G4VAR9_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession G4VAR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 902 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
1M44.4Very low61.9Low219 Ų219122.5 Ų122.5100%1.07956%0.559SS**  050.50-81154.452.600110P3M1-P3 VanDerWaalsContact C-CD 3.44Å
2Y49.5Very low63.1Low179 Ų179119.8 Ų119.870%0.70255%0.551SS**  trans-100.8-5.7-172.3-68.5-78.2000118.4N4 R5Y2-N4 PolarHBondContact O-N 2.96Å; Y2-R5 PolarHBondContact O-N 3.16Å
3P51.6Low64Low76 Ų76117 Ų11749%0.49454%0.541SS..Hα-helixtrans-64.1-29.7-172.327.9-34.3000112.7M1 R5 W6 L7M1-P3 VanDerWaalsContact C-CD 3.44Å; P3-R5 PolarHBondContact O-N 3.46Å; P3-W6 PolarHBondContact O-N 3.41Å; P3-L7 VanDerWaalsContact O-CB 3.29Å; P3-L7 WeakPolarHBondContact O-CB 3.38Å; P3-L7 PolarHBondContact O-N 3.41Å
4N60.3Low64.4Low103 Ų103109.1 Ų109.155%0.55150%0.504SS*.Hα-helixtrans-63-35.5-179.8-65.137.1000113.4Y2 I8Y2-N4 PolarHBondContact O-N 2.96Å; N4-I8 WeakPolarHBondContact O-CB 3.28Å; N4-I8 WeakPolarHBondContact O-CD1 3.46Å; N4-I8 WeakPolarHBondContact O-CG1 3.27Å; N4-I8 PolarHBondContact O-N 2.84Å
5R71.6Confident65Low189 Ų189105.1 Ų105.171%0.71349%0.493SS*.Hα-helixtrans-67.2-49.8179.6-81.2-167.6175.8-168.9-2.2111Y2 P3 L7 I8 I9Y2-R5 PolarHBondContact O-N 3.16Å; P3-R5 PolarHBondContact O-N 3.46Å; R5-L7 VanDerWaalsContact C-N 3.33Å; R5-L7 PolarHBondContact O-N 3.04Å; R5-I8 PolarHBondContact O-N 2.85Å; R5-I9 VanDerWaalsContact O-CG1 3.31Å; R5-I9 WeakPolarHBondContact O-CG1 3.34Å; R5-I9 PolarHBondContact O-N 3.23Å
6W64.8Low65.9Low185 Ų185103.6 Ų103.670%0.70149%0.489SS*.Hα-helixtrans-61.4-40.5175.7-77.1105000112.3P3 I9 W10P3-W6 PolarHBondContact O-N 3.41Å; W6-I9 PolarHBondContact O-N 2.94Å; W6-W10 WeakPolarHBondContact O-CB 3.5Å; W6-W10 PolarHBondContact O-N 3.21Å
7L58.4Low66.2Low40 Ų40101.8 Ų101.821%0.20948%0.483CS..Hα-helixtrans-60-47.1174.6177.757.4000112.4P3 R5 W10 I11 I416 A420P3-L7 VanDerWaalsContact O-CB 3.29Å; P3-L7 WeakPolarHBondContact O-CB 3.38Å; P3-L7 PolarHBondContact O-N 3.41Å; R5-L7 VanDerWaalsContact C-N 3.33Å; R5-L7 PolarHBondContact O-N 3.04Å; L7-W10 PolarHBondContact O-N 3.4Å; L7-I11 HydrophobicContact CD1-CD1 3.71Å; L7-I11 HydrophobicContact CD1-CG1 4.08Å; L7-I11 HydrophobicContact CG-CD1 3.83Å; L7-I11 WeakPolarHBondContact O-CB 3.48Å; L7-I11 VanDerWaalsContact O-CG1 3.32Å; L7-I11 WeakPolarHBondContact O-CG1 3.26Å; L7-I11 PolarHBondContact O-N 3.38Å; L7-I416 HydrophobicContact CD2-CG2 4.49Å; L7-A420 HydrophobicContact CD1-CB 3.34Å; L7-A420 HydrophobicContact CD2-CB 4.16Å; L7-A420 HydrophobicContact CG-CB 4.4Å
8I69.4Low66.5Low98 Ų9897.8 Ų97.850%0.50346%0.464SS..Hα-helixtrans-63-44.9179-72.1164000110.4N4 R5 W10 I11 I12N4-I8 WeakPolarHBondContact O-CB 3.28Å; N4-I8 WeakPolarHBondContact O-CD1 3.46Å; N4-I8 WeakPolarHBondContact O-CG1 3.27Å; N4-I8 PolarHBondContact O-N 2.84Å; R5-I8 PolarHBondContact O-N 2.85Å; I8-W10 VanDerWaalsContact C-N 3.33Å; I8-W10 PolarHBondContact O-N 3.48Å; I8-I11 PolarHBondContact O-N 3.46Å; I8-I12 HydrophobicContact CG2-CD1 3.65Å; I8-I12 HydrophobicContact CG2-CG1 4.39Å; I8-I12 WeakPolarHBondContact O-CB 3.34Å; I8-I12 VanDerWaalsContact O-CG1 3.23Å; I8-I12 WeakPolarHBondContact O-CG1 3.45Å; I8-I12 PolarHBondContact O-N 2.83Å
9I73.9Confident67.2Low81 Ų8197.9 Ų97.942%0.41547%0.467SS..Hα-helixtrans-58.7-45.2175.1-67.5163.2000110.8R5 W6 I12 I13R5-I9 VanDerWaalsContact O-CG1 3.31Å; R5-I9 WeakPolarHBondContact O-CG1 3.34Å; R5-I9 PolarHBondContact O-N 3.23Å; W6-I9 PolarHBondContact O-N 2.94Å; I9-I12 PolarHBondContact O-N 3.16Å; I9-I13 HydrophobicContact CG2-CD1 3.78Å; I9-I13 VanDerWaalsContact O-CG1 3.31Å; I9-I13 WeakPolarHBondContact O-CG1 3.47Å; I9-I13 PolarHBondContact O-N 3.01Å
10W68.3Low67.6Low95 Ų9597.7 Ų97.736%0.3647%0.469SS..Hα-helixtrans-66.2-40.8-179.8-135.496.5000112.6W6 L7 I8 I13 Y14 L450 L454W6-W10 WeakPolarHBondContact O-CB 3.5Å; W6-W10 PolarHBondContact O-N 3.21Å; L7-W10 PolarHBondContact O-N 3.4Å; I8-W10 VanDerWaalsContact C-N 3.33Å; I8-W10 PolarHBondContact O-N 3.48Å; W10-I13 PolarHBondContact O-N 3.04Å; W10-Y14 HydrophobicContact CZ3-CD2 4.05Å; W10-Y14 HydrophobicContact CZ3-CG 4.24Å; W10-Y14 WeakPolarHBondContact O-CB 3.41Å; W10-Y14 PolarHBondContact O-N 2.96Å; W10-L450 HydrophobicContact CH2-CD1 4.39Å; W10-L454 HydrophobicContact CE3-CD1 4.39Å; W10-L454 HydrophobicContact CH2-CD1 3.46Å; W10-L454 VanDerWaalsContact CH2-CD1 3.46Å; W10-L454 HydrophobicContact CH2-CD2 3.65Å; W10-L454 HydrophobicContact CH2-CG 4.11Å; W10-L454 HydrophobicContact CZ2-CD1 4.38Å; W10-L454 HydrophobicContact CZ2-CD2 3.72Å; W10-L454 HydrophobicContact CZ3-CD1 3.45Å; W10-L454 VanDerWaalsContact CZ3-CD1 3.45Å; W10-L454 HydrophobicContact CZ3-CD2 4.16Å; W10-L454 HydrophobicContact CZ3-CG 4.45Å
11I68.7Low67.6Low83 Ų8396.1 Ų96.143%0.42646%0.46SS..Hα-helixtrans-63.4-43.7173.5-69.9168.3000110.5L7 I8 I13 Y14 C15L7-I11 HydrophobicContact CD1-CD1 3.71Å; L7-I11 HydrophobicContact CD1-CG1 4.08Å; L7-I11 HydrophobicContact CG-CD1 3.83Å; L7-I11 WeakPolarHBondContact O-CB 3.48Å; L7-I11 VanDerWaalsContact O-CG1 3.32Å; L7-I11 WeakPolarHBondContact O-CG1 3.26Å; L7-I11 PolarHBondContact O-N 3.38Å; I8-I11 PolarHBondContact O-N 3.46Å; I11-I13 PolarHBondContact O-N 3.24Å; I11-Y14 PolarHBondContact O-N 3.31Å; I11-C15 VanDerWaalsContact O-CB 3.28Å; I11-C15 WeakPolarHBondContact O-CB 3.41Å; I11-C15 PolarHBondContact O-N 2.91Å; I11-C15 PolarHBondContact O-SG 3.23Å
12I76.1Confident69Low90 Ų9088.8 Ų88.846%0.46243%0.43SS..Hα-helixtrans-61.3-44.9177.2-71.9167.8000110.7I8 I9 N16I8-I12 HydrophobicContact CG2-CD1 3.65Å; I8-I12 HydrophobicContact CG2-CG1 4.39Å; I8-I12 WeakPolarHBondContact O-CB 3.34Å; I8-I12 VanDerWaalsContact O-CG1 3.23Å; I8-I12 WeakPolarHBondContact O-CG1 3.45Å; I8-I12 PolarHBondContact O-N 2.83Å; I9-I12 PolarHBondContact O-N 3.16Å; I12-N16 WeakPolarHBondContact CG2-ND2 3.3Å; I12-N16 WeakPolarHBondContact O-CB 3.37Å; I12-N16 PolarHBondContact O-N 3.38Å; I12-N16 PolarHBondContact O-ND2 3.07Å
13I74.6Confident70.2Confident83 Ų8382.1 Ų82.143%0.42641%0.412SS..Hα-helixtrans-61.7-48.9176.7-69.1166000110.6I9 W10 I11 C15 N16 I17I9-I13 HydrophobicContact CG2-CD1 3.78Å; I9-I13 VanDerWaalsContact O-CG1 3.31Å; I9-I13 WeakPolarHBondContact O-CG1 3.47Å; I9-I13 PolarHBondContact O-N 3.01Å; W10-I13 PolarHBondContact O-N 3.04Å; I11-I13 PolarHBondContact O-N 3.24Å; I13-C15 PolarHBondContact O-N 2.86Å; I13-N16 PolarHBondContact O-N 3.08Å; I13-I17 HydrophobicContact CG2-CD1 3.86Å; I13-I17 WeakPolarHBondContact O-CG1 3.41Å; I13-I17 PolarHBondContact O-N 3.49Å
14Y69.4Low71.1Confident6 Ų681.4 Ų81.42%0.02440%0.404CS..Hα-helixtrans-63.2-42.6-179.9-171.7-111.5000112.6W10 I11 I17 L18 P424 I427 M447 S451W10-Y14 HydrophobicContact CZ3-CD2 4.05Å; W10-Y14 HydrophobicContact CZ3-CG 4.24Å; W10-Y14 WeakPolarHBondContact O-CB 3.41Å; W10-Y14 PolarHBondContact O-N 2.96Å; I11-Y14 PolarHBondContact O-N 3.31Å; Y14-I17 PolarHBondContact O-N 3.47Å; Y14-L18 HydrophobicContact CD1-CD1 3.92Å; Y14-L18 HydrophobicContact CE1-CD1 3.49Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.49Å; Y14-L18 HydrophobicContact CE1-CG 4.28Å; Y14-L18 WeakPolarHBondContact O-CG 3.38Å; Y14-L18 PolarHBondContact O-N 3.2Å; Y14-P424 HydrophobicContact CD1-CB 4.25Å; Y14-P424 HydrophobicContact CD1-CG 4.48Å; Y14-P424 HydrophobicContact CE1-CB 3.72Å; Y14-P424 HydrophobicContact CE1-CG 4.38Å; Y14-P424 HydrophobicContact CE2-CB 4.14Å; Y14-P424 PolarHBondContact OH-O 2.92Å; Y14-I427 HydrophobicContact CE1-CD1 4.21Å; Y14-M447 HydrophobicContact CE2-CE 3.99Å; Y14-S451 PolarHBondContact OH-OG 3.46Å
15C74.4Confident71.4Confident50 Ų5079.8 Ų79.834%0.33839%0.392SS..Hα-helixtrans-64.4-41.1174.9-71.60000112.1I11 I13 L18 I19I11-C15 VanDerWaalsContact O-CB 3.28Å; I11-C15 WeakPolarHBondContact O-CB 3.41Å; I11-C15 PolarHBondContact O-N 2.91Å; I11-C15 PolarHBondContact O-SG 3.23Å; I13-C15 PolarHBondContact O-N 2.86Å; C15-L18 PolarHBondContact O-N 3.14Å; C15-I19 WeakPolarHBondContact O-CB 3.27Å; C15-I19 WeakPolarHBondContact O-CD1 3.42Å; C15-I19 WeakPolarHBondContact O-CG1 3.48Å; C15-I19 PolarHBondContact O-N 2.92Å
16N78.7Confident71.6Confident80 Ų8076.1 Ų76.143%0.42839%0.385SS..Hα-helixtrans-64.2-39.7175.4-83.5-76.7000112.1I12 I13 I19 N20I12-N16 WeakPolarHBondContact CG2-ND2 3.3Å; I12-N16 WeakPolarHBondContact O-CB 3.37Å; I12-N16 PolarHBondContact O-N 3.38Å; I12-N16 PolarHBondContact O-ND2 3.07Å; I13-N16 PolarHBondContact O-N 3.08Å; N16-I19 PolarHBondContact O-N 3.23Å; N16-N20 VanDerWaalsContact O-CB 3.31Å; N16-N20 WeakPolarHBondContact O-CB 3.46Å; N16-N20 PolarHBondContact O-N 3.22Å; N16-N20 PolarHBondContact O-ND2 3.31Å
17I71.8Confident72.1Confident73 Ų7371.5 Ų71.537%0.37437%0.374SS..Hα-helixtrans-60.3-46.1174-68.8165000110.6I13 Y14 F21 M447I13-I17 HydrophobicContact CG2-CD1 3.86Å; I13-I17 WeakPolarHBondContact O-CG1 3.41Å; I13-I17 PolarHBondContact O-N 3.49Å; Y14-I17 PolarHBondContact O-N 3.47Å; I17-F21 WeakPolarHBondContact O-CB 3.44Å; I17-F21 PolarHBondContact O-N 3.25Å; I17-M447 HydrophobicContact CG2-CE 4.3Å; I17-M447 HydrophobicContact CG2-SD 4.29Å
18L71.6Confident72.6Confident30 Ų3074.2 Ų74.216%0.15739%0.389CS..Hα-helixtrans-65.6-41.5177-72.7176.6000113.2Y14 C15 F21 S22 I427 L431 M447Y14-L18 HydrophobicContact CD1-CD1 3.92Å; Y14-L18 HydrophobicContact CE1-CD1 3.49Å; Y14-L18 VanDerWaalsContact CE1-CD1 3.49Å; Y14-L18 HydrophobicContact CE1-CG 4.28Å; Y14-L18 WeakPolarHBondContact O-CG 3.38Å; Y14-L18 PolarHBondContact O-N 3.2Å; C15-L18 PolarHBondContact O-N 3.14Å; L18-F21 PolarHBondContact O-N 3.34Å; L18-S22 WeakPolarHBondContact O-CB 3.3Å; L18-S22 PolarHBondContact O-N 3.24Å; L18-I427 HydrophobicContact CD1-CG2 3.82Å; L18-L431 HydrophobicContact CD1-CD1 4.34Å; L18-L431 HydrophobicContact CD2-CD1 3.84Å; L18-M447 HydrophobicContact CD2-CE 3.66Å; L18-M447 HydrophobicContact CG-CE 4.44Å
19I78.9Confident72.7Confident101 Ų10173.5 Ų73.552%0.51838%0.384SS..Hα-helixtrans-64.8-47.6178.7-72.1162.7000110.3C15 N16 F21 S22 A23C15-I19 WeakPolarHBondContact O-CB 3.27Å; C15-I19 WeakPolarHBondContact O-CD1 3.42Å; C15-I19 WeakPolarHBondContact O-CG1 3.48Å; C15-I19 PolarHBondContact O-N 2.92Å; N16-I19 PolarHBondContact O-N 3.23Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 3.49Å; I19-S22 PolarHBondContact O-N 2.94Å; I19-A23 WeakPolarHBondContact O-CB 3.41Å; I19-A23 PolarHBondContact O-N 2.99Å
20N76.6Confident72.6Confident93 Ų9372.3 Ų72.350%0.49738%0.383SS..Hα-helixtrans-62.5-38.7177.7-69.8-15.3000111.6N16 A23 N24N16-N20 VanDerWaalsContact O-CB 3.31Å; N16-N20 WeakPolarHBondContact O-CB 3.46Å; N16-N20 PolarHBondContact O-N 3.22Å; N16-N20 PolarHBondContact O-ND2 3.31Å; N20-A23 PolarHBondContact O-N 2.9Å; N20-N24 WeakPolarHBondContact O-CB 3.29Å; N20-N24 PolarHBondContact O-N 3.33Å
21F67.6Low72.7Confident65 Ų6572.6 Ų72.629%0.28539%0.39SS..Hα-helixtrans-65.6-41175-165.6-107.9000112.3I17 L18 I19 K25 L436 V439 V443I17-F21 WeakPolarHBondContact O-CB 3.44Å; I17-F21 PolarHBondContact O-N 3.25Å; L18-F21 PolarHBondContact O-N 3.34Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 3.49Å; F21-K25 PolarHBondContact O-N 3.26Å; F21-L436 HydrophobicContact CE1-CD2 4.47Å; F21-V439 HydrophobicContact CE1-CG1 4.42Å; F21-V439 HydrophobicContact CZ-CG1 4.17Å; F21-V443 HydrophobicContact CD2-CG1 4.38Å; F21-V443 HydrophobicContact CE2-CB 4.48Å; F21-V443 HydrophobicContact CE2-CG1 3.66Å; F21-V443 HydrophobicContact CZ-CB 4.47Å; F21-V443 HydrophobicContact CZ-CG1 3.77Å
22S72Confident72.6Confident65 Ų6573.2 Ų73.246%0.45540%0.398SS..Hα-helixtrans-66.5-40.3175.5-165.80000112.6L18 I19 K25 I26L18-S22 WeakPolarHBondContact O-CB 3.3Å; L18-S22 PolarHBondContact O-N 3.24Å; I19-S22 PolarHBondContact O-N 2.94Å; S22-K25 PolarHBondContact O-N 3.46Å; S22-I26 PolarHBondContact O-N 3.28Å
23A76.5Confident72.2Confident38 Ų3875.4 Ų75.431%0.31440%0.404SS..Hα-helixtrans-65.4-42.2178.300000111.9I19 N20 K25 I26 N27I19-A23 WeakPolarHBondContact O-CB 3.41Å; I19-A23 PolarHBondContact O-N 2.99Å; N20-A23 PolarHBondContact O-N 2.9Å; A23-K25 VanDerWaalsContact C-N 3.26Å; A23-K25 PolarHBondContact O-N 2.97Å; A23-I26 PolarHBondContact O-N 2.73Å; A23-I26 VanDerWaalsContact O-N 3.14Å; A23-N27 PolarHBondContact O-N 3.48Å; A23-N27 VanDerWaalsContact O-N 3.12Å
24N70.3Confident71.7Confident61 Ų6177.5 Ų77.533%0.32642%0.416SS..Hα-helixtrans-63.6-30.3177.6-74.3-0.1000112.8N20 N28 Y64N20-N24 WeakPolarHBondContact O-CB 3.29Å; N20-N24 PolarHBondContact O-N 3.33Å; N24-N28 VanDerWaalsContact O-CG 3.25Å; N24-N28 PolarHBondContact O-N 3.13Å; N24-N28 VanDerWaalsContact O-N 3.12Å; N24-Y64 PolarHBondContact ND2-OH 3.38Å
25K66.1Low71.3Confident70 Ų7083.8 Ų83.830%0.30445%0.45SS..Hα-helixtrans-63.6-46172-177.9175.7171.6178.20111.7F21 S22 A23 N27 N28 E29 V435F21-K25 PolarHBondContact O-N 3.26Å; S22-K25 PolarHBondContact O-N 3.46Å; A23-K25 VanDerWaalsContact C-N 3.26Å; A23-K25 PolarHBondContact O-N 2.97Å; K25-N27 VanDerWaalsContact C-N 3.35Å; K25-N27 PolarHBondContact O-N 3.23Å; K25-N28 PolarHBondContact O-N 2.93Å; K25-E29 WeakPolarHBondContact CE-OE1 3.48Å; K25-E29 IonicContact NZ-OE1 2.61Å; K25-E29 PolarHBondContact O-N 3.47Å; K25-V435 PolarHBondContact NZ-O 2.83Å
26I75.4Confident70.4Confident111 Ų11184.6 Ų84.657%0.56947%0.466SS*.Hα-helixtrans-62.2-43.2-179.4-62.1169.1000110.9S22 A23 N28 E29 S30S22-I26 PolarHBondContact O-N 3.28Å; A23-I26 PolarHBondContact O-N 2.73Å; A23-I26 VanDerWaalsContact O-N 3.14Å; I26-N28 PolarHBondContact O-N 3.3Å; I26-E29 PolarHBondContact O-N 3.23Å; I26-S30 PolarHBondContact O-N 3.02Å; I26-S30 VanDerWaalsContact O-N 3.13Å; I26-S30 PolarHBondContact O-OG 3.48Å
27N74.9Confident69.5Low88 Ų8886.5 Ų86.547%0.47148%0.481SS..Hα-helixtrans-66.1-36.1178.4-68.2-13.6000112.7A23 K25 S30 I31A23-N27 PolarHBondContact O-N 3.48Å; A23-N27 VanDerWaalsContact O-N 3.12Å; K25-N27 VanDerWaalsContact C-N 3.35Å; K25-N27 PolarHBondContact O-N 3.23Å; N27-S30 PolarHBondContact O-OG 3.49Å; N27-I31 WeakPolarHBondContact O-CD1 3.08Å; N27-I31 VanDerWaalsContact O-CG1 3.29Å; N27-I31 WeakPolarHBondContact O-CG1 3.49Å; N27-I31 PolarHBondContact O-N 3.45Å
28N68.9Low68.9Low98 Ų9889.2 Ų89.252%0.52450%0.496SS..Hα-helixtrans-70-40.6176.1-71.9-8.9000111.8N24 K25 I26 S30 I31 T32N24-N28 VanDerWaalsContact O-CG 3.25Å; N24-N28 PolarHBondContact O-N 3.13Å; N24-N28 VanDerWaalsContact O-N 3.12Å; K25-N28 PolarHBondContact O-N 2.93Å; I26-N28 PolarHBondContact O-N 3.3Å; N28-S30 PolarHBondContact O-N 2.91Å; N28-I31 PolarHBondContact O-N 2.71Å; N28-T32 PolarHBondContact O-N 3.24Å; N28-T32 VanDerWaalsContact O-N 3.14Å; N28-T32 PolarHBondContact O-OG1 2.81Å
29E72Confident68Low83 Ų8395.3 Ų95.339%0.38853%0.529SS..Hα-helixtrans-67.2-32178.5-76-173.7-151.100113.5K25 I26 T32 K33K25-E29 WeakPolarHBondContact CE-OE1 3.48Å; K25-E29 IonicContact NZ-OE1 2.61Å; K25-E29 PolarHBondContact O-N 3.47Å; I26-E29 PolarHBondContact O-N 3.23Å; E29-T32 WeakPolarHBondContact CA-OG1 3.48Å; E29-T32 PolarHBondContact O-OG1 3.34Å; E29-K33 WeakPolarHBondContact O-CD 3.37Å; E29-K33 WeakPolarHBondContact O-CG 3.35Å; E29-K33 PolarHBondContact O-N 3.02Å; E29-K33 IonicContact OE2-NZ 3.89Å
30S72.4Confident66.9Low56 Ų5698.5 Ų98.539%0.39255%0.545SS..Hα-helixtrans-72.5-40.3175.962.50000112.2I26 N27 N28 T32 K33 N34I26-S30 PolarHBondContact O-N 3.02Å; I26-S30 VanDerWaalsContact O-N 3.13Å; I26-S30 PolarHBondContact O-OG 3.48Å; N27-S30 PolarHBondContact O-OG 3.49Å; N28-S30 PolarHBondContact O-N 2.91Å; S30-T32 PolarHBondContact O-N 2.99Å; S30-K33 PolarHBondContact O-N 3.32Å; S30-N34 PolarHBondContact O-N 3.06Å; S30-N34 VanDerWaalsContact O-N 3.15Å
31I70.3Confident65.7Low100 Ų10099.1 Ų99.151%0.51356%0.557SS.*Hα-helixtrans-61.4-44.7175.2-67.7166.7000110.9N27 N28 K33 N34 L35N27-I31 WeakPolarHBondContact O-CD1 3.08Å; N27-I31 VanDerWaalsContact O-CG1 3.29Å; N27-I31 WeakPolarHBondContact O-CG1 3.49Å; N27-I31 PolarHBondContact O-N 3.45Å; N28-I31 PolarHBondContact O-N 2.71Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 3.06Å; I31-N34 PolarHBondContact O-N 3.48Å; I31-L35 HydrophobicContact CG2-CD1 4.24Å; I31-L35 PolarHBondContact O-N 3Å
32T65.6Low65.2Low97 Ų97102.4 Ų102.460%0.59558%0.582SS**Hα-helixtrans-64.8-31.6178.849.80000113.6N28 E29 S30N28-T32 PolarHBondContact O-N 3.24Å; N28-T32 VanDerWaalsContact O-N 3.14Å; N28-T32 PolarHBondContact O-OG1 2.81Å; E29-T32 WeakPolarHBondContact CA-OG1 3.48Å; E29-T32 PolarHBondContact O-OG1 3.34Å; S30-T32 PolarHBondContact O-N 2.99Å
33K68.8Low64.4Low135 Ų135105.3 Ų105.359%0.58760%0.598SS**Hα-helixtrans-73.3-34.2177.2-74.4168.1-174.8163.50112E29 S30 I31 G36E29-K33 WeakPolarHBondContact O-CD 3.37Å; E29-K33 WeakPolarHBondContact O-CG 3.35Å; E29-K33 PolarHBondContact O-N 3.02Å; E29-K33 IonicContact OE2-NZ 3.89Å; S30-K33 PolarHBondContact O-N 3.32Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 3.06Å; K33-G36 PolarHBondContact O-N 3.2Å
34N63.1Low63.1Low127 Ų127110.6 Ų110.668%0.67962%0.619SS**Hα-helixtrans-77.3-24.1180-70.9-6.4000113.9S30 I31S30-N34 PolarHBondContact O-N 3.06Å; S30-N34 VanDerWaalsContact O-N 3.15Å; I31-N34 PolarHBondContact O-N 3.48Å
35L60.5Low62.2Low139 Ų139114.2 Ų114.273%0.72864%0.639SS**Hα-helixtrans-77.3-18.7173.1-97.578.4000113.8I31 V37I31-L35 HydrophobicContact CG2-CD1 4.24Å; I31-L35 PolarHBondContact O-N 3Å; L35-V37 PolarHBondContact O-N 3.37Å
36G56.9Low61.7Low67 Ų67118.1 Ų118.169%0.69166%0.663SS**THydrogen-bonded Turntrans-84.66-170.200000116.8K33K33-G36 PolarHBondContact O-N 3.2Å
37V59.6Low60.9Low120 Ų120118.1 Ų118.173%0.72767%0.668SS**SBendtrans-114.6-17.9-167.7-1770000113.6L35L35-V37 PolarHBondContact O-N 3.37Å
38N59.2Low59.8Low129 Ų129120.7 Ų120.769%0.6968%0.682SS**SBendtrans-97.9132.6-177.4-67.8-3.5000111.6
39N53.1Low59Low159 Ų159123.2 Ų123.285%0.8570%0.695SS**  trans74.166.6167.9-51.6-3.8000117
40I54.4Low58.2Low167 Ų167125.2 Ų125.286%0.85671%0.713SS**  trans-118.592.6150.1-59.1179.7000109
41S53.2Low57.3Low107 Ų107130.2 Ų130.275%0.74874%0.735SS**  trans-171.9150.3160.7-840000111.1
42T57Low56.4Low134 Ų134133.8 Ų133.882%0.82275%0.747SS**SBendtrans74.1133175.265.50000118.6
43T54.1Low55.7Low126 Ų126136.7 Ų136.777%0.77375%0.754SS**  trans44.8103.5158.8540000116.6
44L50.1Low54.9Low148 Ų148135.9 Ų135.978%0.77576%0.761SS**  cis57.6128.641-132.885.3000113.4
45D50.9Low54.6Low138 Ų138134.9 Ų134.974%0.73876%0.759SS**  trans5686.7166.1-51.6-23.7000118.5
46D55.3Low54.5Low152 Ų152135.3 Ų135.381%0.81376%0.762SS**  -161.6126.6120-116.2-16.7000116.1
47V57.8Low54.3Low110 Ų110136.3 Ų136.367%0.66776%0.759SS**  45107.8129.8174.30000121.2
48N53.1Low54.1Low143 Ų143135.3 Ų135.377%0.76575%0.753SS**  trans52121.8131.1-60.3-29.2000122.7
49N50.9Low54Low151 Ų151136 Ų13681%0.80776%0.757SS**  71.262.5127-154.424.9000118.6
50V56.4Low54.3Low124 Ų124132.8 Ų132.875%0.75275%0.747SS**  trans-121.1121.4156.1-178.40000110.5F52V50-F52 VanDerWaalsContact C-N 3.35Å; V50-F52 HydrophobicContact CG1-CB 4.41Å; V50-F52 PolarHBondContact O-N 3.42Å
51N53.6Low54.5Low162 Ų162129 Ų12987%0.86673%0.732SS**  trans-71.985.4168.7-73.7-58.9000110.1
52F51.5Low55.1Low174 Ų174125.9 Ų125.976%0.76372%0.716SS**  trans-106.6121.6171.8-151.2-95.1000111.9V50 T54V50-F52 VanDerWaalsContact C-N 3.35Å; V50-F52 HydrophobicContact CG1-CB 4.41Å; V50-F52 PolarHBondContact O-N 3.42Å; F52-T54 PolarHBondContact O-N 3.41Å; F52-T54 VanDerWaalsContact O-N 3.08Å
53Q51.3Low55.7Low159 Ų159124.2 Ų124.274%0.74371%0.706SS**  trans-70.1103.2-179.2-66.6174.1-46.900110.2T55Q53-T55 HydrophobicContact CB-CG2 4.19Å; Q53-T55 PolarHBondContact O-N 3.5Å; Q53-T55 PolarHBondContact O-OG1 3.35Å
54T50.3Low56.7Low118 Ų118122.4 Ų122.472%0.72469%0.685SS**  trans-77.459.5175.1-39.70000111.7F52 N56F52-T54 PolarHBondContact O-N 3.41Å; F52-T54 VanDerWaalsContact O-N 3.08Å; T54-N56 PolarHBondContact O-N 3.34Å
55T57.3Low58Low105 Ų105121.1 Ų121.164%0.64467%0.673SS**THydrogen-bonded Turntrans-69.810.6179.741.20000114.7Q53Q53-T55 HydrophobicContact CB-CG2 4.19Å; Q53-T55 PolarHBondContact O-N 3.5Å; Q53-T55 PolarHBondContact O-OG1 3.35Å
56N57.7Low59.5Low149 Ų149122.7 Ų122.780%0.79767%0.67SS**THydrogen-bonded Turntrans-997.5-174.5-70.3-16.8000114.3T54 T58T54-N56 PolarHBondContact O-N 3.34Å; N56-T58 PolarHBondContact O-N 3.12Å
57S53.4Low60.4Low87 Ų87120.9 Ų120.961%0.60866%0.66SS**SBendtrans-81114.1176.656.30000113.2
58T55.2Low61.4Low100 Ų100116.8 Ų116.861%0.61363%0.633SS**  trans70.635.5152.265.20000120.2N56 S60 T61N56-T58 PolarHBondContact O-N 3.12Å; T58-S60 PolarHBondContact O-N 3.47Å; T58-T61 PolarHBondContact O-N 3.44Å; T58-T61 PolarHBondContact O-OG1 2.81Å
59N57.3Low62.9Low144 Ų144113.7 Ų113.777%0.7762%0.616SS**G310 helixtrans-56.3-14169-87-24.5000115.5T61 G62N59-T61 VanDerWaalsContact C-N 3.25Å; N59-T61 PolarHBondContact O-N 3.22Å; N59-G62 PolarHBondContact O-N 3.05Å
60S58.6Low64.4Low91 Ų91110.2 Ų110.264%0.63660%0.597SS**G310 helixtrans-67.2-16.8-178.852.30000115.2T58 T63T58-S60 PolarHBondContact O-N 3.47Å; S60-T63 PolarHBondContact O-OG1 2.87Å
61T59.7Low65.3Low88 Ų88108 Ų10854%0.5458%0.581SS.*G310 helixtrans-77.7-25.6178.655.10000113.2T58 N59 T63T58-T61 PolarHBondContact O-N 3.44Å; T58-T61 PolarHBondContact O-OG1 2.81Å; N59-T61 VanDerWaalsContact C-N 3.25Å; N59-T61 PolarHBondContact O-N 3.22Å; T61-T63 VanDerWaalsContact C-N 3.31Å; T61-T63 PolarHBondContact O-N 2.97Å
62G65.9Low66.6Low40 Ų40102.4 Ų102.441%0.41255%0.549SS..THydrogen-bonded Turntrans-67.7-26.6-175.500000114.8N59 Y64 K65N59-G62 PolarHBondContact O-N 3.05Å; G62-Y64 PolarHBondContact O-N 3.37Å; G62-K65 VanDerWaalsContact O-CB 3.32Å; G62-K65 WeakPolarHBondContact O-CB 3.32Å; G62-K65 PolarHBondContact O-N 3.38Å; G62-K65 VanDerWaalsContact O-N 3.12Å
63T70Confident68.1Low100 Ų100100.3 Ų100.361%0.61354%0.541SS*.Hα-helixtrans-60.9-40.3-166.5-36.10000113.6S60 T61S60-T63 PolarHBondContact O-OG1 2.87Å; T61-T63 VanDerWaalsContact C-N 3.31Å; T61-T63 PolarHBondContact O-N 2.97Å
64Y73.7Confident69.5Low88 Ų88100.9 Ų100.935%0.34554%0.538SS..Hα-helixtrans-79.8-20.9-179.3-65-76.3000113.3N24 G62 Y66 L67 Y68N24-Y64 PolarHBondContact ND2-OH 3.38Å; G62-Y64 PolarHBondContact O-N 3.37Å; Y64-Y66 VanDerWaalsContact C-N 3.34Å; Y64-Y66 PolarHBondContact O-N 3.21Å; Y64-L67 PolarHBondContact O-N 3.12Å; Y64-Y68 WeakPolarHBondContact O-CB 3.44Å; Y64-Y68 PolarHBondContact O-N 3.08Å
65K78.8Confident70.9Confident120 Ų12096.8 Ų96.852%0.52251%0.51SS..Hα-helixtrans-64.4-36.9-178-168.5173.7-176.71740112.5G62 N69G62-K65 VanDerWaalsContact O-CB 3.32Å; G62-K65 WeakPolarHBondContact O-CB 3.32Å; G62-K65 PolarHBondContact O-N 3.38Å; G62-K65 VanDerWaalsContact O-N 3.12Å; K65-N69 WeakPolarHBondContact O-CB 3.33Å; K65-N69 VanDerWaalsContact O-CG 3.29Å; K65-N69 PolarHBondContact O-N 3.14Å; K65-N69 PolarHBondContact O-ND2 3.48Å
66Y81.3Confident71.8Confident172 Ų17292.1 Ų92.168%0.67548%0.481SS*.Hα-helixtrans-67.2-47.3175-179.9-112.1000112Y64 Y68 N69 N70Y64-Y66 VanDerWaalsContact C-N 3.34Å; Y64-Y66 PolarHBondContact O-N 3.21Å; Y66-Y68 VanDerWaalsContact C-N 3.34Å; Y66-Y68 PolarHBondContact O-N 3.19Å; Y66-N69 PolarHBondContact O-N 3.39Å; Y66-N70 WeakPolarHBondContact CE1-ND2 3.44Å; Y66-N70 WeakPolarHBondContact CE2-ND2 3.39Å; Y66-N70 PolarHBondContact O-N 2.74Å; Y66-N70 PolarHBondContact OH-ND2 2.99Å
67L74.7Confident72.9Confident114 Ų11486.9 Ų86.960%0.59746%0.455SS*.Hα-helixtrans-60-45175.8-171.375.1000111.2Y64 L71Y64-L67 PolarHBondContact O-N 3.12Å; L67-L71 WeakPolarHBondContact O-CB 3.24Å; L67-L71 PolarHBondContact O-N 2.96Å
68Y78.5Confident74.7Confident24 Ų2491.7 Ų91.79%0.09446%0.459CS..Hα-helixtrans-59.6-51.4175.9173.2-139000111.4Y64 Y66 N70 L71 K72 D442 F446Y64-Y68 WeakPolarHBondContact O-CB 3.44Å; Y64-Y68 PolarHBondContact O-N 3.08Å; Y66-Y68 VanDerWaalsContact C-N 3.34Å; Y66-Y68 PolarHBondContact O-N 3.19Å; Y68-N70 PolarHBondContact O-N 3.22Å; Y68-L71 PolarHBondContact O-N 3.12Å; Y68-K72 HydrophobicContact CD2-CB 4.19Å; Y68-K72 HydrophobicContact CE2-CB 4.05Å; Y68-K72 HydrophobicContact CE2-CD 4.42Å; Y68-K72 HydrophobicContact CE2-CG 4.37Å; Y68-K72 WeakPolarHBondContact O-CA 3.3Å; Y68-K72 WeakPolarHBondContact O-CB 3.47Å; Y68-K72 PolarHBondContact O-N 3.28Å; Y68-D442 HydrophobicContact CD1-CB 3.77Å; Y68-D442 HydrophobicContact CE1-CB 3.92Å; Y68-F446 HydrophobicContact CD2-CB 3.55Å; Y68-F446 AromaticContact CD2-CD2 3.73Å; Y68-F446 HydrophobicContact CD2-CD2 3.73Å; Y68-F446 AromaticContact CD2-CG 3.88Å; Y68-F446 HydrophobicContact CD2-CG 3.88Å; Y68-F446 HydrophobicContact CE2-CB 3.61Å; Y68-F446 AromaticContact CE2-CD2 3.99Å; Y68-F446 HydrophobicContact CE2-CD2 3.99Å; Y68-F446 HydrophobicContact CE2-CG 4.23Å; Y68-F446 HydrophobicContact CG-CB 4.39Å
69N84.3Confident76.6Confident77 Ų7789.6 Ų89.641%0.41244%0.441SS..Hα-helixtrans-59.4-45.3-179.7-79-20.2000112.4K65 Y66 H73K65-N69 WeakPolarHBondContact O-CB 3.33Å; K65-N69 VanDerWaalsContact O-CG 3.29Å; K65-N69 PolarHBondContact O-N 3.14Å; K65-N69 PolarHBondContact O-ND2 3.48Å; Y66-N69 PolarHBondContact O-N 3.39Å; N69-H73 WeakPolarHBondContact O-CB 3.28Å; N69-H73 PolarHBondContact O-N 3.18Å
70N84Confident78.3Confident78 Ų7882.7 Ų82.742%0.41740%0.404SS..Hα-helixtrans-67.7-43.2179.6-78-5.5000112.5Y66 Y68 H73 Y74Y66-N70 WeakPolarHBondContact CE1-ND2 3.44Å; Y66-N70 WeakPolarHBondContact CE2-ND2 3.39Å; Y66-N70 PolarHBondContact O-N 2.74Å; Y66-N70 PolarHBondContact OH-ND2 2.99Å; Y68-N70 PolarHBondContact O-N 3.22Å; N70-H73 PolarHBondContact O-N 3.1Å; N70-Y74 PolarHBondContact O-N 2.85Å
71L74.8Confident80Confident77 Ų7779.2 Ų79.240%0.40338%0.379SS..Hα-helixtrans-72.4-38.1178.3-143.586000111.8L67 Y68 H73 Y74 F75 F446L67-L71 WeakPolarHBondContact O-CB 3.24Å; L67-L71 PolarHBondContact O-N 2.96Å; Y68-L71 PolarHBondContact O-N 3.12Å; L71-H73 VanDerWaalsContact C-N 3.31Å; L71-H73 PolarHBondContact O-N 3.28Å; L71-Y74 PolarHBondContact O-N 2.9Å; L71-F75 WeakPolarHBondContact O-CB 3.43Å; L71-F75 PolarHBondContact O-N 2.9Å; L71-F446 HydrophobicContact CB-CE2 4.38Å; L71-F446 HydrophobicContact CD2-CE2 3.69Å; L71-F446 HydrophobicContact CD2-CZ 3.45Å; L71-F446 VanDerWaalsContact CD2-CZ 3.45Å
72K81Confident81.7Confident46 Ų4678.2 Ų78.220%0.237%0.373CS..Hα-helixtrans-52.4-52.1169.5-179.6-164.6176.2-167.20109.2Y68 L76 V134 N137Y68-K72 HydrophobicContact CD2-CB 4.19Å; Y68-K72 HydrophobicContact CE2-CB 4.05Å; Y68-K72 HydrophobicContact CE2-CD 4.42Å; Y68-K72 HydrophobicContact CE2-CG 4.37Å; Y68-K72 WeakPolarHBondContact O-CA 3.3Å; Y68-K72 WeakPolarHBondContact O-CB 3.47Å; Y68-K72 PolarHBondContact O-N 3.28Å; K72-L76 HydrophobicContact CB-CD1 4.36Å; K72-L76 HydrophobicContact CG-CD1 3.75Å; K72-L76 WeakPolarHBondContact O-CB 3.47Å; K72-L76 WeakPolarHBondContact O-CG 3.46Å; K72-L76 PolarHBondContact O-N 3.41Å; K72-V134 HydrophobicContact CG-CG1 4.31Å; K72-N137 PolarHBondContact NZ-OD1 3.19Å
73H83.2Confident83.2Confident129 Ų12976.7 Ų76.760%0.59736%0.356SS*.Hα-helixtrans-61.2-57.4179.6-172.9-112.8000111.9N69 N70 L71 F75 T77N69-H73 WeakPolarHBondContact O-CB 3.28Å; N69-H73 PolarHBondContact O-N 3.18Å; N70-H73 PolarHBondContact O-N 3.1Å; L71-H73 VanDerWaalsContact C-N 3.31Å; L71-H73 PolarHBondContact O-N 3.28Å; H73-F75 PolarHBondContact O-N 2.8Å; H73-T77 WeakPolarHBondContact O-CB 3.41Å; H73-T77 PolarHBondContact O-N 2.89Å; H73-T77 PolarHBondContact O-OG1 2.84Å
74Y80.5Confident84.5Confident171 Ų17172.6 Ų72.667%0.67133%0.33SS*.Hα-helixtrans-59.2-49.1-177.2-179.9-96.3000113.1N70 L71N70-Y74 PolarHBondContact O-N 2.85Å; L71-Y74 PolarHBondContact O-N 2.9Å
75F79.8Confident85.6Confident32 Ų3273.5 Ų73.514%0.1434%0.339CS..Iπ-helixtrans-72.1-35.5-173.3-175-109.5000112.6L71 H73 Y79 L80 L450 S453L71-F75 WeakPolarHBondContact O-CB 3.43Å; L71-F75 PolarHBondContact O-N 2.9Å; H73-F75 PolarHBondContact O-N 2.8Å; F75-Y79 HydrophobicContact CD1-CD1 4.34Å; F75-Y79 AromaticContact CD2-CD1 3.98Å; F75-Y79 HydrophobicContact CD2-CD1 3.98Å; F75-Y79 HydrophobicContact CD2-CG 4.2Å; F75-Y79 AromaticContact CE1-CD1 3.91Å; F75-Y79 HydrophobicContact CE1-CD1 3.91Å; F75-Y79 AromaticContact CE1-CE1 3.81Å; F75-Y79 HydrophobicContact CE1-CE1 3.81Å; F75-Y79 AromaticContact CE2-CD1 3.51Å; F75-Y79 HydrophobicContact CE2-CD1 3.51Å; F75-Y79 HydrophobicContact CE2-CD2 4.24Å; F75-Y79 AromaticContact CE2-CE1 3.63Å; F75-Y79 HydrophobicContact CE2-CE1 3.63Å; F75-Y79 HydrophobicContact CE2-CE2 4.31Å; F75-Y79 AromaticContact CE2-CG 3.86Å; F75-Y79 HydrophobicContact CE2-CG 3.86Å; F75-Y79 HydrophobicContact CG-CD1 4.37Å; F75-Y79 AromaticContact CZ-CD1 3.47Å; F75-Y79 HydrophobicContact CZ-CD1 3.47Å; F75-Y79 VanDerWaalsContact CZ-CD1 3.47Å; F75-Y79 AromaticContact CZ-CE1 3.2Å; F75-Y79 HydrophobicContact CZ-CE1 3.2Å; F75-Y79 HydrophobicContact CZ-CG 4.27Å; F75-Y79 AromaticContact CZ-CZ 3.78Å; F75-Y79 VanDerWaalsContact O-CB 3.28Å; F75-Y79 WeakPolarHBondContact O-CB 3.36Å; F75-Y79 PolarHBondContact O-N 2.96Å; F75-L80 PolarHBondContact O-N 3.36Å; F75-L450 HydrophobicContact CD1-CD1 4.36Å; F75-L450 HydrophobicContact CE1-CD1 3.68Å; F75-L450 HydrophobicContact CE2-CD1 4.04Å; F75-L450 HydrophobicContact CZ-CD1 3.49Å; F75-L450 VanDerWaalsContact CZ-CD1 3.49Å; F75-S453 WeakPolarHBondContact CE1-OG 3.33Å; F75-S453 VanDerWaalsContact CZ-OG 3.25Å; F75-S453 WeakPolarHBondContact CZ-OG 3.49Å
76L74.7Confident86.5Confident7 Ų772.1 Ų72.14%0.03734%0.337CS..Iπ-helixtrans-99.3-16.5-173.6-56.7158.1000112.7K72 L80 V134 W135K72-L76 HydrophobicContact CB-CD1 4.36Å; K72-L76 HydrophobicContact CG-CD1 3.75Å; K72-L76 WeakPolarHBondContact O-CB 3.47Å; K72-L76 WeakPolarHBondContact O-CG 3.46Å; K72-L76 PolarHBondContact O-N 3.41Å; L76-L80 HydrophobicContact CD2-CB 4.18Å; L76-L80 HydrophobicContact CD2-CD1 4.14Å; L76-L80 HydrophobicContact CD2-CD2 4.35Å; L76-L80 HydrophobicContact CD2-CG 4.45Å; L76-V134 HydrophobicContact CB-CB 4.29Å; L76-V134 HydrophobicContact CB-CG1 3.47Å; L76-V134 VanDerWaalsContact CB-CG1 3.47Å; L76-V134 HydrophobicContact CD1-CB 4.42Å; L76-V134 HydrophobicContact CD1-CG1 3.77Å; L76-V134 HydrophobicContact CD1-CG2 3.87Å; L76-V134 HydrophobicContact CG-CG1 4.18Å; L76-W135 PolarHBondContact O-NE1 3.25Å
77T82.7Confident87.2Confident40 Ų4063.9 Ų63.925%0.24531%0.305CS..Iπ-helixtrans-70.9-42.5168.7-65.60000112.1H73 P81H73-T77 WeakPolarHBondContact O-CB 3.41Å; H73-T77 PolarHBondContact O-N 2.89Å; H73-T77 PolarHBondContact O-OG1 2.84Å; T77-P81 VanDerWaalsContact O-CG 3.31Å; T77-P81 WeakPolarHBondContact O-CG 3.3Å
78W91Very high88.4Confident187 Ų18760.2 Ų60.271%0.70829%0.287SS*.Iπ-helixtrans-110.7-43.8-173.2-70.8106.7000115.7T82W78-T82 WeakPolarHBondContact O-CB 3.3Å; W78-T82 PolarHBondContact O-N 3.47Å; W78-T82 PolarHBondContact O-OG1 3.38Å
79Y93.4Very high89.2Confident56 Ų5663.8 Ų63.822%0.2231%0.311CS..Iπ-helixtrans-74.7-43.7-174.9153.7-80.9000111.8F75 T82 V83 S453 L457F75-Y79 HydrophobicContact CD1-CD1 4.34Å; F75-Y79 AromaticContact CD2-CD1 3.98Å; F75-Y79 HydrophobicContact CD2-CD1 3.98Å; F75-Y79 HydrophobicContact CD2-CG 4.2Å; F75-Y79 AromaticContact CE1-CD1 3.91Å; F75-Y79 HydrophobicContact CE1-CD1 3.91Å; F75-Y79 AromaticContact CE1-CE1 3.81Å; F75-Y79 HydrophobicContact CE1-CE1 3.81Å; F75-Y79 AromaticContact CE2-CD1 3.51Å; F75-Y79 HydrophobicContact CE2-CD1 3.51Å; F75-Y79 HydrophobicContact CE2-CD2 4.24Å; F75-Y79 AromaticContact CE2-CE1 3.63Å; F75-Y79 HydrophobicContact CE2-CE1 3.63Å; F75-Y79 HydrophobicContact CE2-CE2 4.31Å; F75-Y79 AromaticContact CE2-CG 3.86Å; F75-Y79 HydrophobicContact CE2-CG 3.86Å; F75-Y79 HydrophobicContact CG-CD1 4.37Å; F75-Y79 AromaticContact CZ-CD1 3.47Å; F75-Y79 HydrophobicContact CZ-CD1 3.47Å; F75-Y79 VanDerWaalsContact CZ-CD1 3.47Å; F75-Y79 AromaticContact CZ-CE1 3.2Å; F75-Y79 HydrophobicContact CZ-CE1 3.2Å; F75-Y79 HydrophobicContact CZ-CG 4.27Å; F75-Y79 AromaticContact CZ-CZ 3.78Å; F75-Y79 VanDerWaalsContact O-CB 3.28Å; F75-Y79 WeakPolarHBondContact O-CB 3.36Å; F75-Y79 PolarHBondContact O-N 2.96Å; Y79-T82 WeakPolarHBondContact O-CB 3.48Å; Y79-T82 PolarHBondContact O-N 3.36Å; Y79-V83 HydrophobicContact CD1-CG2 4.48Å; Y79-V83 HydrophobicContact CD2-CG2 3.94Å; Y79-V83 HydrophobicContact CE1-CG2 4.22Å; Y79-V83 HydrophobicContact CE2-CG2 3.68Å; Y79-V83 HydrophobicContact CG-CG2 4.34Å; Y79-V83 WeakPolarHBondContact O-CG2 3.4Å; Y79-V83 PolarHBondContact O-N 3.43Å; Y79-S453 PolarHBondContact OH-O 2.93Å; Y79-L457 HydrophobicContact CE2-CD1 4.4Å; Y79-L457 HydrophobicContact CE2-CD2 3.92Å; Y79-L457 HydrophobicContact CE2-CG 4.47Å; Y79-L457 WeakPolarHBondContact OH-CG 3.24Å
80L93.3Very high89.8Confident0 Ų060.2 Ų60.20%029%0.293CS..Hα-helixtrans-61-49.8-177.4-163.886.3000113.5F75 L76 T82 V83 I84 M130 L131 F456F75-L80 PolarHBondContact O-N 3.36Å; L76-L80 HydrophobicContact CD2-CB 4.18Å; L76-L80 HydrophobicContact CD2-CD1 4.14Å; L76-L80 HydrophobicContact CD2-CD2 4.35Å; L76-L80 HydrophobicContact CD2-CG 4.45Å; L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.8Å; L80-V83 PolarHBondContact O-N 3.08Å; L80-I84 HydrophobicContact CD2-CD1 4.16Å; L80-I84 HydrophobicContact CG-CD1 3.94Å; L80-I84 WeakPolarHBondContact O-CD1 3.29Å; L80-I84 VanDerWaalsContact O-CG1 3.28Å; L80-I84 WeakPolarHBondContact O-CG1 3.39Å; L80-I84 PolarHBondContact O-N 3.11Å; L80-M130 HydrophobicContact CD1-CG 4.39Å; L80-M130 HydrophobicContact CD1-SD 3.88Å; L80-M130 HydrophobicContact CD2-CB 4.16Å; L80-M130 HydrophobicContact CD2-CG 4.05Å; L80-L131 HydrophobicContact CD2-CB 3.92Å; L80-L131 HydrophobicContact CD2-CD1 4.18Å; L80-F456 HydrophobicContact CD1-CD2 4.04Å; L80-F456 HydrophobicContact CD1-CE2 4Å
81P95.1Very high90.4Very high17 Ų1756.6 Ų56.611%0.1127%0.274CS..Hα-helixtrans-63.2-37.3176.3-12.623.6000112.1T77 V83 I84 I85 L131 W135T77-P81 VanDerWaalsContact O-CG 3.31Å; T77-P81 WeakPolarHBondContact O-CG 3.3Å; P81-V83 PolarHBondContact O-N 3Å; P81-I84 PolarHBondContact O-N 3.22Å; P81-I85 WeakPolarHBondContact O-CB 3.44Å; P81-I85 VanDerWaalsContact O-CG1 3.24Å; P81-I85 WeakPolarHBondContact O-CG1 3.39Å; P81-I85 PolarHBondContact O-N 3.27Å; P81-L131 HydrophobicContact CB-CD1 4.38Å; P81-L131 HydrophobicContact CG-CD1 3.81Å; P81-W135 HydrophobicContact CB-CZ2 4.27Å; P81-W135 HydrophobicContact CG-CH2 4.03Å; P81-W135 HydrophobicContact CG-CZ2 3.32Å
82T95.8Very high91.4Very high68 Ų6855.9 Ų55.942%0.41727%0.273SS..Hα-helixtrans-61.2-44.6177.4-61.40000111.2W78 Y79 L80 L86W78-T82 WeakPolarHBondContact O-CB 3.3Å; W78-T82 PolarHBondContact O-N 3.47Å; W78-T82 PolarHBondContact O-OG1 3.38Å; Y79-T82 WeakPolarHBondContact O-CB 3.48Å; Y79-T82 PolarHBondContact O-N 3.36Å; L80-T82 VanDerWaalsContact C-N 3.3Å; L80-T82 PolarHBondContact O-N 2.8Å; T82-L86 HydrophobicContact CG2-CD1 3.75Å; T82-L86 HydrophobicContact CG2-CG 4.37Å; T82-L86 VanDerWaalsContact O-CB 3.27Å; T82-L86 WeakPolarHBondContact O-CB 3.44Å; T82-L86 VanDerWaalsContact O-CG 3.26Å; T82-L86 WeakPolarHBondContact O-CG 3.42Å; T82-L86 PolarHBondContact O-N 2.97Å
83V96.5Very high92.1Very high8 Ų856.8 Ų56.85%0.04828%0.276CS..Hα-helixtrans-66.1-41.2176.7172.30000111.6Y79 L80 P81 G87 F456 L457 C460Y79-V83 HydrophobicContact CD1-CG2 4.48Å; Y79-V83 HydrophobicContact CD2-CG2 3.94Å; Y79-V83 HydrophobicContact CE1-CG2 4.22Å; Y79-V83 HydrophobicContact CE2-CG2 3.68Å; Y79-V83 HydrophobicContact CG-CG2 4.34Å; Y79-V83 WeakPolarHBondContact O-CG2 3.4Å; Y79-V83 PolarHBondContact O-N 3.43Å; L80-V83 PolarHBondContact O-N 3.08Å; P81-V83 PolarHBondContact O-N 3Å; V83-G87 WeakPolarHBondContact O-CA 3.29Å; V83-G87 PolarHBondContact O-N 2.65Å; V83-F456 HydrophobicContact CG1-CB 3.72Å; V83-L457 HydrophobicContact CG1-CD2 4.31Å; V83-L457 HydrophobicContact CG2-CD2 3.69Å; V83-C460 HydrophobicContact CG1-CB 3.88Å; V83-C460 PolarHBondContact O-SG 3.34Å; V83-C460 VanDerWaalsContact O-SG 3.4Å
84I97Very high92.6Very high13 Ų1350.7 Ų50.77%0.06725%0.248CC..Hα-helixtrans-64.5-50.9176.9-65.2161000110.8L80 P81 G87 V88 G127 I128 L131L80-I84 HydrophobicContact CD2-CD1 4.16Å; L80-I84 HydrophobicContact CG-CD1 3.94Å; L80-I84 WeakPolarHBondContact O-CD1 3.29Å; L80-I84 VanDerWaalsContact O-CG1 3.28Å; L80-I84 WeakPolarHBondContact O-CG1 3.39Å; L80-I84 PolarHBondContact O-N 3.11Å; P81-I84 PolarHBondContact O-N 3.22Å; I84-G87 PolarHBondContact O-N 3.22Å; I84-V88 HydrophobicContact CG2-CG2 4.25Å; I84-V88 WeakPolarHBondContact O-CB 3.39Å; I84-V88 VanDerWaalsContact O-CG2 3.29Å; I84-V88 WeakPolarHBondContact O-CG2 3.14Å; I84-V88 PolarHBondContact O-N 3.35Å; I84-G127 VanDerWaalsContact CD1-C 3.44Å; I84-G127 WeakPolarHBondContact CD1-O 3.32Å; I84-I128 HydrophobicContact CG2-CG1 4.46Å; I84-L131 HydrophobicContact CD1-CB 3.95Å; I84-L131 HydrophobicContact CD1-CD2 4.2Å; I84-L131 HydrophobicContact CD1-CG 4.49Å
85I97.1Very high93.4Very high107 Ų10743 Ų4355%0.54922%0.219SC..Hα-helixtrans-64.2-50.5-177.2-67.9165.9000110.7P81 G87 V89P81-I85 WeakPolarHBondContact O-CB 3.44Å; P81-I85 VanDerWaalsContact O-CG1 3.24Å; P81-I85 WeakPolarHBondContact O-CG1 3.39Å; P81-I85 PolarHBondContact O-N 3.27Å; I85-G87 VanDerWaalsContact C-N 3.3Å; I85-G87 PolarHBondContact O-N 3.35Å; I85-V89 HydrophobicContact CG2-CG2 4.5Å; I85-V89 VanDerWaalsContact O-CB 3.3Å; I85-V89 WeakPolarHBondContact O-CB 3.38Å; I85-V89 VanDerWaalsContact O-CG2 3.25Å; I85-V89 WeakPolarHBondContact O-CG2 3.2Å; I85-V89 PolarHBondContact O-N 2.86Å
86L97.4Very high94Very high91 Ų9143 Ų4348%0.47622%0.221SC..Hα-helixtrans-63.8-37.2178.5-68.6176.2000112T82 G90 W463T82-L86 HydrophobicContact CG2-CD1 3.75Å; T82-L86 HydrophobicContact CG2-CG 4.37Å; T82-L86 VanDerWaalsContact O-CB 3.27Å; T82-L86 WeakPolarHBondContact O-CB 3.44Å; T82-L86 VanDerWaalsContact O-CG 3.26Å; T82-L86 WeakPolarHBondContact O-CG 3.42Å; T82-L86 PolarHBondContact O-N 2.97Å; L86-G90 WeakPolarHBondContact O-CA 3.4Å; L86-G90 PolarHBondContact O-N 3.05Å; L86-W463 PolarHBondContact O-NE1 3.11Å
87G97.6Very high94.9Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-72.9-44.2179.900000113.3V83 I84 I85 G90 T91 L123 C460V83-G87 WeakPolarHBondContact O-CA 3.29Å; V83-G87 PolarHBondContact O-N 2.65Å; I84-G87 PolarHBondContact O-N 3.22Å; I85-G87 VanDerWaalsContact C-N 3.3Å; I85-G87 PolarHBondContact O-N 3.35Å; G87-G90 PolarHBondContact O-N 2.96Å; G87-T91 VanDerWaalsContact O-CB 3.32Å; G87-T91 WeakPolarHBondContact O-CB 3.14Å; G87-T91 VanDerWaalsContact O-CG2 3.26Å; G87-T91 WeakPolarHBondContact O-CG2 3.35Å; G87-T91 PolarHBondContact O-N 3.29Å; G87-T91 PolarHBondContact O-OG1 3.25Å; G87-L123 VanDerWaalsContact C-CD1 3.43Å; G87-C460 PolarHBondContact N-SG 3.02Å
88V97.8Very high95.3Very high37 Ų3740.8 Ų40.822%0.22421%0.208CC..Hα-helixtrans-67.3-47.2177.4171.50000110.7I84 G90 T91 V92 F120 L123I84-V88 HydrophobicContact CG2-CG2 4.25Å; I84-V88 WeakPolarHBondContact O-CB 3.39Å; I84-V88 VanDerWaalsContact O-CG2 3.29Å; I84-V88 WeakPolarHBondContact O-CG2 3.14Å; I84-V88 PolarHBondContact O-N 3.35Å; V88-G90 VanDerWaalsContact C-N 3.32Å; V88-G90 PolarHBondContact O-N 2.87Å; V88-T91 PolarHBondContact O-OG1 3.46Å; V88-V92 HydrophobicContact CG1-CG2 4.46Å; V88-V92 WeakPolarHBondContact O-CB 3.49Å; V88-V92 VanDerWaalsContact O-CG2 3.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.35Å; V88-V92 PolarHBondContact O-N 2.93Å; V88-F120 HydrophobicContact CG1-CD2 4.44Å; V88-F120 HydrophobicContact CG1-CE2 4.12Å; V88-L123 HydrophobicContact CG2-CB 3.93Å; V88-L123 HydrophobicContact CG2-CD1 4.49Å
89V96.7Very high95.4Very high98 Ų9833.8 Ų33.859%0.59418%0.183SC*.Hα-helixtrans-60.7-44.1175.5172.80000110.6I85 F93I85-V89 HydrophobicContact CG2-CG2 4.5Å; I85-V89 VanDerWaalsContact O-CB 3.3Å; I85-V89 WeakPolarHBondContact O-CB 3.38Å; I85-V89 VanDerWaalsContact O-CG2 3.25Å; I85-V89 WeakPolarHBondContact O-CG2 3.2Å; I85-V89 PolarHBondContact O-N 2.86Å; V89-F93 WeakPolarHBondContact O-CB 3.38Å; V89-F93 PolarHBondContact O-N 2.6Å
90G96.6Very high95.3Very high3 Ų335.6 Ų35.63%0.03120%0.196CC..Hα-helixtrans-67.5-41.7-179.600000114.9L86 G87 V88 C94 W463L86-G90 WeakPolarHBondContact O-CA 3.4Å; L86-G90 PolarHBondContact O-N 3.05Å; G87-G90 PolarHBondContact O-N 2.96Å; V88-G90 VanDerWaalsContact C-N 3.32Å; V88-G90 PolarHBondContact O-N 2.87Å; G90-C94 VanDerWaalsContact O-CB 3.25Å; G90-C94 WeakPolarHBondContact O-CB 3.48Å; G90-C94 PolarHBondContact O-N 3.08Å; G90-W463 VanDerWaalsContact CA-CD1 3.49Å; G90-W463 VanDerWaalsContact CA-CG 3.48Å; G90-W463 WeakPolarHBondContact O-CB 3.42Å
91T96.8Very high94.9Very high2 Ų236 Ų361%0.01220%0.199CC..Hα-helixtrans-70-45177.549.50000111.7G87 V88 C94 L95 D119 L123G87-T91 VanDerWaalsContact O-CB 3.32Å; G87-T91 WeakPolarHBondContact O-CB 3.14Å; G87-T91 VanDerWaalsContact O-CG2 3.26Å; G87-T91 WeakPolarHBondContact O-CG2 3.35Å; G87-T91 PolarHBondContact O-N 3.29Å; G87-T91 PolarHBondContact O-OG1 3.25Å; V88-T91 PolarHBondContact O-OG1 3.46Å; T91-C94 PolarHBondContact O-N 3.44Å; T91-L95 WeakPolarHBondContact O-CG 3.36Å; T91-L95 PolarHBondContact O-N 3.37Å; T91-D119 HydrophobicContact CG2-CB 3.67Å; T91-L123 HydrophobicContact CG2-CD1 4.5Å
92V96.6Very high94.4Very high62 Ų6244.2 Ų44.238%0.37623%0.227SC..Hα-helixtrans-60.2-47.8173.8172.20000110.7V88 C94 L95 V96 F120V88-V92 HydrophobicContact CG1-CG2 4.46Å; V88-V92 WeakPolarHBondContact O-CB 3.49Å; V88-V92 VanDerWaalsContact O-CG2 3.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.35Å; V88-V92 PolarHBondContact O-N 2.93Å; V92-C94 VanDerWaalsContact C-N 3.28Å; V92-C94 PolarHBondContact O-N 3.23Å; V92-L95 PolarHBondContact O-N 3.28Å; V92-V96 WeakPolarHBondContact O-CG2 3.25Å; V92-V96 PolarHBondContact O-N 3.2Å; V92-F120 HydrophobicContact CG2-CD2 3.7Å; V92-F120 HydrophobicContact CG2-CE2 3.63Å
93F94.6Very high93.8Very high64 Ų6444.2 Ų44.228%0.28122%0.224SC..Hα-helixtrans-59.4-38.9175.3173.6-101.3000112.3V89 F97 I477V89-F93 WeakPolarHBondContact O-CB 3.38Å; V89-F93 PolarHBondContact O-N 2.6Å; F93-F97 WeakPolarHBondContact O-CB 2.99Å; F93-F97 PolarHBondContact O-N 3.4Å; F93-I477 HydrophobicContact CE1-CD1 3.55Å; F93-I477 HydrophobicContact CE1-CG1 4.06Å; F93-I477 HydrophobicContact CZ-CB 4.37Å; F93-I477 HydrophobicContact CZ-CD1 3.71Å; F93-I477 HydrophobicContact CZ-CG1 3.7Å; F93-I477 HydrophobicContact CZ-CG2 3.93Å
94C94.8Very high93.3Very high1 Ų145.2 Ų45.21%0.00723%0.228CC..Hα-helixtrans-67.7-45.2176.3-170.90000112.6G90 T91 V92 V96 F97 L98 W463 Y466G90-C94 VanDerWaalsContact O-CB 3.25Å; G90-C94 WeakPolarHBondContact O-CB 3.48Å; G90-C94 PolarHBondContact O-N 3.08Å; T91-C94 PolarHBondContact O-N 3.44Å; V92-C94 VanDerWaalsContact C-N 3.28Å; V92-C94 PolarHBondContact O-N 3.23Å; C94-V96 PolarHBondContact O-N 3.28Å; C94-F97 CarbonylContact O-C 3.6Å; C94-F97 WeakPolarHBondContact O-CB 3.43Å; C94-F97 PolarHBondContact O-N 3.13Å; C94-F97 VanDerWaalsContact O-N 3.15Å; C94-L98 WeakPolarHBondContact O-CB 3.32Å; C94-L98 VanDerWaalsContact O-CG 3.31Å; C94-L98 WeakPolarHBondContact O-CG 3.22Å; C94-L98 PolarHBondContact O-N 2.95Å; C94-W463 HydrophobicContact CB-CB 4.17Å; C94-Y466 WeakPolarHBondContact SG-CD2 3.44Å; C94-Y466 VanDerWaalsContact SG-CE2 3.54Å
95L95.4Very high92.9Very high10 Ų1047.9 Ų47.95%0.05225%0.247CC..Hα-helixtrans-56.1-50.3174.3-74.5168.8000110.6T91 V92 F97 L98 F99 V113 C116T91-L95 WeakPolarHBondContact O-CG 3.36Å; T91-L95 PolarHBondContact O-N 3.37Å; V92-L95 PolarHBondContact O-N 3.28Å; L95-F97 VanDerWaalsContact C-N 3.32Å; L95-F97 PolarHBondContact O-N 2.93Å; L95-L98 PolarHBondContact O-N 3.27Å; L95-L98 VanDerWaalsContact O-N 3.15Å; L95-F99 HydrophobicContact CD2-CE2 4.39Å; L95-F99 WeakPolarHBondContact O-CD2 3.25Å; L95-F99 PolarHBondContact O-N 3.06Å; L95-V113 HydrophobicContact CD2-CG1 4.03Å; L95-C116 HydrophobicContact CD2-CB 3.67Å; L95-C116 HydrophobicContact CG-CB 3.82Å
96V93.6Very high92.6Very high31 Ų3146.6 Ų46.619%0.18824%0.238CC..Hα-helixtrans-56-45.8175.2170.30000111.3V92 C94 L100 F668V92-V96 WeakPolarHBondContact O-CG2 3.25Å; V92-V96 PolarHBondContact O-N 3.2Å; C94-V96 PolarHBondContact O-N 3.28Å; V96-L100 HydrophobicContact CG1-CD1 3.79Å; V96-L100 WeakPolarHBondContact O-CB 3.41Å; V96-L100 VanDerWaalsContact O-CG 3.24Å; V96-L100 WeakPolarHBondContact O-CG 3.29Å; V96-L100 PolarHBondContact O-N 3.12Å; V96-L100 VanDerWaalsContact O-N 3.08Å; V96-F668 HydrophobicContact CB-CE1 4.45Å; V96-F668 HydrophobicContact CB-CZ 4.28Å; V96-F668 HydrophobicContact CG1-CE1 4.1Å; V96-F668 HydrophobicContact CG1-CZ 3.68Å; V96-F668 HydrophobicContact CG2-CD1 4.48Å; V96-F668 HydrophobicContact CG2-CE1 3.63Å; V96-F668 HydrophobicContact CG2-CE2 4.31Å; V96-F668 HydrophobicContact CG2-CZ 3.54Å
97F92.6Very high92.3Very high0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-62.4-44.2176.3-174.9-80.7000112.1F93 C94 L95 L100 S101 F473 R476 I477 M480F93-F97 WeakPolarHBondContact O-CB 2.99Å; F93-F97 PolarHBondContact O-N 3.4Å; C94-F97 CarbonylContact O-C 3.6Å; C94-F97 WeakPolarHBondContact O-CB 3.43Å; C94-F97 PolarHBondContact O-N 3.13Å; C94-F97 VanDerWaalsContact O-N 3.15Å; L95-F97 VanDerWaalsContact C-N 3.32Å; L95-F97 PolarHBondContact O-N 2.93Å; F97-L100 CarbonylContact O-C 3.59Å; F97-L100 PolarHBondContact O-N 3.36Å; F97-S101 VanDerWaalsContact CD1-OG 3.23Å; F97-S101 WeakPolarHBondContact CD1-OG 3.28Å; F97-S101 VanDerWaalsContact CE1-CB 3.46Å; F97-S101 WeakPolarHBondContact CE1-OG 3.42Å; F97-S101 WeakPolarHBondContact O-CB 3.44Å; F97-S101 PolarHBondContact O-N 2.97Å; F97-S101 PolarHBondContact O-OG 2.89Å; F97-F473 AromaticContact CD1-CD2 3.78Å; F97-F473 HydrophobicContact CD1-CD2 3.78Å; F97-F473 AromaticContact CD1-CE2 3.25Å; F97-F473 HydrophobicContact CD1-CE2 3.25Å; F97-F473 AromaticContact CD1-CZ 3.89Å; F97-F473 HydrophobicContact CD1-CZ 3.89Å; F97-F473 AromaticContact CE1-CD2 3.19Å; F97-F473 HydrophobicContact CE1-CD2 3.19Å; F97-F473 AromaticContact CE1-CE2 3.22Å; F97-F473 HydrophobicContact CE1-CE2 3.22Å; F97-F473 HydrophobicContact CE1-CG 4.08Å; F97-F473 HydrophobicContact CE1-CZ 4.14Å; F97-F473 HydrophobicContact CE2-CD2 4.4Å; F97-F473 AromaticContact CG-CE2 3.99Å; F97-F473 HydrophobicContact CG-CE2 3.99Å; F97-F473 HydrophobicContact CG-CZ 4.17Å; F97-F473 AromaticContact CZ-CD2 3.56Å; F97-F473 HydrophobicContact CZ-CD2 3.56Å; F97-F473 AromaticContact CZ-CE2 3.9Å; F97-F473 HydrophobicContact CZ-CE2 3.9Å; F97-F473 AromaticContact CZ-CG 3.99Å; F97-F473 HydrophobicContact CZ-CG 3.99Å; F97-R476 HydrophobicContact CE2-CB 3.61Å; F97-R476 HydrophobicContact CZ-CB 3.76Å; F97-I477 HydrophobicContact CD2-CG1 3.76Å; F97-I477 HydrophobicContact CE2-CG1 3.72Å; F97-M480 HydrophobicContact CD2-CE 4.06Å; F97-M480 HydrophobicContact CD2-SD 3.64Å; F97-M480 HydrophobicContact CE2-CE 4.23Å; F97-M480 HydrophobicContact CE2-SD 4.06Å
98L92.8Very high92.1Very high2 Ų245 Ų451%0.0123%0.229CC..Hα-helixtrans-64.3-42.7-178.1-73.2172.9000111.7C94 L95 S101 F104 L109 L112 V113C94-L98 WeakPolarHBondContact O-CB 3.32Å; C94-L98 VanDerWaalsContact O-CG 3.31Å; C94-L98 WeakPolarHBondContact O-CG 3.22Å; C94-L98 PolarHBondContact O-N 2.95Å; L95-L98 PolarHBondContact O-N 3.27Å; L95-L98 VanDerWaalsContact O-N 3.15Å; L98-S101 PolarHBondContact O-N 3.5Å; L98-F104 HydrophobicContact CD2-CD2 3.75Å; L98-F104 HydrophobicContact CD2-CE2 3.71Å; L98-L109 HydrophobicContact CB-CD1 3.97Å; L98-L109 HydrophobicContact CD2-CD1 3.98Å; L98-L109 HydrophobicContact CG-CD1 4.5Å; L98-L112 HydrophobicContact CD1-CB 4.01Å; L98-L112 HydrophobicContact CD2-CB 4.31Å; L98-L112 HydrophobicContact CD2-CD1 4.36Å; L98-V113 HydrophobicContact CB-CG2 3.93Å; L98-V113 HydrophobicContact CD1-CG2 3.99Å
99F91.8Very high91.9Very high39 Ų3944.8 Ų44.817%0.17123%0.227CC..Hα-helixtrans-67.6-35.8174.3-71.1-65.4000113.1L95 V113 W674L95-F99 HydrophobicContact CD2-CE2 4.39Å; L95-F99 WeakPolarHBondContact O-CD2 3.25Å; L95-F99 PolarHBondContact O-N 3.06Å; F99-V113 HydrophobicContact CE1-CG1 4.42Å; F99-V113 HydrophobicContact CE2-CG1 4.25Å; F99-V113 HydrophobicContact CZ-CG1 3.71Å; F99-V113 HydrophobicContact CZ-CG2 4.47Å; F99-W674 HydrophobicContact CD2-CE3 4.46Å; F99-W674 HydrophobicContact CD2-CZ3 4.29Å; F99-W674 AromaticContact CE2-CE3 3.76Å; F99-W674 HydrophobicContact CE2-CE3 3.76Å; F99-W674 AromaticContact CE2-CZ3 3.52Å; F99-W674 HydrophobicContact CE2-CZ3 3.52Å; F99-W674 HydrophobicContact CZ-CE3 4.01Å; F99-W674 HydrophobicContact CZ-CZ3 4.12Å
100L91.1Very high91.8Very high95 Ų9541.6 Ų41.650%0.49721%0.206SC..Hα-helixtrans-79.9-16.2177.5-66.6176000113.7V96 F97 M480 F673V96-L100 HydrophobicContact CG1-CD1 3.79Å; V96-L100 WeakPolarHBondContact O-CB 3.41Å; V96-L100 VanDerWaalsContact O-CG 3.24Å; V96-L100 WeakPolarHBondContact O-CG 3.29Å; V96-L100 PolarHBondContact O-N 3.12Å; V96-L100 VanDerWaalsContact O-N 3.08Å; F97-L100 CarbonylContact O-C 3.59Å; F97-L100 PolarHBondContact O-N 3.36Å; L100-M480 HydrophobicContact CB-CE 3.68Å; L100-M480 HydrophobicContact CD1-CE 4.1Å; L100-F673 HydrophobicContact CD2-CZ 4.44Å
101S84.9Confident91.8Very high9 Ų941.6 Ų41.66%0.06321%0.205CC..  trans-108.299.4-174.666.30000113.1F97 L98 L103F97-S101 VanDerWaalsContact CD1-OG 3.23Å; F97-S101 WeakPolarHBondContact CD1-OG 3.28Å; F97-S101 VanDerWaalsContact CE1-CB 3.46Å; F97-S101 WeakPolarHBondContact CE1-OG 3.42Å; F97-S101 WeakPolarHBondContact O-CB 3.44Å; F97-S101 PolarHBondContact O-N 2.97Å; F97-S101 PolarHBondContact O-OG 2.89Å; L98-S101 PolarHBondContact O-N 3.5Å; S101-L103 PolarHBondContact O-N 3.27Å
102R84.7Confident91.7Very high189 Ų18941.8 Ų41.871%0.71321%0.206SC*.THydrogen-bonded Turntrans-67.636.4162.5-70.1177.2163.6160.8-7.3113.1A680R102-A680 PolarHBondContact NE-O 3.3Å; R102-A680 PolarHBondContact NH2-O 3.37Å
103L84.1Confident91.7Very high67 Ų6740 Ų4035%0.35120%0.195SC..THydrogen-bonded Turntrans-91.6-33.2-177.1-175.5146.5000112.1S101 L472S101-L103 PolarHBondContact O-N 3.27Å; L103-L472 HydrophobicContact CD1-CB 3.78Å; L103-L472 HydrophobicContact CD1-CD1 4.42Å
104F85.4Confident91.9Very high29 Ų2937.3 Ų37.313%0.12719%0.185CC..SBendtrans-94.2144.3177.2-60.6-72.6000111.2L98 L112 F473L98-F104 HydrophobicContact CD2-CD2 3.75Å; L98-F104 HydrophobicContact CD2-CE2 3.71Å; F104-L112 HydrophobicContact CD1-CD1 4.06Å; F104-L112 HydrophobicContact CD2-CD1 4.12Å; F104-L112 HydrophobicContact CE1-CD1 4.29Å; F104-L112 HydrophobicContact CE2-CD1 4.35Å; F104-L112 HydrophobicContact CG-CD1 3.96Å; F104-L112 HydrophobicContact CZ-CD1 4.43Å; F104-F473 HydrophobicContact CZ-CD2 4.47Å
105P88.8Confident92Very high70 Ų7037.3 Ų37.346%0.45519%0.185SC..  trans-65.4143.317029.6-34.4000109.8N107 M108 L109P105-N107 PolarHBondContact O-N 3.46Å; P105-N107 VanDerWaalsContact O-N 3.14Å; P105-M108 HydrophobicContact CG-CB 4.25Å; P105-M108 HydrophobicContact CG-CG 4.38Å; P105-M108 HydrophobicContact CG-SD 3.57Å; P105-M108 VanDerWaalsContact CG-SD 3.57Å; P105-M108 PolarHBondContact O-N 2.88Å; P105-L109 PolarHBondContact O-N 2.79Å
106Q90.7Very high92.1Very high80 Ų8036.9 Ų36.937%0.37418%0.183SC..Hα-helixtrans-53.7-39.7-173-62.3165.621.300112.5M108 L109 I110 M190 G681Q106-M108 PolarHBondContact O-N 3.03Å; Q106-L109 PolarHBondContact O-N 2.76Å; Q106-I110 PolarHBondContact O-N 2.96Å; Q106-M190 HydrophobicContact CB-CE 3.83Å; Q106-M190 HydrophobicContact CB-SD 3.81Å; Q106-G681 PolarHBondContact NE2-O 3.47Å
107N91.6Very high92.3Very high37 Ų3739.4 Ų39.420%0.19819%0.191CC..Hα-helixtrans-54.1-23175.7-60.864.6000114.5P105 W111 Q172 P188 M190 L193P105-N107 PolarHBondContact O-N 3.46Å; P105-N107 VanDerWaalsContact O-N 3.14Å; N107-W111 VanDerWaalsContact O-CD1 3.26Å; N107-W111 PolarHBondContact O-NE1 2.97Å; N107-Q172 PolarHBondContact O-NE2 2.83Å; N107-Q172 PolarHBondContact O-OE1 3Å; N107-P188 PolarHBondContact ND2-O 3.28Å; N107-M190 HydrophobicContact CB-SD 4.3Å; N107-M190 PolarHBondContact N-SD 2.85Å; N107-L193 HydrophobicContact CB-CD1 3.55Å; N107-L193 VanDerWaalsContact ND2-CD1 3.29Å; N107-L193 WeakPolarHBondContact ND2-CD1 3.39Å
108M92.4Very high92.5Very high19 Ų1939.4 Ų39.49%0.09419%0.191CC..Hα-helixtrans-113.1-26.2179.8-70.7149.7177.700112.2P105 Q106 I110 W111 L112 L169 R173P105-M108 HydrophobicContact CG-CB 4.25Å; P105-M108 HydrophobicContact CG-CG 4.38Å; P105-M108 HydrophobicContact CG-SD 3.57Å; P105-M108 VanDerWaalsContact CG-SD 3.57Å; P105-M108 PolarHBondContact O-N 2.88Å; Q106-M108 PolarHBondContact O-N 3.03Å; M108-I110 VanDerWaalsContact C-N 3.3Å; M108-I110 PolarHBondContact O-N 2.81Å; M108-W111 PolarHBondContact O-N 3.41Å; M108-L112 WeakPolarHBondContact O-CG 3.45Å; M108-L112 PolarHBondContact O-N 3.34Å; M108-L112 VanDerWaalsContact O-N 3.15Å; M108-L169 HydrophobicContact CG-CD1 4.49Å; M108-R173 PolarHBondContact SD-NH2 2.98Å
109L93.5Very high92.8Very high34 Ų3439.4 Ų39.418%0.17819%0.191CC..Hα-helixtrans-58.7-40.7172.4-175.663.5000111.7L98 P105 Q106 W111 L112 V113L98-L109 HydrophobicContact CB-CD1 3.97Å; L98-L109 HydrophobicContact CD2-CD1 3.98Å; L98-L109 HydrophobicContact CG-CD1 4.5Å; P105-L109 PolarHBondContact O-N 2.79Å; Q106-L109 PolarHBondContact O-N 2.76Å; L109-W111 PolarHBondContact O-N 3.08Å; L109-L112 PolarHBondContact O-N 3.17Å; L109-V113 HydrophobicContact CD1-CG2 4Å; L109-V113 HydrophobicContact CG-CG2 4.24Å; L109-V113 WeakPolarHBondContact O-CB 3.38Å; L109-V113 WeakPolarHBondContact O-CG2 3.22Å; L109-V113 PolarHBondContact O-N 3.27Å
110I95.4Very high93.1Very high30 Ų3040.2 Ų40.215%0.15420%0.195CC..Hα-helixtrans-56.1-46.1178-173.3171.4000112.6Q106 M108 S114 F194 W197Q106-I110 PolarHBondContact O-N 2.96Å; M108-I110 VanDerWaalsContact C-N 3.3Å; M108-I110 PolarHBondContact O-N 2.81Å; I110-S114 WeakPolarHBondContact O-CB 3.27Å; I110-S114 PolarHBondContact O-N 3.22Å; I110-S114 PolarHBondContact O-OG 2.83Å; I110-F194 HydrophobicContact CD1-CD2 4.11Å; I110-W197 HydrophobicContact CD1-CB 4.31Å; I110-W197 HydrophobicContact CD1-CD2 4.47Å; I110-W197 HydrophobicContact CD1-CG 4.15Å
111W96.7Very high93.4Very high3 Ų338.4 Ų38.41%0.01118%0.183CC..Hα-helixtrans-71-43178.9-54.9110.7000111.8N107 M108 L109 V113 S114 I115 M165 M168 L169 L193 W197 I200N107-W111 VanDerWaalsContact O-CD1 3.26Å; N107-W111 PolarHBondContact O-NE1 2.97Å; M108-W111 PolarHBondContact O-N 3.41Å; L109-W111 PolarHBondContact O-N 3.08Å; W111-V113 PolarHBondContact O-N 3.3Å; W111-S114 WeakPolarHBondContact O-CB 3.31Å; W111-S114 PolarHBondContact O-N 3.26Å; W111-S114 VanDerWaalsContact O-N 3.15Å; W111-I115 VanDerWaalsContact O-CG1 3.31Å; W111-I115 WeakPolarHBondContact O-CG1 3.45Å; W111-I115 PolarHBondContact O-N 3.33Å; W111-M165 HydrophobicContact CE3-SD 3.51Å; W111-M165 VanDerWaalsContact CE3-SD 3.51Å; W111-M165 HydrophobicContact CZ3-SD 3.54Å; W111-M165 VanDerWaalsContact CZ3-SD 3.54Å; W111-M168 HydrophobicContact CD2-CB 4.32Å; W111-M168 HydrophobicContact CE3-CB 3.81Å; W111-M168 HydrophobicContact CH2-CB 3.77Å; W111-M168 HydrophobicContact CH2-CG 4.13Å; W111-M168 HydrophobicContact CZ2-CB 4.26Å; W111-M168 HydrophobicContact CZ3-CB 3.51Å; W111-M168 HydrophobicContact CZ3-CG 3.99Å; W111-L169 HydrophobicContact CB-CB 3.99Å; W111-L169 HydrophobicContact CB-CD1 4.13Å; W111-L169 HydrophobicContact CB-CG 4.43Å; W111-L169 HydrophobicContact CG-CB 4.4Å; W111-L193 HydrophobicContact CZ2-CD2 4.35Å; W111-W197 HydrophobicContact CH2-CB 4.2Å; W111-W197 HydrophobicContact CZ3-CB 4.37Å; W111-I200 HydrophobicContact CH2-CD1 4.39Å
112L95.2Very high94Very high6 Ų638.3 Ų38.33%0.03118%0.182CC..Hα-helixtrans-60.2-45.8178.1-70.2170000112L98 F104 M108 L109 S114 I115 C116 L169 Y466L98-L112 HydrophobicContact CD1-CB 4.01Å; L98-L112 HydrophobicContact CD2-CB 4.31Å; L98-L112 HydrophobicContact CD2-CD1 4.36Å; F104-L112 HydrophobicContact CD1-CD1 4.06Å; F104-L112 HydrophobicContact CD2-CD1 4.12Å; F104-L112 HydrophobicContact CE1-CD1 4.29Å; F104-L112 HydrophobicContact CE2-CD1 4.35Å; F104-L112 HydrophobicContact CG-CD1 3.96Å; F104-L112 HydrophobicContact CZ-CD1 4.43Å; M108-L112 WeakPolarHBondContact O-CG 3.45Å; M108-L112 PolarHBondContact O-N 3.34Å; M108-L112 VanDerWaalsContact O-N 3.15Å; L109-L112 PolarHBondContact O-N 3.17Å; L112-S114 VanDerWaalsContact C-N 3.32Å; L112-S114 PolarHBondContact O-N 3.47Å; L112-I115 PolarHBondContact O-N 3.45Å; L112-C116 PolarHBondContact O-N 3.42Å; L112-C116 VanDerWaalsContact O-N 3.08Å; L112-C116 PolarHBondContact O-SG 2.9Å; L112-L169 HydrophobicContact CD2-CD2 3.73Å; L112-L169 HydrophobicContact CG-CD2 4.28Å; L112-Y466 HydrophobicContact CD2-CE1 3.59Å; L112-Y466 WeakPolarHBondContact CD2-OH 3.36Å
113V96.4Very high94.7Very high24 Ų2429.3 Ų29.315%0.14515%0.148CC..Hα-helixtrans-64-38.4174.9171.90000111L95 L98 F99 L109 W111 C116 F117L95-V113 HydrophobicContact CD2-CG1 4.03Å; L98-V113 HydrophobicContact CB-CG2 3.93Å; L98-V113 HydrophobicContact CD1-CG2 3.99Å; F99-V113 HydrophobicContact CE1-CG1 4.42Å; F99-V113 HydrophobicContact CE2-CG1 4.25Å; F99-V113 HydrophobicContact CZ-CG1 3.71Å; F99-V113 HydrophobicContact CZ-CG2 4.47Å; L109-V113 HydrophobicContact CD1-CG2 4Å; L109-V113 HydrophobicContact CG-CG2 4.24Å; L109-V113 WeakPolarHBondContact O-CB 3.38Å; L109-V113 WeakPolarHBondContact O-CG2 3.22Å; L109-V113 PolarHBondContact O-N 3.27Å; W111-V113 PolarHBondContact O-N 3.3Å; V113-C116 PolarHBondContact O-N 3.1Å; V113-F117 VanDerWaalsContact O-CB 3.28Å; V113-F117 WeakPolarHBondContact O-CB 3.36Å; V113-F117 PolarHBondContact O-N 3.39Å
114S97.6Very high95.3Very high9 Ų927.6 Ų27.66%0.06314%0.141CC..Hα-helixtrans-66.4-36.1178.1-590000113.3I110 W111 L112 G118 W161 W197I110-S114 WeakPolarHBondContact O-CB 3.27Å; I110-S114 PolarHBondContact O-N 3.22Å; I110-S114 PolarHBondContact O-OG 2.83Å; W111-S114 WeakPolarHBondContact O-CB 3.31Å; W111-S114 PolarHBondContact O-N 3.26Å; W111-S114 VanDerWaalsContact O-N 3.15Å; L112-S114 VanDerWaalsContact C-N 3.32Å; L112-S114 PolarHBondContact O-N 3.47Å; S114-G118 PolarHBondContact O-N 3.31Å; S114-G118 VanDerWaalsContact O-N 3.07Å; S114-W161 PolarHBondContact O-NE1 2.87Å; S114-W197 PolarHBondContact OG-NE1 3.47Å
115I97.4Very high95.9Very high0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-65.8-54.3173.5-66.8161.6000109.4W111 L112 F117 G118 D119 M165 Q166 L169W111-I115 VanDerWaalsContact O-CG1 3.31Å; W111-I115 WeakPolarHBondContact O-CG1 3.45Å; W111-I115 PolarHBondContact O-N 3.33Å; L112-I115 PolarHBondContact O-N 3.45Å; I115-F117 PolarHBondContact O-N 3.3Å; I115-G118 PolarHBondContact O-N 3.39Å; I115-D119 WeakPolarHBondContact CG2-OD2 3.38Å; I115-D119 WeakPolarHBondContact O-CB 3.42Å; I115-D119 PolarHBondContact O-N 2.74Å; I115-M165 HydrophobicContact CG1-CB 3.76Å; I115-Q166 HydrophobicContact CD1-CB 4.13Å; I115-Q166 HydrophobicContact CG1-CB 4.44Å; I115-L169 HydrophobicContact CD1-CB 4.48Å; I115-L169 HydrophobicContact CD1-CD2 3.74Å
116C97.4Very high96.2Very high2 Ų224.6 Ų24.61%0.01412%0.123CC..Hα-helixtrans-62.3-27.6-179.3-60.10000113.7L95 L112 V113 F120L95-C116 HydrophobicContact CD2-CB 3.67Å; L95-C116 HydrophobicContact CG-CB 3.82Å; L112-C116 PolarHBondContact O-N 3.42Å; L112-C116 VanDerWaalsContact O-N 3.08Å; L112-C116 PolarHBondContact O-SG 2.9Å; V113-C116 PolarHBondContact O-N 3.1Å; C116-F120 WeakPolarHBondContact O-CB 3.4Å; C116-F120 PolarHBondContact O-N 3.1Å; C116-F120 VanDerWaalsContact O-N 3.14Å
117F97.5Very high96.5Very high84 Ų8420.8 Ų20.837%0.36811%0.105SC..Hα-helixtrans-69.3-49.9171-172.5-93.2000111.3V113 I115 D119 F120 F121 F158V113-F117 VanDerWaalsContact O-CB 3.28Å; V113-F117 WeakPolarHBondContact O-CB 3.36Å; V113-F117 PolarHBondContact O-N 3.39Å; I115-F117 PolarHBondContact O-N 3.3Å; F117-D119 PolarHBondContact O-N 2.86Å; F117-F120 PolarHBondContact O-N 2.88Å; F117-F121 AromaticContact CD1-CD2 3.99Å; F117-F121 HydrophobicContact CD1-CD2 3.99Å; F117-F121 HydrophobicContact CD1-CE2 4.19Å; F117-F121 HydrophobicContact CD2-CE2 4.18Å; F117-F121 AromaticContact CE1-CD2 3.81Å; F117-F121 HydrophobicContact CE1-CD2 3.81Å; F117-F121 AromaticContact CE1-CE2 3.67Å; F117-F121 HydrophobicContact CE1-CE2 3.67Å; F117-F121 HydrophobicContact CE2-CD2 4.38Å; F117-F121 AromaticContact CE2-CE2 3.67Å; F117-F121 HydrophobicContact CE2-CE2 3.67Å; F117-F121 HydrophobicContact CG-CD2 4.36Å; F117-F121 HydrophobicContact CG-CE2 4.43Å; F117-F121 HydrophobicContact CZ-CD2 4.03Å; F117-F121 AromaticContact CZ-CE2 3.4Å; F117-F121 HydrophobicContact CZ-CE2 3.4Å; F117-F121 HydrophobicContact CZ-CZ 4.24Å; F117-F121 WeakPolarHBondContact O-CD2 3.41Å; F117-F121 PolarHBondContact O-N 3.43Å; F117-F121 VanDerWaalsContact O-N 3.1Å; F117-F158 AromaticContact CD1-CE1 3.98Å; F117-F158 HydrophobicContact CD1-CE1 3.98Å; F117-F158 AromaticContact CE1-CE1 3.76Å; F117-F158 HydrophobicContact CE1-CE1 3.76Å; F117-F158 HydrophobicContact CE1-CZ 4.02Å
118G97.8Very high96.7Very high0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-58.4-47.1175.200000112.6S114 I115 F120 F121 I122S114-G118 PolarHBondContact O-N 3.31Å; S114-G118 VanDerWaalsContact O-N 3.07Å; I115-G118 PolarHBondContact O-N 3.39Å; G118-F120 VanDerWaalsContact C-N 3.34Å; G118-F120 PolarHBondContact O-N 2.85Å; G118-F121 PolarHBondContact O-N 2.77Å; G118-F121 VanDerWaalsContact O-N 3.16Å; G118-I122 VanDerWaalsContact O-CG1 3.3Å; G118-I122 WeakPolarHBondContact O-CG1 3Å; G118-I122 PolarHBondContact O-N 2.85Å
119D97.9Very high96.9Very high1 Ų121.9 Ų21.91%0.00511%0.11CC..Hα-helixtrans-58.2-42.9177.2-66.2-14.3000112.5T91 I115 F117 L123 S162 A459 N462T91-D119 HydrophobicContact CG2-CB 3.67Å; I115-D119 WeakPolarHBondContact CG2-OD2 3.38Å; I115-D119 WeakPolarHBondContact O-CB 3.42Å; I115-D119 PolarHBondContact O-N 2.74Å; F117-D119 PolarHBondContact O-N 2.86Å; D119-L123 WeakPolarHBondContact O-CG 3.36Å; D119-L123 PolarHBondContact O-N 3.24Å; D119-L123 VanDerWaalsContact O-N 3.15Å; D119-S162 PolarHBondContact OD1-OG 2.79Å; D119-A459 HydrophobicContact CB-CB 3.71Å; D119-N462 PolarHBondContact OD2-ND2 2.95Å
120F98.1Very high96.9Very high56 Ų5620.2 Ų20.225%0.24610%0.101CC..Hα-helixtrans-61.7-43.8175.3171.1-95.2000111.8V88 V92 C116 F117 G118 S124V88-F120 HydrophobicContact CG1-CD2 4.44Å; V88-F120 HydrophobicContact CG1-CE2 4.12Å; V92-F120 HydrophobicContact CG2-CD2 3.7Å; V92-F120 HydrophobicContact CG2-CE2 3.63Å; C116-F120 WeakPolarHBondContact O-CB 3.4Å; C116-F120 PolarHBondContact O-N 3.1Å; C116-F120 VanDerWaalsContact O-N 3.14Å; F117-F120 PolarHBondContact O-N 2.88Å; G118-F120 VanDerWaalsContact C-N 3.34Å; G118-F120 PolarHBondContact O-N 2.85Å; F120-S124 VanDerWaalsContact O-CB 3.24Å; F120-S124 WeakPolarHBondContact O-CB 3.38Å; F120-S124 PolarHBondContact O-N 3.48Å; F120-S124 PolarHBondContact O-OG 3.16Å
121F98.3Very high96.8Very high57 Ų5720.2 Ų20.225%0.2510%0.101CC..Hα-helixtrans-71.6-38.9178.6-85.5-80.7000113F117 G118 L123 S124 L125 F158F117-F121 AromaticContact CD1-CD2 3.99Å; F117-F121 HydrophobicContact CD1-CD2 3.99Å; F117-F121 HydrophobicContact CD1-CE2 4.19Å; F117-F121 HydrophobicContact CD2-CE2 4.18Å; F117-F121 AromaticContact CE1-CD2 3.81Å; F117-F121 HydrophobicContact CE1-CD2 3.81Å; F117-F121 AromaticContact CE1-CE2 3.67Å; F117-F121 HydrophobicContact CE1-CE2 3.67Å; F117-F121 HydrophobicContact CE2-CD2 4.38Å; F117-F121 AromaticContact CE2-CE2 3.67Å; F117-F121 HydrophobicContact CE2-CE2 3.67Å; F117-F121 HydrophobicContact CG-CD2 4.36Å; F117-F121 HydrophobicContact CG-CE2 4.43Å; F117-F121 HydrophobicContact CZ-CD2 4.03Å; F117-F121 AromaticContact CZ-CE2 3.4Å; F117-F121 HydrophobicContact CZ-CE2 3.4Å; F117-F121 HydrophobicContact CZ-CZ 4.24Å; F117-F121 WeakPolarHBondContact O-CD2 3.41Å; F117-F121 PolarHBondContact O-N 3.43Å; F117-F121 VanDerWaalsContact O-N 3.1Å; G118-F121 PolarHBondContact O-N 2.77Å; G118-F121 VanDerWaalsContact O-N 3.16Å; F121-L123 VanDerWaalsContact C-N 3.32Å; F121-L123 PolarHBondContact O-N 3.26Å; F121-S124 PolarHBondContact O-N 3.37Å; F121-L125 HydrophobicContact CB-CD1 4.16Å; F121-L125 HydrophobicContact CD1-CD1 4.08Å; F121-L125 HydrophobicContact CD1-CG 4.46Å; F121-L125 VanDerWaalsContact O-CB 3.26Å; F121-L125 WeakPolarHBondContact O-CB 3.38Å; F121-L125 WeakPolarHBondContact O-CD1 3.48Å; F121-L125 WeakPolarHBondContact O-CG 3.27Å; F121-L125 PolarHBondContact O-N 3.38Å; F121-F158 HydrophobicContact CB-CB 4.21Å; F121-F158 HydrophobicContact CB-CD1 3.94Å; F121-F158 HydrophobicContact CB-CD2 3.46Å; F121-F158 VanDerWaalsContact CB-CD2 3.46Å; F121-F158 HydrophobicContact CB-CE1 4.15Å; F121-F158 HydrophobicContact CB-CE2 3.67Å; F121-F158 HydrophobicContact CB-CG 3.59Å; F121-F158 HydrophobicContact CB-CZ 4.02Å; F121-F158 HydrophobicContact CD1-CD2 4.23Å; F121-F158 AromaticContact CD1-CE2 3.69Å; F121-F158 HydrophobicContact CD1-CE2 3.69Å; F121-F158 HydrophobicContact CD1-CZ 4.11Å; F121-F158 HydrophobicContact CD2-CE1 4.11Å; F121-F158 HydrophobicContact CD2-CE2 4.21Å; F121-F158 AromaticContact CD2-CZ 3.85Å; F121-F158 HydrophobicContact CD2-CZ 3.85Å; F121-F158 HydrophobicContact CE1-CE2 4.4Å; F121-F158 HydrophobicContact CE2-CZ 4.4Å; F121-F158 HydrophobicContact CG-CD1 4.45Å; F121-F158 AromaticContact CG-CD2 3.93Å; F121-F158 HydrophobicContact CG-CD2 3.93Å; F121-F158 HydrophobicContact CG-CE1 4.16Å; F121-F158 AromaticContact CG-CE2 3.57Å; F121-F158 HydrophobicContact CG-CE2 3.57Å; F121-F158 HydrophobicContact CG-CG 4.36Å; F121-F158 AromaticContact CG-CZ 3.7Å; F121-F158 HydrophobicContact CG-CZ 3.7Å
122I97.9Very high96.7Very high7 Ų722 Ų224%0.03611%0.111CC..Hα-helixtrans-54.2-50.1172.9-70.5163.6000110.3G118 E126 G127 F158 F159 F456G118-I122 VanDerWaalsContact O-CG1 3.3Å; G118-I122 WeakPolarHBondContact O-CG1 3Å; G118-I122 PolarHBondContact O-N 2.85Å; I122-E126 WeakPolarHBondContact O-CB 3.29Å; I122-E126 PolarHBondContact O-N 2.9Å; I122-G127 PolarHBondContact O-N 2.85Å; I122-F158 HydrophobicContact CG1-CB 4.07Å; I122-F159 HydrophobicContact CD1-CD1 4.11Å; I122-F159 HydrophobicContact CD1-CE1 4.46Å; I122-F159 HydrophobicContact CD1-CG 4.31Å; I122-F159 HydrophobicContact CG1-CD1 4.42Å; I122-F159 HydrophobicContact CG1-CD2 4.29Å; I122-F159 HydrophobicContact CG1-CG 4.24Å; I122-F159 HydrophobicContact CG2-CD1 4.46Å; I122-F159 HydrophobicContact CG2-CD2 4.38Å; I122-F159 HydrophobicContact CG2-CE1 3.9Å; I122-F159 HydrophobicContact CG2-CE2 3.81Å; I122-F159 HydrophobicContact CG2-CZ 3.55Å; I122-F456 HydrophobicContact CG2-CD1 3.8Å; I122-F456 HydrophobicContact CG2-CE1 3.92Å
123L97.8Very high96.6Very high0 Ų023.8 Ų23.80%012%0.118CC..Iπ-helixtrans-69.1-39-179.6-66.1169.2000112.6G87 V88 T91 D119 F121 G127 I128 F456 A459G87-L123 VanDerWaalsContact C-CD1 3.43Å; V88-L123 HydrophobicContact CG2-CB 3.93Å; V88-L123 HydrophobicContact CG2-CD1 4.49Å; T91-L123 HydrophobicContact CG2-CD1 4.5Å; D119-L123 WeakPolarHBondContact O-CG 3.36Å; D119-L123 PolarHBondContact O-N 3.24Å; D119-L123 VanDerWaalsContact O-N 3.15Å; F121-L123 VanDerWaalsContact C-N 3.32Å; F121-L123 PolarHBondContact O-N 3.26Å; L123-G127 VanDerWaalsContact O-CA 3.23Å; L123-G127 WeakPolarHBondContact O-CA 3.27Å; L123-G127 PolarHBondContact O-N 3.5Å; L123-I128 PolarHBondContact O-N 3.09Å; L123-F456 HydrophobicContact CD2-CB 3.94Å; L123-F456 HydrophobicContact CD2-CD1 4.43Å; L123-F456 HydrophobicContact CD2-CG 4.29Å; L123-A459 HydrophobicContact CD1-CB 3.96Å; L123-A459 HydrophobicContact CD2-CB 4.28Å; L123-A459 HydrophobicContact CG-CB 3.94Å
124S97.2Very high96.1Very high31 Ų3123.5 Ų23.522%0.21712%0.117CC..Iπ-helixtrans-73.8-25.7-178.8-57.50000113.6F120 F121 I128F120-S124 VanDerWaalsContact O-CB 3.24Å; F120-S124 WeakPolarHBondContact O-CB 3.38Å; F120-S124 PolarHBondContact O-N 3.48Å; F120-S124 PolarHBondContact O-OG 3.16Å; F121-S124 PolarHBondContact O-N 3.37Å; S124-I128 WeakPolarHBondContact O-CB 3.49Å; S124-I128 WeakPolarHBondContact O-CD1 3.43Å; S124-I128 WeakPolarHBondContact O-CG1 3.27Å
125L97.3Very high95.8Very high36 Ų3628.4 Ų28.419%0.18813%0.134CC..Iπ-helixtrans-96.7-66.6179.4-62.1163.8000110.3F121 W129 H151 L154 F158F121-L125 HydrophobicContact CB-CD1 4.16Å; F121-L125 HydrophobicContact CD1-CD1 4.08Å; F121-L125 HydrophobicContact CD1-CG 4.46Å; F121-L125 VanDerWaalsContact O-CB 3.26Å; F121-L125 WeakPolarHBondContact O-CB 3.38Å; F121-L125 WeakPolarHBondContact O-CD1 3.48Å; F121-L125 WeakPolarHBondContact O-CG 3.27Å; F121-L125 PolarHBondContact O-N 3.38Å; L125-W129 WeakPolarHBondContact O-CB 3.41Å; L125-W129 PolarHBondContact O-N 3.44Å; L125-H151 PolarHBondContact O-NE2 2.8Å; L125-L154 HydrophobicContact CD1-CD2 3.3Å; L125-L154 HydrophobicContact CD2-CD2 4.16Å; L125-L154 HydrophobicContact CG-CD2 4.38Å; L125-F158 HydrophobicContact CD1-CD2 3.83Å; L125-F158 HydrophobicContact CD1-CE2 4.33Å
126E96.8Very high95.6Very high1 Ų135.9 Ų35.91%0.00516%0.163CC..Iπ-helixtrans-80.4-33.8-172.6-66.8-107.7132.500112.8I122 M130 R141 H151 S155 F159 R452 F456I122-E126 WeakPolarHBondContact O-CB 3.29Å; I122-E126 PolarHBondContact O-N 2.9Å; E126-M130 WeakPolarHBondContact O-CB 3.43Å; E126-M130 PolarHBondContact O-N 3.11Å; E126-R141 IonicContact OE1-NH2 3.72Å; E126-R141 PolarHBondContact OE1-NH2 3.44Å; E126-H151 WeakPolarHBondContact CG-NE2 3.12Å; E126-H151 IonicContact OE1-CE1 3.87Å; E126-H151 IonicContact OE1-NE2 2.6Å; E126-H151 PolarHBondContact OE1-NE2 3.46Å; E126-S155 VanDerWaalsContact CG-CB 3.4Å; E126-S155 VanDerWaalsContact OE1-CB 3.28Å; E126-S155 WeakPolarHBondContact OE1-CB 3.36Å; E126-S155 PolarHBondContact OE1-OG 2.99Å; E126-F159 HydrophobicContact CB-CE2 4.2Å; E126-F159 HydrophobicContact CG-CD2 4.46Å; E126-F159 HydrophobicContact CG-CE2 3.86Å; E126-R452 IonicContact OE1-NH2 2.87Å; E126-R452 IonicContact OE2-CZ 3.23Å; E126-R452 VanDerWaalsContact OE2-CZ 3.22Å; E126-R452 IonicContact OE2-NE 2.67Å; E126-R452 PolarHBondContact OE2-NE 3.02Å; E126-R452 IonicContact OE2-NH2 2.79Å; E126-R452 PolarHBondContact OE2-NH2 3.23Å; E126-F456 HydrophobicContact CB-CE1 3.71Å; E126-F456 HydrophobicContact CB-CZ 3.71Å
127G96.2Very high95.3Very high0 Ų041.5 Ų41.50%019%0.193CC..Iπ-helixtrans-62.1-54.4173.200000110.9I84 I122 L123 M130 L131I84-G127 VanDerWaalsContact CD1-C 3.44Å; I84-G127 WeakPolarHBondContact CD1-O 3.32Å; I122-G127 PolarHBondContact O-N 2.85Å; L123-G127 VanDerWaalsContact O-CA 3.23Å; L123-G127 WeakPolarHBondContact O-CA 3.27Å; L123-G127 PolarHBondContact O-N 3.5Å; G127-M130 PolarHBondContact O-N 3.2Å; G127-L131 WeakPolarHBondContact O-CB 3.38Å; G127-L131 PolarHBondContact O-N 3.48Å
128I96Very high95.1Very high69 Ų6942.7 Ų42.735%0.35420%0.196SC..Hα-helixtrans-65-39.9179-57.5-174.6000111.7I84 L123 S124 L131 L132I84-I128 HydrophobicContact CG2-CG1 4.46Å; L123-I128 PolarHBondContact O-N 3.09Å; S124-I128 WeakPolarHBondContact O-CB 3.49Å; S124-I128 WeakPolarHBondContact O-CD1 3.43Å; S124-I128 WeakPolarHBondContact O-CG1 3.27Å; I128-L131 WeakPolarHBondContact O-CB 3.41Å; I128-L131 PolarHBondContact O-N 3.18Å; I128-L132 HydrophobicContact CG2-CD1 3.95Å; I128-L132 HydrophobicContact CG2-CG 4.4Å; I128-L132 VanDerWaalsContact O-CG 3.32Å; I128-L132 WeakPolarHBondContact O-CG 3.18Å; I128-L132 PolarHBondContact O-N 2.76Å
129W96.3Very high95Very high9 Ų943.1 Ų43.13%0.03420%0.198CC..Hα-helixtrans-59.6-49.1173.4167.677.4000112.6L125 L131 L132 K133 D139 H151 Y449L125-W129 WeakPolarHBondContact O-CB 3.41Å; L125-W129 PolarHBondContact O-N 3.44Å; W129-L131 VanDerWaalsContact C-N 3.29Å; W129-L131 PolarHBondContact O-N 2.78Å; W129-L132 PolarHBondContact O-N 3.43Å; W129-K133 HydrophobicContact CZ2-CD 3.85Å; W129-K133 WeakPolarHBondContact O-CB 3.28Å; W129-K133 PolarHBondContact O-N 2.76Å; W129-D139 VanDerWaalsContact CD1-OD1 3.29Å; W129-D139 PolarHBondContact NE1-OD1 2.91Å; W129-D139 PolarHBondContact NE1-OD2 2.87Å; W129-H151 AromaticContact CG-NE2 3.74Å; W129-Y449 HydrophobicContact CH2-CE1 4.04Å; W129-Y449 HydrophobicContact CZ3-CE1 4.35Å
130M94.2Very high94.9Very high0 Ų045.5 Ų45.50%021%0.21CC..Hα-helixtrans-66.1-33.6179-170.7177.3-57.400111.6L80 E126 G127 V134 Y449 R452 F456L80-M130 HydrophobicContact CD1-CG 4.39Å; L80-M130 HydrophobicContact CD1-SD 3.88Å; L80-M130 HydrophobicContact CD2-CB 4.16Å; L80-M130 HydrophobicContact CD2-CG 4.05Å; E126-M130 WeakPolarHBondContact O-CB 3.43Å; E126-M130 PolarHBondContact O-N 3.11Å; G127-M130 PolarHBondContact O-N 3.2Å; M130-V134 HydrophobicContact CG-CG2 4.49Å; M130-V134 WeakPolarHBondContact O-CB 3.45Å; M130-V134 WeakPolarHBondContact O-CG2 3.48Å; M130-V134 PolarHBondContact O-N 3.38Å; M130-Y449 HydrophobicContact CE-CD1 3.95Å; M130-Y449 HydrophobicContact CG-CD1 4.28Å; M130-Y449 HydrophobicContact SD-CD1 4.15Å; M130-R452 HydrophobicContact CE-CB 4.06Å; M130-R452 HydrophobicContact CE-CG 3.79Å; M130-F456 HydrophobicContact CE-CE2 3.82Å; M130-F456 HydrophobicContact CE-CZ 3.86Å; M130-F456 HydrophobicContact SD-CE2 3.91Å
131L93.4Very high94.8Very high29 Ų2944 Ų4415%0.15220%0.203CC..Hα-helixtrans-61.7-50.4172.4-176.668.2000110.8L80 P81 I84 G127 I128 W129 V134 W135L80-L131 HydrophobicContact CD2-CB 3.92Å; L80-L131 HydrophobicContact CD2-CD1 4.18Å; P81-L131 HydrophobicContact CB-CD1 4.38Å; P81-L131 HydrophobicContact CG-CD1 3.81Å; I84-L131 HydrophobicContact CD1-CB 3.95Å; I84-L131 HydrophobicContact CD1-CD2 4.2Å; I84-L131 HydrophobicContact CD1-CG 4.49Å; G127-L131 WeakPolarHBondContact O-CB 3.38Å; G127-L131 PolarHBondContact O-N 3.48Å; I128-L131 WeakPolarHBondContact O-CB 3.41Å; I128-L131 PolarHBondContact O-N 3.18Å; W129-L131 VanDerWaalsContact C-N 3.29Å; W129-L131 PolarHBondContact O-N 2.78Å; L131-V134 PolarHBondContact O-N 3.32Å; L131-W135 HydrophobicContact CD1-CD2 3.62Å; L131-W135 HydrophobicContact CD1-CE3 4.18Å; L131-W135 HydrophobicContact CD1-CG 3.94Å; L131-W135 HydrophobicContact CD1-CZ2 4.05Å; L131-W135 HydrophobicContact CG-CD2 4.24Å; L131-W135 HydrophobicContact CG-CE3 4.48Å; L131-W135 HydrophobicContact CG-CG 4.46Å; L131-W135 VanDerWaalsContact O-CB 3.3Å; L131-W135 WeakPolarHBondContact O-CB 3.35Å; L131-W135 PolarHBondContact O-N 3.02Å
132L94.4Very high94.7Very high42 Ų4243.2 Ų43.222%0.2220%0.201CC..Hα-helixtrans-66.2-43.8-179.3-68.4169.1000112.6I128 W129 V134 Y136 Y138 I140I128-L132 HydrophobicContact CG2-CD1 3.95Å; I128-L132 HydrophobicContact CG2-CG 4.4Å; I128-L132 VanDerWaalsContact O-CG 3.32Å; I128-L132 WeakPolarHBondContact O-CG 3.18Å; I128-L132 PolarHBondContact O-N 2.76Å; W129-L132 PolarHBondContact O-N 3.43Å; L132-V134 PolarHBondContact O-N 2.91Å; L132-Y136 HydrophobicContact CD2-CD2 3.68Å; L132-Y136 HydrophobicContact CD2-CE2 3.84Å; L132-Y136 PolarHBondContact O-N 3.28Å; L132-Y136 VanDerWaalsContact O-N 3.09Å; L132-Y138 CarbonylContact C-O 3.49Å; L132-Y138 PolarHBondContact O-N 3.43Å; L132-I140 HydrophobicContact CD1-CD1 3.43Å; L132-I140 VanDerWaalsContact CD1-CD1 3.43Å; L132-I140 HydrophobicContact CD1-CG1 4.13Å
133K92Very high94.6Very high42 Ų4247 Ų4718%0.18322%0.222CC..Hα-helixtrans-64-21.5177.5-170.4162.1-157.9155.60112.8W129 N137 Y138 D139 D142 D221W129-K133 HydrophobicContact CZ2-CD 3.85Å; W129-K133 WeakPolarHBondContact O-CB 3.28Å; W129-K133 PolarHBondContact O-N 2.76Å; K133-N137 WeakPolarHBondContact O-CA 3.2Å; K133-Y138 WeakPolarHBondContact CA-O 3.37Å; K133-Y138 PolarHBondContact N-O 2.95Å; K133-D139 HydrophobicContact CD-CB 3.92Å; K133-D139 VanDerWaalsContact CD-OD2 3.23Å; K133-D139 WeakPolarHBondContact CD-OD2 3.48Å; K133-D139 WeakPolarHBondContact CE-OD2 3.24Å; K133-D139 HydrophobicContact CG-CB 4.31Å; K133-D139 IonicContact NZ-OD2 3.79Å; K133-D139 PolarHBondContact NZ-OD2 3.5Å; K133-D142 IonicContact NZ-OD2 3.95Å; K133-D221 IonicContact NZ-OD1 2.76Å
134V87.1Confident94.5Very high19 Ų1950.9 Ų50.912%0.11524%0.242CC..Hα-helixtrans-100.9-43.6179.6178.20000113.2K72 L76 M130 L131 L132K72-V134 HydrophobicContact CG-CG1 4.31Å; L76-V134 HydrophobicContact CB-CB 4.29Å; L76-V134 HydrophobicContact CB-CG1 3.47Å; L76-V134 VanDerWaalsContact CB-CG1 3.47Å; L76-V134 HydrophobicContact CD1-CB 4.42Å; L76-V134 HydrophobicContact CD1-CG1 3.77Å; L76-V134 HydrophobicContact CD1-CG2 3.87Å; L76-V134 HydrophobicContact CG-CG1 4.18Å; M130-V134 HydrophobicContact CG-CG2 4.49Å; M130-V134 WeakPolarHBondContact O-CB 3.45Å; M130-V134 WeakPolarHBondContact O-CG2 3.48Å; M130-V134 PolarHBondContact O-N 3.38Å; L131-V134 PolarHBondContact O-N 3.32Å; L132-V134 PolarHBondContact O-N 2.91Å
135W90.8Very high94.5Very high112 Ų11253 Ų5342%0.42425%0.252SS..Hα-helixtrans-73.1-42.3-178.3-80.619.1000113L76 P81 L131L76-W135 PolarHBondContact O-NE1 3.25Å; P81-W135 HydrophobicContact CB-CZ2 4.27Å; P81-W135 HydrophobicContact CG-CH2 4.03Å; P81-W135 HydrophobicContact CG-CZ2 3.32Å; L131-W135 HydrophobicContact CD1-CD2 3.62Å; L131-W135 HydrophobicContact CD1-CE3 4.18Å; L131-W135 HydrophobicContact CD1-CG 3.94Å; L131-W135 HydrophobicContact CD1-CZ2 4.05Å; L131-W135 HydrophobicContact CG-CD2 4.24Å; L131-W135 HydrophobicContact CG-CE3 4.48Å; L131-W135 HydrophobicContact CG-CG 4.46Å; L131-W135 VanDerWaalsContact O-CB 3.3Å; L131-W135 WeakPolarHBondContact O-CB 3.35Å; L131-W135 PolarHBondContact O-N 3.02Å
136Y92.7Very high94.6Very high157 Ų15757.6 Ų57.662%0.61627%0.27SS*.SBendtrans-1090.8-175.2-57.2-78.9000112.7L132 Y138L132-Y136 HydrophobicContact CD2-CD2 3.68Å; L132-Y136 HydrophobicContact CD2-CE2 3.84Å; L132-Y136 PolarHBondContact O-N 3.28Å; L132-Y136 VanDerWaalsContact O-N 3.09Å; Y136-Y138 PolarHBondContact O-N 3.09Å; Y136-Y138 VanDerWaalsContact O-N 3.15Å
137N91.2Very high94.6Very high119 Ų11960.3 Ų60.364%0.63628%0.284SS*.SBendtrans49.729-165.5-57.2-72.5000113K72 K133K72-N137 PolarHBondContact NZ-OD1 3.19Å; K133-N137 WeakPolarHBondContact O-CA 3.2Å
138Y94.7Very high94.7Very high110 Ų11060.3 Ų60.343%0.43128%0.284SS..  trans-111.8113.3-174177.1-107.2000110.7L132 K133 Y136 I140 N143L132-Y138 CarbonylContact C-O 3.49Å; L132-Y138 PolarHBondContact O-N 3.43Å; K133-Y138 WeakPolarHBondContact CA-O 3.37Å; K133-Y138 PolarHBondContact N-O 2.95Å; Y136-Y138 PolarHBondContact O-N 3.09Å; Y136-Y138 VanDerWaalsContact O-N 3.15Å; Y138-I140 HydrophobicContact CE1-CG1 4.08Å; Y138-N143 VanDerWaalsContact OH-CG 3.26Å; Y138-N143 PolarHBondContact OH-ND2 3.37Å; Y138-N143 PolarHBondContact OH-OD1 2.89Å
139D95.4Very high94.7Very high8 Ų858.3 Ų58.34%0.04328%0.275CS..  trans-93.1127.2171.8-165.8-28.7000110.6W129 K133 R141 D142 N143W129-D139 VanDerWaalsContact CD1-OD1 3.29Å; W129-D139 PolarHBondContact NE1-OD1 2.91Å; W129-D139 PolarHBondContact NE1-OD2 2.87Å; K133-D139 HydrophobicContact CD-CB 3.92Å; K133-D139 VanDerWaalsContact CD-OD2 3.23Å; K133-D139 WeakPolarHBondContact CD-OD2 3.48Å; K133-D139 WeakPolarHBondContact CE-OD2 3.24Å; K133-D139 HydrophobicContact CG-CB 4.31Å; K133-D139 IonicContact NZ-OD2 3.79Å; K133-D139 PolarHBondContact NZ-OD2 3.5Å; D139-R141 VanDerWaalsContact C-N 3.28Å; D139-R141 PolarHBondContact O-N 3.49Å; D139-R141 WeakPolarHBondContact OD1-CB 3.39Å; D139-R141 VanDerWaalsContact OD1-CG 3.27Å; D139-R141 WeakPolarHBondContact OD1-CG 3.47Å; D139-R141 PolarHBondContact OD1-N 2.94Å; D139-D142 HydrophobicContact CB-CB 4.35Å; D139-D142 WeakPolarHBondContact CB-OD2 3.4Å; D139-N143 PolarHBondContact O-ND2 3.38Å; D139-N143 VanDerWaalsContact O-ND2 3.17Å
140I95.3Very high94.8Very high52 Ų5261.7 Ų61.727%0.26729%0.293SS..SBendtrans-63.4-32.3174.1-71.8168.5000112.2L132 Y138 D142 N143 I147L132-I140 HydrophobicContact CD1-CD1 3.43Å; L132-I140 VanDerWaalsContact CD1-CD1 3.43Å; L132-I140 HydrophobicContact CD1-CG1 4.13Å; Y138-I140 HydrophobicContact CE1-CG1 4.08Å; I140-D142 PolarHBondContact O-N 2.87Å; I140-N143 VanDerWaalsContact C-ND2 3.31Å; I140-N143 WeakPolarHBondContact CA-ND2 3.39Å; I140-N143 PolarHBondContact O-ND2 3.29Å; I140-I147 HydrophobicContact CG2-CG2 3.51Å; I140-I147 WeakPolarHBondContact O-CG2 3.38Å
141R95.9Very high95Very high23 Ų2362.7 Ų62.79%0.08730%0.298CS..G310 helixtrans-65.4-39.3-176.7-62.7172.1-179.6-178.71.4112.1E126 D139 N143 N144 C148 H151 V217 C222E126-R141 IonicContact OE1-NH2 3.72Å; E126-R141 PolarHBondContact OE1-NH2 3.44Å; D139-R141 VanDerWaalsContact C-N 3.28Å; D139-R141 PolarHBondContact O-N 3.49Å; D139-R141 WeakPolarHBondContact OD1-CB 3.39Å; D139-R141 VanDerWaalsContact OD1-CG 3.27Å; D139-R141 WeakPolarHBondContact OD1-CG 3.47Å; D139-R141 PolarHBondContact OD1-N 2.94Å; R141-N143 PolarHBondContact O-N 3.14Å; R141-N144 PolarHBondContact O-N 2.95Å; R141-C148 HydrophobicContact CB-CB 4.2Å; R141-C148 WeakPolarHBondContact O-CB 3.41Å; R141-H151 HydrophobicContact CG-CB 4.28Å; R141-H151 PolarHBondContact NE-CE1 3.35Å; R141-H151 VanDerWaalsContact NE-CE1 3.26Å; R141-H151 PolarHBondContact NE-ND1 3.3Å; R141-H151 PolarHBondContact NH2-CE1 3.03Å; R141-H151 PolarHBondContact NH2-ND1 3.03Å; R141-H151 VanDerWaalsContact NH2-ND1 3.18Å; R141-H151 PolarHBondContact NH2-NE2 3.32Å; R141-H151 VanDerWaalsContact NH2-NE2 3.15Å; R141-V217 WeakPolarHBondContact O-CG2 3.31Å; R141-C222 HydrophobicContact CB-CB 3.58Å; R141-C222 HydrophobicContact CG-CB 4.46Å
142D95.6Very high95.1Very high41 Ų4161.6 Ų61.622%0.21929%0.293CS..G310 helixtrans-74.1-12.2-168.2-58.4-16.1000112.4K133 D139 I140 G220 C222K133-D142 IonicContact NZ-OD2 3.95Å; D139-D142 HydrophobicContact CB-CB 4.35Å; D139-D142 WeakPolarHBondContact CB-OD2 3.4Å; I140-D142 PolarHBondContact O-N 2.87Å; D142-G220 VanDerWaalsContact CB-O 3.28Å; D142-G220 WeakPolarHBondContact CB-O 3.34Å; D142-C222 WeakPolarHBondContact OD1-CB 3.47Å; D142-C222 PolarHBondContact OD1-N 3.13Å
143N95.6Very high95.3Very high87 Ų8760.4 Ų60.447%0.46529%0.287SS..G310 helixtrans-67.6-32.2175.6-59-88.3000113.8Y138 D139 I140 R141Y138-N143 VanDerWaalsContact OH-CG 3.26Å; Y138-N143 PolarHBondContact OH-ND2 3.37Å; Y138-N143 PolarHBondContact OH-OD1 2.89Å; D139-N143 PolarHBondContact O-ND2 3.38Å; D139-N143 VanDerWaalsContact O-ND2 3.17Å; I140-N143 VanDerWaalsContact C-ND2 3.31Å; I140-N143 WeakPolarHBondContact CA-ND2 3.39Å; I140-N143 PolarHBondContact O-ND2 3.29Å; R141-N143 PolarHBondContact O-N 3.14Å
144N96.6Very high95.5Very high81 Ų8161.3 Ų61.343%0.43329%0.294SS..  trans-164.2132.9-170.8-175.6-22.3000111.9R141 F146 I147 C148R141-N144 PolarHBondContact O-N 2.95Å; N144-F146 PolarHBondContact O-N 2.88Å; N144-F146 VanDerWaalsContact O-N 3.12Å; N144-F146 PolarHBondContact OD1-N 2.88Å; N144-I147 HydrophobicContact CB-CB 4.36Å; N144-I147 HydrophobicContact CB-CD1 4.01Å; N144-I147 HydrophobicContact CB-CG1 4.04Å; N144-I147 WeakPolarHBondContact O-CA 3.2Å; N144-I147 PolarHBondContact O-N 2.78Å; N144-C148 PolarHBondContact O-N 2.9Å
145N97.6Very high96Very high77 Ų7760.4 Ų60.441%0.41229%0.288SS..Hα-helixtrans-41.4-45.1169.8-76.4-39.1000114.3I147 V149 V217N145-I147 VanDerWaalsContact C-N 3.34Å; N145-I147 PolarHBondContact O-N 3.21Å; N145-V149 WeakPolarHBondContact O-CB 3.33Å; N145-V149 WeakPolarHBondContact O-CG2 3.2Å; N145-V149 PolarHBondContact O-N 3.36Å; N145-V217 PolarHBondContact OD1-N 3.4Å
146F97.8Very high96.3Very high132 Ų13255.5 Ų55.558%0.57927%0.271SS*.Hα-helixtrans-64.4-37.9178.9177.8-100.4000112.5N144 L150N144-F146 PolarHBondContact O-N 2.88Å; N144-F146 VanDerWaalsContact O-N 3.12Å; N144-F146 PolarHBondContact OD1-N 2.88Å; F146-L150 HydrophobicContact CE1-CD2 3.83Å; F146-L150 HydrophobicContact CZ-CD2 4Å; F146-L150 WeakPolarHBondContact O-CB 3.24Å; F146-L150 PolarHBondContact O-N 2.8Å
147I97.2Very high96.5Very high58 Ų5850.1 Ų50.130%0.29725%0.249SC..Hα-helixtrans-76.1-42.2-179.4-58.8176.5000110.1I140 N144 N145 L150 H151I140-I147 HydrophobicContact CG2-CG2 3.51Å; I140-I147 WeakPolarHBondContact O-CG2 3.38Å; N144-I147 HydrophobicContact CB-CB 4.36Å; N144-I147 HydrophobicContact CB-CD1 4.01Å; N144-I147 HydrophobicContact CB-CG1 4.04Å; N144-I147 WeakPolarHBondContact O-CA 3.2Å; N144-I147 PolarHBondContact O-N 2.78Å; N145-I147 VanDerWaalsContact C-N 3.34Å; N145-I147 PolarHBondContact O-N 3.21Å; I147-L150 PolarHBondContact O-N 3.22Å; I147-H151 WeakPolarHBondContact O-CB 2.78Å; I147-H151 PolarHBondContact O-N 3.28Å
148C97.9Very high96.8Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-52-53.2169.6168.60000111.9R141 N144 T152 V217 C222R141-C148 HydrophobicContact CB-CB 4.2Å; R141-C148 WeakPolarHBondContact O-CB 3.41Å; N144-C148 PolarHBondContact O-N 2.9Å; C148-T152 VanDerWaalsContact O-CB 3.26Å; C148-T152 WeakPolarHBondContact O-CB 3.38Å; C148-T152 PolarHBondContact O-N 3.1Å; C148-T152 PolarHBondContact O-OG1 3.09Å; C148-V217 HydrophobicContact CB-CG2 3.77Å; C148-C222 WeakPolarHBondContact CA-SG 3.5Å; C148-C222 HydrophobicContact CB-CB 3.84Å; C148-C222 WeakPolarHBondContact CB-SG 3.44Å; C148-C222 WeakPolarHBondContact SG-CB 3.35Å; C148-C222 CovalentContact SG-SG 2.03Å; C148-C222 PolarHBondContact SG-SG 3.03Å
149V97.8Very high96.9Very high26 Ų2640.6 Ų40.616%0.15821%0.205CC..Hα-helixtrans-60.4-55.8176.1159.90000111.7N145 S153 P212 W215N145-V149 WeakPolarHBondContact O-CB 3.33Å; N145-V149 WeakPolarHBondContact O-CG2 3.2Å; N145-V149 PolarHBondContact O-N 3.36Å; V149-S153 VanDerWaalsContact O-CB 3.26Å; V149-S153 WeakPolarHBondContact O-CB 3.35Å; V149-S153 PolarHBondContact O-N 3.33Å; V149-S153 PolarHBondContact O-OG 3.43Å; V149-P212 HydrophobicContact CG1-CB 3.79Å; V149-W215 WeakPolarHBondContact CG2-O 3.4Å
150L97.5Very high97Very high81 Ų8140.3 Ų40.342%0.42420%0.203SC..Hα-helixtrans-62.6-49.8-172.6178.662.8000110.8F146 I147 L154F146-L150 HydrophobicContact CE1-CD2 3.83Å; F146-L150 HydrophobicContact CZ-CD2 4Å; F146-L150 WeakPolarHBondContact O-CB 3.24Å; F146-L150 PolarHBondContact O-N 2.8Å; I147-L150 PolarHBondContact O-N 3.22Å; L150-L154 HydrophobicContact CD1-CD1 3.89Å; L150-L154 WeakPolarHBondContact O-CB 3.4Å; L150-L154 PolarHBondContact O-N 3.39Å
151H97.7Very high97.1Very high21 Ų2138.7 Ų38.710%0.09719%0.194CC..Hα-helixtrans-62.6-49.8-177.8-174.7-61.9000111.2L125 E126 W129 R141 I147 L154 S155L125-H151 PolarHBondContact O-NE2 2.8Å; E126-H151 WeakPolarHBondContact CG-NE2 3.12Å; E126-H151 IonicContact OE1-CE1 3.87Å; E126-H151 IonicContact OE1-NE2 2.6Å; E126-H151 PolarHBondContact OE1-NE2 3.46Å; W129-H151 AromaticContact CG-NE2 3.74Å; R141-H151 HydrophobicContact CG-CB 4.28Å; R141-H151 PolarHBondContact NE-CE1 3.35Å; R141-H151 VanDerWaalsContact NE-CE1 3.26Å; R141-H151 PolarHBondContact NE-ND1 3.3Å; R141-H151 PolarHBondContact NH2-CE1 3.03Å; R141-H151 PolarHBondContact NH2-ND1 3.03Å; R141-H151 VanDerWaalsContact NH2-ND1 3.18Å; R141-H151 PolarHBondContact NH2-NE2 3.32Å; R141-H151 VanDerWaalsContact NH2-NE2 3.15Å; I147-H151 WeakPolarHBondContact O-CB 2.78Å; I147-H151 PolarHBondContact O-N 3.28Å; H151-L154 PolarHBondContact O-N 2.93Å; H151-S155 PolarHBondContact CE1-OG 3.48Å; H151-S155 WeakPolarHBondContact O-CB 3.37Å; H151-S155 PolarHBondContact O-N 3.4Å; H151-S155 PolarHBondContact O-OG 2.69Å
152T96.7Very high97.2Very high6 Ų637.7 Ų37.74%0.03719%0.19CC..Hα-helixtrans-67.6-39.8-174.9-50.80000111.9C148 S155 N156 Y211C148-T152 VanDerWaalsContact O-CB 3.26Å; C148-T152 WeakPolarHBondContact O-CB 3.38Å; C148-T152 PolarHBondContact O-N 3.1Å; C148-T152 PolarHBondContact O-OG1 3.09Å; T152-S155 PolarHBondContact O-OG 3.07Å; T152-N156 WeakPolarHBondContact O-CB 3.23Å; T152-N156 PolarHBondContact O-N 3.5Å; T152-N156 PolarHBondContact O-ND2 3.04Å; T152-Y211 HydrophobicContact CG2-CD1 3.68Å; T152-Y211 HydrophobicContact CG2-CE1 4.08Å; T152-Y211 HydrophobicContact CG2-CG 4.42Å
153S97.5Very high97.3Very high16 Ų1635.8 Ų35.811%0.11218%0.18CC..Hα-helixtrans-66.6-47.6176.8-500000111.5V149 Y157 I208 Y211 P212V149-S153 VanDerWaalsContact O-CB 3.26Å; V149-S153 WeakPolarHBondContact O-CB 3.35Å; V149-S153 PolarHBondContact O-N 3.33Å; V149-S153 PolarHBondContact O-OG 3.43Å; S153-Y157 WeakPolarHBondContact O-CB 3.31Å; S153-Y157 PolarHBondContact O-N 3.1Å; S153-I208 WeakPolarHBondContact O-CG2 3.08Å; S153-Y211 WeakPolarHBondContact OG-CB 3.12Å; S153-P212 WeakPolarHBondContact OG-CD 3.27Å
154L97.7Very high97.4Very high61 Ų6133.3 Ų33.332%0.31916%0.164SC..Hα-helixtrans-77.1-31.6-172.1-169.4150.7000111.7L125 L150 H151 F158L125-L154 HydrophobicContact CD1-CD2 3.3Å; L125-L154 HydrophobicContact CD2-CD2 4.16Å; L125-L154 HydrophobicContact CG-CD2 4.38Å; L150-L154 HydrophobicContact CD1-CD1 3.89Å; L150-L154 WeakPolarHBondContact O-CB 3.4Å; L150-L154 PolarHBondContact O-N 3.39Å; H151-L154 PolarHBondContact O-N 2.93Å; L154-F158 HydrophobicContact CD2-CD2 3.83Å; L154-F158 HydrophobicContact CD2-CE2 3.59Å; L154-F158 HydrophobicContact CG-CD2 4.48Å; L154-F158 HydrophobicContact CG-CE2 4.17Å; L154-F158 WeakPolarHBondContact O-CD2 3.07Å; L154-F158 PolarHBondContact O-N 3.2Å
155S96.8Very high97.5Very high0 Ų029.4 Ų29.40%014%0.144CC..Hα-helixtrans-69.9-46.5174.171.30000112.7E126 H151 T152 Y157 F158 F159E126-S155 VanDerWaalsContact CG-CB 3.4Å; E126-S155 VanDerWaalsContact OE1-CB 3.28Å; E126-S155 WeakPolarHBondContact OE1-CB 3.36Å; E126-S155 PolarHBondContact OE1-OG 2.99Å; H151-S155 PolarHBondContact CE1-OG 3.48Å; H151-S155 WeakPolarHBondContact O-CB 3.37Å; H151-S155 PolarHBondContact O-N 3.4Å; H151-S155 PolarHBondContact O-OG 2.69Å; T152-S155 PolarHBondContact O-OG 3.07Å; S155-Y157 VanDerWaalsContact C-N 3.35Å; S155-F158 PolarHBondContact O-N 3.48Å; S155-F159 PolarHBondContact O-N 3.07Å; S155-F159 VanDerWaalsContact O-N 3.14Å
156N96.4Very high97.5Very high10 Ų1025.9 Ų25.95%0.05313%0.125CC..Hα-helixtrans-63.1-42174.4-76.5-28.2000110.7T152 F158 F159 Y160 I208 Y211 R452T152-N156 WeakPolarHBondContact O-CB 3.23Å; T152-N156 PolarHBondContact O-N 3.5Å; T152-N156 PolarHBondContact O-ND2 3.04Å; N156-F158 PolarHBondContact O-N 3.34Å; N156-F159 WeakPolarHBondContact O-CB 3.46Å; N156-F159 PolarHBondContact O-N 3.21Å; N156-Y160 WeakPolarHBondContact O-CD2 3.45Å; N156-Y160 PolarHBondContact O-N 2.98Å; N156-I208 HydrophobicContact CB-CD1 3.68Å; N156-Y211 HydrophobicContact CB-CE2 4.21Å; N156-Y211 PolarHBondContact ND2-OH 3.32Å; N156-R452 PolarHBondContact OD1-NH2 3.25Å
157Y98Very high97.5Very high43 Ų4319.8 Ų19.817%0.16910%0.099CC..Hα-helixtrans-52.2-40.7173.3-178.3-99.1000113S153 S155 Y160 W161 S201 L204 I205 I208S153-Y157 WeakPolarHBondContact O-CB 3.31Å; S153-Y157 PolarHBondContact O-N 3.1Å; S155-Y157 VanDerWaalsContact C-N 3.35Å; Y157-Y160 PolarHBondContact O-N 2.93Å; Y157-W161 AromaticContact CE1-CE3 3.8Å; Y157-W161 HydrophobicContact CE1-CE3 3.8Å; Y157-W161 HydrophobicContact CE1-CZ3 4.28Å; Y157-W161 AromaticContact CZ-CE3 3.83Å; Y157-W161 VanDerWaalsContact O-CB 3.27Å; Y157-W161 WeakPolarHBondContact O-CB 3.34Å; Y157-W161 PolarHBondContact O-N 3.49Å; Y157-W161 WeakPolarHBondContact OH-CZ3 3.38Å; Y157-S201 PolarHBondContact OH-O 2.95Å; Y157-L204 HydrophobicContact CD2-CB 4.43Å; Y157-L204 HydrophobicContact CE2-CB 3.96Å; Y157-I205 HydrophobicContact CE2-CG1 3.82Å; Y157-I208 HydrophobicContact CD2-CG1 4.26Å
158F98Very high97.5Very high20 Ų2019 Ų199%0.0889%0.094CC..Hα-helixtrans-73.6-31.7176.7-78.4-60.7000114.6F117 F121 I122 L125 L154 S155 N156 W161 S162F117-F158 AromaticContact CD1-CE1 3.98Å; F117-F158 HydrophobicContact CD1-CE1 3.98Å; F117-F158 AromaticContact CE1-CE1 3.76Å; F117-F158 HydrophobicContact CE1-CE1 3.76Å; F117-F158 HydrophobicContact CE1-CZ 4.02Å; F121-F158 HydrophobicContact CB-CB 4.21Å; F121-F158 HydrophobicContact CB-CD1 3.94Å; F121-F158 HydrophobicContact CB-CD2 3.46Å; F121-F158 VanDerWaalsContact CB-CD2 3.46Å; F121-F158 HydrophobicContact CB-CE1 4.15Å; F121-F158 HydrophobicContact CB-CE2 3.67Å; F121-F158 HydrophobicContact CB-CG 3.59Å; F121-F158 HydrophobicContact CB-CZ 4.02Å; F121-F158 HydrophobicContact CD1-CD2 4.23Å; F121-F158 AromaticContact CD1-CE2 3.69Å; F121-F158 HydrophobicContact CD1-CE2 3.69Å; F121-F158 HydrophobicContact CD1-CZ 4.11Å; F121-F158 HydrophobicContact CD2-CE1 4.11Å; F121-F158 HydrophobicContact CD2-CE2 4.21Å; F121-F158 AromaticContact CD2-CZ 3.85Å; F121-F158 HydrophobicContact CD2-CZ 3.85Å; F121-F158 HydrophobicContact CE1-CE2 4.4Å; F121-F158 HydrophobicContact CE2-CZ 4.4Å; F121-F158 HydrophobicContact CG-CD1 4.45Å; F121-F158 AromaticContact CG-CD2 3.93Å; F121-F158 HydrophobicContact CG-CD2 3.93Å; F121-F158 HydrophobicContact CG-CE1 4.16Å; F121-F158 AromaticContact CG-CE2 3.57Å; F121-F158 HydrophobicContact CG-CE2 3.57Å; F121-F158 HydrophobicContact CG-CG 4.36Å; F121-F158 AromaticContact CG-CZ 3.7Å; F121-F158 HydrophobicContact CG-CZ 3.7Å; I122-F158 HydrophobicContact CG1-CB 4.07Å; L125-F158 HydrophobicContact CD1-CD2 3.83Å; L125-F158 HydrophobicContact CD1-CE2 4.33Å; L154-F158 HydrophobicContact CD2-CD2 3.83Å; L154-F158 HydrophobicContact CD2-CE2 3.59Å; L154-F158 HydrophobicContact CG-CD2 4.48Å; L154-F158 HydrophobicContact CG-CE2 4.17Å; L154-F158 WeakPolarHBondContact O-CD2 3.07Å; L154-F158 PolarHBondContact O-N 3.2Å; S155-F158 PolarHBondContact O-N 3.48Å; N156-F158 PolarHBondContact O-N 3.34Å; F158-W161 HydrophobicContact CD1-CB 4.36Å; F158-W161 HydrophobicContact CD1-CG 4.43Å; F158-W161 PolarHBondContact O-N 3.11Å; F158-S162 PolarHBondContact O-N 3.24Å
159F96.3Very high97.4Very high10 Ų1019.4 Ų19.44%0.04410%0.096CC..Hα-helixtrans-61.7-46.9169.2-94.2-72.9000112I122 E126 S155 N156 A163 W241 R452 C455 F456I122-F159 HydrophobicContact CD1-CD1 4.11Å; I122-F159 HydrophobicContact CD1-CE1 4.46Å; I122-F159 HydrophobicContact CD1-CG 4.31Å; I122-F159 HydrophobicContact CG1-CD1 4.42Å; I122-F159 HydrophobicContact CG1-CD2 4.29Å; I122-F159 HydrophobicContact CG1-CG 4.24Å; I122-F159 HydrophobicContact CG2-CD1 4.46Å; I122-F159 HydrophobicContact CG2-CD2 4.38Å; I122-F159 HydrophobicContact CG2-CE1 3.9Å; I122-F159 HydrophobicContact CG2-CE2 3.81Å; I122-F159 HydrophobicContact CG2-CZ 3.55Å; E126-F159 HydrophobicContact CB-CE2 4.2Å; E126-F159 HydrophobicContact CG-CD2 4.46Å; E126-F159 HydrophobicContact CG-CE2 3.86Å; S155-F159 PolarHBondContact O-N 3.07Å; S155-F159 VanDerWaalsContact O-N 3.14Å; N156-F159 WeakPolarHBondContact O-CB 3.46Å; N156-F159 PolarHBondContact O-N 3.21Å; F159-A163 WeakPolarHBondContact O-CB 3.17Å; F159-A163 PolarHBondContact O-N 2.61Å; F159-W241 HydrophobicContact CD1-CZ2 4.39Å; F159-W241 PolarHBondContact O-NE1 3Å; F159-R452 VanDerWaalsContact CE2-NE 3.35Å; F159-C455 HydrophobicContact CE1-CB 3.94Å; F159-F456 HydrophobicContact CE2-CE1 4.28Å; F159-F456 HydrophobicContact CZ-CD1 4.13Å; F159-F456 AromaticContact CZ-CE1 3.76Å; F159-F456 HydrophobicContact CZ-CE1 3.76Å
160Y97.2Very high97.4Very high1 Ų118.1 Ų18.10%0.0049%0.089CC..Hα-helixtrans-59.1-47.1171.8-81.9-114.1000111.1N156 Y157 A163 Y164 L204 P207 I208 N236 D237 V240 W241N156-Y160 WeakPolarHBondContact O-CD2 3.45Å; N156-Y160 PolarHBondContact O-N 2.98Å; Y157-Y160 PolarHBondContact O-N 2.93Å; Y160-A163 PolarHBondContact O-N 2.96Å; Y160-Y164 WeakPolarHBondContact O-CD2 3.36Å; Y160-Y164 PolarHBondContact O-N 3.46Å; Y160-L204 HydrophobicContact CD1-CD2 4.26Å; Y160-P207 HydrophobicContact CD1-CB 4.42Å; Y160-P207 HydrophobicContact CD1-CG 3.8Å; Y160-P207 HydrophobicContact CE1-CB 3.54Å; Y160-P207 HydrophobicContact CE1-CG 3.42Å; Y160-P207 VanDerWaalsContact CE1-CG 3.42Å; Y160-I208 HydrophobicContact CD2-CD1 3.82Å; Y160-I208 HydrophobicContact CE2-CD1 3.71Å; Y160-I208 HydrophobicContact CG-CD1 4.33Å; Y160-N236 PolarHBondContact OH-ND2 3.31Å; Y160-D237 VanDerWaalsContact CE2-OD1 3.29Å; Y160-D237 WeakPolarHBondContact CE2-OD1 3.46Å; Y160-D237 VanDerWaalsContact CZ-OD1 3.32Å; Y160-D237 WeakPolarHBondContact OH-CA 3.49Å; Y160-D237 PolarHBondContact OH-OD1 2.99Å; Y160-V240 HydrophobicContact CD1-CG1 4.26Å; Y160-V240 HydrophobicContact CE1-CB 3.9Å; Y160-V240 HydrophobicContact CE1-CG1 3.74Å; Y160-W241 HydrophobicContact CD1-CB 4.06Å; Y160-W241 HydrophobicContact CD2-CB 3.72Å; Y160-W241 HydrophobicContact CD2-CG 4.16Å; Y160-W241 HydrophobicContact CE1-CB 3.91Å; Y160-W241 HydrophobicContact CE2-CB 3.59Å; Y160-W241 HydrophobicContact CE2-CG 4.33Å; Y160-W241 HydrophobicContact CG-CB 4Å
161W98Very high97.3Very high18 Ų1818 Ų187%0.0689%0.087CC..Hα-helixtrans-56.3-54.7179.7-179.4-81.3000113S114 Y157 F158 A163 Y164 M165 W197 S201S114-W161 PolarHBondContact O-NE1 2.87Å; Y157-W161 AromaticContact CE1-CE3 3.8Å; Y157-W161 HydrophobicContact CE1-CE3 3.8Å; Y157-W161 HydrophobicContact CE1-CZ3 4.28Å; Y157-W161 AromaticContact CZ-CE3 3.83Å; Y157-W161 VanDerWaalsContact O-CB 3.27Å; Y157-W161 WeakPolarHBondContact O-CB 3.34Å; Y157-W161 PolarHBondContact O-N 3.49Å; Y157-W161 WeakPolarHBondContact OH-CZ3 3.38Å; F158-W161 HydrophobicContact CD1-CB 4.36Å; F158-W161 HydrophobicContact CD1-CG 4.43Å; F158-W161 PolarHBondContact O-N 3.11Å; W161-A163 VanDerWaalsContact C-N 3.34Å; W161-A163 PolarHBondContact O-N 2.85Å; W161-Y164 PolarHBondContact O-N 3.44Å; W161-M165 HydrophobicContact CD2-CE 4Å; W161-M165 HydrophobicContact CD2-CG 4.41Å; W161-M165 HydrophobicContact CE3-CE 4.2Å; W161-M165 HydrophobicContact CG-CG 4.29Å; W161-M165 HydrophobicContact CH2-CE 4.01Å; W161-M165 HydrophobicContact CZ2-CE 3.79Å; W161-M165 HydrophobicContact CZ3-CE 4.23Å; W161-M165 WeakPolarHBondContact O-CB 3.31Å; W161-M165 WeakPolarHBondContact O-CG 3.41Å; W161-M165 PolarHBondContact O-N 3.08Å; W161-W197 AromaticContact CH2-CE2 3.86Å; W161-W197 HydrophobicContact CH2-CH2 4.26Å; W161-W197 AromaticContact CH2-CZ2 3.55Å; W161-W197 HydrophobicContact CH2-CZ2 3.55Å; W161-W197 AromaticContact CZ2-CE2 3.91Å; W161-W197 AromaticContact CZ2-CZ2 3.71Å; W161-W197 HydrophobicContact CZ2-CZ2 3.71Å; W161-W197 AromaticContact CZ2-NE1 3.76Å; W161-S201 WeakPolarHBondContact CH2-OG 3.25Å; W161-S201 VanDerWaalsContact CZ3-CB 3.48Å; W161-S201 WeakPolarHBondContact CZ3-OG 3.07Å
162S97.5Very high97.2Very high2 Ų218.1 Ų18.11%0.0149%0.087CC..Hα-helixtrans-62.7-42.4-175.9-165.40000111.3D119 F158 Y164 M165 Q166D119-S162 PolarHBondContact OD1-OG 2.79Å; F158-S162 PolarHBondContact O-N 3.24Å; S162-Y164 PolarHBondContact O-N 3.4Å; S162-M165 PolarHBondContact O-N 3.22Å; S162-Q166 WeakPolarHBondContact O-CB 3.31Å; S162-Q166 PolarHBondContact O-N 3.48Å
163A97.5Very high97.1Very high1 Ų119.1 Ų19.11%0.0089%0.091CC..Hα-helixtrans-57.1-50.4176.200000113F159 Y160 W161 Q166 S167 P245 Y418F159-A163 WeakPolarHBondContact O-CB 3.17Å; F159-A163 PolarHBondContact O-N 2.61Å; Y160-A163 PolarHBondContact O-N 2.96Å; W161-A163 VanDerWaalsContact C-N 3.34Å; W161-A163 PolarHBondContact O-N 2.85Å; A163-Q166 PolarHBondContact O-N 2.94Å; A163-S167 WeakPolarHBondContact O-CB 3.4Å; A163-S167 PolarHBondContact O-N 2.94Å; A163-P245 HydrophobicContact CB-CB 3.97Å; A163-P245 HydrophobicContact CB-CG 4.07Å; A163-Y418 HydrophobicContact CB-CE2 4.13Å; A163-Y418 WeakPolarHBondContact CB-OH 3.46Å
164Y98.3Very high97Very high35 Ų3518.6 Ų18.614%0.1379%0.087CC..Hα-helixtrans-69.3-37.3179.3-87.2-101.3000112.6Y160 W161 S162 S167 M168 I200 L204 V240 I244 P245Y160-Y164 WeakPolarHBondContact O-CD2 3.36Å; Y160-Y164 PolarHBondContact O-N 3.46Å; W161-Y164 PolarHBondContact O-N 3.44Å; S162-Y164 PolarHBondContact O-N 3.4Å; Y164-S167 PolarHBondContact O-N 2.82Å; Y164-M168 WeakPolarHBondContact O-CB 3.48Å; Y164-M168 VanDerWaalsContact O-CG 3.29Å; Y164-M168 WeakPolarHBondContact O-CG 3.43Å; Y164-M168 PolarHBondContact O-N 3.03Å; Y164-I200 HydrophobicContact CD1-CG2 4.31Å; Y164-L204 HydrophobicContact CD1-CD2 4.05Å; Y164-L204 HydrophobicContact CD2-CD1 4.28Å; Y164-L204 HydrophobicContact CD2-CD2 3.48Å; Y164-L204 VanDerWaalsContact CD2-CD2 3.48Å; Y164-L204 HydrophobicContact CE1-CD2 4.09Å; Y164-L204 HydrophobicContact CE2-CD2 3.49Å; Y164-L204 VanDerWaalsContact CE2-CD2 3.49Å; Y164-L204 HydrophobicContact CG-CD1 4.12Å; Y164-L204 HydrophobicContact CG-CD2 3.75Å; Y164-L204 HydrophobicContact CG-CG 4.47Å; Y164-V240 VanDerWaalsContact CE2-O 3.24Å; Y164-V240 WeakPolarHBondContact CE2-O 3.44Å; Y164-V240 WeakPolarHBondContact OH-CG1 3.29Å; Y164-V240 PolarHBondContact OH-O 2.7Å; Y164-I244 HydrophobicContact CE1-CG2 4.32Å; Y164-P245 HydrophobicContact CD2-CG 3.55Å; Y164-P245 HydrophobicContact CE2-CG 3.4Å; Y164-P245 HydrophobicContact CG-CG 4.27Å
165M97.7Very high96.8Very high0 Ų020.6 Ų20.60%09%0.091CC..Hα-helixtrans-66.5-37.3177.3-65.8-67.6159.500111.8W111 I115 W161 S162 L169 W197W111-M165 HydrophobicContact CE3-SD 3.51Å; W111-M165 VanDerWaalsContact CE3-SD 3.51Å; W111-M165 HydrophobicContact CZ3-SD 3.54Å; W111-M165 VanDerWaalsContact CZ3-SD 3.54Å; I115-M165 HydrophobicContact CG1-CB 3.76Å; W161-M165 HydrophobicContact CD2-CE 4Å; W161-M165 HydrophobicContact CD2-CG 4.41Å; W161-M165 HydrophobicContact CE3-CE 4.2Å; W161-M165 HydrophobicContact CG-CG 4.29Å; W161-M165 HydrophobicContact CH2-CE 4.01Å; W161-M165 HydrophobicContact CZ2-CE 3.79Å; W161-M165 HydrophobicContact CZ3-CE 4.23Å; W161-M165 WeakPolarHBondContact O-CB 3.31Å; W161-M165 WeakPolarHBondContact O-CG 3.41Å; W161-M165 PolarHBondContact O-N 3.08Å; S162-M165 PolarHBondContact O-N 3.22Å; M165-L169 WeakPolarHBondContact O-CB 3.14Å; M165-L169 PolarHBondContact O-N 2.92Å; M165-W197 HydrophobicContact CE-CG 4.39Å; M165-W197 VanDerWaalsContact SD-CD1 3.51Å
166Q97.1Very high96.5Very high3 Ų322.2 Ų22.21%0.01410%0.102CC..Hα-helixtrans-68.5-39.9172.3-172.6173.5-23.600112.2I115 S162 A163 L169 S170 M249 M414 N415I115-Q166 HydrophobicContact CD1-CB 4.13Å; I115-Q166 HydrophobicContact CG1-CB 4.44Å; S162-Q166 WeakPolarHBondContact O-CB 3.31Å; S162-Q166 PolarHBondContact O-N 3.48Å; A163-Q166 PolarHBondContact O-N 2.94Å; Q166-L169 PolarHBondContact O-N 3.28Å; Q166-S170 PolarHBondContact O-N 3.09Å; Q166-S170 PolarHBondContact O-OG 2.84Å; Q166-M249 HydrophobicContact CB-SD 4.16Å; Q166-M249 HydrophobicContact CG-SD 3.7Å; Q166-M414 PolarHBondContact NE2-O 3.48Å; Q166-M414 VanDerWaalsContact NE2-O 3.12Å; Q166-N415 PolarHBondContact NE2-OD1 3.36Å
167S97.8Very high96.3Very high4 Ų423.5 Ų23.53%0.02811%0.109CC..Hα-helixtrans-64-43.3175.5-155.10000112A163 Y164 S170 M171 P245 G248 M249A163-S167 WeakPolarHBondContact O-CB 3.4Å; A163-S167 PolarHBondContact O-N 2.94Å; Y164-S167 PolarHBondContact O-N 2.82Å; S167-S170 WeakPolarHBondContact O-CA 3.31Å; S167-S170 VanDerWaalsContact O-CB 3.25Å; S167-S170 WeakPolarHBondContact O-CB 3.43Å; S167-S170 PolarHBondContact O-N 3.23Å; S167-S170 VanDerWaalsContact O-N 3.11Å; S167-M171 WeakPolarHBondContact O-CG 3.44Å; S167-M171 PolarHBondContact O-N 3.07Å; S167-P245 PolarHBondContact OG-O 3.26Å; S167-G248 WeakPolarHBondContact OG-CA 3.48Å; S167-M249 PolarHBondContact OG-N 3.31Å
168M97.4Very high96.1Very high41 Ų4125.6 Ų25.620%0.20212%0.122CC..Hα-helixtrans-66.4-39.9176.5-72.7-69.4155.900113.4W111 Y164 S170 M171 Q172 I200W111-M168 HydrophobicContact CD2-CB 4.32Å; W111-M168 HydrophobicContact CE3-CB 3.81Å; W111-M168 HydrophobicContact CH2-CB 3.77Å; W111-M168 HydrophobicContact CH2-CG 4.13Å; W111-M168 HydrophobicContact CZ2-CB 4.26Å; W111-M168 HydrophobicContact CZ3-CB 3.51Å; W111-M168 HydrophobicContact CZ3-CG 3.99Å; Y164-M168 WeakPolarHBondContact O-CB 3.48Å; Y164-M168 VanDerWaalsContact O-CG 3.29Å; Y164-M168 WeakPolarHBondContact O-CG 3.43Å; Y164-M168 PolarHBondContact O-N 3.03Å; M168-S170 PolarHBondContact O-N 2.89Å; M168-M171 HydrophobicContact CE-SD 4.22Å; M168-M171 PolarHBondContact O-N 3.04Å; M168-M171 HydrophobicContact SD-SD 4.3Å; M168-Q172 WeakPolarHBondContact O-CB 3.35Å; M168-Q172 PolarHBondContact O-N 3.42Å; M168-I200 HydrophobicContact CE-CD1 3.67Å; M168-I200 HydrophobicContact CG-CD1 3.72Å; M168-I200 HydrophobicContact SD-CD1 3.66Å
169L96.4Very high95.7Very high8 Ų830.5 Ų30.54%0.04214%0.14CC..Hα-helixtrans-59.2-36.9171.3178.558000111.3M108 W111 L112 I115 M165 Q166 R173 L411M108-L169 HydrophobicContact CG-CD1 4.49Å; W111-L169 HydrophobicContact CB-CB 3.99Å; W111-L169 HydrophobicContact CB-CD1 4.13Å; W111-L169 HydrophobicContact CB-CG 4.43Å; W111-L169 HydrophobicContact CG-CB 4.4Å; L112-L169 HydrophobicContact CD2-CD2 3.73Å; L112-L169 HydrophobicContact CG-CD2 4.28Å; I115-L169 HydrophobicContact CD1-CB 4.48Å; I115-L169 HydrophobicContact CD1-CD2 3.74Å; M165-L169 WeakPolarHBondContact O-CB 3.14Å; M165-L169 PolarHBondContact O-N 2.92Å; Q166-L169 PolarHBondContact O-N 3.28Å; L169-R173 HydrophobicContact CD1-CG 4.46Å; L169-R173 WeakPolarHBondContact O-CB 3.39Å; L169-R173 WeakPolarHBondContact O-CG 3.3Å; L169-R173 PolarHBondContact O-N 2.89Å; L169-R173 VanDerWaalsContact O-N 3.15Å; L169-L411 HydrophobicContact CD2-CD1 4.5Å; L169-L411 HydrophobicContact CG-CD1 3.89Å
170S97.1Very high95.1Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-67.8-49176.2-56.40000112.2Q166 S167 M168 Q172 R173 A174 N415Q166-S170 PolarHBondContact O-N 3.09Å; Q166-S170 PolarHBondContact O-OG 2.84Å; S167-S170 WeakPolarHBondContact O-CA 3.31Å; S167-S170 VanDerWaalsContact O-CB 3.25Å; S167-S170 WeakPolarHBondContact O-CB 3.43Å; S167-S170 PolarHBondContact O-N 3.23Å; S167-S170 VanDerWaalsContact O-N 3.11Å; M168-S170 PolarHBondContact O-N 2.89Å; S170-Q172 PolarHBondContact O-N 2.83Å; S170-R173 PolarHBondContact O-N 3.35Å; S170-R173 VanDerWaalsContact O-N 3.17Å; S170-A174 PolarHBondContact O-N 3.42Å; S170-N415 PolarHBondContact OG-ND2 2.9Å; S170-N415 PolarHBondContact OG-OD1 3.44Å
171M96.5Very high94.2Very high78 Ų7840.6 Ų40.638%0.38420%0.198SC..Hα-helixtrans-61.1-43.3176.9-67.4-178.1-172.400111.8S167 M168 R173 A174 Y175 S252S167-M171 WeakPolarHBondContact O-CG 3.44Å; S167-M171 PolarHBondContact O-N 3.07Å; M168-M171 HydrophobicContact CE-SD 4.22Å; M168-M171 PolarHBondContact O-N 3.04Å; M168-M171 HydrophobicContact SD-SD 4.3Å; M171-R173 VanDerWaalsContact C-N 3.28Å; M171-R173 PolarHBondContact O-N 3.16Å; M171-A174 PolarHBondContact O-N 3.47Å; M171-Y175 WeakPolarHBondContact O-CB 3.45Å; M171-Y175 PolarHBondContact O-N 3.38Å; M171-S252 WeakPolarHBondContact CA-OG 3.25Å; M171-S252 WeakPolarHBondContact CG-OG 3.44Å; M171-S252 PolarHBondContact N-OG 2.85Å
172Q95.1Very high93.1Very high24 Ų2448.1 Ų48.111%0.11223%0.227CC..Hα-helixtrans-59.8-39176.4-170.8-167.260.200111.7N107 M168 S170 S176N107-Q172 PolarHBondContact O-NE2 2.83Å; N107-Q172 PolarHBondContact O-OE1 3Å; M168-Q172 WeakPolarHBondContact O-CB 3.35Å; M168-Q172 PolarHBondContact O-N 3.42Å; S170-Q172 PolarHBondContact O-N 2.83Å; Q172-S176 WeakPolarHBondContact O-CB 3.4Å; Q172-S176 PolarHBondContact O-N 3.2Å; Q172-S176 PolarHBondContact O-OG 3.29Å
173R94.1Very high91.5Very high27 Ų2749.9 Ų49.910%0.10224%0.241CC..Hα-helixtrans-73.2-41.2178-73.8-78.9-174178.4-0.6112.3M108 L169 S170 M171 S176 I177 I256 V407 L411M108-R173 PolarHBondContact SD-NH2 2.98Å; L169-R173 HydrophobicContact CD1-CG 4.46Å; L169-R173 WeakPolarHBondContact O-CB 3.39Å; L169-R173 WeakPolarHBondContact O-CG 3.3Å; L169-R173 PolarHBondContact O-N 2.89Å; L169-R173 VanDerWaalsContact O-N 3.15Å; S170-R173 PolarHBondContact O-N 3.35Å; S170-R173 VanDerWaalsContact O-N 3.17Å; M171-R173 VanDerWaalsContact C-N 3.28Å; M171-R173 PolarHBondContact O-N 3.16Å; R173-S176 PolarHBondContact O-N 2.79Å; R173-I177 PolarHBondContact O-N 2.78Å; R173-I177 VanDerWaalsContact O-N 3.1Å; R173-I256 HydrophobicContact CB-CD1 4.21Å; R173-V407 VanDerWaalsContact NH2-CG1 3.28Å; R173-L411 HydrophobicContact CB-CD1 4.05Å; R173-L411 HydrophobicContact CG-CD1 3.78Å
174A95.6Very high90.2Very high4 Ų460.3 Ų60.33%0.03328%0.28CS..Hα-helixtrans-59.1-49.5172.400000111.1S170 M171 S176 I177 I178 I255 I256S170-A174 PolarHBondContact O-N 3.42Å; M171-A174 PolarHBondContact O-N 3.47Å; A174-S176 VanDerWaalsContact C-N 3.32Å; A174-S176 PolarHBondContact O-N 3.05Å; A174-I177 PolarHBondContact O-N 3.5Å; A174-I177 VanDerWaalsContact O-N 3.09Å; A174-I178 WeakPolarHBondContact O-CG1 3.42Å; A174-I178 PolarHBondContact O-N 3.39Å; A174-I255 HydrophobicContact CB-CB 4.49Å; A174-I255 HydrophobicContact CB-CG2 4.02Å; A174-I256 HydrophobicContact CB-CD1 4.26Å; A174-I256 HydrophobicContact CB-CG1 4.04Å
175Y93.8Very high89Confident103 Ų10365.7 Ų65.740%0.40431%0.312SS..Hα-helixtrans-56.4-44175-177.4-89.4000112.7M171 I177 I178 R179M171-Y175 WeakPolarHBondContact O-CB 3.45Å; M171-Y175 PolarHBondContact O-N 3.38Å; Y175-I177 VanDerWaalsContact C-N 3.25Å; Y175-I177 PolarHBondContact O-N 2.88Å; Y175-I178 PolarHBondContact O-N 3.4Å; Y175-R179 PolarHBondContact O-N 3.45Å; Y175-R179 PolarHBondContact OH-NH1 3Å
176S91.5Very high87.9Confident34 Ų3470.1 Ų70.124%0.23834%0.343CS..Hα-helixtrans-62.8-30.6178.5-59.40000113Q172 R173 A174Q172-S176 WeakPolarHBondContact O-CB 3.4Å; Q172-S176 PolarHBondContact O-N 3.2Å; Q172-S176 PolarHBondContact O-OG 3.29Å; R173-S176 PolarHBondContact O-N 2.79Å; A174-S176 VanDerWaalsContact C-N 3.32Å; A174-S176 PolarHBondContact O-N 3.05Å
177I92.1Very high87.2Confident38 Ų3871.7 Ų71.720%0.19536%0.36CS..Hα-helixtrans-83.8-34.7177.7-72.6172.5000111.8R173 A174 Y175 I256 N259 T408R173-I177 PolarHBondContact O-N 2.78Å; R173-I177 VanDerWaalsContact O-N 3.1Å; A174-I177 PolarHBondContact O-N 3.5Å; A174-I177 VanDerWaalsContact O-N 3.09Å; Y175-I177 VanDerWaalsContact C-N 3.25Å; Y175-I177 PolarHBondContact O-N 2.88Å; I177-I256 HydrophobicContact CD1-CG1 4.19Å; I177-I256 HydrophobicContact CD1-CG2 4.29Å; I177-N259 HydrophobicContact CG2-CB 3.55Å; I177-T408 HydrophobicContact CD1-CG2 3.62Å
178I92.3Very high86.6Confident87 Ų8774.2 Ų74.245%0.44638%0.376SS..Hα-helixtrans-68-37.7174.1-62.3158.8000111.3A174 Y175 P180 I255A174-I178 WeakPolarHBondContact O-CG1 3.42Å; A174-I178 PolarHBondContact O-N 3.39Å; Y175-I178 PolarHBondContact O-N 3.4Å; I178-P180 VanDerWaalsContact O-CD 3.29Å; I178-P180 WeakPolarHBondContact O-CD 3.21Å; I178-I255 HydrophobicContact CD1-CG2 3.58Å; I178-I255 HydrophobicContact CG1-CG2 3.79Å
179R90.1Very high86.4Confident123 Ų12380.4 Ų80.446%0.46440%0.402SS..  trans-120.959.6-173.6-64.3-173.6172.1172.5-1.2113.4Y175 L181 R182 A183Y175-R179 PolarHBondContact O-N 3.45Å; Y175-R179 PolarHBondContact OH-NH1 3Å; R179-L181 VanDerWaalsContact C-N 3.3Å; R179-L181 PolarHBondContact O-N 3.21Å; R179-R182 HydrophobicContact CB-CB 4.36Å; R179-R182 PolarHBondContact O-N 3.2Å; R179-A183 PolarHBondContact O-N 3.15Å; R179-A183 VanDerWaalsContact O-N 3.1Å
180P85Confident86.1Confident83 Ų8383.2 Ų83.254%0.53942%0.415SS..Hα-helixtrans-62.9-33.9-172.926.6-35.2000113.1I178I178-P180 VanDerWaalsContact O-CD 3.29Å; I178-P180 WeakPolarHBondContact O-CD 3.21Å
181L76.7Confident86Confident139 Ų13989 Ų8973%0.72845%0.445SS*.Hα-helixtrans-66.9-44.7178.1-61.5178.2000112R179R179-L181 VanDerWaalsContact C-N 3.3Å; R179-L181 PolarHBondContact O-N 3.21Å
182R76.3Confident86Confident177 Ų17792.2 Ų92.267%0.66845%0.453SS*.Hα-helixtrans-71.6-34.7-178.9-165.6169.8-177.1158.6-0.5111.9R179 R184R179-R182 HydrophobicContact CB-CB 4.36Å; R179-R182 PolarHBondContact O-N 3.2Å; R182-R184 VanDerWaalsContact C-N 3.25Å; R182-R184 PolarHBondContact O-N 3.04Å
183A63.7Low86Confident39 Ų3991.2 Ų91.232%0.32245%0.448SS..Hα-helixtrans-65.2-23.1179.300000114.3R179R179-A183 PolarHBondContact O-N 3.15Å; R179-A183 VanDerWaalsContact O-N 3.1Å
184R69.8Low86.1Confident219 Ų21995.3 Ų95.383%0.82647%0.467SS*.Hα-helixtrans-80.3-39.7-173.5-173171177.9139.3-1.9114.3R182R182-R184 VanDerWaalsContact C-N 3.25Å; R182-R184 PolarHBondContact O-N 3.04Å
185N72.2Confident86.2Confident149 Ų149103.7 Ų103.780%0.79750%0.498SS*.Hα-helixtrans-92.2-28.4-171.1-69.712.3000113.1
186S76Confident86.3Confident93 Ų93101.2 Ų101.265%0.6549%0.491SS*.  trans-151.7110.5160.447.20000110.4
187G81.6Confident86.6Confident36 Ų36101.9 Ų101.937%0.37149%0.489SS..PPolyproline II helixtrans-60.3157.8160.900000110.1K189G187-K189 PolarHBondContact O-N 2.88Å
188P86.1Confident86.9Confident56 Ų56105.4 Ų105.436%0.36450%0.503SS..PPolyproline II helixtrans-53.1132.217722.2-32.7000110.1N107 M190 W192 L193N107-P188 PolarHBondContact ND2-O 3.28Å; P188-M190 PolarHBondContact O-N 3.37Å; P188-W192 HydrophobicContact CB-CE3 3.74Å; P188-W192 HydrophobicContact CB-CZ3 4.03Å; P188-L193 HydrophobicContact CB-CD2 4.37Å; P188-L193 HydrophobicContact CB-CG 4.24Å; P188-L193 HydrophobicContact CG-CD1 4.08Å; P188-L193 HydrophobicContact CG-CD2 4.02Å; P188-L193 HydrophobicContact CG-CG 4.05Å
189K91.7Very high87.1Confident172 Ų172106.1 Ų106.175%0.74851%0.507SS*.PPolyproline II helixtrans-51.3132.6-177.4-66.2-179.8178.9178.70109G187 I191 W192 L193G187-K189 PolarHBondContact O-N 2.88Å; K189-I191 PolarHBondContact O-N 3.11Å; K189-I191 VanDerWaalsContact O-N 3.08Å; K189-W192 HydrophobicContact CB-CB 4.5Å; K189-W192 WeakPolarHBondContact O-CA 3.39Å; K189-W192 WeakPolarHBondContact O-CB 3.12Å; K189-W192 PolarHBondContact O-N 2.9Å; K189-L193 PolarHBondContact O-N 3.34Å
190M91.8Very high87.5Confident67 Ų67101 Ų10133%0.3349%0.488SS..Hα-helixtrans-53.8-34.9-177.8-79.8-62.8-64.900112.8Q106 N107 P188 W192 L193 F194Q106-M190 HydrophobicContact CB-CE 3.83Å; Q106-M190 HydrophobicContact CB-SD 3.81Å; N107-M190 HydrophobicContact CB-SD 4.3Å; N107-M190 PolarHBondContact N-SD 2.85Å; P188-M190 PolarHBondContact O-N 3.37Å; M190-W192 VanDerWaalsContact C-N 3.32Å; M190-W192 PolarHBondContact O-N 3.16Å; M190-L193 PolarHBondContact O-N 2.8Å; M190-L193 HydrophobicContact SD-CD1 4.25Å; M190-F194 WeakPolarHBondContact O-CB 3.4Å; M190-F194 PolarHBondContact O-N 3.1Å
191I94.9Very high88.1Confident120 Ų12097.5 Ų97.562%0.61547%0.466SS*.Hα-helixtrans-60.5-38174.1-59.5169.5000112K189 R195K189-I191 PolarHBondContact O-N 3.11Å; K189-I191 VanDerWaalsContact O-N 3.08Å; I191-R195 WeakPolarHBondContact O-CB 3.32Å; I191-R195 VanDerWaalsContact O-CG 3.29Å; I191-R195 WeakPolarHBondContact O-CG 3.49Å; I191-R195 PolarHBondContact O-N 3.01Å
192W95.2Very high89.1Confident146 Ų14695 Ų9555%0.55345%0.452SS*.Hα-helixtrans-72.3-40.2176.8-178.887.5000111.8P188 K189 M190 F194 R195 L196P188-W192 HydrophobicContact CB-CE3 3.74Å; P188-W192 HydrophobicContact CB-CZ3 4.03Å; K189-W192 HydrophobicContact CB-CB 4.5Å; K189-W192 WeakPolarHBondContact O-CA 3.39Å; K189-W192 WeakPolarHBondContact O-CB 3.12Å; K189-W192 PolarHBondContact O-N 2.9Å; M190-W192 VanDerWaalsContact C-N 3.32Å; M190-W192 PolarHBondContact O-N 3.16Å; W192-F194 VanDerWaalsContact C-N 3.35Å; W192-R195 PolarHBondContact O-N 2.89Å; W192-L196 HydrophobicContact CH2-CD2 3.81Å; W192-L196 HydrophobicContact CZ2-CD2 4.44Å; W192-L196 HydrophobicContact CZ3-CD2 3.97Å; W192-L196 WeakPolarHBondContact O-CB 3.27Å; W192-L196 PolarHBondContact O-N 3.01Å
193L95Very high90.1Very high3 Ų389.4 Ų89.42%0.01644%0.44CS..Hα-helixtrans-62.9-41.2172.8-73.6178.7000112N107 W111 P188 K189 M190 L196 W197N107-L193 HydrophobicContact CB-CD1 3.55Å; N107-L193 VanDerWaalsContact ND2-CD1 3.29Å; N107-L193 WeakPolarHBondContact ND2-CD1 3.39Å; W111-L193 HydrophobicContact CZ2-CD2 4.35Å; P188-L193 HydrophobicContact CB-CD2 4.37Å; P188-L193 HydrophobicContact CB-CG 4.24Å; P188-L193 HydrophobicContact CG-CD1 4.08Å; P188-L193 HydrophobicContact CG-CD2 4.02Å; P188-L193 HydrophobicContact CG-CG 4.05Å; K189-L193 PolarHBondContact O-N 3.34Å; M190-L193 PolarHBondContact O-N 2.8Å; M190-L193 HydrophobicContact SD-CD1 4.25Å; L193-L196 PolarHBondContact O-N 3.27Å; L193-W197 VanDerWaalsContact O-CB 3.27Å; L193-W197 WeakPolarHBondContact O-CB 3.43Å; L193-W197 PolarHBondContact O-N 3.23Å
194F96.1Very high91.7Very high114 Ų11487.7 Ų87.750%0.543%0.425SS..Hα-helixtrans-65.9-40.6176.6-172.2-96.6000112I110 M190 W192 W197 F198I110-F194 HydrophobicContact CD1-CD2 4.11Å; M190-F194 WeakPolarHBondContact O-CB 3.4Å; M190-F194 PolarHBondContact O-N 3.1Å; W192-F194 VanDerWaalsContact C-N 3.35Å; F194-W197 HydrophobicContact CD2-CE3 4.05Å; F194-W197 HydrophobicContact CD2-CZ3 4.35Å; F194-W197 AromaticContact CE2-CE3 3.83Å; F194-W197 HydrophobicContact CE2-CE3 3.83Å; F194-W197 AromaticContact CE2-CZ3 3.66Å; F194-W197 HydrophobicContact CE2-CZ3 3.66Å; F194-W197 HydrophobicContact CZ-CE3 4.26Å; F194-W197 AromaticContact CZ-CZ3 3.89Å; F194-W197 HydrophobicContact CZ-CZ3 3.89Å; F194-W197 PolarHBondContact O-N 3.18Å; F194-F198 VanDerWaalsContact O-CB 3.25Å; F194-F198 WeakPolarHBondContact O-CB 3.34Å; F194-F198 PolarHBondContact O-N 3.34Å
195R97.5Very high93Very high180 Ų18081 Ų8168%0.67941%0.405SS*.Hα-helixtrans-62.4-42.3172.1-76.7176.6-179.6-164.5-1.2112.5I191 W192 F198 L199I191-R195 WeakPolarHBondContact O-CB 3.32Å; I191-R195 VanDerWaalsContact O-CG 3.29Å; I191-R195 WeakPolarHBondContact O-CG 3.49Å; I191-R195 PolarHBondContact O-N 3.01Å; W192-R195 PolarHBondContact O-N 2.89Å; R195-F198 PolarHBondContact O-N 3.37Å; R195-L199 VanDerWaalsContact O-CB 3.28Å; R195-L199 WeakPolarHBondContact O-CB 3.2Å; R195-L199 PolarHBondContact O-N 3.26Å
196L96.8Very high94.2Very high50 Ų5079.4 Ų79.426%0.26240%0.396SS..Hα-helixtrans-64.9-46.9177.1177.762.6000111.4W192 L193 L199 I200W192-L196 HydrophobicContact CH2-CD2 3.81Å; W192-L196 HydrophobicContact CZ2-CD2 4.44Å; W192-L196 HydrophobicContact CZ3-CD2 3.97Å; W192-L196 WeakPolarHBondContact O-CB 3.27Å; W192-L196 PolarHBondContact O-N 3.01Å; L193-L196 PolarHBondContact O-N 3.27Å; L196-L199 PolarHBondContact O-N 3.16Å; L196-I200 HydrophobicContact CD1-CD1 3.95Å; L196-I200 HydrophobicContact CD1-CG1 4.41Å; L196-I200 HydrophobicContact CG-CD1 3.96Å; L196-I200 WeakPolarHBondContact O-CD1 3.12Å; L196-I200 VanDerWaalsContact O-CG1 3.27Å; L196-I200 WeakPolarHBondContact O-CG1 3.23Å; L196-I200 PolarHBondContact O-N 3.04Å
197W97.5Very high95.1Very high49 Ų4975.6 Ų75.619%0.18637%0.369CS..Hα-helixtrans-54-52.4173.7172.488.8000111.1I110 W111 S114 W161 M165 L193 F194 L199 I200 S201I110-W197 HydrophobicContact CD1-CB 4.31Å; I110-W197 HydrophobicContact CD1-CD2 4.47Å; I110-W197 HydrophobicContact CD1-CG 4.15Å; W111-W197 HydrophobicContact CH2-CB 4.2Å; W111-W197 HydrophobicContact CZ3-CB 4.37Å; S114-W197 PolarHBondContact OG-NE1 3.47Å; W161-W197 AromaticContact CH2-CE2 3.86Å; W161-W197 HydrophobicContact CH2-CH2 4.26Å; W161-W197 AromaticContact CH2-CZ2 3.55Å; W161-W197 HydrophobicContact CH2-CZ2 3.55Å; W161-W197 AromaticContact CZ2-CE2 3.91Å; W161-W197 AromaticContact CZ2-CZ2 3.71Å; W161-W197 HydrophobicContact CZ2-CZ2 3.71Å; W161-W197 AromaticContact CZ2-NE1 3.76Å; M165-W197 HydrophobicContact CE-CG 4.39Å; M165-W197 VanDerWaalsContact SD-CD1 3.51Å; L193-W197 VanDerWaalsContact O-CB 3.27Å; L193-W197 WeakPolarHBondContact O-CB 3.43Å; L193-W197 PolarHBondContact O-N 3.23Å; F194-W197 HydrophobicContact CD2-CE3 4.05Å; F194-W197 HydrophobicContact CD2-CZ3 4.35Å; F194-W197 AromaticContact CE2-CE3 3.83Å; F194-W197 HydrophobicContact CE2-CE3 3.83Å; F194-W197 AromaticContact CE2-CZ3 3.66Å; F194-W197 HydrophobicContact CE2-CZ3 3.66Å; F194-W197 HydrophobicContact CZ-CE3 4.26Å; F194-W197 AromaticContact CZ-CZ3 3.89Å; F194-W197 HydrophobicContact CZ-CZ3 3.89Å; F194-W197 PolarHBondContact O-N 3.18Å; W197-L199 PolarHBondContact O-N 3.11Å; W197-I200 PolarHBondContact O-N 3.36Å; W197-S201 PolarHBondContact O-N 3.17Å; W197-S201 PolarHBondContact O-OG 3.15Å
198F97.9Very high95.9Very high112 Ų11274.4 Ų74.449%0.49135%0.354SS..Hα-helixtrans-65-37.3180-177.2-105.2000113.5F194 R195 S201 I202F194-F198 VanDerWaalsContact O-CB 3.25Å; F194-F198 WeakPolarHBondContact O-CB 3.34Å; F194-F198 PolarHBondContact O-N 3.34Å; R195-F198 PolarHBondContact O-N 3.37Å; F198-S201 WeakPolarHBondContact O-CB 3.27Å; F198-S201 PolarHBondContact O-N 3.22Å; F198-I202 HydrophobicContact CD1-CD1 3.96Å; F198-I202 HydrophobicContact CE1-CD1 3.44Å; F198-I202 VanDerWaalsContact CE1-CD1 3.44Å; F198-I202 HydrophobicContact CE2-CD1 4.32Å; F198-I202 HydrophobicContact CZ-CD1 3.66Å; F198-I202 PolarHBondContact O-N 3.41Å; F198-I202 VanDerWaalsContact O-N 3.1Å
199L98.1Very high96.4Very high102 Ų10275.5 Ų75.553%0.53436%0.356SS..Hα-helixtrans-63.6-44.8174.6-178.4148.2000110.8R195 L196 W197 I202 C203R195-L199 VanDerWaalsContact O-CB 3.28Å; R195-L199 WeakPolarHBondContact O-CB 3.2Å; R195-L199 PolarHBondContact O-N 3.26Å; L196-L199 PolarHBondContact O-N 3.16Å; W197-L199 PolarHBondContact O-N 3.11Å; L199-I202 PolarHBondContact O-N 3.29Å; L199-C203 PolarHBondContact O-N 3.29Å; L199-C203 PolarHBondContact O-SG 3.38Å
200I97.5Very high96.6Very high14 Ų1468.9 Ų68.97%0.07233%0.331CS..Hα-helixtrans-62.7-44.2175-65.1161.6000110.2W111 Y164 M168 L196 W197 I202 C203 L204W111-I200 HydrophobicContact CH2-CD1 4.39Å; Y164-I200 HydrophobicContact CD1-CG2 4.31Å; M168-I200 HydrophobicContact CE-CD1 3.67Å; M168-I200 HydrophobicContact CG-CD1 3.72Å; M168-I200 HydrophobicContact SD-CD1 3.66Å; L196-I200 HydrophobicContact CD1-CD1 3.95Å; L196-I200 HydrophobicContact CD1-CG1 4.41Å; L196-I200 HydrophobicContact CG-CD1 3.96Å; L196-I200 WeakPolarHBondContact O-CD1 3.12Å; L196-I200 VanDerWaalsContact O-CG1 3.27Å; L196-I200 WeakPolarHBondContact O-CG1 3.23Å; L196-I200 PolarHBondContact O-N 3.04Å; W197-I200 PolarHBondContact O-N 3.36Å; I200-I202 PolarHBondContact O-N 3.4Å; I200-C203 PolarHBondContact O-N 3.18Å; I200-C203 VanDerWaalsContact O-N 3.16Å; I200-L204 HydrophobicContact CG2-CD1 4.03Å; I200-L204 HydrophobicContact CG2-CG 4.24Å; I200-L204 VanDerWaalsContact O-CG 3.31Å; I200-L204 WeakPolarHBondContact O-CG 3.41Å; I200-L204 PolarHBondContact O-N 2.72Å
201S97.5Very high96.8Very high10 Ų1066.1 Ų66.17%0.0732%0.317CS..Hα-helixtrans-52-37.8174.9-57.90000113.4Y157 W161 W197 F198Y157-S201 PolarHBondContact OH-O 2.95Å; W161-S201 WeakPolarHBondContact CH2-OG 3.25Å; W161-S201 VanDerWaalsContact CZ3-CB 3.48Å; W161-S201 WeakPolarHBondContact CZ3-OG 3.07Å; W197-S201 PolarHBondContact O-N 3.17Å; W197-S201 PolarHBondContact O-OG 3.15Å; F198-S201 WeakPolarHBondContact O-CB 3.27Å; F198-S201 PolarHBondContact O-N 3.22Å
202I97.8Very high96.9Very high86 Ų8662.7 Ų62.744%0.44130%0.302SS..Hα-helixtrans-79.8-44.5177.1-68.8171.3000111.4F198 L199 I200 L204 I205F198-I202 HydrophobicContact CD1-CD1 3.96Å; F198-I202 HydrophobicContact CE1-CD1 3.44Å; F198-I202 VanDerWaalsContact CE1-CD1 3.44Å; F198-I202 HydrophobicContact CE2-CD1 4.32Å; F198-I202 HydrophobicContact CZ-CD1 3.66Å; F198-I202 PolarHBondContact O-N 3.41Å; F198-I202 VanDerWaalsContact O-N 3.1Å; L199-I202 PolarHBondContact O-N 3.29Å; I200-I202 PolarHBondContact O-N 3.4Å; I202-L204 PolarHBondContact O-N 3.5Å; I202-I205 VanDerWaalsContact O-CB 3.29Å; I202-I205 WeakPolarHBondContact O-CB 3.17Å; I202-I205 WeakPolarHBondContact O-CG1 3.38Å; I202-I205 PolarHBondContact O-N 2.82Å
203C97.9Very high97Very high60 Ų6060.7 Ų60.741%0.40530%0.302SS..Hα-helixtrans-59.2-31.1178.8-68.90000112.7L199 I200 I205 L206 P207L199-C203 PolarHBondContact O-N 3.29Å; L199-C203 PolarHBondContact O-SG 3.38Å; I200-C203 PolarHBondContact O-N 3.18Å; I200-C203 VanDerWaalsContact O-N 3.16Å; C203-I205 PolarHBondContact O-N 3.45Å; C203-L206 WeakPolarHBondContact O-CB 3.33Å; C203-L206 PolarHBondContact O-N 2.88Å; C203-P207 VanDerWaalsContact O-CD 3.31Å; C203-P207 WeakPolarHBondContact O-CD 3.24Å
204L97.2Very high97.1Very high4 Ų464.9 Ų64.92%0.02132%0.318CS..THydrogen-bonded Turntrans-72-7.4174.9-64.5177.9000114.6Y157 Y160 Y164 I200 I202 I208Y157-L204 HydrophobicContact CD2-CB 4.43Å; Y157-L204 HydrophobicContact CE2-CB 3.96Å; Y160-L204 HydrophobicContact CD1-CD2 4.26Å; Y164-L204 HydrophobicContact CD1-CD2 4.05Å; Y164-L204 HydrophobicContact CD2-CD1 4.28Å; Y164-L204 HydrophobicContact CD2-CD2 3.48Å; Y164-L204 VanDerWaalsContact CD2-CD2 3.48Å; Y164-L204 HydrophobicContact CE1-CD2 4.09Å; Y164-L204 HydrophobicContact CE2-CD2 3.49Å; Y164-L204 VanDerWaalsContact CE2-CD2 3.49Å; Y164-L204 HydrophobicContact CG-CD1 4.12Å; Y164-L204 HydrophobicContact CG-CD2 3.75Å; Y164-L204 HydrophobicContact CG-CG 4.47Å; I200-L204 HydrophobicContact CG2-CD1 4.03Å; I200-L204 HydrophobicContact CG2-CG 4.24Å; I200-L204 VanDerWaalsContact O-CG 3.31Å; I200-L204 WeakPolarHBondContact O-CG 3.41Å; I200-L204 PolarHBondContact O-N 2.72Å; I202-L204 PolarHBondContact O-N 3.5Å; L204-I208 WeakPolarHBondContact O-CG1 3.49Å
205I97.3Very high97.2Very high79 Ų7960.2 Ų60.241%0.40530%0.297SS..THydrogen-bonded Turntrans-74.3-35.5170.1-56.5175000110Y157 I202 C203 I208 L209Y157-I205 HydrophobicContact CE2-CG1 3.82Å; I202-I205 VanDerWaalsContact O-CB 3.29Å; I202-I205 WeakPolarHBondContact O-CB 3.17Å; I202-I205 WeakPolarHBondContact O-CG1 3.38Å; I202-I205 PolarHBondContact O-N 2.82Å; C203-I205 PolarHBondContact O-N 3.45Å; I205-I208 CarbonylContact O-C 3.57Å; I205-I208 WeakPolarHBondContact O-CA 3.32Å; I205-I208 WeakPolarHBondContact O-CB 3.32Å; I205-I208 PolarHBondContact O-N 2.9Å; I205-L209 HydrophobicContact CG2-CD2 4.15Å; I205-L209 PolarHBondContact O-N 3.36Å; I205-L209 VanDerWaalsContact O-N 3.1Å
206L96.9Very high97.2Very high114 Ų11455.9 Ų55.960%0.59728%0.281SS*.G310 helixtrans-54.7-52.6-176.8-60.6175.1000114.3C203 I208 L209C203-L206 WeakPolarHBondContact O-CB 3.33Å; C203-L206 PolarHBondContact O-N 2.88Å; L206-I208 PolarHBondContact O-N 3.35Å; L206-L209 HydrophobicContact CD2-CD1 4.09Å; L206-L209 WeakPolarHBondContact O-CB 3.4Å; L206-L209 PolarHBondContact O-N 2.9Å
207P95.8Very high97.2Very high14 Ų1455.3 Ų55.39%0.09128%0.28CS..G310 helixtrans-69.4-12.7177.430.3-38.2000113.6Y160 C203 P210 N236 V240Y160-P207 HydrophobicContact CD1-CB 4.42Å; Y160-P207 HydrophobicContact CD1-CG 3.8Å; Y160-P207 HydrophobicContact CE1-CB 3.54Å; Y160-P207 HydrophobicContact CE1-CG 3.42Å; Y160-P207 VanDerWaalsContact CE1-CG 3.42Å; C203-P207 VanDerWaalsContact O-CD 3.31Å; C203-P207 WeakPolarHBondContact O-CD 3.24Å; P207-P210 WeakPolarHBondContact O-CD 3.28Å; P207-N236 PolarHBondContact O-ND2 3.32Å; P207-V240 HydrophobicContact CB-CB 4.37Å; P207-V240 HydrophobicContact CB-CG1 4.02Å; P207-V240 HydrophobicContact CG-CG1 4Å
208I96.6Very high97.2Very high10 Ų1056 Ų565%0.05129%0.286CS..G310 helixtrans-90.2-18.6177.6-61.2-61.8000111.9S153 N156 Y157 Y160 L204 I205 L206 P210 Y211 P212S153-I208 WeakPolarHBondContact O-CG2 3.08Å; N156-I208 HydrophobicContact CB-CD1 3.68Å; Y157-I208 HydrophobicContact CD2-CG1 4.26Å; Y160-I208 HydrophobicContact CD2-CD1 3.82Å; Y160-I208 HydrophobicContact CE2-CD1 3.71Å; Y160-I208 HydrophobicContact CG-CD1 4.33Å; L204-I208 WeakPolarHBondContact O-CG1 3.49Å; I205-I208 CarbonylContact O-C 3.57Å; I205-I208 WeakPolarHBondContact O-CA 3.32Å; I205-I208 WeakPolarHBondContact O-CB 3.32Å; I205-I208 PolarHBondContact O-N 2.9Å; L206-I208 PolarHBondContact O-N 3.35Å; I208-P210 VanDerWaalsContact C-N 3.3Å; I208-P210 VanDerWaalsContact O-N 3.14Å; I208-Y211 HydrophobicContact CD1-CD2 4.23Å; I208-Y211 HydrophobicContact CD1-CE2 4.2Å; I208-Y211 HydrophobicContact CG2-CD2 4.27Å; I208-Y211 WeakPolarHBondContact O-CD2 3.39Å; I208-Y211 PolarHBondContact O-N 2.88Å; I208-P212 WeakPolarHBondContact O-CD 3.45Å
209L96.8Very high97Very high80 Ų8059.1 Ų59.142%0.41931%0.308SS..THydrogen-bonded Turntrans-51.8-31.7179.8-69178000116.1I205 L206 Y211 P212 L213I205-L209 HydrophobicContact CG2-CD2 4.15Å; I205-L209 PolarHBondContact O-N 3.36Å; I205-L209 VanDerWaalsContact O-N 3.1Å; L206-L209 HydrophobicContact CD2-CD1 4.09Å; L206-L209 WeakPolarHBondContact O-CB 3.4Å; L206-L209 PolarHBondContact O-N 2.9Å; L209-Y211 VanDerWaalsContact C-N 3.29Å; L209-Y211 PolarHBondContact O-N 3.29Å; L209-P212 VanDerWaalsContact O-CD 3.28Å; L209-P212 WeakPolarHBondContact O-CD 3.34Å; L209-L213 WeakPolarHBondContact O-CD1 3.41Å; L209-L213 VanDerWaalsContact O-CG 3.26Å; L209-L213 WeakPolarHBondContact O-CG 3.3Å
210P96.4Very high96.8Very high32 Ų3256.3 Ų56.321%0.20830%0.303CS..Hα-helixtrans-61.1-32.6174.4-26.837.2000114.2P207 I208 Y214 T233P207-P210 WeakPolarHBondContact O-CD 3.28Å; I208-P210 VanDerWaalsContact C-N 3.3Å; I208-P210 VanDerWaalsContact O-N 3.14Å; P210-Y214 HydrophobicContact CB-CD2 4.18Å; P210-Y214 WeakPolarHBondContact O-CB 3.38Å; P210-Y214 VanDerWaalsContact O-CD2 3.29Å; P210-Y214 WeakPolarHBondContact O-CD2 3.19Å; P210-Y214 PolarHBondContact O-N 2.79Å; P210-T233 HydrophobicContact CB-CG2 3.46Å; P210-T233 VanDerWaalsContact CB-CG2 3.46Å; P210-T233 HydrophobicContact CG-CG2 4.1Å
211Y96.4Very high96.6Very high10 Ų1057.8 Ų57.84%0.03931%0.312CS..Hα-helixtrans-63.1-56.4-177.7-66.6-70.2000113.6T152 S153 N156 I208 L209 L213 Y214 W215 D237T152-Y211 HydrophobicContact CG2-CD1 3.68Å; T152-Y211 HydrophobicContact CG2-CE1 4.08Å; T152-Y211 HydrophobicContact CG2-CG 4.42Å; S153-Y211 WeakPolarHBondContact OG-CB 3.12Å; N156-Y211 HydrophobicContact CB-CE2 4.21Å; N156-Y211 PolarHBondContact ND2-OH 3.32Å; I208-Y211 HydrophobicContact CD1-CD2 4.23Å; I208-Y211 HydrophobicContact CD1-CE2 4.2Å; I208-Y211 HydrophobicContact CG2-CD2 4.27Å; I208-Y211 WeakPolarHBondContact O-CD2 3.39Å; I208-Y211 PolarHBondContact O-N 2.88Å; L209-Y211 VanDerWaalsContact C-N 3.29Å; L209-Y211 PolarHBondContact O-N 3.29Å; Y211-L213 VanDerWaalsContact C-N 3.27Å; Y211-L213 PolarHBondContact O-N 3.08Å; Y211-Y214 PolarHBondContact O-N 3.21Å; Y211-W215 AromaticContact CD1-CD2 3.75Å; Y211-W215 HydrophobicContact CD1-CD2 3.75Å; Y211-W215 AromaticContact CD1-CE2 3.94Å; Y211-W215 AromaticContact CD1-CE3 3.68Å; Y211-W215 HydrophobicContact CD1-CE3 3.68Å; Y211-W215 HydrophobicContact CD1-CG 4.45Å; Y211-W215 HydrophobicContact CD1-CH2 4.05Å; Y211-W215 HydrophobicContact CD1-CZ2 4.1Å; Y211-W215 AromaticContact CD1-CZ3 3.84Å; Y211-W215 HydrophobicContact CD1-CZ3 3.84Å; Y211-W215 HydrophobicContact CE1-CD2 4.34Å; Y211-W215 HydrophobicContact CE1-CE3 4.32Å; Y211-W215 AromaticContact CE1-CH2 3.83Å; Y211-W215 HydrophobicContact CE1-CH2 3.83Å; Y211-W215 AromaticContact CE1-CZ2 3.83Å; Y211-W215 HydrophobicContact CE1-CZ2 3.83Å; Y211-W215 HydrophobicContact CE1-CZ3 4.07Å; Y211-W215 HydrophobicContact CG-CE3 4.45Å; Y211-W215 WeakPolarHBondContact O-CB 3.33Å; Y211-W215 PolarHBondContact O-N 3.17Å; Y211-D237 PolarHBondContact OH-OD1 2.67Å; Y211-D237 PolarHBondContact OH-OD2 3.36Å; Y211-D237 VanDerWaalsContact OH-OD2 3.12Å
212P97.3Very high96.5Very high48 Ų4858 Ų5831%0.31231%0.313SS..Hα-helixtrans-67.8-27.5179.928.5-35.5000113.1V149 S153 I208 L209 R216V149-P212 HydrophobicContact CG1-CB 3.79Å; S153-P212 WeakPolarHBondContact OG-CD 3.27Å; I208-P212 WeakPolarHBondContact O-CD 3.45Å; L209-P212 VanDerWaalsContact O-CD 3.28Å; L209-P212 WeakPolarHBondContact O-CD 3.34Å; P212-R216 PolarHBondContact O-NH1 3.15Å
213L97.3Very high96.3Very high103 Ų10357 Ų5754%0.53931%0.309SS..Hα-helixtrans-68.7-50.8175.9-67.8174.8000111.6L209 Y211 R216L209-L213 WeakPolarHBondContact O-CD1 3.41Å; L209-L213 VanDerWaalsContact O-CG 3.26Å; L209-L213 WeakPolarHBondContact O-CG 3.3Å; Y211-L213 VanDerWaalsContact C-N 3.27Å; Y211-L213 PolarHBondContact O-N 3.08Å; L213-R216 PolarHBondContact O-NH1 2.75Å; L213-R216 PolarHBondContact O-NH2 3.11Å
214Y97.3Very high96.2Very high92 Ų9255 Ų5536%0.36130%0.295SS..Hα-helixtrans-111.6-14.8-163.1-56.8-63.9000116.6P210 Y211 P224 T225 L229P210-Y214 HydrophobicContact CB-CD2 4.18Å; P210-Y214 WeakPolarHBondContact O-CB 3.38Å; P210-Y214 VanDerWaalsContact O-CD2 3.29Å; P210-Y214 WeakPolarHBondContact O-CD2 3.19Å; P210-Y214 PolarHBondContact O-N 2.79Å; Y211-Y214 PolarHBondContact O-N 3.21Å; Y214-P224 WeakPolarHBondContact O-CA 3.25Å; Y214-T225 PolarHBondContact O-N 3.38Å; Y214-L229 HydrophobicContact CD1-CD1 3.54Å; Y214-L229 HydrophobicContact CD2-CD1 3.94Å; Y214-L229 HydrophobicContact CE1-CD1 3.88Å; Y214-L229 HydrophobicContact CE2-CD1 4.25Å; Y214-L229 HydrophobicContact CE2-CD2 4.39Å; Y214-L229 HydrophobicContact CG-CD1 3.58Å
215W97.3Very high96.2Very high16 Ų1658.8 Ų58.86%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-81.8130.5177.6-93.1-108.3000111.9V149 Y211 P224 T233V149-W215 WeakPolarHBondContact CG2-O 3.4Å; Y211-W215 AromaticContact CD1-CD2 3.75Å; Y211-W215 HydrophobicContact CD1-CD2 3.75Å; Y211-W215 AromaticContact CD1-CE2 3.94Å; Y211-W215 AromaticContact CD1-CE3 3.68Å; Y211-W215 HydrophobicContact CD1-CE3 3.68Å; Y211-W215 HydrophobicContact CD1-CG 4.45Å; Y211-W215 HydrophobicContact CD1-CH2 4.05Å; Y211-W215 HydrophobicContact CD1-CZ2 4.1Å; Y211-W215 AromaticContact CD1-CZ3 3.84Å; Y211-W215 HydrophobicContact CD1-CZ3 3.84Å; Y211-W215 HydrophobicContact CE1-CD2 4.34Å; Y211-W215 HydrophobicContact CE1-CE3 4.32Å; Y211-W215 AromaticContact CE1-CH2 3.83Å; Y211-W215 HydrophobicContact CE1-CH2 3.83Å; Y211-W215 AromaticContact CE1-CZ2 3.83Å; Y211-W215 HydrophobicContact CE1-CZ2 3.83Å; Y211-W215 HydrophobicContact CE1-CZ3 4.07Å; Y211-W215 HydrophobicContact CG-CE3 4.45Å; Y211-W215 WeakPolarHBondContact O-CB 3.33Å; Y211-W215 PolarHBondContact O-N 3.17Å; W215-P224 HydrophobicContact CD2-CB 4.13Å; W215-P224 HydrophobicContact CE3-CB 4.04Å; W215-P224 HydrophobicContact CH2-CB 3.77Å; W215-P224 HydrophobicContact CH2-CG 4.07Å; W215-P224 HydrophobicContact CZ2-CB 3.87Å; W215-P224 HydrophobicContact CZ2-CG 3.83Å; W215-P224 HydrophobicContact CZ3-CB 3.86Å; W215-T233 HydrophobicContact CH2-CG2 3.94Å; W215-T233 WeakPolarHBondContact CH2-OG1 3.49Å; W215-T233 HydrophobicContact CZ3-CG2 3.98Å
216R97.9Very high96.1Very high88 Ų8858.1 Ų58.133%0.33232%0.315SS..EExtended strand (participates in β ladder)trans-142.6163.4175.4-60.1-64.7179.1-95.1-5.6108.9P212 L213 I218 D223 T225P212-R216 PolarHBondContact O-NH1 3.15Å; L213-R216 PolarHBondContact O-NH1 2.75Å; L213-R216 PolarHBondContact O-NH2 3.11Å; R216-I218 HydrophobicContact CB-CG1 4.25Å; R216-I218 PolarHBondContact O-N 3.29Å; R216-D223 PolarHBondContact N-O 3.22Å; R216-D223 PolarHBondContact O-N 2.8Å; R216-T225 HydrophobicContact CB-CG2 4.46Å; R216-T225 HydrophobicContact CG-CG2 3.96Å
217V97.5Very high95.8Very high39 Ų3957.7 Ų57.724%0.23632%0.317CS..EExtended strand (participates in β ladder)trans-79.8114.7169-178.20000107.7R141 N145 C148 D221R141-V217 WeakPolarHBondContact O-CG2 3.31Å; N145-V217 PolarHBondContact OD1-N 3.4Å; C148-V217 HydrophobicContact CB-CG2 3.77Å; V217-D221 WeakPolarHBondContact CA-O 3.46Å
218I95.9Very high95.7Very high64 Ų6461.7 Ų61.733%0.32834%0.338SS..EExtended strand (participates in β ladder)trans-125.5125.3-177.6-58.4173.8000107R216 G220 D221 T225R216-I218 HydrophobicContact CB-CG1 4.25Å; R216-I218 PolarHBondContact O-N 3.29Å; I218-G220 PolarHBondContact O-N 2.97Å; I218-D221 PolarHBondContact N-O 2.85Å; I218-D221 PolarHBondContact O-N 3.47Å; I218-D221 VanDerWaalsContact O-O 3.08Å; I218-T225 HydrophobicContact CD1-CG2 4.24Å
219N94.5Very high95.5Very high176 Ų17663.2 Ų63.294%0.94135%0.346SS*.THydrogen-bonded Turntrans54.314.7-175.5-57-33.8000115.6
220G93Very high95.3Very high43 Ų4362.4 Ų62.444%0.44334%0.338SS..THydrogen-bonded Turntrans91.43.1-176.700000115.6D142 I218D142-G220 VanDerWaalsContact CB-O 3.28Å; D142-G220 WeakPolarHBondContact CB-O 3.34Å; I218-G220 PolarHBondContact O-N 2.97Å
221D93.5Very high95Very high46 Ų4665.4 Ų65.425%0.24635%0.349CS..EExtended strand (participates in β ladder)trans-106143.1165.6-89.8-50.6000108.9K133 V217 I218 D223 R441K133-D221 IonicContact NZ-OD1 2.76Å; V217-D221 WeakPolarHBondContact CA-O 3.46Å; I218-D221 PolarHBondContact N-O 2.85Å; I218-D221 PolarHBondContact O-N 3.47Å; I218-D221 VanDerWaalsContact O-O 3.08Å; D221-D223 PolarHBondContact O-N 3.19Å; D221-R441 IonicContact OD2-CZ 2.76Å; D221-R441 IonicContact OD2-NH1 3.94Å; D221-R441 IonicContact OD2-NH2 3.91Å; D221-R441 PolarHBondContact OD2-NH2 3.35Å
222C95.8Very high94.9Very high13 Ų1369.3 Ų69.39%0.08837%0.374CS..EExtended strand (participates in β ladder)trans-81.287.2173.9172.70000112.5R141 D142 C148R141-C222 HydrophobicContact CB-CB 3.58Å; R141-C222 HydrophobicContact CG-CB 4.46Å; D142-C222 WeakPolarHBondContact OD1-CB 3.47Å; D142-C222 PolarHBondContact OD1-N 3.13Å; C148-C222 WeakPolarHBondContact CA-SG 3.5Å; C148-C222 HydrophobicContact CB-CB 3.84Å; C148-C222 WeakPolarHBondContact CB-SG 3.44Å; C148-C222 WeakPolarHBondContact SG-CB 3.35Å; C148-C222 CovalentContact SG-SG 2.03Å; C148-C222 PolarHBondContact SG-SG 3.03Å
223D94.5Very high94.7Very high67 Ų6767.3 Ų67.336%0.35836%0.36SS..EExtended strand (participates in β ladder)trans-123.5163.9-170.1-86.3-31.5000113.2R216 D221R216-D223 PolarHBondContact N-O 3.22Å; R216-D223 PolarHBondContact O-N 2.8Å; D221-D223 PolarHBondContact O-N 3.19Å
224P95.8Very high94.5Very high17 Ų1762.8 Ų62.811%0.1134%0.337CS..EExtended strand (participates in β ladder)trans-74.5148174.528.9-32.2000112.7Y214 W215 N226 Y230Y214-P224 WeakPolarHBondContact O-CA 3.25Å; W215-P224 HydrophobicContact CD2-CB 4.13Å; W215-P224 HydrophobicContact CE3-CB 4.04Å; W215-P224 HydrophobicContact CH2-CB 3.77Å; W215-P224 HydrophobicContact CH2-CG 4.07Å; W215-P224 HydrophobicContact CZ2-CB 3.87Å; W215-P224 HydrophobicContact CZ2-CG 3.83Å; W215-P224 HydrophobicContact CZ3-CB 3.86Å; P224-N226 PolarHBondContact O-N 3.43Å; P224-N226 VanDerWaalsContact O-N 3.14Å; P224-Y230 HydrophobicContact CG-CD2 4.36Å
225T96.3Very high94.4Very high83 Ų8361.3 Ų61.351%0.50934%0.335SS..SBendtrans-66.7-10.7179.754.30000115.7Y214 R216 I218Y214-T225 PolarHBondContact O-N 3.38Å; R216-T225 HydrophobicContact CB-CG2 4.46Å; R216-T225 HydrophobicContact CG-CG2 3.96Å; I218-T225 HydrophobicContact CD1-CG2 4.24Å
226N95.4Very high94.2Very high66 Ų6662.5 Ų62.535%0.35334%0.343SS..SBendtrans-143.2136.5170.6178.72.5000109P224 D228 L229P224-N226 PolarHBondContact O-N 3.43Å; P224-N226 VanDerWaalsContact O-N 3.14Å; N226-D228 VanDerWaalsContact C-N 3.29Å; N226-D228 PolarHBondContact ND2-OD2 3.28Å; N226-D228 PolarHBondContact O-N 2.92Å; N226-D228 PolarHBondContact OD1-N 3.11Å; N226-D228 PolarHBondContact OD1-OD2 3.02Å; N226-L229 HydrophobicContact CB-CD1 3.98Å; N226-L229 HydrophobicContact CB-CG 4.13Å; N226-L229 WeakPolarHBondContact O-CB 3.11Å; N226-L229 PolarHBondContact O-N 3.49Å
227T91.2Very high94.1Very high104 Ų10459 Ų5964%0.63833%0.33SS*.Hα-helixtrans-57.4-35.1173.4430000113.5L229 Y230T227-L229 PolarHBondContact O-N 2.93Å; T227-Y230 VanDerWaalsContact O-CB 3.24Å; T227-Y230 WeakPolarHBondContact O-CB 3.26Å; T227-Y230 PolarHBondContact O-N 3.37Å
228D93.4Very high93.9Very high99 Ų9958.3 Ų58.353%0.52932%0.324SS..Hα-helixtrans-63.8-34.9-179.9-51.2-36.4000111.5N226 Y230 H231 V232N226-D228 VanDerWaalsContact C-N 3.29Å; N226-D228 PolarHBondContact ND2-OD2 3.28Å; N226-D228 PolarHBondContact O-N 2.92Å; N226-D228 PolarHBondContact OD1-N 3.11Å; N226-D228 PolarHBondContact OD1-OD2 3.02Å; D228-Y230 VanDerWaalsContact C-N 3.25Å; D228-Y230 PolarHBondContact O-N 3.39Å; D228-H231 PolarHBondContact O-N 2.96Å; D228-V232 WeakPolarHBondContact O-CG2 3.42Å; D228-V232 PolarHBondContact O-N 3.14Å
229L93Very high93.9Very high41 Ų4158.6 Ų58.622%0.21533%0.326CS..Hα-helixtrans-68.7-25.4177.8-60.5172.8000111.7Y214 N226 T227 T233Y214-L229 HydrophobicContact CD1-CD1 3.54Å; Y214-L229 HydrophobicContact CD2-CD1 3.94Å; Y214-L229 HydrophobicContact CE1-CD1 3.88Å; Y214-L229 HydrophobicContact CE2-CD1 4.25Å; Y214-L229 HydrophobicContact CE2-CD2 4.39Å; Y214-L229 HydrophobicContact CG-CD1 3.58Å; N226-L229 HydrophobicContact CB-CD1 3.98Å; N226-L229 HydrophobicContact CB-CG 4.13Å; N226-L229 WeakPolarHBondContact O-CB 3.11Å; N226-L229 PolarHBondContact O-N 3.49Å; T227-L229 PolarHBondContact O-N 2.93Å; L229-T233 WeakPolarHBondContact O-CB 3.13Å; L229-T233 VanDerWaalsContact O-CG2 3.27Å; L229-T233 WeakPolarHBondContact O-CG2 3.28Å; L229-T233 PolarHBondContact O-N 2.67Å; L229-T233 PolarHBondContact O-OG1 3.19Å
230Y91.1Very high94Very high64 Ų6451.5 Ų51.525%0.25129%0.289SS..Hα-helixtrans-65.1-42.3171.6-177.4-96.4000111.6P224 T227 D228 T233 T234 L432 H444P224-Y230 HydrophobicContact CG-CD2 4.36Å; T227-Y230 VanDerWaalsContact O-CB 3.24Å; T227-Y230 WeakPolarHBondContact O-CB 3.26Å; T227-Y230 PolarHBondContact O-N 3.37Å; D228-Y230 VanDerWaalsContact C-N 3.25Å; D228-Y230 PolarHBondContact O-N 3.39Å; Y230-T233 WeakPolarHBondContact CA-OG1 3.41Å; Y230-T233 PolarHBondContact O-OG1 2.99Å; Y230-T233 VanDerWaalsContact O-OG1 3.12Å; Y230-T234 HydrophobicContact CD1-CG2 4.34Å; Y230-T234 HydrophobicContact CD2-CG2 4.42Å; Y230-T234 HydrophobicContact CE1-CG2 3.98Å; Y230-T234 HydrophobicContact CE2-CG2 4.08Å; Y230-T234 WeakPolarHBondContact O-CB 3.36Å; Y230-T234 WeakPolarHBondContact O-CG2 3.44Å; Y230-T234 PolarHBondContact O-N 3.41Å; Y230-T234 PolarHBondContact O-OG1 3.03Å; Y230-L432 HydrophobicContact CE1-CD2 4.23Å; Y230-H444 PolarHBondContact OH-CE1 3.46Å
231H91.3Very high94.1Very high94 Ų9449.7 Ų49.744%0.43527%0.269SS..Hα-helixtrans-67.5-46.8175.5-70.8-73.7000111.7D228 T233 T234 L235D228-H231 PolarHBondContact O-N 2.96Å; H231-T233 VanDerWaalsContact C-N 3.32Å; H231-T233 PolarHBondContact O-N 2.93Å; H231-T234 PolarHBondContact O-N 3.42Å; H231-T234 PolarHBondContact O-OG1 2.9Å; H231-L235 VanDerWaalsContact O-CB 3.23Å; H231-L235 WeakPolarHBondContact O-CB 3.46Å; H231-L235 PolarHBondContact O-N 3.27Å
232V93.5Very high94Very high93 Ų9347.5 Ų47.556%0.56426%0.257SS*.Hα-helixtrans-60.1-40.7177.21760000112D228 N236D228-V232 WeakPolarHBondContact O-CG2 3.42Å; D228-V232 PolarHBondContact O-N 3.14Å; V232-N236 VanDerWaalsContact O-CB 3.3Å; V232-N236 WeakPolarHBondContact O-CB 3.27Å; V232-N236 PolarHBondContact O-N 2.94Å
233T93.7Very high94Very high5 Ų550 Ų503%0.03127%0.269CS..Hα-helixtrans-74.6-41.5179.150.20000113.5P210 W215 L229 Y230 H231 L235 N236 D237P210-T233 HydrophobicContact CB-CG2 3.46Å; P210-T233 VanDerWaalsContact CB-CG2 3.46Å; P210-T233 HydrophobicContact CG-CG2 4.1Å; W215-T233 HydrophobicContact CH2-CG2 3.94Å; W215-T233 WeakPolarHBondContact CH2-OG1 3.49Å; W215-T233 HydrophobicContact CZ3-CG2 3.98Å; L229-T233 WeakPolarHBondContact O-CB 3.13Å; L229-T233 VanDerWaalsContact O-CG2 3.27Å; L229-T233 WeakPolarHBondContact O-CG2 3.28Å; L229-T233 PolarHBondContact O-N 2.67Å; L229-T233 PolarHBondContact O-OG1 3.19Å; Y230-T233 WeakPolarHBondContact CA-OG1 3.41Å; Y230-T233 PolarHBondContact O-OG1 2.99Å; Y230-T233 VanDerWaalsContact O-OG1 3.12Å; H231-T233 VanDerWaalsContact C-N 3.32Å; H231-T233 PolarHBondContact O-N 2.93Å; T233-L235 VanDerWaalsContact C-N 3.31Å; T233-L235 PolarHBondContact O-N 3.32Å; T233-N236 CarbonylContact O-C 3.5Å; T233-N236 WeakPolarHBondContact O-CB 3.33Å; T233-N236 PolarHBondContact O-N 3.17Å; T233-D237 PolarHBondContact O-N 2.89Å
234T93Very high94.1Very high9 Ų950.7 Ų50.76%0.05527%0.272CS..Hα-helixtrans-68-31.4176.355.70000112.4Y230 H231 F238 L429 N433Y230-T234 HydrophobicContact CD1-CG2 4.34Å; Y230-T234 HydrophobicContact CD2-CG2 4.42Å; Y230-T234 HydrophobicContact CE1-CG2 3.98Å; Y230-T234 HydrophobicContact CE2-CG2 4.08Å; Y230-T234 WeakPolarHBondContact O-CB 3.36Å; Y230-T234 WeakPolarHBondContact O-CG2 3.44Å; Y230-T234 PolarHBondContact O-N 3.41Å; Y230-T234 PolarHBondContact O-OG1 3.03Å; H231-T234 PolarHBondContact O-N 3.42Å; H231-T234 PolarHBondContact O-OG1 2.9Å; T234-F238 WeakPolarHBondContact O-CB 3.14Å; T234-F238 PolarHBondContact O-N 3.41Å; T234-L429 HydrophobicContact CG2-CD2 4.44Å; T234-N433 PolarHBondContact OG1-ND2 2.83Å; T234-N433 PolarHBondContact OG1-OD1 2.85Å
235L94.1Very high94.2Very high61 Ų6150 Ų5032%0.31927%0.267SS..Hα-helixtrans-67.3-42.1169.1-177.763.1000111.9H231 T233 F238 I239 F434H231-L235 VanDerWaalsContact O-CB 3.23Å; H231-L235 WeakPolarHBondContact O-CB 3.46Å; H231-L235 PolarHBondContact O-N 3.27Å; T233-L235 VanDerWaalsContact C-N 3.31Å; T233-L235 PolarHBondContact O-N 3.32Å; L235-F238 HydrophobicContact CD1-CD1 4.34Å; L235-F238 PolarHBondContact O-N 2.84Å; L235-I239 HydrophobicContact CD1-CD1 4.12Å; L235-I239 HydrophobicContact CD1-CG1 4.49Å; L235-I239 HydrophobicContact CG-CD1 4.06Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 3.31Å; L235-F434 HydrophobicContact CD1-CE2 4.49Å; L235-F434 HydrophobicContact CD1-CZ 3.94Å
236N94.6Very high94.1Very high41 Ų4147.2 Ų47.222%0.21925%0.249CC..Hα-helixtrans-62.9-42.1173.8170.980.4000112.2Y160 P207 V232 T233 I239 V240Y160-N236 PolarHBondContact OH-ND2 3.31Å; P207-N236 PolarHBondContact O-ND2 3.32Å; V232-N236 VanDerWaalsContact O-CB 3.3Å; V232-N236 WeakPolarHBondContact O-CB 3.27Å; V232-N236 PolarHBondContact O-N 2.94Å; T233-N236 CarbonylContact O-C 3.5Å; T233-N236 WeakPolarHBondContact O-CB 3.33Å; T233-N236 PolarHBondContact O-N 3.17Å; N236-I239 PolarHBondContact O-N 3.08Å; N236-V240 WeakPolarHBondContact O-CB 3.45Å; N236-V240 WeakPolarHBondContact O-CG2 3.44Å; N236-V240 PolarHBondContact O-N 3.43Å
237D94.1Very high94.2Very high13 Ų1348.5 Ų48.57%0.0726%0.255CS..Iπ-helixtrans-58.9-48.2171.1-89.98.5000111.5Y160 Y211 T233 I239 W241 G242Y160-D237 VanDerWaalsContact CE2-OD1 3.29Å; Y160-D237 WeakPolarHBondContact CE2-OD1 3.46Å; Y160-D237 VanDerWaalsContact CZ-OD1 3.32Å; Y160-D237 WeakPolarHBondContact OH-CA 3.49Å; Y160-D237 PolarHBondContact OH-OD1 2.99Å; Y211-D237 PolarHBondContact OH-OD1 2.67Å; Y211-D237 PolarHBondContact OH-OD2 3.36Å; Y211-D237 VanDerWaalsContact OH-OD2 3.12Å; T233-D237 PolarHBondContact O-N 2.89Å; D237-I239 VanDerWaalsContact C-N 3.33Å; D237-I239 PolarHBondContact O-N 2.79Å; D237-W241 WeakPolarHBondContact O-CA 3.31Å; D237-W241 WeakPolarHBondContact O-CB 3.24Å; D237-W241 PolarHBondContact O-N 3.49Å; D237-G242 PolarHBondContact O-N 3.12Å
238F94.9Very high94.5Very high25 Ų2543.8 Ų43.811%0.1123%0.227CC..Iπ-helixtrans-57.9-43.6177.9169.8-100.9000112.2T234 L235 G242 L243 I426 L429 M430T234-F238 WeakPolarHBondContact O-CB 3.14Å; T234-F238 PolarHBondContact O-N 3.41Å; L235-F238 HydrophobicContact CD1-CD1 4.34Å; L235-F238 PolarHBondContact O-N 2.84Å; F238-G242 CarbonylContact O-C 3.54Å; F238-G242 VanDerWaalsContact O-CA 3.32Å; F238-G242 WeakPolarHBondContact O-CA 3.37Å; F238-G242 PolarHBondContact O-N 2.72Å; F238-L243 PolarHBondContact O-N 2.91Å; F238-I426 HydrophobicContact CD2-CG2 3.96Å; F238-I426 HydrophobicContact CE2-CG2 3.6Å; F238-L429 HydrophobicContact CB-CB 4.42Å; F238-L429 HydrophobicContact CD2-CB 4.47Å; F238-M430 HydrophobicContact CD2-CB 4.24Å; F238-M430 HydrophobicContact CE2-CB 3.68Å; F238-M430 HydrophobicContact CE2-CG 4.12Å; F238-M430 HydrophobicContact CE2-SD 4.49Å; F238-M430 HydrophobicContact CZ-CB 4.12Å; F238-M430 HydrophobicContact CZ-CG 4.04Å; F238-M430 HydrophobicContact CZ-SD 4.29Å
239I95.8Very high94.7Very high70 Ų7039 Ų3936%0.35920%0.202SC..Iπ-helixtrans-75-53.9179.9-65.1168.7000111.6L235 N236 D237 L243 I244L235-I239 HydrophobicContact CD1-CD1 4.12Å; L235-I239 HydrophobicContact CD1-CG1 4.49Å; L235-I239 HydrophobicContact CG-CD1 4.06Å; L235-I239 WeakPolarHBondContact O-CG1 3.47Å; L235-I239 PolarHBondContact O-N 3.31Å; N236-I239 PolarHBondContact O-N 3.08Å; D237-I239 VanDerWaalsContact C-N 3.33Å; D237-I239 PolarHBondContact O-N 2.79Å; I239-L243 WeakPolarHBondContact O-CB 3.43Å; I239-L243 PolarHBondContact O-N 3.15Å; I239-I244 HydrophobicContact CG2-CD1 4.3Å; I239-I244 WeakPolarHBondContact O-CG1 3.24Å; I239-I244 PolarHBondContact O-N 3.05Å
240V96.1Very high94.8Very high27 Ų2739.6 Ų39.616%0.16421%0.207CC..Iπ-helixtrans-87.3-42.2-165.4-171.90000111.9Y160 Y164 P207 N236 P245Y160-V240 HydrophobicContact CD1-CG1 4.26Å; Y160-V240 HydrophobicContact CE1-CB 3.9Å; Y160-V240 HydrophobicContact CE1-CG1 3.74Å; Y164-V240 VanDerWaalsContact CE2-O 3.24Å; Y164-V240 WeakPolarHBondContact CE2-O 3.44Å; Y164-V240 WeakPolarHBondContact OH-CG1 3.29Å; Y164-V240 PolarHBondContact OH-O 2.7Å; P207-V240 HydrophobicContact CB-CB 4.37Å; P207-V240 HydrophobicContact CB-CG1 4.02Å; P207-V240 HydrophobicContact CG-CG1 4Å; N236-V240 WeakPolarHBondContact O-CB 3.45Å; N236-V240 WeakPolarHBondContact O-CG2 3.44Å; N236-V240 PolarHBondContact O-N 3.43Å; V240-P245 WeakPolarHBondContact O-CD 3.46Å
241W94Very high95.1Very high5 Ų538.9 Ų38.92%0.01921%0.211CC..Iπ-helixtrans-82.4-42.5173.3163.780000112.4F159 Y160 D237 P245 T422 L425 I426 L429F159-W241 HydrophobicContact CD1-CZ2 4.39Å; F159-W241 PolarHBondContact O-NE1 3Å; Y160-W241 HydrophobicContact CD1-CB 4.06Å; Y160-W241 HydrophobicContact CD2-CB 3.72Å; Y160-W241 HydrophobicContact CD2-CG 4.16Å; Y160-W241 HydrophobicContact CE1-CB 3.91Å; Y160-W241 HydrophobicContact CE2-CB 3.59Å; Y160-W241 HydrophobicContact CE2-CG 4.33Å; Y160-W241 HydrophobicContact CG-CB 4Å; D237-W241 WeakPolarHBondContact O-CA 3.31Å; D237-W241 WeakPolarHBondContact O-CB 3.24Å; D237-W241 PolarHBondContact O-N 3.49Å; W241-P245 WeakPolarHBondContact O-CD 3.18Å; W241-P245 VanDerWaalsContact O-CG 3.31Å; W241-P245 WeakPolarHBondContact O-CG 3.49Å; W241-T422 HydrophobicContact CH2-CG2 3.3Å; W241-T422 HydrophobicContact CZ2-CG2 3.38Å; W241-T422 HydrophobicContact CZ3-CG2 4.27Å; W241-L425 HydrophobicContact CH2-CB 4.34Å; W241-L425 HydrophobicContact CH2-CD2 3.69Å; W241-L425 HydrophobicContact CH2-CG 4.08Å; W241-L425 HydrophobicContact CZ3-CD2 4.14Å; W241-L425 HydrophobicContact CZ3-CG 4.24Å; W241-I426 HydrophobicContact CH2-CG1 4.42Å; W241-I426 HydrophobicContact CZ3-CG1 4.05Å; W241-L429 HydrophobicContact CZ3-CD1 4.21Å
242G93Very high95.4Very high0 Ų034.6 Ų34.60%019%0.192CC..Iπ-helixtrans-77.4-75.2-178.500000113D237 F238 L246D237-G242 PolarHBondContact O-N 3.12Å; F238-G242 CarbonylContact O-C 3.54Å; F238-G242 VanDerWaalsContact O-CA 3.32Å; F238-G242 WeakPolarHBondContact O-CA 3.37Å; F238-G242 PolarHBondContact O-N 2.72Å; G242-L246 WeakPolarHBondContact O-CB 3.47Å; G242-L246 PolarHBondContact O-N 3.48Å
243L94.9Very high95.6Very high67 Ų6731 Ų3135%0.35117%0.17SC..Iπ-helixtrans-69.1-45.5-162.8-172.763000113.7F238 I239 L246 I247F238-L243 PolarHBondContact O-N 2.91Å; I239-L243 WeakPolarHBondContact O-CB 3.43Å; I239-L243 PolarHBondContact O-N 3.15Å; L243-L246 PolarHBondContact O-N 2.92Å; L243-I247 HydrophobicContact CD1-CD1 3.89Å; L243-I247 HydrophobicContact CD1-CG1 4.23Å; L243-I247 HydrophobicContact CG-CD1 3.8Å; L243-I247 HydrophobicContact CG-CG1 4.48Å; L243-I247 VanDerWaalsContact O-CG1 3.32Å; L243-I247 WeakPolarHBondContact O-CG1 3.42Å; L243-I247 PolarHBondContact O-N 2.69Å
244I96.9Very high95.7Very high81 Ų8135.3 Ų35.342%0.41520%0.196SC..Hα-helixtrans-65-51.5-176.1-70171.8000112.3Y164 I239 L246 I247 G248Y164-I244 HydrophobicContact CE1-CG2 4.32Å; I239-I244 HydrophobicContact CG2-CD1 4.3Å; I239-I244 WeakPolarHBondContact O-CG1 3.24Å; I239-I244 PolarHBondContact O-N 3.05Å; I244-L246 VanDerWaalsContact C-N 3.3Å; I244-L246 PolarHBondContact O-N 3.32Å; I244-I247 PolarHBondContact O-N 3.48Å; I244-G248 PolarHBondContact O-N 3.35Å
245P97.1Very high95.9Very high1 Ų138 Ų381%0.00621%0.21CC..Hα-helixtrans-60.9-38.4175-28.739000113A163 Y164 S167 V240 W241 G248 M249A163-P245 HydrophobicContact CB-CB 3.97Å; A163-P245 HydrophobicContact CB-CG 4.07Å; Y164-P245 HydrophobicContact CD2-CG 3.55Å; Y164-P245 HydrophobicContact CE2-CG 3.4Å; Y164-P245 HydrophobicContact CG-CG 4.27Å; S167-P245 PolarHBondContact OG-O 3.26Å; V240-P245 WeakPolarHBondContact O-CD 3.46Å; W241-P245 WeakPolarHBondContact O-CD 3.18Å; W241-P245 VanDerWaalsContact O-CG 3.31Å; W241-P245 WeakPolarHBondContact O-CG 3.49Å; P245-G248 PolarHBondContact O-N 2.93Å; P245-M249 HydrophobicContact CB-CE 3.95Å; P245-M249 WeakPolarHBondContact O-CE 3.21Å; P245-M249 WeakPolarHBondContact O-CG 3.44Å; P245-M249 PolarHBondContact O-N 3.15Å
246L95.8Very high96Very high26 Ų2635.1 Ų35.114%0.13619%0.194CC..Hα-helixtrans-60.3-50.1176.6176.961.9000111.5G242 L243 I244 G248 M249 T250 M419 I426G242-L246 WeakPolarHBondContact O-CB 3.47Å; G242-L246 PolarHBondContact O-N 3.48Å; L243-L246 PolarHBondContact O-N 2.92Å; I244-L246 VanDerWaalsContact C-N 3.3Å; I244-L246 PolarHBondContact O-N 3.32Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 3.48Å; L246-M249 PolarHBondContact O-N 2.91Å; L246-M249 VanDerWaalsContact O-N 3.15Å; L246-T250 HydrophobicContact CD1-CG2 4.03Å; L246-T250 HydrophobicContact CG-CG2 4.45Å; L246-T250 WeakPolarHBondContact O-CG2 3.39Å; L246-T250 PolarHBondContact O-N 2.94Å; L246-T250 PolarHBondContact O-OG1 3.32Å; L246-M419 HydrophobicContact CD1-CE 4.33Å; L246-M419 HydrophobicContact CD1-CG 3.62Å; L246-M419 HydrophobicContact CD1-SD 4.45Å; L246-I426 HydrophobicContact CD2-CD1 4.21Å
247I96.8Very high96Very high93 Ų9334.9 Ų34.948%0.47720%0.196SC..Hα-helixtrans-59.9-41.3175.7-70.2169.7000111L243 I244 M249 T250 S251L243-I247 HydrophobicContact CD1-CD1 3.89Å; L243-I247 HydrophobicContact CD1-CG1 4.23Å; L243-I247 HydrophobicContact CG-CD1 3.8Å; L243-I247 HydrophobicContact CG-CG1 4.48Å; L243-I247 VanDerWaalsContact O-CG1 3.32Å; L243-I247 WeakPolarHBondContact O-CG1 3.42Å; L243-I247 PolarHBondContact O-N 2.69Å; I244-I247 PolarHBondContact O-N 3.48Å; I247-M249 VanDerWaalsContact C-N 3.33Å; I247-M249 PolarHBondContact O-N 3.1Å; I247-T250 WeakPolarHBondContact CA-OG1 3.32Å; I247-T250 PolarHBondContact O-OG1 3.2Å; I247-S251 VanDerWaalsContact O-CB 3.27Å; I247-S251 WeakPolarHBondContact O-CB 3.16Å; I247-S251 PolarHBondContact O-N 2.99Å; I247-S251 PolarHBondContact O-OG 3.05Å
248G97.1Very high96.1Very high4 Ų443 Ų434%0.04123%0.225CC..Hα-helixtrans-62.8-36.6175.500000113.6S167 I244 P245 L246 S251 S252S167-G248 WeakPolarHBondContact OG-CA 3.48Å; I244-G248 PolarHBondContact O-N 3.35Å; P245-G248 PolarHBondContact O-N 2.93Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 3.48Å; G248-S251 PolarHBondContact O-OG 3.39Å; G248-S252 WeakPolarHBondContact O-CB 3.46Å; G248-S252 PolarHBondContact O-N 2.84Å; G248-S252 PolarHBondContact O-OG 3.3Å
249M97.1Very high96.1Very high0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-78.1-41.9177.1-76.7-176.2-86.300113.1Q166 S167 P245 L246 I247 T253 Y418 M419Q166-M249 HydrophobicContact CB-SD 4.16Å; Q166-M249 HydrophobicContact CG-SD 3.7Å; S167-M249 PolarHBondContact OG-N 3.31Å; P245-M249 HydrophobicContact CB-CE 3.95Å; P245-M249 WeakPolarHBondContact O-CE 3.21Å; P245-M249 WeakPolarHBondContact O-CG 3.44Å; P245-M249 PolarHBondContact O-N 3.15Å; L246-M249 PolarHBondContact O-N 2.91Å; L246-M249 VanDerWaalsContact O-N 3.15Å; I247-M249 VanDerWaalsContact C-N 3.33Å; I247-M249 PolarHBondContact O-N 3.1Å; M249-T253 WeakPolarHBondContact O-CB 3.44Å; M249-T253 PolarHBondContact O-N 2.98Å; M249-T253 PolarHBondContact O-OG1 3.04Å; M249-Y418 HydrophobicContact CE-CD1 3.52Å; M249-Y418 HydrophobicContact CE-CD2 4.09Å; M249-Y418 HydrophobicContact CE-CE1 3.46Å; M249-Y418 VanDerWaalsContact CE-CE1 3.46Å; M249-Y418 HydrophobicContact CE-CE2 4.03Å; M249-Y418 HydrophobicContact CE-CG 3.87Å; M249-Y418 HydrophobicContact SD-CD1 4.14Å; M249-Y418 HydrophobicContact SD-CD2 4.4Å; M249-Y418 HydrophobicContact SD-CG 4.05Å; M249-M419 HydrophobicContact CB-CE 3.91Å
250T96.8Very high95.9Very high52 Ų5242.6 Ų42.632%0.31923%0.225SC..Hα-helixtrans-64.2-52.2177.354.40000110.7L246 I247 S252 T253 V254 M419L246-T250 HydrophobicContact CD1-CG2 4.03Å; L246-T250 HydrophobicContact CG-CG2 4.45Å; L246-T250 WeakPolarHBondContact O-CG2 3.39Å; L246-T250 PolarHBondContact O-N 2.94Å; L246-T250 PolarHBondContact O-OG1 3.32Å; I247-T250 WeakPolarHBondContact CA-OG1 3.32Å; I247-T250 PolarHBondContact O-OG1 3.2Å; T250-S252 PolarHBondContact O-N 3.26Å; T250-T253 PolarHBondContact O-N 2.8Å; T250-T253 VanDerWaalsContact O-N 3.08Å; T250-V254 WeakPolarHBondContact O-CG2 3.32Å; T250-V254 PolarHBondContact O-N 3.06Å; T250-M419 HydrophobicContact CG2-CE 3.49Å; T250-M419 VanDerWaalsContact CG2-CE 3.49Å; T250-M419 HydrophobicContact CG2-SD 3.95Å
251S97.5Very high95.8Very high50 Ų5047.5 Ų47.535%0.3524%0.244SC..Hα-helixtrans-57.4-47.9178.658.70000112I247 G248 T253 V254 I255I247-S251 VanDerWaalsContact O-CB 3.27Å; I247-S251 WeakPolarHBondContact O-CB 3.16Å; I247-S251 PolarHBondContact O-N 2.99Å; I247-S251 PolarHBondContact O-OG 3.05Å; G248-S251 PolarHBondContact O-OG 3.39Å; S251-T253 VanDerWaalsContact C-N 3.32Å; S251-T253 PolarHBondContact O-N 3.31Å; S251-V254 PolarHBondContact O-N 3.3Å; S251-I255 WeakPolarHBondContact O-CB 3.14Å; S251-I255 WeakPolarHBondContact O-CD1 3.47Å; S251-I255 VanDerWaalsContact O-CG1 3.24Å; S251-I255 WeakPolarHBondContact O-CG1 3.35Å; S251-I255 PolarHBondContact O-N 3.14Å
252S97.3Very high95.9Very high4 Ų455 Ų553%0.02827%0.272CS..Hα-helixtrans-57.4-44174.1-64.60000112.1M171 G248 T250 I255 I256M171-S252 WeakPolarHBondContact CA-OG 3.25Å; M171-S252 WeakPolarHBondContact CG-OG 3.44Å; M171-S252 PolarHBondContact N-OG 2.85Å; G248-S252 WeakPolarHBondContact O-CB 3.46Å; G248-S252 PolarHBondContact O-N 2.84Å; G248-S252 PolarHBondContact O-OG 3.3Å; T250-S252 PolarHBondContact O-N 3.26Å; S252-I255 PolarHBondContact O-N 2.86Å; S252-I256 VanDerWaalsContact O-CB 3.32Å; S252-I256 WeakPolarHBondContact O-CB 3.3Å; S252-I256 WeakPolarHBondContact O-CD1 3.5Å; S252-I256 WeakPolarHBondContact O-CG1 3.4Å; S252-I256 PolarHBondContact O-N 3.14Å
253T96.8Very high95.8Very high16 Ų1659.6 Ų59.610%0.09830%0.296CS..Hα-helixtrans-67.3-42.8-179.1-58.20000111.7M249 T250 S251 I256 C257 V412 N415M249-T253 WeakPolarHBondContact O-CB 3.44Å; M249-T253 PolarHBondContact O-N 2.98Å; M249-T253 PolarHBondContact O-OG1 3.04Å; T250-T253 PolarHBondContact O-N 2.8Å; T250-T253 VanDerWaalsContact O-N 3.08Å; S251-T253 VanDerWaalsContact C-N 3.32Å; S251-T253 PolarHBondContact O-N 3.31Å; T253-I256 PolarHBondContact O-N 3.34Å; T253-C257 WeakPolarHBondContact O-CB 3.38Å; T253-C257 PolarHBondContact O-N 2.87Å; T253-C257 PolarHBondContact O-SG 3.11Å; T253-C257 VanDerWaalsContact O-SG 3.37Å; T253-V412 HydrophobicContact CG2-CG1 4.06Å; T253-V412 HydrophobicContact CG2-CG2 4.28Å; T253-N415 PolarHBondContact OG1-ND2 3.44Å
254V97.1Very high95.6Very high97 Ų9763.2 Ų63.259%0.58831%0.305SS*.Hα-helixtrans-62-47.9175171.10000110.6T250 S251 I256 C257 W258T250-V254 WeakPolarHBondContact O-CG2 3.32Å; T250-V254 PolarHBondContact O-N 3.06Å; S251-V254 PolarHBondContact O-N 3.3Å; V254-I256 VanDerWaalsContact C-N 3.33Å; V254-I256 PolarHBondContact O-N 3.14Å; V254-C257 PolarHBondContact O-N 3.06Å; V254-W258 VanDerWaalsContact O-CB 3.23Å; V254-W258 WeakPolarHBondContact O-CB 3.42Å; V254-W258 PolarHBondContact O-N 3.07Å
255I97Very high95.5Very high65 Ų6565 Ų6533%0.33331%0.31SS..Hα-helixtrans-58.8-43.4176.2-72.6167.5000111.4A174 I178 S251 S252 N259A174-I255 HydrophobicContact CB-CB 4.49Å; A174-I255 HydrophobicContact CB-CG2 4.02Å; I178-I255 HydrophobicContact CD1-CG2 3.58Å; I178-I255 HydrophobicContact CG1-CG2 3.79Å; S251-I255 WeakPolarHBondContact O-CB 3.14Å; S251-I255 WeakPolarHBondContact O-CD1 3.47Å; S251-I255 VanDerWaalsContact O-CG1 3.24Å; S251-I255 WeakPolarHBondContact O-CG1 3.35Å; S251-I255 PolarHBondContact O-N 3.14Å; S252-I255 PolarHBondContact O-N 2.86Å; I255-N259 PolarHBondContact O-N 3.42Å; I255-N259 VanDerWaalsContact O-N 3.11Å; I255-N259 PolarHBondContact O-ND2 3.34Å
256I95.5Very high95.3Very high0 Ų068 Ų680%033%0.331CS..Hα-helixtrans-62.5-51177.7-75.9168.3000110.6R173 A174 I177 S252 T253 V254 N259 I260 T408 L411 V412R173-I256 HydrophobicContact CB-CD1 4.21Å; A174-I256 HydrophobicContact CB-CD1 4.26Å; A174-I256 HydrophobicContact CB-CG1 4.04Å; I177-I256 HydrophobicContact CD1-CG1 4.19Å; I177-I256 HydrophobicContact CD1-CG2 4.29Å; S252-I256 VanDerWaalsContact O-CB 3.32Å; S252-I256 WeakPolarHBondContact O-CB 3.3Å; S252-I256 WeakPolarHBondContact O-CD1 3.5Å; S252-I256 WeakPolarHBondContact O-CG1 3.4Å; S252-I256 PolarHBondContact O-N 3.14Å; T253-I256 PolarHBondContact O-N 3.34Å; V254-I256 VanDerWaalsContact C-N 3.33Å; V254-I256 PolarHBondContact O-N 3.14Å; I256-N259 PolarHBondContact O-N 3.41Å; I256-I260 HydrophobicContact CG2-CD1 3.97Å; I256-I260 WeakPolarHBondContact O-CG1 3.4Å; I256-I260 PolarHBondContact O-N 3.3Å; I256-I260 VanDerWaalsContact O-N 3.1Å; I256-T408 HydrophobicContact CG2-CG2 3.26Å; I256-L411 HydrophobicContact CD1-CD2 3.87Å; I256-V412 HydrophobicContact CG2-CG2 3.86Å
257C95.3Very high95.1Very high37 Ų3773.6 Ų73.625%0.2535%0.354CS..Hα-helixtrans-62.5-46179.4-73.80000111.7T253 V254 N259 I260 F261T253-C257 WeakPolarHBondContact O-CB 3.38Å; T253-C257 PolarHBondContact O-N 2.87Å; T253-C257 PolarHBondContact O-SG 3.11Å; T253-C257 VanDerWaalsContact O-SG 3.37Å; V254-C257 PolarHBondContact O-N 3.06Å; C257-N259 PolarHBondContact O-N 3.27Å; C257-I260 WeakPolarHBondContact O-CB 3.27Å; C257-I260 PolarHBondContact O-N 2.93Å; C257-I260 VanDerWaalsContact O-N 3.11Å; C257-F261 HydrophobicContact CB-CD2 4.44Å; C257-F261 HydrophobicContact CB-CE2 4.32Å; C257-F261 WeakPolarHBondContact O-CD2 3.2Å; C257-F261 PolarHBondContact O-N 2.99Å
258W96.6Very high95Very high182 Ų18278 Ų7869%0.68936%0.364SS*.Hα-helixtrans-55.9-46.9177.5-177.1-99000112.2V254 I260 F261 R262V254-W258 VanDerWaalsContact O-CB 3.23Å; V254-W258 WeakPolarHBondContact O-CB 3.42Å; V254-W258 PolarHBondContact O-N 3.07Å; W258-I260 PolarHBondContact O-N 3.46Å; W258-F261 PolarHBondContact O-N 2.69Å; W258-R262 WeakPolarHBondContact O-CB 3.22Å; W258-R262 PolarHBondContact O-N 3.28Å
259N94.7Very high94.9Very high32 Ų3281.8 Ų81.817%0.17138%0.381CS..Hα-helixtrans-65.8-36.3177-78.1-68.2000112.6I177 I255 I256 C257 L263I177-N259 HydrophobicContact CG2-CB 3.55Å; I255-N259 PolarHBondContact O-N 3.42Å; I255-N259 VanDerWaalsContact O-N 3.11Å; I255-N259 PolarHBondContact O-ND2 3.34Å; I256-N259 PolarHBondContact O-N 3.41Å; C257-N259 PolarHBondContact O-N 3.27Å; N259-L263 WeakPolarHBondContact O-CB 3.13Å; N259-L263 VanDerWaalsContact O-CG 3.28Å; N259-L263 WeakPolarHBondContact O-CG 3.39Å; N259-L263 PolarHBondContact O-N 3.31Å
260I91.7Very high94.8Very high55 Ų5584.3 Ų84.328%0.28240%0.402SS..Hα-helixtrans-64.4-43.6173.5-68.1165.6000111.2I256 C257 W258 R264 T408I256-I260 HydrophobicContact CG2-CD1 3.97Å; I256-I260 WeakPolarHBondContact O-CG1 3.4Å; I256-I260 PolarHBondContact O-N 3.3Å; I256-I260 VanDerWaalsContact O-N 3.1Å; C257-I260 WeakPolarHBondContact O-CB 3.27Å; C257-I260 PolarHBondContact O-N 2.93Å; C257-I260 VanDerWaalsContact O-N 3.11Å; W258-I260 PolarHBondContact O-N 3.46Å; I260-R264 WeakPolarHBondContact O-CB 3.37Å; I260-R264 VanDerWaalsContact O-CG 3.31Å; I260-R264 WeakPolarHBondContact O-CG 3.08Å; I260-R264 PolarHBondContact O-N 3.4Å; I260-T408 HydrophobicContact CD1-CG2 3.91Å
261F93.5Very high94.6Very high130 Ų13085.9 Ų85.957%0.5741%0.412SS*.Hα-helixtrans-66.1-43.2176.7-75.3-64.5000112.1C257 W258 R264 K265C257-F261 HydrophobicContact CB-CD2 4.44Å; C257-F261 HydrophobicContact CB-CE2 4.32Å; C257-F261 WeakPolarHBondContact O-CD2 3.2Å; C257-F261 PolarHBondContact O-N 2.99Å; W258-F261 PolarHBondContact O-N 2.69Å; F261-R264 PolarHBondContact O-N 3.37Å; F261-K265 PolarHBondContact O-N 2.9Å
262R94.7Very high94.5Very high162 Ų16286.3 Ų86.361%0.61142%0.415SS*.Hα-helixtrans-58.4-49.5175-174.7179.5-178.4177.93.9111.6W258 R264 K265 C266W258-R262 WeakPolarHBondContact O-CB 3.22Å; W258-R262 PolarHBondContact O-N 3.28Å; R262-R264 VanDerWaalsContact C-N 3.34Å; R262-R264 PolarHBondContact O-N 2.95Å; R262-K265 PolarHBondContact O-N 3.08Å; R262-C266 PolarHBondContact O-N 3.38Å; R262-C266 PolarHBondContact O-SG 3.48Å; R262-C266 VanDerWaalsContact O-SG 3.35Å
263L90.8Very high94.3Very high97 Ų9789.3 Ų89.351%0.50844%0.436SS..Hα-helixtrans-60.3-43.1177.3-73.3169.5000111.7N259 K265 C266 F267N259-L263 WeakPolarHBondContact O-CB 3.13Å; N259-L263 VanDerWaalsContact O-CG 3.28Å; N259-L263 WeakPolarHBondContact O-CG 3.39Å; N259-L263 PolarHBondContact O-N 3.31Å; L263-K265 PolarHBondContact O-N 3.1Å; L263-C266 PolarHBondContact O-N 2.66Å; L263-F267 WeakPolarHBondContact O-CD2 3.36Å; L263-F267 PolarHBondContact O-N 3.36Å
264R92.1Very high94.1Very high143 Ų14395.3 Ų95.354%0.5446%0.461SS..Hα-helixtrans-59.9-41.6174.7-77.6171.4168.5-174.9-6.4112.7I260 F261 R262 F267 R268I260-R264 WeakPolarHBondContact O-CB 3.37Å; I260-R264 VanDerWaalsContact O-CG 3.31Å; I260-R264 WeakPolarHBondContact O-CG 3.08Å; I260-R264 PolarHBondContact O-N 3.4Å; F261-R264 PolarHBondContact O-N 3.37Å; R262-R264 VanDerWaalsContact C-N 3.34Å; R262-R264 PolarHBondContact O-N 2.95Å; R264-F267 PolarHBondContact O-N 2.82Å; R264-R268 WeakPolarHBondContact O-CB 3.24Å; R264-R268 PolarHBondContact O-N 3.44Å
265K94.7Very high93.8Very high120 Ų12093.5 Ų93.552%0.52245%0.452SS..Hα-helixtrans-61.1-52.1176.3179.6170.9174.2178.20110.7F261 R262 L263 F267 R268 E269F261-K265 PolarHBondContact O-N 2.9Å; R262-K265 PolarHBondContact O-N 3.08Å; L263-K265 PolarHBondContact O-N 3.1Å; K265-F267 PolarHBondContact O-N 2.83Å; K265-R268 PolarHBondContact O-N 2.83Å; K265-R268 VanDerWaalsContact O-N 3.14Å; K265-E269 WeakPolarHBondContact CE-OE1 3.14Å; K265-E269 WeakPolarHBondContact CG-OE1 3.24Å; K265-E269 IonicContact NZ-OE1 2.78Å; K265-E269 WeakPolarHBondContact O-CG 3.26Å; K265-E269 PolarHBondContact O-N 3.15Å
266C93.4Very high93.6Very high64 Ų6496 Ų9643%0.43247%0.465SS..Hα-helixtrans-61.4-38.8178.6-60.20000113.2R262 L263 E269 A270R262-C266 PolarHBondContact O-N 3.38Å; R262-C266 PolarHBondContact O-SG 3.48Å; R262-C266 VanDerWaalsContact O-SG 3.35Å; L263-C266 PolarHBondContact O-N 2.66Å; C266-E269 PolarHBondContact O-N 3.02Å; C266-A270 WeakPolarHBondContact O-CB 3.39Å; C266-A270 PolarHBondContact O-N 2.94Å
267F90.9Very high93.4Very high142 Ų142101.5 Ų101.562%0.62349%0.491SS*.Hα-helixtrans-67.5-39.1174.5-83.6-62.7000112.7L263 R264 K265 T271L263-F267 WeakPolarHBondContact O-CD2 3.36Å; L263-F267 PolarHBondContact O-N 3.36Å; R264-F267 PolarHBondContact O-N 2.82Å; K265-F267 PolarHBondContact O-N 2.83Å; F267-T271 WeakPolarHBondContact O-CB 3.32Å; F267-T271 PolarHBondContact O-N 2.06Å; F267-T271 PolarHBondContact O-OG1 2.88Å
268R94.2Very high93.2Very high185 Ų185103.6 Ų103.670%0.69850%0.497SS*.Hα-helixtrans-63.1-44.1175-172.2177.770.9175.34.6111R264 K265 T271 S272R264-R268 WeakPolarHBondContact O-CB 3.24Å; R264-R268 PolarHBondContact O-N 3.44Å; K265-R268 PolarHBondContact O-N 2.83Å; K265-R268 VanDerWaalsContact O-N 3.14Å; R268-T271 PolarHBondContact O-N 2.85Å; R268-S272 WeakPolarHBondContact O-CB 3.38Å; R268-S272 PolarHBondContact O-N 3.06Å; R268-S272 PolarHBondContact O-OG 3.39Å
269E95.4Very high92.9Very high84 Ų8499.2 Ų99.239%0.39349%0.487SS..Hα-helixtrans-60.9-53.7176.7-73.7159.2173.700111K265 C266 T271 S272 S273K265-E269 WeakPolarHBondContact CE-OE1 3.14Å; K265-E269 WeakPolarHBondContact CG-OE1 3.24Å; K265-E269 IonicContact NZ-OE1 2.78Å; K265-E269 WeakPolarHBondContact O-CG 3.26Å; K265-E269 PolarHBondContact O-N 3.15Å; C266-E269 PolarHBondContact O-N 3.02Å; E269-T271 VanDerWaalsContact C-N 3.31Å; E269-T271 PolarHBondContact O-N 2.85Å; E269-S272 WeakPolarHBondContact CA-OG 3.42Å; E269-S272 PolarHBondContact O-N 3.2Å; E269-S272 VanDerWaalsContact O-N 3.08Å; E269-S272 PolarHBondContact O-OG 3.06Å; E269-S273 PolarHBondContact O-N 2.91Å; E269-S273 PolarHBondContact O-OG 3.18Å
270A94.1Very high92.7Very high53 Ų53102.2 Ų102.244%0.43850%0.5SS..Hα-helixtrans-58.9-39178.200000113.3C266 S273 F274C266-A270 WeakPolarHBondContact O-CB 3.39Å; C266-A270 PolarHBondContact O-N 2.94Å; A270-S273 WeakPolarHBondContact CA-OG 3.34Å; A270-S273 PolarHBondContact O-OG 3.11Å; A270-F274 PolarHBondContact O-N 3.35Å; A270-F274 VanDerWaalsContact O-N 3.11Å
271T93Very high92.7Very high86 Ų86105.4 Ų105.453%0.52851%0.513SS..Hα-helixtrans-66.6-43.9175.1-52.10000110.9F267 R268 E269 S273 F274 C275F267-T271 WeakPolarHBondContact O-CB 3.32Å; F267-T271 PolarHBondContact O-N 2.06Å; F267-T271 PolarHBondContact O-OG1 2.88Å; R268-T271 PolarHBondContact O-N 2.85Å; E269-T271 VanDerWaalsContact C-N 3.31Å; E269-T271 PolarHBondContact O-N 2.85Å; T271-S273 PolarHBondContact O-N 2.95Å; T271-F274 PolarHBondContact O-N 2.84Å; T271-C275 PolarHBondContact O-N 3.37Å; T271-C275 PolarHBondContact O-SG 3.27Å; T271-C275 VanDerWaalsContact O-SG 3.34Å
272S94.9Very high92.5Very high59 Ų59104.4 Ų104.441%0.41351%0.509SS..Hα-helixtrans-64.3-39.2178.670.30000112.6R268 E269 F274 C275 L276R268-S272 WeakPolarHBondContact O-CB 3.38Å; R268-S272 PolarHBondContact O-N 3.06Å; R268-S272 PolarHBondContact O-OG 3.39Å; E269-S272 WeakPolarHBondContact CA-OG 3.42Å; E269-S272 PolarHBondContact O-N 3.2Å; E269-S272 VanDerWaalsContact O-N 3.08Å; E269-S272 PolarHBondContact O-OG 3.06Å; S272-F274 VanDerWaalsContact C-N 3.33Å; S272-F274 PolarHBondContact O-N 3.02Å; S272-C275 PolarHBondContact O-N 2.97Å; S272-L276 WeakPolarHBondContact O-CB 3.26Å; S272-L276 VanDerWaalsContact O-CG 3.31Å; S272-L276 WeakPolarHBondContact O-CG 3.01Å; S272-L276 PolarHBondContact O-N 3.06Å
273S94.6Very high92.2Very high66 Ų66106 Ų10646%0.46252%0.515SS..Hα-helixtrans-66.4-34.5174.150.30000112.6E269 A270 T271 H277E269-S273 PolarHBondContact O-N 2.91Å; E269-S273 PolarHBondContact O-OG 3.18Å; A270-S273 WeakPolarHBondContact CA-OG 3.34Å; A270-S273 PolarHBondContact O-OG 3.11Å; T271-S273 PolarHBondContact O-N 2.95Å; S273-H277 WeakPolarHBondContact O-CB 3.3Å; S273-H277 PolarHBondContact O-N 3.15Å
274F92.2Very high92.1Very high142 Ų142107.6 Ų107.662%0.62352%0.518SS*.Hα-helixtrans-67-47.8175.5-170.5-88.5000111.2A270 T271 S272 L276 H277 E278A270-F274 PolarHBondContact O-N 3.35Å; A270-F274 VanDerWaalsContact O-N 3.11Å; T271-F274 PolarHBondContact O-N 2.84Å; S272-F274 VanDerWaalsContact C-N 3.33Å; S272-F274 PolarHBondContact O-N 3.02Å; F274-L276 VanDerWaalsContact C-N 3.32Å; F274-L276 PolarHBondContact O-N 2.88Å; F274-H277 PolarHBondContact O-N 3.32Å; F274-E278 PolarHBondContact O-N 3.36Å
275C90.6Very high91.9Very high59 Ų59103.6 Ų103.640%0.39951%0.512SS..Hα-helixtrans-62.2-37.4176.2-630000112.7T271 S272 N279T271-C275 PolarHBondContact O-N 3.37Å; T271-C275 PolarHBondContact O-SG 3.27Å; T271-C275 VanDerWaalsContact O-SG 3.34Å; S272-C275 PolarHBondContact O-N 2.97Å; C275-N279 WeakPolarHBondContact O-CB 3.36Å; C275-N279 PolarHBondContact O-N 2.98Å; C275-N279 PolarHBondContact O-ND2 3.45Å
276L92.2Very high91.4Very high118 Ų118100.8 Ų100.862%0.61851%0.507SS*.Hα-helixtrans-65.6-45.4174.1-75.2172.2000111.6S272 F274 E278 N279 E280S272-L276 WeakPolarHBondContact O-CB 3.26Å; S272-L276 VanDerWaalsContact O-CG 3.31Å; S272-L276 WeakPolarHBondContact O-CG 3.01Å; S272-L276 PolarHBondContact O-N 3.06Å; F274-L276 VanDerWaalsContact C-N 3.32Å; F274-L276 PolarHBondContact O-N 2.88Å; L276-E278 PolarHBondContact O-N 2.84Å; L276-N279 PolarHBondContact O-N 3.38Å; L276-E280 WeakPolarHBondContact O-CB 3.19Å; L276-E280 PolarHBondContact O-N 2.91Å
277H90.7Very high91Very high116 Ų116100 Ų10054%0.53751%0.506SS..Hα-helixtrans-66-36.5177.6-164.4-74.2000112.2S273 F274 E280 Q281S273-H277 WeakPolarHBondContact O-CB 3.3Å; S273-H277 PolarHBondContact O-N 3.15Å; F274-H277 PolarHBondContact O-N 3.32Å; H277-E280 PolarHBondContact O-N 3.38Å; H277-Q281 WeakPolarHBondContact O-CB 3.25Å; H277-Q281 PolarHBondContact O-N 2.85Å
278E91.3Very high90.5Very high80 Ų8096.6 Ų96.637%0.37450%0.499SS..Hα-helixtrans-64.1-42.8173.5-167.8-174151.100111.3F274 L276 K282F274-E278 PolarHBondContact O-N 3.36Å; L276-E278 PolarHBondContact O-N 2.84Å; E278-K282 HydrophobicContact CG-CD 4.46Å; E278-K282 WeakPolarHBondContact O-CB 3.33Å; E278-K282 VanDerWaalsContact O-CG 3.27Å; E278-K282 WeakPolarHBondContact O-CG 3.13Å; E278-K282 PolarHBondContact O-N 3.31Å; E278-K282 VanDerWaalsContact OE1-CE 3.22Å; E278-K282 WeakPolarHBondContact OE1-CE 3.36Å; E278-K282 IonicContact OE1-NZ 3.04Å; E278-K282 PolarHBondContact OE1-NZ 3.22Å
279N90.4Very high89.6Confident91 Ų9196.4 Ų96.449%0.48750%0.499SS..Hα-helixtrans-68.1-38.1176.2-76.2-24.7000112.7C275 L276 R283C275-N279 WeakPolarHBondContact O-CB 3.36Å; C275-N279 PolarHBondContact O-N 2.98Å; C275-N279 PolarHBondContact O-ND2 3.45Å; L276-N279 PolarHBondContact O-N 3.38Å; N279-R283 WeakPolarHBondContact O-CB 3.24Å; N279-R283 WeakPolarHBondContact O-CG 3.44Å; N279-R283 PolarHBondContact O-N 2.92Å
280E91.4Very high88.7Confident95 Ų9596.3 Ų96.344%0.44450%0.504SS..Hα-helixtrans-69.8-40.3175.9-164.2-172.1148.500111.5L276 H277 R283 K284L276-E280 WeakPolarHBondContact O-CB 3.19Å; L276-E280 PolarHBondContact O-N 2.91Å; H277-E280 PolarHBondContact O-N 3.38Å; E280-R283 PolarHBondContact O-N 3.14Å; E280-K284 HydrophobicContact CG-CD 4.34Å; E280-K284 WeakPolarHBondContact O-CB 3.36Å; E280-K284 WeakPolarHBondContact O-CG 3.41Å; E280-K284 PolarHBondContact O-N 3.36Å; E280-K284 WeakPolarHBondContact OE1-CE 3.49Å; E280-K284 IonicContact OE1-NZ 3.88Å; E280-K284 PolarHBondContact OE1-NZ 2.85Å
281Q90.5Very high87.8Confident121 Ų12197.4 Ų97.457%0.56551%0.508SS*.Hα-helixtrans-67.2-38.6175.2-172.2168-2.900111.5H277 K284 S285H277-Q281 WeakPolarHBondContact O-CB 3.25Å; H277-Q281 PolarHBondContact O-N 2.85Å; Q281-K284 PolarHBondContact O-N 3.1Å; Q281-S285 WeakPolarHBondContact O-CB 3.46Å; Q281-S285 PolarHBondContact O-N 3.42Å; Q281-S285 PolarHBondContact O-OG 2.89Å
282K89.6Confident86.7Confident109 Ų109102.5 Ų102.547%0.47452%0.517SS..Hα-helixtrans-59.9-50.5168.4-77.1172.1-173.5169.50111.1E278 K284 S285 S286E278-K282 HydrophobicContact CG-CD 4.46Å; E278-K282 WeakPolarHBondContact O-CB 3.33Å; E278-K282 VanDerWaalsContact O-CG 3.27Å; E278-K282 WeakPolarHBondContact O-CG 3.13Å; E278-K282 PolarHBondContact O-N 3.31Å; E278-K282 VanDerWaalsContact OE1-CE 3.22Å; E278-K282 WeakPolarHBondContact OE1-CE 3.36Å; E278-K282 IonicContact OE1-NZ 3.04Å; E278-K282 PolarHBondContact OE1-NZ 3.22Å; K282-K284 VanDerWaalsContact C-N 3.35Å; K282-K284 PolarHBondContact O-N 3.48Å; K282-S285 PolarHBondContact O-N 2.98Å; K282-S285 VanDerWaalsContact O-N 3.1Å; K282-S285 PolarHBondContact O-OG 3.23Å; K282-S286 PolarHBondContact O-N 2.94Å; K282-S286 PolarHBondContact O-OG 3.17Å
283R88.2Confident85.6Confident195 Ų195105.2 Ų105.274%0.73653%0.527SS*.Hα-helixtrans-57.8-41176.1-79.4179173.6-172.4-2.5113N279 E280 S286 A287N279-R283 WeakPolarHBondContact O-CB 3.24Å; N279-R283 WeakPolarHBondContact O-CG 3.44Å; N279-R283 PolarHBondContact O-N 2.92Å; E280-R283 PolarHBondContact O-N 3.14Å; R283-S286 PolarHBondContact O-OG 3.04Å; R283-S286 VanDerWaalsContact O-OG 3.09Å; R283-A287 WeakPolarHBondContact O-CB 3.41Å; R283-A287 PolarHBondContact O-N 3.45Å
284K90.1Very high84.5Confident131 Ų131106.4 Ų106.457%0.5753%0.527SS*.Hα-helixtrans-67.7-36175.2-76.1170.7171.2170.90112E280 Q281 K282 S288E280-K284 HydrophobicContact CG-CD 4.34Å; E280-K284 WeakPolarHBondContact O-CB 3.36Å; E280-K284 WeakPolarHBondContact O-CG 3.41Å; E280-K284 PolarHBondContact O-N 3.36Å; E280-K284 WeakPolarHBondContact OE1-CE 3.49Å; E280-K284 IonicContact OE1-NZ 3.88Å; E280-K284 PolarHBondContact OE1-NZ 2.85Å; Q281-K284 PolarHBondContact O-N 3.1Å; K282-K284 VanDerWaalsContact C-N 3.35Å; K282-K284 PolarHBondContact O-N 3.48Å; K284-S288 WeakPolarHBondContact O-CB 3.35Å; K284-S288 PolarHBondContact O-N 3.31Å; K284-S288 PolarHBondContact O-OG 3.33Å
285S87.4Confident83.2Confident60 Ų60108.4 Ų108.442%0.4253%0.532SS..Hα-helixtrans-73.2-33.3175.977.30000113.9Q281 K282 S288 R289Q281-S285 WeakPolarHBondContact O-CB 3.46Å; Q281-S285 PolarHBondContact O-N 3.42Å; Q281-S285 PolarHBondContact O-OG 2.89Å; K282-S285 PolarHBondContact O-N 2.98Å; K282-S285 VanDerWaalsContact O-N 3.1Å; K282-S285 PolarHBondContact O-OG 3.23Å; S285-S288 PolarHBondContact O-OG 2.94Å; S285-R289 WeakPolarHBondContact O-CG 3.2Å; S285-R289 PolarHBondContact O-N 3.46Å
286S85.1Confident81.8Confident61 Ų61115 Ų11543%0.42755%0.549SS..Hα-helixtrans-76.3-41172.859.80000110.9K282 R283 S288 R289 V290K282-S286 PolarHBondContact O-N 2.94Å; K282-S286 PolarHBondContact O-OG 3.17Å; R283-S286 PolarHBondContact O-OG 3.04Å; R283-S286 VanDerWaalsContact O-OG 3.09Å; S286-S288 PolarHBondContact O-N 3.39Å; S286-R289 PolarHBondContact O-N 3.48Å; S286-V290 WeakPolarHBondContact O-CB 3.42Å; S286-V290 WeakPolarHBondContact O-CG2 3.48Å; S286-V290 PolarHBondContact O-N 2.95Å
287A83.6Confident80.3Confident48 Ų48116 Ų11640%0.39755%0.554SS.*Hα-helixtrans-58.9-45.4173.400000111.9R283 R289 V290 S291R283-A287 WeakPolarHBondContact O-CB 3.41Å; R283-A287 PolarHBondContact O-N 3.45Å; A287-R289 VanDerWaalsContact C-N 3.32Å; A287-R289 PolarHBondContact O-N 3.02Å; A287-V290 PolarHBondContact O-N 3.07Å; A287-S291 WeakPolarHBondContact O-CB 3.27Å; A287-S291 PolarHBondContact O-N 3.08Å; A287-S291 PolarHBondContact O-OG 2.84Å
288S80.5Confident78.4Confident69 Ų69120.4 Ų120.448%0.48357%0.567SS.*Hα-helixtrans-67-30.917869.20000113.4K284 S285 S286 R292K284-S288 WeakPolarHBondContact O-CB 3.35Å; K284-S288 PolarHBondContact O-N 3.31Å; K284-S288 PolarHBondContact O-OG 3.33Å; S285-S288 PolarHBondContact O-OG 2.94Å; S286-S288 PolarHBondContact O-N 3.39Å; S288-R292 WeakPolarHBondContact O-CB 3.33Å; S288-R292 WeakPolarHBondContact O-CG 3.29Å; S288-R292 PolarHBondContact O-N 3.1Å; S288-R292 VanDerWaalsContact O-N 3.08Å
289R75.8Confident76.5Confident182 Ų182121.1 Ų121.169%0.68758%0.577SS**Hα-helixtrans-68.8-45.9170.5-77.2178.9171.4-164.3-3.3112.1S285 S286 A287 R292 L293S285-R289 WeakPolarHBondContact O-CG 3.2Å; S285-R289 PolarHBondContact O-N 3.46Å; S286-R289 PolarHBondContact O-N 3.48Å; A287-R289 VanDerWaalsContact C-N 3.32Å; A287-R289 PolarHBondContact O-N 3.02Å; R289-R292 PolarHBondContact O-N 3Å; R289-L293 PolarHBondContact O-N 3Å
290V77Confident74.7Confident82 Ų82123.9 Ų123.950%0.49759%0.591SS.*Hα-helixtrans-65.8-44.3178170.60000111.1S286 A287 R292 L293 I294S286-V290 WeakPolarHBondContact O-CB 3.42Å; S286-V290 WeakPolarHBondContact O-CG2 3.48Å; S286-V290 PolarHBondContact O-N 2.95Å; A287-V290 PolarHBondContact O-N 3.07Å; V290-R292 VanDerWaalsContact C-N 3.35Å; V290-R292 PolarHBondContact O-N 3.5Å; V290-L293 WeakPolarHBondContact O-CB 3.4Å; V290-L293 PolarHBondContact O-N 3.36Å; V290-L293 VanDerWaalsContact O-N 3.13Å; V290-I294 HydrophobicContact CG1-CD1 3.68Å; V290-I294 HydrophobicContact CG1-CG1 4.34Å; V290-I294 WeakPolarHBondContact O-CG1 3.29Å; V290-I294 PolarHBondContact O-N 3.36Å
291S74Confident72.8Confident75 Ų75126.1 Ų126.152%0.52461%0.606SS.*Hα-helixtrans-62.1-38.8174.7-65.90000112.3A287 Y295A287-S291 WeakPolarHBondContact O-CB 3.27Å; A287-S291 PolarHBondContact O-N 3.08Å; A287-S291 PolarHBondContact O-OG 2.84Å; S291-Y295 WeakPolarHBondContact O-CB 3.47Å; S291-Y295 PolarHBondContact O-N 3.26Å
292R71.1Confident71.1Confident193 Ų193127.2 Ų127.273%0.72862%0.615SS**Hα-helixtrans-63.6-42.8170.9-83.5-172.1176.1-169.2-1.1112.1S288 R289 V290 Y295 Y296S288-R292 WeakPolarHBondContact O-CB 3.33Å; S288-R292 WeakPolarHBondContact O-CG 3.29Å; S288-R292 PolarHBondContact O-N 3.1Å; S288-R292 VanDerWaalsContact O-N 3.08Å; R289-R292 PolarHBondContact O-N 3Å; V290-R292 VanDerWaalsContact C-N 3.35Å; V290-R292 PolarHBondContact O-N 3.5Å; R292-Y295 PolarHBondContact O-N 2.85Å; R292-Y296 VanDerWaalsContact O-CD2 3.3Å; R292-Y296 WeakPolarHBondContact O-CD2 3.4Å; R292-Y296 PolarHBondContact O-N 2.95Å
293L70.4Confident68.7Low117 Ų117127 Ų12761%0.61363%0.627SS**Hα-helixtrans-61.9-44.5178.1-146.180.6000111.4R289 V290 Y295 Y296 L297R289-L293 PolarHBondContact O-N 3Å; V290-L293 WeakPolarHBondContact O-CB 3.4Å; V290-L293 PolarHBondContact O-N 3.36Å; V290-L293 VanDerWaalsContact O-N 3.13Å; L293-Y295 VanDerWaalsContact C-N 3.35Å; L293-Y295 PolarHBondContact O-N 3.4Å; L293-Y296 PolarHBondContact O-N 3.48Å; L293-L297 HydrophobicContact CD2-CD1 4.48Å; L293-L297 HydrophobicContact CG-CD1 4.33Å; L293-L297 WeakPolarHBondContact O-CB 3.45Å; L293-L297 PolarHBondContact O-N 3.37Å; L293-L297 VanDerWaalsContact O-N 3.09Å
294I72.9Confident66.7Low90 Ų90125.3 Ų125.346%0.46263%0.627SS.*Hα-helixtrans-65.7-35.9176.5-67.5170.1000111.4V290 Y296 L297 R298V290-I294 HydrophobicContact CG1-CD1 3.68Å; V290-I294 HydrophobicContact CG1-CG1 4.34Å; V290-I294 WeakPolarHBondContact O-CG1 3.29Å; V290-I294 PolarHBondContact O-N 3.36Å; I294-Y296 VanDerWaalsContact C-N 3.28Å; I294-Y296 PolarHBondContact O-N 3.37Å; I294-L297 CarbonylContact O-C 3.55Å; I294-L297 PolarHBondContact O-N 3.06Å; I294-L297 VanDerWaalsContact O-N 3.12Å; I294-R298 VanDerWaalsContact O-CB 3.3Å; I294-R298 WeakPolarHBondContact O-CB 3.43Å; I294-R298 PolarHBondContact O-N 3.46Å
295Y63.9Low64.4Low185 Ų185125 Ų12573%0.72563%0.632SS**Hα-helixtrans-66.4-29.3176.9-139.2-79.6000112.9S291 R292 L293S291-Y295 WeakPolarHBondContact O-CB 3.47Å; S291-Y295 PolarHBondContact O-N 3.26Å; R292-Y295 PolarHBondContact O-N 2.85Å; L293-Y295 VanDerWaalsContact C-N 3.35Å; L293-Y295 PolarHBondContact O-N 3.4Å
296Y61.6Low62.4Low196 Ų196131 Ų13177%0.76965%0.651SS**Hα-helixtrans-86-11171.8-77.3-68.6000114.1R292 L293 I294R292-Y296 VanDerWaalsContact O-CD2 3.3Å; R292-Y296 WeakPolarHBondContact O-CD2 3.4Å; R292-Y296 PolarHBondContact O-N 2.95Å; L293-Y296 PolarHBondContact O-N 3.48Å; I294-Y296 VanDerWaalsContact C-N 3.28Å; I294-Y296 PolarHBondContact O-N 3.37Å
297L60.3Low60.2Low139 Ų139138.3 Ų138.373%0.72867%0.669SS**SBendtrans-107.48.9178.2-86.4162.2000112.9L293 I294L293-L297 HydrophobicContact CD2-CD1 4.48Å; L293-L297 HydrophobicContact CG-CD1 4.33Å; L293-L297 WeakPolarHBondContact O-CB 3.45Å; L293-L297 PolarHBondContact O-N 3.37Å; L293-L297 VanDerWaalsContact O-N 3.09Å; I294-L297 CarbonylContact O-C 3.55Å; I294-L297 PolarHBondContact O-N 3.06Å; I294-L297 VanDerWaalsContact O-N 3.12Å
298R50.7Low58.1Low210 Ų210144.8 Ų144.879%0.79269%0.688SS**SBendtrans-134.424.7-179.1-151.5179.9-173.8138.67.8113.3I294I294-R298 VanDerWaalsContact O-CB 3.3Å; I294-R298 WeakPolarHBondContact O-CB 3.43Å; I294-R298 PolarHBondContact O-N 3.46Å
299T52.7Low56.1Low95 Ų95151.8 Ų151.858%0.58370%0.704SS**SBendtrans-110.962.916553.70000108.8
300D52.5Low54.5Low149 Ų149147.3 Ų147.380%0.79770%0.7SS**SBendtrans-163.1156.1153.1-87.2-36.1000108.2
301D51.7Low52.6Low141 Ų141150.2 Ų150.275%0.75471%0.713SS**  trans62.4116.9175.4-67.7-27000121.9
302I53.4Low50.9Low145 Ų145152.2 Ų152.274%0.74473%0.727SS**  58.5105.4126.7-57.8167.6000116.3
303S40.4Very low49.6Very low105 Ų105150.5 Ų150.573%0.73473%0.732SS**  78.8144.162.3-163.80000114.9
304E46.2Very low48.1Very low158 Ų158149.3 Ų149.374%0.73873%0.733SS**  trans68.1106.2169.9-65-141.28400122.2
305N42Very low46.9Very low126 Ų126151.5 Ų151.567%0.67475%0.751SS**  73.7162121.8-76-44.5000123.8
306F45Very low46Very low184 Ų184147.5 Ų147.581%0.80775%0.749SS**  trans62.3113.3-178.8-68.5-87.8000117.2
307R38.5Very low45.1Very low215 Ų215146.1 Ų146.181%0.81175%0.75SS**  cis81.9126.428.8-158.9-170-174.3-170.84.9114.3
308K40.3Very low44.5Very low185 Ų185144.1 Ų144.180%0.80475%0.748SS**  trans86.3152178.3-62.2177.4179.8173.30115.4
309R38.2Very low44.2Very low216 Ų216138.5 Ų138.582%0.81575%0.746SS**  cis-175.3144.3-28.6-168.5-167-170.1169.22.4108.2
310S41.4Very low44Very low87 Ų87142.1 Ų142.161%0.60876%0.761SS**  trans60.7172.4156.140.80000118.1
311N37.7Very low43.6Very low143 Ų143142.1 Ų142.177%0.76576%0.761SS**  cis-169.7151.8-40.5-92.9-7.4000106.3
312S38.4Very low43.4Very low118 Ų118142 Ų14283%0.82576%0.76SS**  trans59.1160174.762.20000115.1
313L42.8Very low43Very low157 Ų157143.4 Ų143.482%0.82276%0.763SS**  cis-136.6175.93.2-150.464.5000105.3
314S40.4Very low43.2Very low92 Ų92147.1 Ų147.164%0.64377%0.771SS**  cis-157.4165.219.7-57.80000112.7
315V47.1Very low43.4Very low136 Ų136147.8 Ų147.882%0.82477%0.772SS**  -10.1138.4126.3-178.10000114.1
316S45.5Very low43.6Very low100 Ų100146 Ų14670%0.69977%0.769SS**  cis-150.2-1721047.40000108.7
317E43.1Very low43.6Very low168 Ų168145.4 Ų145.479%0.78577%0.769SS**  cis-159.4172.216.5-154.3170-152.300111.3A319E317-A319 PolarHBondContact O-N 3.48Å
318S47.6Very low44.1Very low97 Ų97140.7 Ų140.768%0.67877%0.767SS**  trans61.741.3159.2-64.60000118.5L320S318-L320 PolarHBondContact O-N 2.85Å
319A44.4Very low44.5Very low92 Ų92140.3 Ų140.376%0.7677%0.768SS**G310 helixtrans-63.4-2.9172.100000115.5E317 N321E317-A319 PolarHBondContact O-N 3.48Å; A319-N321 PolarHBondContact O-N 3.38Å
320L47.1Very low45.2Very low170 Ų170136.9 Ų136.989%0.8977%0.765SS**G310 helixtrans-69.5-13-171.9-147.4106.6000114.7S318S318-L320 PolarHBondContact O-N 2.85Å
321N44.8Very low45.7Very low150 Ų150140 Ų14080%0.80277%0.774SS**G310 helixtrans-902.2-172.2-126.6-32.6000114.8A319A319-N321 PolarHBondContact O-N 3.38Å
322L47.4Very low46.1Very low139 Ų139137.6 Ų137.673%0.72877%0.766SS**SBendtrans-96.2-28.3-178.8-107.674000114.7M324 K325L322-M324 PolarHBondContact O-N 3.04Å; L322-K325 WeakPolarHBondContact O-CB 3.49Å; L322-K325 PolarHBondContact O-N 3.22Å
323Q43.9Very low46.8Very low173 Ų173143.2 Ų143.281%0.80877%0.769SS**G310 helixtrans-76.6-22.4-166-163.3167.1-3.700114.2K325 S326Q323-K325 PolarHBondContact O-N 3.19Å; Q323-S326 PolarHBondContact O-OG 2.97Å
324M45.8Very low47.4Very low183 Ų183142.4 Ų142.490%0.90176%0.764SS**G310 helixtrans-75.7-1.7176.4-150.5-178.5-169.200113.7L322L322-M324 PolarHBondContact O-N 3.04Å
325K49.4Very low48Very low173 Ų173147.3 Ų147.375%0.75277%0.77SS**G310 helixtrans-91.5-10.9-171-153.2170.2-176.3177.10114.5L322 Q323L322-K325 WeakPolarHBondContact O-CB 3.49Å; L322-K325 PolarHBondContact O-N 3.22Å; Q323-K325 PolarHBondContact O-N 3.19Å
326S45.9Very low48.1Very low87 Ų87149.4 Ų149.461%0.60877%0.768SS**SBendtrans-95.5-10.7-170.554.20000115.9Q323Q323-S326 PolarHBondContact O-OG 2.97Å
327Q45.8Very low48.3Very low173 Ų173150.1 Ų150.181%0.80877%0.77SS**SBendtrans-102.82.7-177.5-70-165.8-12.200115.3
328C49.2Very low48.7Very low115 Ų115148.3 Ų148.378%0.77776%0.764SS**SBendtrans-93.78.6178.3-78.40000115.1
329E49.1Very low48.7Very low177 Ų177146.4 Ų146.483%0.82775%0.751SS**  trans-89.6-1.1-179-66.3-148.9113.900114.7
330I52.5Low49.3Very low145 Ų145147.1 Ų147.174%0.74475%0.746SS**SBendtrans-98.4109.4-178-54.7-179.4000110
331L50.8Low49.7Very low152 Ų152145.2 Ų145.280%0.79673%0.732SS**SBendtrans69.8142.3-176.1-85.967.9000117
332P47.6Very low50.3Low92 Ų92142.2 Ų142.260%0.59772%0.716SS**  cis-110.9122.9-9.734.7-21.6000112.7I334P332-I334 HydrophobicContact CB-CD1 4.28Å; P332-I334 PolarHBondContact O-N 3.48Å
333R51.8Low50.6Low236 Ų236141 Ų14189%0.89171%0.709SS**G310 helixtrans-63.3-1.6174.8-79-176.5174-178.7-1115.2Y335R333-Y335 VanDerWaalsContact C-N 3.28Å; R333-Y335 PolarHBondContact O-N 3.05Å
334I56.4Low51.3Low140 Ų140137.7 Ų137.772%0.71870%0.696SS**G310 helixtrans-70.1-17.1-168.2-65.6160000113.8P332P332-I334 HydrophobicContact CB-CD1 4.28Å; P332-I334 PolarHBondContact O-N 3.48Å
335Y52.6Low51.8Low195 Ų195133 Ų13377%0.76568%0.675SS**G310 helixtrans-122.332.1-179-78.1-81.4000114.3R333 P337R333-Y335 VanDerWaalsContact C-N 3.28Å; R333-Y335 PolarHBondContact O-N 3.05Å; Y335-P337 VanDerWaalsContact O-CD 3.28Å; Y335-P337 WeakPolarHBondContact O-CD 3.13Å
336K48.6Very low52Low180 Ų180132.3 Ų132.378%0.78367%0.674SS**PPolyproline II helixtrans-65.3118.8158.2-96.2-168.3174.7-174.80108.1I338K336-I338 PolarHBondContact O-N 3.12Å
337P50.3Low52.2Low116 Ų116133.5 Ų133.575%0.75368%0.678SS**PPolyproline II helixtrans-63.5126.7168.627.9-32.3000107.7Y335 S339Y335-P337 VanDerWaalsContact O-CD 3.28Å; Y335-P337 WeakPolarHBondContact O-CD 3.13Å; P337-S339 PolarHBondContact O-N 2.91Å; P337-S339 VanDerWaalsContact O-N 3.11Å
338I52.6Low52.2Low130 Ų130129.6 Ų129.667%0.66767%0.669SS**PPolyproline II helixtrans-58.1119.7167.3-64.1170.7000105.9K336 V340K336-I338 PolarHBondContact O-N 3.12Å; I338-V340 PolarHBondContact O-N 3.49Å
339S47.6Very low52.1Low57 Ų57135 Ų13540%0.39967%0.674SS.*PPolyproline II helixtrans-57.7124.7175.632.10000108.3P337 H341 N342 L343P337-S339 PolarHBondContact O-N 2.91Å; P337-S339 VanDerWaalsContact O-N 3.11Å; S339-H341 PolarHBondContact O-N 3.03Å; S339-H341 VanDerWaalsContact O-N 3.11Å; S339-N342 PolarHBondContact O-N 3.32Å; S339-N342 PolarHBondContact OG-OD1 3.45Å; S339-L343 PolarHBondContact O-N 3.49Å
340V56.9Low52Low106 Ų106132.6 Ų132.664%0.64268%0.675SS**Hα-helixtrans-57.3-29.4177.9-178.80000110.4I338 L343 I344I338-V340 PolarHBondContact O-N 3.49Å; V340-L343 PolarHBondContact O-N 3.48Å; V340-I344 HydrophobicContact CG1-CD1 3.93Å; V340-I344 HydrophobicContact CG1-CG1 4.43Å; V340-I344 WeakPolarHBondContact O-CG1 3.44Å; V340-I344 PolarHBondContact O-N 3.37Å
341H55.3Low51.8Low130 Ų130133.4 Ų133.460%0.60268%0.68SS**Hα-helixtrans-52.2-60.3167.5-122.2-67.5000112.8S339 L343 I344 D345S339-H341 PolarHBondContact O-N 3.03Å; S339-H341 VanDerWaalsContact O-N 3.11Å; H341-L343 PolarHBondContact O-N 3.05Å; H341-L343 VanDerWaalsContact O-N 3.1Å; H341-I344 CarbonylContact O-C 3.59Å; H341-I344 WeakPolarHBondContact O-CA 3.49Å; H341-I344 WeakPolarHBondContact O-CB 3.3Å; H341-I344 PolarHBondContact O-N 2.96Å; H341-D345 IonicContact CE1-OD2 3.8Å; H341-D345 IonicContact CG-OD2 3.83Å; H341-D345 IonicContact ND1-OD1 3.96Å; H341-D345 IonicContact ND1-OD2 3.29Å; H341-D345 PolarHBondContact ND1-OD2 2.98Å; H341-D345 WeakPolarHBondContact O-CB 3.38Å; H341-D345 VanDerWaalsContact O-CG 3.28Å; H341-D345 PolarHBondContact O-N 3.44Å
342N55.9Low51.5Low88 Ų88132 Ų13247%0.47168%0.684SS.*Hα-helixtrans-59.1-30.2-178.9-67.750.7000112.7S339 H346S339-N342 PolarHBondContact O-N 3.32Å; S339-N342 PolarHBondContact OG-OD1 3.45Å; N342-H346 WeakPolarHBondContact O-CB 3.37Å; N342-H346 PolarHBondContact O-CD2 3.17Å; N342-H346 VanDerWaalsContact O-CD2 3.23Å; N342-H346 PolarHBondContact O-N 3.26Å
343L53.8Low51.4Low112 Ų112136.7 Ų136.759%0.58669%0.694SS**Hα-helixtrans-73.9-36.9175.5-157.974.7000112.4S339 V340 H341 T347S339-L343 PolarHBondContact O-N 3.49Å; V340-L343 PolarHBondContact O-N 3.48Å; H341-L343 PolarHBondContact O-N 3.05Å; H341-L343 VanDerWaalsContact O-N 3.1Å; L343-T347 WeakPolarHBondContact O-CG2 3.13Å; L343-T347 PolarHBondContact O-OG1 3.4Å
344I58.7Low51.2Low104 Ų104135.7 Ų135.753%0.53370%0.697SS.*Hα-helixtrans-67.3-51.3172.8-70.5167000110V340 H341 H346 T347V340-I344 HydrophobicContact CG1-CD1 3.93Å; V340-I344 HydrophobicContact CG1-CG1 4.43Å; V340-I344 WeakPolarHBondContact O-CG1 3.44Å; V340-I344 PolarHBondContact O-N 3.37Å; H341-I344 CarbonylContact O-C 3.59Å; H341-I344 WeakPolarHBondContact O-CA 3.49Å; H341-I344 WeakPolarHBondContact O-CB 3.3Å; H341-I344 PolarHBondContact O-N 2.96Å; I344-H346 VanDerWaalsContact C-N 3.29Å; I344-H346 PolarHBondContact O-N 2.79Å; I344-T347 PolarHBondContact O-N 2.82Å; I344-T347 PolarHBondContact O-OG1 3.26Å
345D56.5Low50.5Low84 Ų84137.3 Ų137.345%0.44970%0.701SS.*Hα-helixtrans-61.1-36.6-174.9-64.9-43.2000111.8H341 T347 S348H341-D345 IonicContact CE1-OD2 3.8Å; H341-D345 IonicContact CG-OD2 3.83Å; H341-D345 IonicContact ND1-OD1 3.96Å; H341-D345 IonicContact ND1-OD2 3.29Å; H341-D345 PolarHBondContact ND1-OD2 2.98Å; H341-D345 WeakPolarHBondContact O-CB 3.38Å; H341-D345 VanDerWaalsContact O-CG 3.28Å; H341-D345 PolarHBondContact O-N 3.44Å; D345-T347 PolarHBondContact O-N 3.15Å; D345-S348 PolarHBondContact O-OG 3.4Å
346H53.7Low50.3Low159 Ų159133 Ų13374%0.73670%0.7SS**G310 helixtrans-74.4-14.1173.6-84.1-65.6000115.5N342 I344N342-H346 WeakPolarHBondContact O-CB 3.37Å; N342-H346 PolarHBondContact O-CD2 3.17Å; N342-H346 VanDerWaalsContact O-CD2 3.23Å; N342-H346 PolarHBondContact O-N 3.26Å; I344-H346 VanDerWaalsContact C-N 3.29Å; I344-H346 PolarHBondContact O-N 2.79Å
347T50Low50Low112 Ų112132 Ų13269%0.68770%0.698SS**G310 helixtrans-87.1-1.7175.555.20000114.3L343 I344 D345L343-T347 WeakPolarHBondContact O-CG2 3.13Å; L343-T347 PolarHBondContact O-OG1 3.4Å; I344-T347 PolarHBondContact O-N 2.82Å; I344-T347 PolarHBondContact O-OG1 3.26Å; D345-T347 PolarHBondContact O-N 3.15Å
348S47Very low49.9Very low91 Ų91132.2 Ų132.264%0.63670%0.696SS**G310 helixtrans-83.3-6.7-175.566.80000115.8D345D345-S348 PolarHBondContact O-OG 3.4Å
349R47Very low49.5Very low230 Ų230133 Ų13387%0.86870%0.701SS**  trans-11383.5-177.3-71.4-172.3176.4-172.5-1.3112.7
350C46.3Very low49.7Very low125 Ų125137.6 Ų137.685%0.84572%0.719SS**  trans-134.3141.1162-830000109.4S352C350-S352 PolarHBondContact O-N 3.38Å
351N49.1Very low49.1Very low162 Ų162142.9 Ų142.987%0.86673%0.727SS**  trans-65.7128.1-162.7-76.7-35.5000114.5K353N351-K353 VanDerWaalsContact C-N 3.32Å; N351-K353 PolarHBondContact O-N 2.91Å
352S43.6Very low48.6Very low123 Ų123142.2 Ų142.286%0.8674%0.735SS**  trans-80.472.8167.958.50000111.6C350C350-S352 PolarHBondContact O-N 3.38Å
353K44.9Very low48.5Very low190 Ų190144 Ų14483%0.82675%0.749SS**  trans-133.162.9169.6-83-163.4174.1-174.40112.2N351N351-K353 VanDerWaalsContact C-N 3.32Å; N351-K353 PolarHBondContact O-N 2.91Å
354F48.2Very low47.9Very low216 Ų216146.1 Ų146.195%0.94776%0.761SS**  trans-138120.8152.9-104.2-77.9000109.9
355H42.1Very low47.5Very low174 Ų174147.8 Ų147.881%0.80678%0.775SS**  trans-102.5104-173.8-163.1-87.7000108.1
356S48.7Very low47.2Very low104 Ų104150.6 Ų150.673%0.72779%0.79SS**  trans-134.9111.7178-1730000109.8V358S356-V358 PolarHBondContact O-N 2.62Å
357Q42.6Very low46.7Very low159 Ų159150.1 Ų150.174%0.74379%0.793SS**  trans-78.3118.2178.4-67.4168.8-23.600109.5
358V47.8Very low46.7Very low120 Ų120152 Ų15273%0.72781%0.805SS**  trans-119.9104.5165.3-179.80000107.9S356 I360S356-V358 PolarHBondContact O-N 2.62Å; V358-I360 PolarHBondContact O-N 3.45Å
359I43.7Very low46.2Very low147 Ų147159.3 Ų159.375%0.75482%0.818SS**  trans-79117.9-176.4-61.8167.6000108.8
360I51.5Low46.2Very low154 Ų154160.5 Ų160.579%0.7982%0.822SS**  trans-114108.8168.6-58.8-178.5000108V358V358-I360 PolarHBondContact O-N 3.45Å
361R44.2Very low46Very low216 Ų216158.6 Ų158.682%0.81582%0.816SS**  trans-70.1130.1177.9-78.8175.6164.9157.7-6.7111.2
362P46.5Very low45.8Very low117 Ų117161.3 Ų161.376%0.7682%0.82SS**  trans-81.5121.4151.932-28.4000109.3
363T52.2Low45.7Very low124 Ų124159.6 Ų159.676%0.76181%0.814SS**  trans-88.110717547.30000110.8
364N42.2Very low45.8Very low157 Ų157156.8 Ų156.884%0.8481%0.813SS**  trans-69.3138.5168.8-69.8-25.8000110.6
365V49.2Very low45.6Very low139 Ų139155.5 Ų155.584%0.84281%0.807SS**  trans-131.3145.4164.5179.80000108.8
366L50.5Low45.5Very low144 Ų144153.1 Ų153.175%0.75481%0.81SS**  trans-65.5144.5-162.9-94.660.8000116.1
367N43.6Very low45.6Very low149 Ų149157.3 Ų157.380%0.79782%0.815SS**  trans23.5112.2131.7-62-24000118.4
368T49.8Very low46Very low152 Ų152154.4 Ų154.493%0.93382%0.818SS**  trans-136.3130.6136.714.50000109.8
369R37.8Very low46.2Very low244 Ų244154.8 Ų154.892%0.92182%0.815SS**  trans-118107.1-165.3174.5-168.9-178.3-168.33.4110.2
370R45.3Very low46.6Very low254 Ų254150.5 Ų150.596%0.95880%0.799SS**  trans-157.5147158-110.2159.8-157.9179.35.9111.6
371A42.9Very low46.8Very low85 Ų85149.9 Ų149.970%0.70279%0.79SS**  trans-83.2147.1-16600000113.4
372F45.1Very low47.7Very low219 Ų219144.5 Ų144.596%0.96178%0.778SS**  trans-143.6100.8143-102.4-74.1000108.9
373A41.3Very low48.3Very low88 Ų88144.5 Ų144.573%0.72777%0.767SS**  trans-100.7124.6172.200000109.4
374T46.9Very low48.6Very low131 Ų131143 Ų14380%0.80475%0.754SS**  trans177.1151142.8230000111.9
375K43.9Very low49.4Very low188 Ų188138.6 Ų138.682%0.81773%0.733SS**  trans55.563.5161.6-68.2178.71771720117K377K375-K377 VanDerWaalsContact C-N 3.3Å; K375-K377 PolarHBondContact O-N 2.91Å
376S40.7Very low49.7Very low124 Ų124135.8 Ų135.887%0.86771%0.713SS**  trans-62.391.8147.152.20000109.8A378S376-A378 PolarHBondContact O-N 3.24Å
377K50.7Low49.8Very low192 Ų192133.9 Ų133.984%0.83571%0.711SS**PPolyproline II helixtrans-61123.2167.6-78.2-174.2174.7-176.80108.5K375 L379K375-K377 VanDerWaalsContact C-N 3.3Å; K375-K377 PolarHBondContact O-N 2.91Å; K377-L379 PolarHBondContact O-N 3.25Å
378A50.4Low50.2Low99 Ų99132.2 Ų132.282%0.81871%0.705SS**PPolyproline II helixtrans-59.1122.517100000109.3S376 S380S376-A378 PolarHBondContact O-N 3.24Å; A378-S380 PolarHBondContact O-N 3.19Å
379L51.1Low50.2Low128 Ų128133.2 Ų133.267%0.6769%0.692SS**PPolyproline II helixtrans-62.1117170.8-91.9129.4000108.3K377 Q383K377-L379 PolarHBondContact O-N 3.25Å; L379-Q383 HydrophobicContact CD2-CB 4.35Å
380S52.2Low50.8Low57 Ų57127.2 Ų127.240%0.39969%0.685SS.*PPolyproline II helixtrans-65.1147.6178.870.90000110.4A378 D382 Q383A378-S380 PolarHBondContact O-N 3.19Å; S380-D382 PolarHBondContact O-N 2.97Å; S380-Q383 PolarHBondContact O-N 3.5Å
381F57.2Low51.1Low141 Ų141121.6 Ų121.662%0.61867%0.672SS**Hα-helixtrans-56.4-28.9-178.7-160.7-106.9000111.8Q383 I384 T385F381-Q383 VanDerWaalsContact C-N 3.32Å; F381-Q383 PolarHBondContact O-N 3.48Å; F381-I384 WeakPolarHBondContact O-CB 3.32Å; F381-I384 PolarHBondContact O-N 3.12Å; F381-T385 HydrophobicContact CD1-CG2 3.83Å; F381-T385 HydrophobicContact CE1-CG2 3.85Å; F381-T385 PolarHBondContact O-N 3.26Å
382D61.6Low51.6Low102 Ų102122.6 Ų122.655%0.54567%0.674SS.*Hα-helixtrans-66.2-25.8177.5-52.6-62.6000114.7S380 I384 T385 N386S380-D382 PolarHBondContact O-N 2.97Å; D382-I384 VanDerWaalsContact C-N 3.35Å; D382-T385 WeakPolarHBondContact CA-OG1 3.19Å; D382-T385 PolarHBondContact O-OG1 3.48Å; D382-N386 WeakPolarHBondContact O-CB 3.23Å; D382-N386 PolarHBondContact O-N 2.84Å; D382-N386 PolarHBondContact O-ND2 3.44Å
383Q60.4Low52Low117 Ų117119 Ų11955%0.54767%0.665SS.*Hα-helixtrans-74.6-30.8171.9-66-166.6-12.500111.1L379 S380 F381 C387L379-Q383 HydrophobicContact CD2-CB 4.35Å; S380-Q383 PolarHBondContact O-N 3.5Å; F381-Q383 VanDerWaalsContact C-N 3.32Å; F381-Q383 PolarHBondContact O-N 3.48Å; Q383-C387 PolarHBondContact O-N 2.88Å; Q383-C387 PolarHBondContact O-SG 3.26Å
384I57.6Low52.8Low93 Ų93119.6 Ų119.648%0.47766%0.664SS.*Hα-helixtrans-74.9-44.3175.6-57.3177.9000110.5F381 D382 N386 C387 V388F381-I384 WeakPolarHBondContact O-CB 3.32Å; F381-I384 PolarHBondContact O-N 3.12Å; D382-I384 VanDerWaalsContact C-N 3.35Å; I384-N386 VanDerWaalsContact C-N 3.33Å; I384-N386 PolarHBondContact O-N 3.07Å; I384-C387 WeakPolarHBondContact O-CB 3.34Å; I384-C387 PolarHBondContact O-N 3.23Å; I384-C387 VanDerWaalsContact O-N 3.1Å; I384-V388 PolarHBondContact O-N 2.86Å
385T59.6Low53.2Low65 Ų65115.5 Ų115.540%0.39965%0.647SS.*Hα-helixtrans-64.3-35.317859.20000112.6F381 D382 C387 V388 R389F381-T385 HydrophobicContact CD1-CG2 3.83Å; F381-T385 HydrophobicContact CE1-CG2 3.85Å; F381-T385 PolarHBondContact O-N 3.26Å; D382-T385 WeakPolarHBondContact CA-OG1 3.19Å; D382-T385 PolarHBondContact O-OG1 3.48Å; T385-C387 VanDerWaalsContact C-N 3.3Å; T385-C387 PolarHBondContact O-N 3.41Å; T385-V388 CarbonylContact O-C 3.6Å; T385-V388 PolarHBondContact O-N 3.45Å; T385-R389 PolarHBondContact O-N 3.25Å
386N56Low53.7Low80 Ų80113.6 Ų113.643%0.42864%0.641SS.*Hα-helixtrans-68.7-25.5173.9-81.9-70.7000113.6D382 I384 V388 R389D382-N386 WeakPolarHBondContact O-CB 3.23Å; D382-N386 PolarHBondContact O-N 2.84Å; D382-N386 PolarHBondContact O-ND2 3.44Å; I384-N386 VanDerWaalsContact C-N 3.33Å; I384-N386 PolarHBondContact O-N 3.07Å; N386-V388 VanDerWaalsContact C-N 3.26Å; N386-V388 PolarHBondContact O-N 3.08Å; N386-R389 PolarHBondContact O-N 3.06Å; N386-R389 VanDerWaalsContact OD1-CZ 3.31Å; N386-R389 PolarHBondContact OD1-NE 3.17Å; N386-R389 VanDerWaalsContact OD1-NE 3.08Å; N386-R389 PolarHBondContact OD1-NH2 3.42Å
387C52.1Low54.3Low104 Ų104119 Ų11970%0.70364%0.643SS**Hα-helixtrans-75.2-13169.5-65.60000113.4Q383 I384 T385Q383-C387 PolarHBondContact O-N 2.88Å; Q383-C387 PolarHBondContact O-SG 3.26Å; I384-C387 WeakPolarHBondContact O-CB 3.34Å; I384-C387 PolarHBondContact O-N 3.23Å; I384-C387 VanDerWaalsContact O-N 3.1Å; T385-C387 VanDerWaalsContact C-N 3.3Å; T385-C387 PolarHBondContact O-N 3.41Å
388V52.1Low54.6Low113 Ų113115.4 Ų115.469%0.68563%0.629SS**THydrogen-bonded Turntrans-108.830.1173.6-161.90000111.4I384 T385 N386I384-V388 PolarHBondContact O-N 2.86Å; T385-V388 CarbonylContact O-C 3.6Å; T385-V388 PolarHBondContact O-N 3.45Å; N386-V388 VanDerWaalsContact C-N 3.26Å; N386-V388 PolarHBondContact O-N 3.08Å
389R49.1Very low55.1Low174 Ų174113.3 Ų113.366%0.65762%0.617SS**SBendtrans-64.2131.2147.2-64.8-177.9-169.3-162.52.5106.7T385 N386 I391T385-R389 PolarHBondContact O-N 3.25Å; N386-R389 PolarHBondContact O-N 3.06Å; N386-R389 VanDerWaalsContact OD1-CZ 3.31Å; N386-R389 PolarHBondContact OD1-NE 3.17Å; N386-R389 VanDerWaalsContact OD1-NE 3.08Å; N386-R389 PolarHBondContact OD1-NH2 3.42Å; R389-I391 PolarHBondContact O-N 2.8Å
390P50.3Low55.7Low117 Ų117110.8 Ų110.876%0.7661%0.614SS**  trans-58.3119.2175.524.8-33000107.7S392P390-S392 PolarHBondContact O-N 2.88Å
391I52.5Low56.7Low137 Ų137112.6 Ų112.670%0.70362%0.623SS**  trans-59.4105.5-175.3-62.1177.4000107.2R389 N393R389-I391 PolarHBondContact O-N 2.8Å; I391-N393 HydrophobicContact CG2-CB 4.36Å; I391-N393 PolarHBondContact O-N 2.95Å
392S53.3Low57.6Low106 Ų106109.1 Ų109.174%0.74161%0.61SS**  trans-79.946.7-170.452.50000111.8P390 S394P390-S392 PolarHBondContact O-N 2.88Å; S392-S394 PolarHBondContact O-N 3.3Å; S392-S394 PolarHBondContact O-OG 3.37Å
393N53.7Low58.5Low144 Ų144107.9 Ų107.977%0.7760%0.604SS**  trans-62.367.2159.2-77-16.7000109.6I391 G395I391-N393 HydrophobicContact CG2-CB 4.36Å; I391-N393 PolarHBondContact O-N 2.95Å; N393-G395 PolarHBondContact O-N 3.03Å
394S56.6Low59.6Low99 Ų99106.3 Ų106.369%0.69260%0.602SS**  trans-64.533.4158.649.40000111.2S392 H396S392-S394 PolarHBondContact O-N 3.3Å; S392-S394 PolarHBondContact O-OG 3.37Å; S394-H396 PolarHBondContact O-N 2.87Å
395G55.3Low61Low45 Ų45103.3 Ų103.346%0.46459%0.594SS.*  trans-71.197.7-16700000112N393 R397N393-G395 PolarHBondContact O-N 3.03Å; G395-R397 VanDerWaalsContact C-N 3.27Å; G395-R397 PolarHBondContact O-N 3.18Å
396H54.7Low62.3Low149 Ų149103.3 Ų103.369%0.6959%0.589SS**SBendtrans65.27.3141-7381.2000118.8S394 H398S394-H396 PolarHBondContact O-N 2.87Å; H396-H398 PolarHBondContact O-N 3.16Å
397R53Low63.9Low238 Ų238101.1 Ų101.190%0.89858%0.579SS**G310 helixtrans-75.3-5.8168-73.6-166.1173.8-165-0.5114.6G395 G399G395-R397 VanDerWaalsContact C-N 3.27Å; G395-R397 PolarHBondContact O-N 3.18Å; R397-G399 PolarHBondContact O-N 2.94Å; R397-G399 VanDerWaalsContact O-N 3.11Å
398H56.9Low65.8Low116 Ų11696.5 Ų96.554%0.53755%0.547SS..G310 helixtrans-60.6-14.3175.6-75.2-77.7000115.7H396 A400 D402H396-H398 PolarHBondContact O-N 3.16Å; H398-A400 VanDerWaalsContact C-N 3.28Å; H398-A400 PolarHBondContact O-N 3.4Å; H398-A400 VanDerWaalsContact O-N 3.13Å; H398-D402 IonicContact CG-OD2 3.74Å; H398-D402 IonicContact ND1-OD1 3.78Å; H398-D402 IonicContact ND1-OD2 2.85Å; H398-D402 PolarHBondContact ND1-OD2 2.71Å; H398-D402 WeakPolarHBondContact O-CB 3.36Å; H398-D402 VanDerWaalsContact O-CG 3.23Å
399G61.7Low67.7Low55 Ų5598.6 Ų98.657%0.56754%0.543SS*.G310 helixtrans-63.6-20.5-170.500000116.7R397 N403R397-G399 PolarHBondContact O-N 2.94Å; R397-G399 VanDerWaalsContact O-N 3.11Å; G399-N403 PolarHBondContact O-ND2 2.66Å
400A63.6Low69.7Low74 Ų7490.9 Ų90.961%0.61252%0.515SS*.THydrogen-bonded Turntrans-106.3-48.5-173.100000114.1H398 D402H398-A400 VanDerWaalsContact C-N 3.28Å; H398-A400 PolarHBondContact O-N 3.4Å; H398-A400 VanDerWaalsContact O-N 3.13Å; A400-D402 PolarHBondContact O-N 2.72Å
401T73.2Confident71.8Confident95 Ų9585.6 Ų85.658%0.58348%0.48SS*.Hα-helixtrans-63.6-42.1-17740.10000112.5N403 V404 G405T401-N403 VanDerWaalsContact C-N 3.33Å; T401-N403 PolarHBondContact O-N 2.82Å; T401-V404 PolarHBondContact O-N 3.01Å; T401-V404 VanDerWaalsContact O-N 3.15Å; T401-G405 PolarHBondContact O-N 3.17Å; T401-G405 VanDerWaalsContact O-N 3.17Å
402D75.8Confident73.8Confident68 Ų6880.1 Ų80.136%0.36445%0.453SS..Hα-helixtrans-71.9-35.2-165.7-61.818.9000110.1H398 A400 V404 G405 H406H398-D402 IonicContact CG-OD2 3.74Å; H398-D402 IonicContact ND1-OD1 3.78Å; H398-D402 IonicContact ND1-OD2 2.85Å; H398-D402 PolarHBondContact ND1-OD2 2.71Å; H398-D402 WeakPolarHBondContact O-CB 3.36Å; H398-D402 VanDerWaalsContact O-CG 3.23Å; A400-D402 PolarHBondContact O-N 2.72Å; D402-V404 VanDerWaalsContact C-N 3.34Å; D402-V404 PolarHBondContact O-N 2.99Å; D402-G405 PolarHBondContact O-N 3.14Å; D402-H406 WeakPolarHBondContact O-CB 3.27Å; D402-H406 PolarHBondContact O-CD2 3.15Å; D402-H406 PolarHBondContact O-N 2.86Å
403N81Confident75.8Confident77 Ų7778 Ų7841%0.41244%0.438SS..Hα-helixtrans-59.3-39.7173.1-77-47.7000112.8G399 T401 V407G399-N403 PolarHBondContact O-ND2 2.66Å; T401-N403 VanDerWaalsContact C-N 3.33Å; T401-N403 PolarHBondContact O-N 2.82Å; N403-V407 PolarHBondContact O-N 3.41Å
404V82.7Confident77.8Confident84 Ų8471.3 Ų71.351%0.50940%0.402SS..Hα-helixtrans-66.3-47.7175.4-177.10000109.8T401 D402 H406 V407 T408T401-V404 PolarHBondContact O-N 3.01Å; T401-V404 VanDerWaalsContact O-N 3.15Å; D402-V404 VanDerWaalsContact C-N 3.34Å; D402-V404 PolarHBondContact O-N 2.99Å; V404-H406 VanDerWaalsContact C-N 3.31Å; V404-H406 PolarHBondContact O-N 3.48Å; V404-V407 PolarHBondContact O-N 2.98Å; V404-T408 PolarHBondContact O-N 3.2Å; V404-T408 VanDerWaalsContact O-N 3.11Å; V404-T408 PolarHBondContact O-OG1 3.22Å; V404-T408 VanDerWaalsContact O-OG1 3.04Å
405G87.2Confident79.7Confident29 Ų2966.6 Ų66.630%0.29937%0.369SS..Hα-helixtrans-59.3-37.9177.100000113.7T401 D402 R409T401-G405 PolarHBondContact O-N 3.17Å; T401-G405 VanDerWaalsContact O-N 3.17Å; D402-G405 PolarHBondContact O-N 3.14Å; G405-R409 VanDerWaalsContact O-CG 3.3Å; G405-R409 WeakPolarHBondContact O-CG 3.48Å; G405-R409 PolarHBondContact O-N 3.41Å
406H88.2Confident81.6Confident66 Ų6668 Ų6831%0.30637%0.365SS..Hα-helixtrans-64.3-47.5177.8-88.5-72.3000112.9D402 V404 T408 R409 L410 S469D402-H406 WeakPolarHBondContact O-CB 3.27Å; D402-H406 PolarHBondContact O-CD2 3.15Å; D402-H406 PolarHBondContact O-N 2.86Å; V404-H406 VanDerWaalsContact C-N 3.31Å; V404-H406 PolarHBondContact O-N 3.48Å; H406-T408 VanDerWaalsContact C-N 3.35Å; H406-R409 PolarHBondContact O-N 2.86Å; H406-L410 PolarHBondContact O-N 2.7Å; H406-S469 PolarHBondContact ND1-O 3.3Å
407V88.8Confident83.6Confident34 Ų3464.6 Ų64.621%0.20635%0.346CS..Hα-helixtrans-72.3-31.2-179-173.20000111.7R173 N403 V404 L410 L411R173-V407 VanDerWaalsContact NH2-CG1 3.28Å; N403-V407 PolarHBondContact O-N 3.41Å; V404-V407 PolarHBondContact O-N 2.98Å; V407-L410 HydrophobicContact CG1-CD2 4.25Å; V407-L410 WeakPolarHBondContact O-CB 3.42Å; V407-L410 PolarHBondContact O-N 3.46Å; V407-L411 PolarHBondContact O-N 2.76Å; V407-L411 VanDerWaalsContact O-N 3.1Å
408T91.7Very high85.6Confident6 Ų653.6 Ų53.64%0.03730%0.304CS..Hα-helixtrans-64.9-40.6171.9-570000111.8I177 I256 I260 V404 H406 L411 V412I177-T408 HydrophobicContact CD1-CG2 3.62Å; I256-T408 HydrophobicContact CG2-CG2 3.26Å; I260-T408 HydrophobicContact CD1-CG2 3.91Å; V404-T408 PolarHBondContact O-N 3.2Å; V404-T408 VanDerWaalsContact O-N 3.11Å; V404-T408 PolarHBondContact O-OG1 3.22Å; V404-T408 VanDerWaalsContact O-OG1 3.04Å; H406-T408 VanDerWaalsContact C-N 3.35Å; T408-L411 PolarHBondContact O-N 3.26Å; T408-V412 WeakPolarHBondContact O-CG2 3.37Å; T408-V412 PolarHBondContact O-N 3.13Å; T408-V412 VanDerWaalsContact O-N 3.14Å
409R92.2Very high87.4Confident157 Ų15750 Ų5059%0.59229%0.288SS*.Hα-helixtrans-64.4-40173.9-71.1175.4-157.7-174.99.1112.5G405 H406 L411 V412 C413G405-R409 VanDerWaalsContact O-CG 3.3Å; G405-R409 WeakPolarHBondContact O-CG 3.48Å; G405-R409 PolarHBondContact O-N 3.41Å; H406-R409 PolarHBondContact O-N 2.86Å; R409-L411 PolarHBondContact O-N 3.19Å; R409-V412 PolarHBondContact O-N 2.8Å; R409-C413 PolarHBondContact O-N 3.36Å; R409-C413 PolarHBondContact O-SG 2.84Å; R409-C413 VanDerWaalsContact O-SG 3.37Å
410L92.1Very high89.1Confident13 Ų1348.6 Ų48.67%0.06827%0.271CS..Hα-helixtrans-52.9-54.2171.6164.7116.2000110.6H406 V407 V412 C413 M414 F465 Y466 S469H406-L410 PolarHBondContact O-N 2.7Å; V407-L410 HydrophobicContact CG1-CD2 4.25Å; V407-L410 WeakPolarHBondContact O-CB 3.42Å; V407-L410 PolarHBondContact O-N 3.46Å; L410-V412 VanDerWaalsContact C-N 3.32Å; L410-V412 PolarHBondContact O-N 2.95Å; L410-C413 CarbonylContact O-C 3.6Å; L410-C413 WeakPolarHBondContact O-CA 3.5Å; L410-C413 WeakPolarHBondContact O-CB 3.47Å; L410-C413 PolarHBondContact O-N 3.4Å; L410-M414 HydrophobicContact CD1-SD 4.18Å; L410-M414 HydrophobicContact CD2-SD 3.71Å; L410-M414 HydrophobicContact CG-CG 4.23Å; L410-M414 HydrophobicContact CG-SD 3.8Å; L410-M414 PolarHBondContact O-N 3.2Å; L410-F465 VanDerWaalsContact CD1-C 3.41Å; L410-F465 HydrophobicContact CD1-CB 3.93Å; L410-F465 VanDerWaalsContact CD1-O 3.25Å; L410-F465 WeakPolarHBondContact CD1-O 3.45Å; L410-Y466 HydrophobicContact CD1-CD1 3.59Å; L410-Y466 HydrophobicContact CD1-CE1 4.21Å; L410-Y466 HydrophobicContact CD1-CG 4.5Å; L410-Y466 HydrophobicContact CD2-CD1 4.18Å; L410-Y466 HydrophobicContact CD2-CE1 4.14Å; L410-Y466 HydrophobicContact CG-CD1 4.49Å; L410-S469 WeakPolarHBondContact CD1-OG 3.03Å
411L93.1Very high90.6Very high6 Ų645.4 Ų45.43%0.03124%0.244CC..Hα-helixtrans-62.3-40.4-174.4-175.8145.4000112.1L169 R173 I256 V407 T408 R409 C413 M414 N415L169-L411 HydrophobicContact CD2-CD1 4.5Å; L169-L411 HydrophobicContact CG-CD1 3.89Å; R173-L411 HydrophobicContact CB-CD1 4.05Å; R173-L411 HydrophobicContact CG-CD1 3.78Å; I256-L411 HydrophobicContact CD1-CD2 3.87Å; V407-L411 PolarHBondContact O-N 2.76Å; V407-L411 VanDerWaalsContact O-N 3.1Å; T408-L411 PolarHBondContact O-N 3.26Å; R409-L411 PolarHBondContact O-N 3.19Å; L411-C413 VanDerWaalsContact C-N 3.32Å; L411-C413 PolarHBondContact O-N 3.27Å; L411-M414 PolarHBondContact O-N 3.28Å; L411-N415 VanDerWaalsContact CD2-ND2 3.35Å; L411-N415 WeakPolarHBondContact CD2-ND2 3.33Å; L411-N415 WeakPolarHBondContact O-CB 3.48Å; L411-N415 VanDerWaalsContact O-CG 3.29Å; L411-N415 PolarHBondContact O-N 3.04Å; L411-N415 PolarHBondContact O-OD1 3.33Å
412V94.7Very high91.6Very high22 Ų2241 Ų4113%0.13322%0.217CC..Hα-helixtrans-59.7-42.7173.3173.90000110.9T253 I256 T408 R409 L410 N415 I416T253-V412 HydrophobicContact CG2-CG1 4.06Å; T253-V412 HydrophobicContact CG2-CG2 4.28Å; I256-V412 HydrophobicContact CG2-CG2 3.86Å; T408-V412 WeakPolarHBondContact O-CG2 3.37Å; T408-V412 PolarHBondContact O-N 3.13Å; T408-V412 VanDerWaalsContact O-N 3.14Å; R409-V412 PolarHBondContact O-N 2.8Å; L410-V412 VanDerWaalsContact C-N 3.32Å; L410-V412 PolarHBondContact O-N 2.95Å; V412-N415 PolarHBondContact O-N 2.87Å; V412-I416 HydrophobicContact CG1-CD1 3.78Å; V412-I416 WeakPolarHBondContact O-CB 3.25Å; V412-I416 WeakPolarHBondContact O-CD1 3.33Å; V412-I416 VanDerWaalsContact O-CG1 3.24Å; V412-I416 WeakPolarHBondContact O-CG1 3.3Å; V412-I416 PolarHBondContact O-N 3.46Å
413C95.3Very high92.5Very high62 Ų6244.1 Ų44.142%0.41923%0.225SC..Hα-helixtrans-65.8-43.1175.3-68.40000113.3R409 L410 L411 N415 I416 W417 F465R409-C413 PolarHBondContact O-N 3.36Å; R409-C413 PolarHBondContact O-SG 2.84Å; R409-C413 VanDerWaalsContact O-SG 3.37Å; L410-C413 CarbonylContact O-C 3.6Å; L410-C413 WeakPolarHBondContact O-CA 3.5Å; L410-C413 WeakPolarHBondContact O-CB 3.47Å; L410-C413 PolarHBondContact O-N 3.4Å; L411-C413 VanDerWaalsContact C-N 3.32Å; L411-C413 PolarHBondContact O-N 3.27Å; C413-N415 VanDerWaalsContact C-N 3.33Å; C413-N415 PolarHBondContact O-N 2.96Å; C413-I416 PolarHBondContact O-N 2.88Å; C413-W417 WeakPolarHBondContact O-CB 3.2Å; C413-W417 PolarHBondContact O-N 3.01Å; C413-F465 HydrophobicContact CB-CD1 4.09Å; C413-F465 HydrophobicContact CB-CE1 4.02Å
414M95.4Very high93.2Very high3 Ų340.9 Ų40.92%0.01521%0.208CC..Hα-helixtrans-62.9-38.8176.6-70.8178.376.600111.9Q166 L410 L411 W417 Y418 N462 F465 Y466Q166-M414 PolarHBondContact NE2-O 3.48Å; Q166-M414 VanDerWaalsContact NE2-O 3.12Å; L410-M414 HydrophobicContact CD1-SD 4.18Å; L410-M414 HydrophobicContact CD2-SD 3.71Å; L410-M414 HydrophobicContact CG-CG 4.23Å; L410-M414 HydrophobicContact CG-SD 3.8Å; L410-M414 PolarHBondContact O-N 3.2Å; L411-M414 PolarHBondContact O-N 3.28Å; M414-W417 PolarHBondContact O-N 2.82Å; M414-Y418 WeakPolarHBondContact O-CB 3.5Å; M414-Y418 PolarHBondContact O-N 3.4Å; M414-N462 HydrophobicContact CE-CB 4.11Å; M414-N462 WeakPolarHBondContact CE-OD1 3.18Å; M414-F465 HydrophobicContact CG-CB 3.85Å; M414-F465 HydrophobicContact CG-CD2 3.97Å; M414-F465 HydrophobicContact CG-CG 3.95Å; M414-Y466 HydrophobicContact CE-CE1 3.89Å; M414-Y466 WeakPolarHBondContact CE-OH 3.28Å; M414-Y466 HydrophobicContact SD-CD1 4.44Å; M414-Y466 HydrophobicContact SD-CE1 3.67Å
415N96.4Very high93.7Very high0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-70.9-41.3178.2-72.41.4000112.1Q166 S170 T253 L411 V412 C413 W417 Y418 M419Q166-N415 PolarHBondContact NE2-OD1 3.36Å; S170-N415 PolarHBondContact OG-ND2 2.9Å; S170-N415 PolarHBondContact OG-OD1 3.44Å; T253-N415 PolarHBondContact OG1-ND2 3.44Å; L411-N415 VanDerWaalsContact CD2-ND2 3.35Å; L411-N415 WeakPolarHBondContact CD2-ND2 3.33Å; L411-N415 WeakPolarHBondContact O-CB 3.48Å; L411-N415 VanDerWaalsContact O-CG 3.29Å; L411-N415 PolarHBondContact O-N 3.04Å; L411-N415 PolarHBondContact O-OD1 3.33Å; V412-N415 PolarHBondContact O-N 2.87Å; C413-N415 VanDerWaalsContact C-N 3.33Å; C413-N415 PolarHBondContact O-N 2.96Å; N415-W417 VanDerWaalsContact C-N 3.26Å; N415-W417 PolarHBondContact O-N 3.38Å; N415-Y418 PolarHBondContact O-N 2.81Å; N415-M419 HydrophobicContact CB-CE 4.17Å; N415-M419 WeakPolarHBondContact O-CG 3.29Å; N415-M419 PolarHBondContact O-N 3.4Å
416I95.5Very high94.1Very high75 Ų7536 Ų3639%0.38517%0.172SC..Hα-helixtrans-62.5-36.6172.8-68.6166.2000110.6L7 V412 C413 A420L7-I416 HydrophobicContact CD2-CG2 4.49Å; V412-I416 HydrophobicContact CG1-CD1 3.78Å; V412-I416 WeakPolarHBondContact O-CB 3.25Å; V412-I416 WeakPolarHBondContact O-CD1 3.33Å; V412-I416 VanDerWaalsContact O-CG1 3.24Å; V412-I416 WeakPolarHBondContact O-CG1 3.3Å; V412-I416 PolarHBondContact O-N 3.46Å; C413-I416 PolarHBondContact O-N 2.88Å; I416-A420 WeakPolarHBondContact O-CB 3.46Å; I416-A420 PolarHBondContact O-N 3.01Å
417W96.6Very high94.4Very high76 Ų7634.1 Ų34.129%0.28816%0.164SC..Hα-helixtrans-72.5-39.1176.2-171-94.4000113.5C413 M414 N415 M419 A420 S421 L457 S461 F465C413-W417 WeakPolarHBondContact O-CB 3.2Å; C413-W417 PolarHBondContact O-N 3.01Å; M414-W417 PolarHBondContact O-N 2.82Å; N415-W417 VanDerWaalsContact C-N 3.26Å; N415-W417 PolarHBondContact O-N 3.38Å; W417-M419 VanDerWaalsContact C-N 3.3Å; W417-M419 PolarHBondContact O-N 3.3Å; W417-A420 WeakPolarHBondContact O-CB 3.26Å; W417-A420 PolarHBondContact O-N 2.95Å; W417-S421 WeakPolarHBondContact O-CB 3.37Å; W417-S421 PolarHBondContact O-N 2.72Å; W417-S421 PolarHBondContact O-OG 2.82Å; W417-L457 HydrophobicContact CZ2-CB 4.25Å; W417-L457 PolarHBondContact NE1-O 3.18Å; W417-S461 PolarHBondContact NE1-OG 3.02Å; W417-F465 HydrophobicContact CB-CE2 3.63Å; W417-F465 HydrophobicContact CB-CZ 3.59Å; W417-F465 AromaticContact CD1-CE2 3.81Å; W417-F465 HydrophobicContact CD2-CE2 4.1Å; W417-F465 AromaticContact CD2-CZ 3.92Å; W417-F465 HydrophobicContact CD2-CZ 3.92Å; W417-F465 HydrophobicContact CE3-CZ 4.19Å; W417-F465 AromaticContact CG-CE2 3.54Å; W417-F465 HydrophobicContact CG-CE2 3.54Å; W417-F465 AromaticContact CG-CZ 3.66Å; W417-F465 HydrophobicContact CG-CZ 3.66Å
418Y96.3Very high94.6Very high8 Ų833 Ų333%0.03116%0.156CC..Hα-helixtrans-56.4-47.9170.7-178-77.9000110.2A163 M249 M414 N415 S421 T422 N458A163-Y418 HydrophobicContact CB-CE2 4.13Å; A163-Y418 WeakPolarHBondContact CB-OH 3.46Å; M249-Y418 HydrophobicContact CE-CD1 3.52Å; M249-Y418 HydrophobicContact CE-CD2 4.09Å; M249-Y418 HydrophobicContact CE-CE1 3.46Å; M249-Y418 VanDerWaalsContact CE-CE1 3.46Å; M249-Y418 HydrophobicContact CE-CE2 4.03Å; M249-Y418 HydrophobicContact CE-CG 3.87Å; M249-Y418 HydrophobicContact SD-CD1 4.14Å; M249-Y418 HydrophobicContact SD-CD2 4.4Å; M249-Y418 HydrophobicContact SD-CG 4.05Å; M414-Y418 WeakPolarHBondContact O-CB 3.5Å; M414-Y418 PolarHBondContact O-N 3.4Å; N415-Y418 PolarHBondContact O-N 2.81Å; Y418-S421 PolarHBondContact O-N 2.55Å; Y418-S421 PolarHBondContact O-OG 3.32Å; Y418-T422 HydrophobicContact CE1-CG2 3.95Å; Y418-T422 WeakPolarHBondContact CE1-OG1 3.23Å; Y418-T422 WeakPolarHBondContact O-CB 3.5Å; Y418-T422 PolarHBondContact O-N 3.24Å; Y418-T422 PolarHBondContact O-OG1 3.28Å; Y418-N458 WeakPolarHBondContact CA-OD1 3.36Å
419M94.7Very high94.7Very high41 Ų4133 Ų3320%0.20216%0.156CC..Hα-helixtrans-58.4-52.6175.6-67164-159.600110.5L246 M249 T250 N415 W417 S421 T422 Y423L246-M419 HydrophobicContact CD1-CE 4.33Å; L246-M419 HydrophobicContact CD1-CG 3.62Å; L246-M419 HydrophobicContact CD1-SD 4.45Å; M249-M419 HydrophobicContact CB-CE 3.91Å; T250-M419 HydrophobicContact CG2-CE 3.49Å; T250-M419 VanDerWaalsContact CG2-CE 3.49Å; T250-M419 HydrophobicContact CG2-SD 3.95Å; N415-M419 HydrophobicContact CB-CE 4.17Å; N415-M419 WeakPolarHBondContact O-CG 3.29Å; N415-M419 PolarHBondContact O-N 3.4Å; W417-M419 VanDerWaalsContact C-N 3.3Å; W417-M419 PolarHBondContact O-N 3.3Å; M419-S421 VanDerWaalsContact C-N 3.32Å; M419-S421 PolarHBondContact O-N 2.89Å; M419-T422 PolarHBondContact O-N 3.37Å; M419-Y423 WeakPolarHBondContact O-CB 3.17Å; M419-Y423 PolarHBondContact O-N 2.92Å
420A95.8Very high94.7Very high24 Ų2429.3 Ų29.320%0.19815%0.146CC..Hα-helixtrans-53.6-42.8178.500000114.6L7 I416 W417 P424L7-A420 HydrophobicContact CD1-CB 3.34Å; L7-A420 HydrophobicContact CD2-CB 4.16Å; L7-A420 HydrophobicContact CG-CB 4.4Å; I416-A420 WeakPolarHBondContact O-CB 3.46Å; I416-A420 PolarHBondContact O-N 3.01Å; W417-A420 WeakPolarHBondContact O-CB 3.26Å; W417-A420 PolarHBondContact O-N 2.95Å; A420-P424 WeakPolarHBondContact O-CD 3.47Å
421S95.9Very high94.8Very high7 Ų730.5 Ų30.55%0.04915%0.153CC..Hα-helixtrans-86.1-28.7-174.849.30000113.9W417 Y418 M419 L454W417-S421 WeakPolarHBondContact O-CB 3.37Å; W417-S421 PolarHBondContact O-N 2.72Å; W417-S421 PolarHBondContact O-OG 2.82Å; Y418-S421 PolarHBondContact O-N 2.55Å; Y418-S421 PolarHBondContact O-OG 3.32Å; M419-S421 VanDerWaalsContact C-N 3.32Å; M419-S421 PolarHBondContact O-N 2.89Å; S421-L454 WeakPolarHBondContact CB-O 3.34Å; S421-L454 CarbonylContact O-C 3.19Å
422T95Very high94.7Very high3 Ų331 Ų312%0.01816%0.155CC..Hα-helixtrans-96.8-30.2-174.7-44.30000112.7W241 Y418 M419 P424 L425 I426W241-T422 HydrophobicContact CH2-CG2 3.3Å; W241-T422 HydrophobicContact CZ2-CG2 3.38Å; W241-T422 HydrophobicContact CZ3-CG2 4.27Å; Y418-T422 HydrophobicContact CE1-CG2 3.95Å; Y418-T422 WeakPolarHBondContact CE1-OG1 3.23Å; Y418-T422 WeakPolarHBondContact O-CB 3.5Å; Y418-T422 PolarHBondContact O-N 3.24Å; Y418-T422 PolarHBondContact O-OG1 3.28Å; M419-T422 PolarHBondContact O-N 3.37Å; T422-P424 VanDerWaalsContact C-CD 3.46Å; T422-L425 PolarHBondContact O-N 3.36Å; T422-L425 VanDerWaalsContact O-N 3.11Å; T422-I426 HydrophobicContact CG2-CD1 3.9Å; T422-I426 HydrophobicContact CG2-CG1 4.22Å; T422-I426 PolarHBondContact O-N 2.81Å; T422-I426 VanDerWaalsContact O-N 3.1Å
423Y93.7Very high94.4Very high133 Ų13331.6 Ų31.652%0.52216%0.158SC..Hα-helixtrans-58.6-35.1-177.8-167.7-122000114.4M419 L425 I426 I427M419-Y423 WeakPolarHBondContact O-CB 3.17Å; M419-Y423 PolarHBondContact O-N 2.92Å; Y423-L425 PolarHBondContact O-N 3.43Å; Y423-I426 PolarHBondContact O-N 3.39Å; Y423-I427 HydrophobicContact CD1-CD1 3.55Å; Y423-I427 HydrophobicContact CD1-CG1 4.23Å; Y423-I427 HydrophobicContact CD2-CG1 4.47Å; Y423-I427 HydrophobicContact CE1-CD1 3.48Å; Y423-I427 VanDerWaalsContact CE1-CD1 3.48Å; Y423-I427 HydrophobicContact CE1-CG1 4.07Å; Y423-I427 HydrophobicContact CE2-CG1 4.3Å; Y423-I427 HydrophobicContact CG-CD1 4.15Å; Y423-I427 HydrophobicContact CG-CG1 4.43Å; Y423-I427 WeakPolarHBondContact O-CG1 3.36Å; Y423-I427 PolarHBondContact O-N 3.43Å
424P95.1Very high94.3Very high9 Ų935 Ų356%0.05817%0.165CC..Hα-helixtrans-55-45.6171.4-29.438.1000113.7Y14 A420 T422 I427 Y428 L454Y14-P424 HydrophobicContact CD1-CB 4.25Å; Y14-P424 HydrophobicContact CD1-CG 4.48Å; Y14-P424 HydrophobicContact CE1-CB 3.72Å; Y14-P424 HydrophobicContact CE1-CG 4.38Å; Y14-P424 HydrophobicContact CE2-CB 4.14Å; Y14-P424 PolarHBondContact OH-O 2.92Å; A420-P424 WeakPolarHBondContact O-CD 3.47Å; T422-P424 VanDerWaalsContact C-CD 3.46Å; P424-I427 PolarHBondContact O-N 3.35Å; P424-Y428 WeakPolarHBondContact O-CB 3.26Å; P424-Y428 PolarHBondContact O-N 3.2Å; P424-L454 HydrophobicContact CB-CD1 3.82Å; P424-L454 HydrophobicContact CG-CD1 3.89Å
425L94.8Very high94.2Very high1 Ų138.4 Ų38.41%0.00519%0.186CC..Hα-helixtrans-71-35.7178.1-176.656.6000112.1W241 T422 Y423 Y428 L429 Y448 R452W241-L425 HydrophobicContact CH2-CB 4.34Å; W241-L425 HydrophobicContact CH2-CD2 3.69Å; W241-L425 HydrophobicContact CH2-CG 4.08Å; W241-L425 HydrophobicContact CZ3-CD2 4.14Å; W241-L425 HydrophobicContact CZ3-CG 4.24Å; T422-L425 PolarHBondContact O-N 3.36Å; T422-L425 VanDerWaalsContact O-N 3.11Å; Y423-L425 PolarHBondContact O-N 3.43Å; L425-Y428 HydrophobicContact CD1-CD1 4.04Å; L425-Y428 PolarHBondContact O-N 2.99Å; L425-L429 HydrophobicContact CD1-CD1 4.32Å; L425-L429 HydrophobicContact CD1-CG 4.12Å; L425-L429 HydrophobicContact CG-CD1 4.16Å; L425-L429 HydrophobicContact CG-CG 4.43Å; L425-L429 WeakPolarHBondContact O-CB 3.45Å; L425-L429 WeakPolarHBondContact O-CG 3.18Å; L425-L429 PolarHBondContact O-N 3.46Å; L425-Y448 HydrophobicContact CD1-CD2 4.29Å; L425-Y448 HydrophobicContact CD1-CE2 4.41Å; L425-R452 HydrophobicContact CD2-CB 4.45Å
426I94.3Very high93.8Very high10 Ų1039.8 Ų39.85%0.05119%0.194CC..Hα-helixtrans-64.5-44.7174.9-66.2172.6000110.9F238 W241 L246 T422 Y423 Y428 M430F238-I426 HydrophobicContact CD2-CG2 3.96Å; F238-I426 HydrophobicContact CE2-CG2 3.6Å; W241-I426 HydrophobicContact CH2-CG1 4.42Å; W241-I426 HydrophobicContact CZ3-CG1 4.05Å; L246-I426 HydrophobicContact CD2-CD1 4.21Å; T422-I426 HydrophobicContact CG2-CD1 3.9Å; T422-I426 HydrophobicContact CG2-CG1 4.22Å; T422-I426 PolarHBondContact O-N 2.81Å; T422-I426 VanDerWaalsContact O-N 3.1Å; Y423-I426 PolarHBondContact O-N 3.39Å; I426-Y428 VanDerWaalsContact C-N 3.35Å; I426-M430 WeakPolarHBondContact O-CB 3.28Å; I426-M430 PolarHBondContact O-N 2.97Å; I426-M430 VanDerWaalsContact O-N 3.07Å
427I94.8Very high93.5Very high26 Ų2642 Ų4213%0.13321%0.211CC..Hα-helixtrans-60.1-46.3172.5-67.3160.6000110.3Y14 L18 Y423 P424 M430 L431Y14-I427 HydrophobicContact CE1-CD1 4.21Å; L18-I427 HydrophobicContact CD1-CG2 3.82Å; Y423-I427 HydrophobicContact CD1-CD1 3.55Å; Y423-I427 HydrophobicContact CD1-CG1 4.23Å; Y423-I427 HydrophobicContact CD2-CG1 4.47Å; Y423-I427 HydrophobicContact CE1-CD1 3.48Å; Y423-I427 VanDerWaalsContact CE1-CD1 3.48Å; Y423-I427 HydrophobicContact CE1-CG1 4.07Å; Y423-I427 HydrophobicContact CE2-CG1 4.3Å; Y423-I427 HydrophobicContact CG-CD1 4.15Å; Y423-I427 HydrophobicContact CG-CG1 4.43Å; Y423-I427 WeakPolarHBondContact O-CG1 3.36Å; Y423-I427 PolarHBondContact O-N 3.43Å; P424-I427 PolarHBondContact O-N 3.35Å; I427-M430 WeakPolarHBondContact O-CB 3.44Å; I427-M430 PolarHBondContact O-N 2.96Å; I427-L431 HydrophobicContact CG2-CD1 3.76Å; I427-L431 HydrophobicContact CG2-CG 4.14Å; I427-L431 WeakPolarHBondContact O-CG 3.37Å; I427-L431 PolarHBondContact O-N 2.87Å
428Y94.1Very high93Very high10 Ų1045 Ų454%0.03923%0.233CC..Hα-helixtrans-60.6-47.3-178.4172.4-93.2000112.2P424 L425 I426 M430 L431 L432 H444 M447 Y448P424-Y428 WeakPolarHBondContact O-CB 3.26Å; P424-Y428 PolarHBondContact O-N 3.2Å; L425-Y428 HydrophobicContact CD1-CD1 4.04Å; L425-Y428 PolarHBondContact O-N 2.99Å; I426-Y428 VanDerWaalsContact C-N 3.35Å; Y428-M430 VanDerWaalsContact C-N 3.3Å; Y428-M430 PolarHBondContact O-N 3.32Å; Y428-L431 PolarHBondContact O-N 3.44Å; Y428-L432 HydrophobicContact CE1-CD2 4.25Å; Y428-L432 VanDerWaalsContact O-CB 3.3Å; Y428-L432 WeakPolarHBondContact O-CB 3.33Å; Y428-L432 PolarHBondContact O-N 3.21Å; Y428-H444 PolarHBondContact OH-CE1 3.23Å; Y428-H444 VanDerWaalsContact OH-CE1 3.26Å; Y428-H444 PolarHBondContact OH-ND1 3.01Å; Y428-H444 VanDerWaalsContact OH-ND1 3.08Å; Y428-H444 PolarHBondContact OH-O 3.05Å; Y428-M447 HydrophobicContact CD2-CB 3.68Å; Y428-M447 HydrophobicContact CE2-CB 3.39Å; Y428-Y448 AromaticContact CE1-CD2 3.94Å; Y428-Y448 HydrophobicContact CE1-CD2 3.94Å; Y428-Y448 HydrophobicContact CE1-CG 4.43Å
429L92.3Very high92.6Very high8 Ų846.7 Ų46.74%0.04224%0.244CC..Hα-helixtrans-64.7-33.3177-69.5172.1000112.7T234 F238 W241 L425 L432 N433T234-L429 HydrophobicContact CG2-CD2 4.44Å; F238-L429 HydrophobicContact CB-CB 4.42Å; F238-L429 HydrophobicContact CD2-CB 4.47Å; W241-L429 HydrophobicContact CZ3-CD1 4.21Å; L425-L429 HydrophobicContact CD1-CD1 4.32Å; L425-L429 HydrophobicContact CD1-CG 4.12Å; L425-L429 HydrophobicContact CG-CD1 4.16Å; L425-L429 HydrophobicContact CG-CG 4.43Å; L425-L429 WeakPolarHBondContact O-CB 3.45Å; L425-L429 WeakPolarHBondContact O-CG 3.18Å; L425-L429 PolarHBondContact O-N 3.46Å; L429-L432 HydrophobicContact CD2-CD2 4.49Å; L429-N433 PolarHBondContact O-N 3.39Å; L429-N433 VanDerWaalsContact O-N 3.17Å; L429-N433 PolarHBondContact O-ND2 3.3Å
430M93.2Very high92.3Very high78 Ų7848.1 Ų48.138%0.38425%0.252SS..Hα-helixtrans-67.1-48.3173.5-171.4-175.973.800111.5F238 I426 I427 Y428 L432 N433 F434F238-M430 HydrophobicContact CD2-CB 4.24Å; F238-M430 HydrophobicContact CE2-CB 3.68Å; F238-M430 HydrophobicContact CE2-CG 4.12Å; F238-M430 HydrophobicContact CE2-SD 4.49Å; F238-M430 HydrophobicContact CZ-CB 4.12Å; F238-M430 HydrophobicContact CZ-CG 4.04Å; F238-M430 HydrophobicContact CZ-SD 4.29Å; I426-M430 WeakPolarHBondContact O-CB 3.28Å; I426-M430 PolarHBondContact O-N 2.97Å; I426-M430 VanDerWaalsContact O-N 3.07Å; I427-M430 WeakPolarHBondContact O-CB 3.44Å; I427-M430 PolarHBondContact O-N 2.96Å; Y428-M430 VanDerWaalsContact C-N 3.3Å; Y428-M430 PolarHBondContact O-N 3.32Å; M430-L432 VanDerWaalsContact C-N 3.34Å; M430-L432 PolarHBondContact O-N 2.84Å; M430-N433 PolarHBondContact O-N 3.45Å; M430-F434 HydrophobicContact CG-CD2 3.77Å; M430-F434 HydrophobicContact CG-CE2 4.19Å; M430-F434 WeakPolarHBondContact O-CB 3.48Å; M430-F434 VanDerWaalsContact O-CD2 3.24Å; M430-F434 WeakPolarHBondContact O-CD2 3.24Å; M430-F434 PolarHBondContact O-N 2.99Å
431L93.8Very high91.8Very high39 Ų3953.6 Ų53.620%0.20427%0.268CS..Hα-helixtrans-62.2-42.5177-70.1174.4000111.2L18 I427 Y428 N433 F434 V435 L436L18-L431 HydrophobicContact CD1-CD1 4.34Å; L18-L431 HydrophobicContact CD2-CD1 3.84Å; I427-L431 HydrophobicContact CG2-CD1 3.76Å; I427-L431 HydrophobicContact CG2-CG 4.14Å; I427-L431 WeakPolarHBondContact O-CG 3.37Å; I427-L431 PolarHBondContact O-N 2.87Å; Y428-L431 PolarHBondContact O-N 3.44Å; L431-N433 VanDerWaalsContact C-N 3.32Å; L431-N433 PolarHBondContact O-N 3.12Å; L431-F434 PolarHBondContact O-N 2.98Å; L431-V435 HydrophobicContact CD2-CB 4.14Å; L431-V435 HydrophobicContact CD2-CG1 4.49Å; L431-V435 HydrophobicContact CD2-CG2 3.93Å; L431-V435 PolarHBondContact O-N 2.92Å; L431-L436 HydrophobicContact CB-CD1 3.73Å; L431-L436 HydrophobicContact CB-CG 4.12Å; L431-L436 VanDerWaalsContact O-CB 3.32Å; L431-L436 WeakPolarHBondContact O-CB 3.38Å; L431-L436 PolarHBondContact O-N 3.13Å
432L90.6Very high91.2Very high16 Ų1655.6 Ų55.68%0.08428%0.278CS..Hα-helixtrans-56.8-41.8176.1-175.565.9000112.6Y230 Y428 L429 M430Y230-L432 HydrophobicContact CE1-CD2 4.23Å; Y428-L432 HydrophobicContact CE1-CD2 4.25Å; Y428-L432 VanDerWaalsContact O-CB 3.3Å; Y428-L432 WeakPolarHBondContact O-CB 3.33Å; Y428-L432 PolarHBondContact O-N 3.21Å; L429-L432 HydrophobicContact CD2-CD2 4.49Å; M430-L432 VanDerWaalsContact C-N 3.34Å; M430-L432 PolarHBondContact O-N 2.84Å
433N89.5Confident90.8Very high34 Ų3456.2 Ų56.218%0.18228%0.282CS..Hα-helixtrans-86.2-23.8-177.5-81.4-76.5000114.8T234 L429 M430 L431T234-N433 PolarHBondContact OG1-ND2 2.83Å; T234-N433 PolarHBondContact OG1-OD1 2.85Å; L429-N433 PolarHBondContact O-N 3.39Å; L429-N433 VanDerWaalsContact O-N 3.17Å; L429-N433 PolarHBondContact O-ND2 3.3Å; M430-N433 PolarHBondContact O-N 3.45Å; L431-N433 VanDerWaalsContact C-N 3.32Å; L431-N433 PolarHBondContact O-N 3.12Å
434F92.3Very high90.5Very high133 Ų13351.9 Ų51.958%0.58327%0.266SS*.Hα-helixtrans-119.4-16.5-172.2-61.2-62.9000116.1L235 M430 L431L235-F434 HydrophobicContact CD1-CE2 4.49Å; L235-F434 HydrophobicContact CD1-CZ 3.94Å; M430-F434 HydrophobicContact CG-CD2 3.77Å; M430-F434 HydrophobicContact CG-CE2 4.19Å; M430-F434 WeakPolarHBondContact O-CB 3.48Å; M430-F434 VanDerWaalsContact O-CD2 3.24Å; M430-F434 WeakPolarHBondContact O-CD2 3.24Å; M430-F434 PolarHBondContact O-N 2.99Å; L431-F434 PolarHBondContact O-N 2.98Å
435V92.8Very high90.2Very high75 Ų7554 Ų5446%0.45527%0.274SS..THydrogen-bonded Turntrans-132.8-31.3-169.6-176.20000113.1K25 L431K25-V435 PolarHBondContact NZ-O 2.83Å; L431-V435 HydrophobicContact CD2-CB 4.14Å; L431-V435 HydrophobicContact CD2-CG1 4.49Å; L431-V435 HydrophobicContact CD2-CG2 3.93Å; L431-V435 PolarHBondContact O-N 2.92Å
436L89.6Confident89.8Confident29 Ų2955.8 Ų55.815%0.15228%0.282CS..  trans-110.658.1-164.9-68.8-175.7000112.1F21 L431 N438 V439F21-L436 HydrophobicContact CE1-CD2 4.47Å; L431-L436 HydrophobicContact CB-CD1 3.73Å; L431-L436 HydrophobicContact CB-CG 4.12Å; L431-L436 VanDerWaalsContact O-CB 3.32Å; L431-L436 WeakPolarHBondContact O-CB 3.38Å; L431-L436 PolarHBondContact O-N 3.13Å; L436-N438 PolarHBondContact O-N 2.87Å; L436-V439 HydrophobicContact CB-CG2 3.59Å; L436-V439 HydrophobicContact CD1-CG2 4.15Å; L436-V439 HydrophobicContact CD2-CG2 4.04Å; L436-V439 HydrophobicContact CG-CG2 4.14Å
437T87.5Confident89.6Confident121 Ų12156.1 Ų56.174%0.74228%0.283SS*.SBendtrans-56.4-46.5175.949.10000112.9
438N87.8Confident89.5Confident141 Ų14157.3 Ų57.375%0.75429%0.287SS*.SBendtrans-115.2111.2177.5-66.8-23.9000109.6L436L436-N438 PolarHBondContact O-N 2.87Å
439V86.2Confident89.3Confident43 Ų4358.3 Ų58.326%0.26129%0.291SS..  trans-134.5139.8172.1-179.10000108.6F21 L436 R441 V443 H444F21-V439 HydrophobicContact CE1-CG1 4.42Å; F21-V439 HydrophobicContact CZ-CG1 4.17Å; L436-V439 HydrophobicContact CB-CG2 3.59Å; L436-V439 HydrophobicContact CD1-CG2 4.15Å; L436-V439 HydrophobicContact CD2-CG2 4.04Å; L436-V439 HydrophobicContact CG-CG2 4.14Å; V439-R441 PolarHBondContact O-N 3.39Å; V439-V443 HydrophobicContact CG1-CB 4.31Å; V439-H444 HydrophobicContact CG1-CB 4.1Å
440D88.4Confident89.3Confident70 Ų7058.5 Ų58.537%0.37429%0.291SS..  trans-52.9130.6172-172.3-37.9000111D442 V443 H444D440-D442 PolarHBondContact O-N 3.01Å; D440-D442 VanDerWaalsContact O-N 3.14Å; D440-D442 PolarHBondContact OD1-N 3.21Å; D440-V443 HydrophobicContact CB-CB 4.29Å; D440-V443 HydrophobicContact CB-CG2 4.08Å; D440-V443 PolarHBondContact O-N 2.98Å; D440-V443 VanDerWaalsContact O-N 3.08Å; D440-H444 WeakPolarHBondContact O-CB 3.44Å; D440-H444 PolarHBondContact O-N 3.35Å
441R85.2Confident89.3Confident140 Ų14054.8 Ų54.853%0.52827%0.273SS..Hα-helixtrans-55.7-32.7-177.5-165.3177.8-172.3-145.4-2111.8D221 V439 K445D221-R441 IonicContact OD2-CZ 2.76Å; D221-R441 IonicContact OD2-NH1 3.94Å; D221-R441 IonicContact OD2-NH2 3.91Å; D221-R441 PolarHBondContact OD2-NH2 3.35Å; V439-R441 PolarHBondContact O-N 3.39Å; R441-K445 HydrophobicContact CG-CD 4.42Å; R441-K445 WeakPolarHBondContact O-CB 3.08Å; R441-K445 WeakPolarHBondContact O-CD 3.36Å; R441-K445 WeakPolarHBondContact O-CG 3.46Å; R441-K445 PolarHBondContact O-N 3.09Å
442D84.3Confident89.3Confident48 Ų4853.2 Ų53.226%0.25727%0.265SS..Hα-helixtrans-77.1-39.1178.5-81.9-7.8000112.2Y68 D440 K445 F446Y68-D442 HydrophobicContact CD1-CB 3.77Å; Y68-D442 HydrophobicContact CE1-CB 3.92Å; D440-D442 PolarHBondContact O-N 3.01Å; D440-D442 VanDerWaalsContact O-N 3.14Å; D440-D442 PolarHBondContact OD1-N 3.21Å; D442-K445 PolarHBondContact O-N 2.94Å; D442-F446 WeakPolarHBondContact O-CB 3.41Å; D442-F446 PolarHBondContact O-N 2.95Å
443V85.9Confident89.4Confident17 Ų1752.4 Ų52.410%0.10326%0.261CS..Hα-helixtrans-71.3-37.1175.2-176.30000111.6F21 V439 D440 F446 M447F21-V443 HydrophobicContact CD2-CG1 4.38Å; F21-V443 HydrophobicContact CE2-CB 4.48Å; F21-V443 HydrophobicContact CE2-CG1 3.66Å; F21-V443 HydrophobicContact CZ-CB 4.47Å; F21-V443 HydrophobicContact CZ-CG1 3.77Å; V439-V443 HydrophobicContact CG1-CB 4.31Å; D440-V443 HydrophobicContact CB-CB 4.29Å; D440-V443 HydrophobicContact CB-CG2 4.08Å; D440-V443 PolarHBondContact O-N 2.98Å; D440-V443 VanDerWaalsContact O-N 3.08Å; V443-F446 PolarHBondContact O-N 2.67Å; V443-M447 HydrophobicContact CG1-CG 4.3Å; V443-M447 PolarHBondContact O-N 2.63Å
444H89Confident89.7Confident41 Ų4151.2 Ų51.219%0.1925%0.254CS..Hα-helixtrans-56-55.5170.1170.398.5000110.1Y230 Y428 V439 D440 F446 M447 Y448Y230-H444 PolarHBondContact OH-CE1 3.46Å; Y428-H444 PolarHBondContact OH-CE1 3.23Å; Y428-H444 VanDerWaalsContact OH-CE1 3.26Å; Y428-H444 PolarHBondContact OH-ND1 3.01Å; Y428-H444 VanDerWaalsContact OH-ND1 3.08Å; Y428-H444 PolarHBondContact OH-O 3.05Å; V439-H444 HydrophobicContact CG1-CB 4.1Å; D440-H444 WeakPolarHBondContact O-CB 3.44Å; D440-H444 PolarHBondContact O-N 3.35Å; H444-F446 VanDerWaalsContact C-N 3.32Å; H444-F446 PolarHBondContact O-N 2.95Å; H444-M447 PolarHBondContact O-N 3.42Å; H444-Y448 WeakPolarHBondContact O-CB 3.48Å; H444-Y448 PolarHBondContact O-N 3.28Å
445K87Confident89.9Confident55 Ų5545.1 Ų45.124%0.23923%0.228CC..Hα-helixtrans-56.1-46.2177.7-79170.3178.3-179.50111.2R441 D442 Y449R441-K445 HydrophobicContact CG-CD 4.42Å; R441-K445 WeakPolarHBondContact O-CB 3.08Å; R441-K445 WeakPolarHBondContact O-CD 3.36Å; R441-K445 WeakPolarHBondContact O-CG 3.46Å; R441-K445 PolarHBondContact O-N 3.09Å; D442-K445 PolarHBondContact O-N 2.94Å; K445-Y449 HydrophobicContact CB-CD2 4.29Å; K445-Y449 HydrophobicContact CB-CE2 4.03Å; K445-Y449 HydrophobicContact CG-CE2 4.42Å; K445-Y449 WeakPolarHBondContact O-CD2 3.49Å; K445-Y449 PolarHBondContact O-N 2.74Å
446F87.3Confident90.1Very high37 Ų3741.6 Ų41.616%0.16221%0.206CC..Hα-helixtrans-56.1-57.5178173.6-115.1000112.8Y68 L71 D442 V443 H444 Y448 Y449 L450Y68-F446 HydrophobicContact CD2-CB 3.55Å; Y68-F446 AromaticContact CD2-CD2 3.73Å; Y68-F446 HydrophobicContact CD2-CD2 3.73Å; Y68-F446 AromaticContact CD2-CG 3.88Å; Y68-F446 HydrophobicContact CD2-CG 3.88Å; Y68-F446 HydrophobicContact CE2-CB 3.61Å; Y68-F446 AromaticContact CE2-CD2 3.99Å; Y68-F446 HydrophobicContact CE2-CD2 3.99Å; Y68-F446 HydrophobicContact CE2-CG 4.23Å; Y68-F446 HydrophobicContact CG-CB 4.39Å; L71-F446 HydrophobicContact CB-CE2 4.38Å; L71-F446 HydrophobicContact CD2-CE2 3.69Å; L71-F446 HydrophobicContact CD2-CZ 3.45Å; L71-F446 VanDerWaalsContact CD2-CZ 3.45Å; D442-F446 WeakPolarHBondContact O-CB 3.41Å; D442-F446 PolarHBondContact O-N 2.95Å; V443-F446 PolarHBondContact O-N 2.67Å; H444-F446 VanDerWaalsContact C-N 3.32Å; H444-F446 PolarHBondContact O-N 2.95Å; F446-Y448 VanDerWaalsContact C-N 3.29Å; F446-Y448 PolarHBondContact O-N 3.42Å; F446-Y449 PolarHBondContact O-N 3.12Å; F446-L450 HydrophobicContact CE1-CD2 4.21Å; F446-L450 HydrophobicContact CE2-CB 4.44Å; F446-L450 HydrophobicContact CZ-CB 4.47Å; F446-L450 HydrophobicContact CZ-CD2 3.84Å; F446-L450 WeakPolarHBondContact O-CB 3.47Å; F446-L450 PolarHBondContact O-N 2.88Å
447M90.3Very high90.4Very high17 Ų1742.3 Ų42.38%0.08421%0.21CC..Hα-helixtrans-66.9-32-175.2-70.7-65.9-74.800112.1Y14 I17 L18 Y428 V443 H444 L450 S451Y14-M447 HydrophobicContact CE2-CE 3.99Å; I17-M447 HydrophobicContact CG2-CE 4.3Å; I17-M447 HydrophobicContact CG2-SD 4.29Å; L18-M447 HydrophobicContact CD2-CE 3.66Å; L18-M447 HydrophobicContact CG-CE 4.44Å; Y428-M447 HydrophobicContact CD2-CB 3.68Å; Y428-M447 HydrophobicContact CE2-CB 3.39Å; V443-M447 HydrophobicContact CG1-CG 4.3Å; V443-M447 PolarHBondContact O-N 2.63Å; H444-M447 PolarHBondContact O-N 3.42Å; M447-L450 HydrophobicContact SD-CD2 4.45Å; M447-S451 VanDerWaalsContact O-CB 3.23Å; M447-S451 WeakPolarHBondContact O-CB 3.34Å; M447-S451 PolarHBondContact O-N 2.88Å; M447-S451 PolarHBondContact O-OG 3Å
448Y91.5Very high90.8Very high51 Ų5136.9 Ų36.920%0.218%0.177CC..Hα-helixtrans-63.7-54.8170.3179.1-101.9000111.9L425 Y428 H444 F446 L450 S451 R452L425-Y448 HydrophobicContact CD1-CD2 4.29Å; L425-Y448 HydrophobicContact CD1-CE2 4.41Å; Y428-Y448 AromaticContact CE1-CD2 3.94Å; Y428-Y448 HydrophobicContact CE1-CD2 3.94Å; Y428-Y448 HydrophobicContact CE1-CG 4.43Å; H444-Y448 WeakPolarHBondContact O-CB 3.48Å; H444-Y448 PolarHBondContact O-N 3.28Å; F446-Y448 VanDerWaalsContact C-N 3.29Å; F446-Y448 PolarHBondContact O-N 3.42Å; Y448-L450 PolarHBondContact O-N 3.16Å; Y448-S451 PolarHBondContact O-N 2.88Å; Y448-R452 VanDerWaalsContact O-CB 3.24Å; Y448-R452 WeakPolarHBondContact O-CB 3.43Å; Y448-R452 PolarHBondContact O-N 2.86Å
449Y90.8Very high91.3Very high32 Ų3230.2 Ų30.213%0.12514%0.141CC..Hα-helixtrans-62.2-41.5-178.8-70.6-52.4000112.2W129 M130 K445 F446 S453W129-Y449 HydrophobicContact CH2-CE1 4.04Å; W129-Y449 HydrophobicContact CZ3-CE1 4.35Å; M130-Y449 HydrophobicContact CE-CD1 3.95Å; M130-Y449 HydrophobicContact CG-CD1 4.28Å; M130-Y449 HydrophobicContact SD-CD1 4.15Å; K445-Y449 HydrophobicContact CB-CD2 4.29Å; K445-Y449 HydrophobicContact CB-CE2 4.03Å; K445-Y449 HydrophobicContact CG-CE2 4.42Å; K445-Y449 WeakPolarHBondContact O-CD2 3.49Å; K445-Y449 PolarHBondContact O-N 2.74Å; F446-Y449 PolarHBondContact O-N 3.12Å; Y449-S453 VanDerWaalsContact O-CB 3.26Å; Y449-S453 WeakPolarHBondContact O-CB 3.33Å; Y449-S453 PolarHBondContact O-N 3.4Å; Y449-S453 PolarHBondContact O-OG 3.45Å
450L91.6Very high91.8Very high11 Ų1128.7 Ų28.76%0.05813%0.132CC..Hα-helixtrans-55.8-57.3172.717860.8000110.2W10 F75 F446 M447 Y448 R452 S453 L454W10-L450 HydrophobicContact CH2-CD1 4.39Å; F75-L450 HydrophobicContact CD1-CD1 4.36Å; F75-L450 HydrophobicContact CE1-CD1 3.68Å; F75-L450 HydrophobicContact CE2-CD1 4.04Å; F75-L450 HydrophobicContact CZ-CD1 3.49Å; F75-L450 VanDerWaalsContact CZ-CD1 3.49Å; F446-L450 HydrophobicContact CE1-CD2 4.21Å; F446-L450 HydrophobicContact CE2-CB 4.44Å; F446-L450 HydrophobicContact CZ-CB 4.47Å; F446-L450 HydrophobicContact CZ-CD2 3.84Å; F446-L450 WeakPolarHBondContact O-CB 3.47Å; F446-L450 PolarHBondContact O-N 2.88Å; M447-L450 HydrophobicContact SD-CD2 4.45Å; Y448-L450 PolarHBondContact O-N 3.16Å; L450-R452 PolarHBondContact O-N 2.88Å; L450-S453 PolarHBondContact O-N 3.45Å; L450-S453 PolarHBondContact O-OG 2.82Å; L450-L454 WeakPolarHBondContact O-CG 3.42Å; L450-L454 PolarHBondContact O-N 3.41Å; L450-L454 VanDerWaalsContact O-N 3.09Å
451S93.9Very high92.1Very high0 Ų025.7 Ų25.70%012%0.117CC..Hα-helixtrans-64.8-38-175.7-55.70000113.4Y14 M447 Y448 L454 C455Y14-S451 PolarHBondContact OH-OG 3.46Å; M447-S451 VanDerWaalsContact O-CB 3.23Å; M447-S451 WeakPolarHBondContact O-CB 3.34Å; M447-S451 PolarHBondContact O-N 2.88Å; M447-S451 PolarHBondContact O-OG 3Å; Y448-S451 PolarHBondContact O-N 2.88Å; S451-L454 PolarHBondContact O-N 2.93Å; S451-C455 PolarHBondContact O-N 3.5Å; S451-C455 PolarHBondContact O-SG 2.93Å
452R93.8Very high92.6Very high6 Ų619.1 Ų19.12%0.0239%0.092CC..Hα-helixtrans-67.2-37.3175-169.868.5161.6-160-10.1111.6E126 M130 N156 F159 L425 Y448 L450 C455E126-R452 IonicContact OE1-NH2 2.87Å; E126-R452 IonicContact OE2-CZ 3.23Å; E126-R452 VanDerWaalsContact OE2-CZ 3.22Å; E126-R452 IonicContact OE2-NE 2.67Å; E126-R452 PolarHBondContact OE2-NE 3.02Å; E126-R452 IonicContact OE2-NH2 2.79Å; E126-R452 PolarHBondContact OE2-NH2 3.23Å; M130-R452 HydrophobicContact CE-CB 4.06Å; M130-R452 HydrophobicContact CE-CG 3.79Å; N156-R452 PolarHBondContact OD1-NH2 3.25Å; F159-R452 VanDerWaalsContact CE2-NE 3.35Å; L425-R452 HydrophobicContact CD2-CB 4.45Å; Y448-R452 VanDerWaalsContact O-CB 3.24Å; Y448-R452 WeakPolarHBondContact O-CB 3.43Å; Y448-R452 PolarHBondContact O-N 2.86Å; L450-R452 PolarHBondContact O-N 2.88Å; R452-C455 WeakPolarHBondContact O-CB 3.37Å; R452-C455 PolarHBondContact O-N 3.29Å
453S93.8Very high93.1Very high0 Ų019.9 Ų19.90%09%0.092CC..Hα-helixtrans-68.5-32.7175.878.80000113.3F75 Y79 Y449 L450 C455 F456F75-S453 WeakPolarHBondContact CE1-OG 3.33Å; F75-S453 VanDerWaalsContact CZ-OG 3.25Å; F75-S453 WeakPolarHBondContact CZ-OG 3.49Å; Y79-S453 PolarHBondContact OH-O 2.93Å; Y449-S453 VanDerWaalsContact O-CB 3.26Å; Y449-S453 WeakPolarHBondContact O-CB 3.33Å; Y449-S453 PolarHBondContact O-N 3.4Å; Y449-S453 PolarHBondContact O-OG 3.45Å; L450-S453 PolarHBondContact O-N 3.45Å; L450-S453 PolarHBondContact O-OG 2.82Å; S453-C455 VanDerWaalsContact C-N 3.25Å; S453-C455 PolarHBondContact O-N 3.37Å; S453-F456 VanDerWaalsContact O-CB 3.27Å; S453-F456 WeakPolarHBondContact O-CB 3.44Å; S453-F456 PolarHBondContact O-N 2.77Å
454L94.7Very high93.5Very high8 Ų823.1 Ų23.14%0.04211%0.108CC..Hα-helixtrans-62.7-34.8172.4-64170.8000111.4W10 S421 P424 L450 S451 F456 L457W10-L454 HydrophobicContact CE3-CD1 4.39Å; W10-L454 HydrophobicContact CH2-CD1 3.46Å; W10-L454 VanDerWaalsContact CH2-CD1 3.46Å; W10-L454 HydrophobicContact CH2-CD2 3.65Å; W10-L454 HydrophobicContact CH2-CG 4.11Å; W10-L454 HydrophobicContact CZ2-CD1 4.38Å; W10-L454 HydrophobicContact CZ2-CD2 3.72Å; W10-L454 HydrophobicContact CZ3-CD1 3.45Å; W10-L454 VanDerWaalsContact CZ3-CD1 3.45Å; W10-L454 HydrophobicContact CZ3-CD2 4.16Å; W10-L454 HydrophobicContact CZ3-CG 4.45Å; S421-L454 WeakPolarHBondContact CB-O 3.34Å; S421-L454 CarbonylContact O-C 3.19Å; P424-L454 HydrophobicContact CB-CD1 3.82Å; P424-L454 HydrophobicContact CG-CD1 3.89Å; L450-L454 WeakPolarHBondContact O-CG 3.42Å; L450-L454 PolarHBondContact O-N 3.41Å; L450-L454 VanDerWaalsContact O-N 3.09Å; S451-L454 PolarHBondContact O-N 2.93Å; L454-F456 PolarHBondContact O-N 3.19Å; L454-L457 HydrophobicContact CD2-CD1 4.01Å; L454-L457 WeakPolarHBondContact O-CB 3.01Å; L454-L457 PolarHBondContact O-N 3.16Å
455C96.2Very high93.8Very high6 Ų623.3 Ų23.34%0.04111%0.108CC..Hα-helixtrans-63.2-28.8174.5-58.50000112.2F159 S451 R452 S453 L457 N458F159-C455 HydrophobicContact CE1-CB 3.94Å; S451-C455 PolarHBondContact O-N 3.5Å; S451-C455 PolarHBondContact O-SG 2.93Å; R452-C455 WeakPolarHBondContact O-CB 3.37Å; R452-C455 PolarHBondContact O-N 3.29Å; S453-C455 VanDerWaalsContact C-N 3.25Å; S453-C455 PolarHBondContact O-N 3.37Å; C455-L457 PolarHBondContact O-N 3.43Å; C455-N458 WeakPolarHBondContact O-CB 3.43Å; C455-N458 PolarHBondContact O-N 2.89Å
456F96.7Very high94Very high0 Ų020.9 Ų20.90%010%0.097CC..Hα-helixtrans-65.2-22.3171.6-56.2-34.7000112.8L80 V83 I122 L123 E126 M130 F159 S453 L454 N458 A459 C460L80-F456 HydrophobicContact CD1-CD2 4.04Å; L80-F456 HydrophobicContact CD1-CE2 4Å; V83-F456 HydrophobicContact CG1-CB 3.72Å; I122-F456 HydrophobicContact CG2-CD1 3.8Å; I122-F456 HydrophobicContact CG2-CE1 3.92Å; L123-F456 HydrophobicContact CD2-CB 3.94Å; L123-F456 HydrophobicContact CD2-CD1 4.43Å; L123-F456 HydrophobicContact CD2-CG 4.29Å; E126-F456 HydrophobicContact CB-CE1 3.71Å; E126-F456 HydrophobicContact CB-CZ 3.71Å; M130-F456 HydrophobicContact CE-CE2 3.82Å; M130-F456 HydrophobicContact CE-CZ 3.86Å; M130-F456 HydrophobicContact SD-CE2 3.91Å; F159-F456 HydrophobicContact CE2-CE1 4.28Å; F159-F456 HydrophobicContact CZ-CD1 4.13Å; F159-F456 AromaticContact CZ-CE1 3.76Å; F159-F456 HydrophobicContact CZ-CE1 3.76Å; S453-F456 VanDerWaalsContact O-CB 3.27Å; S453-F456 WeakPolarHBondContact O-CB 3.44Å; S453-F456 PolarHBondContact O-N 2.77Å; L454-F456 PolarHBondContact O-N 3.19Å; F456-N458 PolarHBondContact O-N 2.79Å; F456-A459 PolarHBondContact O-N 3.26Å; F456-C460 VanDerWaalsContact O-CB 3.24Å; F456-C460 WeakPolarHBondContact O-CB 3.44Å; F456-C460 PolarHBondContact O-N 3.4Å
457L96.5Very high94.2Very high44 Ų4420.3 Ų20.323%0.2310%0.098CC..Hα-helixtrans-66.5-22.1171.5-60176.2000112.6Y79 V83 W417 L454 C455 S461Y79-L457 HydrophobicContact CE2-CD1 4.4Å; Y79-L457 HydrophobicContact CE2-CD2 3.92Å; Y79-L457 HydrophobicContact CE2-CG 4.47Å; Y79-L457 WeakPolarHBondContact OH-CG 3.24Å; V83-L457 HydrophobicContact CG1-CD2 4.31Å; V83-L457 HydrophobicContact CG2-CD2 3.69Å; W417-L457 HydrophobicContact CZ2-CB 4.25Å; W417-L457 PolarHBondContact NE1-O 3.18Å; L454-L457 HydrophobicContact CD2-CD1 4.01Å; L454-L457 WeakPolarHBondContact O-CB 3.01Å; L454-L457 PolarHBondContact O-N 3.16Å; C455-L457 PolarHBondContact O-N 3.43Å; L457-S461 WeakPolarHBondContact O-CB 3.42Å; L457-S461 PolarHBondContact O-N 3.15Å; L457-S461 VanDerWaalsContact O-N 3.08Å; L457-S461 PolarHBondContact O-OG 3.34Å
458N96.7Very high94.3Very high7 Ų722.3 Ų22.34%0.03712%0.117CC..Hα-helixtrans-65.1-60.2170.8-167.564000109.6Y418 C455 F456 C460 S461 N462Y418-N458 WeakPolarHBondContact CA-OD1 3.36Å; C455-N458 WeakPolarHBondContact O-CB 3.43Å; C455-N458 PolarHBondContact O-N 2.89Å; F456-N458 PolarHBondContact O-N 2.79Å; N458-C460 VanDerWaalsContact C-N 3.31Å; N458-C460 PolarHBondContact O-N 3.04Å; N458-S461 PolarHBondContact O-N 2.78Å; N458-S461 PolarHBondContact O-OG 3.01Å; N458-N462 PolarHBondContact O-N 2.93Å
459A96.6Very high94Very high2 Ų221.4 Ų21.42%0.01712%0.118CC..Hα-helixtrans-55.1-42.7178.300000112.9D119 L123 F456 S461D119-A459 HydrophobicContact CB-CB 3.71Å; L123-A459 HydrophobicContact CD1-CB 3.96Å; L123-A459 HydrophobicContact CD2-CB 4.28Å; L123-A459 HydrophobicContact CG-CB 3.94Å; F456-A459 PolarHBondContact O-N 3.26Å; A459-S461 VanDerWaalsContact C-N 3.34Å; A459-S461 PolarHBondContact O-N 2.65Å
460C96.8Very high93.5Very high10 Ų1020.7 Ų20.77%0.06812%0.12CC..Hα-helixtrans-70-25.9178-176.40000113.7V83 G87 F456 N458 W463V83-C460 HydrophobicContact CG1-CB 3.88Å; V83-C460 PolarHBondContact O-SG 3.34Å; V83-C460 VanDerWaalsContact O-SG 3.4Å; G87-C460 PolarHBondContact N-SG 3.02Å; F456-C460 VanDerWaalsContact O-CB 3.24Å; F456-C460 WeakPolarHBondContact O-CB 3.44Å; F456-C460 PolarHBondContact O-N 3.4Å; N458-C460 VanDerWaalsContact C-N 3.31Å; N458-C460 PolarHBondContact O-N 3.04Å; C460-W463 PolarHBondContact O-NE1 3.3Å
461S96.6Very high93.3Very high8 Ų829.6 Ų29.66%0.05615%0.153CC..Hα-helixtrans-88.6-22.6-177.472.90000115.4W417 L457 N458 A459 W463 I464 F465W417-S461 PolarHBondContact NE1-OG 3.02Å; L457-S461 WeakPolarHBondContact O-CB 3.42Å; L457-S461 PolarHBondContact O-N 3.15Å; L457-S461 VanDerWaalsContact O-N 3.08Å; L457-S461 PolarHBondContact O-OG 3.34Å; N458-S461 PolarHBondContact O-N 2.78Å; N458-S461 PolarHBondContact O-OG 3.01Å; A459-S461 VanDerWaalsContact C-N 3.34Å; A459-S461 PolarHBondContact O-N 2.65Å; S461-W463 VanDerWaalsContact C-N 3.29Å; S461-W463 PolarHBondContact O-N 3.08Å; S461-I464 WeakPolarHBondContact O-CA 3.32Å; S461-I464 VanDerWaalsContact O-CB 3.24Å; S461-I464 WeakPolarHBondContact O-CB 3.44Å; S461-I464 PolarHBondContact O-N 3.39Å; S461-F465 WeakPolarHBondContact O-CD2 3.39Å; S461-F465 PolarHBondContact O-N 2.98Å; S461-F465 VanDerWaalsContact O-N 3.13Å; S461-F465 WeakPolarHBondContact OG-CE2 3.33Å
462N94.7Very high92.9Very high1 Ų133.9 Ų33.91%0.00518%0.175CC..Hα-helixtrans-59.7-39.1-166.4-79.8-25.3000112.7D119 M414 N458 I464 F465 Y466D119-N462 PolarHBondContact OD2-ND2 2.95Å; M414-N462 HydrophobicContact CE-CB 4.11Å; M414-N462 WeakPolarHBondContact CE-OD1 3.18Å; N458-N462 PolarHBondContact O-N 2.93Å; N462-I464 VanDerWaalsContact C-N 3.32Å; N462-I464 PolarHBondContact O-N 3.35Å; N462-F465 PolarHBondContact O-N 2.96Å; N462-Y466 HydrophobicContact CB-CE2 4.31Å; N462-Y466 WeakPolarHBondContact O-CD2 3.21Å; N462-Y466 WeakPolarHBondContact O-CE2 3.45Å; N462-Y466 PolarHBondContact O-N 3.32Å
463W94.4Very high92.5Very high65 Ų6534 Ų3425%0.24618%0.176CC..Hα-helixtrans-64.2-33.4173.276.9-86000113.5L86 G90 C94 C460 S461 Y466 C467L86-W463 PolarHBondContact O-NE1 3.11Å; G90-W463 VanDerWaalsContact CA-CD1 3.49Å; G90-W463 VanDerWaalsContact CA-CG 3.48Å; G90-W463 WeakPolarHBondContact O-CB 3.42Å; C94-W463 HydrophobicContact CB-CB 4.17Å; C460-W463 PolarHBondContact O-NE1 3.3Å; S461-W463 VanDerWaalsContact C-N 3.29Å; S461-W463 PolarHBondContact O-N 3.08Å; W463-Y466 PolarHBondContact O-N 3.02Å; W463-C467 WeakPolarHBondContact O-CB 3.27Å; W463-C467 PolarHBondContact O-N 2.88Å; W463-C467 PolarHBondContact O-SG 2.87Å; W463-C467 VanDerWaalsContact O-SG 3.41Å
464I95.5Very high92.3Very high85 Ų8540.2 Ų40.244%0.43620%0.2SC..Hα-helixtrans-66.7-39176.4-49.1179.8000110.2S461 N462 C467 A468S461-I464 WeakPolarHBondContact O-CA 3.32Å; S461-I464 VanDerWaalsContact O-CB 3.24Å; S461-I464 WeakPolarHBondContact O-CB 3.44Å; S461-I464 PolarHBondContact O-N 3.39Å; N462-I464 VanDerWaalsContact C-N 3.32Å; N462-I464 PolarHBondContact O-N 3.35Å; I464-C467 WeakPolarHBondContact O-CB 3.26Å; I464-C467 PolarHBondContact O-N 2.79Å; I464-A468 WeakPolarHBondContact O-CB 3.49Å; I464-A468 PolarHBondContact O-N 3.3Å
465F94.8Very high92.2Very high44 Ų4442.6 Ų42.619%0.19322%0.217CC..Hα-helixtrans-65.7-43.3174.9-71.5-64.1000112.4L410 C413 M414 W417 S461 N462 C467 A468 S469L410-F465 VanDerWaalsContact CD1-C 3.41Å; L410-F465 HydrophobicContact CD1-CB 3.93Å; L410-F465 VanDerWaalsContact CD1-O 3.25Å; L410-F465 WeakPolarHBondContact CD1-O 3.45Å; C413-F465 HydrophobicContact CB-CD1 4.09Å; C413-F465 HydrophobicContact CB-CE1 4.02Å; M414-F465 HydrophobicContact CG-CB 3.85Å; M414-F465 HydrophobicContact CG-CD2 3.97Å; M414-F465 HydrophobicContact CG-CG 3.95Å; W417-F465 HydrophobicContact CB-CE2 3.63Å; W417-F465 HydrophobicContact CB-CZ 3.59Å; W417-F465 AromaticContact CD1-CE2 3.81Å; W417-F465 HydrophobicContact CD2-CE2 4.1Å; W417-F465 AromaticContact CD2-CZ 3.92Å; W417-F465 HydrophobicContact CD2-CZ 3.92Å; W417-F465 HydrophobicContact CE3-CZ 4.19Å; W417-F465 AromaticContact CG-CE2 3.54Å; W417-F465 HydrophobicContact CG-CE2 3.54Å; W417-F465 AromaticContact CG-CZ 3.66Å; W417-F465 HydrophobicContact CG-CZ 3.66Å; S461-F465 WeakPolarHBondContact O-CD2 3.39Å; S461-F465 PolarHBondContact O-N 2.98Å; S461-F465 VanDerWaalsContact O-N 3.13Å; S461-F465 WeakPolarHBondContact OG-CE2 3.33Å; N462-F465 PolarHBondContact O-N 2.96Å; F465-C467 VanDerWaalsContact C-N 3.33Å; F465-C467 PolarHBondContact O-N 2.72Å; F465-A468 PolarHBondContact O-N 3.04Å; F465-S469 WeakPolarHBondContact O-CB 3.04Å; F465-S469 PolarHBondContact O-N 3.06Å; F465-S469 PolarHBondContact O-OG 3Å
466Y91.5Very high91.8Very high5 Ų548.9 Ų48.92%0.0224%0.24CC..Hα-helixtrans-60.4-43.4174.2-53.2-45.7000111.1C94 L112 L410 M414 N462 W463 S469 G470 F473C94-Y466 WeakPolarHBondContact SG-CD2 3.44Å; C94-Y466 VanDerWaalsContact SG-CE2 3.54Å; L112-Y466 HydrophobicContact CD2-CE1 3.59Å; L112-Y466 WeakPolarHBondContact CD2-OH 3.36Å; L410-Y466 HydrophobicContact CD1-CD1 3.59Å; L410-Y466 HydrophobicContact CD1-CE1 4.21Å; L410-Y466 HydrophobicContact CD1-CG 4.5Å; L410-Y466 HydrophobicContact CD2-CD1 4.18Å; L410-Y466 HydrophobicContact CD2-CE1 4.14Å; L410-Y466 HydrophobicContact CG-CD1 4.49Å; M414-Y466 HydrophobicContact CE-CE1 3.89Å; M414-Y466 WeakPolarHBondContact CE-OH 3.28Å; M414-Y466 HydrophobicContact SD-CD1 4.44Å; M414-Y466 HydrophobicContact SD-CE1 3.67Å; N462-Y466 HydrophobicContact CB-CE2 4.31Å; N462-Y466 WeakPolarHBondContact O-CD2 3.21Å; N462-Y466 WeakPolarHBondContact O-CE2 3.45Å; N462-Y466 PolarHBondContact O-N 3.32Å; W463-Y466 PolarHBondContact O-N 3.02Å; Y466-S469 PolarHBondContact O-OG 3.04Å; Y466-G470 PolarHBondContact O-N 3.42Å; Y466-F473 VanDerWaalsContact C-CD1 3.46Å; Y466-F473 HydrophobicContact CG-CZ 4.42Å; Y466-F473 WeakPolarHBondContact O-CD1 3.18Å; Y466-F473 WeakPolarHBondContact O-CG 3.35Å
467C91.3Very high91.4Very high25 Ų2550 Ų5017%0.16925%0.246CC..Hα-helixtrans-56.8-51.7170.9-80.10000113W463 I464 F465 F473 R474W463-C467 WeakPolarHBondContact O-CB 3.27Å; W463-C467 PolarHBondContact O-N 2.88Å; W463-C467 PolarHBondContact O-SG 2.87Å; W463-C467 VanDerWaalsContact O-SG 3.41Å; I464-C467 WeakPolarHBondContact O-CB 3.26Å; I464-C467 PolarHBondContact O-N 2.79Å; F465-C467 VanDerWaalsContact C-N 3.33Å; F465-C467 PolarHBondContact O-N 2.72Å; C467-F473 HydrophobicContact CB-CE1 4.41Å; C467-R474 VanDerWaalsContact O-CD 3.24Å; C467-R474 WeakPolarHBondContact O-CD 3.27Å; C467-R474 WeakPolarHBondContact O-CG 3.15Å; C467-R474 PolarHBondContact O-NE 3.42Å
468A91.3Very high91.2Very high59 Ų5953.7 Ų53.749%0.48826%0.261SS..Hα-helixtrans-66.1-46.3-173.300000112.1I464 F465 R474I464-A468 WeakPolarHBondContact O-CB 3.49Å; I464-A468 PolarHBondContact O-N 3.3Å; F465-A468 PolarHBondContact O-N 3.04Å; A468-R474 PolarHBondContact O-NH2 2.68Å
469S85.4Confident91Very high31 Ų3157 Ų5722%0.21728%0.277CS..Hα-helixtrans-70.4-42.2-170.961.40000114H406 L410 F465 Y466H406-S469 PolarHBondContact ND1-O 3.3Å; L410-S469 WeakPolarHBondContact CD1-OG 3.03Å; F465-S469 WeakPolarHBondContact O-CB 3.04Å; F465-S469 PolarHBondContact O-N 3.06Å; F465-S469 PolarHBondContact O-OG 3Å; Y466-S469 PolarHBondContact O-OG 3.04Å
470G81.7Confident90.7Very high17 Ų1759.4 Ų59.418%0.17529%0.288CS..  trans-92.2110-169.700000113.8Y466 L472 F473 R474Y466-G470 PolarHBondContact O-N 3.42Å; G470-L472 VanDerWaalsContact C-N 3.32Å; G470-L472 PolarHBondContact O-N 2.94Å; G470-F473 WeakPolarHBondContact O-CB 3.09Å; G470-F473 PolarHBondContact O-N 3.14Å; G470-R474 PolarHBondContact O-N 3.12Å
471R87.7Confident90.3Very high198 Ų19862.1 Ų62.175%0.74730%0.304SS*.Hα-helixtrans-57.8-45.2164.8-75-179.7171.8169.2-3.8111.4S475R471-S475 WeakPolarHBondContact O-CB 3.37Å; R471-S475 PolarHBondContact O-N 2.91Å
472L84.9Confident90.2Very high91 Ų9166 Ų6648%0.47632%0.324SS..Hα-helixtrans-65.3-37.7174.5-65174.2000112.3L103 G470 S475 R476L103-L472 HydrophobicContact CD1-CB 3.78Å; L103-L472 HydrophobicContact CD1-CD1 4.42Å; G470-L472 VanDerWaalsContact C-N 3.32Å; G470-L472 PolarHBondContact O-N 2.94Å; L472-S475 PolarHBondContact O-N 3.02Å; L472-R476 WeakPolarHBondContact O-CB 3.24Å; L472-R476 VanDerWaalsContact O-CG 3.27Å; L472-R476 WeakPolarHBondContact O-CG 3.37Å; L472-R476 PolarHBondContact O-N 3.45Å
473F85.3Confident90.1Very high7 Ų772.7 Ų72.73%0.03135%0.349CS..Hα-helixtrans-62.9-51.6177.3-168.4-88.6000110.4F97 F104 Y466 C467 G470 S475 R476 I477F97-F473 AromaticContact CD1-CD2 3.78Å; F97-F473 HydrophobicContact CD1-CD2 3.78Å; F97-F473 AromaticContact CD1-CE2 3.25Å; F97-F473 HydrophobicContact CD1-CE2 3.25Å; F97-F473 AromaticContact CD1-CZ 3.89Å; F97-F473 HydrophobicContact CD1-CZ 3.89Å; F97-F473 AromaticContact CE1-CD2 3.19Å; F97-F473 HydrophobicContact CE1-CD2 3.19Å; F97-F473 AromaticContact CE1-CE2 3.22Å; F97-F473 HydrophobicContact CE1-CE2 3.22Å; F97-F473 HydrophobicContact CE1-CG 4.08Å; F97-F473 HydrophobicContact CE1-CZ 4.14Å; F97-F473 HydrophobicContact CE2-CD2 4.4Å; F97-F473 AromaticContact CG-CE2 3.99Å; F97-F473 HydrophobicContact CG-CE2 3.99Å; F97-F473 HydrophobicContact CG-CZ 4.17Å; F97-F473 AromaticContact CZ-CD2 3.56Å; F97-F473 HydrophobicContact CZ-CD2 3.56Å; F97-F473 AromaticContact CZ-CE2 3.9Å; F97-F473 HydrophobicContact CZ-CE2 3.9Å; F97-F473 AromaticContact CZ-CG 3.99Å; F97-F473 HydrophobicContact CZ-CG 3.99Å; F104-F473 HydrophobicContact CZ-CD2 4.47Å; Y466-F473 VanDerWaalsContact C-CD1 3.46Å; Y466-F473 HydrophobicContact CG-CZ 4.42Å; Y466-F473 WeakPolarHBondContact O-CD1 3.18Å; Y466-F473 WeakPolarHBondContact O-CG 3.35Å; C467-F473 HydrophobicContact CB-CE1 4.41Å; G470-F473 WeakPolarHBondContact O-CB 3.09Å; G470-F473 PolarHBondContact O-N 3.14Å; F473-S475 PolarHBondContact O-N 3.27Å; F473-R476 PolarHBondContact O-N 2.89Å; F473-I477 HydrophobicContact CD1-CD1 3.46Å; F473-I477 VanDerWaalsContact CD1-CD1 3.46Å; F473-I477 HydrophobicContact CD1-CG1 4.25Å; F473-I477 HydrophobicContact CE1-CD1 3.24Å; F473-I477 HydrophobicContact CE1-CG1 4.27Å; F473-I477 HydrophobicContact CZ-CD1 4.14Å; F473-I477 WeakPolarHBondContact O-CG1 3.18Å; F473-I477 PolarHBondContact O-N 3.26Å
474R90Very high89.9Confident132 Ų13275.8 Ų75.850%0.49836%0.364SS..Hα-helixtrans-59.1-42173.3-78-176.8-86.8153.8-11.9113.5C467 A468 G470 I477 H478C467-R474 VanDerWaalsContact O-CD 3.24Å; C467-R474 WeakPolarHBondContact O-CD 3.27Å; C467-R474 WeakPolarHBondContact O-CG 3.15Å; C467-R474 PolarHBondContact O-NE 3.42Å; A468-R474 PolarHBondContact O-NH2 2.68Å; G470-R474 PolarHBondContact O-N 3.12Å; R474-I477 PolarHBondContact O-N 3.29Å; R474-H478 WeakPolarHBondContact O-CB 3.27Å; R474-H478 PolarHBondContact O-N 3.3Å
475S91Very high89.8Confident58 Ų5876 Ų7641%0.40637%0.365SS..Hα-helixtrans-61-45.2175.5179.60000111.8R471 L472 F473 H478 Q479R471-S475 WeakPolarHBondContact O-CB 3.37Å; R471-S475 PolarHBondContact O-N 2.91Å; L472-S475 PolarHBondContact O-N 3.02Å; F473-S475 PolarHBondContact O-N 3.27Å; S475-H478 PolarHBondContact O-N 3.27Å; S475-Q479 VanDerWaalsContact O-CG 3.32Å; S475-Q479 WeakPolarHBondContact O-CG 3.35Å; S475-Q479 PolarHBondContact O-N 3.4Å
476R89.1Confident89.8Confident137 Ų13777 Ų7752%0.51738%0.376SS..Hα-helixtrans-66.5-39.6176.3-72.2-73.4179159.4-4112.6F97 L472 F473 Q479 M480F97-R476 HydrophobicContact CE2-CB 3.61Å; F97-R476 HydrophobicContact CZ-CB 3.76Å; L472-R476 WeakPolarHBondContact O-CB 3.24Å; L472-R476 VanDerWaalsContact O-CG 3.27Å; L472-R476 WeakPolarHBondContact O-CG 3.37Å; L472-R476 PolarHBondContact O-N 3.45Å; F473-R476 PolarHBondContact O-N 2.89Å; R476-Q479 PolarHBondContact O-N 2.66Å; R476-M480 VanDerWaalsContact O-CG 3.32Å; R476-M480 WeakPolarHBondContact O-CG 3.23Å; R476-M480 PolarHBondContact O-N 3.06Å
477I88.5Confident89.9Confident25 Ų2585.6 Ų85.613%0.12841%0.409CS..Hα-helixtrans-60-49.9172.2-75.9179.8000110.5F93 F97 F473 R474 Q479 M480 V481F93-I477 HydrophobicContact CE1-CD1 3.55Å; F93-I477 HydrophobicContact CE1-CG1 4.06Å; F93-I477 HydrophobicContact CZ-CB 4.37Å; F93-I477 HydrophobicContact CZ-CD1 3.71Å; F93-I477 HydrophobicContact CZ-CG1 3.7Å; F93-I477 HydrophobicContact CZ-CG2 3.93Å; F97-I477 HydrophobicContact CD2-CG1 3.76Å; F97-I477 HydrophobicContact CE2-CG1 3.72Å; F473-I477 HydrophobicContact CD1-CD1 3.46Å; F473-I477 VanDerWaalsContact CD1-CD1 3.46Å; F473-I477 HydrophobicContact CD1-CG1 4.25Å; F473-I477 HydrophobicContact CE1-CD1 3.24Å; F473-I477 HydrophobicContact CE1-CG1 4.27Å; F473-I477 HydrophobicContact CZ-CD1 4.14Å; F473-I477 WeakPolarHBondContact O-CG1 3.18Å; F473-I477 PolarHBondContact O-N 3.26Å; R474-I477 PolarHBondContact O-N 3.29Å; I477-Q479 VanDerWaalsContact C-N 3.27Å; I477-Q479 PolarHBondContact O-N 3.12Å; I477-M480 PolarHBondContact O-N 3.21Å; I477-V481 HydrophobicContact CG2-CG2 4.09Å; I477-V481 WeakPolarHBondContact O-CB 3.44Å; I477-V481 WeakPolarHBondContact O-CG2 3.29Å; I477-V481 PolarHBondContact O-N 3.38Å
478H91.4Very high89.9Confident120 Ų12088.3 Ų88.356%0.55642%0.421SS*.Hα-helixtrans-58.9-41.2179.3-168.7-112.9000111R474 S475 L482R474-H478 WeakPolarHBondContact O-CB 3.27Å; R474-H478 PolarHBondContact O-N 3.3Å; S475-H478 PolarHBondContact O-N 3.27Å; H478-L482 VanDerWaalsContact O-CB 3.22Å; H478-L482 WeakPolarHBondContact O-CB 3.24Å; H478-L482 WeakPolarHBondContact O-CG 3.37Å; H478-L482 PolarHBondContact O-N 3.05Å
479Q92.9Very high89.9Confident77 Ų7793.7 Ų93.736%0.3643%0.428SS..Hα-helixtrans-63.4-39.8172.1-70.8172.9-0.500113.4S475 R476 I477 R483S475-Q479 VanDerWaalsContact O-CG 3.32Å; S475-Q479 WeakPolarHBondContact O-CG 3.35Å; S475-Q479 PolarHBondContact O-N 3.4Å; R476-Q479 PolarHBondContact O-N 2.66Å; I477-Q479 VanDerWaalsContact C-N 3.27Å; I477-Q479 PolarHBondContact O-N 3.12Å; Q479-R483 WeakPolarHBondContact O-CB 3.32Å; Q479-R483 WeakPolarHBondContact O-CD 3.43Å; Q479-R483 WeakPolarHBondContact O-CG 3.5Å; Q479-R483 PolarHBondContact O-N 2.95Å; Q479-R483 VanDerWaalsContact O-N 3.08Å
480M89.2Confident90.1Very high53 Ų5399.7 Ų99.726%0.26145%0.451SS..Hα-helixtrans-68.4-48.2177.3-74.4174.7176.800111.8F97 L100 R476 I477 R483 F484F97-M480 HydrophobicContact CD2-CE 4.06Å; F97-M480 HydrophobicContact CD2-SD 3.64Å; F97-M480 HydrophobicContact CE2-CE 4.23Å; F97-M480 HydrophobicContact CE2-SD 4.06Å; L100-M480 HydrophobicContact CB-CE 3.68Å; L100-M480 HydrophobicContact CD1-CE 4.1Å; R476-M480 VanDerWaalsContact O-CG 3.32Å; R476-M480 WeakPolarHBondContact O-CG 3.23Å; R476-M480 PolarHBondContact O-N 3.06Å; I477-M480 PolarHBondContact O-N 3.21Å; M480-R483 PolarHBondContact O-N 2.85Å; M480-F484 WeakPolarHBondContact O-CB 3.31Å; M480-F484 PolarHBondContact O-N 3.04Å
481V89.8Confident90.4Very high66 Ų66103 Ų10340%0.447%0.471SS..Hα-helixtrans-63.3-44.2177.9174.50000110.7I477 R483 F484 M485I477-V481 HydrophobicContact CG2-CG2 4.09Å; I477-V481 WeakPolarHBondContact O-CB 3.44Å; I477-V481 WeakPolarHBondContact O-CG2 3.29Å; I477-V481 PolarHBondContact O-N 3.38Å; V481-R483 PolarHBondContact O-N 3.38Å; V481-F484 PolarHBondContact O-N 3.32Å; V481-M485 HydrophobicContact CG1-CG 4.16Å; V481-M485 WeakPolarHBondContact O-CB 3.37Å; V481-M485 VanDerWaalsContact O-CG 3.27Å; V481-M485 WeakPolarHBondContact O-CG 3.18Å; V481-M485 PolarHBondContact O-N 3.25Å
482L94.6Very high90.4Very high89 Ų89101 Ų10147%0.46647%0.469SS..Hα-helixtrans-58.3-46.4173-77.2174.3000111.8H478 F484 M485 C486H478-L482 VanDerWaalsContact O-CB 3.22Å; H478-L482 WeakPolarHBondContact O-CB 3.24Å; H478-L482 WeakPolarHBondContact O-CG 3.37Å; H478-L482 PolarHBondContact O-N 3.05Å; L482-F484 VanDerWaalsContact C-N 3.32Å; L482-F484 PolarHBondContact O-N 2.94Å; L482-M485 PolarHBondContact O-N 3.1Å; L482-C486 VanDerWaalsContact O-CB 3.3Å; L482-C486 WeakPolarHBondContact O-CB 3.38Å; L482-C486 PolarHBondContact O-N 2.91Å; L482-C486 PolarHBondContact O-SG 3.41Å
483R92.8Very high90.6Very high142 Ų142107 Ų10754%0.53649%0.486SS..Hα-helixtrans-62.5-37.9177.2-74.9169.9-178.3-167.20.3112.5Q479 M480 V481 R487Q479-R483 WeakPolarHBondContact O-CB 3.32Å; Q479-R483 WeakPolarHBondContact O-CD 3.43Å; Q479-R483 WeakPolarHBondContact O-CG 3.5Å; Q479-R483 PolarHBondContact O-N 2.95Å; Q479-R483 VanDerWaalsContact O-N 3.08Å; M480-R483 PolarHBondContact O-N 2.85Å; V481-R483 PolarHBondContact O-N 3.38Å; R483-R487 WeakPolarHBondContact O-CG 3.32Å; R483-R487 PolarHBondContact O-N 2.87Å; R483-R487 VanDerWaalsContact O-N 3.07Å
484F89.6Confident90.4Very high130 Ų130111.3 Ų111.357%0.5752%0.516SS*.Hα-helixtrans-67.6-49.9176.8-174.3-110.3000111.6M480 V481 L482 C486 R487 I488M480-F484 WeakPolarHBondContact O-CB 3.31Å; M480-F484 PolarHBondContact O-N 3.04Å; V481-F484 PolarHBondContact O-N 3.32Å; L482-F484 VanDerWaalsContact C-N 3.32Å; L482-F484 PolarHBondContact O-N 2.94Å; F484-C486 VanDerWaalsContact C-N 3.34Å; F484-C486 PolarHBondContact O-N 3.44Å; F484-R487 WeakPolarHBondContact O-CB 3.3Å; F484-R487 PolarHBondContact O-N 2.93Å; F484-R487 VanDerWaalsContact O-N 3.12Å; F484-I488 HydrophobicContact CD1-CD1 3.81Å; F484-I488 HydrophobicContact CE1-CD1 3.47Å; F484-I488 VanDerWaalsContact CE1-CD1 3.47Å; F484-I488 HydrophobicContact CE2-CD1 4.47Å; F484-I488 HydrophobicContact CG-CD1 4.46Å; F484-I488 HydrophobicContact CZ-CD1 3.84Å; F484-I488 PolarHBondContact O-N 3.01Å
485M93.2Very high89.9Confident91 Ų91107.7 Ų107.745%0.44852%0.52SS..Hα-helixtrans-63.6-36.9177.2-66.4-61.7-76.800112.5V481 L482 I488 R489V481-M485 HydrophobicContact CG1-CG 4.16Å; V481-M485 WeakPolarHBondContact O-CB 3.37Å; V481-M485 VanDerWaalsContact O-CG 3.27Å; V481-M485 WeakPolarHBondContact O-CG 3.18Å; V481-M485 PolarHBondContact O-N 3.25Å; L482-M485 PolarHBondContact O-N 3.1Å; M485-I488 PolarHBondContact O-N 3.42Å; M485-I488 HydrophobicContact SD-CD1 4.48Å; M485-R489 WeakPolarHBondContact O-CB 3.5Å; M485-R489 WeakPolarHBondContact O-CG 3.24Å; M485-R489 PolarHBondContact O-N 3.07Å
486C94.7Very high89Confident64 Ų64111.6 Ų111.643%0.43254%0.537SS..Hα-helixtrans-61.8-46.2170.9-75.40000111.5L482 F484 I488 R489 F490L482-C486 VanDerWaalsContact O-CB 3.3Å; L482-C486 WeakPolarHBondContact O-CB 3.38Å; L482-C486 PolarHBondContact O-N 2.91Å; L482-C486 PolarHBondContact O-SG 3.41Å; F484-C486 VanDerWaalsContact C-N 3.34Å; F484-C486 PolarHBondContact O-N 3.44Å; C486-I488 PolarHBondContact O-N 3.25Å; C486-R489 PolarHBondContact O-N 3.32Å; C486-F490 WeakPolarHBondContact O-CD2 3.37Å; C486-F490 PolarHBondContact O-N 3.17Å
487R92.9Very high87.8Confident185 Ų185109.9 Ų109.970%0.69855%0.546SS*.Hα-helixtrans-59.6-44.9176.7-77.7175.4173.3-163.9-4.4112.2R483 F484 R489 F490 C491R483-R487 WeakPolarHBondContact O-CG 3.32Å; R483-R487 PolarHBondContact O-N 2.87Å; R483-R487 VanDerWaalsContact O-N 3.07Å; F484-R487 WeakPolarHBondContact O-CB 3.3Å; F484-R487 PolarHBondContact O-N 2.93Å; F484-R487 VanDerWaalsContact O-N 3.12Å; R487-R489 PolarHBondContact O-N 3.11Å; R487-F490 PolarHBondContact O-N 3.27Å; R487-C491 PolarHBondContact O-N 2.92Å; R487-C491 PolarHBondContact O-SG 2.99Å
488I92.1Very high87Confident82 Ų82114.5 Ų114.542%0.42157%0.574SS.*Hα-helixtrans-59.3-46.4175.6-68.9170.7000111F484 M485 C486 F490 C491 H492F484-I488 HydrophobicContact CD1-CD1 3.81Å; F484-I488 HydrophobicContact CE1-CD1 3.47Å; F484-I488 VanDerWaalsContact CE1-CD1 3.47Å; F484-I488 HydrophobicContact CE2-CD1 4.47Å; F484-I488 HydrophobicContact CG-CD1 4.46Å; F484-I488 HydrophobicContact CZ-CD1 3.84Å; F484-I488 PolarHBondContact O-N 3.01Å; M485-I488 PolarHBondContact O-N 3.42Å; M485-I488 HydrophobicContact SD-CD1 4.48Å; C486-I488 PolarHBondContact O-N 3.25Å; I488-F490 VanDerWaalsContact C-N 3.35Å; I488-F490 PolarHBondContact O-N 3.02Å; I488-C491 PolarHBondContact O-N 2.87Å; I488-H492 PolarHBondContact O-N 3.25Å
489R92.1Very high85.7Confident172 Ų172120.1 Ų120.165%0.64959%0.591SS**Hα-helixtrans-63.1-36.6177.9-74.9178175.5-172.2-2.1113.2M485 C486 R487 R493M485-R489 WeakPolarHBondContact O-CB 3.5Å; M485-R489 WeakPolarHBondContact O-CG 3.24Å; M485-R489 PolarHBondContact O-N 3.07Å; C486-R489 PolarHBondContact O-N 3.32Å; R487-R489 PolarHBondContact O-N 3.11Å; R489-R493 PolarHBondContact O-N 3.06Å; R489-R493 VanDerWaalsContact O-N 3.09Å
490F88.9Confident84.4Confident157 Ų157123.6 Ų123.669%0.68961%0.61SS**Hα-helixtrans-66.2-40.9173.6-80.8-64.9000112.2C486 R487 I488 R493 S494C486-F490 WeakPolarHBondContact O-CD2 3.37Å; C486-F490 PolarHBondContact O-N 3.17Å; R487-F490 PolarHBondContact O-N 3.27Å; I488-F490 VanDerWaalsContact C-N 3.35Å; I488-F490 PolarHBondContact O-N 3.02Å; F490-R493 PolarHBondContact O-N 3.38Å; F490-S494 PolarHBondContact O-N 3.4Å
491C86.9Confident83.6Confident88 Ų88125 Ų12560%0.59562%0.623SS**Hα-helixtrans-61.2-47.9175.3-60.70000111.3R487 I488 R493 S494R487-C491 PolarHBondContact O-N 2.92Å; R487-C491 PolarHBondContact O-SG 2.99Å; I488-C491 PolarHBondContact O-N 2.87Å; C491-R493 VanDerWaalsContact C-N 3.32Å; C491-R493 PolarHBondContact O-N 3.46Å; C491-S494 PolarHBondContact O-N 3.45Å; C491-S494 VanDerWaalsContact O-N 3.12Å
492H88.1Confident82.8Confident154 Ų154126.4 Ų126.471%0.71363%0.634SS**Hα-helixtrans-64.4-33-179.8-163.5-45.6000113I488 S494I488-H492 PolarHBondContact O-N 3.25Å; H492-S494 VanDerWaalsContact C-N 3.28Å; H492-S494 PolarHBondContact O-N 2.96Å
493R88.9Confident81.4Confident219 Ų219128.5 Ų128.583%0.82665%0.645SS**Hα-helixtrans-72.4-21.3176.5-166.5168.4-175.6169.22.9113.1R489 F490 C491R489-R493 PolarHBondContact O-N 3.06Å; R489-R493 VanDerWaalsContact O-N 3.09Å; F490-R493 PolarHBondContact O-N 3.38Å; C491-R493 VanDerWaalsContact C-N 3.32Å; C491-R493 PolarHBondContact O-N 3.46Å
494S81.7Confident79.8Confident96 Ų96131 Ų13167%0.67166%0.656SS**THydrogen-bonded Turntrans-78.8-14.5179.6-163.90000114.3F490 C491 H492F490-S494 PolarHBondContact O-N 3.4Å; C491-S494 PolarHBondContact O-N 3.45Å; C491-S494 VanDerWaalsContact O-N 3.12Å; H492-S494 VanDerWaalsContact C-N 3.28Å; H492-S494 PolarHBondContact O-N 2.96Å
495G80.1Confident78.4Confident56 Ų56130.5 Ų130.558%0.57766%0.664SS**THydrogen-bonded Turntrans-75.3-33.5-178.900000113.8S497G495-S497 PolarHBondContact O-N 3Å
496N71.4Confident76.8Confident141 Ų141133.5 Ų133.575%0.75468%0.682SS**  trans-8759.5178.6-72.522.1000111V498N496-V498 PolarHBondContact O-N 3.39Å
497S65.1Low74.9Confident101 Ų101138.7 Ų138.771%0.70670%0.699SS**  trans-67.589.1159.959.10000108.6G495 R499G495-S497 PolarHBondContact O-N 3Å; S497-R499 PolarHBondContact O-N 2.92Å
498V70.9Confident73.1Confident121 Ų121137.5 Ų137.573%0.73370%0.7SS**  trans-46.4129.2159.8176.20000106.9N496 I500N496-V498 PolarHBondContact O-N 3.39Å; V498-I500 PolarHBondContact O-N 3.2Å
499R64.2Low71.3Confident238 Ų238142.9 Ų142.990%0.89872%0.72SS**  trans-62.499.4176.8-69.2-176.2-176.5174.71.4108.1S497 P501S497-R499 PolarHBondContact O-N 2.92Å; R499-P501 WeakPolarHBondContact O-CD 3.35Å
500I65Low69.5Low150 Ų150142 Ų14277%0.76973%0.728SS**  trans-65.7120.8167.2-57.3178.6000105.5V498V498-I500 PolarHBondContact O-N 3.2Å
501P71.8Confident67.9Low83 Ų83142.6 Ų142.654%0.53973%0.733SS.*  trans-62.8146.3177.526.3-33.4000110R499 D503R499-P501 WeakPolarHBondContact O-CD 3.35Å; P501-D503 PolarHBondContact O-N 3.5Å; P501-D503 VanDerWaalsContact O-N 3.13Å
502P73.3Confident65.9Low95 Ų95147.6 Ų147.662%0.61775%0.745SS**G310 helixtrans-67.7-15.4-167.726.1-34.3000114.9Y504 T505P502-Y504 VanDerWaalsContact C-N 3.34Å; P502-Y504 PolarHBondContact O-N 2.82Å; P502-T505 WeakPolarHBondContact O-CG2 3.3Å; P502-T505 PolarHBondContact O-OG1 3.43Å
503D66.7Low64Low133 Ų133146.7 Ų146.771%0.71175%0.75SS**G310 helixtrans-83.95.9-158.8-51.2-60.5000116.2P501P501-D503 PolarHBondContact O-N 3.5Å; P501-D503 VanDerWaalsContact O-N 3.13Å
504Y58.8Low62Low195 Ų195144 Ų14477%0.76575%0.751SS**G310 helixtrans-110.216.5179.5-89.4-87.2000114.9P502 N506P502-Y504 VanDerWaalsContact C-N 3.34Å; P502-Y504 PolarHBondContact O-N 2.82Å; Y504-N506 VanDerWaalsContact C-N 3.32Å; Y504-N506 PolarHBondContact O-N 2.73Å
505T60Low60.1Low120 Ų120146 Ų14674%0.73675%0.754SS**THydrogen-bonded Turntrans-69.7-15.7-170.2370000116.2P502P502-T505 WeakPolarHBondContact O-CG2 3.3Å; P502-T505 PolarHBondContact O-OG1 3.43Å
506N58.4Low58.3Low154 Ų154150.4 Ų150.482%0.82477%0.77SS**THydrogen-bonded Turntrans-96.5-19.8-171.1-76.2-28.6000116.5Y504Y504-N506 VanDerWaalsContact C-N 3.32Å; Y504-N506 PolarHBondContact O-N 2.73Å
507H55.8Low57.3Low172 Ų172148.8 Ų148.880%0.79677%0.77SS**SBendtrans-92.7-12.5-164.9-146.2-58.9000116.1
508F54Low56.2Low161 Ų161153.3 Ų153.371%0.70678%0.777SS**SBendtrans-95-0.7-170.5-109.6-80000116.2N510F508-N510 PolarHBondContact O-N 2.92Å
509K55.5Low55Low195 Ų195155.3 Ų155.385%0.84878%0.783SS**THydrogen-bonded Turntrans-78.7-15.9-165.8-147.7173.2-175.7179.50115.5
510N55Low54.3Low153 Ų153149.7 Ų149.782%0.81878%0.776SS**THydrogen-bonded Turntrans-110.92.6-165.9-70.13.9000116F508F508-N510 PolarHBondContact O-N 2.92Å
511Q53.7Low53.1Low170 Ų170148.8 Ų148.879%0.79478%0.781SS**SBendtrans-101.53.5-170.4-103.4-175100116.8
512F45.6Very low51.8Low193 Ų193152.7 Ų152.785%0.84679%0.791SS**SBendtrans-106.521-171.8-102.6-78000116.3
513V47.3Very low50.4Low134 Ų134154 Ų15481%0.81280%0.803SS**  trans-131.286.9179.3-174.20000111.2
514L47Very low49.3Very low162 Ų162159 Ų15985%0.84881%0.812SS**  trans-175.8158.9151.1-104.5155.6000112.7
515N42.2Very low49Very low138 Ų138156.1 Ų156.174%0.73881%0.814SS**  trans61.174.3164.4-65.3-12.9000119.8
516T41.7Very low48.4Very low149 Ų149154.1 Ų154.191%0.91481%0.805SS**  trans-94.461.315543.70000112.3
517S50.6Low47.9Very low107 Ų107152 Ų15275%0.74880%0.8SS**  trans-79.4125.717456.60000112
518K43Very low47.6Very low197 Ų197152.2 Ų152.286%0.85780%0.799SS**  trans-75.5127.3175.2-59.4166.2-176.51680110.4
519N45Very low47.5Very low162 Ų162152.9 Ų152.987%0.86680%0.802SS**  trans-177.4160.3141.3-97.2-27.5000113.1
520V49Very low47.2Very low121 Ų121149.3 Ų149.373%0.73379%0.786SS**  trans49.895.3173-168.60000116.6
521C39.9Very low46.8Very low130 Ų130150.6 Ų150.688%0.87878%0.781SS**  trans-104.996.6166-166.70000110.8
522H45.8Very low46.7Very low165 Ų165150.1 Ų150.176%0.76478%0.776SS**  trans-78129.4169.2-103.1-84.1000110.7R524H522-R524 VanDerWaalsContact C-N 3.33Å; H522-R524 PolarHBondContact O-N 2.95Å
523S43.6Very low47.1Very low122 Ų122144.4 Ų144.485%0.85376%0.76SS**  trans-6978.4178-59.60000113.2
524R44.3Very low47.2Very low239 Ų239141.9 Ų141.990%0.90274%0.74SS**PPolyproline II helixtrans-76.9127.4166.4-85.5-174.2171.4173.6-1.2110.6H522H522-R524 VanDerWaalsContact C-N 3.33Å; H522-R524 PolarHBondContact O-N 2.95Å
525V51Low47.2Very low134 Ų134137.7 Ų137.781%0.81272%0.724SS**PPolyproline II helixtrans-60138.9175.4179.50000110.3
526S47.2Very low47.7Very low78 Ų78142 Ų14255%0.54573%0.73SS.*PPolyproline II helixtrans-60.6126.3-176.159.50000112.5F528S526-F528 PolarHBondContact O-N 3.35Å
527P48.3Very low48.2Very low110 Ų110143 Ų14371%0.71472%0.721SS**THydrogen-bonded Turntrans-60.9-21.4-176.6-27.135.2000115.6F529 K530P527-F529 VanDerWaalsContact C-N 3.29Å; P527-F529 PolarHBondContact O-N 3.47Å; P527-F529 VanDerWaalsContact O-N 3.17Å; P527-K530 PolarHBondContact O-N 2.9Å
528F49.4Very low48.2Very low177 Ų177143.6 Ų143.678%0.77672%0.717SS**Hα-helixtrans-63.2-27.1-165.1-144.1-91.2000114.9S526S526-F528 PolarHBondContact O-N 3.35Å
529F53Low48.5Very low175 Ų175141.6 Ų141.677%0.76872%0.715SS**Hα-helixtrans-80.2-26.5177-111.8-81.8000113.5P527P527-F529 VanDerWaalsContact C-N 3.29Å; P527-F529 PolarHBondContact O-N 3.47Å; P527-F529 VanDerWaalsContact O-N 3.17Å
530K48.6Very low48.7Very low119 Ų119142.2 Ų142.252%0.51772%0.715SS.*Hα-helixtrans-66.1-46.4-177.5-162172.8-175.8-87.30110.4P527 F532 S533 E534P527-K530 PolarHBondContact O-N 2.9Å; K530-F532 VanDerWaalsContact C-N 3.34Å; K530-F532 PolarHBondContact O-N 2.83Å; K530-S533 PolarHBondContact O-N 3.37Å; K530-S533 PolarHBondContact O-OG 3Å; K530-E534 WeakPolarHBondContact CE-OE1 3.48Å; K530-E534 WeakPolarHBondContact CG-OE2 3.34Å; K530-E534 IonicContact NZ-OE1 2.72Å; K530-E534 PolarHBondContact NZ-OE1 2.89Å; K530-E534 IonicContact NZ-OE2 3.22Å; K530-E534 PolarHBondContact NZ-OE2 2.92Å; K530-E534 WeakPolarHBondContact O-CB 3.31Å; K530-E534 PolarHBondContact O-N 3.32Å
531Y46.1Very low48.4Very low180 Ų180139.9 Ų139.971%0.70672%0.715SS**Hα-helixtrans-51.3-46.3-178.4-137.1-91.7000113.4S533 E534 S535Y531-S533 PolarHBondContact O-N 2.99Å; Y531-E534 PolarHBondContact O-N 3.4Å; Y531-S535 PolarHBondContact O-N 3.28Å; Y531-S535 PolarHBondContact O-OG 3.42Å
532F52Low48.6Very low160 Ų160140.9 Ų140.970%0.70271%0.711SS**Hα-helixtrans-73.4-22178.9-100.8-81.4000114.7K530K530-F532 VanDerWaalsContact C-N 3.34Å; K530-F532 PolarHBondContact O-N 2.83Å
533S53.5Low48.7Very low73 Ų73140.7 Ų140.751%0.5172%0.716SS.*Hα-helixtrans-83.6-28.3172.8700000112.8K530 Y531K530-S533 PolarHBondContact O-N 3.37Å; K530-S533 PolarHBondContact O-OG 3Å; Y531-S533 PolarHBondContact O-N 2.99Å
534E49.6Very low48.8Very low81 Ų81142.5 Ų142.538%0.37971%0.708SS.*Hα-helixtrans-90.3-39.2-171-150.8146.7-124.700111.5K530 Y531 R536 K537 N538K530-E534 WeakPolarHBondContact CE-OE1 3.48Å; K530-E534 WeakPolarHBondContact CG-OE2 3.34Å; K530-E534 IonicContact NZ-OE1 2.72Å; K530-E534 PolarHBondContact NZ-OE1 2.89Å; K530-E534 IonicContact NZ-OE2 3.22Å; K530-E534 PolarHBondContact NZ-OE2 2.92Å; K530-E534 WeakPolarHBondContact O-CB 3.31Å; K530-E534 PolarHBondContact O-N 3.32Å; Y531-E534 PolarHBondContact O-N 3.4Å; E534-R536 PolarHBondContact O-N 2.81Å; E534-K537 PolarHBondContact O-N 2.03Å; E534-N538 PolarHBondContact O-N 2.7Å; E534-N538 PolarHBondContact O-OD1 3.03Å
535S47.9Very low49.1Very low75 Ų75137.4 Ų137.452%0.52470%0.699SS.*THydrogen-bonded Turntrans-59.8-12.6168-63.20000114.1Y531Y531-S535 PolarHBondContact O-N 3.28Å; Y531-S535 PolarHBondContact O-OG 3.42Å
536R52Low49Very low229 Ų229140 Ų14086%0.86470%0.702SS**THydrogen-bonded Turntrans-95.20.3174.6-134.6-180-166.9-171.23114.4E534E534-R536 PolarHBondContact O-N 2.81Å
537K53.1Low48.9Very low168 Ų168140 Ų14073%0.7372%0.715SS**THydrogen-bonded Turntrans-108.2-24.2173.9-74.3-169.8170-169.80113.7E534 N539E534-K537 PolarHBondContact O-N 2.03Å; K537-N539 PolarHBondContact O-N 2.89Å
538N50.6Low48.9Very low121 Ų121137.9 Ų137.965%0.64771%0.712SS**THydrogen-bonded Turntrans-82.8-9-170.5-66.311.7000115E534E534-N538 PolarHBondContact O-N 2.7Å; E534-N538 PolarHBondContact O-OD1 3.03Å
539N48.6Very low48.8Very low155 Ų155136.8 Ų136.883%0.82972%0.715SS**THydrogen-bonded Turntrans-100.526-179.4-74.329.7000113.5K537K537-N539 PolarHBondContact O-N 2.89Å
540M48.8Very low48.3Very low174 Ų174136.9 Ų136.986%0.85772%0.715SS**  trans-142.518-177.8-142.8169.8-173.600114.3
541G42.3Very low48.2Very low72 Ų72136.2 Ų136.274%0.74272%0.721SS**  trans-93.7117.4170.500000110.8
542L45.1Very low48.1Very low151 Ų151133.5 Ų133.579%0.79172%0.719SS**  trans-65.5145.7169.1-70.984.2000109.7
543N47.8Very low47.7Very low162 Ų162132.3 Ų132.387%0.86672%0.72SS**  trans-121.6106.5152.6-161.513.7000109
544K45.3Very low47.1Very low159 Ų159135.9 Ų135.969%0.69173%0.73SS**  trans-89.5131.7167.6-66.5-179.5174-176.70107.6
545N50.8Low46.7Very low133 Ų133139 Ų13971%0.71175%0.746SS**  166.7144.7119.2-82.1-15.6000112.8
546H48.5Very low46.2Very low187 Ų187143.5 Ų143.587%0.86676%0.759SS**  trans32.2135.3155-57.5-51000122.5
547G46Very low45.6Very low79 Ų79141.3 Ų141.381%0.81476%0.758SS**  trans-170.2-3.4154.500000122.1
548G48.1Very low44.9Very low65 Ų65138.1 Ų138.167%0.6776%0.757SS**  trans82131161.200000119.9
549N47.1Very low44.3Very low154 Ų154139.1 Ų139.182%0.82476%0.761SS**  trans63.5150.8153.6-59.1-21.2000117.9
550K43.3Very low43.7Very low177 Ų177139.9 Ų139.977%0.7776%0.76SS**  cis-168.8159.7-13.2-105.1-174.1167.8-170.60103.5
551T45.6Very low43.1Very low106 Ų106140 Ų14065%0.6576%0.756SS**  cis-167159.4-1.824.40000103.4
552N44.4Very low43.1Very low123 Ų123144.5 Ų144.566%0.65876%0.761SS**  cis-170.8-178.94.3-110.920.3000105.1
553D43.6Very low42.7Very low134 Ų134143.2 Ų143.272%0.71776%0.755SS**  trans64142.9153.6-52.4-23.8000120.9
554M40Very low42.4Very low148 Ų148143.8 Ų143.873%0.72975%0.753SS**  cis-159148.7-33.8-129.6176.176.900111.5
555M41.5Very low42.2Very low146 Ų146146.6 Ų146.672%0.71977%0.765SS**  trans57.2128152.6-78.2-165.7168.200124.6
556H38.8Very low41.6Very low171 Ų171143.6 Ų143.679%0.79277%0.765SS**  trans90.7147.5135.7-96.5-88.5000123.8
557Q39.3Very low41.3Very low182 Ų182138.5 Ų138.585%0.8576%0.763SS**  trans-125.2145.1175.1-60.1176.2-64.500109.7
558S36.7Very low41Very low101 Ų101143.3 Ų143.371%0.70676%0.764SS**  trans-176.3177.8153.652.50000109.7
559I39.1Very low40.5Very low143 Ų143145.6 Ų145.673%0.73377%0.765SS**  trans70.9141.9166.3-56.5165.9000114.8
560E36.5Very low40.4Very low170 Ų170146 Ų14679%0.79477%0.766SS**  cis166.3-178.2-35.9-100.8179.4124.900106.4
561F35.1Very low40.2Very low177 Ų177145 Ų14578%0.77677%0.769SS**  trans-45.2140175.4-89.2-111.9000115.2
562I41.9Very low39.9Very low166 Ų166144.9 Ų144.985%0.85177%0.773SS**  trans-131.1113.6141.3-65.6-175.5000107.3
563D37.9Very low39.7Very low124 Ų124143.9 Ų143.966%0.66378%0.776SS**  trans-89.6178.4163.6-117.2-50.9000109.6
564E40.3Very low39.4Very low175 Ų175147.7 Ų147.782%0.81879%0.786SS**  trans62113.6173.3-59.9-161.6107.400118.4
565F41.7Very low39.5Very low218 Ų218148.5 Ų148.596%0.95679%0.788SS**  trans-136105.1134.9-126-84.2000108.8
566G37.1Very low39.3Very low69 Ų69147.4 Ų147.471%0.71179%0.79SS**  trans-74.5144.4-17500000113.6
567G42.9Very low39.6Very low80 Ų80146.1 Ų146.183%0.82579%0.794SS**  trans-121.4108.3170.200000110.3
568H39.8Very low39.7Very low180 Ų180146.9 Ų146.983%0.83379%0.794SS**  trans-74.7138.6-171.7-109.5-116.2000113.9
569V38.4Very low40Very low113 Ų113151.7 Ų151.769%0.68580%0.802SS**  trans38118.4134.8-179.10000118.5
570L44.7Very low40.2Very low163 Ų163154.2 Ų154.285%0.85381%0.811SS**  -157.1112.1124.3-112.2169.5000111.7
571N38.9Very low40.6Very low156 Ų156154.9 Ų154.983%0.83481%0.811SS**  trans-88.3137.9164.2-84.7-24.6000109.3
572S39.9Very low40.9Very low104 Ų104151 Ų15173%0.72780%0.802SS**  trans-178.4144.1137.531.10000112.9
573S39Very low41.1Very low102 Ų102149.8 Ų149.871%0.71380%0.797SS**  trans32.9119.4150.261.50000120.3
574F38.8Very low41.5Very low214 Ų214150.9 Ų150.994%0.93980%0.802SS**  -139.3108119.5-134.8-81000110.4
575E40.9Very low41.4Very low165 Ų165147.5 Ų147.577%0.77180%0.798SS**  trans-100.6171.3-176.7-139.7-179.2177.600112.1
576T37.5Very low41.5Very low122 Ų122142 Ų14275%0.74879%0.786SS**  trans-42.5130.1-176.4480000117
577V44.8Very low41.8Very low145 Ų145145.3 Ų145.388%0.87979%0.792SS**  trans-133.6121145.8-178.40000109.5
578K41.6Very low41.8Very low197 Ų197147.3 Ų147.386%0.85779%0.789SS**  trans-158.493179.7-163.3-176.8-167.9-179.20110.7
579K43.1Very low42Very low203 Ų203150.6 Ų150.688%0.88379%0.794SS**  trans163.3114.4158.3-95.8162.2-176.7-178.40113
580Q43.1Very low42Very low195 Ų195152.2 Ų152.291%0.91180%0.799SS**  trans168.9114.2146.6-100.5172.5-16.100104.6
581K45.8Very low42.1Very low185 Ų185152.7 Ų152.780%0.80480%0.801SS**  cis79.891.524.7-145.1-138.7174.8-164.70114.5
582T41.6Very low42Very low96 Ų96149.9 Ų149.959%0.58979%0.793SS**  trans43.5118.9147.158.90000119.5
583D45.6Very low41.9Very low139 Ų139153.4 Ų153.474%0.74380%0.796SS**  -166.5130.4103.3-80.8-21.5000107.7
584I45.5Very low41.9Very low148 Ų148155 Ų15576%0.75979%0.793SS**  83.9132.168.1-70175.7000113.8
585S39.9Very low42.1Very low104 Ų104151.8 Ų151.873%0.72778%0.781SS**  trans89.3126.616977.80000120.1
586S43.2Very low42.1Very low103 Ų103150 Ų15072%0.7278%0.777SS**  trans27.6142.4141.263.90000121.5
587T43Very low42.3Very low137 Ų137151.4 Ų151.484%0.8479%0.785SS**  cis-152.6164.64813.20000114.6
588T42.9Very low42Very low123 Ų123150.4 Ų150.476%0.75579%0.785SS**  trans-79.9156.7174.640.10000114.1
589R43.4Very low42.1Very low249 Ų249144.6 Ų144.694%0.9478%0.781SS**  trans-167.8134136.5-107.7168.5-159.11717.6112.4
590D39.3Very low41.8Very low147 Ų147142.2 Ų142.279%0.78678%0.778SS**  trans-88.2150.2178.8-46-97.3000112.3
591I47.3Very low41.6Very low173 Ų173143.9 Ų143.989%0.88778%0.777SS**  trans-137135146.4-61.6-175000107.8
592S35.6Very low41.2Very low97 Ų97139.8 Ų139.868%0.67877%0.772SS**  trans-130.3160174.663.60000110.4
593F38.3Very low40.7Very low178 Ų178142.9 Ų142.978%0.78179%0.785SS**  trans173.5124.7147-107.8-132.7000107.4
594M39.4Very low40.2Very low134 Ų134141.5 Ų141.566%0.6679%0.786SS**  72149.887.6-69.7-169131.400114.4
595H41.8Very low39.5Very low147 Ų147140.5 Ų140.568%0.68179%0.791SS**  cis-144.217015.6-150.6-84.9000113.7
596N41.5Very low39.2Very low127 Ų127145.6 Ų145.668%0.67980%0.8SS**  trans-68161.8-175.7-55.5-37.3000116
597T40.7Very low38.9Very low152 Ų152146 Ų14693%0.93380%0.801SS**  -156.8152.1125.75.90000111
598S40Very low38.4Very low125 Ų125147 Ų14787%0.87480%0.8SS**  trans-120.2158.4-167.2530000113.5
599G44.2Very low38.2Very low74 Ų74144.5 Ų144.576%0.76380%0.798SS**  trans-171.4107.6174.700000112.4
600N35.7Very low38Very low153 Ų153142.6 Ų142.682%0.81879%0.792SS**  trans-79.9149.9175.3-64.5-33.9000110.9
601Y38.7Very low38.3Very low230 Ų230143.5 Ų143.590%0.90279%0.792SS**  trans-168.5132.2132.2-97.4-61.5000113.5
602S36.8Very low38Very low99 Ų99136.5 Ų136.569%0.69276%0.758SS**  trans-0.9124.116556.10000122.9
603N32.5Very low38.8Very low161 Ų161138.8 Ų138.886%0.86176%0.756SS**  trans11.3117.6136.6-62.9-18000120
604S34.9Very low39.5Very low110 Ų110132.5 Ų132.577%0.76973%0.734SS**  trans-171.414313139.10000114.7
605C31Very low40.1Very low127 Ų127131 Ų13186%0.85873%0.728SS**  trans30.997.6156.7-63.70000121.1
606F32.9Very low40.7Very low212 Ų212128.8 Ų128.893%0.9372%0.721SS**  trans-86.3129159.3-96.1-84.4000112.8
607P36.1Very low40.7Very low112 Ų112130.2 Ų130.273%0.72772%0.721SS**  trans-87.3142.8171.233.7-32.8000112.5G609P607-G609 PolarHBondContact O-N 3.01Å
608L33.4Very low40.8Very low158 Ų158128.5 Ų128.583%0.82771%0.713SS**  trans-69.596.3175.9-83.1156.5000111.8
609G38.9Very low40.7Very low69 Ų69128.3 Ų128.371%0.71171%0.71SS**  trans-77.9122.6174.700000113P607 Q611P607-G609 PolarHBondContact O-N 3.01Å; G609-Q611 PolarHBondContact O-N 3.23Å
610Y40Very low40.4Very low210 Ų210129.9 Ų129.982%0.82471%0.709SS**  trans-81.9111.6-179.7-56.8-80000112
611Q44.6Very low40.5Very low165 Ų165130 Ų13077%0.77171%0.709SS**  trans-86.9146.3169-65.9-174.3-4.600111.6G609G609-Q611 PolarHBondContact O-N 3.23Å
612C40.1Very low40.5Very low27 Ų27127.3 Ų127.318%0.18270%0.702CS.*  trans-95.5147.9173.9-172.80000110.1C614 N615C612-C614 HydrophobicContact CB-CB 4.42Å; C612-C614 PolarHBondContact O-N 2.92Å; C612-C614 VanDerWaalsContact O-N 3.11Å; C612-N615 WeakPolarHBondContact O-CB 3.35Å; C612-N615 PolarHBondContact O-N 3.39Å
613F54.1Low40.9Very low144 Ų144128.3 Ų128.363%0.63270%0.704SS**G310 helixtrans-58.5-23.6173.2-107-82.3000113.2N615 L616F613-N615 PolarHBondContact O-N 3.09Å; F613-L616 HydrophobicContact CD1-CD1 4.13Å; F613-L616 HydrophobicContact CE1-CD1 4.41Å; F613-L616 HydrophobicContact CG-CD1 4.38Å; F613-L616 PolarHBondContact O-N 3.18Å
614C51.2Low41.3Very low46 Ų46129.8 Ų129.831%0.31170%0.703SS.*G310 helixtrans-56.7-15.8169.7-63.50000113.7C612 C664 C669C612-C614 HydrophobicContact CB-CB 4.42Å; C612-C614 PolarHBondContact O-N 2.92Å; C612-C614 VanDerWaalsContact O-N 3.11Å; C614-C664 WeakPolarHBondContact CB-SG 3.28Å; C614-C664 WeakPolarHBondContact SG-CB 3.15Å; C614-C664 CovalentContact SG-SG 2.06Å; C614-C664 PolarHBondContact SG-SG 3.22Å; C614-C669 PolarHBondContact SG-SG 3.38Å
615N53.2Low42Very low103 Ų103129.2 Ų129.255%0.55170%0.699SS**G310 helixtrans-97.9-12179.8-68.730.1000114.1C612 F613 F617C612-N615 WeakPolarHBondContact O-CB 3.35Å; C612-N615 PolarHBondContact O-N 3.39Å; F613-N615 PolarHBondContact O-N 3.09Å; N615-F617 VanDerWaalsContact C-N 3.33Å
616L53.8Low42.8Very low100 Ų100132.4 Ų132.452%0.52470%0.699SS.*SBendtrans-78.9-15.2-179.2-85.7102.2000113.8F613F613-L616 HydrophobicContact CD1-CD1 4.13Å; F613-L616 HydrophobicContact CE1-CD1 4.41Å; F613-L616 HydrophobicContact CG-CD1 4.38Å; F613-L616 PolarHBondContact O-N 3.18Å
617F42.8Very low43.6Very low157 Ų157127.5 Ų127.569%0.68969%0.688SS**SBendtrans-129.992.5179.5-68-79.6000110.3N615 C619N615-F617 VanDerWaalsContact C-N 3.33Å; F617-C619 PolarHBondContact O-N 3.41Å
618P40.9Very low44.4Very low116 Ų116128.4 Ų128.475%0.75369%0.691SS**  trans-72.492.1174.529.4-33.5000110.1S620P618-S620 VanDerWaalsContact C-N 3.3Å; P618-S620 PolarHBondContact O-N 2.82Å
619C37.7Very low45Very low121 Ų121128.2 Ų128.282%0.81869%0.691SS**  trans-66.885.3172.7-67.70000110.9F617 L621F617-C619 PolarHBondContact O-N 3.41Å; C619-L621 VanDerWaalsContact C-N 3.27Å; C619-L621 PolarHBondContact O-N 3.27Å
620S39.2Very low45.6Very low107 Ų107130.4 Ų130.475%0.74870%0.696SS**  trans-71.678.717661.20000111.1P618 K622P618-S620 VanDerWaalsContact C-N 3.3Å; P618-S620 PolarHBondContact O-N 2.82Å; S620-K622 VanDerWaalsContact C-N 3.31Å; S620-K622 PolarHBondContact O-N 3.26Å
621L38.2Very low45.8Very low156 Ų156127.9 Ų127.982%0.81770%0.696SS**  trans-69.785.8175.6-162.785.3000109.9C619 V623C619-L621 VanDerWaalsContact C-N 3.27Å; C619-L621 PolarHBondContact O-N 3.27Å; L621-V623 PolarHBondContact O-N 3.41Å
622K38.9Very low45.9Very low174 Ų174128.8 Ų128.876%0.75770%0.698SS**  trans-62.5103.5170.9-84.7-173.8173.3-179.30109.1S620 F624S620-K622 VanDerWaalsContact C-N 3.31Å; S620-K622 PolarHBondContact O-N 3.26Å; K622-F624 PolarHBondContact O-N 3.42Å; K622-F624 VanDerWaalsContact O-N 3.07Å
623V43.6Very low46.3Very low120 Ų120134.8 Ų134.873%0.72773%0.728SS**  trans-68.5102.7168.4177.70000107.7L621 S625L621-V623 PolarHBondContact O-N 3.41Å; V623-S625 VanDerWaalsContact C-N 3.27Å; V623-S625 PolarHBondContact O-N 2.94Å
624F41.2Very low45.8Very low191 Ų191135.7 Ų135.784%0.83874%0.739SS**  trans-72.382.5170.3-92.8-89.3000109.9K622 K626K622-F624 PolarHBondContact O-N 3.42Å; K622-F624 VanDerWaalsContact O-N 3.07Å; F624-K626 PolarHBondContact O-N 3.48Å
625S50.2Low45.6Very low99 Ų99138.2 Ų138.269%0.69276%0.757SS**  trans-69.9105.3163.253.30000108.7V623 P627V623-S625 VanDerWaalsContact C-N 3.27Å; V623-S625 PolarHBondContact O-N 2.94Å; S625-P627 WeakPolarHBondContact O-CD 3.23Å
626K46.9Very low45.2Very low194 Ų194139.1 Ų139.184%0.84377%0.766SS**  trans-59.6115.9178.6-169.6-179.2-173.6-176.20109.6F624F624-K626 PolarHBondContact O-N 3.48Å
627P51.4Low45Very low109 Ų109144.2 Ų144.271%0.70878%0.784SS**PPolyproline II helixtrans-71.7142.3173.830.9-33.4000109.6S625S625-P627 WeakPolarHBondContact O-CD 3.23Å
628T52.1Low45.3Very low130 Ų130141.7 Ų141.780%0.79878%0.783SS**PPolyproline II helixtrans-103.1126.6168.546.90000108.8
629D46.9Very low45.4Very low155 Ų155146.7 Ų146.783%0.82979%0.789SS**PPolyproline II helixtrans-69.7130.1-175.8-59-77.3000113.3
630S50.2Low46.3Very low115 Ų115145.5 Ų145.580%0.80478%0.78SS**  trans-158.3113153.4-34.50000111.8
631N45.4Very low46.5Very low156 Ų156146.6 Ų146.683%0.83478%0.777SS**  trans18.8104.8154.9-64.5-21.5000121.1
632K46.5Very low47.1Very low184 Ų184145.9 Ų145.980%0.878%0.779SS**  31.8147.3117.8-63.6179.9177.7176.70121.1
633N48.2Very low47.5Very low154 Ų154145.4 Ų145.482%0.82478%0.777SS**  trans86.8141.7171.8-49.1-23.6000113.8
634L43.7Very low47.7Very low162 Ų162148.9 Ų148.985%0.84878%0.782SS**  cis-148.3164.36.7-159.469.4000113.4
635S46.7Very low47.9Very low100 Ų100147.8 Ų147.870%0.69978%0.784SS**  trans-26122.7175.6-175.90000122.3
636V45.4Very low47.8Very low121 Ų121151.1 Ų151.173%0.73379%0.789SS**  21.8129.5118.2-178.10000120.6
637K49Very low47.9Very low207 Ų207149.2 Ų149.290%0.978%0.781SS**  -166.6145.5129.6-108171-175.7178.50113
638P49.8Very low47.9Very low104 Ų104150.3 Ų150.368%0.67578%0.78SS**  trans-129.1179.6-17243.8-31.4000118
639Y41.6Very low47.4Very low221 Ų221147 Ų14787%0.86777%0.772SS**  trans95163.3146.1-92.6-37.3000121.7
640P57.6Low47.3Very low97 Ų97145.6 Ų145.663%0.6378%0.775SS**  -137.4-177.1-12548.4-31.9000117.6
641N43.8Very low47Very low129 Ų129143.6 Ų143.669%0.6977%0.772SS**  trans-172.2172.3134.5-105.2-83.6000107.7
642V50.2Low47Very low142 Ų142143.9 Ų143.986%0.86177%0.774SS**  cis-149.3175.247167.50000110.6
643K48.2Very low47Very low164 Ų164142.8 Ų142.871%0.71377%0.771SS**  trans-111.7167.6-163.2-58.5168.6177.2168.30115.3
644K45.9Very low46.7Very low192 Ų192144.6 Ų144.684%0.83577%0.772SS**  trans71.7122.4154.2-71.6175.3174.5-1770119.5
645L46.4Very low46.8Very low169 Ų169144.9 Ų144.989%0.88577%0.766SS**  -149.4147.6101.9-133.979.1000111.2
646Q48.6Very low46.5Very low169 Ų169148.2 Ų148.279%0.7977%0.77SS**  trans-100.5179.7161-64.1173.2-72.600107
647K47.5Very low46Very low154 Ų154148.1 Ų148.167%0.6777%0.77SS**  cis-165.9165.722.2-155.9177.8154.5-91.20110.3
648D51.8Low45.4Very low131 Ų131145.5 Ų145.570%0.70177%0.765SS**  trans65.7148164.4-51.2-48.8000117
649G42.1Very low44.8Very low61 Ų61148 Ų14863%0.62977%0.772SS**  cis-174.4-172.6-2.800000111.6
650S45.5Very low44.8Very low126 Ų126140 Ų14088%0.88176%0.756SS**  trans68141.5-174.880.60000116.1
651G43Very low44.1Very low73 Ų73138.4 Ų138.475%0.75375%0.747SS**  trans-102.7149.9-171.600000113.9
652N46.3Very low44.5Very low162 Ų162139.1 Ų139.187%0.86675%0.75SS**  trans-133.2140.9163.6-94.1-73.9000109.4K654N652-K654 PolarHBondContact O-N 3.39Å
653E46.9Very low44.3Very low160 Ų160135 Ų13575%0.74874%0.737SS**  trans-58.1131.4178.9-62.6179.5115.500111.1K655E653-K655 PolarHBondContact O-N 2.99Å
654K40.6Very low44.3Very low192 Ų192128.3 Ų128.384%0.83571%0.711SS**  trans-70.280.8164.8-75.1-176.5178.3176.40109.5N652 H656N652-K654 PolarHBondContact O-N 3.39Å; K654-H656 PolarHBondContact O-CD2 3.18Å; K654-H656 PolarHBondContact O-N 3.26Å
655K46.1Very low44.3Very low168 Ų168128 Ų12873%0.7371%0.71SS**  trans-57.2102.7166.6-77174.9178.5165.50108.1E653 V657E653-K655 PolarHBondContact O-N 2.99Å; K655-V657 VanDerWaalsContact C-N 3.3Å; K655-V657 PolarHBondContact O-N 3.26Å
656H39.5Very low44.7Very low170 Ų170124 Ų12479%0.78769%0.692SS**  trans-62.894.8171.3-86.4-102.2000108.6K654 L658K654-H656 PolarHBondContact O-CD2 3.18Å; K654-H656 PolarHBondContact O-N 3.26Å; H656-L658 VanDerWaalsContact C-N 3.3Å; H656-L658 PolarHBondContact O-N 3.45Å
657V35.4Very low44.8Very low119 Ų119116.9 Ų116.972%0.72167%0.665SS**  trans-6694.9168.4-1800000106.7K655 L659K655-V657 VanDerWaalsContact C-N 3.3Å; K655-V657 PolarHBondContact O-N 3.26Å; V657-L659 PolarHBondContact O-N 3.46Å
658L35.9Very low44.9Very low152 Ų152113 Ų11380%0.79665%0.648SS**  trans-56.8113.4163.7-100.778.4000107H656 G660H656-L658 VanDerWaalsContact C-N 3.3Å; H656-L658 PolarHBondContact O-N 3.45Å; L658-G660 PolarHBondContact O-N 2.88Å
659L39.1Very low44.9Very low157 Ų157109.3 Ų109.382%0.82263%0.632SS**  trans-62102.5165.5-87.972.5000107.2V657V657-L659 PolarHBondContact O-N 3.46Å
660G41Very low45.3Very low52 Ų52108.7 Ų108.754%0.53662%0.617SS.*  trans-56.2140.2169.600000109.4L658 N662L658-G660 PolarHBondContact O-N 2.88Å; G660-N662 PolarHBondContact O-N 2.95Å
661C43.3Very low46.4Very low64 Ų64111.2 Ų111.243%0.43261%0.608SS.*  trans-70.994.7-174.1-172.80000111.4G663 C664C661-G663 PolarHBondContact O-N 3.28Å; C661-C664 PolarHBondContact O-N 3.49Å; C661-C664 PolarHBondContact SG-SG 2.9Å
662N50.3Low47.5Very low144 Ų144114.6 Ų114.677%0.7760%0.598SS**THydrogen-bonded Turntrans-58.4-15.3173.3-69.7-21.6000113G660 F665G660-N662 PolarHBondContact O-N 2.95Å; N662-F665 VanDerWaalsContact O-CD2 3.27Å; N662-F665 WeakPolarHBondContact O-CD2 3.44Å; N662-F665 WeakPolarHBondContact O-CE2 3.16Å
663G47.4Very low48.3Very low57 Ų57109.4 Ų109.459%0.58857%0.568SS**THydrogen-bonded Turntrans-79.3-25.8177.200000115.2C661 F665C661-G663 PolarHBondContact O-N 3.28Å; G663-F665 PolarHBondContact O-N 3.42Å
664C46.9Very low49.1Very low22 Ų22106.9 Ų106.915%0.14955%0.551CS.*  trans-80.349.1-176-46.80000112.3C614 C661 T666 G667C614-C664 WeakPolarHBondContact CB-SG 3.28Å; C614-C664 WeakPolarHBondContact SG-CB 3.15Å; C614-C664 CovalentContact SG-SG 2.06Å; C614-C664 PolarHBondContact SG-SG 3.22Å; C661-C664 PolarHBondContact O-N 3.49Å; C661-C664 PolarHBondContact SG-SG 2.9Å; C664-T666 PolarHBondContact O-N 3.28Å; C664-G667 PolarHBondContact O-N 2.91Å
665F46.7Very low50.2Low187 Ų187103 Ų10382%0.8253%0.531SS*.THydrogen-bonded Turntrans-49.4-18.3-165.5-100.8-86.5000118.1N662 G663N662-F665 VanDerWaalsContact O-CD2 3.27Å; N662-F665 WeakPolarHBondContact O-CD2 3.44Å; N662-F665 WeakPolarHBondContact O-CE2 3.16Å; G663-F665 PolarHBondContact O-N 3.42Å
666T54.8Low51.1Low83 Ų83100.9 Ų100.951%0.50952%0.52SS..THydrogen-bonded Turntrans-111.1-15.7-178.157.30000113.8C664 F668C664-T666 PolarHBondContact O-N 3.28Å; T666-F668 HydrophobicContact CG2-CD2 3.99Å; T666-F668 HydrophobicContact CG2-CE2 4.07Å; T666-F668 PolarHBondContact O-N 3.45Å; T666-F668 VanDerWaalsContact OG1-CD2 3.24Å; T666-F668 WeakPolarHBondContact OG1-CD2 3.37Å; T666-F668 PolarHBondContact OG1-N 2.98Å
667G50.6Low52.1Low21 Ų2193.6 Ų93.622%0.21649%0.49CS..SBendtrans71.5-5.8-169.600000115.7C664 C669 C670 F673C664-G667 PolarHBondContact O-N 2.91Å; G667-C669 PolarHBondContact O-N 2.93Å; G667-C669 VanDerWaalsContact O-N 3.17Å; G667-C670 WeakPolarHBondContact O-CB 3.28Å; G667-C670 PolarHBondContact O-N 3.31Å; G667-F673 WeakPolarHBondContact O-CB 3.26Å
668F50.4Low52.9Low72 Ų7292.9 Ų92.932%0.31648%0.482SS..THydrogen-bonded Turntrans-60.3-29.8-174.8-70-50.2000114.2V96 T666 C670 F673 W674V96-F668 HydrophobicContact CB-CE1 4.45Å; V96-F668 HydrophobicContact CB-CZ 4.28Å; V96-F668 HydrophobicContact CG1-CE1 4.1Å; V96-F668 HydrophobicContact CG1-CZ 3.68Å; V96-F668 HydrophobicContact CG2-CD1 4.48Å; V96-F668 HydrophobicContact CG2-CE1 3.63Å; V96-F668 HydrophobicContact CG2-CE2 4.31Å; V96-F668 HydrophobicContact CG2-CZ 3.54Å; T666-F668 HydrophobicContact CG2-CD2 3.99Å; T666-F668 HydrophobicContact CG2-CE2 4.07Å; T666-F668 PolarHBondContact O-N 3.45Å; T666-F668 VanDerWaalsContact OG1-CD2 3.24Å; T666-F668 WeakPolarHBondContact OG1-CD2 3.37Å; T666-F668 PolarHBondContact OG1-N 2.98Å; F668-C670 VanDerWaalsContact C-N 3.32Å; F668-F673 AromaticContact CD1-CD1 3.83Å; F668-F673 HydrophobicContact CD1-CD1 3.83Å; F668-F673 AromaticContact CD1-CE1 3.45Å; F668-F673 HydrophobicContact CD1-CE1 3.45Å; F668-F673 VanDerWaalsContact CD1-CE1 3.45Å; F668-F673 HydrophobicContact CD1-CE2 4.49Å; F668-F673 AromaticContact CD1-CZ 3.83Å; F668-F673 HydrophobicContact CD1-CZ 3.83Å; F668-F673 HydrophobicContact CE1-CD1 4.33Å; F668-F673 AromaticContact CE1-CE1 3.51Å; F668-F673 HydrophobicContact CE1-CE1 3.51Å; F668-F673 HydrophobicContact CE1-CE2 4.33Å; F668-F673 AromaticContact CE1-CZ 3.5Å; F668-F673 HydrophobicContact CE1-CZ 3.5Å; F668-W674 PolarHBondContact O-NE1 3.4Å
669C50.3Low54.1Low53 Ų5389.1 Ų89.136%0.35846%0.461SS..THydrogen-bonded Turntrans-80.1-5.7176.440.60000114.1C614 G667C614-C669 PolarHBondContact SG-SG 3.38Å; G667-C669 PolarHBondContact O-N 2.93Å; G667-C669 VanDerWaalsContact O-N 3.17Å
670C52.4Low54.7Low49 Ų4983.2 Ų83.233%0.33144%0.435SS..SBendtrans-85.6120.9166.1-83.10000109.8G667 F668 R672 F673G667-C670 WeakPolarHBondContact O-CB 3.28Å; G667-C670 PolarHBondContact O-N 3.31Å; F668-C670 VanDerWaalsContact C-N 3.32Å; C670-R672 HydrophobicContact CB-CB 4.35Å; C670-R672 PolarHBondContact O-N 2.88Å; C670-F673 WeakPolarHBondContact O-CB 3.25Å; C670-F673 PolarHBondContact O-N 3.31Å
671W67Low54.7Low179 Ų17981.5 Ų81.568%0.67842%0.418SS*.Hα-helixtrans-49.8-34.2168.3119.5-94.2000111.7F673 W674 W675W671-F673 VanDerWaalsContact C-N 3.27Å; W671-F673 PolarHBondContact O-N 2.87Å; W671-W674 PolarHBondContact O-N 3.47Å; W671-W674 VanDerWaalsContact O-N 3.12Å; W671-W675 HydrophobicContact CD2-CB 4.36Å; W671-W675 HydrophobicContact CE3-CB 4.18Å; W671-W675 HydrophobicContact CH2-CB 4.12Å; W671-W675 AromaticContact CH2-CD2 3.46Å; W671-W675 HydrophobicContact CH2-CD2 3.46Å; W671-W675 VanDerWaalsContact CH2-CD2 3.46Å; W671-W675 AromaticContact CH2-CE3 3.24Å; W671-W675 HydrophobicContact CH2-CE3 3.24Å; W671-W675 AromaticContact CH2-CG 3.88Å; W671-W675 HydrophobicContact CH2-CG 3.88Å; W671-W675 HydrophobicContact CH2-CH2 4.36Å; W671-W675 AromaticContact CH2-CZ3 3.74Å; W671-W675 HydrophobicContact CH2-CZ3 3.74Å; W671-W675 HydrophobicContact CZ2-CB 4.27Å; W671-W675 HydrophobicContact CZ2-CD2 4Å; W671-W675 HydrophobicContact CZ2-CE3 4.23Å; W671-W675 HydrophobicContact CZ2-CG 4.05Å; W671-W675 HydrophobicContact CZ3-CB 4.07Å; W671-W675 AromaticContact CZ3-CD2 3.97Å; W671-W675 HydrophobicContact CZ3-CD2 3.97Å; W671-W675 AromaticContact CZ3-CE3 3.46Å; W671-W675 HydrophobicContact CZ3-CE3 3.46Å; W671-W675 VanDerWaalsContact CZ3-CE3 3.46Å; W671-W675 HydrophobicContact CZ3-CG 4.27Å; W671-W675 HydrophobicContact CZ3-CZ3 4.13Å; W671-W675 PolarHBondContact O-N 2.84Å
672R66Low54.9Low143 Ų14382.1 Ų82.154%0.5442%0.422SS..Hα-helixtrans-55.8-34.2174.5-126.3-179.6162151.1-5.4113.5C670 Y676C670-R672 HydrophobicContact CB-CB 4.35Å; C670-R672 PolarHBondContact O-N 2.88Å; R672-Y676 HydrophobicContact CB-CD2 4.37Å; R672-Y676 HydrophobicContact CB-CE2 4.26Å; R672-Y676 HydrophobicContact CG-CD2 4.1Å; R672-Y676 HydrophobicContact CG-CE2 3.57Å; R672-Y676 PolarHBondContact NE-OH 2.91Å; R672-Y676 VanDerWaalsContact NE-OH 3.07Å; R672-Y676 PolarHBondContact NH2-OH 3.46Å; R672-Y676 VanDerWaalsContact O-CB 3.27Å; R672-Y676 WeakPolarHBondContact O-CB 2.98Å; R672-Y676 WeakPolarHBondContact O-CD2 3.4Å; R672-Y676 VanDerWaalsContact O-CG 3.29Å; R672-Y676 PolarHBondContact O-N 2.88Å
673F64.7Low54.6Low54 Ų5481 Ų8124%0.23742%0.415CS..Hα-helixtrans-65.5-46.6175.1176.7-86.8000111.2L100 G667 F668 C670 W671 Y676 G677L100-F673 HydrophobicContact CD2-CZ 4.44Å; G667-F673 WeakPolarHBondContact O-CB 3.26Å; F668-F673 AromaticContact CD1-CD1 3.83Å; F668-F673 HydrophobicContact CD1-CD1 3.83Å; F668-F673 AromaticContact CD1-CE1 3.45Å; F668-F673 HydrophobicContact CD1-CE1 3.45Å; F668-F673 VanDerWaalsContact CD1-CE1 3.45Å; F668-F673 HydrophobicContact CD1-CE2 4.49Å; F668-F673 AromaticContact CD1-CZ 3.83Å; F668-F673 HydrophobicContact CD1-CZ 3.83Å; F668-F673 HydrophobicContact CE1-CD1 4.33Å; F668-F673 AromaticContact CE1-CE1 3.51Å; F668-F673 HydrophobicContact CE1-CE1 3.51Å; F668-F673 HydrophobicContact CE1-CE2 4.33Å; F668-F673 AromaticContact CE1-CZ 3.5Å; F668-F673 HydrophobicContact CE1-CZ 3.5Å; C670-F673 WeakPolarHBondContact O-CB 3.25Å; C670-F673 PolarHBondContact O-N 3.31Å; W671-F673 VanDerWaalsContact C-N 3.27Å; W671-F673 PolarHBondContact O-N 2.87Å; F673-Y676 PolarHBondContact O-N 3.17Å; F673-G677 PolarHBondContact O-N 3.01Å
674W62.2Low54.5Low106 Ų10687.1 Ų87.140%0.40243%0.425SS..Hα-helixtrans-64.8-45.2177.3-65.584.2000111.5F99 F668 W671 Y676 G677 L678F99-W674 HydrophobicContact CD2-CE3 4.46Å; F99-W674 HydrophobicContact CD2-CZ3 4.29Å; F99-W674 AromaticContact CE2-CE3 3.76Å; F99-W674 HydrophobicContact CE2-CE3 3.76Å; F99-W674 AromaticContact CE2-CZ3 3.52Å; F99-W674 HydrophobicContact CE2-CZ3 3.52Å; F99-W674 HydrophobicContact CZ-CE3 4.01Å; F99-W674 HydrophobicContact CZ-CZ3 4.12Å; F668-W674 PolarHBondContact O-NE1 3.4Å; W671-W674 PolarHBondContact O-N 3.47Å; W671-W674 VanDerWaalsContact O-N 3.12Å; W674-Y676 PolarHBondContact O-N 2.88Å; W674-G677 PolarHBondContact O-N 3.07Å; W674-L678 WeakPolarHBondContact O-CB 3.14Å; W674-L678 PolarHBondContact O-N 3.46Å
675W64.6Low54.3Low110 Ų11097.3 Ų97.342%0.41746%0.46SS..Hα-helixtrans-60.4-43.3174.8-171.2-109.5000112.3W671 L678 M679W671-W675 HydrophobicContact CD2-CB 4.36Å; W671-W675 HydrophobicContact CE3-CB 4.18Å; W671-W675 HydrophobicContact CH2-CB 4.12Å; W671-W675 AromaticContact CH2-CD2 3.46Å; W671-W675 HydrophobicContact CH2-CD2 3.46Å; W671-W675 VanDerWaalsContact CH2-CD2 3.46Å; W671-W675 AromaticContact CH2-CE3 3.24Å; W671-W675 HydrophobicContact CH2-CE3 3.24Å; W671-W675 AromaticContact CH2-CG 3.88Å; W671-W675 HydrophobicContact CH2-CG 3.88Å; W671-W675 HydrophobicContact CH2-CH2 4.36Å; W671-W675 AromaticContact CH2-CZ3 3.74Å; W671-W675 HydrophobicContact CH2-CZ3 3.74Å; W671-W675 HydrophobicContact CZ2-CB 4.27Å; W671-W675 HydrophobicContact CZ2-CD2 4Å; W671-W675 HydrophobicContact CZ2-CE3 4.23Å; W671-W675 HydrophobicContact CZ2-CG 4.05Å; W671-W675 HydrophobicContact CZ3-CB 4.07Å; W671-W675 AromaticContact CZ3-CD2 3.97Å; W671-W675 HydrophobicContact CZ3-CD2 3.97Å; W671-W675 AromaticContact CZ3-CE3 3.46Å; W671-W675 HydrophobicContact CZ3-CE3 3.46Å; W671-W675 VanDerWaalsContact CZ3-CE3 3.46Å; W671-W675 HydrophobicContact CZ3-CG 4.27Å; W671-W675 HydrophobicContact CZ3-CZ3 4.13Å; W671-W675 PolarHBondContact O-N 2.84Å; W675-L678 PolarHBondContact O-N 2.99Å; W675-M679 HydrophobicContact CD2-CG 4.39Å; W675-M679 HydrophobicContact CH2-CE 3.91Å; W675-M679 HydrophobicContact CZ2-CE 3.34Å; W675-M679 VanDerWaalsContact O-CB 3.25Å; W675-M679 WeakPolarHBondContact O-CB 3.37Å; W675-M679 WeakPolarHBondContact O-CG 3.43Å; W675-M679 PolarHBondContact O-N 3.17Å
676Y65Low54.3Low124 Ų12495.4 Ų95.449%0.48646%0.457SS..Hα-helixtrans-71.1-31.4174.7-72.6-47.8000113R672 F673 W674 L678 A680R672-Y676 HydrophobicContact CB-CD2 4.37Å; R672-Y676 HydrophobicContact CB-CE2 4.26Å; R672-Y676 HydrophobicContact CG-CD2 4.1Å; R672-Y676 HydrophobicContact CG-CE2 3.57Å; R672-Y676 PolarHBondContact NE-OH 2.91Å; R672-Y676 VanDerWaalsContact NE-OH 3.07Å; R672-Y676 PolarHBondContact NH2-OH 3.46Å; R672-Y676 VanDerWaalsContact O-CB 3.27Å; R672-Y676 WeakPolarHBondContact O-CB 2.98Å; R672-Y676 WeakPolarHBondContact O-CD2 3.4Å; R672-Y676 VanDerWaalsContact O-CG 3.29Å; R672-Y676 PolarHBondContact O-N 2.88Å; F673-Y676 PolarHBondContact O-N 3.17Å; W674-Y676 PolarHBondContact O-N 2.88Å; Y676-L678 VanDerWaalsContact C-N 3.34Å; Y676-A680 WeakPolarHBondContact O-CA 3.39Å; Y676-A680 WeakPolarHBondContact O-CB 3.31Å; Y676-A680 PolarHBondContact O-N 3.25Å
677G59.4Low54Low17 Ų1795.9 Ų95.918%0.17546%0.461CS..Hα-helixtrans-61.6-43.1171.300000111.9F673 W674F673-G677 PolarHBondContact O-N 3.01Å; W674-G677 PolarHBondContact O-N 3.07Å
678L53.5Low53.5Low104 Ų104102.1 Ų102.155%0.54549%0.49SS..Hα-helixtrans-69.4-49.5176.8-154.8160.8000111.2W674 W675 Y676 A680 G681W674-L678 WeakPolarHBondContact O-CB 3.14Å; W674-L678 PolarHBondContact O-N 3.46Å; W675-L678 PolarHBondContact O-N 2.99Å; Y676-L678 VanDerWaalsContact C-N 3.34Å; L678-A680 PolarHBondContact O-N 2.85Å; L678-G681 PolarHBondContact O-N 2.72Å
679M60.5Low53.1Low74 Ų74104 Ų10437%0.36551%0.508SS..Hα-helixtrans-71.2-23179.2-74.7-69.7-172.900114.4W675 G681 C682 I683W675-M679 HydrophobicContact CD2-CG 4.39Å; W675-M679 HydrophobicContact CH2-CE 3.91Å; W675-M679 HydrophobicContact CZ2-CE 3.34Å; W675-M679 VanDerWaalsContact O-CB 3.25Å; W675-M679 WeakPolarHBondContact O-CB 3.37Å; W675-M679 WeakPolarHBondContact O-CG 3.43Å; W675-M679 PolarHBondContact O-N 3.17Å; M679-G681 PolarHBondContact O-N 3.24Å; M679-C682 CarbonylContact O-C 3.58Å; M679-C682 WeakPolarHBondContact O-CA 3.48Å; M679-C682 WeakPolarHBondContact O-CB 3.42Å; M679-C682 PolarHBondContact O-N 3.38Å; M679-C682 HydrophobicContact SD-CB 4.1Å; M679-I683 PolarHBondContact O-N 3.48Å
680A51Low52.6Low32 Ų32108.2 Ų108.226%0.26453%0.525SS..Hα-helixtrans-68.7-14174.400000112.8R102 Y676 L678R102-A680 PolarHBondContact NE-O 3.3Å; R102-A680 PolarHBondContact NH2-O 3.37Å; Y676-A680 WeakPolarHBondContact O-CA 3.39Å; Y676-A680 WeakPolarHBondContact O-CB 3.31Å; Y676-A680 PolarHBondContact O-N 3.25Å; L678-A680 PolarHBondContact O-N 2.85Å
681G42.4Very low52.3Low17 Ų17114.1 Ų114.118%0.17555%0.548CS..Hα-helixtrans-72.3-50.5159.400000111.5Q106 L678 M679 I683Q106-G681 PolarHBondContact NE2-O 3.47Å; L678-G681 PolarHBondContact O-N 2.72Å; M679-G681 PolarHBondContact O-N 3.24Å; G681-I683 PolarHBondContact O-N 2.93Å
682C47.5Very low51.1Low77 Ų77110.7 Ų110.752%0.5255%0.547SS..Hα-helixtrans-65.9-1.4-175.5-60.30000116.2M679 K684M679-C682 CarbonylContact O-C 3.58Å; M679-C682 WeakPolarHBondContact O-CA 3.48Å; M679-C682 WeakPolarHBondContact O-CB 3.42Å; M679-C682 PolarHBondContact O-N 3.38Å; M679-C682 HydrophobicContact SD-CB 4.1Å; C682-K684 VanDerWaalsContact C-N 3.32Å; C682-K684 PolarHBondContact O-N 2.94Å
683I43.2Very low50.2Low120 Ų120109.5 Ų109.562%0.61556%0.555SS**  trans-65.493.9170.7-58.2-175.6000109.4M679 G681M679-I683 PolarHBondContact O-N 3.48Å; G681-I683 PolarHBondContact O-N 2.93Å
684K45.5Very low49.3Very low186 Ų186112.9 Ų112.981%0.80958%0.581SS**  trans-50.9135.1172.6-152178.9-173.2-174.20108.9C682 I686C682-K684 VanDerWaalsContact C-N 3.32Å; C682-K684 PolarHBondContact O-N 2.94Å; K684-I686 PolarHBondContact O-N 2.67Å
685R43.5Very low48.5Very low236 Ų236114.9 Ų114.989%0.89160%0.599SS**  trans-60.8112.6165-78.3-175.2-179.7167.9-0.9107.5
686I46.6Very low47.7Very low147 Ų147114.2 Ų114.275%0.75461%0.611SS**  trans-62.9124.8156.2-58.1174.3000105.2K684K684-I686 PolarHBondContact O-N 2.67Å
687P48.3Very low46.7Very low92 Ų92114.9 Ų114.960%0.59762%0.623SS**  trans-69.6133.3172.929.5-32.4000108.7T689P687-T689 PolarHBondContact O-N 3.41Å
688N40Very low46.1Very low153 Ų153122.6 Ų122.682%0.81865%0.654SS**  trans-75.774.5170-70.521.9000109.2I690N688-I690 PolarHBondContact O-N 3.47Å
689T42.5Very low45.5Very low112 Ų112124.4 Ų124.469%0.68767%0.665SS**  trans-75.597163.838.80000108P687 E691P687-T689 PolarHBondContact O-N 3.41Å; T689-E691 PolarHBondContact O-N 3.18Å
690I40Very low44.7Very low140 Ų140131.8 Ų131.872%0.71869%0.69SS**  trans-80.9103.4167.8-56.9174000106.2N688 T692N688-I690 PolarHBondContact O-N 3.47Å; I690-T692 HydrophobicContact CG2-CG2 3.97Å; I690-T692 PolarHBondContact O-N 3.02Å
691E44.5Very low43.9Very low173 Ų173135.7 Ų135.781%0.80872%0.716SS**  trans-7899.1168.8-70.517916000108.2T689 V693T689-E691 PolarHBondContact O-N 3.18Å; E691-V693 PolarHBondContact O-N 2.76Å
692T42.5Very low43.6Very low108 Ų108141 Ų14166%0.66374%0.744SS**  trans-81.589.9169.352.70000108.8I690 T694I690-T692 HydrophobicContact CG2-CG2 3.97Å; I690-T692 PolarHBondContact O-N 3.02Å; T692-T694 PolarHBondContact O-N 3.33Å
693V47.7Very low43Very low118 Ų118146.3 Ų146.372%0.71576%0.761SS**  trans-66115.1162.3-179.60000107.2E691E691-V693 PolarHBondContact O-N 2.76Å
694T45.6Very low42.5Very low125 Ų125146.3 Ų146.377%0.76777%0.767SS**  trans-106.280.2175.653.40000109.2T692T692-T694 PolarHBondContact O-N 3.33Å
695D46Very low41.9Very low148 Ų148145.4 Ų145.479%0.79177%0.77SS**  trans-83.2156.7157.8-77.8-51.6000109.8
696S46.9Very low41.5Very low95 Ų95140.2 Ų140.266%0.66477%0.765SS**  trans-85.1163.4-170.863.40000113.5
697D44.9Very low40.7Very low139 Ų139136.6 Ų136.674%0.74376%0.764SS**  trans77.1123.1159-52.3-53000119.3
698Q46.4Very low39.9Very low178 Ų178140.3 Ų140.383%0.83278%0.777SS**  trans68.789159.7-53.4-168.624.700119.5
699N40.6Very low39.4Very low143 Ų143138.4 Ų138.477%0.76578%0.776SS**  46.9131.3126.6-64.5-24.5000121.8
700Y43.1Very low38.9Very low228 Ų228139.3 Ų139.389%0.89478%0.781SS**  trans71.999.6168.2-59.6-77.3000117.8
701S34.1Very low38.4Very low115 Ų115138.3 Ų138.380%0.80479%0.787SS**  trans-122.5125.6153.457.40000110.7
702V36.4Very low37.7Very low127 Ų127135.6 Ų135.677%0.7779%0.787SS**  trans-96.1115.5177.8177.10000108.8V704V702-V704 HydrophobicContact CG1-CG2 4.33Å; V702-V704 PolarHBondContact O-N 2.7Å; V702-V704 VanDerWaalsContact O-N 3.12Å
703Q35Very low37.4Very low189 Ų189135.2 Ų135.288%0.88379%0.788SS**  trans-78.596.5176.4-72.8-168.7-8.400111.7
704V33.7Very low37.2Very low120 Ų120135.5 Ų135.573%0.72779%0.79SS**  trans-85.7106.6163.8-179.50000108.6V702V702-V704 HydrophobicContact CG1-CG2 4.33Å; V702-V704 PolarHBondContact O-N 2.7Å; V702-V704 VanDerWaalsContact O-N 3.12Å
705L31.6Very low37Very low167 Ų167135.2 Ų135.287%0.87478%0.776SS**  trans-105.493.8176.7-168.671.1000110.9G707L705-G707 PolarHBondContact O-N 2.95Å
706T36Very low37Very low128 Ų128133.4 Ų133.479%0.78577%0.766SS**  trans-64.9120.1170.649.20000110.4
707G29.2Very low37Very low71 Ų71132.8 Ų132.873%0.73276%0.762SS**  trans-86.6151.8-173.400000115L705L705-G707 PolarHBondContact O-N 2.95Å
708I31.3Very low37.4Very low169 Ų169130.8 Ų130.887%0.86776%0.757SS**  trans-119.9122.2156.6-60.6179.6000107.3
709S29Very low37.7Very low114 Ų114125.9 Ų125.980%0.79774%0.737SS**  trans-96.6101.1-161.241.90000114.1S711S709-S711 PolarHBondContact O-N 2.92Å
710T31.9Very low38.7Very low131 Ų131123.2 Ų123.280%0.80472%0.722SS**  trans-96.980.4168.660.20000111.5S712T710-S712 PolarHBondContact O-N 3.38Å
711S30.3Very low39.4Very low119 Ų119119 Ų11983%0.83271%0.711SS**  trans-80.592.3-169.4590000114.7S709S709-S711 PolarHBondContact O-N 2.92Å
712S30.7Very low40.9Very low116 Ų116118.9 Ų118.981%0.81169%0.693SS**  trans-148.718.6164.472.90000117.1T710T710-S712 PolarHBondContact O-N 3.38Å
713S35.8Very low42Very low100 Ų100118.4 Ų118.470%0.69968%0.677SS**  trans-107.673.1179.260.30000113.7Y715S713-Y715 PolarHBondContact O-N 3Å; S713-Y715 VanDerWaalsContact O-N 3.16Å
714V42.9Very low43.4Very low123 Ų123115.3 Ų115.375%0.74566%0.662SS**  trans-77.895163-176.80000108.3
715Y40.4Very low44.9Very low119 Ų119112.5 Ų112.547%0.46765%0.648SS.*  trans-77.6153.2156.4-84.3-78000109.2S713 R723S713-Y715 PolarHBondContact O-N 3Å; S713-Y715 VanDerWaalsContact O-N 3.16Å; Y715-R723 PolarHBondContact OH-NH1 3.39Å
716D46.2Very low46.5Very low110 Ų110108.3 Ų108.359%0.58862%0.623SS**  trans-67.2139.7167.7-161.9-32.5000108.8C718 D719 L720D716-C718 PolarHBondContact O-N 2.9Å; D716-D719 HydrophobicContact CB-CB 4.3Å; D716-D719 PolarHBondContact O-N 3.38Å; D716-L720 PolarHBondContact O-N 2.73Å
717S47.8Very low47.7Very low82 Ų82109 Ų10957%0.57362%0.616SS**Hα-helixtrans-60.2-38-174.6-167.80000111.1D719 L720 H721S717-D719 VanDerWaalsContact C-N 3.35Å; S717-D719 PolarHBondContact O-N 3.03Å; S717-L720 PolarHBondContact O-N 2.97Å; S717-H721 WeakPolarHBondContact O-CB 3.36Å; S717-H721 PolarHBondContact O-N 2.93Å
718C54.2Low49.2Very low97 Ų97108.1 Ų108.166%0.65560%0.602SS**Hα-helixtrans-62.1-39.4175.6-63.90000112.8D716 R722D716-C718 PolarHBondContact O-N 2.9Å; C718-R722 WeakPolarHBondContact O-CB 3.19Å; C718-R722 PolarHBondContact O-N 3.27Å
719D52.2Low50.5Low76 Ų76105.2 Ų105.241%0.40659%0.587SS.*Hα-helixtrans-73.2-34.1-180-126.822.3000111.2D716 S717 R723D716-D719 HydrophobicContact CB-CB 4.3Å; D716-D719 PolarHBondContact O-N 3.38Å; S717-D719 VanDerWaalsContact C-N 3.35Å; S717-D719 PolarHBondContact O-N 3.03Å; D719-R723 VanDerWaalsContact O-CG 3.32Å; D719-R723 WeakPolarHBondContact O-CG 3.42Å; D719-R723 PolarHBondContact O-N 3.29Å; D719-R723 VanDerWaalsContact O-N 3.09Å
720L60.3Low51.9Low86 Ų86104.7 Ų104.745%0.4558%0.576SS.*Hα-helixtrans-67.1-50.2171.9-16971.9000110.8D716 S717 R722 R723 H724D716-L720 PolarHBondContact O-N 2.73Å; S717-L720 PolarHBondContact O-N 2.97Å; L720-R722 VanDerWaalsContact C-N 3.31Å; L720-R722 PolarHBondContact O-N 3.26Å; L720-R723 PolarHBondContact O-N 3.08Å; L720-R723 VanDerWaalsContact O-N 3.11Å; L720-H724 PolarHBondContact O-CD2 3.27Å; L720-H724 PolarHBondContact O-N 3.48Å
721H58.4Low52.9Low141 Ų141103.2 Ų103.265%0.65356%0.563SS**Hα-helixtrans-61.7-40.5-179.6-132.4-33.5000111.9S717 H724 S725S717-H721 WeakPolarHBondContact O-CB 3.36Å; S717-H721 PolarHBondContact O-N 2.93Å; H721-H724 PolarHBondContact O-N 3.01Å; H721-S725 PolarHBondContact O-N 3.36Å; H721-S725 PolarHBondContact O-OG 3.42Å
722R66Low54Low112 Ų112103.1 Ų103.142%0.42355%0.552SS.*Hα-helixtrans-60.8-42.8172.8178-178.8169.1155.66.2112.3C718 L720 H724 S725 E726C718-R722 WeakPolarHBondContact O-CB 3.19Å; C718-R722 PolarHBondContact O-N 3.27Å; L720-R722 VanDerWaalsContact C-N 3.31Å; L720-R722 PolarHBondContact O-N 3.26Å; R722-H724 VanDerWaalsContact C-N 3.32Å; R722-H724 PolarHBondContact O-N 3.36Å; R722-S725 PolarHBondContact O-N 3.36Å; R722-S725 PolarHBondContact O-OG 3.44Å; R722-E726 HydrophobicContact CG-CG 4.45Å; R722-E726 IonicContact CZ-OE1 2.67Å; R722-E726 VanDerWaalsContact CZ-OE1 3.23Å; R722-E726 IonicContact NE-OE1 3.75Å; R722-E726 PolarHBondContact NE-OE1 2.83Å; R722-E726 IonicContact NH2-OE1 2.63Å; R722-E726 PolarHBondContact NH2-OE1 3.48Å; R722-E726 WeakPolarHBondContact O-CB 3.23Å; R722-E726 WeakPolarHBondContact O-CG 3.28Å; R722-E726 PolarHBondContact O-N 2.91Å
723R58.5Low55Low117 Ų117102.2 Ų102.244%0.44254%0.539SS..Hα-helixtrans-66.1-35.6175.9-76.6176.3-177.4-161.90.8112.3Y715 D719 L720 F727Y715-R723 PolarHBondContact OH-NH1 3.39Å; D719-R723 VanDerWaalsContact O-CG 3.32Å; D719-R723 WeakPolarHBondContact O-CG 3.42Å; D719-R723 PolarHBondContact O-N 3.29Å; D719-R723 VanDerWaalsContact O-N 3.09Å; L720-R723 PolarHBondContact O-N 3.08Å; L720-R723 VanDerWaalsContact O-N 3.11Å; R723-F727 WeakPolarHBondContact O-CB 3.36Å; R723-F727 PolarHBondContact O-N 2.8Å
724H64.5Low55.5Low124 Ų124103.8 Ų103.857%0.57453%0.53SS*.Hα-helixtrans-67.1-38.6173.5-85.5-89.5000112.7L720 H721 R722 F727 A728L720-H724 PolarHBondContact O-CD2 3.27Å; L720-H724 PolarHBondContact O-N 3.48Å; H721-H724 PolarHBondContact O-N 3.01Å; R722-H724 VanDerWaalsContact C-N 3.32Å; R722-H724 PolarHBondContact O-N 3.36Å; H724-F727 PolarHBondContact O-N 2.92Å; H724-A728 WeakPolarHBondContact O-CB 3.37Å; H724-A728 PolarHBondContact O-N 3.28Å
725S65.6Low55.5Low60 Ų60106.2 Ų106.242%0.4253%0.53SS..Hα-helixtrans-72.3-37.9174.861.70000112.7H721 R722 F727 A728 L729H721-S725 PolarHBondContact O-N 3.36Å; H721-S725 PolarHBondContact O-OG 3.42Å; R722-S725 PolarHBondContact O-N 3.36Å; R722-S725 PolarHBondContact O-OG 3.44Å; S725-F727 VanDerWaalsContact C-N 3.31Å; S725-F727 PolarHBondContact O-N 3.49Å; S725-A728 PolarHBondContact O-N 3.45Å; S725-L729 WeakPolarHBondContact O-CB 3.45Å; S725-L729 PolarHBondContact O-N 3.19Å
726E65.7Low55.7Low79 Ų79110.1 Ų110.137%0.36955%0.546SS..Hα-helixtrans-62.2-35.9169.6-73.7177-179.600111.5R722 N730R722-E726 HydrophobicContact CG-CG 4.45Å; R722-E726 IonicContact CZ-OE1 2.67Å; R722-E726 VanDerWaalsContact CZ-OE1 3.23Å; R722-E726 IonicContact NE-OE1 3.75Å; R722-E726 PolarHBondContact NE-OE1 2.83Å; R722-E726 IonicContact NH2-OE1 2.63Å; R722-E726 PolarHBondContact NH2-OE1 3.48Å; R722-E726 WeakPolarHBondContact O-CB 3.23Å; R722-E726 WeakPolarHBondContact O-CG 3.28Å; R722-E726 PolarHBondContact O-N 2.91Å; E726-N730 VanDerWaalsContact O-CB 3.3Å; E726-N730 WeakPolarHBondContact O-CB 3.42Å; E726-N730 VanDerWaalsContact O-CG 3.23Å; E726-N730 PolarHBondContact O-N 3.3Å; E726-N730 PolarHBondContact O-ND2 2.83Å
727F60.9Low55.7Low144 Ų144109 Ų10963%0.63255%0.546SS*.Hα-helixtrans-69.6-40.5172.4-118.8-85.4000113R723 H724 S725 N730 N731R723-F727 WeakPolarHBondContact O-CB 3.36Å; R723-F727 PolarHBondContact O-N 2.8Å; H724-F727 PolarHBondContact O-N 2.92Å; S725-F727 VanDerWaalsContact C-N 3.31Å; S725-F727 PolarHBondContact O-N 3.49Å; F727-N730 PolarHBondContact O-N 2.87Å; F727-N731 WeakPolarHBondContact O-CB 3.21Å; F727-N731 PolarHBondContact O-N 3.32Å
728A60.3Low55.5Low52 Ų52109.6 Ų109.643%0.4355%0.546SS..Hα-helixtrans-64.1-45.3178.100000111.8H724 S725 N731 L732H724-A728 WeakPolarHBondContact O-CB 3.37Å; H724-A728 PolarHBondContact O-N 3.28Å; S725-A728 PolarHBondContact O-N 3.45Å; A728-N731 PolarHBondContact O-N 3.09Å; A728-L732 PolarHBondContact O-N 3.05Å
729L59.1Low55Low108 Ų108113.5 Ų113.557%0.56555%0.554SS**Hα-helixtrans-62.8-40.3173.7-86.3157.4000112.3S725 L732 N733S725-L729 WeakPolarHBondContact O-CB 3.45Å; S725-L729 PolarHBondContact O-N 3.19Å; L729-L732 PolarHBondContact O-N 2.95Å; L729-N733 PolarHBondContact O-N 3.05Å; L729-N733 VanDerWaalsContact O-N 3.08Å; L729-N733 PolarHBondContact O-ND2 2.9Å
730N57.6Low54.6Low103 Ų103119.8 Ų119.855%0.55157%0.573SS**Hα-helixtrans-69.2-37176-76.1-41.6000112.5E726 F727 N733 Y734E726-N730 VanDerWaalsContact O-CB 3.3Å; E726-N730 WeakPolarHBondContact O-CB 3.42Å; E726-N730 VanDerWaalsContact O-CG 3.23Å; E726-N730 PolarHBondContact O-N 3.3Å; E726-N730 PolarHBondContact O-ND2 2.83Å; F727-N730 PolarHBondContact O-N 2.87Å; N730-N733 PolarHBondContact O-N 2.94Å; N730-Y734 VanDerWaalsContact O-CB 3.29Å; N730-Y734 WeakPolarHBondContact O-CB 3.45Å; N730-Y734 PolarHBondContact O-N 3.15Å
731N54.3Low53.8Low100 Ų100123.4 Ų123.454%0.53558%0.581SS.*Hα-helixtrans-66.2-37.6173.9-84.7-3.9000112.4F727 A728 Y734 K735F727-N731 WeakPolarHBondContact O-CB 3.21Å; F727-N731 PolarHBondContact O-N 3.32Å; A728-N731 PolarHBondContact O-N 3.09Å; N731-Y734 PolarHBondContact O-N 3.2Å; N731-K735 PolarHBondContact O-N 3.06Å; N731-K735 VanDerWaalsContact O-N 3.12Å
732L52Low53.2Low116 Ų116121.8 Ų121.861%0.60759%0.586SS**Hα-helixtrans-61.2-47.2172.6-79.6163000111.4A728 L729 K735A728-L732 PolarHBondContact O-N 3.05Å; L729-L732 PolarHBondContact O-N 2.95Å; L732-K735 PolarHBondContact O-N 2.86Å
733N51.3Low52.3Low98 Ų98121.1 Ų121.152%0.52459%0.594SS.*Hα-helixtrans-67.2-34.8175.2-76.1-35.4000113.1L729 N730 K735 Y736 C737L729-N733 PolarHBondContact O-N 3.05Å; L729-N733 VanDerWaalsContact O-N 3.08Å; L729-N733 PolarHBondContact O-ND2 2.9Å; N730-N733 PolarHBondContact O-N 2.94Å; N733-K735 VanDerWaalsContact C-N 3.27Å; N733-K735 PolarHBondContact O-N 3.38Å; N733-Y736 PolarHBondContact O-N 3.43Å; N733-Y736 VanDerWaalsContact O-N 3.14Å; N733-C737 PolarHBondContact O-N 3.39Å; N733-C737 VanDerWaalsContact O-N 3.12Å; N733-C737 PolarHBondContact O-SG 3.25Å; N733-C737 VanDerWaalsContact O-SG 3.39Å
734Y46.7Very low51.9Low133 Ų133121.4 Ų121.452%0.52260%0.6SS.*Hα-helixtrans-62.7-35.9177.6-159.7-99.4000111.4N730 N731 Y736 C737 T738 R741N730-Y734 VanDerWaalsContact O-CB 3.29Å; N730-Y734 WeakPolarHBondContact O-CB 3.45Å; N730-Y734 PolarHBondContact O-N 3.15Å; N731-Y734 PolarHBondContact O-N 3.2Å; Y734-Y736 PolarHBondContact O-N 2.92Å; Y734-C737 PolarHBondContact O-N 3.14Å; Y734-T738 HydrophobicContact CE1-CG2 4.45Å; Y734-R741 PolarHBondContact OH-NH1 3.4Å; Y734-R741 VanDerWaalsContact OH-NH1 3.08Å
735K43.4Very low51Low173 Ų173125.1 Ų125.175%0.75262%0.615SS**Hα-helixtrans-67.2-14.6177.1-154.7173.9-176.3-177.80114.1N731 L732 N733N731-K735 PolarHBondContact O-N 3.06Å; N731-K735 VanDerWaalsContact O-N 3.12Å; L732-K735 PolarHBondContact O-N 2.86Å; N733-K735 VanDerWaalsContact C-N 3.27Å; N733-K735 PolarHBondContact O-N 3.38Å
736Y44.2Very low50Low202 Ų202130.5 Ų130.579%0.79263%0.631SS**Hα-helixtrans-105.5-13.9172.4-75.6-83.1000114N733 Y734N733-Y736 PolarHBondContact O-N 3.43Å; N733-Y736 VanDerWaalsContact O-N 3.14Å; Y734-Y736 PolarHBondContact O-N 2.92Å
737C46.8Very low49.4Very low86 Ų86134.7 Ų134.758%0.58164%0.644SS**Hα-helixtrans-96.1-2.4-177.3-72.70000115.2N733 Y734 H739N733-C737 PolarHBondContact O-N 3.39Å; N733-C737 VanDerWaalsContact O-N 3.12Å; N733-C737 PolarHBondContact O-SG 3.25Å; N733-C737 VanDerWaalsContact O-SG 3.39Å; Y734-C737 PolarHBondContact O-N 3.14Å; C737-H739 PolarHBondContact O-N 3.08Å
738T44.5Very low48.9Very low94 Ų94136.5 Ų136.558%0.57765%0.654SS**G310 helixtrans-64-21.5-178.238.60000114.2Y734 Y740Y734-T738 HydrophobicContact CE1-CG2 4.45Å; T738-Y740 VanDerWaalsContact C-N 3.31Å; T738-Y740 PolarHBondContact O-N 2.84Å
739H42.8Very low48.5Very low179 Ų179140.2 Ų140.283%0.82967%0.666SS**G310 helixtrans-810.4-172-140.7-58.4000115.7C737C737-H739 PolarHBondContact O-N 3.08Å
740Y43.7Very low48.5Very low208 Ų208141.2 Ų141.282%0.81667%0.668SS**G310 helixtrans-12010.2-170-128-88000115.2T738T738-Y740 VanDerWaalsContact C-N 3.31Å; T738-Y740 PolarHBondContact O-N 2.84Å
741R43.8Very low48.5Very low163 Ų163141.4 Ų141.462%0.61567%0.674SS**  trans-98.210.9-165.2-148.9175.8-178171.9-1.6116.1Y734 T743Y734-R741 PolarHBondContact OH-NH1 3.4Å; Y734-R741 VanDerWaalsContact OH-NH1 3.08Å; R741-T743 PolarHBondContact O-N 3.04Å
742S44.8Very low48.8Very low107 Ų107144.4 Ų144.475%0.74868%0.683SS**THydrogen-bonded Turntrans-79.8-10.6-175.250.60000115.3
743T47.5Very low49.5Very low98 Ų98148.1 Ų148.160%0.60169%0.689SS**THydrogen-bonded Turntrans-99.1-7.5-166.452.30000116.1R741 K745R741-T743 PolarHBondContact O-N 3.04Å; T743-K745 VanDerWaalsContact C-N 3.27Å; T743-K745 PolarHBondContact O-N 3.42Å
744E49.6Very low50.5Low122 Ų122149.7 Ų149.757%0.5769%0.691SS**G310 helixtrans-70.4-16.5-175.7-83.9-170.2127.100114.8F746E744-F746 PolarHBondContact O-N 2.91Å
745K45.5Very low51.9Low202 Ų202148.9 Ų148.988%0.87870%0.695SS**G310 helixtrans-69.9-7.5179.6-108.8-176.3177.2-177.40115.4T743T743-K745 VanDerWaalsContact C-N 3.27Å; T743-K745 PolarHBondContact O-N 3.42Å
746F45.9Very low53.6Low174 Ų174146.2 Ų146.276%0.76369%0.685SS**G310 helixtrans-89.5-6.3-178-95.6-82.5000115.6E744E744-F746 PolarHBondContact O-N 2.91Å
747R52.2Low55.3Low166 Ų166141.5 Ų141.563%0.62667%0.673SS**G310 helixtrans-83.2-9.7-172.2-80.5-174.5174.7131.13.3116.4L749R747-L749 VanDerWaalsContact C-N 3.25Å; R747-L749 PolarHBondContact O-N 3.4Å
748E51.5Low56.8Low182 Ų182141.1 Ų141.185%0.8567%0.666SS**G310 helixtrans-80.3-3.8-177.3-60.1-167.7134.900113.8
749L50.3Low58.8Low131 Ų131140.8 Ų140.869%0.68666%0.66SS**G310 helixtrans-98.7-1-179.7-74.9165.1000115.1R747R747-L749 VanDerWaalsContact C-N 3.25Å; R747-L749 PolarHBondContact O-N 3.4Å
750E59.2Low60.6Low129 Ų129134.5 Ų134.560%0.60364%0.639SS**Hα-helixtrans-58.9-32.5-176.9-70.5-172.1160.800117.1K752 R753 K754E750-K752 VanDerWaalsContact C-N 3.32Å; E750-K752 PolarHBondContact O-N 2.98Å; E750-R753 PolarHBondContact O-N 3.46Å; E750-K754 PolarHBondContact O-N 3.38Å
751P57.6Low62.4Low106 Ų106128.4 Ų128.469%0.68862%0.619SS**Hα-helixtrans-69.9-20.8-171.825.3-33.9000115.2
752K62.4Low64.2Low164 Ų164127.2 Ų127.271%0.71362%0.621SS**Hα-helixtrans-78.2-53.6172.8-89.7-165.9169.5-167.90112.1E750 K754 L755 E756E750-K752 VanDerWaalsContact C-N 3.32Å; E750-K752 PolarHBondContact O-N 2.98Å; K752-K754 PolarHBondContact O-N 3.37Å; K752-K754 VanDerWaalsContact O-N 3.13Å; K752-L755 PolarHBondContact O-N 2.93Å; K752-E756 PolarHBondContact O-N 3.37Å
753R65.1Low65.8Low193 Ų193126.5 Ų126.573%0.72861%0.608SS**Hα-helixtrans-58.8-28.4-178.3-83.4-173174.4176.8-0.6113.8E750 E756 L757E750-R753 PolarHBondContact O-N 3.46Å; R753-E756 WeakPolarHBondContact CA-OE2 3.35Å; R753-L757 VanDerWaalsContact O-CB 3.3Å; R753-L757 WeakPolarHBondContact O-CB 3.06Å; R753-L757 PolarHBondContact O-N 2.84Å
754K72Confident67.2Low132 Ų132125.4 Ų125.457%0.57460%0.602SS**Hα-helixtrans-65.5-42.8174.5-174.6171.7178.2-172.30112.3E750 K752 L757 D758E750-K754 PolarHBondContact O-N 3.38Å; K752-K754 PolarHBondContact O-N 3.37Å; K752-K754 VanDerWaalsContact O-N 3.13Å; K754-L757 PolarHBondContact O-N 3.45Å; K754-D758 WeakPolarHBondContact CE-OD2 3.19Å; K754-D758 IonicContact NZ-OD2 3.97Å; K754-D758 WeakPolarHBondContact O-CB 3.45Å; K754-D758 PolarHBondContact O-N 3.19Å
755L77.9Confident68.2Low116 Ų116125.8 Ų125.861%0.60760%0.602SS**Hα-helixtrans-64.2-43.2178.7-176.264.5000110.9K752 L757 D758 L759K752-L755 PolarHBondContact O-N 2.93Å; L755-L757 PolarHBondContact O-N 2.92Å; L755-D758 PolarHBondContact O-N 3.41Å; L755-L759 HydrophobicContact CG-CD1 4.36Å; L755-L759 WeakPolarHBondContact O-CB 3.31Å; L755-L759 PolarHBondContact O-N 2.91Å
756E78.1Confident69.4Low116 Ų116119.2 Ų119.254%0.54258%0.581SS.*Hα-helixtrans-60.3-42.4175.4-66.1163.8173.800112K752 R753 A760K752-E756 PolarHBondContact O-N 3.37Å; R753-E756 WeakPolarHBondContact CA-OE2 3.35Å; E756-A760 WeakPolarHBondContact O-CB 3.35Å; E756-A760 PolarHBondContact O-N 3.41Å
757L79.3Confident70.4Confident103 Ų103115.3 Ų115.354%0.53957%0.572SS.*Hα-helixtrans-71.2-42.1178.9-175.664000112.7R753 K754 L755 L759 A760 I761R753-L757 VanDerWaalsContact O-CB 3.3Å; R753-L757 WeakPolarHBondContact O-CB 3.06Å; R753-L757 PolarHBondContact O-N 2.84Å; K754-L757 PolarHBondContact O-N 3.45Å; L755-L757 PolarHBondContact O-N 2.92Å; L757-L759 VanDerWaalsContact C-N 3.31Å; L757-L759 PolarHBondContact O-N 3.46Å; L757-A760 PolarHBondContact O-N 3.48Å; L757-I761 HydrophobicContact CD1-CD1 4.28Å; L757-I761 HydrophobicContact CD1-CG1 4.45Å; L757-I761 HydrophobicContact CG-CD1 4Å; L757-I761 WeakPolarHBondContact O-CB 3.33Å; L757-I761 VanDerWaalsContact O-CG1 3.27Å; L757-I761 WeakPolarHBondContact O-CG1 3.37Å; L757-I761 PolarHBondContact O-N 2.94Å
758D79.1Confident70.7Confident79 Ų79114.2 Ų114.242%0.42257%0.574SS.*Hα-helixtrans-62.9-40176.4-71.8-20.8000110.2K754 L755 Q762K754-D758 WeakPolarHBondContact CE-OD2 3.19Å; K754-D758 IonicContact NZ-OD2 3.97Å; K754-D758 WeakPolarHBondContact O-CB 3.45Å; K754-D758 PolarHBondContact O-N 3.19Å; L755-D758 PolarHBondContact O-N 3.41Å; D758-Q762 WeakPolarHBondContact O-CB 3.41Å; D758-Q762 PolarHBondContact O-N 3.42Å
759L85.7Confident71.2Confident87 Ų87111.8 Ų111.846%0.45557%0.565SS.*Hα-helixtrans-63.5-45.6171.5-107.3143.3000113L755 L757 I761 Q762 N763L755-L759 HydrophobicContact CG-CD1 4.36Å; L755-L759 WeakPolarHBondContact O-CB 3.31Å; L755-L759 PolarHBondContact O-N 2.91Å; L757-L759 VanDerWaalsContact C-N 3.31Å; L757-L759 PolarHBondContact O-N 3.46Å; L759-I761 VanDerWaalsContact C-N 3.33Å; L759-I761 PolarHBondContact O-N 3.41Å; L759-Q762 PolarHBondContact O-N 3.39Å; L759-N763 WeakPolarHBondContact O-CB 3.1Å; L759-N763 PolarHBondContact O-N 2.86Å
760A82Confident71.4Confident47 Ų47112.2 Ų112.239%0.38857%0.568SS.*Hα-helixtrans-63.2-39.517900000112E756 L757 T764E756-A760 WeakPolarHBondContact O-CB 3.35Å; E756-A760 PolarHBondContact O-N 3.41Å; L757-A760 PolarHBondContact O-N 3.48Å; A760-T764 WeakPolarHBondContact O-CB 2.92Å; A760-T764 PolarHBondContact O-N 2.76Å; A760-T764 PolarHBondContact O-OG1 3.12Å
761I80.4Confident70.9Confident79 Ų79113.8 Ų113.841%0.40558%0.576SS.*Hα-helixtrans-64-46.1174-70.1167000110.1L757 L759 N763 T764 F765L757-I761 HydrophobicContact CD1-CD1 4.28Å; L757-I761 HydrophobicContact CD1-CG1 4.45Å; L757-I761 HydrophobicContact CG-CD1 4Å; L757-I761 WeakPolarHBondContact O-CB 3.33Å; L757-I761 VanDerWaalsContact O-CG1 3.27Å; L757-I761 WeakPolarHBondContact O-CG1 3.37Å; L757-I761 PolarHBondContact O-N 2.94Å; L759-I761 VanDerWaalsContact C-N 3.33Å; L759-I761 PolarHBondContact O-N 3.41Å; I761-N763 PolarHBondContact O-N 3.46Å; I761-T764 PolarHBondContact O-N 3.34Å; I761-F765 HydrophobicContact CG2-CD2 3.89Å; I761-F765 HydrophobicContact CG2-CE2 4.06Å; I761-F765 WeakPolarHBondContact O-CD2 3.44Å; I761-F765 PolarHBondContact O-N 2.94Å
762Q81.4Confident70.3Confident139 Ų139118.1 Ų118.165%0.6558%0.584SS**Hα-helixtrans-61-44.5179.6-169.7168.2-1.800111.9D758 L759 F765 S766D758-Q762 WeakPolarHBondContact O-CB 3.41Å; D758-Q762 PolarHBondContact O-N 3.42Å; L759-Q762 PolarHBondContact O-N 3.39Å; Q762-F765 PolarHBondContact O-N 2.94Å; Q762-S766 PolarHBondContact O-N 3.05Å; Q762-S766 PolarHBondContact O-OG 3.24Å
763N79.8Confident69.2Low91 Ų91115.6 Ų115.649%0.48758%0.584SS.*Hα-helixtrans-63.7-40.7175.5-71.1-5.5000112.2L759 I761 F765 S766 T767L759-N763 WeakPolarHBondContact O-CB 3.1Å; L759-N763 PolarHBondContact O-N 2.86Å; I761-N763 PolarHBondContact O-N 3.46Å; N763-F765 PolarHBondContact O-N 3.32Å; N763-S766 WeakPolarHBondContact CA-OG 3.03Å; N763-S766 PolarHBondContact O-N 2.99Å; N763-S766 PolarHBondContact O-OG 3.39Å; N763-T767 PolarHBondContact O-N 3.42Å; N763-T767 PolarHBondContact O-OG1 3.5Å; N763-T767 VanDerWaalsContact O-OG1 3.14Å
764T76.6Confident68.4Low75 Ų75116 Ų11646%0.4659%0.587SS.*Hα-helixtrans-63.4-41.4178.1-54.90000111.4A760 I761 T767 Q768A760-T764 WeakPolarHBondContact O-CB 2.92Å; A760-T764 PolarHBondContact O-N 2.76Å; A760-T764 PolarHBondContact O-OG1 3.12Å; I761-T764 PolarHBondContact O-N 3.34Å; T764-T767 WeakPolarHBondContact CA-OG1 3.47Å; T764-T767 PolarHBondContact O-N 3.02Å; T764-T767 PolarHBondContact O-OG1 3.28Å; T764-Q768 PolarHBondContact O-N 3.31Å
765F69.6Low66.9Low131 Ų131117 Ų11758%0.57559%0.594SS**Hα-helixtrans-66.2-41.1175.3-91.9-78.4000112.7I761 Q762 N763 T767 Q768 I769I761-F765 HydrophobicContact CG2-CD2 3.89Å; I761-F765 HydrophobicContact CG2-CE2 4.06Å; I761-F765 WeakPolarHBondContact O-CD2 3.44Å; I761-F765 PolarHBondContact O-N 2.94Å; Q762-F765 PolarHBondContact O-N 2.94Å; N763-F765 PolarHBondContact O-N 3.32Å; F765-T767 VanDerWaalsContact C-N 3.31Å; F765-T767 PolarHBondContact O-N 3.04Å; F765-Q768 PolarHBondContact O-N 3.45Å; F765-I769 WeakPolarHBondContact O-CG1 3.32Å; F765-I769 PolarHBondContact O-N 3.14Å
766S71.3Confident65.2Low64 Ų64119.9 Ų119.945%0.44861%0.608SS.*Hα-helixtrans-63.7-35.2175.852.20000113Q762 N763Q762-S766 PolarHBondContact O-N 3.05Å; Q762-S766 PolarHBondContact O-OG 3.24Å; N763-S766 WeakPolarHBondContact CA-OG 3.03Å; N763-S766 PolarHBondContact O-N 2.99Å; N763-S766 PolarHBondContact O-OG 3.39Å
767T66.2Low63.6Low91 Ų91118.2 Ų118.256%0.55861%0.614SS**Hα-helixtrans-72.2-31.9177.547.40000113.8N763 T764 F765N763-T767 PolarHBondContact O-N 3.42Å; N763-T767 PolarHBondContact O-OG1 3.5Å; N763-T767 VanDerWaalsContact O-OG1 3.14Å; T764-T767 WeakPolarHBondContact CA-OG1 3.47Å; T764-T767 PolarHBondContact O-N 3.02Å; T764-T767 PolarHBondContact O-OG1 3.28Å; F765-T767 VanDerWaalsContact C-N 3.31Å; F765-T767 PolarHBondContact O-N 3.04Å
768Q60.2Low61.9Low143 Ų143123.1 Ų123.167%0.66863%0.631SS**Hα-helixtrans-78-23.9179.9-74.4-167-13.200114.1T764 F765 N770T764-Q768 PolarHBondContact O-N 3.31Å; F765-Q768 PolarHBondContact O-N 3.45Å; Q768-N770 VanDerWaalsContact C-N 3.32Å; Q768-N770 PolarHBondContact O-N 3.13Å
769I60.8Low60.2Low131 Ų131124.3 Ų124.367%0.67265%0.645SS**Hα-helixtrans-74-24.1-178.9-70.9168.7000112.1F765F765-I769 WeakPolarHBondContact O-CG1 3.32Å; F765-I769 PolarHBondContact O-N 3.14Å
770N54.3Low58.3Low140 Ų140129.9 Ų129.975%0.74967%0.666SS**THydrogen-bonded Turntrans-95.515.5-175.3-70.5-8.9000114.8Q768Q768-N770 VanDerWaalsContact C-N 3.32Å; Q768-N770 PolarHBondContact O-N 3.13Å
771Q49.7Very low56.5Low162 Ų162133.5 Ų133.576%0.75769%0.686SS**SBendtrans-137.579.6-179.3-70.1-167.6-11.200114.3
772K43.8Very low54.8Low198 Ų198134.9 Ų134.986%0.86170%0.703SS**  trans164.6115.5132.6-94.7176.8177-172.50113.9
773P40.3Very low52.9Low111 Ų111133.2 Ų133.272%0.72171%0.706SS**  trans-110166.114639.6-31.5000110.9
774Y47.4Very low51.1Low202 Ų202140 Ų14079%0.79273%0.725SS**  trans60.6148.4177.8-73.4-97.2000115.8
775E40.8Very low49.4Very low152 Ų152140.9 Ų140.971%0.7173%0.734SS**  cis-160.2162.2-28.5-152.3174.2-147.900106.7
776I42.3Very low48.1Very low176 Ų176144.5 Ų144.590%0.90375%0.75SS**  trans-174131.4150.7-100.6150.8000107.8
777A44.6Very low46.7Very low82 Ų82145.1 Ų145.168%0.67876%0.759SS**  trans-130.2158.217900000111.1
778K44.1Very low45.8Very low206 Ų206147.4 Ų147.490%0.89677%0.773SS**  trans60.2110.4164.2-63.6176.6-179.7176.10117.6
779S42.3Very low45Very low103 Ų103145.5 Ų145.572%0.7277%0.774SS**  trans-75.8136.5152.253.20000111.4
780F46.1Very low44.3Very low204 Ų204146 Ų14690%0.89578%0.778SS**  -176.2135.9128.2-106.5-74000109.3
781P44.1Very low43.8Very low123 Ų123146.6 Ų146.680%0.79978%0.781SS**  trans-101.9149.1-173.337-33.1000114.3
782S45.5Very low43.5Very low109 Ų109143.1 Ų143.176%0.76278%0.78SS**  trans-154.2128.7160.7-171.90000112.7
783S41.8Very low43.5Very low104 Ų104140.3 Ų140.373%0.72778%0.779SS**  trans56.1116.2143.9-50.70000122.6
784R41.7Very low43.6Very low233 Ų233145.4 Ų145.488%0.87978%0.784SS**  trans61.892.4136.3-78-173.6173.4174.1-1.8121.3
785S40.5Very low43.4Very low93 Ų93141 Ų14165%0.6578%0.783SS**  80.6137.2104.170.70000123.4
786F41.5Very low43.6Very low207 Ų207140.2 Ų140.291%0.90878%0.782SS**  trans85.8145.8154.9-80.7-71000121.7
787A43.2Very low43.8Very low78 Ų78140 Ų14065%0.64578%0.781SS**  trans75.480.9154.400000121.5
788T46.9Very low43.8Very low138 Ų138143.2 Ų143.285%0.84779%0.787SS**  65.9154.8129.4420000122.4
789P44.3Very low44Very low104 Ų104141.6 Ų141.668%0.67578%0.78SS**  trans-105.9168-174.541.3-35.1000114.5
790N45.5Very low44.4Very low142 Ų142143 Ų14376%0.75978%0.779SS**  174.4164.4127-90.8-24.6000113.6
791N44.4Very low44.3Very low152 Ų152142 Ų14281%0.81378%0.775SS**  trans67.7124.2166.6-54.7-25.7000116.2
792A42.2Very low44.5Very low89 Ų89141.5 Ų141.574%0.73677%0.774SS**  cis93.7125.242.300000114.2
793T43.2Very low44.3Very low138 Ų138142.7 Ų142.785%0.84777%0.77SS**  trans150123.7143.7-61.70000108.2
794R43.5Very low44.9Very low219 Ų219145 Ų14583%0.82677%0.773SS**  cis96.680.123.5-161.8-162.1-174.8-171.53.2115.9
795S42.6Very low44.9Very low109 Ų109140.2 Ų140.276%0.76276%0.764SS**  trans-161.2136.3148.641.80000107.6
796I44.7Very low45.4Very low136 Ų136146.1 Ų146.170%0.69777%0.774SS**  cis81.6111.540.6-59.3163.8000112.7
797I48.1Very low45.4Very low172 Ų172143.3 Ų143.388%0.88277%0.769SS**  -163.5154.7128.3-97.1156.1000107.7
798D43.7Very low45.6Very low149 Ų149147.6 Ų147.680%0.79778%0.775SS**  trans-127-168.8-161.2-154.4-24.2000111.1
799K49Very low45.3Very low172 Ų172145.7 Ų145.775%0.74877%0.767SS**  trans98.1147.7167.3-62.6178.3149.8-1080117.8
800D48.9Very low45.2Very low132 Ų132148 Ų14871%0.70677%0.774SS**  cis-148.5175.3-6.7-119.7-38000112.1
801K44.4Very low45.1Very low184 Ų184148.4 Ų148.480%0.878%0.775SS**  trans-112.6148.9-172-71.7175.1176.3172.40116
802S48.7Very low44.9Very low112 Ų112147.8 Ų147.878%0.78378%0.776SS**  trans-170.6129.8143.346.80000107.9
803I42Very low45.1Very low133 Ų133150.9 Ų150.968%0.68278%0.78SS**  cis75.395.835.4-51.2176.6000113.7
804I53.2Low45.1Very low154 Ų154149.9 Ų149.979%0.7978%0.776SS**  trans-140.2119.6143.3-61.6-175.6000106.6Y806I804-Y806 HydrophobicContact CG2-CD2 4.25Å
805D42.5Very low45Very low131 Ų131149.5 Ų149.570%0.70178%0.78SS**  trans-89.8149.2168.5-83.3-59.1000110.7
806Y51.6Low45.1Very low218 Ų218152.4 Ų152.486%0.85578%0.781SS**  trans-142.195.5155.2-104.3-79.8000109.9I804I804-Y806 HydrophobicContact CG2-CD2 4.25Å
807N40.1Very low45.1Very low148 Ų148153.9 Ų153.979%0.79179%0.789SS**  trans-73.9131.4162.4-80.5-53000109
808H48.2Very low45Very low167 Ų167152.2 Ų152.277%0.77378%0.781SS**  trans-136104149-136.2-65.2000109.2
809S40.1Very low45.5Very low99 Ų99148.1 Ų148.169%0.69276%0.762SS**  trans-66.2136.2162.550.20000109.1
810D43.4Very low45.2Very low151 Ų151150.5 Ų150.581%0.80777%0.766SS**  trans-150.5143.9149.4-125.2-37000112
811I42.1Very low45.9Very low152 Ų152147.3 Ų147.378%0.77975%0.754SS**  trans-104.1112.8-162.5-62.9168.2000110
812T40Very low45.9Very low138 Ų138146.2 Ų146.285%0.84775%0.749SS**  trans-134.9142.8165.947.90000113.1
813L47Very low47.2Very low154 Ų154143.5 Ų143.581%0.80673%0.73SS**  trans-60.5158.2-165.9-92.859.5000115.5K815L813-K815 PolarHBondContact O-N 3.12Å
814P44.3Very low48.1Very low118 Ų118144.6 Ų144.677%0.76673%0.726SS**  trans-62.7121.7173.827.6-35000111.1Q816P814-Q816 PolarHBondContact O-N 3.46Å
815K40.4Very low48.6Very low211 Ų211141.5 Ų141.592%0.91771%0.71SS**  trans-66.299.8170.7-100.8173.4177163.10109.9L813L813-K815 PolarHBondContact O-N 3.12Å
816Q45.2Very low49.3Very low169 Ų169137.4 Ų137.479%0.7969%0.691SS**  trans-52.4140176.5-72.8179.7-25.300111.6P814 I818P814-Q816 PolarHBondContact O-N 3.46Å; Q816-I818 PolarHBondContact O-N 3.31Å
817I43.3Very low49.5Very low167 Ų167131.1 Ų131.186%0.85668%0.679SS**  trans-76.889.9173.1-57.5174.7000107.8P819I817-P819 VanDerWaalsContact O-CD 3.27Å; I817-P819 WeakPolarHBondContact O-CD 3.39Å
818I46.7Very low50.7Low138 Ų138130.5 Ų130.571%0.70867%0.671SS**  trans-67.2116174.8-58.1175.2000108.5Q816 R820Q816-I818 PolarHBondContact O-N 3.31Å; I818-R820 PolarHBondContact O-N 3.43Å
819P53.6Low50.9Low63 Ų63124.4 Ų124.441%0.40965%0.654SS.*  trans-68.6123.3176.528.2-32.5000109.4I817 C821 Y840I817-P819 VanDerWaalsContact O-CD 3.27Å; I817-P819 WeakPolarHBondContact O-CD 3.39Å; P819-C821 PolarHBondContact O-N 3Å; P819-Y840 HydrophobicContact CG-CD1 4.31Å; P819-Y840 HydrophobicContact CG-CD2 4.48Å; P819-Y840 HydrophobicContact CG-CE1 3.76Å; P819-Y840 HydrophobicContact CG-CE2 3.96Å
820R44.3Very low51.1Low221 Ų221127.5 Ų127.583%0.83466%0.663SS**  trans-73.393.9177-71.5-175176-177.6-2110.2I818 F822I818-R820 PolarHBondContact O-N 3.43Å; R820-F822 HydrophobicContact CB-CE2 3.97Å; R820-F822 WeakPolarHBondContact O-CD2 3.42Å
821C63Low51.5Low65 Ų65131.3 Ų131.344%0.43967%0.666SS.*  trans-59.5138.1168.961.70000110.8P819 C838P819-C821 PolarHBondContact O-N 3Å; C821-C838 VanDerWaalsContact CB-SG 3.58Å
822F43.8Very low51.9Low161 Ų161130.8 Ų130.871%0.70666%0.658SS**  trans-12676.7171.8-78.8-80.8000109.5R820R820-F822 HydrophobicContact CB-CE2 3.97Å; R820-F822 WeakPolarHBondContact O-CD2 3.42Å
823C76.9Confident53Low55 Ų55129.8 Ų129.837%0.37264%0.642SS.*  trans-70.7142.9164.9-54.50000108.8N836 H841C823-N836 VanDerWaalsContact CA-O 3.26Å; C823-N836 WeakPolarHBondContact CA-O 3.49Å; C823-N836 WeakPolarHBondContact CB-O 3.47Å; C823-H841 PolarHBondContact SG-ND1 3.19Å; C823-H841 VanDerWaalsContact SG-ND1 3.38Å
824Y61.1Low53.9Low157 Ų157125.6 Ų125.662%0.61662%0.621SS**EExtended strand (participates in β ladder)trans-149.3153.1-179.168.7-88.3000114N836Y824-N836 PolarHBondContact N-O 3.48Å; Y824-N836 VanDerWaalsContact N-O 3.08Å; Y824-N836 PolarHBondContact O-N 3.31Å; Y824-N836 PolarHBondContact O-ND2 3.02Å
825M63.5Low55Low89 Ų89127.7 Ų127.744%0.43861%0.614SS.*EExtended strand (participates in β ladder)trans-84.5132.7-179.5-62.5164.275.900111.3F833 N834 Y835M825-F833 HydrophobicContact CE-CB 3.62Å; M825-F833 HydrophobicContact CE-CD1 3.92Å; M825-F833 HydrophobicContact CE-CD2 4.17Å; M825-F833 HydrophobicContact CE-CG 3.66Å; M825-N834 CarbonylContact C-O 3.59Å; M825-N834 VanDerWaalsContact CA-O 3.3Å; M825-N834 WeakPolarHBondContact CA-O 3.38Å; M825-Y835 HydrophobicContact CE-CE1 4.4Å; M825-Y835 HydrophobicContact CE-CE2 4Å; M825-Y835 WeakPolarHBondContact CE-OH 3.32Å; M825-Y835 HydrophobicContact CG-CD1 3.65Å; M825-Y835 HydrophobicContact CG-CD2 4.29Å; M825-Y835 HydrophobicContact CG-CE1 3.42Å; M825-Y835 VanDerWaalsContact CG-CE1 3.42Å; M825-Y835 HydrophobicContact CG-CE2 4.08Å; M825-Y835 HydrophobicContact CG-CG 4.09Å; M825-Y835 HydrophobicContact SD-CE1 3.68Å; M825-Y835 HydrophobicContact SD-CE2 4.34Å; M825-Y835 VanDerWaalsContact SD-CZ 3.58Å; M825-Y835 PolarHBondContact SD-OH 3.46Å
826S56.4Low56.2Low45 Ų45120.6 Ų120.632%0.31559%0.586SS.*EExtended strand (participates in β ladder)trans-110.4138.616454.90000109.4F833 N834 N836S826-F833 CarbonylContact O-C 3.39Å; S826-F833 VanDerWaalsContact O-CA 3.32Å; S826-F833 WeakPolarHBondContact O-CA 3.47Å; S826-N834 PolarHBondContact N-O 3.43Å; S826-N834 PolarHBondContact O-N 3.46Å; S826-N836 PolarHBondContact OG-ND2 3.49Å
827S57.2Low57.6Low85 Ų85117.2 Ų117.259%0.59457%0.573SS**EExtended strand (participates in β ladder)trans-91.9128.817870.70000111.7G829 K832S827-G829 VanDerWaalsContact C-N 3.28Å; S827-G829 PolarHBondContact O-N 3.12Å; S827-K832 CarbonylContact C-O 3.52Å; S827-K832 VanDerWaalsContact CA-O 3.24Å; S827-K832 WeakPolarHBondContact CA-O 3.36Å
828Q63.7Low59.2Low135 Ų135110.7 Ų110.763%0.63154%0.542SS*.EExtended strand (participates in β ladder)trans-8612.3176.8-79.9-162.3-23.500114.2K832 N834Q828-K832 HydrophobicContact CB-CB 4.29Å; Q828-K832 PolarHBondContact N-O 3.4Å; Q828-N834 PolarHBondContact NE2-ND2 3.14Å
829G52.3Low60Low40 Ų40110.5 Ų110.541%0.41254%0.538SS..EExtended strand (participates in β ladder)trans78.3177.5-167.800000112S827 R831 K832S827-G829 VanDerWaalsContact C-N 3.28Å; S827-G829 PolarHBondContact O-N 3.12Å; G829-R831 PolarHBondContact O-N 3.22Å; G829-K832 PolarHBondContact O-N 3.32Å
830N45.3Very low60.7Low164 Ų164113.3 Ų113.388%0.87754%0.542SS*.THydrogen-bonded Turntrans43.636.9-175.3-68.71.7000114.6K832N830-K832 PolarHBondContact O-N 3.29Å
831R50.7Low61.9Low230 Ų230105.7 Ų105.787%0.86852%0.515SS*.THydrogen-bonded Turntrans61.312.5-176.5-51.9179.5179.4179.1-0.6116.1G829 F833G829-R831 PolarHBondContact O-N 3.22Å; R831-F833 WeakPolarHBondContact O-CD2 3.48Å; R831-F833 WeakPolarHBondContact O-CE2 3.36Å
832K52.1Low61.9Low141 Ų141108.3 Ų108.361%0.61352%0.521SS*.EExtended strand (participates in β ladder)trans-81.4144.4173.5-66.9-170.4175.5-172.50111.8S827 Q828 G829 N830S827-K832 CarbonylContact C-O 3.52Å; S827-K832 VanDerWaalsContact CA-O 3.24Å; S827-K832 WeakPolarHBondContact CA-O 3.36Å; Q828-K832 HydrophobicContact CB-CB 4.29Å; Q828-K832 PolarHBondContact N-O 3.4Å; G829-K832 PolarHBondContact O-N 3.32Å; N830-K832 PolarHBondContact O-N 3.29Å
833F63.1Low62.9Low117 Ų117105.2 Ų105.251%0.51351%0.512SS..EExtended strand (participates in β ladder)trans-130.5131.6177.1-58.9-89.4000110.9M825 S826 R831M825-F833 HydrophobicContact CE-CB 3.62Å; M825-F833 HydrophobicContact CE-CD1 3.92Å; M825-F833 HydrophobicContact CE-CD2 4.17Å; M825-F833 HydrophobicContact CE-CG 3.66Å; S826-F833 CarbonylContact O-C 3.39Å; S826-F833 VanDerWaalsContact O-CA 3.32Å; S826-F833 WeakPolarHBondContact O-CA 3.47Å; R831-F833 WeakPolarHBondContact O-CD2 3.48Å; R831-F833 WeakPolarHBondContact O-CE2 3.36Å
834N65.1Low62Low67 Ų67110.1 Ų110.136%0.35853%0.527SS..EExtended strand (participates in β ladder)trans-101.3134169.6-72.315.2000109.3M825 S826 Q828 N836M825-N834 CarbonylContact C-O 3.59Å; M825-N834 VanDerWaalsContact CA-O 3.3Å; M825-N834 WeakPolarHBondContact CA-O 3.38Å; S826-N834 PolarHBondContact N-O 3.43Å; S826-N834 PolarHBondContact O-N 3.46Å; Q828-N834 PolarHBondContact NE2-ND2 3.14Å; N834-N836 PolarHBondContact O-ND2 3.49Å
835Y66.9Low61.6Low162 Ų162108.8 Ų108.864%0.63553%0.531SS*.EExtended strand (participates in β ladder)trans-88.4122.5171.2-72.5-102.7000109.3M825M825-Y835 HydrophobicContact CE-CE1 4.4Å; M825-Y835 HydrophobicContact CE-CE2 4Å; M825-Y835 WeakPolarHBondContact CE-OH 3.32Å; M825-Y835 HydrophobicContact CG-CD1 3.65Å; M825-Y835 HydrophobicContact CG-CD2 4.29Å; M825-Y835 HydrophobicContact CG-CE1 3.42Å; M825-Y835 VanDerWaalsContact CG-CE1 3.42Å; M825-Y835 HydrophobicContact CG-CE2 4.08Å; M825-Y835 HydrophobicContact CG-CG 4.09Å; M825-Y835 HydrophobicContact SD-CE1 3.68Å; M825-Y835 HydrophobicContact SD-CE2 4.34Å; M825-Y835 VanDerWaalsContact SD-CZ 3.58Å; M825-Y835 PolarHBondContact SD-OH 3.46Å
836N66.1Low60.7Low61 Ų61108.8 Ų108.833%0.32654%0.54SS..EExtended strand (participates in β ladder)trans-99.6114.7175.4-48.6-88.5000107.2C823 Y824 S826 N834C823-N836 VanDerWaalsContact CA-O 3.26Å; C823-N836 WeakPolarHBondContact CA-O 3.49Å; C823-N836 WeakPolarHBondContact CB-O 3.47Å; Y824-N836 PolarHBondContact N-O 3.48Å; Y824-N836 VanDerWaalsContact N-O 3.08Å; Y824-N836 PolarHBondContact O-N 3.31Å; Y824-N836 PolarHBondContact O-ND2 3.02Å; S826-N836 PolarHBondContact OG-ND2 3.49Å; N834-N836 PolarHBondContact O-ND2 3.49Å
837L75.4Confident60.1Low99 Ų99112 Ų11252%0.51856%0.562SS.*  trans-75.9150.6172.2-75.679000109.4H841L837-H841 HydrophobicContact CB-CB 4.25Å; L837-H841 HydrophobicContact CD2-CB 3.83Å
838C76.5Confident59.4Low30 Ų30112.5 Ų112.520%0.20356%0.564CS.*  trans-79.5157172.358.70000111.4C821 Y840 H841 Q842C821-C838 VanDerWaalsContact CB-SG 3.58Å; C838-Y840 PolarHBondContact O-N 3.27Å; C838-H841 PolarHBondContact O-N 3.36Å; C838-Q842 PolarHBondContact O-N 3.3Å
839Q62.4Low58.2Low134 Ų134117.2 Ų117.263%0.62658%0.576SS**G310 helixtrans-54.3-32.5-175.6-158.4169.3-1.700113.9H841 Q842 D843Q839-H841 PolarHBondContact O-N 3.15Å; Q839-H841 VanDerWaalsContact O-N 3.16Å; Q839-Q842 CarbonylContact O-C 3.58Å; Q839-Q842 WeakPolarHBondContact O-CA 3.29Å; Q839-Q842 VanDerWaalsContact O-CB 3.28Å; Q839-Q842 WeakPolarHBondContact O-CB 3.41Å; Q839-Q842 PolarHBondContact O-N 3.23Å; Q839-D843 VanDerWaalsContact O-CG 3.26Å; Q839-D843 PolarHBondContact O-N 3.27Å
840Y68.4Low57.6Low122 Ų122122.6 Ų122.648%0.47859%0.59SS.*G310 helixtrans-58-26.9172.4-172.1-103.9000114.7P819 C838P819-Y840 HydrophobicContact CG-CD1 4.31Å; P819-Y840 HydrophobicContact CG-CD2 4.48Å; P819-Y840 HydrophobicContact CG-CE1 3.76Å; P819-Y840 HydrophobicContact CG-CE2 3.96Å; C838-Y840 PolarHBondContact O-N 3.27Å
841H70.4Confident57.4Low60 Ų60121.5 Ų121.528%0.27858%0.58SS.*G310 helixtrans-97.2-3.8171.9-58.5159.2000113.1C823 L837 C838 Q839 N845C823-H841 PolarHBondContact SG-ND1 3.19Å; C823-H841 VanDerWaalsContact SG-ND1 3.38Å; L837-H841 HydrophobicContact CB-CB 4.25Å; L837-H841 HydrophobicContact CD2-CB 3.83Å; C838-H841 PolarHBondContact O-N 3.36Å; Q839-H841 PolarHBondContact O-N 3.15Å; Q839-H841 VanDerWaalsContact O-N 3.16Å; H841-N845 PolarHBondContact O-ND2 2.98Å
842Q63.8Low56.9Low121 Ų121118 Ų11857%0.56557%0.573SS**THydrogen-bonded Turntrans-92.3-46.8178.2-159.9170.8000109.2C838 Q839 F844 N845 S846C838-Q842 PolarHBondContact O-N 3.3Å; Q839-Q842 CarbonylContact O-C 3.58Å; Q839-Q842 WeakPolarHBondContact O-CA 3.29Å; Q839-Q842 VanDerWaalsContact O-CB 3.28Å; Q839-Q842 WeakPolarHBondContact O-CB 3.41Å; Q839-Q842 PolarHBondContact O-N 3.23Å; Q842-F844 VanDerWaalsContact C-N 3.27Å; Q842-F844 PolarHBondContact O-N 2.99Å; Q842-N845 PolarHBondContact O-N 3.38Å; Q842-S846 PolarHBondContact O-N 2.86Å; Q842-S846 VanDerWaalsContact O-N 3.16Å; Q842-S846 PolarHBondContact O-OG 3.43Å
843D64.5Low56.2Low95 Ų95115 Ų11551%0.50857%0.569SS.*THydrogen-bonded Turntrans-66.5-28.4174.8-54.1-26.7000111.9Q839 N845 S846Q839-D843 VanDerWaalsContact O-CG 3.26Å; Q839-D843 PolarHBondContact O-N 3.27Å; D843-N845 PolarHBondContact O-N 3.44Å; D843-S846 PolarHBondContact O-OG 3.08Å
844F58.3Low55.1Low158 Ų158116.2 Ų116.269%0.69358%0.577SS**THydrogen-bonded Turntrans-72.4-13.7172.1-116-83.3000114Q842Q842-F844 VanDerWaalsContact C-N 3.27Å; Q842-F844 PolarHBondContact O-N 2.99Å
845N52.2Low53.9Low130 Ų130120.1 Ų120.170%0.69559%0.592SS**THydrogen-bonded Turntrans-113.2-10.9-176.7-92.3-37.7000113.9H841 Q842 D843H841-N845 PolarHBondContact O-ND2 2.98Å; Q842-N845 PolarHBondContact O-N 3.38Å; D843-N845 PolarHBondContact O-N 3.44Å
846S44.4Very low52.7Low89 Ų89120.2 Ų120.262%0.62260%0.598SS**  trans-91.5-0.7-177.655.80000114.5Q842 D843 C848Q842-S846 PolarHBondContact O-N 2.86Å; Q842-S846 VanDerWaalsContact O-N 3.16Å; Q842-S846 PolarHBondContact O-OG 3.43Å; D843-S846 PolarHBondContact O-OG 3.08Å; S846-C848 PolarHBondContact O-N 2.98Å
847S43.6Very low51.3Low111 Ų111125.2 Ų125.278%0.77662%0.618SS**SBendtrans-72.817.3-178.1-1550000114.8
848C42.7Very low49.4Very low97 Ų97130.3 Ų130.366%0.65563%0.63SS**SBendtrans-151108.2-175.5-91.10000113.7S846S846-C848 PolarHBondContact O-N 2.98Å
849R37.3Very low47.8Very low233 Ų233134.2 Ų134.288%0.87966%0.655SS**  trans63.1149.4148.5-58.7178.8-178.6-176.60.1117.4
850H39.9Very low47Very low153 Ų153132.5 Ų132.571%0.70866%0.656SS**  cis167.8144.2-24.8-118-73.7000105.1
851H41.2Very low45.8Very low141 Ų141135.3 Ų135.365%0.65367%0.673SS**  trans74.9135.5151.8-82.6-73.9000124.6
852H40.1Very low44.4Very low158 Ų158137.3 Ų137.373%0.73169%0.694SS**  trans70.9151.5146.1-70.7-57.9000121.7
853S37.7Very low43.3Very low76 Ų76136.8 Ų136.853%0.53170%0.704SS.*  cis176.5175.3-4643.90000111.9
854H40.9Very low42.2Very low144 Ų144142.4 Ų142.467%0.66772%0.719SS**  trans77.9115.6167.8-63.9-76.8000116.7
855Q40.1Very low41.4Very low148 Ų148143 Ų14369%0.69273%0.729SS**  84.514986.1-77.8173.6-2300113.7
856H41.7Very low40.6Very low164 Ų164143 Ų14376%0.75973%0.729SS**  cis-147.1-160.3-0.6-121.5-41.8000109
857F36.4Very low40.3Very low167 Ų167148.4 Ų148.473%0.73274%0.737SS**  cis-153.4-169.810.9-160.3-124.8000111.3
858W34.1Very low40Very low206 Ų206150.5 Ų150.578%0.7873%0.734SS**  trans-135.3-164.1-179.7-100.359.5000109.9P860W858-P860 HydrophobicContact CE3-CG 4.48Å; W858-P860 HydrophobicContact CZ3-CG 4.18Å
859P44.7Very low39.7Very low112 Ų112153.4 Ų153.473%0.72774%0.743SS**  cis-133.4-173.1-1.644.3-26.6000115.9
860P45Very low39.8Very low98 Ų98150.2 Ų150.264%0.63674%0.743SS**  trans-121.8-177.2175.943.4-33.4000115.7W858W858-P860 HydrophobicContact CE3-CG 4.48Å; W858-P860 HydrophobicContact CZ3-CG 4.18Å
861Q43.4Very low39.6Very low180 Ų180153 Ų15384%0.84175%0.747SS**  trans-144.6122.9166.6-85.3-175.1-3.600109.5
862S39.4Very low39.8Very low103 Ų103152.1 Ų152.172%0.7275%0.754SS**  65.1142.992.574.70000115.2
863S42.6Very low39.6Very low110 Ų110151.2 Ų151.277%0.76976%0.755SS**  cis-151.317430.4-59.20000115.5
864Y41.3Very low39.8Very low212 Ų212154.8 Ų154.883%0.83177%0.774SS**  trans-67.2157.7-176.3-74.9-110.3000117.5
865L41.1Very low39.5Very low172 Ų172153.3 Ų153.390%0.90178%0.78SS**  -167.8155.1112.9-106.3165000114.2
866N35.7Very low39.6Very low130 Ų130154.8 Ų154.870%0.69579%0.791SS**  trans-109.3158.5178.4-86.8-42.5000110.6
867Y36.8Very low39.4Very low201 Ų201153.8 Ų153.879%0.78879%0.791SS**  -171.4-176.7113.5-119.8-104.1000114.6
868Q37.6Very low39.5Very low155 Ų155150.3 Ų150.372%0.72479%0.787SS**  trans-84.9147.8-148.7-67.6165.9-28.900118.3
869L36Very low39.9Very low158 Ų158151.8 Ų151.883%0.82779%0.794SS**  10.5128.9127.8-138.781.1000119.4
870N40.2Very low39.5Very low166 Ų166156.8 Ų156.889%0.88880%0.798SS**  -163.3158.6129.4-112.3-36.6000112.9
871R36.2Very low39.5Very low211 Ų211162 Ų16280%0.79681%0.811SS**  trans-159.5131.9-174.7-169.4-164.9-157-165.98.8112.3
872P44.3Very low39.2Very low124 Ų124159.3 Ų159.381%0.80580%0.803SS**  trans-110.8163.7159.516.53.3000112.7
873N35.5Very low39.2Very low139 Ų139160.9 Ų160.974%0.74381%0.812SS**  trans-103.7152175.1-54.5-52.9000110.7
874T42.1Very low39.1Very low150 Ų150164.3 Ų164.392%0.9282%0.816SS**  trans-137.4148.8150.1470000110.2
875S35Very low38.9Very low114 Ų114162 Ų16280%0.79782%0.817SS**  trans-129.5148.6-179.252.10000109.3
876I42.1Very low39.3Very low179 Ų179159.6 Ų159.692%0.91881%0.812SS**  trans-154.7158.5164-107.7150.7000109.5
877D38.3Very low39.3Very low143 Ų143159 Ų15977%0.76582%0.818SS**  trans-110.2163.2-147.5-125.5-61.6000116.2
878S38.8Very low39.4Very low94 Ų94154.8 Ų154.866%0.65782%0.818SS**  trans36.1127.6145.5-68.60000122.1
879Y42.2Very low39.6Very low236 Ų236152 Ų15293%0.92582%0.816SS**  -150.5146.7121.1-117.3-76.4000112.3
880R35.9Very low39.6Very low217 Ų217151.2 Ų151.282%0.81981%0.812SS**  trans-141.5133.7-172.7-177.9-172.3-171.6178.26.4110.2
881K44.4Very low39.7Very low207 Ų207152.7 Ų152.790%0.981%0.811SS**  trans-151154.5164.6-113.1171.1-175.8177.60111.5
882N38.7Very low39.7Very low125 Ų125147.6 Ų147.667%0.66880%0.803SS**  trans-108155.6-168.1-48.7-45.1000111.7
883C38.9Very low39.3Very low135 Ų135151.2 Ų151.291%0.91281%0.807SS**  trans-130.6137.6149.9-69.70000109
884Q39.5Very low39.4Very low182 Ų182149.1 Ų149.185%0.8580%0.803SS**  trans-109.3157176.3-68.1168.5-81.900109.8
885L37.3Very low39.1Very low163 Ų163149.5 Ų149.585%0.85380%0.8SS**  trans-82.1147.3163.8-7680.3000110.1
886P49.8Very low39.6Very low123 Ų123151 Ų15180%0.79980%0.804SS**  trans-90.1158.1145.835.4-29.8000111
887S35.2Very low39.4Very low116 Ų116150.6 Ų150.681%0.81180%0.798SS**  trans-145112.5179.960.30000112.6
888S40.2Very low39.4Very low114 Ų114149.2 Ų149.280%0.79779%0.794SS**  trans-172.9153.3174.846.60000108.3
889S40.5Very low39.6Very low97 Ų97151.4 Ų151.468%0.67880%0.799SS**  cis-165.1159.4-13.942.30000109.3
890N37.1Very low39.4Very low141 Ų141144.8 Ų144.875%0.75479%0.787SS**  trans26.9129.3150.3-50-6.7000120.1
891F42Very low39.8Very low197 Ų197139.4 Ų139.486%0.86478%0.783SS**  -160.3179.7101.5-118.5-86.2000111.5
892T35.9Very low40Very low103 Ų103140.2 Ų140.263%0.63281%0.805SS**  trans-140.2166.2-154.746.30000113.5
893F35.8Very low40.1Very low200 Ų200141 Ų14188%0.87781%0.812SS**  trans69.7156.5164.5-92.6-127.5000115.2
894S38.7Very low40.1Very low96 Ų96141.3 Ų141.367%0.67181%0.807SS**  cis-137.1168.40.5-58.30000111.3
895D35.7Very low40.1Very low158 Ų158139 Ų13985%0.84580%0.804SS**  trans-68.2154159.1-54.2-89.6000112.3
896V43.7Very low40.3Very low146 Ų146137.6 Ų137.689%0.88580%0.801SS**  trans-140.8142.91611790000109
897E37.9Very low39.7Very low169 Ų169138.5 Ų138.579%0.7980%0.802SS**  trans-103.6156.5-167.2-77.8-170.499.700115.5
898V39.4Very low40Very low114 Ų114140 Ų14069%0.69180%0.801SS**  trans74.6160.8134.4162.30000121.1
899N42.1Very low40Very low140 Ų140141.9 Ų141.975%0.74980%0.801SS**  trans80.588.1166.5-76.4-11.8000122.3
900S38Very low40Very low97 Ų97145.3 Ų145.368%0.67881%0.811SS**  66158.510768.20000123.8
901S44.5Very low40.2Very low105 Ų105145.7 Ų145.773%0.73482%0.815SS**  trans64.685.316352.60000119.6
902T48.7Very low40Very low223 Ų223141 Ų141100%1.36881%0.811SS**  -162.30113.110.30000110.5

Retrieved 902 of 902 residues in 214.7 ms (Link to these results)

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