y1049-I1053 PolarHBondContact O-N 3.34Å
1050I92.6Very high91.4Very high0 Ų029.2 Ų29.20%014%0.144CC..Hα-helixtrans-62.6-33.5178.4-73.7172.6000111.6I1022 L1046 E1047 C1052 A1058 I1062 M1083 Y1086 I1087I1022-I1050 HydrophobicContact CD1-CG1 4.35Å; L1046-I1050 HydrophobicContact CD1-CD1 3.61Å; L1046-I1050 HydrophobicContact CD1-CG1 4.14Å; L1046-I1050 HydrophobicContact CG-CD1 4.08Å; L1046-I1050 WeakPolarHBondContact O-CB 3.29Å; L1046-I1050 WeakPolarHBondContact O-CG1 3.12Å; L1046-I1050 PolarHBondContact O-N 3.03Å; E1047-I1050 PolarHBondContact O-N 3.34Å; I1050-C1052 VanDerWaalsContact C-N 3.26Å; I1050-C1052 PolarHBondContact O-N 2.88Å; I1050-A1058 HydrophobicContact CG2-CB 4.37Å; I1050-I1062 HydrophobicContact CD1-CD1 3.99Å; I1050-M1083 HydrophobicContact CD1-CB 3.94Å; I1050-M1083 HydrophobicContact CD1-CG 3.97Å; I1050-M1083 HydrophobicContact CD1-SD 3.89Å; I1050-Y1086 HydrophobicContact CG2-CD1 4.19Å; I1050-Y1086 HydrophobicContact CG2-CE1 4.28Å; I1050-I1087 HydrophobicContact CG2-CD1 3.7Å; I1050-I1087 HydrophobicContact CG2-CG1 3.54Å
1051S87.8Confident91.5Very high18 Ų1826 Ų2613%0.12613%0.127CC..THydrogen-bonded Turntrans-75.1-7.9173.966.30000115.3N1006 E1047 A1048 Y1049N1006-S1051 PolarHBondContact ND2-O 2.92Å; E1047-S1051 WeakPolarHBondContact O-CB 3.12Å; E1047-S1051 PolarHBondContact O-N 2.91Å; E1047-S1051 PolarHBondContact O-OG 3.3Å; E1047-S1051 VanDerWaalsContact O-OG 3.08Å; A1048-S1051 WeakPolarHBondContact CA-OG 3.43Å; A1048-S1051 PolarHBondContact O-OG 3.12Å; Y1049-S1051 VanDerWaalsContact C-N 3.27Å; Y1049-S1051 PolarHBondContact O-N 3.3Å
1052C91.5Very high91.6Very high11 Ų1124 Ų247%0.07412%0.118CC..THydrogen-bonded Turntrans-100.4-38.6-179.1-1690000112.5C1002 G1011 A1048 Y1049 I1050C1002-C1052 HydrophobicContact CB-CB 3.89Å; C1002-C1052 PolarHBondContact O-SG 2.7Å; G1011-C1052 CarbonylContact C-O 3.41Å; G1011-C1052 WeakPolarHBondContact CA-O 3.46Å; G1011-C1052 WeakPolarHBondContact CA-SG 3.24Å; A1048-C1052 WeakPolarHBondContact O-CB 3.44Å; A1048-C1052 PolarHBondContact O-N 3.34Å; Y1049-C1052 WeakPolarHBondContact O-CB 3.21Å; Y1049-C1052 PolarHBondContact O-N 2.83Å; I1050-C1052 VanDerWaalsContact C-N 3.26Å; I1050-C1052 PolarHBondContact O-N 2.88Å
1053I92.6Very high91.5Very high7 Ų724.1 Ų24.14%0.03612%0.119CC..SBendtrans-85.4170.6-179.762.3158.9000113.4L1014 N1015 A1018 I1022 Y1049 H1055 A1058L1014-I1053 HydrophobicContact CB-CG2 3.83Å; N1015-I1053 WeakPolarHBondContact OD1-CB 3.46Å; A1018-I1053 HydrophobicContact CB-CD1 3.83Å; I1022-I1053 HydrophobicContact CD1-CD1 4.19Å; Y1049-I1053 HydrophobicContact CD1-CD1 4.29Å; Y1049-I1053 HydrophobicContact CD1-CG1 4.44Å; Y1049-I1053 HydrophobicContact CE1-CD1 3.75Å; Y1049-I1053 HydrophobicContact CE1-CG1 4.16Å; Y1049-I1053 HydrophobicContact CE1-CG2 3.85Å; Y1049-I1053 HydrophobicContact CE2-CG2 4.21Å; Y1049-I1053 PolarHBondContact O-N 3.34Å; I1053-H1055 PolarHBondContact O-N 3.29Å; I1053-A1058 HydrophobicContact CD1-CB 3.79Å; I1053-A1058 HydrophobicContact CG1-CB 4.28Å
1054D90.1Very high91.3Very high42 Ų4223.7 Ų23.723%0.22512%0.121CC..  trans-64.4125172-164.1-33.2000111.4N1015 V1056 I1057 A1058 R1104N1015-D1054 PolarHBondContact OD1-N 3.39Å; D1054-V1056 PolarHBondContact O-N 3.09Å; D1054-V1056 VanDerWaalsContact O-N 3.13Å; D1054-V1056 WeakPolarHBondContact OD1-CB 3.24Å; D1054-V1056 PolarHBondContact OD1-N 3.16Å; D1054-I1057 HydrophobicContact CB-CB 4.48Å; D1054-I1057 HydrophobicContact CB-CD1 4.12Å; D1054-I1057 HydrophobicContact CB-CG1 4.2Å; D1054-I1057 PolarHBondContact O-N 2.82Å; D1054-A1058 PolarHBondContact O-N 3.08Å; D1054-R1104 IonicContact OD1-CZ 2.7Å; D1054-R1104 IonicContact OD1-NH1 2.71Å; D1054-R1104 PolarHBondContact OD1-NH1 3.05Å; D1054-R1104 IonicContact OD1-NH2 3.11Å; D1054-R1104 IonicContact OD2-CZ 3.12Å; D1054-R1104 IonicContact OD2-NH1 3.8Å; D1054-R1104 PolarHBondContact OD2-NH1 2.99Å; D1054-R1104 VanDerWaalsContact OD2-NH1 3.12Å; D1054-R1104 IonicContact OD2-NH2 2.82Å; D1054-R1104 PolarHBondContact OD2-NH2 2.84Å
1055H89.9Confident90.8Very high24 Ų2421.7 Ų21.711%0.11112%0.116CC..Hα-helixtrans-56.9-28.8179.3-64.2-159.1000112.6I1053 I1059 I1087 Q1091 L1101I1053-H1055 PolarHBondContact O-N 3.29Å; H1055-I1059 WeakPolarHBondContact O-CG1 3.29Å; H1055-I1059 PolarHBondContact O-N 3.28Å; H1055-I1087 HydrophobicContact CB-CG2 3.81Å; H1055-Q1091 PolarHBondContact CE1-OE1 2.95Å; H1055-L1101 HydrophobicContact CB-CD1 3.88Å
1056V90.7Very high90.4Very high25 Ų2521.7 Ų21.715%0.15212%0.116CC..Hα-helixtrans-63.6-44.4174.7172.90000110.8D1054 H1060 L1101 R1104 L1105D1054-V1056 PolarHBondContact O-N 3.09Å; D1054-V1056 VanDerWaalsContact O-N 3.13Å; D1054-V1056 WeakPolarHBondContact OD1-CB 3.24Å; D1054-V1056 PolarHBondContact OD1-N 3.16Å; V1056-H1060 VanDerWaalsContact O-CB 3.29Å; V1056-H1060 WeakPolarHBondContact O-CB 3.23Å; V1056-H1060 PolarHBondContact O-N 3.41Å; V1056-L1101 HydrophobicContact CG2-CD1 3.75Å; V1056-R1104 HydrophobicContact CG2-CB 3.54Å; V1056-L1105 HydrophobicContact CG1-CD2 4.24Å
1057I91.5Very high90Very high55 Ų5521.7 Ų21.728%0.28212%0.115SC..Hα-helixtrans-72.2-41.1179.7-61.5175.7000109.6N1015 A1018 D1054 H1060 V1061N1015-I1057 HydrophobicContact CB-CD1 3.68Å; A1018-I1057 HydrophobicContact CB-CG2 3.7Å; D1054-I1057 HydrophobicContact CB-CB 4.48Å; D1054-I1057 HydrophobicContact CB-CD1 4.12Å; D1054-I1057 HydrophobicContact CB-CG1 4.2Å; D1054-I1057 PolarHBondContact O-N 2.82Å; I1057-H1060 PolarHBondContact O-N 3.03Å; I1057-V1061 HydrophobicContact CG2-CG2 4.22Å; I1057-V1061 WeakPolarHBondContact O-CB 3.47Å; I1057-V1061 VanDerWaalsContact O-CG2 3.32Å; I1057-V1061 WeakPolarHBondContact O-CG2 3.44Å; I1057-V1061 PolarHBondContact O-N 3.42Å
1058A92.1Very high89.5Confident0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-56.1-52.317400000111.9I1050 I1053 D1054 I1062 I1087I1050-A1058 HydrophobicContact CG2-CB 4.37Å; I1053-A1058 HydrophobicContact CD1-CB 3.79Å; I1053-A1058 HydrophobicContact CG1-CB 4.28Å; D1054-A1058 PolarHBondContact O-N 3.08Å; A1058-I1062 VanDerWaalsContact O-CB 3.31Å; A1058-I1062 WeakPolarHBondContact O-CB 3.4Å; A1058-I1062 WeakPolarHBondContact O-CD1 3.28Å; A1058-I1062 WeakPolarHBondContact O-CG1 3.45Å; A1058-I1062 PolarHBondContact O-N 2.82Å; A1058-I1087 HydrophobicContact CB-CD1 3.87Å
1059I91.7Very high89Confident1 Ų126 Ų261%0.00514%0.136CC..Hα-helixtrans-63-43.8177-70.3172.8000111.2H1055 I1062 C1063 L1084 I1087 I1088 L1101 L1105 L1113H1055-I1059 WeakPolarHBondContact O-CG1 3.29Å; H1055-I1059 PolarHBondContact O-N 3.28Å; I1059-I1062 PolarHBondContact O-N 3.33Å; I1059-C1063 WeakPolarHBondContact O-CB 3.33Å; I1059-C1063 PolarHBondContact O-N 3.4Å; I1059-C1063 PolarHBondContact O-SG 3.38Å; I1059-C1063 VanDerWaalsContact O-SG 3.38Å; I1059-L1084 HydrophobicContact CG1-CD2 4.08Å; I1059-L1084 HydrophobicContact CG2-CD2 4.44Å; I1059-I1087 HydrophobicContact CD1-CG2 3.74Å; I1059-I1087 HydrophobicContact CG1-CD1 3.97Å; I1059-I1087 HydrophobicContact CG1-CG2 4.02Å; I1059-I1088 HydrophobicContact CD1-CD1 4.09Å; I1059-I1088 HydrophobicContact CD1-CG1 3.98Å; I1059-L1101 HydrophobicContact CD1-CD1 4.28Å; I1059-L1101 HydrophobicContact CD1-CD2 3.63Å; I1059-L1101 HydrophobicContact CD1-CG 4.28Å; I1059-L1105 HydrophobicContact CB-CD2 3.88Å; I1059-L1105 HydrophobicContact CD1-CD1 4.29Å; I1059-L1105 HydrophobicContact CD1-CD2 4.4Å; I1059-L1105 HydrophobicContact CG2-CD1 4.07Å; I1059-L1105 HydrophobicContact CG2-CD2 3.68Å; I1059-L1113 HydrophobicContact CG2-CB 4.47Å; I1059-L1113 HydrophobicContact CG2-CD1 4.29Å; I1059-L1113 HydrophobicContact CG2-CD2 4.46Å
1060H91.5Very high88.3Confident90 Ų9026.9 Ų26.942%0.41714%0.14SC..Hα-helixtrans-57.5-54.4-179.7-17692.1000111V1056 I1057 I1062 C1063 T1064V1056-H1060 VanDerWaalsContact O-CB 3.29Å; V1056-H1060 WeakPolarHBondContact O-CB 3.23Å; V1056-H1060 PolarHBondContact O-N 3.41Å; I1057-H1060 PolarHBondContact O-N 3.03Å; H1060-I1062 VanDerWaalsContact C-N 3.34Å; H1060-I1062 PolarHBondContact O-N 2.89Å; H1060-C1063 PolarHBondContact O-N 2.87Å; H1060-T1064 WeakPolarHBondContact O-CB 3.5Å; H1060-T1064 PolarHBondContact O-N 2.93Å; H1060-T1064 PolarHBondContact O-OG1 2.84Å
1061V91.2Very high87.5Confident13 Ų1329.7 Ų29.78%0.07916%0.155CC..Hα-helixtrans-61.3-40.3179.6170.80000111.7A1018 E1019 I1022 I1057 T1065 L1066A1018-V1061 HydrophobicContact CB-CG2 4.11Å; E1019-V1061 HydrophobicContact CB-CG1 3.97Å; I1022-V1061 HydrophobicContact CD1-CG1 4.4Å; I1057-V1061 HydrophobicContact CG2-CG2 4.22Å; I1057-V1061 WeakPolarHBondContact O-CB 3.47Å; I1057-V1061 VanDerWaalsContact O-CG2 3.32Å; I1057-V1061 WeakPolarHBondContact O-CG2 3.44Å; I1057-V1061 PolarHBondContact O-N 3.42Å; V1061-T1065 PolarHBondContact O-N 3.49Å; V1061-L1066 HydrophobicContact CG1-CD1 3.66Å; V1061-L1066 HydrophobicContact CG1-CG 4Å; V1061-L1066 WeakPolarHBondContact O-CG 3.44Å; V1061-L1066 PolarHBondContact O-N 3.26Å
1062I91.1Very high87.2Confident3 Ų337.2 Ų37.22%0.01519%0.188CC..Iπ-helixtrans-63.3-45176.2-70.6167.4000111.8I1050 A1058 I1059 H1060 L1066 W1067 I1080 M1083 L1084 I1087I1050-I1062 HydrophobicContact CD1-CD1 3.99Å; A1058-I1062 VanDerWaalsContact O-CB 3.31Å; A1058-I1062 WeakPolarHBondContact O-CB 3.4Å; A1058-I1062 WeakPolarHBondContact O-CD1 3.28Å; A1058-I1062 WeakPolarHBondContact O-CG1 3.45Å; A1058-I1062 PolarHBondContact O-N 2.82Å; I1059-I1062 PolarHBondContact O-N 3.33Å; H1060-I1062 VanDerWaalsContact C-N 3.34Å; H1060-I1062 PolarHBondContact O-N 2.89Å; I1062-L1066 HydrophobicContact CG1-CD1 3.97Å; I1062-W1067 WeakPolarHBondContact O-CB 3.15Å; I1062-W1067 PolarHBondContact O-N 3.43Å; I1062-W1067 VanDerWaalsContact O-N 3.09Å; I1062-I1080 HydrophobicContact CG2-CB 4.46Å; I1062-I1080 HydrophobicContact CG2-CG2 3.42Å; I1062-I1080 VanDerWaalsContact CG2-CG2 3.42Å; I1062-M1083 HydrophobicContact CD1-CB 4.39Å; I1062-L1084 HydrophobicContact CB-CD2 4.25Å; I1062-L1084 HydrophobicContact CD1-CD2 4.48Å; I1062-L1084 HydrophobicContact CG2-CD1 4Å; I1062-L1084 HydrophobicContact CG2-CD2 3.74Å; I1062-L1084 HydrophobicContact CG2-CG 3.8Å; I1062-I1087 HydrophobicContact CD1-CD1 4.19Å
1063C89.4Confident86.9Confident3 Ų337.4 Ų37.42%0.0219%0.189CC..Iπ-helixtrans-89.5-7.9-173.6-60.70000114.8I1059 H1060 N1112 V1116I1059-C1063 WeakPolarHBondContact O-CB 3.33Å; I1059-C1063 PolarHBondContact O-N 3.4Å; I1059-C1063 PolarHBondContact O-SG 3.38Å; I1059-C1063 VanDerWaalsContact O-SG 3.38Å; H1060-C1063 PolarHBondContact O-N 2.87Å; C1063-N1112 HydrophobicContact CB-CB 4.05Å; C1063-V1116 HydrophobicContact CB-CG2 4Å
1064T86.8Confident86.6Confident36 Ų3640.6 Ų40.622%0.22121%0.206CC..Iπ-helixtrans-103-79.5170.357.60000111.2H1060 N1112H1060-T1064 WeakPolarHBondContact O-CB 3.5Å; H1060-T1064 PolarHBondContact O-N 2.93Å; H1060-T1064 PolarHBondContact O-OG1 2.84Å; T1064-N1112 VanDerWaalsContact CG2-ND2 3.26Å; T1064-N1112 WeakPolarHBondContact CG2-ND2 3.45Å
1065T80.7Confident86.3Confident43 Ų4341.4 Ų41.426%0.26421%0.21SC..Iπ-helixtrans-85.5-20.4-163.962.10000113.7E1019 V1061 K1069E1019-T1065 WeakPolarHBondContact OE1-CB 3.38Å; E1019-T1065 PolarHBondContact OE1-OG1 2.99Å; E1019-T1065 WeakPolarHBondContact OE2-CB 3.2Å; E1019-T1065 VanDerWaalsContact OE2-CG2 3.32Å; E1019-T1065 WeakPolarHBondContact OE2-CG2 3.32Å; E1019-T1065 PolarHBondContact OE2-OG1 2.69Å; V1061-T1065 PolarHBondContact O-N 3.49Å; T1065-K1069 WeakPolarHBondContact O-CD 3.31Å; T1065-K1069 WeakPolarHBondContact O-CE 3.29Å; T1065-K1069 WeakPolarHBondContact O-CG 3.23Å
1066L83.9Confident86.3Confident0 Ų042.9 Ų42.90%022%0.215CC..Iπ-helixtrans-94.5-39.5-175.2-62174.9000114.7I1022 T1023 L1026 V1061 I1062 K1069 F1070I1022-L1066 HydrophobicContact CB-CD1 3.82Å; I1022-L1066 HydrophobicContact CG2-CD1 3.2Å; T1023-L1066 HydrophobicContact CG2-CD2 4.45Å; T1023-L1066 WeakPolarHBondContact OG1-CD2 3.24Å; L1026-L1066 HydrophobicContact CD1-CB 4.26Å; L1026-L1066 HydrophobicContact CD1-CD1 3.9Å; L1026-L1066 HydrophobicContact CD1-CD2 4.32Å; L1026-L1066 HydrophobicContact CD1-CG 4.42Å; V1061-L1066 HydrophobicContact CG1-CD1 3.66Å; V1061-L1066 HydrophobicContact CG1-CG 4Å; V1061-L1066 WeakPolarHBondContact O-CG 3.44Å; V1061-L1066 PolarHBondContact O-N 3.26Å; I1062-L1066 HydrophobicContact CG1-CD1 3.97Å; L1066-K1069 PolarHBondContact O-N 3.43Å; L1066-F1070 HydrophobicContact CB-CD2 4.47Å; L1066-F1070 HydrophobicContact CD2-CE2 4.13Å; L1066-F1070 WeakPolarHBondContact O-CD2 3.36Å; L1066-F1070 PolarHBondContact O-N 3.42Å
1067W85.3Confident86.2Confident2 Ų243 Ų431%0.00821%0.212CC..Hα-helixtrans-60.2-53.8-177.3178.8-106.6000111.7I1062 K1069 F1070 L1071 R1077 I1080 V1116 Q1119 L1120I1062-W1067 WeakPolarHBondContact O-CB 3.15Å; I1062-W1067 PolarHBondContact O-N 3.43Å; I1062-W1067 VanDerWaalsContact O-N 3.09Å; W1067-K1069 VanDerWaalsContact C-N 3.3Å; W1067-K1069 PolarHBondContact O-N 2.95Å; W1067-F1070 CarbonylContact O-C 3.45Å; W1067-F1070 PolarHBondContact O-N 2.97Å; W1067-L1071 HydrophobicContact CZ2-CD2 4.2Å; W1067-L1071 PolarHBondContact O-N 3.48Å; W1067-L1071 VanDerWaalsContact O-N 3.1Å; W1067-R1077 HydrophobicContact CH2-CB 3.92Å; W1067-R1077 HydrophobicContact CH2-CG 3.89Å; W1067-R1077 HydrophobicContact CZ3-CB 3.84Å; W1067-R1077 HydrophobicContact CZ3-CG 3.91Å; W1067-I1080 HydrophobicContact CE3-CB 3.99Å; W1067-I1080 HydrophobicContact CE3-CD1 3.9Å; W1067-I1080 HydrophobicContact CE3-CG2 3.55Å; W1067-I1080 HydrophobicContact CZ3-CB 4.09Å; W1067-I1080 HydrophobicContact CZ3-CG2 3.9Å; W1067-V1116 HydrophobicContact CB-CG2 3.94Å; W1067-V1116 HydrophobicContact CD2-CB 4.47Å; W1067-V1116 HydrophobicContact CD2-CG1 3.74Å; W1067-V1116 HydrophobicContact CD2-CG2 4.09Å; W1067-V1116 HydrophobicContact CE3-CG1 3.85Å; W1067-V1116 HydrophobicContact CG-CB 4.5Å; W1067-V1116 HydrophobicContact CG-CG1 4.18Å; W1067-V1116 HydrophobicContact CG-CG2 3.63Å; W1067-V1116 HydrophobicContact CH2-CG1 4.45Å; W1067-V1116 HydrophobicContact CZ2-CG1 4.37Å; W1067-V1116 HydrophobicContact CZ3-CG1 4.19Å; W1067-Q1119 HydrophobicContact CZ2-CB 3.72Å; W1067-L1120 HydrophobicContact CH2-CD2 3.56Å; W1067-L1120 HydrophobicContact CH2-CG 3.92Å; W1067-L1120 HydrophobicContact CZ3-CD2 3.72Å; W1067-L1120 HydrophobicContact CZ3-CG 4.28Å
1068D81.9Confident86.1Confident74 Ų7441.5 Ų41.540%0.39621%0.205SC..Hα-helixtrans-64.1-34.2-178.6-67.4-19000111.5F1070 L1071 K1115D1068-F1070 PolarHBondContact O-N 3.44Å; D1068-L1071 HydrophobicContact CB-CD1 4.46Å; D1068-K1115 IonicContact OD1-NZ 3.86Å; D1068-K1115 PolarHBondContact OD1-NZ 2.97Å; D1068-K1115 IonicContact OD2-NZ 2.7Å; D1068-K1115 PolarHBondContact OD2-NZ 2.85Å
1069K81.8Confident85.9Confident100 Ų10041.5 Ų41.544%0.43521%0.205SC..Hα-helixtrans-64.2-20.2172-75.4177.4-158.8162.80114.4E1019 T1065 L1066 W1067E1019-K1069 IonicContact OE1-NZ 2.69Å; E1019-K1069 PolarHBondContact OE1-NZ 3.48Å; T1065-K1069 WeakPolarHBondContact O-CD 3.31Å; T1065-K1069 WeakPolarHBondContact O-CE 3.29Å; T1065-K1069 WeakPolarHBondContact O-CG 3.23Å; L1066-K1069 PolarHBondContact O-N 3.43Å; W1067-K1069 VanDerWaalsContact C-N 3.3Å; W1067-K1069 PolarHBondContact O-N 2.95Å
1070F80.1Confident85.9Confident17 Ų1741.6 Ų41.68%0.07521%0.205CC..Hα-helixtrans-124.210.3-171.5-65.3-46.9000115.2T1023 L1026 L1066 W1067 D1068 H1072 S1073 R1076 I1080T1023-F1070 HydrophobicContact CG2-CZ 4.45Å; L1026-F1070 HydrophobicContact CB-CD2 4.05Å; L1026-F1070 HydrophobicContact CB-CE2 3.37Å; L1026-F1070 HydrophobicContact CB-CZ 3.8Å; L1026-F1070 HydrophobicContact CD1-CD2 3.86Å; L1026-F1070 HydrophobicContact CD1-CE2 3.68Å; L1026-F1070 HydrophobicContact CG-CE2 4.16Å; L1066-F1070 HydrophobicContact CB-CD2 4.47Å; L1066-F1070 HydrophobicContact CD2-CE2 4.13Å; L1066-F1070 WeakPolarHBondContact O-CD2 3.36Å; L1066-F1070 PolarHBondContact O-N 3.42Å; W1067-F1070 CarbonylContact O-C 3.45Å; W1067-F1070 PolarHBondContact O-N 2.97Å; D1068-F1070 PolarHBondContact O-N 3.44Å; F1070-H1072 PolarHBondContact O-N 3.17Å; F1070-S1073 PolarHBondContact O-N 3.42Å; F1070-R1076 HydrophobicContact CB-CB 3.88Å; F1070-R1076 HydrophobicContact CG-CB 4.24Å; F1070-I1080 HydrophobicContact CB-CD1 4.25Å; F1070-I1080 HydrophobicContact CD2-CD1 4.33Å
1071L75.2Confident85.8Confident59 Ų5937.3 Ų37.331%0.30919%0.185SC..THydrogen-bonded Turntrans-47.6-36.4177.3-76.6168.9000114.4W1067 D1068 R1077W1067-L1071 HydrophobicContact CZ2-CD2 4.2Å; W1067-L1071 PolarHBondContact O-N 3.48Å; W1067-L1071 VanDerWaalsContact O-N 3.1Å; D1068-L1071 HydrophobicContact CB-CD1 4.46Å; L1071-R1077 VanDerWaalsContact O-CD 3.23Å; L1071-R1077 WeakPolarHBondContact O-CD 3.26Å; L1071-R1077 PolarHBondContact O-NH1 2.84Å
1072H82Confident85.8Confident177 Ų17739.9 Ų39.982%0.81920%0.196SC*.THydrogen-bonded Turntrans-75.1-30.7-174.2-58.7-72.5000114.4F1070F1070-H1072 PolarHBondContact O-N 3.17Å
1073S85Confident85.8Confident15 Ų1540 Ų4011%0.10520%0.197CC..  trans-88.9120.7-175.1171.80000111.9E1031 F1070 I1075 R1076 R1077E1031-S1073 VanDerWaalsContact OE1-CA 3.29Å; E1031-S1073 WeakPolarHBondContact OE1-CA 3.46Å; E1031-S1073 WeakPolarHBondContact OE1-CB 3.49Å; E1031-S1073 PolarHBondContact OE1-OG 3.02Å; F1070-S1073 PolarHBondContact O-N 3.42Å; S1073-I1075 VanDerWaalsContact C-N 3.26Å; S1073-I1075 PolarHBondContact O-N 2.85Å; S1073-I1075 PolarHBondContact OG-N 2.86Å; S1073-R1076 PolarHBondContact O-N 2.68Å; S1073-R1076 PolarHBondContact OG-N 3.21Å; S1073-R1077 PolarHBondContact O-N 3.19Å
1074N86.1Confident86Confident74 Ų7439.8 Ų39.840%0.39620%0.196SC..Hα-helixtrans-59.3-39.6177.5-72-33.2000111.4E1031 R1077 N1078 V1125E1031-N1074 PolarHBondContact OE1-N 3.26Å; N1074-R1077 PolarHBondContact OD1-NH1 3.22Å; N1074-R1077 PolarHBondContact OD1-NH2 2.83Å; N1074-N1078 WeakPolarHBondContact O-CB 3.4Å; N1074-N1078 PolarHBondContact O-N 3.36Å; N1074-N1078 VanDerWaalsContact O-N 3.11Å; N1074-V1125 HydrophobicContact CB-CG2 3.96Å
1075I85.3Confident86.1Confident58 Ų5838.3 Ų38.330%0.29719%0.187SC..Hα-helixtrans-73-37.9179.9-60.4-172.2000111.4I1029 E1031 Y1043 S1073 N1078 T1079I1029-I1075 HydrophobicContact CG2-CG2 3.72Å; E1031-I1075 HydrophobicContact CB-CD1 4.37Å; E1031-I1075 HydrophobicContact CG-CB 4.2Å; E1031-I1075 HydrophobicContact CG-CD1 3.58Å; E1031-I1075 HydrophobicContact CG-CG1 3.7Å; E1031-I1075 PolarHBondContact OE1-N 2.77Å; Y1043-I1075 VanDerWaalsContact OH-CG2 3.29Å; Y1043-I1075 WeakPolarHBondContact OH-CG2 3.27Å; S1073-I1075 VanDerWaalsContact C-N 3.26Å; S1073-I1075 PolarHBondContact O-N 2.85Å; S1073-I1075 PolarHBondContact OG-N 2.86Å; I1075-N1078 WeakPolarHBondContact O-CB 3.36Å; I1075-N1078 PolarHBondContact O-N 3.21Å; I1075-T1079 WeakPolarHBondContact O-CB 3.44Å; I1075-T1079 PolarHBondContact O-N 3.19Å; I1075-T1079 PolarHBondContact O-OG1 2.9Å
1076R88.3Confident86.4Confident56 Ų5638.1 Ų38.121%0.21118%0.181CC..Hα-helixtrans-71.8-40.8177.8-64-175.3-177.4142-1.8112.8L1026 S1027 I1029 F1070 S1073 N1078 T1079 I1080L1026-R1076 PolarHBondContact O-NE 2.96Å; S1027-R1076 PolarHBondContact O-NH2 3.43Å; I1029-R1076 WeakPolarHBondContact O-CG 3.34Å; I1029-R1076 PolarHBondContact O-NE 2.94Å; F1070-R1076 HydrophobicContact CB-CB 3.88Å; F1070-R1076 HydrophobicContact CG-CB 4.24Å; S1073-R1076 PolarHBondContact O-N 2.68Å; S1073-R1076 PolarHBondContact OG-N 3.21Å; R1076-N1078 VanDerWaalsContact C-N 3.32Å; R1076-N1078 PolarHBondContact O-N 3.17Å; R1076-T1079 WeakPolarHBondContact O-CB 3.37Å; R1076-T1079 PolarHBondContact O-N 3.46Å; R1076-I1080 WeakPolarHBondContact O-CG1 3.37Å; R1076-I1080 PolarHBondContact O-N 3.4Å
1077R89Confident86.6Confident26 Ų2638.1 Ų38.110%0.09818%0.181CC..Hα-helixtrans-61-41.7172-66.4-161.9-47.1-70.1-10.7111.9W1067 L1071 S1073 N1074 T1079 I1080 G1081 D1123 T1128W1067-R1077 HydrophobicContact CH2-CB 3.92Å; W1067-R1077 HydrophobicContact CH2-CG 3.89Å; W1067-R1077 HydrophobicContact CZ3-CB 3.84Å; W1067-R1077 HydrophobicContact CZ3-CG 3.91Å; L1071-R1077 VanDerWaalsContact O-CD 3.23Å; L1071-R1077 WeakPolarHBondContact O-CD 3.26Å; L1071-R1077 PolarHBondContact O-NH1 2.84Å; S1073-R1077 PolarHBondContact O-N 3.19Å; N1074-R1077 PolarHBondContact OD1-NH1 3.22Å; N1074-R1077 PolarHBondContact OD1-NH2 2.83Å; R1077-T1079 VanDerWaalsContact C-N 3.34Å; R1077-T1079 PolarHBondContact O-N 3.49Å; R1077-I1080 PolarHBondContact O-N 2.87Å; R1077-G1081 PolarHBondContact O-N 3.24Å; R1077-D1123 IonicContact CZ-OD1 2.81Å; R1077-D1123 IonicContact CZ-OD2 2.93Å; R1077-D1123 VanDerWaalsContact CZ-OD2 3.32Å; R1077-D1123 IonicContact NE-OD1 3.16Å; R1077-D1123 IonicContact NE-OD2 3.58Å; R1077-D1123 PolarHBondContact NE-OD2 2.95Å; R1077-D1123 VanDerWaalsContact NH2-CG 3.32Å; R1077-D1123 IonicContact NH2-OD1 3.83Å; R1077-D1123 PolarHBondContact NH2-OD1 3.06Å; R1077-D1123 IonicContact NH2-OD2 3.45Å; R1077-D1123 PolarHBondContact NH2-OD2 3.22Å; R1077-D1123 VanDerWaalsContact NH2-OD2 3.07Å; R1077-T1128 HydrophobicContact CB-CG2 4.47Å
1078N89.2Confident86.5Confident25 Ų2538 Ų3813%0.13418%0.181CC..Hα-helixtrans-58.9-44.7173.5-166.4-85.2000112.1N1074 I1075 R1076 G1081 Q1082 S1127 T1128N1074-N1078 WeakPolarHBondContact O-CB 3.4Å; N1074-N1078 PolarHBondContact O-N 3.36Å; N1074-N1078 VanDerWaalsContact O-N 3.11Å; I1075-N1078 WeakPolarHBondContact O-CB 3.36Å; I1075-N1078 PolarHBondContact O-N 3.21Å; R1076-N1078 VanDerWaalsContact C-N 3.32Å; R1076-N1078 PolarHBondContact O-N 3.17Å; N1078-G1081 PolarHBondContact O-N 3.39Å; N1078-Q1082 WeakPolarHBondContact O-CB 3.5Å; N1078-Q1082 PolarHBondContact O-N 2.89Å; N1078-S1127 PolarHBondContact ND2-OG 3.41Å; N1078-T1128 WeakPolarHBondContact CA-OG1 3.46Å; N1078-T1128 WeakPolarHBondContact CB-OG1 3.44Å; N1078-T1128 PolarHBondContact ND2-N 3.26Å; N1078-T1128 PolarHBondContact ND2-OG1 3.22Å
1079T88.8Confident86.4Confident0 Ų035.7 Ų35.70%017%0.17CC..Hα-helixtrans-60.5-44.1175.1-55.40000112.2L1026 I1029 Y1043 L1046 I1075 R1076 R1077 Q1082 M1083L1026-T1079 HydrophobicContact CD2-CG2 3.55Å; I1029-T1079 HydrophobicContact CD1-CG2 3.84Å; Y1043-T1079 HydrophobicContact CD1-CG2 4.05Å; Y1043-T1079 HydrophobicContact CE1-CG2 3.54Å; Y1043-T1079 WeakPolarHBondContact CE1-OG1 3.25Å; Y1043-T1079 PolarHBondContact OH-OG1 3.33Å; L1046-T1079 HydrophobicContact CD2-CG2 3.82Å; I1075-T1079 WeakPolarHBondContact O-CB 3.44Å; I1075-T1079 PolarHBondContact O-N 3.19Å; I1075-T1079 PolarHBondContact O-OG1 2.9Å; R1076-T1079 WeakPolarHBondContact O-CB 3.37Å; R1076-T1079 PolarHBondContact O-N 3.46Å; R1077-T1079 VanDerWaalsContact C-N 3.34Å; R1077-T1079 PolarHBondContact O-N 3.49Å; T1079-Q1082 WeakPolarHBondContact O-CB 3.44Å; T1079-Q1082 PolarHBondContact O-N 3.16Å; T1079-M1083 HydrophobicContact CG2-CG 4.3Å; T1079-M1083 WeakPolarHBondContact O-CB 3.37Å; T1079-M1083 VanDerWaalsContact O-CG 3.3Å; T1079-M1083 WeakPolarHBondContact O-CG 3.2Å; T1079-M1083 PolarHBondContact O-N 3.4Å
1080I91.1Very high85.8Confident2 Ų235.9 Ų35.91%0.0118%0.176CC..Hα-helixtrans-64.8-43.5178-71.5165.7000110.4L1026 I1062 W1067 F1070 R1076 R1077 Q1082 M1083 L1084L1026-I1080 HydrophobicContact CD1-CD1 4.34Å; L1026-I1080 HydrophobicContact CD1-CG1 4.18Å; L1026-I1080 HydrophobicContact CD2-CG1 4.42Å; I1062-I1080 HydrophobicContact CG2-CB 4.46Å; I1062-I1080 HydrophobicContact CG2-CG2 3.42Å; I1062-I1080 VanDerWaalsContact CG2-CG2 3.42Å; W1067-I1080 HydrophobicContact CE3-CB 3.99Å; W1067-I1080 HydrophobicContact CE3-CD1 3.9Å; W1067-I1080 HydrophobicContact CE3-CG2 3.55Å; W1067-I1080 HydrophobicContact CZ3-CB 4.09Å; W1067-I1080 HydrophobicContact CZ3-CG2 3.9Å; F1070-I1080 HydrophobicContact CB-CD1 4.25Å; F1070-I1080 HydrophobicContact CD2-CD1 4.33Å; R1076-I1080 WeakPolarHBondContact O-CG1 3.37Å; R1076-I1080 PolarHBondContact O-N 3.4Å; R1077-I1080 PolarHBondContact O-N 2.87Å; I1080-Q1082 VanDerWaalsContact C-N 3.33Å; I1080-Q1082 PolarHBondContact O-N 3.31Å; I1080-M1083 PolarHBondContact O-N 2.89Å; I1080-L1084 HydrophobicContact CG2-CD1 3.91Å; I1080-L1084 HydrophobicContact CG2-CG 4.34Å; I1080-L1084 WeakPolarHBondContact O-CB 3.22Å; I1080-L1084 WeakPolarHBondContact O-CG 3.47Å; I1080-L1084 PolarHBondContact O-N 3.26Å
1081G90.6Very high85Confident0 Ų036.9 Ų36.90%018%0.181CC..Hα-helixtrans-57.3-44.7170.900000112.5R1077 N1078 M1083 S1085 Y1131R1077-G1081 PolarHBondContact O-N 3.24Å; N1078-G1081 PolarHBondContact O-N 3.39Å; G1081-M1083 PolarHBondContact O-N 3.13Å; G1081-S1085 WeakPolarHBondContact O-CB 3.46Å; G1081-S1085 PolarHBondContact O-N 3.33Å; G1081-Y1131 WeakPolarHBondContact O-CB 3.42Å
1082Q90.9Very high84.3Confident67 Ų6734.5 Ų34.531%0.31317%0.169SC..Hα-helixtrans-62.3-40.9176.5-174.6179.6-10.100112.2N1078 T1079 I1080 Y1086 Y1131N1078-Q1082 WeakPolarHBondContact O-CB 3.5Å; N1078-Q1082 PolarHBondContact O-N 2.89Å; T1079-Q1082 WeakPolarHBondContact O-CB 3.44Å; T1079-Q1082 PolarHBondContact O-N 3.16Å; I1080-Q1082 VanDerWaalsContact C-N 3.33Å; I1080-Q1082 PolarHBondContact O-N 3.31Å; Q1082-Y1086 VanDerWaalsContact O-CB 3.28Å; Q1082-Y1086 WeakPolarHBondContact O-CB 3.31Å; Q1082-Y1086 PolarHBondContact O-N 3.13Å; Q1082-Y1131 HydrophobicContact CB-CD2 4.31Å; Q1082-Y1131 HydrophobicContact CB-CE1 4.15Å; Q1082-Y1131 HydrophobicContact CB-CE2 3.78Å; Q1082-Y1131 HydrophobicContact CG-CE1 4.24Å; Q1082-Y1131 HydrophobicContact CG-CE2 4.46Å
1083M91.6Very high83.2Confident5 Ų530.6 Ų30.63%0.02516%0.159CC..Hα-helixtrans-75.8-37.6-179.1-68.8-61.4160.600112.7Y1043 L1046 E1047 I1050 I1062 T1079 I1080 G1081 Y1086 I1087Y1043-M1083 HydrophobicContact CD1-CE 4.34Å; L1046-M1083 HydrophobicContact CB-CE 4.37Å; L1046-M1083 HydrophobicContact CD2-CE 3.99Å; L1046-M1083 HydrophobicContact CD2-CG 4.02Å; L1046-M1083 HydrophobicContact CD2-SD 4.42Å; L1046-M1083 HydrophobicContact CG-CE 3.92Å; L1046-M1083 HydrophobicContact CG-CG 4.2Å; L1046-M1083 HydrophobicContact CG-SD 4.09Å; E1047-M1083 HydrophobicContact CB-CE 4.34Å; I1050-M1083 HydrophobicContact CD1-CB 3.94Å; I1050-M1083 HydrophobicContact CD1-CG 3.97Å; I1050-M1083 HydrophobicContact CD1-SD 3.89Å; I1062-M1083 HydrophobicContact CD1-CB 4.39Å; T1079-M1083 HydrophobicContact CG2-CG 4.3Å; T1079-M1083 WeakPolarHBondContact O-CB 3.37Å; T1079-M1083 VanDerWaalsContact O-CG 3.3Å; T1079-M1083 WeakPolarHBondContact O-CG 3.2Å; T1079-M1083 PolarHBondContact O-N 3.4Å; I1080-M1083 PolarHBondContact O-N 2.89Å; G1081-M1083 PolarHBondContact O-N 3.13Å; M1083-Y1086 WeakPolarHBondContact O-CB 3.26Å; M1083-Y1086 PolarHBondContact O-N 3.15Å; M1083-I1087 VanDerWaalsContact O-CG1 3.3Å; M1083-I1087 WeakPolarHBondContact O-CG1 3.09Å; M1083-I1087 PolarHBondContact O-N 3.18Å
1084L91.8Very high82Confident0 Ų031.2 Ų31.20%016%0.163CC..Hα-helixtrans-65.4-41.2170.7-69.9173.4000111.2I1059 I1062 I1080 Y1086 I1087 I1088 L1113 V1116 L1120 I1135I1059-L1084 HydrophobicContact CG1-CD2 4.08Å; I1059-L1084 HydrophobicContact CG2-CD2 4.44Å; I1062-L1084 HydrophobicContact CB-CD2 4.25Å; I1062-L1084 HydrophobicContact CD1-CD2 4.48Å; I1062-L1084 HydrophobicContact CG2-CD1 4Å; I1062-L1084 HydrophobicContact CG2-CD2 3.74Å; I1062-L1084 HydrophobicContact CG2-CG 3.8Å; I1080-L1084 HydrophobicContact CG2-CD1 3.91Å; I1080-L1084 HydrophobicContact CG2-CG 4.34Å; I1080-L1084 WeakPolarHBondContact O-CB 3.22Å; I1080-L1084 WeakPolarHBondContact O-CG 3.47Å; I1080-L1084 PolarHBondContact O-N 3.26Å; L1084-Y1086 VanDerWaalsContact C-N 3.33Å; L1084-Y1086 PolarHBondContact O-N 2.78Å; L1084-I1087 PolarHBondContact O-N 3.24Å; L1084-I1088 WeakPolarHBondContact O-CB 3.35Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.3Å; L1084-I1088 PolarHBondContact O-N 3.41Å; L1084-L1113 HydrophobicContact CD1-CD1 4.42Å; L1084-L1113 HydrophobicContact CD2-CD1 4.24Å; L1084-V1116 HydrophobicContact CD1-CG1 3.72Å; L1084-L1120 HydrophobicContact CD1-CD1 4.26Å; L1084-I1135 HydrophobicContact CB-CD1 3.54Å; L1084-I1135 HydrophobicContact CB-CG1 4.39Å
1085S89.5Confident81.1Confident4 Ų434.3 Ų34.33%0.02817%0.17CC..Hα-helixtrans-66.3-33.3173-174.70000112.1G1081 C1089 N1090G1081-S1085 WeakPolarHBondContact O-CB 3.46Å; G1081-S1085 PolarHBondContact O-N 3.33Å; S1085-C1089 WeakPolarHBondContact O-CA 3.39Å; S1085-C1089 WeakPolarHBondContact O-CB 3.27Å; S1085-C1089 PolarHBondContact O-N 3.4Å; S1085-C1089 PolarHBondContact O-SG 3.16Å; S1085-C1089 PolarHBondContact OG-SG 3.44Å; S1085-N1090 PolarHBondContact O-N 3.25Å
1086Y87.4Confident80.2Confident39 Ų3935 Ų3515%0.15317%0.171CC..Iπ-helixtrans-62.4-49.2172.3176.4-101.1000111.6E1047 I1050 Q1082 M1083 L1084 N1090 Q1091E1047-Y1086 HydrophobicContact CG-CD1 4.49Å; E1047-Y1086 HydrophobicContact CG-CD2 4.29Å; E1047-Y1086 HydrophobicContact CG-CE1 3.84Å; E1047-Y1086 HydrophobicContact CG-CE2 3.63Å; E1047-Y1086 WeakPolarHBondContact CG-OH 3.33Å; E1047-Y1086 WeakPolarHBondContact OE1-CE2 3.27Å; E1047-Y1086 PolarHBondContact OE1-OH 3.49Å; I1050-Y1086 HydrophobicContact CG2-CD1 4.19Å; I1050-Y1086 HydrophobicContact CG2-CE1 4.28Å; Q1082-Y1086 VanDerWaalsContact O-CB 3.28Å; Q1082-Y1086 WeakPolarHBondContact O-CB 3.31Å; Q1082-Y1086 PolarHBondContact O-N 3.13Å; M1083-Y1086 WeakPolarHBondContact O-CB 3.26Å; M1083-Y1086 PolarHBondContact O-N 3.15Å; L1084-Y1086 VanDerWaalsContact C-N 3.33Å; L1084-Y1086 PolarHBondContact O-N 2.78Å; Y1086-N1090 HydrophobicContact CD2-CB 4.38Å; Y1086-N1090 WeakPolarHBondContact O-CB 3.45Å; Y1086-N1090 PolarHBondContact O-N 2.93Å; Y1086-N1090 VanDerWaalsContact O-N 3.17Å; Y1086-Q1091 HydrophobicContact CD1-CG 3.95Å; Y1086-Q1091 HydrophobicContact CE1-CG 3.64Å; Y1086-Q1091 HydrophobicContact CE2-CG 4.29Å; Y1086-Q1091 HydrophobicContact CG-CG 4.41Å; Y1086-Q1091 WeakPolarHBondContact O-CG 3.36Å; Y1086-Q1091 PolarHBondContact O-N 3.49Å
1087I87.2Confident79.3Confident0 Ų034.2 Ų34.20%017%0.169CC..Iπ-helixtrans-65-47.9179.6-61.7161.9000111.5I1050 H1055 A1058 I1059 I1062 M1083 L1084 L1092 L1101I1050-I1087 HydrophobicContact CG2-CD1 3.7Å; I1050-I1087 HydrophobicContact CG2-CG1 3.54Å; H1055-I1087 HydrophobicContact CB-CG2 3.81Å; A1058-I1087 HydrophobicContact CB-CD1 3.87Å; I1059-I1087 HydrophobicContact CD1-CG2 3.74Å; I1059-I1087 HydrophobicContact CG1-CD1 3.97Å; I1059-I1087 HydrophobicContact CG1-CG2 4.02Å; I1062-I1087 HydrophobicContact CD1-CD1 4.19Å; M1083-I1087 VanDerWaalsContact O-CG1 3.3Å; M1083-I1087 WeakPolarHBondContact O-CG1 3.09Å; M1083-I1087 PolarHBondContact O-N 3.18Å; L1084-I1087 PolarHBondContact O-N 3.24Å; I1087-L1092 WeakPolarHBondContact O-CG 3.49Å; I1087-L1101 HydrophobicContact CG2-CD2 4.21Å
1088I84.9Confident78.5Confident0 Ų033 Ų330%016%0.164CC..Iπ-helixtrans-88.9-37.1-168.2-62.9167.5000112.4I1059 L1084 N1098 L1101 L1113 I1135 Q1138I1059-I1088 HydrophobicContact CD1-CD1 4.09Å; I1059-I1088 HydrophobicContact CD1-CG1 3.98Å; L1084-I1088 WeakPolarHBondContact O-CB 3.35Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.3Å; L1084-I1088 PolarHBondContact O-N 3.41Å; I1088-N1098 PolarHBondContact O-ND2 3.34Å; I1088-N1098 PolarHBondContact O-OD1 3.48Å; I1088-L1101 HydrophobicContact CG1-CD2 4.39Å; I1088-L1113 HydrophobicContact CD1-CD1 3.86Å; I1088-L1113 HydrophobicContact CD1-CD2 3.89Å; I1088-I1135 HydrophobicContact CD1-CG2 3.66Å; I1088-I1135 HydrophobicContact CG2-CG2 4.5Å; I1088-Q1138 HydrophobicContact CG2-CB 3.76Å; I1088-Q1138 HydrophobicContact CG2-CG 4.49Å
1089C78.6Confident77.7Confident25 Ų2533.4 Ų33.417%0.16917%0.169CC..Iπ-helixtrans-94.5-40.8-178.6-440000112.5S1085 Q1138S1085-C1089 WeakPolarHBondContact O-CA 3.39Å; S1085-C1089 WeakPolarHBondContact O-CB 3.27Å; S1085-C1089 PolarHBondContact O-N 3.4Å; S1085-C1089 PolarHBondContact O-SG 3.16Å; S1085-C1089 PolarHBondContact OG-SG 3.44Å; C1089-Q1138 HydrophobicContact CB-CG 4.42Å
1090N68.8Low77.2Confident105 Ų10538.1 Ų38.156%0.56119%0.193SC*.Iπ-helixtrans-97.7-44.7-167.5-57.6-16.9000113.8S1085 Y1086S1085-N1090 PolarHBondContact O-N 3.25Å; Y1086-N1090 HydrophobicContact CD2-CB 4.38Å; Y1086-N1090 WeakPolarHBondContact O-CB 3.45Å; Y1086-N1090 PolarHBondContact O-N 2.93Å; Y1086-N1090 VanDerWaalsContact O-N 3.17Å
1091Q63.1Low76.8Confident37 Ų3738.4 Ų38.417%0.17319%0.194CC..SBendtrans-82.4-16.6-175.8-65.5-175.6-54.700114.3H1055 Y1086H1055-Q1091 PolarHBondContact CE1-OE1 2.95Å; Y1086-Q1091 HydrophobicContact CD1-CG 3.95Å; Y1086-Q1091 HydrophobicContact CE1-CG 3.64Å; Y1086-Q1091 HydrophobicContact CE2-CG 4.29Å; Y1086-Q1091 HydrophobicContact CG-CG 4.41Å; Y1086-Q1091 WeakPolarHBondContact O-CG 3.36Å; Y1086-Q1091 PolarHBondContact O-N 3.49Å
1092L61.1Low76.3Confident9 Ų939 Ų395%0.04720%0.197CC..  trans-127.751.6-175.6-60174.5000112.6I1087 S1094 K1097 N1098 L1101I1087-L1092 WeakPolarHBondContact O-CG 3.49Å; L1092-S1094 PolarHBondContact O-N 3.19Å; L1092-K1097 HydrophobicContact CB-CB 4.14Å; L1092-K1097 HydrophobicContact CD2-CB 4.08Å; L1092-N1098 WeakPolarHBondContact CB-OD1 3.39Å; L1092-L1101 HydrophobicContact CD1-CB 3.87Å; L1092-L1101 HydrophobicContact CD1-CD2 3.29Å; L1092-L1101 HydrophobicContact CD1-CG 4.06Å
1093P58.3Low75.7Confident95 Ų9543.8 Ų43.862%0.61722%0.217SC*.  trans-72.821.7-165.234.1-40.8000115.3
1094S60.7Low75.4Confident28 Ų2850 Ų5020%0.19624%0.241CC..SBendtrans-139.9134-178.978.50000111.7H596 L1092 K1096 K1097 N1098H596-S1094 PolarHBondContact CD2-OG 2.95Å; H596-S1094 PolarHBondContact CE1-OG 3.04Å; H596-S1094 VanDerWaalsContact NE2-CB 3.25Å; H596-S1094 WeakPolarHBondContact NE2-CB 3.47Å; H596-S1094 PolarHBondContact NE2-OG 3.18Å; L1092-S1094 PolarHBondContact O-N 3.19Å; S1094-K1096 VanDerWaalsContact C-N 3.3Å; S1094-K1096 PolarHBondContact O-N 3.26Å; S1094-K1097 WeakPolarHBondContact O-CA 3.3Å; S1094-K1097 WeakPolarHBondContact O-CB 3.3Å; S1094-K1097 PolarHBondContact O-N 3.44Å; S1094-K1097 WeakPolarHBondContact OG-CD 3.28Å; S1094-K1097 WeakPolarHBondContact OG-CE 3.2Å; S1094-K1097 WeakPolarHBondContact OG-CG 3.47Å; S1094-N1098 PolarHBondContact O-N 2.97Å
1095R66.1Low75Confident140 Ų14050.9 Ų50.953%0.52825%0.245SC..Hα-helixtrans-54.7-35.6-162.4-71.7-173.8179.5170-1.6114.9S1099 M1141 V1142R1095-S1099 WeakPolarHBondContact O-CB 3.36Å; R1095-S1099 PolarHBondContact O-N 3.44Å; R1095-M1141 PolarHBondContact NH2-SD 3.13Å; R1095-V1142 HydrophobicContact CB-CG2 4.47Å; R1095-V1142 HydrophobicContact CG-CG2 4.45Å
1096K68Low74.6Confident73 Ų7352.4 Ų52.432%0.31726%0.261SS..Hα-helixtrans-75.7-21176.9-26.4169.9-156.4175.70113.3H596 H597 S598 S1094 S1099 I1100H596-K1096 WeakPolarHBondContact CE1-CB 3.31Å; H596-K1096 WeakPolarHBondContact NE2-CG 3.28Å; H596-K1096 PolarHBondContact NE2-N 2.93Å; H596-K1096 VanDerWaalsContact NE2-N 3.15Å; H596-K1096 PolarHBondContact O-NZ 3.43Å; H597-K1096 PolarHBondContact O-NZ 2.84Å; S598-K1096 PolarHBondContact O-NZ 2.86Å; S1094-K1096 VanDerWaalsContact C-N 3.3Å; S1094-K1096 PolarHBondContact O-N 3.26Å; K1096-S1099 WeakPolarHBondContact CA-OG 3.25Å; K1096-S1099 PolarHBondContact O-OG 2.95Å; K1096-I1100 WeakPolarHBondContact O-CB 3.41Å; K1096-I1100 WeakPolarHBondContact O-CD1 3.22Å; K1096-I1100 WeakPolarHBondContact O-CG1 3.49Å; K1096-I1100 PolarHBondContact O-N 3.3Å
1097K69.7Low73.9Confident39 Ų3955.1 Ų55.117%0.1727%0.272CS..Hα-helixtrans-71.8-45.7173.4-67.9173.1-163.7170.30110R594 L1092 S1094 I1100 L1101R594-K1097 WeakPolarHBondContact O-CE 3.39Å; R594-K1097 PolarHBondContact O-NZ 3.3Å; L1092-K1097 HydrophobicContact CB-CB 4.14Å; L1092-K1097 HydrophobicContact CD2-CB 4.08Å; S1094-K1097 WeakPolarHBondContact O-CA 3.3Å; S1094-K1097 WeakPolarHBondContact O-CB 3.3Å; S1094-K1097 PolarHBondContact O-N 3.44Å; S1094-K1097 WeakPolarHBondContact OG-CD 3.28Å; S1094-K1097 WeakPolarHBondContact OG-CE 3.2Å; S1094-K1097 WeakPolarHBondContact OG-CG 3.47Å; K1097-I1100 PolarHBondContact O-N 3.35Å; K1097-L1101 PolarHBondContact O-N 3Å
1098N71.9Confident73.6Confident1 Ų160.4 Ų60.41%0.00530%0.3CS..Hα-helixtrans-64.6-39.2170.2-84.5-14.6000111.8I1088 L1092 S1094 I1100 L1101 L1102 V1142I1088-N1098 PolarHBondContact O-ND2 3.34Å; I1088-N1098 PolarHBondContact O-OD1 3.48Å; L1092-N1098 WeakPolarHBondContact CB-OD1 3.39Å; S1094-N1098 PolarHBondContact O-N 2.97Å; N1098-I1100 VanDerWaalsContact C-N 3.35Å; N1098-I1100 PolarHBondContact O-N 2.81Å; N1098-L1101 PolarHBondContact O-N 2.96Å; N1098-L1102 WeakPolarHBondContact O-CB 3.39Å; N1098-L1102 VanDerWaalsContact O-CG 3.23Å; N1098-L1102 WeakPolarHBondContact O-CG 3.21Å; N1098-L1102 PolarHBondContact O-N 3.29Å; N1098-V1142 HydrophobicContact CB-CG1 4.49Å; N1098-V1142 HydrophobicContact CB-CG2 4.01Å
1099S72Confident73.6Confident33 Ų3360.5 Ų60.523%0.23130%0.301CS..Hα-helixtrans-66.3-35.817786.50000112.9R1095 K1096 K1103 V1142R1095-S1099 WeakPolarHBondContact O-CB 3.36Å; R1095-S1099 PolarHBondContact O-N 3.44Å; K1096-S1099 WeakPolarHBondContact CA-OG 3.25Å; K1096-S1099 PolarHBondContact O-OG 2.95Å; S1099-K1103 VanDerWaalsContact O-CB 3.28Å; S1099-K1103 WeakPolarHBondContact O-CB 3.14Å; S1099-K1103 WeakPolarHBondContact O-CG 3.19Å; S1099-K1103 PolarHBondContact O-N 2.65Å; S1099-V1142 VanDerWaalsContact CA-CG1 3.45Å
1100I78.1Confident73.7Confident99 Ų9960 Ų6051%0.50830%0.296SS..Hα-helixtrans-66.2-46171.5-71.4164.6000110.8K1096 K1097 N1098 K1103 R1104K1096-I1100 WeakPolarHBondContact O-CB 3.41Å; K1096-I1100 WeakPolarHBondContact O-CD1 3.22Å; K1096-I1100 WeakPolarHBondContact O-CG1 3.49Å; K1096-I1100 PolarHBondContact O-N 3.3Å; K1097-I1100 PolarHBondContact O-N 3.35Å; N1098-I1100 VanDerWaalsContact C-N 3.35Å; N1098-I1100 PolarHBondContact O-N 2.81Å; I1100-K1103 PolarHBondContact O-N 2.69Å; I1100-R1104 HydrophobicContact CG2-CG 4.43Å; I1100-R1104 WeakPolarHBondContact O-CB 3.39Å; I1100-R1104 VanDerWaalsContact O-CG 3.24Å; I1100-R1104 WeakPolarHBondContact O-CG 3.46Å; I1100-R1104 PolarHBondContact O-N 3.45Å
1101L82.4Confident74.4Confident8 Ų858.9 Ų58.94%0.04229%0.287CS..Hα-helixtrans-58.4-53.2176174.867.8000111.6H1055 V1056 I1059 I1087 I1088 L1092 K1097 N1098 K1103 R1104 L1105H1055-L1101 HydrophobicContact CB-CD1 3.88Å; V1056-L1101 HydrophobicContact CG2-CD1 3.75Å; I1059-L1101 HydrophobicContact CD1-CD1 4.28Å; I1059-L1101 HydrophobicContact CD1-CD2 3.63Å; I1059-L1101 HydrophobicContact CD1-CG 4.28Å; I1087-L1101 HydrophobicContact CG2-CD2 4.21Å; I1088-L1101 HydrophobicContact CG1-CD2 4.39Å; L1092-L1101 HydrophobicContact CD1-CB 3.87Å; L1092-L1101 HydrophobicContact CD1-CD2 3.29Å; L1092-L1101 HydrophobicContact CD1-CG 4.06Å; K1097-L1101 PolarHBondContact O-N 3Å; N1098-L1101 PolarHBondContact O-N 2.96Å; L1101-K1103 VanDerWaalsContact C-N 3.29Å; L1101-K1103 PolarHBondContact O-N 2.99Å; L1101-R1104 CarbonylContact O-C 3.58Å; L1101-R1104 WeakPolarHBondContact O-CA 3.47Å; L1101-R1104 PolarHBondContact O-N 3.46Å; L1101-L1105 PolarHBondContact O-N 2.91Å
1102L79.7Confident75.5Confident12 Ų1259.4 Ų59.46%0.06329%0.291CS..Hα-helixtrans-65.1-32.5-176.6-63.9174.5000111.7N1098 L1105 M1110 L1113 I1139 V1142 T1143N1098-L1102 WeakPolarHBondContact O-CB 3.39Å; N1098-L1102 VanDerWaalsContact O-CG 3.23Å; N1098-L1102 WeakPolarHBondContact O-CG 3.21Å; N1098-L1102 PolarHBondContact O-N 3.29Å; L1102-L1105 HydrophobicContact CD2-CD1 3.84Å; L1102-M1110 HydrophobicContact CB-CE 4.07Å; L1102-M1110 HydrophobicContact CD1-CE 4.08Å; L1102-M1110 HydrophobicContact CD2-CE 3.86Å; L1102-M1110 HydrophobicContact CD2-SD 4.2Å; L1102-M1110 HydrophobicContact CG-CE 4.2Å; L1102-L1113 HydrophobicContact CD2-CD2 4.06Å; L1102-I1139 HydrophobicContact CD1-CG1 4.41Å; L1102-I1139 HydrophobicContact CD2-CG1 4.45Å; L1102-V1142 HydrophobicContact CD1-CB 4.1Å; L1102-V1142 HydrophobicContact CD1-CG1 3.82Å; L1102-T1143 HydrophobicContact CD1-CG2 4.45Å
1103K78.7Confident76.8Confident167 Ų16759 Ų5973%0.72629%0.288SS*.Hα-helixtrans-64.8-42.7167.7-77.3175.8178.3-1720112.3S1099 I1100 L1101 L1105 G1106S1099-K1103 VanDerWaalsContact O-CB 3.28Å; S1099-K1103 WeakPolarHBondContact O-CB 3.14Å; S1099-K1103 WeakPolarHBondContact O-CG 3.19Å; S1099-K1103 PolarHBondContact O-N 2.65Å; I1100-K1103 PolarHBondContact O-N 2.69Å; L1101-K1103 VanDerWaalsContact C-N 3.29Å; L1101-K1103 PolarHBondContact O-N 2.99Å; K1103-L1105 VanDerWaalsContact C-N 3.34Å; K1103-L1105 PolarHBondContact O-N 3.4Å; K1103-G1106 PolarHBondContact O-N 2.85Å
1104R84.9Confident78.1Confident137 Ų13754.8 Ų54.852%0.51726%0.261SS..Hα-helixtrans-71.3-22.3179.5-68174.180.1-127.1-1.2114D1054 V1056 I1100 L1101 G1106D1054-R1104 IonicContact OD1-CZ 2.7Å; D1054-R1104 IonicContact OD1-NH1 2.71Å; D1054-R1104 PolarHBondContact OD1-NH1 3.05Å; D1054-R1104 IonicContact OD1-NH2 3.11Å; D1054-R1104 IonicContact OD2-CZ 3.12Å; D1054-R1104 IonicContact OD2-NH1 3.8Å; D1054-R1104 PolarHBondContact OD2-NH1 2.99Å; D1054-R1104 VanDerWaalsContact OD2-NH1 3.12Å; D1054-R1104 IonicContact OD2-NH2 2.82Å; D1054-R1104 PolarHBondContact OD2-NH2 2.84Å; V1056-R1104 HydrophobicContact CG2-CB 3.54Å; I1100-R1104 HydrophobicContact CG2-CG 4.43Å; I1100-R1104 WeakPolarHBondContact O-CB 3.39Å; I1100-R1104 VanDerWaalsContact O-CG 3.24Å; I1100-R1104 WeakPolarHBondContact O-CG 3.46Å; I1100-R1104 PolarHBondContact O-N 3.45Å; L1101-R1104 CarbonylContact O-C 3.58Å; L1101-R1104 WeakPolarHBondContact O-CA 3.47Å; L1101-R1104 PolarHBondContact O-N 3.46Å; R1104-G1106 VanDerWaalsContact C-N 3.26Å
1105L83.4Confident79.4Confident17 Ų1757.3 Ų57.39%0.08927%0.268CS..Hα-helixtrans-67.2-26.9170.5-71176.3000112.9V1056 I1059 L1101 L1102 K1103 G1109 L1113V1056-L1105 HydrophobicContact CG1-CD2 4.24Å; I1059-L1105 HydrophobicContact CB-CD2 3.88Å; I1059-L1105 HydrophobicContact CD1-CD1 4.29Å; I1059-L1105 HydrophobicContact CD1-CD2 4.4Å; I1059-L1105 HydrophobicContact CG2-CD1 4.07Å; I1059-L1105 HydrophobicContact CG2-CD2 3.68Å; L1101-L1105 PolarHBondContact O-N 2.91Å; L1102-L1105 HydrophobicContact CD2-CD1 3.84Å; K1103-L1105 VanDerWaalsContact C-N 3.34Å; K1103-L1105 PolarHBondContact O-N 3.4Å; L1105-G1109 WeakPolarHBondContact O-CA 3.45Å; L1105-G1109 PolarHBondContact O-N 3.03Å; L1105-L1113 HydrophobicContact CD1-CD2 3.91Å
1106G80.8Confident80.5Confident36 Ų3650.6 Ų50.637%0.37124%0.243SC..Hα-helixtrans62.4-177.1-172.800000113.9K1103 R1104 N1108 G1109 M1110K1103-G1106 PolarHBondContact O-N 2.85Å; R1104-G1106 VanDerWaalsContact C-N 3.26Å; G1106-N1108 PolarHBondContact O-N 2.85Å; G1106-G1109 PolarHBondContact O-N 3.45Å; G1106-M1110 WeakPolarHBondContact O-CB 3.33Å; G1106-M1110 PolarHBondContact O-N 3.44Å
1107Y73.8Confident81.5Confident96 Ų9647.1 Ų47.138%0.37623%0.228SC..Hα-helixtrans-56.9-49.8-179.1173.9-98.1000112.7M1110 K1111 Q1151 I1153Y1107-M1110 PolarHBondContact O-N 2.97Å; Y1107-K1111 HydrophobicContact CE1-CD 4.39Å; Y1107-K1111 WeakPolarHBondContact O-CB 3.31Å; Y1107-K1111 PolarHBondContact O-N 3.46Å; Y1107-Q1151 HydrophobicContact CD2-CG 4.33Å; Y1107-Q1151 HydrophobicContact CE2-CB 3.95Å; Y1107-Q1151 HydrophobicContact CE2-CG 4.11Å; Y1107-Q1151 WeakPolarHBondContact CE2-O 3.37Å; Y1107-Q1151 PolarHBondContact OH-O 3.26Å; Y1107-I1153 HydrophobicContact CD2-CD1 3.99Å; Y1107-I1153 HydrophobicContact CD2-CG1 4.46Å; Y1107-I1153 HydrophobicContact CE2-CD1 3.68Å; Y1107-I1153 HydrophobicContact CE2-CG1 3.69Å
1108N79.7Confident82.2Confident111 Ų11146.8 Ų46.859%0.59423%0.228SC*.Hα-helixtrans-65.5-42.2-178.2-71.5-17.3000112.5G1106 K1111 N1112G1106-N1108 PolarHBondContact O-N 2.85Å; N1108-K1111 PolarHBondContact O-N 3.31Å; N1108-N1112 VanDerWaalsContact O-CG 3.23Å; N1108-N1112 PolarHBondContact O-N 3.25Å; N1108-N1112 VanDerWaalsContact O-N 3.09Å; N1108-N1112 PolarHBondContact O-ND2 2.82Å
1109G84.7Confident83Confident3 Ų350 Ų503%0.03124%0.243CC..Hα-helixtrans-65.1-39.7176.700000112.2L1105 G1106 L1113L1105-G1109 WeakPolarHBondContact O-CA 3.45Å; L1105-G1109 PolarHBondContact O-N 3.03Å; G1106-G1109 PolarHBondContact O-N 3.45Å; G1109-L1113 WeakPolarHBondContact O-CB 3.45Å; G1109-L1113 PolarHBondContact O-N 3.13Å
1110M82.4Confident83.9Confident13 Ų1348.4 Ų48.46%0.06423%0.232CC..Hα-helixtrans-66.5-44.3174.9-172.361.3113.200112.1L1102 G1106 Y1107 N1112 L1113 M1114 I1139 T1143 I1148L1102-M1110 HydrophobicContact CB-CE 4.07Å; L1102-M1110 HydrophobicContact CD1-CE 4.08Å; L1102-M1110 HydrophobicContact CD2-CE 3.86Å; L1102-M1110 HydrophobicContact CD2-SD 4.2Å; L1102-M1110 HydrophobicContact CG-CE 4.2Å; G1106-M1110 WeakPolarHBondContact O-CB 3.33Å; G1106-M1110 PolarHBondContact O-N 3.44Å; Y1107-M1110 PolarHBondContact O-N 2.97Å; M1110-N1112 VanDerWaalsContact C-N 3.32Å; M1110-N1112 PolarHBondContact O-N 2.93Å; M1110-L1113 PolarHBondContact O-N 3Å; M1110-L1113 HydrophobicContact SD-CD2 4.34Å; M1110-M1114 HydrophobicContact CG-CG 4.34Å; M1110-M1114 WeakPolarHBondContact O-CG 3.44Å; M1110-M1114 PolarHBondContact O-N 3.01Å; M1110-M1114 HydrophobicContact SD-CG 4.22Å; M1110-M1114 HydrophobicContact SD-SD 4.41Å; M1110-I1139 HydrophobicContact CE-CG2 3.92Å; M1110-I1139 HydrophobicContact SD-CG2 4.42Å; M1110-T1143 HydrophobicContact CE-CG2 4.08Å; M1110-I1148 HydrophobicContact CE-CD1 3.86Å; M1110-I1148 HydrophobicContact CG-CD1 4.39Å
1111K82.1Confident84.4Confident83 Ų8344 Ų4436%0.36121%0.209SC..Hα-helixtrans-56.2-45.7176.2-179168.4-177.3169.60111.8Y1107 N1108 M1114 K1115 I1153Y1107-K1111 HydrophobicContact CE1-CD 4.39Å; Y1107-K1111 WeakPolarHBondContact O-CB 3.31Å; Y1107-K1111 PolarHBondContact O-N 3.46Å; N1108-K1111 PolarHBondContact O-N 3.31Å; K1111-M1114 PolarHBondContact O-N 3.15Å; K1111-K1115 PolarHBondContact O-N 2.86Å; K1111-I1153 HydrophobicContact CB-CD1 4.4Å; K1111-I1153 HydrophobicContact CB-CG1 4.13Å; K1111-I1153 HydrophobicContact CB-CG2 4.41Å; K1111-I1153 HydrophobicContact CD-CG1 4.42Å; K1111-I1153 HydrophobicContact CG-CG1 4.26Å; K1111-I1153 HydrophobicContact CG-CG2 4.26Å
1112N86.7Confident84.5Confident47 Ų4747.1 Ų47.125%0.25123%0.226SC..Hα-helixtrans-70.1-40179.8-64-15.9000112C1063 T1064 N1108 M1110 K1115 V1116C1063-N1112 HydrophobicContact CB-CB 4.05Å; T1064-N1112 VanDerWaalsContact CG2-ND2 3.26Å; T1064-N1112 WeakPolarHBondContact CG2-ND2 3.45Å; N1108-N1112 VanDerWaalsContact O-CG 3.23Å; N1108-N1112 PolarHBondContact O-N 3.25Å; N1108-N1112 VanDerWaalsContact O-N 3.09Å; N1108-N1112 PolarHBondContact O-ND2 2.82Å; M1110-N1112 VanDerWaalsContact C-N 3.32Å; M1110-N1112 PolarHBondContact O-N 2.93Å; N1112-K1115 PolarHBondContact O-N 2.84Å; N1112-V1116 WeakPolarHBondContact O-CG2 3.45Å; N1112-V1116 PolarHBondContact O-N 3.48Å
1113L89.4Confident84.9Confident0 Ų047 Ų470%023%0.226CC..Hα-helixtrans-59.5-45.7172.7177.459.8000111.6I1059 L1084 I1088 L1102 L1105 G1109 M1110 V1116 V1117 I1135 I1139I1059-L1113 HydrophobicContact CG2-CB 4.47Å; I1059-L1113 HydrophobicContact CG2-CD1 4.29Å; I1059-L1113 HydrophobicContact CG2-CD2 4.46Å; L1084-L1113 HydrophobicContact CD1-CD1 4.42Å; L1084-L1113 HydrophobicContact CD2-CD1 4.24Å; I1088-L1113 HydrophobicContact CD1-CD1 3.86Å; I1088-L1113 HydrophobicContact CD1-CD2 3.89Å; L1102-L1113 HydrophobicContact CD2-CD2 4.06Å; L1105-L1113 HydrophobicContact CD1-CD2 3.91Å; G1109-L1113 WeakPolarHBondContact O-CB 3.45Å; G1109-L1113 PolarHBondContact O-N 3.13Å; M1110-L1113 PolarHBondContact O-N 3Å; M1110-L1113 HydrophobicContact SD-CD2 4.34Å; L1113-V1116 PolarHBondContact O-N 3.45Å; L1113-V1117 HydrophobicContact CD1-CG2 4.13Å; L1113-V1117 HydrophobicContact CG-CG2 4.41Å; L1113-V1117 VanDerWaalsContact O-CG2 3.26Å; L1113-V1117 WeakPolarHBondContact O-CG2 3.24Å; L1113-V1117 PolarHBondContact O-N 3.18Å; L1113-I1135 HydrophobicContact CD1-CG2 4.41Å; L1113-I1139 HydrophobicContact CD2-CD1 3.81Å; L1113-I1139 HydrophobicContact CG-CD1 4.09Å
1114M85Confident85.3Confident7 Ų748.3 Ų48.33%0.03423%0.231CC..Hα-helixtrans-67-36.5179.5-67.8-50.5-61.600113.2M1110 K1111 V1116 V1117 D1118 L1136 I1139 I1153 F1154M1110-M1114 HydrophobicContact CG-CG 4.34Å; M1110-M1114 WeakPolarHBondContact O-CG 3.44Å; M1110-M1114 PolarHBondContact O-N 3.01Å; M1110-M1114 HydrophobicContact SD-CG 4.22Å; M1110-M1114 HydrophobicContact SD-SD 4.41Å; K1111-M1114 PolarHBondContact O-N 3.15Å; M1114-V1116 VanDerWaalsContact C-N 3.35Å; M1114-V1116 PolarHBondContact O-N 2.85Å; M1114-V1117 PolarHBondContact O-N 3.4Å; M1114-D1118 PolarHBondContact O-N 3.21Å; M1114-L1136 HydrophobicContact CE-CD1 3.82Å; M1114-I1139 HydrophobicContact SD-CD1 3.66Å; M1114-I1139 HydrophobicContact SD-CG2 4.03Å; M1114-I1153 HydrophobicContact CB-CG2 4.24Å; M1114-F1154 HydrophobicContact CB-CE1 4.46Å; M1114-F1154 HydrophobicContact CB-CE2 4.41Å; M1114-F1154 HydrophobicContact CB-CZ 3.8Å; M1114-F1154 HydrophobicContact CE-CE2 4.21Å; M1114-F1154 HydrophobicContact CE-CZ 3.7Å; M1114-F1154 HydrophobicContact CG-CZ 4.34Å
1115K87.1Confident85.3Confident81 Ų8143.4 Ų43.435%0.35222%0.216SC..Hα-helixtrans-53.9-51.2169.9-180-157.3170.3-1620110.6D1068 K1111 N1112 Q1119D1068-K1115 IonicContact OD1-NZ 3.86Å; D1068-K1115 PolarHBondContact OD1-NZ 2.97Å; D1068-K1115 IonicContact OD2-NZ 2.7Å; D1068-K1115 PolarHBondContact OD2-NZ 2.85Å; K1111-K1115 PolarHBondContact O-N 2.86Å; N1112-K1115 PolarHBondContact O-N 2.84Å; K1115-Q1119 WeakPolarHBondContact O-CG 3.38Å; K1115-Q1119 PolarHBondContact O-N 3.3Å
1116V90Very high85.3Confident0 Ų046.6 Ų46.60%024%0.24CC..Hα-helixtrans-66.8-39.3-179.8176.50000111.7C1063 W1067 L1084 N1112 L1113 M1114 Q1119 L1120C1063-V1116 HydrophobicContact CB-CG2 4Å; W1067-V1116 HydrophobicContact CB-CG2 3.94Å; W1067-V1116 HydrophobicContact CD2-CB 4.47Å; W1067-V1116 HydrophobicContact CD2-CG1 3.74Å; W1067-V1116 HydrophobicContact CD2-CG2 4.09Å; W1067-V1116 HydrophobicContact CE3-CG1 3.85Å; W1067-V1116 HydrophobicContact CG-CB 4.5Å; W1067-V1116 HydrophobicContact CG-CG1 4.18Å; W1067-V1116 HydrophobicContact CG-CG2 3.63Å; W1067-V1116 HydrophobicContact CH2-CG1 4.45Å; W1067-V1116 HydrophobicContact CZ2-CG1 4.37Å; W1067-V1116 HydrophobicContact CZ3-CG1 4.19Å; L1084-V1116 HydrophobicContact CD1-CG1 3.72Å; N1112-V1116 WeakPolarHBondContact O-CG2 3.45Å; N1112-V1116 PolarHBondContact O-N 3.48Å; L1113-V1116 PolarHBondContact O-N 3.45Å; M1114-V1116 VanDerWaalsContact C-N 3.35Å; M1114-V1116 PolarHBondContact O-N 2.85Å; V1116-Q1119 PolarHBondContact O-N 3.48Å; V1116-L1120 HydrophobicContact CG1-CD1 3.93Å; V1116-L1120 HydrophobicContact CG1-CG 4.11Å; V1116-L1120 WeakPolarHBondContact O-CB 3.38Å; V1116-L1120 VanDerWaalsContact O-CG 3.24Å; V1116-L1120 WeakPolarHBondContact O-CG 3.34Å; V1116-L1120 PolarHBondContact O-N 3.03Å
1117V88.7Confident85.5Confident0 Ų047.1 Ų47.10%024%0.238CC..Hα-helixtrans-63.1-43.2179.1167.60000112.4L1113 M1114 L1120 I1121 I1135 L1136 I1139L1113-V1117 HydrophobicContact CD1-CG2 4.13Å; L1113-V1117 HydrophobicContact CG-CG2 4.41Å; L1113-V1117 VanDerWaalsContact O-CG2 3.26Å; L1113-V1117 WeakPolarHBondContact O-CG2 3.24Å; L1113-V1117 PolarHBondContact O-N 3.18Å; M1114-V1117 PolarHBondContact O-N 3.4Å; V1117-L1120 PolarHBondContact O-N 3.43Å; V1117-I1121 HydrophobicContact CG1-CD1 3.86Å; V1117-I1121 VanDerWaalsContact O-CG1 3.27Å; V1117-I1121 WeakPolarHBondContact O-CG1 3.44Å; V1117-I1121 PolarHBondContact O-N 3.15Å; V1117-I1135 HydrophobicContact CG2-CB 4.02Å; V1117-I1135 HydrophobicContact CG2-CG2 3.41Å; V1117-I1135 VanDerWaalsContact CG2-CG2 3.41Å; V1117-L1136 HydrophobicContact CG1-CB 3.86Å; V1117-L1136 HydrophobicContact CG1-CD1 4.43Å; V1117-I1139 HydrophobicContact CG2-CD1 4.46Å
1118D85.8Confident86.2Confident31 Ų3142.6 Ų42.617%0.16622%0.22CC..Hα-helixtrans-59.8-48.2173.2179.977.2000111.2M1114 L1120 I1121 N1122 L1161M1114-D1118 PolarHBondContact O-N 3.21Å; D1118-L1120 VanDerWaalsContact C-N 3.3Å; D1118-L1120 PolarHBondContact O-N 3.02Å; D1118-I1121 PolarHBondContact O-N 3.12Å; D1118-I1121 VanDerWaalsContact O-N 3.12Å; D1118-N1122 WeakPolarHBondContact O-CB 3.49Å; D1118-N1122 VanDerWaalsContact O-CG 3.27Å; D1118-N1122 PolarHBondContact O-N 2.83Å; D1118-N1122 PolarHBondContact O-ND2 2.83Å; D1118-N1122 VanDerWaalsContact O-ND2 3.11Å; D1118-N1122 PolarHBondContact OD1-ND2 2.96Å; D1118-N1122 PolarHBondContact OD2-ND2 3.28Å; D1118-L1161 HydrophobicContact CB-CD1 4.07Å
1119Q88.7Confident86.7Confident68 Ų6841.2 Ų41.232%0.31821%0.207SC..Hα-helixtrans-65.7-29.6179.1-64.3178.5-57.300113.2W1067 K1115 V1116 D1123W1067-Q1119 HydrophobicContact CZ2-CB 3.72Å; K1115-Q1119 WeakPolarHBondContact O-CG 3.38Å; K1115-Q1119 PolarHBondContact O-N 3.3Å; V1116-Q1119 PolarHBondContact O-N 3.48Å; Q1119-D1123 PolarHBondContact O-N 3.37Å
1120L89.9Confident86.8Confident0 Ų045.5 Ų45.50%023%0.229CC..Hα-helixtrans-68.9-44.5170.2-73.2169.6000111.6W1067 L1084 V1116 V1117 D1118 N1122 D1123 T1128 R1129 I1135W1067-L1120 HydrophobicContact CH2-CD2 3.56Å; W1067-L1120 HydrophobicContact CH2-CG 3.92Å; W1067-L1120 HydrophobicContact CZ3-CD2 3.72Å; W1067-L1120 HydrophobicContact CZ3-CG 4.28Å; L1084-L1120 HydrophobicContact CD1-CD1 4.26Å; V1116-L1120 HydrophobicContact CG1-CD1 3.93Å; V1116-L1120 HydrophobicContact CG1-CG 4.11Å; V1116-L1120 WeakPolarHBondContact O-CB 3.38Å; V1116-L1120 VanDerWaalsContact O-CG 3.24Å; V1116-L1120 WeakPolarHBondContact O-CG 3.34Å; V1116-L1120 PolarHBondContact O-N 3.03Å; V1117-L1120 PolarHBondContact O-N 3.43Å; D1118-L1120 VanDerWaalsContact C-N 3.3Å; D1118-L1120 PolarHBondContact O-N 3.02Å; L1120-N1122 VanDerWaalsContact C-N 3.28Å; L1120-N1122 PolarHBondContact O-N 3.09Å; L1120-D1123 VanDerWaalsContact O-CB 3.28Å; L1120-D1123 WeakPolarHBondContact O-CB 3.32Å; L1120-D1123 PolarHBondContact O-N 2.99Å; L1120-T1128 HydrophobicContact CD2-CG2 3.28Å; L1120-T1128 CarbonylContact O-C 3.41Å; L1120-R1129 VanDerWaalsContact O-CA 3.24Å; L1120-R1129 WeakPolarHBondContact O-CA 3.39Å; L1120-R1129 PolarHBondContact O-N 2.84Å; L1120-I1135 HydrophobicContact CD1-CD1 3.85Å
1121I87.6Confident87.1Confident8 Ų847.4 Ų47.44%0.04124%0.235CC..Hα-helixtrans-63.2-36.2178.5-71165.7000111.3V1117 D1118 R1129 G1132 R1133 L1136 L1161V1117-I1121 HydrophobicContact CG1-CD1 3.86Å; V1117-I1121 VanDerWaalsContact O-CG1 3.27Å; V1117-I1121 WeakPolarHBondContact O-CG1 3.44Å; V1117-I1121 PolarHBondContact O-N 3.15Å; D1118-I1121 PolarHBondContact O-N 3.12Å; D1118-I1121 VanDerWaalsContact O-N 3.12Å; I1121-R1129 WeakPolarHBondContact O-CD 3.4Å; I1121-R1129 WeakPolarHBondContact O-CG 3.41Å; I1121-G1132 VanDerWaalsContact CG1-C 3.47Å; I1121-R1133 HydrophobicContact CG1-CG 4.26Å; I1121-L1136 HydrophobicContact CD1-CB 4.03Å; I1121-L1136 HydrophobicContact CD1-CD2 3.68Å; I1121-L1136 HydrophobicContact CD1-CG 4.41Å; I1121-L1161 HydrophobicContact CD1-CD2 4.34Å
1122N85.6Confident87.4Confident72 Ų7243.5 Ų43.539%0.38522%0.218SC..THydrogen-bonded Turntrans-90.85.8-178-59.2-32.8000113D1118 L1120 T1160D1118-N1122 WeakPolarHBondContact O-CB 3.49Å; D1118-N1122 VanDerWaalsContact O-CG 3.27Å; D1118-N1122 PolarHBondContact O-N 2.83Å; D1118-N1122 PolarHBondContact O-ND2 2.83Å; D1118-N1122 VanDerWaalsContact O-ND2 3.11Å; D1118-N1122 PolarHBondContact OD1-ND2 2.96Å; D1118-N1122 PolarHBondContact OD2-ND2 3.28Å; L1120-N1122 VanDerWaalsContact C-N 3.28Å; L1120-N1122 PolarHBondContact O-N 3.09Å; N1122-T1160 PolarHBondContact ND2-OG1 3.39Å; N1122-T1160 WeakPolarHBondContact OD1-CB 3.36Å; N1122-T1160 WeakPolarHBondContact OD1-CG2 3.45Å; N1122-T1160 PolarHBondContact OD1-OG1 3.4Å
1123D88.7Confident87.4Confident11 Ų1147.5 Ų47.56%0.05923%0.23CC..  trans-65.7148-178.5-162.9-51.9000112.8R1077 Q1119 L1120 V1125 T1128 R1129R1077-D1123 IonicContact CZ-OD1 2.81Å; R1077-D1123 IonicContact CZ-OD2 2.93Å; R1077-D1123 VanDerWaalsContact CZ-OD2 3.32Å; R1077-D1123 IonicContact NE-OD1 3.16Å; R1077-D1123 IonicContact NE-OD2 3.58Å; R1077-D1123 PolarHBondContact NE-OD2 2.95Å; R1077-D1123 VanDerWaalsContact NH2-CG 3.32Å; R1077-D1123 IonicContact NH2-OD1 3.83Å; R1077-D1123 PolarHBondContact NH2-OD1 3.06Å; R1077-D1123 IonicContact NH2-OD2 3.45Å; R1077-D1123 PolarHBondContact NH2-OD2 3.22Å; R1077-D1123 VanDerWaalsContact NH2-OD2 3.07Å; Q1119-D1123 PolarHBondContact O-N 3.37Å; L1120-D1123 VanDerWaalsContact O-CB 3.28Å; L1120-D1123 WeakPolarHBondContact O-CB 3.32Å; L1120-D1123 PolarHBondContact O-N 2.99Å; D1123-V1125 VanDerWaalsContact C-N 3.26Å; D1123-V1125 PolarHBondContact O-N 3.34Å; D1123-V1125 PolarHBondContact OD1-N 2.8Å; D1123-T1128 HydrophobicContact CB-CG2 3.93Å; D1123-T1128 WeakPolarHBondContact OD2-CG2 3.11Å; D1123-R1129 HydrophobicContact CB-CG 4.27Å; D1123-R1129 WeakPolarHBondContact O-CD 3.38Å; D1123-R1129 WeakPolarHBondContact O-CG 3.48Å; D1123-R1129 PolarHBondContact O-NH1 2.85Å
1124K86.1Confident87.2Confident193 Ų19351.9 Ų51.984%0.83925%0.249SC*.SBendtrans-62.6-29.7172.4-62.2-175.8179.2-176.80112.8R1129K1124-R1129 PolarHBondContact O-NH1 3.43Å
1125V86Confident87.3Confident35 Ų3551.5 Ų51.521%0.21225%0.247CC..SBendtrans-86.8122.2-176.9-179.40000111.8N1074 D1123 S1127 T1128 R1129N1074-V1125 HydrophobicContact CB-CG2 3.96Å; D1123-V1125 VanDerWaalsContact C-N 3.26Å; D1123-V1125 PolarHBondContact O-N 3.34Å; D1123-V1125 PolarHBondContact OD1-N 2.8Å; V1125-S1127 PolarHBondContact O-N 3.24Å; V1125-T1128 WeakPolarHBondContact O-CB 3.48Å; V1125-T1128 PolarHBondContact O-N 3.43Å; V1125-T1128 VanDerWaalsContact O-N 3.1Å; V1125-R1129 PolarHBondContact O-N 3.47Å
1126S83Confident87.2Confident83 Ų8348.5 Ų48.558%0.5824%0.235SC*.Hα-helixtrans-62.1-38.1-173.5540000114.7R1129 L1130S1126-R1129 PolarHBondContact O-N 3.41Å; S1126-L1130 PolarHBondContact O-N 3.49Å
1127S84.7Confident86.8Confident48 Ų4852.9 Ų52.934%0.33626%0.255SS..Hα-helixtrans-71.2-31.1175.141.10000112.6N1078 V1125 L1130 Y1131N1078-S1127 PolarHBondContact ND2-OG 3.41Å; V1125-S1127 PolarHBondContact O-N 3.24Å; S1127-L1130 WeakPolarHBondContact O-CB 3.29Å; S1127-L1130 PolarHBondContact O-N 3.17Å; S1127-Y1131 WeakPolarHBondContact O-CD2 3.26Å; S1127-Y1131 PolarHBondContact O-N 3.44Å; S1127-Y1131 VanDerWaalsContact O-N 3.15Å
1128T88.5Confident86.4Confident0 Ų055 Ų550%027%0.265CS..Hα-helixtrans-67.5-41.2171.9-490000111.2R1077 N1078 L1120 D1123 V1125 L1130 Y1131 G1132R1077-T1128 HydrophobicContact CB-CG2 4.47Å; N1078-T1128 WeakPolarHBondContact CA-OG1 3.46Å; N1078-T1128 WeakPolarHBondContact CB-OG1 3.44Å; N1078-T1128 PolarHBondContact ND2-N 3.26Å; N1078-T1128 PolarHBondContact ND2-OG1 3.22Å; L1120-T1128 HydrophobicContact CD2-CG2 3.28Å; L1120-T1128 CarbonylContact O-C 3.41Å; D1123-T1128 HydrophobicContact CB-CG2 3.93Å; D1123-T1128 WeakPolarHBondContact OD2-CG2 3.11Å; V1125-T1128 WeakPolarHBondContact O-CB 3.48Å; V1125-T1128 PolarHBondContact O-N 3.43Å; V1125-T1128 VanDerWaalsContact O-N 3.1Å; T1128-L1130 VanDerWaalsContact C-N 3.31Å; T1128-L1130 PolarHBondContact O-N 2.99Å; T1128-Y1131 PolarHBondContact O-N 3.41Å; T1128-G1132 PolarHBondContact O-N 2.87Å
1129R89.3Confident86.2Confident83 Ų8353.6 Ų53.631%0.31326%0.258SS..Hα-helixtrans-58.9-38.5170.2-61.4-162-69.2-82.36.9113.3L1120 I1121 D1123 K1124 V1125 S1126 G1132 R1133L1120-R1129 VanDerWaalsContact O-CA 3.24Å; L1120-R1129 WeakPolarHBondContact O-CA 3.39Å; L1120-R1129 PolarHBondContact O-N 2.84Å; I1121-R1129 WeakPolarHBondContact O-CD 3.4Å; I1121-R1129 WeakPolarHBondContact O-CG 3.41Å; D1123-R1129 HydrophobicContact CB-CG 4.27Å; D1123-R1129 WeakPolarHBondContact O-CD 3.38Å; D1123-R1129 WeakPolarHBondContact O-CG 3.48Å; D1123-R1129 PolarHBondContact O-NH1 2.85Å; K1124-R1129 PolarHBondContact O-NH1 3.43Å; V1125-R1129 PolarHBondContact O-N 3.47Å; S1126-R1129 PolarHBondContact O-N 3.41Å; R1129-G1132 PolarHBondContact O-N 2.96Å; R1129-R1133 WeakPolarHBondContact O-CG 3.35Å; R1129-R1133 PolarHBondContact O-N 3.18Å
1130L87Confident85.6Confident93 Ų9352.2 Ų52.249%0.48725%0.254SS..Hα-helixtrans-64.1-39.4176.8-177.263.9000112S1126 S1127 T1128 K1134S1126-L1130 PolarHBondContact O-N 3.49Å; S1127-L1130 WeakPolarHBondContact O-CB 3.29Å; S1127-L1130 PolarHBondContact O-N 3.17Å; T1128-L1130 VanDerWaalsContact C-N 3.31Å; T1128-L1130 PolarHBondContact O-N 2.99Å; L1130-K1134 WeakPolarHBondContact O-CG 3.36Å; L1130-K1134 PolarHBondContact O-N 3.42Å; L1130-K1134 VanDerWaalsContact O-N 3.15Å
1131Y89.9Confident84.7Confident53 Ų5354 Ų5421%0.20826%0.263CS..Hα-helixtrans-66.9-45173.8-65.6-55.2000112G1081 Q1082 S1127 T1128 R1133 K1134 I1135G1081-Y1131 WeakPolarHBondContact O-CB 3.42Å; Q1082-Y1131 HydrophobicContact CB-CD2 4.31Å; Q1082-Y1131 HydrophobicContact CB-CE1 4.15Å; Q1082-Y1131 HydrophobicContact CB-CE2 3.78Å; Q1082-Y1131 HydrophobicContact CG-CE1 4.24Å; Q1082-Y1131 HydrophobicContact CG-CE2 4.46Å; S1127-Y1131 WeakPolarHBondContact O-CD2 3.26Å; S1127-Y1131 PolarHBondContact O-N 3.44Å; S1127-Y1131 VanDerWaalsContact O-N 3.15Å; T1128-Y1131 PolarHBondContact O-N 3.41Å; Y1131-R1133 VanDerWaalsContact C-N 3.34Å; Y1131-R1133 PolarHBondContact O-N 3.3Å; Y1131-K1134 PolarHBondContact O-N 3.13Å; Y1131-I1135 WeakPolarHBondContact O-CD1 3.31Å; Y1131-I1135 VanDerWaalsContact O-CG1 3.25Å; Y1131-I1135 WeakPolarHBondContact O-CG1 3.35Å; Y1131-I1135 PolarHBondContact O-N 3.23Å
1132G88.7Confident83.7Confident0 Ų055 Ų550%027%0.269CS..Hα-helixtrans-55.4-46.9176.500000112.7I1121 T1128 R1129 I1135 L1136I1121-G1132 VanDerWaalsContact CG1-C 3.47Å; T1128-G1132 PolarHBondContact O-N 2.87Å; R1129-G1132 PolarHBondContact O-N 2.96Å; G1132-I1135 PolarHBondContact O-N 3.02Å; G1132-L1136 PolarHBondContact O-N 3.49Å
1133R85.9Confident82.6Confident131 Ų13153.2 Ų53.249%0.49426%0.261SS..Hα-helixtrans-60.6-47.9176.1-70.9176.1-177.2-162.3-2.7112.4I1121 R1129 Y1131 I1135 L1136 E1137I1121-R1133 HydrophobicContact CG1-CG 4.26Å; R1129-R1133 WeakPolarHBondContact O-CG 3.35Å; R1129-R1133 PolarHBondContact O-N 3.18Å; Y1131-R1133 VanDerWaalsContact C-N 3.34Å; Y1131-R1133 PolarHBondContact O-N 3.3Å; R1133-I1135 VanDerWaalsContact C-N 3.33Å; R1133-I1135 PolarHBondContact O-N 2.9Å; R1133-L1136 WeakPolarHBondContact O-CB 3.13Å; R1133-L1136 PolarHBondContact O-N 3.38Å; R1133-E1137 WeakPolarHBondContact O-CB 3.34Å; R1133-E1137 VanDerWaalsContact O-CG 3.24Å; R1133-E1137 WeakPolarHBondContact O-CG 3.46Å; R1133-E1137 PolarHBondContact O-N 3.08Å
1134K86.2Confident81.2Confident92 Ų9253.8 Ų53.840%0.426%0.264SS..Hα-helixtrans-60.8-37.4177.7-75.9-177.8174-165.30114L1130 Y1131 E1137 Q1138L1130-K1134 WeakPolarHBondContact O-CG 3.36Å; L1130-K1134 PolarHBondContact O-N 3.42Å; L1130-K1134 VanDerWaalsContact O-N 3.15Å; Y1131-K1134 PolarHBondContact O-N 3.13Å; K1134-E1137 WeakPolarHBondContact CA-OE2 3.36Å; K1134-Q1138 WeakPolarHBondContact O-CG 3.49Å; K1134-Q1138 PolarHBondContact O-N 3.18Å
1135I86.8Confident79.5Confident0 Ų047 Ų470%024%0.236CC..Hα-helixtrans-69.8-44.5177-62.9156.6000109.7L1084 I1088 L1113 V1117 L1120 Y1131 G1132 R1133 Q1138 I1139L1084-I1135 HydrophobicContact CB-CD1 3.54Å; L1084-I1135 HydrophobicContact CB-CG1 4.39Å; I1088-I1135 HydrophobicContact CD1-CG2 3.66Å; I1088-I1135 HydrophobicContact CG2-CG2 4.5Å; L1113-I1135 HydrophobicContact CD1-CG2 4.41Å; V1117-I1135 HydrophobicContact CG2-CB 4.02Å; V1117-I1135 HydrophobicContact CG2-CG2 3.41Å; V1117-I1135 VanDerWaalsContact CG2-CG2 3.41Å; L1120-I1135 HydrophobicContact CD1-CD1 3.85Å; Y1131-I1135 WeakPolarHBondContact O-CD1 3.31Å; Y1131-I1135 VanDerWaalsContact O-CG1 3.25Å; Y1131-I1135 WeakPolarHBondContact O-CG1 3.35Å; Y1131-I1135 PolarHBondContact O-N 3.23Å; G1132-I1135 PolarHBondContact O-N 3.02Å; R1133-I1135 VanDerWaalsContact C-N 3.33Å; R1133-I1135 PolarHBondContact O-N 2.9Å; I1135-Q1138 PolarHBondContact O-N 3.33Å; I1135-I1139 HydrophobicContact CG2-CD1 3.9Å; I1135-I1139 WeakPolarHBondContact O-CG1 3.19Å; I1135-I1139 PolarHBondContact O-N 3.5Å; I1135-I1139 VanDerWaalsContact O-N 3.1Å
1136L85.2Confident77.7Confident17 Ų1749.3 Ų49.39%0.08925%0.247CC..Hα-helixtrans-57.1-52.3174.4179.767000111.1M1114 V1117 I1121 G1132 R1133 Q1138 I1139 T1140 L1161 L1164M1114-L1136 HydrophobicContact CE-CD1 3.82Å; V1117-L1136 HydrophobicContact CG1-CB 3.86Å; V1117-L1136 HydrophobicContact CG1-CD1 4.43Å; I1121-L1136 HydrophobicContact CD1-CB 4.03Å; I1121-L1136 HydrophobicContact CD1-CD2 3.68Å; I1121-L1136 HydrophobicContact CD1-CG 4.41Å; G1132-L1136 PolarHBondContact O-N 3.49Å; R1133-L1136 WeakPolarHBondContact O-CB 3.13Å; R1133-L1136 PolarHBondContact O-N 3.38Å; L1136-Q1138 PolarHBondContact O-N 3.44Å; L1136-I1139 WeakPolarHBondContact O-CA 3.36Å; L1136-I1139 PolarHBondContact O-N 3.35Å; L1136-T1140 HydrophobicContact CD1-CG2 3.94Å; L1136-T1140 HydrophobicContact CG-CG2 4.05Å; L1136-T1140 WeakPolarHBondContact O-CG2 3.31Å; L1136-T1140 PolarHBondContact O-N 2.79Å; L1136-T1140 PolarHBondContact O-OG1 3.5Å; L1136-L1161 HydrophobicContact CD1-CD2 3.95Å; L1136-L1161 HydrophobicContact CD2-CD2 3.57Å; L1136-L1161 HydrophobicContact CG-CD2 4.43Å; L1136-L1164 HydrophobicContact CD2-CD1 3.76Å
1137E81.7Confident76.4Confident93 Ų9350.3 Ų50.344%0.43524%0.241SC..Hα-helixtrans-52-39.9178.4-72.7156.4-173.700112.5R1133 K1134 T1140 M1141R1133-E1137 WeakPolarHBondContact O-CB 3.34Å; R1133-E1137 VanDerWaalsContact O-CG 3.24Å; R1133-E1137 WeakPolarHBondContact O-CG 3.46Å; R1133-E1137 PolarHBondContact O-N 3.08Å; K1134-E1137 WeakPolarHBondContact CA-OE2 3.36Å; E1137-T1140 PolarHBondContact O-OG1 3.5Å; E1137-T1140 VanDerWaalsContact O-OG1 3.09Å; E1137-M1141 WeakPolarHBondContact O-CG 3.49Å; E1137-M1141 PolarHBondContact O-N 3.31Å
1138Q80.4Confident74.8Confident43 Ų4348.6 Ų48.620%0.20123%0.228CC..Hα-helixtrans-73.4-30.2175.9-71.3-60.6-45.500113.8I1088 C1089 K1134 I1135 L1136 V1142I1088-Q1138 HydrophobicContact CG2-CB 3.76Å; I1088-Q1138 HydrophobicContact CG2-CG 4.49Å; C1089-Q1138 HydrophobicContact CB-CG 4.42Å; K1134-Q1138 WeakPolarHBondContact O-CG 3.49Å; K1134-Q1138 PolarHBondContact O-N 3.18Å; I1135-Q1138 PolarHBondContact O-N 3.33Å; L1136-Q1138 PolarHBondContact O-N 3.44Å; Q1138-V1142 WeakPolarHBondContact O-CG2 3.32Å
1139I80.5Confident72.8Confident3 Ų352 Ų522%0.01524%0.241CC..Hα-helixtrans-73.9-42.3174.8-65.8168.1000110.4L1102 M1110 L1113 M1114 V1117 I1135 L1136 M1141 V1142 T1143 I1148L1102-I1139 HydrophobicContact CD1-CG1 4.41Å; L1102-I1139 HydrophobicContact CD2-CG1 4.45Å; M1110-I1139 HydrophobicContact CE-CG2 3.92Å; M1110-I1139 HydrophobicContact SD-CG2 4.42Å; L1113-I1139 HydrophobicContact CD2-CD1 3.81Å; L1113-I1139 HydrophobicContact CG-CD1 4.09Å; M1114-I1139 HydrophobicContact SD-CD1 3.66Å; M1114-I1139 HydrophobicContact SD-CG2 4.03Å; V1117-I1139 HydrophobicContact CG2-CD1 4.46Å; I1135-I1139 HydrophobicContact CG2-CD1 3.9Å; I1135-I1139 WeakPolarHBondContact O-CG1 3.19Å; I1135-I1139 PolarHBondContact O-N 3.5Å; I1135-I1139 VanDerWaalsContact O-N 3.1Å; L1136-I1139 WeakPolarHBondContact O-CA 3.36Å; L1136-I1139 PolarHBondContact O-N 3.35Å; I1139-M1141 VanDerWaalsContact C-N 3.31Å; I1139-M1141 PolarHBondContact O-N 2.96Å; I1139-V1142 PolarHBondContact O-N 3.27Å; I1139-V1142 VanDerWaalsContact O-N 3.1Å; I1139-T1143 WeakPolarHBondContact CG2-OG1 3.5Å; I1139-T1143 PolarHBondContact O-N 3.17Å; I1139-T1143 PolarHBondContact O-OG1 3.44Å; I1139-I1148 HydrophobicContact CG2-CD1 4.29Å
1140T76Confident70.9Confident38 Ų3856.5 Ų56.523%0.23326%0.263CS..Hα-helixtrans-67.4-29178.764.90000112.8I609 L1136 E1137 V1142 I1145I609-T1140 WeakPolarHBondContact CD1-O 3.37Å; L1136-T1140 HydrophobicContact CD1-CG2 3.94Å; L1136-T1140 HydrophobicContact CG-CG2 4.05Å; L1136-T1140 WeakPolarHBondContact O-CG2 3.31Å; L1136-T1140 PolarHBondContact O-N 2.79Å; L1136-T1140 PolarHBondContact O-OG1 3.5Å; E1137-T1140 PolarHBondContact O-OG1 3.5Å; E1137-T1140 VanDerWaalsContact O-OG1 3.09Å; T1140-V1142 PolarHBondContact O-N 2.87Å; T1140-I1145 HydrophobicContact CG2-CD1 3.41Å; T1140-I1145 VanDerWaalsContact CG2-CD1 3.41Å; T1140-I1145 HydrophobicContact CG2-CG1 3.69Å
1141M71.5Confident69.2Low38 Ų3856.7 Ų56.719%0.18726%0.262CS..THydrogen-bonded Turntrans-68-15.5171.6-81-156.7-163.700114.9T613 R1095 E1137 I1139T613-M1141 HydrophobicContact CG2-CE 3.76Å; T613-M1141 HydrophobicContact CG2-SD 4.41Å; R1095-M1141 PolarHBondContact NH2-SD 3.13Å; E1137-M1141 WeakPolarHBondContact O-CG 3.49Å; E1137-M1141 PolarHBondContact O-N 3.31Å; I1139-M1141 VanDerWaalsContact C-N 3.31Å; I1139-M1141 PolarHBondContact O-N 2.96Å
1142V67Low67.3Low29 Ų2960.5 Ų60.518%0.17629%0.286CS..THydrogen-bonded Turntrans-123.2-20.1-166.6177.20000112.8R1095 N1098 S1099 L1102 Q1138 I1139 T1140R1095-V1142 HydrophobicContact CB-CG2 4.47Å; R1095-V1142 HydrophobicContact CG-CG2 4.45Å; N1098-V1142 HydrophobicContact CB-CG1 4.49Å; N1098-V1142 HydrophobicContact CB-CG2 4.01Å; S1099-V1142 VanDerWaalsContact CA-CG1 3.45Å; L1102-V1142 HydrophobicContact CD1-CB 4.1Å; L1102-V1142 HydrophobicContact CD1-CG1 3.82Å; Q1138-V1142 WeakPolarHBondContact O-CG2 3.32Å; I1139-V1142 PolarHBondContact O-N 3.27Å; I1139-V1142 VanDerWaalsContact O-N 3.1Å; T1140-V1142 PolarHBondContact O-N 2.87Å
1143T62.3Low65.4Low34 Ų3461.2 Ų61.221%0.20929%0.29CS..SBendtrans-135.713417951.10000110.4L1102 M1110 I1139 I1145 I1148L1102-T1143 HydrophobicContact CD1-CG2 4.45Å; M1110-T1143 HydrophobicContact CE-CG2 4.08Å; I1139-T1143 WeakPolarHBondContact CG2-OG1 3.5Å; I1139-T1143 PolarHBondContact O-N 3.17Å; I1139-T1143 PolarHBondContact O-OG1 3.44Å; T1143-I1145 PolarHBondContact O-N 3.01Å; T1143-I1148 WeakPolarHBondContact OG1-CD1 3.46Å
1144D58.2Low63.5Low23 Ų2356.9 Ų56.912%0.12327%0.274CS..  trans-58114.9164.8-69.1-70.8000108.3S608 N1146 K1147S608-D1144 PolarHBondContact OG-OD1 3.03Å; D1144-N1146 PolarHBondContact O-N 2.93Å; D1144-N1146 VanDerWaalsContact O-N 3.08Å; D1144-K1147 HydrophobicContact CB-CB 4.25Å; D1144-K1147 HydrophobicContact CB-CD 3.96Å; D1144-K1147 HydrophobicContact CB-CG 3.96Å; D1144-K1147 WeakPolarHBondContact O-CB 3.39Å; D1144-K1147 PolarHBondContact O-N 3.29Å; D1144-K1147 WeakPolarHBondContact OD2-CE 3.34Å; D1144-K1147 IonicContact OD2-NZ 3.51Å; D1144-K1147 PolarHBondContact OD2-NZ 3.16Å
1145I51.5Low61.5Low52 Ų5258.1 Ų58.127%0.26729%0.29SS..Hα-helixtrans-50.2-38.1174.9-56.8171.4000109.9T1140 T1143 K1147 I1148 Y1149 T1165T1140-I1145 HydrophobicContact CG2-CD1 3.41Å; T1140-I1145 VanDerWaalsContact CG2-CD1 3.41Å; T1140-I1145 HydrophobicContact CG2-CG1 3.69Å; T1143-I1145 PolarHBondContact O-N 3.01Å; I1145-K1147 VanDerWaalsContact C-N 3.29Å; I1145-K1147 PolarHBondContact O-N 3.39Å; I1145-I1148 WeakPolarHBondContact O-CB 3.38Å; I1145-I1148 PolarHBondContact O-N 3.3Å; I1145-Y1149 HydrophobicContact CG2-CD2 3.47Å; I1145-Y1149 VanDerWaalsContact CG2-CD2 3.47Å; I1145-Y1149 HydrophobicContact CG2-CE2 3.56Å; I1145-Y1149 WeakPolarHBondContact O-CD2 3.31Å; I1145-Y1149 PolarHBondContact O-N 3.44Å; I1145-T1165 HydrophobicContact CD1-CG2 4.42Å
1146N47.8Very low59.4Low83 Ų8365.6 Ų65.644%0.44433%0.325SS..Hα-helixtrans-61.1-28.8177.4-62.4-50.2000114.4S608 D1144 K1150S608-N1146 WeakPolarHBondContact CB-ND2 3.48Å; S608-N1146 PolarHBondContact OG-ND2 3.44Å; D1144-N1146 PolarHBondContact O-N 2.93Å; D1144-N1146 VanDerWaalsContact O-N 3.08Å; N1146-K1150 VanDerWaalsContact O-CB 3.27Å; N1146-K1150 WeakPolarHBondContact O-CB 3.11Å; N1146-K1150 WeakPolarHBondContact O-CG 3.46Å; N1146-K1150 PolarHBondContact O-N 3.47Å
1147K55.7Low57.3Low104 Ų10471.7 Ų71.745%0.45236%0.357SS..Hα-helixtrans-76.7-26.6175.4-70.7173.2-178.3144.70111.7D606 D1144 I1145D606-K1147 IonicContact OD2-NZ 2.65Å; D1144-K1147 HydrophobicContact CB-CB 4.25Å; D1144-K1147 HydrophobicContact CB-CD 3.96Å; D1144-K1147 HydrophobicContact CB-CG 3.96Å; D1144-K1147 WeakPolarHBondContact O-CB 3.39Å; D1144-K1147 PolarHBondContact O-N 3.29Å; D1144-K1147 WeakPolarHBondContact OD2-CE 3.34Å; D1144-K1147 IonicContact OD2-NZ 3.51Å; D1144-K1147 PolarHBondContact OD2-NZ 3.16Å; I1145-K1147 VanDerWaalsContact C-N 3.29Å; I1145-K1147 PolarHBondContact O-N 3.39Å
1148I50.2Low55.6Low12 Ų1267.7 Ų67.76%0.06234%0.339CS..Hα-helixtrans-80.9-40.1173.7-60.2175.4000111M1110 I1139 T1143 I1145 Q1151 I1153 F1154M1110-I1148 HydrophobicContact CE-CD1 3.86Å; M1110-I1148 HydrophobicContact CG-CD1 4.39Å; I1139-I1148 HydrophobicContact CG2-CD1 4.29Å; T1143-I1148 WeakPolarHBondContact OG1-CD1 3.46Å; I1145-I1148 WeakPolarHBondContact O-CB 3.38Å; I1145-I1148 PolarHBondContact O-N 3.3Å; I1148-Q1151 VanDerWaalsContact O-CB 3.24Å; I1148-Q1151 WeakPolarHBondContact O-CB 3.18Å; I1148-Q1151 PolarHBondContact O-N 3.47Å; I1148-I1153 HydrophobicContact CG2-CB 4.14Å; I1148-I1153 HydrophobicContact CG2-CD1 3.75Å; I1148-I1153 HydrophobicContact CG2-CG2 4.06Å; I1148-F1154 HydrophobicContact CG2-CE2 4.32Å
1149Y47.4Very low53.7Low70 Ų7069 Ų6928%0.27535%0.354SS..Hα-helixtrans-69.6-40176.1-90.9-97000112.9I1145 Q1151 N1152 F1154 L1161I1145-Y1149 HydrophobicContact CG2-CD2 3.47Å; I1145-Y1149 VanDerWaalsContact CG2-CD2 3.47Å; I1145-Y1149 HydrophobicContact CG2-CE2 3.56Å; I1145-Y1149 WeakPolarHBondContact O-CD2 3.31Å; I1145-Y1149 PolarHBondContact O-N 3.44Å; Y1149-Q1151 PolarHBondContact O-N 3.3Å; Y1149-N1152 PolarHBondContact O-N 3.17Å; Y1149-F1154 HydrophobicContact CD1-CB 4.2Å; Y1149-F1154 HydrophobicContact CD1-CD2 4.1Å; Y1149-F1154 AromaticContact CD2-CD2 3.83Å; Y1149-F1154 HydrophobicContact CD2-CD2 3.83Å; Y1149-F1154 HydrophobicContact CD2-CE2 4.13Å; Y1149-F1154 HydrophobicContact CE1-CB 3.71Å; Y1149-F1154 AromaticContact CE1-CD2 3.69Å; Y1149-F1154 HydrophobicContact CE1-CD2 3.69Å; Y1149-F1154 AromaticContact CE1-CG 3.87Å; Y1149-F1154 HydrophobicContact CE1-CG 3.87Å; Y1149-F1154 AromaticContact CE2-CD2 3.43Å; Y1149-F1154 HydrophobicContact CE2-CD2 3.43Å; Y1149-F1154 VanDerWaalsContact CE2-CD2 3.43Å; Y1149-F1154 AromaticContact CE2-CE2 3.56Å; Y1149-F1154 HydrophobicContact CE2-CE2 3.56Å; Y1149-F1154 HydrophobicContact CE2-CG 4.29Å; Y1149-F1154 HydrophobicContact CG-CD2 4.17Å; Y1149-F1154 AromaticContact CZ-CD2 3.34Å; Y1149-F1154 AromaticContact CZ-CE2 3.82Å; Y1149-F1154 AromaticContact CZ-CG 3.75Å; Y1149-L1161 VanDerWaalsContact OH-CB 3.32Å; Y1149-L1161 WeakPolarHBondContact OH-CB 3.4Å
1150K49.5Very low52Low178 Ų17871.3 Ų71.377%0.77437%0.368SS*.THydrogen-bonded Turntrans-60.8-8.7169.7-79177.8176.2-178.70114.1N1146N1146-K1150 VanDerWaalsContact O-CB 3.27Å; N1146-K1150 WeakPolarHBondContact O-CB 3.11Å; N1146-K1150 WeakPolarHBondContact O-CG 3.46Å; N1146-K1150 PolarHBondContact O-N 3.47Å
1151Q51.2Low50.5Low97 Ų9769.9 Ų69.945%0.45336%0.359SS..THydrogen-bonded Turntrans-100.613.3-178.1-103.617713.300113Y1107 I1148 Y1149 I1153Y1107-Q1151 HydrophobicContact CD2-CG 4.33Å; Y1107-Q1151 HydrophobicContact CE2-CB 3.95Å; Y1107-Q1151 HydrophobicContact CE2-CG 4.11Å; Y1107-Q1151 WeakPolarHBondContact CE2-O 3.37Å; Y1107-Q1151 PolarHBondContact OH-O 3.26Å; I1148-Q1151 VanDerWaalsContact O-CB 3.24Å; I1148-Q1151 WeakPolarHBondContact O-CB 3.18Å; I1148-Q1151 PolarHBondContact O-N 3.47Å; Y1149-Q1151 PolarHBondContact O-N 3.3Å; Q1151-I1153 HydrophobicContact CB-CD1 4.15Å; Q1151-I1153 HydrophobicContact CB-CG1 4.39Å; Q1151-I1153 PolarHBondContact O-N 2.95Å; Q1151-I1153 VanDerWaalsContact O-N 3.12Å
1152N49.1Very low49.1Very low133 Ų13373 Ų7371%0.71137%0.371SS*.THydrogen-bonded Turntrans51.732.8178.5-65.4-0.9000113.8Y1149 F1154Y1149-N1152 PolarHBondContact O-N 3.17Å; N1152-F1154 VanDerWaalsContact C-N 3.35Å
1153I50.1Low47.8Very low16 Ų1677.7 Ų77.78%0.08240%0.395CS..  trans-75.1-26.6178.5-78.1168.5000111.8Y1107 K1111 M1114 I1148 Q1151Y1107-I1153 HydrophobicContact CD2-CD1 3.99Å; Y1107-I1153 HydrophobicContact CD2-CG1 4.46Å; Y1107-I1153 HydrophobicContact CE2-CD1 3.68Å; Y1107-I1153 HydrophobicContact CE2-CG1 3.69Å; K1111-I1153 HydrophobicContact CB-CD1 4.4Å; K1111-I1153 HydrophobicContact CB-CG1 4.13Å; K1111-I1153 HydrophobicContact CB-CG2 4.41Å; K1111-I1153 HydrophobicContact CD-CG1 4.42Å; K1111-I1153 HydrophobicContact CG-CG1 4.26Å; K1111-I1153 HydrophobicContact CG-CG2 4.26Å; M1114-I1153 HydrophobicContact CB-CG2 4.24Å; I1148-I1153 HydrophobicContact CG2-CB 4.14Å; I1148-I1153 HydrophobicContact CG2-CD1 3.75Å; I1148-I1153 HydrophobicContact CG2-CG2 4.06Å; Q1151-I1153 HydrophobicContact CB-CD1 4.15Å; Q1151-I1153 HydrophobicContact CB-CG1 4.39Å; Q1151-I1153 PolarHBondContact O-N 2.95Å; Q1151-I1153 VanDerWaalsContact O-N 3.12Å
1154F45Very low46.8Very low39 Ų3980.7 Ų80.717%0.17141%0.41CS..  trans-111116178.2-70.2-75.7000112M1114 I1148 Y1149 N1152 L1161M1114-F1154 HydrophobicContact CB-CE1 4.46Å; M1114-F1154 HydrophobicContact CB-CE2 4.41Å; M1114-F1154 HydrophobicContact CB-CZ 3.8Å; M1114-F1154 HydrophobicContact CE-CE2 4.21Å; M1114-F1154 HydrophobicContact CE-CZ 3.7Å; M1114-F1154 HydrophobicContact CG-CZ 4.34Å; I1148-F1154 HydrophobicContact CG2-CE2 4.32Å; Y1149-F1154 HydrophobicContact CD1-CB 4.2Å; Y1149-F1154 HydrophobicContact CD1-CD2 4.1Å; Y1149-F1154 AromaticContact CD2-CD2 3.83Å; Y1149-F1154 HydrophobicContact CD2-CD2 3.83Å; Y1149-F1154 HydrophobicContact CD2-CE2 4.13Å; Y1149-F1154 HydrophobicContact CE1-CB 3.71Å; Y1149-F1154 AromaticContact CE1-CD2 3.69Å; Y1149-F1154 HydrophobicContact CE1-CD2 3.69Å; Y1149-F1154 AromaticContact CE1-CG 3.87Å; Y1149-F1154 HydrophobicContact CE1-CG 3.87Å; Y1149-F1154 AromaticContact CE2-CD2 3.43Å; Y1149-F1154 HydrophobicContact CE2-CD2 3.43Å; Y1149-F1154 VanDerWaalsContact CE2-CD2 3.43Å; Y1149-F1154 AromaticContact CE2-CE2 3.56Å; Y1149-F1154 HydrophobicContact CE2-CE2 3.56Å; Y1149-F1154 HydrophobicContact CE2-CG 4.29Å; Y1149-F1154 HydrophobicContact CG-CD2 4.17Å; Y1149-F1154 AromaticContact CZ-CD2 3.34Å; Y1149-F1154 AromaticContact CZ-CE2 3.82Å; Y1149-F1154 AromaticContact CZ-CG 3.75Å; N1152-F1154 VanDerWaalsContact C-N 3.35Å; F1154-L1161 HydrophobicContact CD1-CD1 4.11Å; F1154-L1161 HydrophobicContact CE1-CD1 3.31Å; F1154-L1161 HydrophobicContact CE2-CD1 4.48Å; F1154-L1161 HydrophobicContact CZ-CD1 3.52Å
1155T44.9Very low45.7Very low118 Ų11882.7 Ų82.772%0.72442%0.423SS*.  trans-69.7162.3155.548.70000110N1157T1155-N1157 PolarHBondContact O-N 3.17Å
1156E42.6Very low44.6Very low158 Ų15890 Ų9074%0.73845%0.453SS*.THydrogen-bonded Turntrans-69.9-9.3-152.4-58.3-177.9100.900116.3S1158 K1162E1156-S1158 PolarHBondContact O-N 3.47Å; E1156-K1162 PolarHBondContact O-NZ 3.49Å
1157N40Very low44.5Very low145 Ų14590.4 Ų90.478%0.77545%0.454SS*.THydrogen-bonded Turntrans-82.8-7.7-164.6-62.6-2.3000115.1T1155 S1159T1155-N1157 PolarHBondContact O-N 3.17Å; N1157-S1159 PolarHBondContact O-N 3.08Å
1158S46.8Very low43.9Very low8 Ų889.6 Ų89.66%0.05645%0.454CS..  trans-77.362.417955.80000112.7E1156 T1160 L1161 K1162E1156-S1158 PolarHBondContact O-N 3.47Å; S1158-T1160 PolarHBondContact O-N 3.46Å; S1158-L1161 PolarHBondContact O-N 3.36Å; S1158-L1161 VanDerWaalsContact O-N 3.08Å; S1158-K1162 PolarHBondContact O-N 3.41Å
1159S39.9Very low43.6Very low72 Ų7293.9 Ų93.950%0.50348%0.475SS..Hα-helixtrans-57.4-35.3179.557.80000112.9N1157 L1161 K1162 N1163N1157-S1159 PolarHBondContact O-N 3.08Å; S1159-L1161 PolarHBondContact O-N 3.18Å; S1159-K1162 PolarHBondContact O-N 3.46Å; S1159-N1163 PolarHBondContact O-N 3.01Å; S1159-N1163 PolarHBondContact O-OD1 3.24Å
1160T44.4Very low43.3Very low51 Ų5195.4 Ų95.431%0.31349%0.487SS..Hα-helixtrans-67.2-32176460000113.2N1122 S1158 L1164N1122-T1160 PolarHBondContact ND2-OG1 3.39Å; N1122-T1160 WeakPolarHBondContact OD1-CB 3.36Å; N1122-T1160 WeakPolarHBondContact OD1-CG2 3.45Å; N1122-T1160 PolarHBondContact OD1-OG1 3.4Å; S1158-T1160 PolarHBondContact O-N 3.46Å; T1160-L1164 WeakPolarHBondContact O-CD1 3.01Å; T1160-L1164 WeakPolarHBondContact O-CG 3.06Å; T1160-L1164 PolarHBondContact O-N 3.49Å
1161L45.2Very low42.9Very low8 Ų890.2 Ų90.24%0.04247%0.469CS..Hα-helixtrans-77.8-34.2171.6-72.7171000112.6D1118 I1121 L1136 Y1149 F1154 S1158 S1159 N1163 L1164D1118-L1161 HydrophobicContact CB-CD1 4.07Å; I1121-L1161 HydrophobicContact CD1-CD2 4.34Å; L1136-L1161 HydrophobicContact CD1-CD2 3.95Å; L1136-L1161 HydrophobicContact CD2-CD2 3.57Å; L1136-L1161 HydrophobicContact CG-CD2 4.43Å; Y1149-L1161 VanDerWaalsContact OH-CB 3.32Å; Y1149-L1161 WeakPolarHBondContact OH-CB 3.4Å; F1154-L1161 HydrophobicContact CD1-CD1 4.11Å; F1154-L1161 HydrophobicContact CE1-CD1 3.31Å; F1154-L1161 HydrophobicContact CE2-CD1 4.48Å; F1154-L1161 HydrophobicContact CZ-CD1 3.52Å; S1158-L1161 PolarHBondContact O-N 3.36Å; S1158-L1161 VanDerWaalsContact O-N 3.08Å; S1159-L1161 PolarHBondContact O-N 3.18Å; L1161-N1163 PolarHBondContact O-N 3.44Å; L1161-L1164 HydrophobicContact CD2-CD1 4.29Å; L1161-L1164 PolarHBondContact O-N 3.08Å
1162K42.2Very low42.4Very low102 Ų10289.7 Ų89.744%0.44347%0.47SS..Hα-helixtrans-59.1-33.6169.4-75.4173171.9168.40111.9E1156 S1158 S1159 T1165E1156-K1162 PolarHBondContact O-NZ 3.49Å; S1158-K1162 PolarHBondContact O-N 3.41Å; S1159-K1162 PolarHBondContact O-N 3.46Å; K1162-T1165 PolarHBondContact O-OG1 3.49Å; K1162-T1165 VanDerWaalsContact O-OG1 3.08Å
1163N40.9Very low41.9Very low128 Ų12886.6 Ų86.668%0.68445%0.453SS*.G310 helixtrans-85-10.2179.7-68.5-1.4000114.4S1159 L1161 T1165S1159-N1163 PolarHBondContact O-N 3.01Å; S1159-N1163 PolarHBondContact O-OD1 3.24Å; L1161-N1163 PolarHBondContact O-N 3.44Å; N1163-T1165 VanDerWaalsContact C-N 3.34Å
1164L41.4Very low41.3Very low97 Ų9792.1 Ų92.151%0.50848%0.482SS..G310 helixtrans-88.94.8178.1-79163.9000113.7L1136 T1160 L1161L1136-L1164 HydrophobicContact CD2-CD1 3.76Å; T1160-L1164 WeakPolarHBondContact O-CD1 3.01Å; T1160-L1164 WeakPolarHBondContact O-CG 3.06Å; T1160-L1164 PolarHBondContact O-N 3.49Å; L1161-L1164 HydrophobicContact CD2-CD1 4.29Å; L1161-L1164 PolarHBondContact O-N 3.08Å
1165T33.6Very low41Very low66 Ų6696.5 Ų96.541%0.40551%0.508SS..G310 helixtrans-108.60.6-179.356.70000114.7R611 I1145 K1162 N1163R611-T1165 PolarHBondContact NH1-O 3.05Å; I1145-T1165 HydrophobicContact CD1-CG2 4.42Å; K1162-T1165 PolarHBondContact O-OG1 3.49Å; K1162-T1165 VanDerWaalsContact O-OG1 3.08Å; N1163-T1165 VanDerWaalsContact C-N 3.34Å
1166F30Very low40.6Very low205 Ų20594.5 Ų94.590%0.89949%0.488SS*.  trans-100.40178.2-83.2-81.9000114.7R611R611-F1166 PolarHBondContact NE-O 3.16Å; R611-F1166 VanDerWaalsContact NE-O 3.15Å; R611-F1166 PolarHBondContact NH1-O 3.12Å; R611-F1166 PolarHBondContact NH2-O 3.06Å; R611-F1166 PolarHBondContact NH2-OXT 3.34Å

Retrieved 1,166 of 1,166 residues in 739.7 ms (Link to these results)

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