A0A077Z744_TRITR Loading...

Small-subunit processome Utp12 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z744, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 197 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
1M39.1Very low66.4Low245 Ų24593.3 Ų93.3100%1.20753%0.531SS*.  0118.20-132.7174173.400106.9
2L48.8Very low68.2Low160 Ų16095.4 Ų95.484%0.83852%0.524SS*.  trans61.461.3-179.4-67.4164.7000118.2
3L55.9Low69.8Low31 Ų31101.5 Ų101.516%0.16254%0.535CS..  trans-114.71.1154.1-76.9162.9000112.1A5 F30 V39 Q43 L44 W47L3-A5 PolarHBondContact O-N 3.31Å; L3-F30 HydrophobicContact CD2-CE1 4.46Å; L3-V39 HydrophobicContact CB-CG1 4.2Å; L3-V39 HydrophobicContact CD1-CG1 4.04Å; L3-V39 HydrophobicContact CD1-CG2 4.34Å; L3-Q43 WeakPolarHBondContact O-CG 3.47Å; L3-Q43 PolarHBondContact O-NE2 3.37Å; L3-L44 HydrophobicContact CD1-CD1 3.88Å; L3-W47 HydrophobicContact CD2-CD2 3.97Å; L3-W47 HydrophobicContact CD2-CG 3.66Å; L3-W47 VanDerWaalsContact CD2-NE1 3.26Å
4V54.1Low71.2Confident132 Ų13299.8 Ų99.880%0.853%0.53SS*.SBendtrans-86.7107.9-174.8-177.10000109.3
5A54.9Low72.4Confident86 Ų8693.1 Ų93.171%0.71149%0.494SS*.  trans53.454.3164.800000119.6L3L3-A5 PolarHBondContact O-N 3.31Å
6P64.4Low73.5Confident39 Ų3994.3 Ų94.325%0.25350%0.496SS..  trans-72.5146.5149.15.812.9000109.2D10 I11 W47P6-D10 HydrophobicContact CB-CB 3.61Å; P6-I11 HydrophobicContact CB-CG1 3.87Å; P6-I11 HydrophobicContact CG-CD1 4.38Å; P6-I11 HydrophobicContact CG-CG1 3.79Å; P6-W47 HydrophobicContact CG-CZ2 3.98Å
7G75.1Confident74.6Confident38 Ų3895.8 Ų95.839%0.39250%0.504SS..  trans-58.7159.1167.900000110.7E9 D10 I11G7-E9 PolarHBondContact O-N 2.95Å; G7-E9 VanDerWaalsContact O-N 3.13Å; G7-D10 PolarHBondContact N-OD2 2.83Å; G7-D10 WeakPolarHBondContact O-CB 3.12Å; G7-D10 PolarHBondContact O-N 3.07Å; G7-I11 PolarHBondContact O-N 3.31Å
8I80.5Confident75.4Confident87 Ų8792 Ų9245%0.44648%0.484SS..Hα-helixtrans-52.7-38.8179.1-67.7169000110.7I11 R12 L46I8-I11 PolarHBondContact O-N 2.8Å; I8-R12 PolarHBondContact O-N 2.87Å; I8-L46 HydrophobicContact CG1-CD2 4.34Å
9E84.7Confident76.3Confident119 Ų11991.8 Ų91.856%0.55649%0.489SS*.Hα-helixtrans-67.8-36.2178.9-8247.4-128.200112.5G7 R12 R13G7-E9 PolarHBondContact O-N 2.95Å; G7-E9 VanDerWaalsContact O-N 3.13Å; E9-R12 PolarHBondContact O-N 3.3Å; E9-R13 WeakPolarHBondContact O-CB 3.34Å; E9-R13 PolarHBondContact O-N 3.43Å
10D87.1Confident76.9Confident87 Ų8793.3 Ų93.347%0.46549%0.491SS..Hα-helixtrans-69.1-42.6175.6-64.3-40.8000110.6P6 G7 R12 R13 V14P6-D10 HydrophobicContact CB-CB 3.61Å; G7-D10 PolarHBondContact N-OD2 2.83Å; G7-D10 WeakPolarHBondContact O-CB 3.12Å; G7-D10 PolarHBondContact O-N 3.07Å; D10-R12 VanDerWaalsContact C-N 3.33Å; D10-R12 PolarHBondContact O-N 3.25Å; D10-R13 PolarHBondContact O-N 2.84Å; D10-V14 WeakPolarHBondContact O-CB 3.33Å; D10-V14 VanDerWaalsContact O-CG2 3.24Å; D10-V14 WeakPolarHBondContact O-CG2 3.37Å; D10-V14 PolarHBondContact O-N 3.12Å
11I85.9Confident77.4Confident2 Ų293.3 Ų93.31%0.0150%0.504CS..Hα-helixtrans-58-49174.6-64.1177.9000109.8P6 G7 I8 V14 A15 W47 H50P6-I11 HydrophobicContact CB-CG1 3.87Å; P6-I11 HydrophobicContact CG-CD1 4.38Å; P6-I11 HydrophobicContact CG-CG1 3.79Å; G7-I11 PolarHBondContact O-N 3.31Å; I8-I11 PolarHBondContact O-N 2.8Å; I11-V14 PolarHBondContact O-N 2.98Å; I11-A15 WeakPolarHBondContact O-CB 3.3Å; I11-A15 PolarHBondContact O-N 3.07Å; I11-W47 HydrophobicContact CB-CZ2 4.28Å; I11-W47 HydrophobicContact CG1-CD2 4.46Å; I11-W47 HydrophobicContact CG1-CZ2 3.84Å; I11-W47 HydrophobicContact CG2-CD2 3.63Å; I11-W47 HydrophobicContact CG2-CE3 3.77Å; I11-W47 HydrophobicContact CG2-CG 4.07Å; I11-W47 HydrophobicContact CG2-CH2 4.29Å; I11-W47 HydrophobicContact CG2-CZ2 4.18Å; I11-W47 HydrophobicContact CG2-CZ3 4.09Å; I11-H50 HydrophobicContact CG2-CB 3.99Å
12R87.8Confident79.8Confident119 Ų11983.5 Ų83.545%0.44946%0.462SS..Hα-helixtrans-58.7-50.7178.6-174.9-172.7-63.2-165.82.7111.3I8 E9 D10 V14 A15 E16I8-R12 PolarHBondContact O-N 2.87Å; E9-R12 PolarHBondContact O-N 3.3Å; D10-R12 VanDerWaalsContact C-N 3.33Å; D10-R12 PolarHBondContact O-N 3.25Å; R12-V14 VanDerWaalsContact C-N 3.33Å; R12-V14 PolarHBondContact O-N 2.86Å; R12-A15 WeakPolarHBondContact O-CB 3.13Å; R12-A15 PolarHBondContact O-N 3.38Å; R12-E16 WeakPolarHBondContact CG-OE1 3.37Å; R12-E16 WeakPolarHBondContact O-CG 3.46Å; R12-E16 PolarHBondContact O-N 3.17Å
13R88.8Confident81.8Confident175 Ų17575.9 Ų75.966%0.6642%0.422SS*.Hα-helixtrans-61.9-41.4-178.6-174.2-179.3178.2-174.30.6111.8E9 D10 N17E9-R13 WeakPolarHBondContact O-CB 3.34Å; E9-R13 PolarHBondContact O-N 3.43Å; D10-R13 PolarHBondContact O-N 2.84Å; R13-N17 PolarHBondContact O-ND2 3.05Å
14V90.1Very high83.3Confident77 Ų7776.1 Ų76.147%0.46742%0.424SS..Hα-helixtrans-66.7-44.8176.7174.30000110D10 I11 R12 E16 N17 I18 W47D10-V14 WeakPolarHBondContact O-CB 3.33Å; D10-V14 VanDerWaalsContact O-CG2 3.24Å; D10-V14 WeakPolarHBondContact O-CG2 3.37Å; D10-V14 PolarHBondContact O-N 3.12Å; I11-V14 PolarHBondContact O-N 2.98Å; R12-V14 VanDerWaalsContact C-N 3.33Å; R12-V14 PolarHBondContact O-N 2.86Å; V14-E16 VanDerWaalsContact C-N 3.32Å; V14-E16 PolarHBondContact O-N 3.16Å; V14-N17 PolarHBondContact O-N 2.96Å; V14-N17 VanDerWaalsContact O-N 3.08Å; V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.42Å; V14-I18 PolarHBondContact O-N 3Å; V14-W47 HydrophobicContact CB-CH2 3.79Å; V14-W47 HydrophobicContact CB-CZ3 4.16Å; V14-W47 HydrophobicContact CG1-CH2 3.66Å; V14-W47 HydrophobicContact CG1-CZ3 3.92Å
15A89.5Confident85Confident0 Ų073.8 Ų73.80%041%0.411CS..Hα-helixtrans-56.7-42.3179.500000112.8I11 R12 N17 I18 H50 V51 H55I11-A15 WeakPolarHBondContact O-CB 3.3Å; I11-A15 PolarHBondContact O-N 3.07Å; R12-A15 WeakPolarHBondContact O-CB 3.13Å; R12-A15 PolarHBondContact O-N 3.38Å; A15-N17 VanDerWaalsContact C-N 3.28Å; A15-N17 PolarHBondContact O-N 3.39Å; A15-I18 WeakPolarHBondContact O-CG1 3.36Å; A15-I18 PolarHBondContact O-N 2.78Å; A15-H50 HydrophobicContact CB-CB 4.03Å; A15-V51 HydrophobicContact CB-CG2 3.94Å; A15-H55 PolarHBondContact O-NE2 3.41Å
16E90.2Very high86.7Confident112 Ų11271.7 Ų71.752%0.52339%0.388SS..Hα-helixtrans-63.4-31.6177.6-72.6169.7-170.900113.4R12 V14 I18 A54R12-E16 WeakPolarHBondContact CG-OE1 3.37Å; R12-E16 WeakPolarHBondContact O-CG 3.46Å; R12-E16 PolarHBondContact O-N 3.17Å; V14-E16 VanDerWaalsContact C-N 3.32Å; V14-E16 PolarHBondContact O-N 3.16Å; E16-I18 VanDerWaalsContact C-N 3.32Å; E16-I18 PolarHBondContact O-N 3.49Å; E16-A54 HydrophobicContact CG-CB 3.94Å
17N91.8Very high87.9Confident119 Ų11969.9 Ų69.964%0.63638%0.376SS*.THydrogen-bonded Turntrans-88.21.7-177-70.6-60.1000113.7R13 V14 A15R13-N17 PolarHBondContact O-ND2 3.05Å; V14-N17 PolarHBondContact O-N 2.96Å; V14-N17 VanDerWaalsContact O-N 3.08Å; A15-N17 VanDerWaalsContact C-N 3.28Å; A15-N17 PolarHBondContact O-N 3.39Å
18I89.5Confident88.4Confident28 Ų2871.3 Ų71.314%0.14438%0.38CS..SBendtrans-71.1126.5179.9-57.9-176.6000109.4V14 A15 E16 A22 I23 L26 V51 H55V14-I18 VanDerWaalsContact O-CG1 3.3Å; V14-I18 WeakPolarHBondContact O-CG1 3.42Å; V14-I18 PolarHBondContact O-N 3Å; A15-I18 WeakPolarHBondContact O-CG1 3.36Å; A15-I18 PolarHBondContact O-N 2.78Å; E16-I18 VanDerWaalsContact C-N 3.32Å; E16-I18 PolarHBondContact O-N 3.49Å; I18-A22 HydrophobicContact CG2-CB 4.18Å; I18-I23 HydrophobicContact CG2-CG1 4.25Å; I18-L26 HydrophobicContact CD1-CD2 3.53Å; I18-L26 HydrophobicContact CG2-CD2 4.5Å; I18-V51 HydrophobicContact CD1-CG2 4.01Å; I18-H55 PolarHBondContact O-CE1 2.95Å
19P91.3Very high88.7Confident89 Ų8971 Ų7158%0.57838%0.379SS*.  trans-66.2140.2177.224.5-31000110.8A21 A22P19-A21 PolarHBondContact O-N 2.76Å; P19-A22 HydrophobicContact CG-CB 4.07Å; P19-A22 WeakPolarHBondContact O-CB 3.33Å; P19-A22 PolarHBondContact O-N 3.02Å
20K88.1Confident88.9Confident121 Ų12165.6 Ų65.653%0.52635%0.353SS..Hα-helixtrans-53.6-34.3-175.1-67.5-177.4177.2-173.70114.3A22 I23 F58K20-A22 PolarHBondContact O-N 3.31Å; K20-I23 HydrophobicContact CB-CD1 4.22Å; K20-I23 HydrophobicContact CG-CD1 4.2Å; K20-I23 PolarHBondContact O-N 2.93Å; K20-F58 HydrophobicContact CB-CD2 3.99Å; K20-F58 HydrophobicContact CB-CE2 4.01Å; K20-F58 HydrophobicContact CD-CD2 4Å; K20-F58 HydrophobicContact CG-CD2 4.18Å
21A88Confident88.7Confident93 Ų9361.7 Ų61.777%0.76933%0.333SS*.Hα-helixtrans-65.3-23.8177.900000114P19P19-A21 PolarHBondContact O-N 2.76Å
22A90Very high88.7Confident39 Ų3965.2 Ų65.232%0.32235%0.352SS..Hα-helixtrans-93-10-178.600000113.3I18 P19 K20 P25 L26I18-A22 HydrophobicContact CG2-CB 4.18Å; P19-A22 HydrophobicContact CG-CB 4.07Å; P19-A22 WeakPolarHBondContact O-CB 3.33Å; P19-A22 PolarHBondContact O-N 3.02Å; K20-A22 PolarHBondContact O-N 3.31Å; A22-P25 WeakPolarHBondContact O-CD 3.47Å; A22-L26 WeakPolarHBondContact O-CB 3.27Å; A22-L26 PolarHBondContact O-N 3.43Å
23I89.9Confident88.6Confident0 Ų061.9 Ų61.90%034%0.342CS..Hα-helixtrans-63.8-52.5-173.2-62.9171.6000111.3I18 K20 L26 I27 V51 H55 F58 F59I18-I23 HydrophobicContact CG2-CG1 4.25Å; K20-I23 HydrophobicContact CB-CD1 4.22Å; K20-I23 HydrophobicContact CG-CD1 4.2Å; K20-I23 PolarHBondContact O-N 2.93Å; I23-L26 WeakPolarHBondContact O-CB 3.44Å; I23-L26 PolarHBondContact O-N 3.23Å; I23-I27 HydrophobicContact CG2-CD1 3.68Å; I23-I27 HydrophobicContact CG2-CG1 4.33Å; I23-I27 WeakPolarHBondContact O-CB 3.47Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.45Å; I23-I27 PolarHBondContact O-N 3.35Å; I23-V51 HydrophobicContact CG2-CG1 4.33Å; I23-H55 HydrophobicContact CD1-CB 3.56Å; I23-H55 WeakPolarHBondContact CD1-ND1 3.48Å; I23-F58 HydrophobicContact CB-CE1 4.27Å; I23-F58 HydrophobicContact CD1-CB 4.49Å; I23-F58 HydrophobicContact CD1-CD1 3.95Å; I23-F58 HydrophobicContact CD1-CE1 4.33Å; I23-F58 HydrophobicContact CD1-CG 4.18Å; I23-F58 HydrophobicContact CG2-CD1 4.39Å; I23-F58 HydrophobicContact CG2-CE1 4.36Å; I23-F59 HydrophobicContact CG2-CE1 4.37Å; I23-F59 HydrophobicContact CG2-CE2 4.2Å; I23-F59 HydrophobicContact CG2-CZ 3.52Å
24L87.9Confident88.2Confident36 Ų3654.5 Ų54.519%0.18832%0.315CS..Hα-helixtrans-61.7-48.5-179-69167.1000112.2L26 I27 S28 F58 F59 H65 E68 V69L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.94Å; L24-I27 PolarHBondContact O-N 3.49Å; L24-S28 PolarHBondContact O-N 3.46Å; L24-F58 HydrophobicContact CD1-CE1 4.46Å; L24-F58 HydrophobicContact CD1-CZ 4.37Å; L24-F58 HydrophobicContact CG-CE1 4.14Å; L24-F58 HydrophobicContact CG-CZ 4.47Å; L24-F59 HydrophobicContact CD2-CE1 4.38Å; L24-H65 WeakPolarHBondContact CD1-ND1 3.42Å; L24-H65 HydrophobicContact CD2-CB 4.28Å; L24-E68 WeakPolarHBondContact CD1-OE2 3.48Å; L24-E68 HydrophobicContact CD2-CB 4.24Å; L24-V69 HydrophobicContact CD2-CG2 3.82Å
25P90.1Very high87.7Confident83 Ų8356.8 Ų56.854%0.53932%0.315SS..Hα-helixtrans-56.3-40.7172.6-2632.4000113.7A22 S28 L29A22-P25 WeakPolarHBondContact O-CD 3.47Å; P25-S28 PolarHBondContact O-N 3.39Å; P25-L29 PolarHBondContact O-N 2.82Å
26L90Very high87.4Confident42 Ų4259.2 Ų59.222%0.2233%0.332CS..Hα-helixtrans-66.2-42179.7-176.173.5000111.6I18 A22 I23 L24 L29 F30 V51I18-L26 HydrophobicContact CD1-CD2 3.53Å; I18-L26 HydrophobicContact CG2-CD2 4.5Å; A22-L26 WeakPolarHBondContact O-CB 3.27Å; A22-L26 PolarHBondContact O-N 3.43Å; I23-L26 WeakPolarHBondContact O-CB 3.44Å; I23-L26 PolarHBondContact O-N 3.23Å; L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.94Å; L26-L29 WeakPolarHBondContact O-CB 3.42Å; L26-L29 PolarHBondContact O-N 3.43Å; L26-F30 HydrophobicContact CD1-CE1 4.19Å; L26-F30 HydrophobicContact CD1-CZ 3.96Å; L26-F30 HydrophobicContact CD2-CE2 3.96Å; L26-F30 HydrophobicContact CD2-CZ 3.92Å; L26-F30 HydrophobicContact CG-CD2 4.45Å; L26-F30 HydrophobicContact CG-CE1 4.29Å; L26-F30 HydrophobicContact CG-CE2 3.8Å; L26-F30 HydrophobicContact CG-CZ 3.7Å; L26-F30 WeakPolarHBondContact O-CG 3.39Å; L26-F30 PolarHBondContact O-N 3.31Å; L26-V51 HydrophobicContact CD2-CG1 4.47Å; L26-V51 HydrophobicContact CD2-CG2 4.18Å
27I88.6Confident86.7Confident2 Ų260 Ų601%0.0134%0.34CS..Hα-helixtrans-66.1-42.5177.7-71.1178.6000110.3I23 L24 L29 F30 A31 L48 V51 L52 F59 V69 I72I23-I27 HydrophobicContact CG2-CD1 3.68Å; I23-I27 HydrophobicContact CG2-CG1 4.33Å; I23-I27 WeakPolarHBondContact O-CB 3.47Å; I23-I27 VanDerWaalsContact O-CG1 3.29Å; I23-I27 WeakPolarHBondContact O-CG1 3.45Å; I23-I27 PolarHBondContact O-N 3.35Å; L24-I27 PolarHBondContact O-N 3.49Å; I27-L29 VanDerWaalsContact C-N 3.27Å; I27-L29 PolarHBondContact O-N 3.45Å; I27-F30 WeakPolarHBondContact O-CA 3.24Å; I27-F30 WeakPolarHBondContact O-CB 3.43Å; I27-F30 PolarHBondContact O-N 3.25Å; I27-A31 PolarHBondContact O-N 3.18Å; I27-L48 HydrophobicContact CG1-CD1 4.47Å; I27-L48 HydrophobicContact CG2-CD1 4.42Å; I27-V51 HydrophobicContact CD1-CG1 4.43Å; I27-V51 HydrophobicContact CG1-CG1 4.43Å; I27-L52 HydrophobicContact CD1-CD2 4.01Å; I27-F59 HydrophobicContact CD1-CE1 4.08Å; I27-F59 HydrophobicContact CD1-CE2 4.38Å; I27-F59 HydrophobicContact CD1-CZ 3.43Å; I27-F59 VanDerWaalsContact CD1-CZ 3.43Å; I27-V69 HydrophobicContact CB-CG2 4.42Å; I27-V69 HydrophobicContact CD1-CG2 4.06Å; I27-V69 HydrophobicContact CG2-CB 4.15Å; I27-V69 HydrophobicContact CG2-CG1 3.57Å; I27-V69 HydrophobicContact CG2-CG2 3.73Å; I27-I72 HydrophobicContact CB-CD1 4.42Å; I27-I72 HydrophobicContact CG2-CD1 3.19Å; I27-I72 HydrophobicContact CG2-CG1 4.41Å; I27-I72 WeakPolarHBondContact O-CD1 3.44Å
28S86.7Confident86Confident67 Ų6760 Ų6047%0.46934%0.34SS..Hα-helixtrans-56.5-42.5171.6-1730000111.8L24 P25 F30 A31 D32L24-S28 PolarHBondContact O-N 3.46Å; P25-S28 PolarHBondContact O-N 3.39Å; S28-F30 VanDerWaalsContact C-N 3.31Å; S28-F30 PolarHBondContact O-N 3.01Å; S28-A31 VanDerWaalsContact O-CB 3.28Å; S28-A31 WeakPolarHBondContact O-CB 3.32Å; S28-A31 PolarHBondContact O-N 3.38Å; S28-A31 VanDerWaalsContact O-N 3.12Å; S28-D32 PolarHBondContact O-N 3.39Å
29L87.5Confident85.5Confident81 Ų8159.9 Ų59.942%0.42434%0.341SS..Hα-helixtrans-62.5-38.4175.7-174.273.7000111.8P25 L26 I27 A31 D32 H33P25-L29 PolarHBondContact O-N 2.82Å; L26-L29 WeakPolarHBondContact O-CB 3.42Å; L26-L29 PolarHBondContact O-N 3.43Å; I27-L29 VanDerWaalsContact C-N 3.27Å; I27-L29 PolarHBondContact O-N 3.45Å; L29-A31 VanDerWaalsContact C-N 3.35Å; L29-D32 PolarHBondContact O-N 3.17Å; L29-H33 PolarHBondContact O-CD2 3.4Å; L29-H33 VanDerWaalsContact O-CD2 3.31Å; L29-H33 PolarHBondContact O-N 2.89Å
30F87.8Confident85.1Confident5 Ų560.1 Ų60.12%0.02234%0.342CS..Hα-helixtrans-64.8-39.2172.8-63.8-29.3000111.9L3 L26 I27 S28 D32 H33 L34 L44 W47 L48 V51L3-F30 HydrophobicContact CD2-CE1 4.46Å; L26-F30 HydrophobicContact CD1-CE1 4.19Å; L26-F30 HydrophobicContact CD1-CZ 3.96Å; L26-F30 HydrophobicContact CD2-CE2 3.96Å; L26-F30 HydrophobicContact CD2-CZ 3.92Å; L26-F30 HydrophobicContact CG-CD2 4.45Å; L26-F30 HydrophobicContact CG-CE1 4.29Å; L26-F30 HydrophobicContact CG-CE2 3.8Å; L26-F30 HydrophobicContact CG-CZ 3.7Å; L26-F30 WeakPolarHBondContact O-CG 3.39Å; L26-F30 PolarHBondContact O-N 3.31Å; I27-F30 WeakPolarHBondContact O-CA 3.24Å; I27-F30 WeakPolarHBondContact O-CB 3.43Å; I27-F30 PolarHBondContact O-N 3.25Å; S28-F30 VanDerWaalsContact C-N 3.31Å; S28-F30 PolarHBondContact O-N 3.01Å; F30-D32 VanDerWaalsContact C-N 3.29Å; F30-D32 PolarHBondContact O-N 2.86Å; F30-H33 PolarHBondContact O-N 3.19Å; F30-L34 WeakPolarHBondContact O-CG 3.21Å; F30-L34 PolarHBondContact O-N 2.82Å; F30-L44 HydrophobicContact CB-CD2 3.84Å; F30-L44 HydrophobicContact CB-CG 4.41Å; F30-L44 HydrophobicContact CD1-CD1 4.32Å; F30-L44 HydrophobicContact CD1-CD2 4.38Å; F30-L44 HydrophobicContact CD1-CG 4.14Å; F30-L44 HydrophobicContact CG-CD2 4.41Å; F30-L44 HydrophobicContact CG-CG 4.47Å; F30-L44 WeakPolarHBondContact O-CD2 3.29Å; F30-W47 HydrophobicContact CE1-CB 4.42Å; F30-W47 HydrophobicContact CE2-CB 4.26Å; F30-W47 HydrophobicContact CZ-CB 3.9Å; F30-W47 HydrophobicContact CZ-CG 4.46Å; F30-L48 HydrophobicContact CD2-CD1 4.04Å; F30-V51 HydrophobicContact CE2-CG2 4.25Å
31A83.4Confident84.8Confident5 Ų557.3 Ų57.34%0.04133%0.328CS..Hα-helixtrans-58.5-44.1174.500000111.4I27 S28 L29 L34 R35 I72I27-A31 PolarHBondContact O-N 3.18Å; S28-A31 VanDerWaalsContact O-CB 3.28Å; S28-A31 WeakPolarHBondContact O-CB 3.32Å; S28-A31 PolarHBondContact O-N 3.38Å; S28-A31 VanDerWaalsContact O-N 3.12Å; L29-A31 VanDerWaalsContact C-N 3.35Å; A31-L34 PolarHBondContact O-N 3.22Å; A31-R35 WeakPolarHBondContact O-CG 3.45Å; A31-R35 PolarHBondContact O-N 2.87Å; A31-I72 HydrophobicContact CB-CD1 4.01Å; A31-I72 HydrophobicContact CB-CG1 3.43Å; A31-I72 VanDerWaalsContact CB-CG1 3.43Å
32D84.8Confident84.4Confident76 Ų7659.3 Ų59.341%0.40633%0.325SS..Hα-helixtrans-66-41.1178.5-68.6-28.8000111.8S28 L29 F30 L34 R35 S36S28-D32 PolarHBondContact O-N 3.39Å; L29-D32 PolarHBondContact O-N 3.17Å; F30-D32 VanDerWaalsContact C-N 3.29Å; F30-D32 PolarHBondContact O-N 2.86Å; D32-L34 PolarHBondContact O-N 3.37Å; D32-R35 WeakPolarHBondContact O-CB 3.47Å; D32-R35 PolarHBondContact O-N 3.41Å; D32-R35 VanDerWaalsContact O-N 3.11Å; D32-R35 IonicContact OD1-NH1 3.67Å; D32-S36 PolarHBondContact O-N 2.85Å; D32-S36 PolarHBondContact O-OG 3.32Å
33H85.7Confident84Confident49 Ų4959 Ų5923%0.22732%0.317CS..Hα-helixtrans-68.1-31.2175.4-75-42.5000113.8L29 F30 R35 D37 V39 L44L29-H33 PolarHBondContact O-CD2 3.4Å; L29-H33 VanDerWaalsContact O-CD2 3.31Å; L29-H33 PolarHBondContact O-N 2.89Å; F30-H33 PolarHBondContact O-N 3.19Å; H33-R35 PolarHBondContact O-N 3.1Å; H33-D37 PolarHBondContact O-N 3.04Å; H33-V39 HydrophobicContact CB-CG2 4.47Å; H33-L44 HydrophobicContact CB-CD1 3.82Å; H33-L44 HydrophobicContact CB-CD2 3.95Å
34L81.9Confident83.9Confident20 Ų2059.1 Ų59.111%0.10532%0.318CS..Hα-helixtrans-66.8-27.1170.8-73.6172.9000112.2F30 A31 D32 R41 L44 I72 F75F30-L34 WeakPolarHBondContact O-CG 3.21Å; F30-L34 PolarHBondContact O-N 2.82Å; A31-L34 PolarHBondContact O-N 3.22Å; D32-L34 PolarHBondContact O-N 3.37Å; L34-R41 HydrophobicContact CD2-CG 4.01Å; L34-L44 HydrophobicContact CB-CD2 4.43Å; L34-L44 HydrophobicContact CD1-CD2 4.28Å; L34-L44 HydrophobicContact CD2-CB 4.27Å; L34-L44 HydrophobicContact CD2-CD2 3.67Å; L34-L44 HydrophobicContact CG-CD2 3.44Å; L34-L44 VanDerWaalsContact CG-CD2 3.44Å; L34-I72 HydrophobicContact CD1-CG2 4.12Å; L34-F75 HydrophobicContact CB-CB 4.04Å; L34-F75 HydrophobicContact CB-CG 4.37Å; L34-F75 HydrophobicContact CD1-CB 3.97Å
35R80.2Confident83.7Confident125 Ų12559.9 Ų59.947%0.47232%0.322SS..Hα-helixtrans-81-36177.7-71169-176.2174.10112.6A31 D32 H33 D71 F75A31-R35 WeakPolarHBondContact O-CG 3.45Å; A31-R35 PolarHBondContact O-N 2.87Å; D32-R35 WeakPolarHBondContact O-CB 3.47Å; D32-R35 PolarHBondContact O-N 3.41Å; D32-R35 VanDerWaalsContact O-N 3.11Å; D32-R35 IonicContact OD1-NH1 3.67Å; H33-R35 PolarHBondContact O-N 3.1Å; R35-D71 IonicContact NH2-OD2 3.97Å; R35-F75 HydrophobicContact CG-CD1 4.16Å; R35-F75 HydrophobicContact CG-CE1 3.48Å; R35-F75 VanDerWaalsContact CG-CE1 3.48Å; R35-F75 HydrophobicContact CG-CE2 4.02Å; R35-F75 HydrophobicContact CG-CZ 3.41Å; R35-F75 VanDerWaalsContact CG-CZ 3.41Å; R35-F75 VanDerWaalsContact NE-CE2 3.35Å
36S81.8Confident83.6Confident51 Ų5157.9 Ų57.936%0.35731%0.306SS..Hα-helixtrans-86.4-14.1-175.166.70000114.1D32 D38D32-S36 PolarHBondContact O-N 2.85Å; D32-S36 PolarHBondContact O-OG 3.32Å; S36-D38 WeakPolarHBondContact CB-OD2 3.45Å; S36-D38 PolarHBondContact O-N 3.06Å; S36-D38 VanDerWaalsContact O-N 3.12Å; S36-D38 PolarHBondContact OG-OD2 3.16Å
37D74.8Confident83.5Confident128 Ų12856.9 Ų56.968%0.68430%0.3SS*.  trans57.920.3-178.2-1221.4000113.5H33 V39H33-D37 PolarHBondContact O-N 3.04Å; D37-V39 VanDerWaalsContact C-N 3.27Å; D37-V39 PolarHBondContact O-N 2.92Å
38D77.3Confident83.5Confident121 Ų12157.2 Ų57.265%0.64730%0.301SS*.  trans-74.2-17.9-177.4-65.3-38.8000113.3S36S36-D38 WeakPolarHBondContact CB-OD2 3.45Å; S36-D38 PolarHBondContact O-N 3.06Å; S36-D38 VanDerWaalsContact O-N 3.12Å; S36-D38 PolarHBondContact OG-OD2 3.16Å
39V79.8Confident83.6Confident25 Ų2560.8 Ų60.815%0.15231%0.308CS..SBendtrans-127.8139.2-174.8-177.30000108.4L3 H33 D37 R41 L44L3-V39 HydrophobicContact CB-CG1 4.2Å; L3-V39 HydrophobicContact CD1-CG1 4.04Å; L3-V39 HydrophobicContact CD1-CG2 4.34Å; H33-V39 HydrophobicContact CB-CG2 4.47Å; D37-V39 VanDerWaalsContact C-N 3.27Å; D37-V39 PolarHBondContact O-N 2.92Å; V39-R41 PolarHBondContact O-N 3.13Å; V39-L44 HydrophobicContact CB-CD1 3.86Å; V39-L44 HydrophobicContact CG1-CD1 3.69Å; V39-L44 HydrophobicContact CG2-CD1 4.34Å
40P82.6Confident83.7Confident93 Ų9357.8 Ų57.860%0.60429%0.292SS*.  trans-53.2117.3177.216.3-29.4000111.2L42 Q43 L44P40-L42 PolarHBondContact O-N 2.88Å; P40-L42 VanDerWaalsContact O-N 3.15Å; P40-Q43 HydrophobicContact CB-CB 4.4Å; P40-Q43 HydrophobicContact CG-CB 4.03Å; P40-Q43 VanDerWaalsContact O-CB 3.26Å; P40-Q43 WeakPolarHBondContact O-CB 3.3Å; P40-Q43 PolarHBondContact O-N 3.03Å; P40-L44 PolarHBondContact O-N 3.46Å
41R81.5Confident83.8Confident63 Ų6357.5 Ų57.524%0.23829%0.291CS..Hα-helixtrans-51-42.5-174.3-176.7171.5-179.3-159.9-2113.2L34 V39 Q43 L44 L45 F75 S78L34-R41 HydrophobicContact CD2-CG 4.01Å; V39-R41 PolarHBondContact O-N 3.13Å; R41-Q43 VanDerWaalsContact C-N 3.27Å; R41-Q43 PolarHBondContact O-N 2.97Å; R41-L44 PolarHBondContact O-N 3.38Å; R41-L44 VanDerWaalsContact O-N 3.14Å; R41-L45 HydrophobicContact CG-CD1 4.03Å; R41-L45 HydrophobicContact CG-CG 4.28Å; R41-L45 VanDerWaalsContact O-CG 3.29Å; R41-L45 WeakPolarHBondContact O-CG 3.44Å; R41-L45 PolarHBondContact O-N 3.07Å; R41-F75 PolarHBondContact NH2-O 2.9Å; R41-S78 PolarHBondContact NH1-O 3.12Å; R41-S78 PolarHBondContact NH2-O 2.84Å; R41-S78 PolarHBondContact NH2-OG 3.19Å
42L80.2Confident84.1Confident134 Ų13460 Ų6070%0.70230%0.303SS*.Hα-helixtrans-56.1-42.6178-164.289.9000112P40 L45 L46P40-L42 PolarHBondContact O-N 2.88Å; P40-L42 VanDerWaalsContact O-N 3.15Å; L42-L45 PolarHBondContact O-N 2.96Å; L42-L46 HydrophobicContact CD2-CD1 4.49Å; L42-L46 WeakPolarHBondContact O-CB 3.48Å; L42-L46 PolarHBondContact O-N 2.89Å
43Q82.7Confident84.2Confident33 Ų3359.5 Ų59.515%0.15431%0.31CS..Hα-helixtrans-66.5-41.9179.9-171.766.14.400110.8L3 P40 R41 L46 W47L3-Q43 WeakPolarHBondContact O-CG 3.47Å; L3-Q43 PolarHBondContact O-NE2 3.37Å; P40-Q43 HydrophobicContact CB-CB 4.4Å; P40-Q43 HydrophobicContact CG-CB 4.03Å; P40-Q43 VanDerWaalsContact O-CB 3.26Å; P40-Q43 WeakPolarHBondContact O-CB 3.3Å; P40-Q43 PolarHBondContact O-N 3.03Å; R41-Q43 VanDerWaalsContact C-N 3.27Å; R41-Q43 PolarHBondContact O-N 2.97Å; Q43-L46 WeakPolarHBondContact O-CB 3.22Å; Q43-L46 PolarHBondContact O-N 3.23Å; Q43-W47 VanDerWaalsContact O-CD1 3.31Å; Q43-W47 PolarHBondContact O-N 3.37Å
44L86.2Confident84.4Confident2 Ų259.1 Ų59.11%0.0132%0.315CS..Hα-helixtrans-65.6-40.8177.8-137.897.1000112L3 F30 H33 L34 V39 P40 R41 L46 W47 L48L3-L44 HydrophobicContact CD1-CD1 3.88Å; F30-L44 HydrophobicContact CB-CD2 3.84Å; F30-L44 HydrophobicContact CB-CG 4.41Å; F30-L44 HydrophobicContact CD1-CD1 4.32Å; F30-L44 HydrophobicContact CD1-CD2 4.38Å; F30-L44 HydrophobicContact CD1-CG 4.14Å; F30-L44 HydrophobicContact CG-CD2 4.41Å; F30-L44 HydrophobicContact CG-CG 4.47Å; F30-L44 WeakPolarHBondContact O-CD2 3.29Å; H33-L44 HydrophobicContact CB-CD1 3.82Å; H33-L44 HydrophobicContact CB-CD2 3.95Å; L34-L44 HydrophobicContact CB-CD2 4.43Å; L34-L44 HydrophobicContact CD1-CD2 4.28Å; L34-L44 HydrophobicContact CD2-CB 4.27Å; L34-L44 HydrophobicContact CD2-CD2 3.67Å; L34-L44 HydrophobicContact CG-CD2 3.44Å; L34-L44 VanDerWaalsContact CG-CD2 3.44Å; V39-L44 HydrophobicContact CB-CD1 3.86Å; V39-L44 HydrophobicContact CG1-CD1 3.69Å; V39-L44 HydrophobicContact CG2-CD1 4.34Å; P40-L44 PolarHBondContact O-N 3.46Å; R41-L44 PolarHBondContact O-N 3.38Å; R41-L44 VanDerWaalsContact O-N 3.14Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.34Å; L44-W47 PolarHBondContact O-N 3.24Å; L44-L48 WeakPolarHBondContact O-CB 3.4Å; L44-L48 PolarHBondContact O-N 2.67Å
45L84.3Confident84.8Confident53 Ų5358.9 Ų58.928%0.27731%0.313SS..Hα-helixtrans-63.9-38175-68.8175.4000112R41 L42 L48 K49 L76R41-L45 HydrophobicContact CG-CD1 4.03Å; R41-L45 HydrophobicContact CG-CG 4.28Å; R41-L45 VanDerWaalsContact O-CG 3.29Å; R41-L45 WeakPolarHBondContact O-CG 3.44Å; R41-L45 PolarHBondContact O-N 3.07Å; L42-L45 PolarHBondContact O-N 2.96Å; L45-L48 PolarHBondContact O-N 2.8Å; L45-K49 VanDerWaalsContact O-CB 3.32Å; L45-K49 WeakPolarHBondContact O-CB 3.47Å; L45-K49 PolarHBondContact O-N 3.18Å; L45-L76 HydrophobicContact CD2-CD2 3.22Å
46L87.5Confident85.1Confident41 Ų4159.1 Ų59.122%0.21532%0.321CS..Hα-helixtrans-60.5-49.1173-101.4151.1000111.4I8 L42 Q43 L44 K49 H50I8-L46 HydrophobicContact CG1-CD2 4.34Å; L42-L46 HydrophobicContact CD2-CD1 4.49Å; L42-L46 WeakPolarHBondContact O-CB 3.48Å; L42-L46 PolarHBondContact O-N 2.89Å; Q43-L46 WeakPolarHBondContact O-CB 3.22Å; Q43-L46 PolarHBondContact O-N 3.23Å; L44-L46 VanDerWaalsContact C-N 3.33Å; L44-L46 PolarHBondContact O-N 3.34Å; L46-K49 PolarHBondContact O-N 2.64Å; L46-H50 PolarHBondContact O-CD2 3.35Å; L46-H50 PolarHBondContact O-N 3.25Å; L46-H50 VanDerWaalsContact O-N 3.1Å
47W89.2Confident85.3Confident21 Ų2162.9 Ų62.98%0.0834%0.338CS..Hα-helixtrans-59.5-47.8175-88.194.9000112L3 P6 I11 V14 F30 Q43 L44 K49 H50 V51L3-W47 HydrophobicContact CD2-CD2 3.97Å; L3-W47 HydrophobicContact CD2-CG 3.66Å; L3-W47 VanDerWaalsContact CD2-NE1 3.26Å; P6-W47 HydrophobicContact CG-CZ2 3.98Å; I11-W47 HydrophobicContact CB-CZ2 4.28Å; I11-W47 HydrophobicContact CG1-CD2 4.46Å; I11-W47 HydrophobicContact CG1-CZ2 3.84Å; I11-W47 HydrophobicContact CG2-CD2 3.63Å; I11-W47 HydrophobicContact CG2-CE3 3.77Å; I11-W47 HydrophobicContact CG2-CG 4.07Å; I11-W47 HydrophobicContact CG2-CH2 4.29Å; I11-W47 HydrophobicContact CG2-CZ2 4.18Å; I11-W47 HydrophobicContact CG2-CZ3 4.09Å; V14-W47 HydrophobicContact CB-CH2 3.79Å; V14-W47 HydrophobicContact CB-CZ3 4.16Å; V14-W47 HydrophobicContact CG1-CH2 3.66Å; V14-W47 HydrophobicContact CG1-CZ3 3.92Å; F30-W47 HydrophobicContact CE1-CB 4.42Å; F30-W47 HydrophobicContact CE2-CB 4.26Å; F30-W47 HydrophobicContact CZ-CB 3.9Å; F30-W47 HydrophobicContact CZ-CG 4.46Å; Q43-W47 VanDerWaalsContact O-CD1 3.31Å; Q43-W47 PolarHBondContact O-N 3.37Å; L44-W47 PolarHBondContact O-N 3.24Å; W47-K49 VanDerWaalsContact C-N 3.34Å; W47-K49 PolarHBondContact O-N 3.14Å; W47-H50 PolarHBondContact O-N 3.21Å; W47-V51 HydrophobicContact CE3-CG2 4.34Å; W47-V51 WeakPolarHBondContact O-CB 3.17Å; W47-V51 VanDerWaalsContact O-CG2 3.31Å; W47-V51 WeakPolarHBondContact O-CG2 3.26Å; W47-V51 PolarHBondContact O-N 3.36Å
48L88.6Confident85.9Confident8 Ų858.4 Ų58.44%0.04231%0.312CS..Hα-helixtrans-58.9-45.8178.9-171.673.8000111.4I27 F30 L44 L45 H50 V51 L52 I72 L76I27-L48 HydrophobicContact CG1-CD1 4.47Å; I27-L48 HydrophobicContact CG2-CD1 4.42Å; F30-L48 HydrophobicContact CD2-CD1 4.04Å; L44-L48 WeakPolarHBondContact O-CB 3.4Å; L44-L48 PolarHBondContact O-N 2.67Å; L45-L48 PolarHBondContact O-N 2.8Å; L48-H50 VanDerWaalsContact C-N 3.35Å; L48-H50 PolarHBondContact O-N 3.02Å; L48-V51 PolarHBondContact O-N 3.2Å; L48-L52 HydrophobicContact CD1-CD1 4.24Å; L48-L52 HydrophobicContact CD1-CG 4.4Å; L48-L52 HydrophobicContact CD2-CD1 4.38Å; L48-L52 HydrophobicContact CG-CD1 3.85Å; L48-L52 HydrophobicContact CG-CG 4.34Å; L48-L52 WeakPolarHBondContact O-CB 3.28Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.23Å; L48-L52 PolarHBondContact O-N 3.41Å; L48-I72 HydrophobicContact CD1-CD1 3.97Å; L48-I72 HydrophobicContact CD2-CG2 3.8Å; L48-L76 HydrophobicContact CD2-CD1 4.24Å; L48-L76 HydrophobicContact CD2-CD2 3.73Å; L48-L76 HydrophobicContact CD2-CG 4.49Å
49K87.9Confident86.2Confident142 Ų14253.7 Ų53.762%0.61729%0.286SS*.Hα-helixtrans-55.3-49.2176175.5-175.8173.9-178.60111.4L45 L46 W47 A53L45-K49 VanDerWaalsContact O-CB 3.32Å; L45-K49 WeakPolarHBondContact O-CB 3.47Å; L45-K49 PolarHBondContact O-N 3.18Å; L46-K49 PolarHBondContact O-N 2.64Å; W47-K49 VanDerWaalsContact C-N 3.34Å; W47-K49 PolarHBondContact O-N 3.14Å; K49-A53 VanDerWaalsContact O-CB 3.23Å; K49-A53 WeakPolarHBondContact O-CB 3.32Å; K49-A53 PolarHBondContact O-N 2.86Å
50H89.9Confident86.4Confident18 Ų1856.7 Ų56.78%0.08331%0.314CS..Hα-helixtrans-72.2-38.2-176.6-75.5-62.3000113.1I11 A15 L46 W47 L48 A53 A54I11-H50 HydrophobicContact CG2-CB 3.99Å; A15-H50 HydrophobicContact CB-CB 4.03Å; L46-H50 PolarHBondContact O-CD2 3.35Å; L46-H50 PolarHBondContact O-N 3.25Å; L46-H50 VanDerWaalsContact O-N 3.1Å; W47-H50 PolarHBondContact O-N 3.21Å; L48-H50 VanDerWaalsContact C-N 3.35Å; L48-H50 PolarHBondContact O-N 3.02Å; H50-A53 PolarHBondContact O-N 3.39Å; H50-A54 VanDerWaalsContact O-CB 3.28Å; H50-A54 WeakPolarHBondContact O-CB 3.43Å; H50-A54 PolarHBondContact O-N 3.17Å
51V90.5Very high86.6Confident0 Ų056.4 Ų56.40%032%0.319CS..Hα-helixtrans-65-45.3175.4172.50000111A15 I18 I23 L26 I27 F30 W47 L48 A54 H55A15-V51 HydrophobicContact CB-CG2 3.94Å; I18-V51 HydrophobicContact CD1-CG2 4.01Å; I23-V51 HydrophobicContact CG2-CG1 4.33Å; L26-V51 HydrophobicContact CD2-CG1 4.47Å; L26-V51 HydrophobicContact CD2-CG2 4.18Å; I27-V51 HydrophobicContact CD1-CG1 4.43Å; I27-V51 HydrophobicContact CG1-CG1 4.43Å; F30-V51 HydrophobicContact CE2-CG2 4.25Å; W47-V51 HydrophobicContact CE3-CG2 4.34Å; W47-V51 WeakPolarHBondContact O-CB 3.17Å; W47-V51 VanDerWaalsContact O-CG2 3.31Å; W47-V51 WeakPolarHBondContact O-CG2 3.26Å; W47-V51 PolarHBondContact O-N 3.36Å; L48-V51 PolarHBondContact O-N 3.2Å; V51-A54 PolarHBondContact O-N 3.47Å; V51-H55 PolarHBondContact O-CD2 3.31Å; V51-H55 VanDerWaalsContact O-CD2 3.3Å; V51-H55 PolarHBondContact O-N 3.31Å; V51-H55 VanDerWaalsContact O-N 3.16Å
52L88.1Confident86.6Confident56 Ų5657 Ų5729%0.29333%0.327SS..Hα-helixtrans-64.1-43.7176.9-70.2175.1000111.5I27 L48 H55 M56 F59I27-L52 HydrophobicContact CD1-CD2 4.01Å; L48-L52 HydrophobicContact CD1-CD1 4.24Å; L48-L52 HydrophobicContact CD1-CG 4.4Å; L48-L52 HydrophobicContact CD2-CD1 4.38Å; L48-L52 HydrophobicContact CG-CD1 3.85Å; L48-L52 HydrophobicContact CG-CG 4.34Å; L48-L52 WeakPolarHBondContact O-CB 3.28Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.23Å; L48-L52 PolarHBondContact O-N 3.41Å; L52-H55 CarbonylContact O-C 3.59Å; L52-H55 PolarHBondContact O-N 3.03Å; L52-M56 VanDerWaalsContact O-CG 3.24Å; L52-M56 WeakPolarHBondContact O-CG 3.29Å; L52-M56 PolarHBondContact O-N 3.15Å; L52-F59 HydrophobicContact CD2-CD2 4.26Å; L52-F59 HydrophobicContact CD2-CE2 3.67Å; L52-F59 HydrophobicContact CD2-CZ 3.9Å
53A88.6Confident86.6Confident67 Ų6755 Ų5555%0.55432%0.324SS*.Hα-helixtrans-62.9-43.4178.700000112.5K49 H50 H55K49-A53 VanDerWaalsContact O-CB 3.23Å; K49-A53 WeakPolarHBondContact O-CB 3.32Å; K49-A53 PolarHBondContact O-N 2.86Å; H50-A53 PolarHBondContact O-N 3.39Å; A53-H55 VanDerWaalsContact C-N 3.3Å; A53-H55 PolarHBondContact O-N 3.38Å
54A89.6Confident86.6Confident40 Ų4058.6 Ų58.633%0.33134%0.344SS..Hα-helixtrans-69.2-28.3-178.800000113.2E16 H50 V51E16-A54 HydrophobicContact CG-CB 3.94Å; H50-A54 VanDerWaalsContact O-CB 3.28Å; H50-A54 WeakPolarHBondContact O-CB 3.43Å; H50-A54 PolarHBondContact O-N 3.17Å; V51-A54 PolarHBondContact O-N 3.47Å
55H89.7Confident86.3Confident15 Ų1559.8 Ų59.87%0.06935%0.35CS..THydrogen-bonded Turntrans-118.424.6-173.8-60.5-74.5000113.6A15 I18 I23 V51 L52 A53 D57 F58 F59A15-H55 PolarHBondContact O-NE2 3.41Å; I18-H55 PolarHBondContact O-CE1 2.95Å; I23-H55 HydrophobicContact CD1-CB 3.56Å; I23-H55 WeakPolarHBondContact CD1-ND1 3.48Å; V51-H55 PolarHBondContact O-CD2 3.31Å; V51-H55 VanDerWaalsContact O-CD2 3.3Å; V51-H55 PolarHBondContact O-N 3.31Å; V51-H55 VanDerWaalsContact O-N 3.16Å; L52-H55 CarbonylContact O-C 3.59Å; L52-H55 PolarHBondContact O-N 3.03Å; A53-H55 VanDerWaalsContact C-N 3.3Å; A53-H55 PolarHBondContact O-N 3.38Å; H55-D57 PolarHBondContact O-N 3.25Å; H55-F58 HydrophobicContact CB-CB 4.32Å; H55-F58 VanDerWaalsContact O-CB 3.28Å; H55-F58 WeakPolarHBondContact O-CB 3.31Å; H55-F58 PolarHBondContact O-N 3.21Å; H55-F59 HydrophobicContact CB-CE2 4.21Å; H55-F59 WeakPolarHBondContact O-CD2 3.18Å; H55-F59 PolarHBondContact O-N 3.5Å
56M85.9Confident85.9Confident130 Ų13060.6 Ų60.664%0.6436%0.357SS*.Hα-helixtrans-51.9-40.7176.7-88.9-118.1-64.200112.6L52 F58 F59 A60L52-M56 VanDerWaalsContact O-CG 3.24Å; L52-M56 WeakPolarHBondContact O-CG 3.29Å; L52-M56 PolarHBondContact O-N 3.15Å; M56-F58 PolarHBondContact O-N 2.75Å; M56-F59 PolarHBondContact O-N 2.92Å; M56-F59 VanDerWaalsContact O-N 3.14Å; M56-A60 WeakPolarHBondContact O-CB 3.37Å; M56-A60 PolarHBondContact O-N 2.92Å
57D86.9Confident85.3Confident131 Ų13161.9 Ų61.970%0.70137%0.374SS*.Hα-helixtrans-60-32178.9-59.9-19000112.7H55 A61H55-D57 PolarHBondContact O-N 3.25Å; D57-A61 VanDerWaalsContact O-CB 3.27Å; D57-A61 WeakPolarHBondContact O-CB 3.28Å; D57-A61 PolarHBondContact O-N 3.4Å
58F86.8Confident84.6Confident33 Ų3366.7 Ų66.715%0.14540%0.397CS..Hα-helixtrans-69.6-42.1178174.6-103.8000111.5K20 I23 L24 H55 M56 H65K20-F58 HydrophobicContact CB-CD2 3.99Å; K20-F58 HydrophobicContact CB-CE2 4.01Å; K20-F58 HydrophobicContact CD-CD2 4Å; K20-F58 HydrophobicContact CG-CD2 4.18Å; I23-F58 HydrophobicContact CB-CE1 4.27Å; I23-F58 HydrophobicContact CD1-CB 4.49Å; I23-F58 HydrophobicContact CD1-CD1 3.95Å; I23-F58 HydrophobicContact CD1-CE1 4.33Å; I23-F58 HydrophobicContact CD1-CG 4.18Å; I23-F58 HydrophobicContact CG2-CD1 4.39Å; I23-F58 HydrophobicContact CG2-CE1 4.36Å; L24-F58 HydrophobicContact CD1-CE1 4.46Å; L24-F58 HydrophobicContact CD1-CZ 4.37Å; L24-F58 HydrophobicContact CG-CE1 4.14Å; L24-F58 HydrophobicContact CG-CZ 4.47Å; H55-F58 HydrophobicContact CB-CB 4.32Å; H55-F58 VanDerWaalsContact O-CB 3.28Å; H55-F58 WeakPolarHBondContact O-CB 3.31Å; H55-F58 PolarHBondContact O-N 3.21Å; M56-F58 PolarHBondContact O-N 2.75Å; F58-H65 AromaticContact CE1-CE1 3.8Å; F58-H65 AromaticContact CE1-ND1 3.14Å; F58-H65 WeakPolarHBondContact CE1-ND1 3.3Å; F58-H65 AromaticContact CE2-CE1 3.81Å; F58-H65 AromaticContact CE2-ND1 3.96Å; F58-H65 AromaticContact CZ-CE1 3.26Å; F58-H65 WeakPolarHBondContact CZ-CE1 3.38Å; F58-H65 AromaticContact CZ-ND1 3.13Å; F58-H65 WeakPolarHBondContact CZ-ND1 3.24Å
59F83.5Confident84.1Confident22 Ų2267 Ų6710%0.09640%0.399CS..Hα-helixtrans-72.4-37.3175.8-60.4-70.8000112.2I23 L24 I27 L52 H55 M56 A61 N62 H65 V69I23-F59 HydrophobicContact CG2-CE1 4.37Å; I23-F59 HydrophobicContact CG2-CE2 4.2Å; I23-F59 HydrophobicContact CG2-CZ 3.52Å; L24-F59 HydrophobicContact CD2-CE1 4.38Å; I27-F59 HydrophobicContact CD1-CE1 4.08Å; I27-F59 HydrophobicContact CD1-CE2 4.38Å; I27-F59 HydrophobicContact CD1-CZ 3.43Å; I27-F59 VanDerWaalsContact CD1-CZ 3.43Å; L52-F59 HydrophobicContact CD2-CD2 4.26Å; L52-F59 HydrophobicContact CD2-CE2 3.67Å; L52-F59 HydrophobicContact CD2-CZ 3.9Å; H55-F59 HydrophobicContact CB-CE2 4.21Å; H55-F59 WeakPolarHBondContact O-CD2 3.18Å; H55-F59 PolarHBondContact O-N 3.5Å; M56-F59 PolarHBondContact O-N 2.92Å; M56-F59 VanDerWaalsContact O-N 3.14Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.16Å; F59-N62 PolarHBondContact O-N 3.35Å; F59-H65 HydrophobicContact CD1-CB 4Å; F59-V69 HydrophobicContact CE1-CG2 3.82Å
60A84.4Confident83.5Confident89 Ų8962 Ų6274%0.73638%0.384SS*.Hα-helixtrans-66.5-32.4177.600000112.3M56 N62M56-A60 WeakPolarHBondContact O-CB 3.37Å; M56-A60 PolarHBondContact O-N 2.92Å; A60-N62 VanDerWaalsContact C-N 3.28Å; A60-N62 PolarHBondContact O-N 3.43Å
61A85.8Confident82.7Confident86 Ų8665.8 Ų65.871%0.71141%0.405SS*.Hα-helixtrans-69.1-23.8-179.600000113.7D57 F59D57-A61 VanDerWaalsContact O-CB 3.27Å; D57-A61 WeakPolarHBondContact O-CB 3.28Å; D57-A61 PolarHBondContact O-N 3.4Å; F59-A61 VanDerWaalsContact C-N 3.3Å; F59-A61 PolarHBondContact O-N 3.16Å
62N83.1Confident82.1Confident76 Ų7666 Ų6641%0.40641%0.406SS..  trans-151.4102.3-169.8-152.2-11.2000111.7F59 A60 N64 H65F59-N62 PolarHBondContact O-N 3.35Å; A60-N62 VanDerWaalsContact C-N 3.28Å; A60-N62 PolarHBondContact O-N 3.43Å; N62-N64 PolarHBondContact O-N 2.96Å; N62-H65 VanDerWaalsContact CB-CD2 3.42Å; N62-H65 WeakPolarHBondContact CB-CD2 3.25Å; N62-H65 PolarHBondContact ND2-NE2 3.48Å; N62-H65 WeakPolarHBondContact O-CB 3.4Å; N62-H65 PolarHBondContact O-CD2 3.22Å; N62-H65 PolarHBondContact O-N 2.92Å
63S79Confident81.4Confident92 Ų9268.6 Ų68.664%0.64342%0.415SS*.THydrogen-bonded Turntrans-59-25.9-171.756.30000114.5H65 V66S63-H65 PolarHBondContact O-N 2.95Å; S63-V66 PolarHBondContact O-N 3.47Å
64N83.2Confident80.7Confident108 Ų10869.2 Ų69.258%0.57841%0.413SS*.Hα-helixtrans-64.4-26.5178.5-65.3-12.2000112.4N62 V66 A67 E68N62-N64 PolarHBondContact O-N 2.96Å; N64-V66 VanDerWaalsContact C-N 3.27Å; N64-V66 PolarHBondContact O-N 3.1Å; N64-A67 WeakPolarHBondContact O-CB 3.33Å; N64-A67 PolarHBondContact O-N 3.18Å; N64-E68 PolarHBondContact O-N 2.78Å
65H80Confident79.9Confident27 Ų2769.8 Ų69.813%0.12541%0.409CS..Hα-helixtrans-68.7-31.2179.6-67.5-120.2000111.2L24 F58 F59 N62 S63 A67 E68 V69L24-H65 WeakPolarHBondContact CD1-ND1 3.42Å; L24-H65 HydrophobicContact CD2-CB 4.28Å; F58-H65 AromaticContact CE1-CE1 3.8Å; F58-H65 AromaticContact CE1-ND1 3.14Å; F58-H65 WeakPolarHBondContact CE1-ND1 3.3Å; F58-H65 AromaticContact CE2-CE1 3.81Å; F58-H65 AromaticContact CE2-ND1 3.96Å; F58-H65 AromaticContact CZ-CE1 3.26Å; F58-H65 WeakPolarHBondContact CZ-CE1 3.38Å; F58-H65 AromaticContact CZ-ND1 3.13Å; F58-H65 WeakPolarHBondContact CZ-ND1 3.24Å; F59-H65 HydrophobicContact CD1-CB 4Å; N62-H65 VanDerWaalsContact CB-CD2 3.42Å; N62-H65 WeakPolarHBondContact CB-CD2 3.25Å; N62-H65 PolarHBondContact ND2-NE2 3.48Å; N62-H65 WeakPolarHBondContact O-CB 3.4Å; N62-H65 PolarHBondContact O-CD2 3.22Å; N62-H65 PolarHBondContact O-N 2.92Å; S63-H65 PolarHBondContact O-N 2.95Å; H65-A67 VanDerWaalsContact C-N 3.32Å; H65-E68 PolarHBondContact O-N 3.3Å; H65-V69 WeakPolarHBondContact O-CG2 3.29Å; H65-V69 PolarHBondContact O-N 3.41Å; H65-V69 VanDerWaalsContact O-N 3.15Å
66V75.2Confident78.9Confident70 Ų7071.5 Ų71.542%0.42442%0.418SS..Hα-helixtrans-67.2-37.2175.3-177.10000110.8S63 N64 V69 A70S63-V66 PolarHBondContact O-N 3.47Å; N64-V66 VanDerWaalsContact C-N 3.27Å; N64-V66 PolarHBondContact O-N 3.1Å; V66-V69 PolarHBondContact O-N 3.05Å; V66-A70 PolarHBondContact O-N 3.43Å
67A75.7Confident78Confident69 Ų6969.8 Ų69.857%0.5742%0.419SS*.Hα-helixtrans-66.4-38.2176.500000111.9N64 H65 V69 A70N64-A67 WeakPolarHBondContact O-CB 3.33Å; N64-A67 PolarHBondContact O-N 3.18Å; H65-A67 VanDerWaalsContact C-N 3.32Å; A67-V69 VanDerWaalsContact C-N 3.33Å; A67-V69 PolarHBondContact O-N 3.5Å; A67-A70 VanDerWaalsContact O-CB 3.25Å; A67-A70 WeakPolarHBondContact O-CB 3.5Å; A67-A70 PolarHBondContact O-N 2.89Å
68E75Confident76.9Confident122 Ų12265.4 Ų65.457%0.5740%0.399SS*.Hα-helixtrans-68.7-31177-70.8-179.7-171.100112.9L24 N64 H65 A70L24-E68 WeakPolarHBondContact CD1-OE2 3.48Å; L24-E68 HydrophobicContact CD2-CB 4.24Å; N64-E68 PolarHBondContact O-N 2.78Å; H65-E68 PolarHBondContact O-N 3.3Å; E68-A70 VanDerWaalsContact C-N 3.33Å
69V78Confident75.6Confident13 Ų1370.7 Ų70.78%0.07943%0.428CS..Hα-helixtrans-84.9-10.4175.7177.10000112.2L24 I27 F59 H65 V66 A67 D71 I72L24-V69 HydrophobicContact CD2-CG2 3.82Å; I27-V69 HydrophobicContact CB-CG2 4.42Å; I27-V69 HydrophobicContact CD1-CG2 4.06Å; I27-V69 HydrophobicContact CG2-CB 4.15Å; I27-V69 HydrophobicContact CG2-CG1 3.57Å; I27-V69 HydrophobicContact CG2-CG2 3.73Å; F59-V69 HydrophobicContact CE1-CG2 3.82Å; H65-V69 WeakPolarHBondContact O-CG2 3.29Å; H65-V69 PolarHBondContact O-N 3.41Å; H65-V69 VanDerWaalsContact O-N 3.15Å; V66-V69 PolarHBondContact O-N 3.05Å; A67-V69 VanDerWaalsContact C-N 3.33Å; A67-V69 PolarHBondContact O-N 3.5Å; V69-D71 PolarHBondContact O-N 3.33Å; V69-I72 HydrophobicContact CG1-CD1 4.41Å; V69-I72 PolarHBondContact O-N 3.36Å
70A74.3Confident74.5Confident37 Ų3775.7 Ų75.731%0.30646%0.455SS..G310 helixtrans-61.5-24.7-173.700000113.6V66 A67 E68 I72 F73V66-A70 PolarHBondContact O-N 3.43Å; A67-A70 VanDerWaalsContact O-CB 3.25Å; A67-A70 WeakPolarHBondContact O-CB 3.5Å; A67-A70 PolarHBondContact O-N 2.89Å; E68-A70 VanDerWaalsContact C-N 3.33Å; A70-I72 PolarHBondContact O-N 3.41Å; A70-F73 VanDerWaalsContact CA-CD2 3.46Å; A70-F73 HydrophobicContact CB-CD2 4Å; A70-F73 HydrophobicContact CB-CE2 4.2Å; A70-F73 WeakPolarHBondContact O-CD2 3.18Å; A70-F73 PolarHBondContact O-N 3.43Å
71D72.7Confident73.5Confident99 Ų9975.3 Ų75.353%0.52945%0.446SS..G310 helixtrans-58-18.3175.8-82.38.3000113.8R35 V69 F75R35-D71 IonicContact NH2-OD2 3.97Å; V69-D71 PolarHBondContact O-N 3.33Å; D71-F75 VanDerWaalsContact O-CD2 3.23Å; D71-F75 WeakPolarHBondContact O-CD2 3.37Å; D71-F75 WeakPolarHBondContact O-CE2 3.41Å
72I77.8Confident72.7Confident4 Ų474.6 Ų74.62%0.02144%0.435CS..G310 helixtrans-82.4-29.7176.9-70.4179.9000112.9I27 A31 L34 L48 V69 A70 P74 F75 L76I27-I72 HydrophobicContact CB-CD1 4.42Å; I27-I72 HydrophobicContact CG2-CD1 3.19Å; I27-I72 HydrophobicContact CG2-CG1 4.41Å; I27-I72 WeakPolarHBondContact O-CD1 3.44Å; A31-I72 HydrophobicContact CB-CD1 4.01Å; A31-I72 HydrophobicContact CB-CG1 3.43Å; A31-I72 VanDerWaalsContact CB-CG1 3.43Å; L34-I72 HydrophobicContact CD1-CG2 4.12Å; L48-I72 HydrophobicContact CD1-CD1 3.97Å; L48-I72 HydrophobicContact CD2-CG2 3.8Å; V69-I72 HydrophobicContact CG1-CD1 4.41Å; V69-I72 PolarHBondContact O-N 3.36Å; A70-I72 PolarHBondContact O-N 3.41Å; I72-P74 VanDerWaalsContact C-CD 3.41Å; I72-F75 PolarHBondContact O-N 2.86Å; I72-L76 HydrophobicContact CG2-CD1 3.86Å; I72-L76 HydrophobicContact CG2-CD2 4.07Å; I72-L76 HydrophobicContact CG2-CG 3.73Å; I72-L76 PolarHBondContact O-N 3.14Å
73F74.4Confident71.9Confident110 Ų11077 Ų7748%0.48245%0.448SS..Hα-helixtrans-56.3-38.7-172.4-69.2-59.1000114.9A70 F75 L76 S77A70-F73 VanDerWaalsContact CA-CD2 3.46Å; A70-F73 HydrophobicContact CB-CD2 4Å; A70-F73 HydrophobicContact CB-CE2 4.2Å; A70-F73 WeakPolarHBondContact O-CD2 3.18Å; A70-F73 PolarHBondContact O-N 3.43Å; F73-F75 PolarHBondContact O-N 2.86Å; F73-L76 HydrophobicContact CD1-CD1 4Å; F73-L76 HydrophobicContact CE1-CD1 4.43Å; F73-L76 PolarHBondContact O-N 3.31Å; F73-S77 PolarHBondContact O-N 3.44Å; F73-S77 PolarHBondContact O-OG 3.01Å
74P73.6Confident71.7Confident80 Ų8078.4 Ų78.452%0.51944%0.444SS..Hα-helixtrans-57.4-36.6174.6-25.535.5000113I72 S77 S78I72-P74 VanDerWaalsContact C-CD 3.41Å; P74-S77 PolarHBondContact O-N 3.08Å; P74-S78 PolarHBondContact O-N 3.38Å
75F71.9Confident71.1Confident52 Ų5275.7 Ų75.723%0.22843%0.433CS..Hα-helixtrans-84.4-14.2-177.8-52.5-78.3000113.4L34 R35 R41 D71 I72 F73 S77 S78L34-F75 HydrophobicContact CB-CB 4.04Å; L34-F75 HydrophobicContact CB-CG 4.37Å; L34-F75 HydrophobicContact CD1-CB 3.97Å; R35-F75 HydrophobicContact CG-CD1 4.16Å; R35-F75 HydrophobicContact CG-CE1 3.48Å; R35-F75 VanDerWaalsContact CG-CE1 3.48Å; R35-F75 HydrophobicContact CG-CE2 4.02Å; R35-F75 HydrophobicContact CG-CZ 3.41Å; R35-F75 VanDerWaalsContact CG-CZ 3.41Å; R35-F75 VanDerWaalsContact NE-CE2 3.35Å; R41-F75 PolarHBondContact NH2-O 2.9Å; D71-F75 VanDerWaalsContact O-CD2 3.23Å; D71-F75 WeakPolarHBondContact O-CD2 3.37Å; D71-F75 WeakPolarHBondContact O-CE2 3.41Å; I72-F75 PolarHBondContact O-N 2.86Å; F73-F75 PolarHBondContact O-N 2.86Å; F75-S77 VanDerWaalsContact C-N 3.33Å; F75-S78 PolarHBondContact O-OG 2.85Å
76L70.2Confident70.8Confident51 Ų5177 Ų7727%0.26744%0.443SS..Hα-helixtrans-77.8-28168-63.1178000111.4L45 L48 I72 F73L45-L76 HydrophobicContact CD2-CD2 3.22Å; L48-L76 HydrophobicContact CD2-CD1 4.24Å; L48-L76 HydrophobicContact CD2-CD2 3.73Å; L48-L76 HydrophobicContact CD2-CG 4.49Å; I72-L76 HydrophobicContact CG2-CD1 3.86Å; I72-L76 HydrophobicContact CG2-CD2 4.07Å; I72-L76 HydrophobicContact CG2-CG 3.73Å; I72-L76 PolarHBondContact O-N 3.14Å; F73-L76 HydrophobicContact CD1-CD1 4Å; F73-L76 HydrophobicContact CE1-CD1 4.43Å; F73-L76 PolarHBondContact O-N 3.31Å
77S65.6Low70.8Confident94 Ų9478.9 Ų78.966%0.65744%0.443SS*.Hα-helixtrans-91-19.7-173.4-45.60000113F73 P74 F75F73-S77 PolarHBondContact O-N 3.44Å; F73-S77 PolarHBondContact O-OG 3.01Å; P74-S77 PolarHBondContact O-N 3.08Å; F75-S77 VanDerWaalsContact C-N 3.33Å
78S64.3Low70.8Confident40 Ų4081.2 Ų81.228%0.2844%0.44SS..THydrogen-bonded Turntrans-74.1137.6-175.958.60000112.2R41 P74 F75 L80R41-S78 PolarHBondContact NH1-O 3.12Å; R41-S78 PolarHBondContact NH2-O 2.84Å; R41-S78 PolarHBondContact NH2-OG 3.19Å; P74-S78 PolarHBondContact O-N 3.38Å; F75-S78 PolarHBondContact O-OG 2.85Å; S78-L80 VanDerWaalsContact C-N 3.28Å; S78-L80 PolarHBondContact O-N 3.14Å
79D60.8Low70.8Confident144 Ų14480 Ų8077%0.7744%0.437SS*.THydrogen-bonded Turntrans54.930164.7-50.2-34.4000117.3P81D79-P81 VanDerWaalsContact O-CD 3.29Å; D79-P81 WeakPolarHBondContact O-CD 3.48Å
80L59.6Low70.8Confident126 Ų12682.2 Ų82.266%0.6645%0.451SS*.  trans-76.8114.4157.7-78.8160.8000106.8S78 S82S78-L80 VanDerWaalsContact C-N 3.28Å; S78-L80 PolarHBondContact O-N 3.14Å; L80-S82 PolarHBondContact O-N 3.22Å
81P62.6Low70.9Confident82 Ų8281.7 Ų81.753%0.53245%0.449SS..  trans-53.6138.7173.122.1-31.8000108.2D79 L83 V86D79-P81 VanDerWaalsContact O-CD 3.29Å; D79-P81 WeakPolarHBondContact O-CD 3.48Å; P81-L83 PolarHBondContact O-N 3.44Å; P81-V86 HydrophobicContact CB-CG2 3.75Å; P81-V86 HydrophobicContact CG-CG2 3.48Å; P81-V86 VanDerWaalsContact CG-CG2 3.48Å
82S69.3Low71Confident70 Ų7085.1 Ų85.149%0.4945%0.454SS..  trans-51.8135.4-178.468.90000108.4L80 E84 S85 V86L80-S82 PolarHBondContact O-N 3.22Å; S82-E84 PolarHBondContact O-N 2.83Å; S82-E84 VanDerWaalsContact O-N 3.07Å; S82-S85 PolarHBondContact N-OG 3.42Å; S82-S85 WeakPolarHBondContact O-CA 3.41Å; S82-S85 WeakPolarHBondContact O-CB 3.48Å; S82-S85 PolarHBondContact O-N 2.83Å; S82-S85 PolarHBondContact O-OG 2.96Å; S82-S85 VanDerWaalsContact OG-CB 3.3Å; S82-S85 WeakPolarHBondContact OG-CB 3.12Å; S82-S85 PolarHBondContact OG-N 3.28Å; S82-S85 PolarHBondContact OG-OG 3.43Å; S82-V86 PolarHBondContact O-N 3.05Å; S82-V86 VanDerWaalsContact O-N 3.14Å
83L67.3Low70.8Confident128 Ų12890.8 Ų90.867%0.6748%0.479SS*.Hα-helixtrans-50.8-41.3-177.6-169.672.1000109.8P81 S85 V86 W87P81-L83 PolarHBondContact O-N 3.44Å; L83-S85 PolarHBondContact O-N 3.19Å; L83-V86 PolarHBondContact O-N 3.17Å; L83-W87 WeakPolarHBondContact O-CB 3.42Å; L83-W87 PolarHBondContact O-N 2.67Å
84E74.4Confident70.7Confident120 Ų12089.5 Ų89.556%0.56147%0.474SS*.Hα-helixtrans-54-44.8173.1-167.3-170166.400114.1S82 W87 K88S82-E84 PolarHBondContact O-N 2.83Å; S82-E84 VanDerWaalsContact O-N 3.07Å; E84-W87 PolarHBondContact O-N 3.26Å; E84-K88 HydrophobicContact CG-CD 4.5Å; E84-K88 WeakPolarHBondContact O-CB 3.27Å; E84-K88 WeakPolarHBondContact O-CG 3.4Å; E84-K88 PolarHBondContact O-N 2.97Å; E84-K88 WeakPolarHBondContact OE1-CE 3.12Å; E84-K88 IonicContact OE1-NZ 2.64Å; E84-K88 PolarHBondContact OE1-NZ 3.37Å
85S71.4Confident70.5Confident51 Ų5189.9 Ų89.936%0.35747%0.472SS..Hα-helixtrans-66.7-39.9179.267.90000112.5S82 L83 L89S82-S85 PolarHBondContact N-OG 3.42Å; S82-S85 WeakPolarHBondContact O-CA 3.41Å; S82-S85 WeakPolarHBondContact O-CB 3.48Å; S82-S85 PolarHBondContact O-N 2.83Å; S82-S85 PolarHBondContact O-OG 2.96Å; S82-S85 VanDerWaalsContact OG-CB 3.3Å; S82-S85 WeakPolarHBondContact OG-CB 3.12Å; S82-S85 PolarHBondContact OG-N 3.28Å; S82-S85 PolarHBondContact OG-OG 3.43Å; L83-S85 PolarHBondContact O-N 3.19Å; S85-L89 PolarHBondContact O-N 3.25Å
86V73.4Confident70.3Confident56 Ų5693 Ų9334%0.33949%0.49SS..Hα-helixtrans-64-44.7174.5-178.90000110P81 S82 L83 L89 V90P81-V86 HydrophobicContact CB-CG2 3.75Å; P81-V86 HydrophobicContact CG-CG2 3.48Å; P81-V86 VanDerWaalsContact CG-CG2 3.48Å; S82-V86 PolarHBondContact O-N 3.05Å; S82-V86 VanDerWaalsContact O-N 3.14Å; L83-V86 PolarHBondContact O-N 3.17Å; V86-L89 WeakPolarHBondContact O-CB 3.26Å; V86-L89 PolarHBondContact O-N 2.88Å; V86-L89 VanDerWaalsContact O-N 3.16Å; V86-V90 HydrophobicContact CG1-CG2 4.37Å; V86-V90 WeakPolarHBondContact O-CG2 3.14Å; V86-V90 PolarHBondContact O-N 3.22Å
87W74.8Confident70.2Confident108 Ų10894.9 Ų94.941%0.40950%0.504SS..Hα-helixtrans-66-40.4-180-81.261.6000112.5L83 E84 L89 V90 G91 W144 L147L83-W87 WeakPolarHBondContact O-CB 3.42Å; L83-W87 PolarHBondContact O-N 2.67Å; E84-W87 PolarHBondContact O-N 3.26Å; W87-L89 VanDerWaalsContact C-N 3.29Å; W87-L89 PolarHBondContact O-N 2.72Å; W87-V90 PolarHBondContact O-N 3.05Å; W87-G91 PolarHBondContact O-N 2.87Å; W87-W144 AromaticContact CE3-CH2 3.77Å; W87-W144 HydrophobicContact CE3-CH2 3.77Å; W87-W144 AromaticContact CE3-CZ3 3.89Å; W87-W144 HydrophobicContact CE3-CZ3 3.89Å; W87-W144 HydrophobicContact CH2-CE3 4.46Å; W87-W144 AromaticContact CH2-CH2 3.7Å; W87-W144 HydrophobicContact CH2-CH2 3.7Å; W87-W144 HydrophobicContact CH2-CZ2 4.07Å; W87-W144 AromaticContact CH2-CZ3 3.94Å; W87-W144 HydrophobicContact CH2-CZ3 3.94Å; W87-W144 AromaticContact CZ3-CE3 3.94Å; W87-W144 HydrophobicContact CZ3-CE3 3.94Å; W87-W144 AromaticContact CZ3-CH2 3.15Å; W87-W144 HydrophobicContact CZ3-CH2 3.15Å; W87-W144 AromaticContact CZ3-CZ2 3.99Å; W87-W144 HydrophobicContact CZ3-CZ2 3.99Å; W87-W144 AromaticContact CZ3-CZ3 3.15Å; W87-W144 HydrophobicContact CZ3-CZ3 3.15Å; W87-L147 HydrophobicContact CZ3-CD2 4.5Å
88K76Confident70Confident118 Ų11897 Ų9751%0.51350%0.503SS..Hα-helixtrans-60.1-39.9171.5-77.8176.8-175.2168.20111.7E84 R92E84-K88 HydrophobicContact CG-CD 4.5Å; E84-K88 WeakPolarHBondContact O-CB 3.27Å; E84-K88 WeakPolarHBondContact O-CG 3.4Å; E84-K88 PolarHBondContact O-N 2.97Å; E84-K88 WeakPolarHBondContact OE1-CE 3.12Å; E84-K88 IonicContact OE1-NZ 2.64Å; E84-K88 PolarHBondContact OE1-NZ 3.37Å; K88-R92 WeakPolarHBondContact O-CB 3.46Å; K88-R92 VanDerWaalsContact O-CG 3.27Å; K88-R92 WeakPolarHBondContact O-CG 3.16Å; K88-R92 PolarHBondContact O-N 2.95Å
89L74.3Confident69.6Low97 Ų97102.6 Ų102.651%0.50852%0.523SS..Hα-helixtrans-68-43.8177.4-167.570.5000111.5S85 V86 W87 R92 F93S85-L89 PolarHBondContact O-N 3.25Å; V86-L89 WeakPolarHBondContact O-CB 3.26Å; V86-L89 PolarHBondContact O-N 2.88Å; V86-L89 VanDerWaalsContact O-N 3.16Å; W87-L89 VanDerWaalsContact C-N 3.29Å; W87-L89 PolarHBondContact O-N 2.72Å; L89-R92 PolarHBondContact O-N 3.12Å; L89-F93 HydrophobicContact CD1-CD2 4.45Å; L89-F93 HydrophobicContact CD1-CE2 4.29Å; L89-F93 HydrophobicContact CD2-CE2 4.5Å; L89-F93 HydrophobicContact CG-CD2 4.07Å; L89-F93 HydrophobicContact CG-CE2 4.14Å; L89-F93 WeakPolarHBondContact O-CD2 3.13Å; L89-F93 PolarHBondContact O-N 3.43Å
90V78.3Confident69Low60 Ų6098.5 Ų98.536%0.36451%0.514SS..Hα-helixtrans-60.5-46.7175.4171.10000110.9V86 W87 R92 F93 Q94V86-V90 HydrophobicContact CG1-CG2 4.37Å; V86-V90 WeakPolarHBondContact O-CG2 3.14Å; V86-V90 PolarHBondContact O-N 3.22Å; W87-V90 PolarHBondContact O-N 3.05Å; V90-R92 VanDerWaalsContact C-N 3.32Å; V90-R92 PolarHBondContact O-N 2.89Å; V90-F93 PolarHBondContact O-N 3.05Å; V90-F93 VanDerWaalsContact O-N 3.17Å; V90-Q94 PolarHBondContact O-N 3.36Å
91G75.1Confident68.3Low26 Ų2699.3 Ų99.327%0.26852%0.518SS..Hα-helixtrans-61.1-38.6175.800000112.7W87 Q94 L95W87-G91 PolarHBondContact O-N 2.87Å; G91-Q94 PolarHBondContact O-N 2.99Å; G91-L95 WeakPolarHBondContact O-CG 3.28Å; G91-L95 PolarHBondContact O-N 3.34Å
92R75.5Confident67.2Low170 Ų170100.1 Ų100.164%0.64252%0.523SS*.Hα-helixtrans-65.7-40.6173.2-75.3173.6179.8-175.20.1112.6K88 L89 V90 L95 L96K88-R92 WeakPolarHBondContact O-CB 3.46Å; K88-R92 VanDerWaalsContact O-CG 3.27Å; K88-R92 WeakPolarHBondContact O-CG 3.16Å; K88-R92 PolarHBondContact O-N 2.95Å; L89-R92 PolarHBondContact O-N 3.12Å; V90-R92 VanDerWaalsContact C-N 3.32Å; V90-R92 PolarHBondContact O-N 2.89Å; R92-L95 PolarHBondContact O-N 3.49Å; R92-L96 WeakPolarHBondContact O-CG 3.38Å; R92-L96 PolarHBondContact O-N 3.24Å
93F73.3Confident65.9Low124 Ų124101.5 Ų101.554%0.54454%0.539SS..Hα-helixtrans-66.4-39174.5-94.3-73.9000111.9L89 V90 L96 T97L89-F93 HydrophobicContact CD1-CD2 4.45Å; L89-F93 HydrophobicContact CD1-CE2 4.29Å; L89-F93 HydrophobicContact CD2-CE2 4.5Å; L89-F93 HydrophobicContact CG-CD2 4.07Å; L89-F93 HydrophobicContact CG-CE2 4.14Å; L89-F93 WeakPolarHBondContact O-CD2 3.13Å; L89-F93 PolarHBondContact O-N 3.43Å; V90-F93 PolarHBondContact O-N 3.05Å; V90-F93 VanDerWaalsContact O-N 3.17Å; F93-L96 PolarHBondContact O-N 3.31Å; F93-T97 WeakPolarHBondContact O-CG2 3.23Å; F93-T97 PolarHBondContact O-N 3.45Å; F93-T97 PolarHBondContact O-OG1 3.19Å; F93-T97 VanDerWaalsContact O-OG1 3.07Å
94Q73.1Confident64.7Low82 Ų82104.8 Ų104.838%0.38355%0.551SS.*Hα-helixtrans-61.4-44.4172.8-86.1174.9-2100111.9V90 G91 L96 T97 E98V90-Q94 PolarHBondContact O-N 3.36Å; G91-Q94 PolarHBondContact O-N 2.99Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 2.9Å; Q94-T97 WeakPolarHBondContact CA-OG1 3.38Å; Q94-T97 PolarHBondContact O-N 3.41Å; Q94-T97 PolarHBondContact O-OG1 3.11Å; Q94-E98 WeakPolarHBondContact O-CB 3.41Å; Q94-E98 WeakPolarHBondContact O-CG 3.42Å; Q94-E98 PolarHBondContact O-N 2.58Å
95L69.6Low62.8Low89 Ų89104.6 Ų104.647%0.46656%0.558SS.*Hα-helixtrans-61.3-44173.2-70.1166.9000110.7G91 R92 T97 E98 F99G91-L95 WeakPolarHBondContact O-CG 3.28Å; G91-L95 PolarHBondContact O-N 3.34Å; R92-L95 PolarHBondContact O-N 3.49Å; L95-T97 VanDerWaalsContact C-N 3.3Å; L95-T97 PolarHBondContact O-N 3.29Å; L95-E98 PolarHBondContact O-N 3.4Å; L95-F99 HydrophobicContact CB-CD2 4.19Å; L95-F99 HydrophobicContact CB-CE2 4.42Å; L95-F99 HydrophobicContact CD2-CD2 4.37Å; L95-F99 HydrophobicContact CD2-CE2 3.8Å; L95-F99 VanDerWaalsContact O-CB 3.3Å; L95-F99 WeakPolarHBondContact O-CB 3.36Å; L95-F99 WeakPolarHBondContact O-CD2 3.36Å; L95-F99 PolarHBondContact O-N 3.02Å
96L66.4Low61Low118 Ų118107.7 Ų107.762%0.61858%0.579SS**Hα-helixtrans-65.6-30177.6-73.8171.2000113.4R92 F93 Q94 G100R92-L96 WeakPolarHBondContact O-CG 3.38Å; R92-L96 PolarHBondContact O-N 3.24Å; F93-L96 PolarHBondContact O-N 3.31Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 2.9Å; L96-G100 WeakPolarHBondContact O-CA 3.46Å; L96-G100 PolarHBondContact O-N 3.45Å
97T68.3Low59.3Low90 Ų90113.3 Ų113.355%0.55260%0.602SS**Hα-helixtrans-81.6-30.8174.850.80000112.5F93 Q94 L95F93-T97 WeakPolarHBondContact O-CG2 3.23Å; F93-T97 PolarHBondContact O-N 3.45Å; F93-T97 PolarHBondContact O-OG1 3.19Å; F93-T97 VanDerWaalsContact O-OG1 3.07Å; Q94-T97 WeakPolarHBondContact CA-OG1 3.38Å; Q94-T97 PolarHBondContact O-N 3.41Å; Q94-T97 PolarHBondContact O-OG1 3.11Å; L95-T97 VanDerWaalsContact C-N 3.3Å; L95-T97 PolarHBondContact O-N 3.29Å
98E61.9Low57.3Low137 Ų137118.6 Ų118.664%0.6462%0.622SS**Hα-helixtrans-74.2-37172.8-75.2178.5175.200112.5Q94 L95Q94-E98 WeakPolarHBondContact O-CB 3.41Å; Q94-E98 WeakPolarHBondContact O-CG 3.42Å; Q94-E98 PolarHBondContact O-N 2.58Å; L95-E98 PolarHBondContact O-N 3.4Å
99F56.2Low55.2Low159 Ų159120.5 Ų120.570%0.69763%0.633SS**Hα-helixtrans-87.3-15.4174.1-72.2-70.8000113.3L95 I101L95-F99 HydrophobicContact CB-CD2 4.19Å; L95-F99 HydrophobicContact CB-CE2 4.42Å; L95-F99 HydrophobicContact CD2-CD2 4.37Å; L95-F99 HydrophobicContact CD2-CE2 3.8Å; L95-F99 VanDerWaalsContact O-CB 3.3Å; L95-F99 WeakPolarHBondContact O-CB 3.36Å; L95-F99 WeakPolarHBondContact O-CD2 3.36Å; L95-F99 PolarHBondContact O-N 3.02Å; F99-I101 VanDerWaalsContact C-N 3.27Å; F99-I101 PolarHBondContact O-N 3.03Å
100G47.9Very low53.4Low57 Ų57123 Ų12359%0.58865%0.652SS**SBendtrans-81.32.5-177.900000115.1L96L96-G100 WeakPolarHBondContact O-CA 3.46Å; L96-G100 PolarHBondContact O-N 3.45Å
101I45.1Very low51.2Low143 Ų143124.8 Ų124.873%0.73367%0.667SS**  trans-13287.2171.3-50.1173.6000106.1F99F99-I101 VanDerWaalsContact C-N 3.27Å; F99-I101 PolarHBondContact O-N 3.03Å
102P40.3Very low49.1Very low99 Ų99128.6 Ų128.664%0.64369%0.69SS**  -148.7124.189.334.3-14.6000114.3
103A41.7Very low47Very low99 Ų99127.8 Ų127.882%0.81870%0.698SS**  trans-131.733.615800000111.5
104E40.5Very low45.1Very low197 Ų197129.6 Ų129.692%0.92171%0.713SS**SBendtrans-97.712.9165.9-73-158.1158.800113.1
105T35.5Very low43.2Very low116 Ų116134 Ų13471%0.71273%0.734SS**  trans-124.762.417258.20000110.3
106S33.9Very low41.5Very low116 Ų116138.5 Ų138.581%0.81175%0.752SS**  trans-98.992.8149.9-179.10000107.1R108S106-R108 PolarHBondContact O-N 3.38Å
107E38Very low39.9Very low175 Ų175142.2 Ų142.282%0.81876%0.763SS**  trans-25.8117.2156.7-56.3173.716500110.8
108R32.1Very low38.2Very low219 Ų219142.7 Ų142.783%0.82678%0.777SS**  49.411695.4-173.4163.7-176.9167.24.8112.6S106S106-R108 PolarHBondContact O-N 3.38Å
109E32Very low36.7Very low157 Ų157140.3 Ų140.373%0.73478%0.781SS**  trans95.383.1166.1-66.9173.2-163.500118.6
110V36.4Very low35.6Very low151 Ų151138.2 Ų138.292%0.91579%0.786SS**  -135118.5121.2179.90000109
111S32.4Very low34.7Very low97 Ų97146.7 Ų146.768%0.67880%0.8SS**  trans-65.8157.4179.9-57.30000114.6
112S31.6Very low34.2Very low106 Ų106144.1 Ų144.174%0.74180%0.8SS**  trans103.5112140.4-38.30000118.1
113N30.5Very low33.7Very low153 Ų153147.7 Ų147.782%0.81881%0.808SS**  trans58.1103.5139.4-64.3-4.3000119.1
114N33.4Very low33.3Very low162 Ų162151.5 Ų151.587%0.86681%0.809SS**  -160.4129.6108.7-118.1-7.4000113
115E33.2Very low33.1Very low174 Ų174150.2 Ų150.281%0.81381%0.809SS**  trans-64.6137.2165.7-60.7169126.900110.2
116Q33.7Very low33Very low183 Ų183147.9 Ų147.986%0.85581%0.808SS**  153.6137.8122.1-88.9178.6-43.200113.7
117K33.3Very low33Very low196 Ų196149.6 Ų149.685%0.85281%0.808SS**  trans8495.8151.8-89.4176.8170.9176.20119.2
118A33Very low33Very low101 Ų101148.7 Ų148.784%0.83581%0.808SS**  trans-49126.4136.700000111.9
119A30.6Very low33.4Very low87 Ų87145.1 Ų145.172%0.71980%0.804SS**  trans-179.1126.9130.100000111.9
120S31.2Very low33.8Very low115 Ų115142.3 Ų142.380%0.80480%0.802SS**  trans72.9112.3145.151.40000122.6
121R30.1Very low34Very low234 Ų234140.6 Ų140.688%0.88379%0.792SS**  76.6101.1123.8-157.2178.2-172.4173.51.5119.5
122A35.3Very low34.5Very low90 Ų90140.9 Ų140.974%0.74479%0.79SS**  trans-154.6111.4143.300000105.2
123E29.3Very low35.4Very low174 Ų174141 Ų14181%0.81378%0.782SS**  36.275.185.8-71.2-158.1-173.900113
124E32.3Very low36.1Very low178 Ų178139.8 Ų139.883%0.83278%0.775SS**  trans-177.1100154.4-109.4171.2-17800108
125N37.3Very low36.6Very low170 Ų170141.4 Ų141.491%0.90977%0.769SS**  trans-134.490149.6-91.9-22000104.4D127N125-D127 PolarHBondContact O-N 3.06Å
126G33.8Very low37.4Very low67 Ų67135.7 Ų135.769%0.69175%0.748SS**  trans-58.8123.7179.200000110.4L128G126-L128 PolarHBondContact O-N 3.42Å
127D33.3Very low38Very low153 Ų153134.4 Ų134.482%0.81874%0.742SS**  trans-63.760151.9-85.4-31000109.5N125 L129N125-D127 PolarHBondContact O-N 3.06Å; D127-L129 PolarHBondContact O-N 3.05Å
128L37.8Very low38.5Very low156 Ų156131.3 Ų131.382%0.81773%0.734SS**  trans-73.774.7154.2-93.3162.5000106.1G126 S130G126-L128 PolarHBondContact O-N 3.42Å; L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 3.27Å
129L39.9Very low39.3Very low143 Ų143134.4 Ų134.475%0.74972%0.724SS**  trans-52.7101.9163.8-79.8164.5000107.8D127 T131D127-L129 PolarHBondContact O-N 3.05Å; L129-T131 PolarHBondContact O-N 3.05Å
130S41.4Very low39.9Very low99 Ų99136.6 Ų136.669%0.69272%0.72SS**  trans7.579.7154-60.40000115.6L128 T132L128-S130 VanDerWaalsContact C-N 3.33Å; L128-S130 PolarHBondContact O-N 3.27Å; S130-T132 PolarHBondContact O-N 2.94Å
131T41.5Very low41Very low115 Ų115134.9 Ų134.971%0.70671%0.708SS**  trans-78.1-2.3159.651.90000111.7L129 N133L129-T131 PolarHBondContact O-N 3.05Å; T131-N133 PolarHBondContact O-N 3.04Å; T131-N133 VanDerWaalsContact O-N 3.16Å
132T41.9Very low42Very low102 Ų102131.3 Ų131.363%0.62670%0.701SS**THydrogen-bonded Turntrans-79.490170.451.50000109S130S130-T132 PolarHBondContact O-N 2.94Å
133N51.1Low42.5Very low110 Ų110132.4 Ų132.459%0.58869%0.694SS**THydrogen-bonded Turntrans168.82.9145.3-83.6-30.7000115.5T131 W135 S136T131-N133 PolarHBondContact O-N 3.04Å; T131-N133 VanDerWaalsContact O-N 3.16Å; N133-W135 PolarHBondContact O-N 3.34Å; N133-S136 PolarHBondContact O-N 3.3Å; N133-S136 VanDerWaalsContact O-N 3.12Å; N133-S136 PolarHBondContact OD1-OG 3.21Å; N133-S136 VanDerWaalsContact OD1-OG 3.07Å
134L45.4Very low43.4Very low127 Ų127129.3 Ų129.367%0.66568%0.675SS**Hα-helixtrans-60.2-26.9172.4-86.6157.8000113.2
135W43.2Very low44.3Very low196 Ų196126.5 Ų126.574%0.74267%0.665SS**Hα-helixtrans-86.2-16.5179.3-61.8100000113.8N133N133-W135 PolarHBondContact O-N 3.34Å
136S49.2Very low44.7Very low54 Ų54127.7 Ų127.738%0.37866%0.657SS.*Hα-helixtrans-77.1-31.3176.4-58.40000111.2N133 R139N133-S136 PolarHBondContact O-N 3.3Å; N133-S136 VanDerWaalsContact O-N 3.12Å; N133-S136 PolarHBondContact OD1-OG 3.21Å; N133-S136 VanDerWaalsContact OD1-OG 3.07Å; S136-R139 PolarHBondContact O-N 3.33Å
137E46.3Very low45.2Very low156 Ų156129.8 Ų129.873%0.72965%0.652SS**Hα-helixtrans-71.5-30.8172.8-89.3178.2153.700113R139E137-R139 PolarHBondContact O-N 2.98Å
138L43.7Very low46Very low130 Ų130130.5 Ų130.568%0.68165%0.65SS**THydrogen-bonded Turntrans-76.1-3.6175.6-107.4130.8000114E140L138-E140 PolarHBondContact O-N 3.43Å
139R49.8Very low46.6Very low166 Ų166126.8 Ų126.863%0.62664%0.643SS**  trans-78.341.3169.1-77.6-160.6-97.8-162.7-7.5112.1S136 E137 S141S136-R139 PolarHBondContact O-N 3.33Å; E137-R139 PolarHBondContact O-N 2.98Å; R139-S141 PolarHBondContact O-N 2.93Å; R139-S141 PolarHBondContact O-OG 3.34Å
140E44.7Very low46.8Very low133 Ų133124.1 Ų124.162%0.62163%0.632SS**  trans-60.795.5161.8-79.9-177.1173.600108L138 E142 L143L138-E140 PolarHBondContact O-N 3.43Å; E140-E142 PolarHBondContact O-N 3.01Å; E140-L143 PolarHBondContact O-N 2.97Å
141S52.8Low46.7Very low80 Ų80128.3 Ų128.356%0.55964%0.641SS**Hα-helixtrans-64.8-10.9-174.3-40.40000111.6R139 N145R139-S141 PolarHBondContact O-N 2.93Å; R139-S141 PolarHBondContact O-OG 3.34Å; S141-N145 PolarHBondContact O-N 3.28Å
142E51.2Low46.7Very low159 Ų159128.3 Ų128.374%0.74364%0.64SS**Hα-helixtrans-74.5-27.9-177.4-65.3-166.2159.400114E140E140-E142 PolarHBondContact O-N 3.01Å
143L45.8Very low46.4Very low112 Ų112133.1 Ų133.159%0.58665%0.648SS**Hα-helixtrans-76.6-30176.4-69.2176.2000112.2E140 R146 L147E140-L143 PolarHBondContact O-N 2.97Å; L143-R146 PolarHBondContact O-N 3.4Å; L143-L147 PolarHBondContact O-N 3.02Å
144W48.4Very low45.7Very low110 Ų110130.9 Ų130.942%0.41765%0.652SS.*Hα-helixtrans-70.6-41-179.8-61.496.6000112.1W87 R146 L147W87-W144 AromaticContact CE3-CH2 3.77Å; W87-W144 HydrophobicContact CE3-CH2 3.77Å; W87-W144 AromaticContact CE3-CZ3 3.89Å; W87-W144 HydrophobicContact CE3-CZ3 3.89Å; W87-W144 HydrophobicContact CH2-CE3 4.46Å; W87-W144 AromaticContact CH2-CH2 3.7Å; W87-W144 HydrophobicContact CH2-CH2 3.7Å; W87-W144 HydrophobicContact CH2-CZ2 4.07Å; W87-W144 AromaticContact CH2-CZ3 3.94Å; W87-W144 HydrophobicContact CH2-CZ3 3.94Å; W87-W144 AromaticContact CZ3-CE3 3.94Å; W87-W144 HydrophobicContact CZ3-CE3 3.94Å; W87-W144 AromaticContact CZ3-CH2 3.15Å; W87-W144 HydrophobicContact CZ3-CH2 3.15Å; W87-W144 AromaticContact CZ3-CZ2 3.99Å; W87-W144 HydrophobicContact CZ3-CZ2 3.99Å; W87-W144 AromaticContact CZ3-CZ3 3.15Å; W87-W144 HydrophobicContact CZ3-CZ3 3.15Å; W144-R146 PolarHBondContact O-N 3.37Å; W144-L147 PolarHBondContact O-N 3.22Å
145N52Low45.2Very low118 Ų118134 Ų13463%0.63166%0.656SS**Hα-helixtrans-68.2-22.2175.2-73.2-25.4000113.4S141 A149S141-N145 PolarHBondContact O-N 3.28Å; N145-A149 WeakPolarHBondContact O-CB 3.25Å
146R46.4Very low45Very low195 Ų195130.1 Ų130.174%0.73665%0.654SS**Hα-helixtrans-80.1-32.5177.9-82-177.6157.2-179.4-3.3113.1L143 W144 T150L143-R146 PolarHBondContact O-N 3.4Å; W144-R146 PolarHBondContact O-N 3.37Å; R146-T150 PolarHBondContact O-N 3.21Å; R146-T150 PolarHBondContact O-OG1 3.15Å
147L44.3Very low44.7Very low111 Ų111134.2 Ų134.258%0.58167%0.672SS**Hα-helixtrans-78.7-37.5-176.3-156.375.2000112.3W87 L143 W144 A149 T150W87-L147 HydrophobicContact CZ3-CD2 4.5Å; L143-L147 PolarHBondContact O-N 3.02Å; W144-L147 PolarHBondContact O-N 3.22Å; L147-A149 VanDerWaalsContact C-N 3.25Å; L147-A149 PolarHBondContact O-N 3.07Å; L147-T150 WeakPolarHBondContact CA-OG1 3.43Å; L147-T150 PolarHBondContact O-N 3.2Å; L147-T150 PolarHBondContact O-OG1 3.23Å
148E49.2Very low44.5Very low168 Ų168134.3 Ų134.379%0.78567%0.672SS**Hα-helixtrans-69.8-23.3172.7-68.1-175.4175.500112.7T150E148-T150 VanDerWaalsContact C-N 3.34Å
149A50.3Low44.4Very low79 Ų79135.8 Ų135.865%0.65368%0.681SS**THydrogen-bonded Turntrans-77.5-16.9172.200000113.4N145 L147 Q151N145-A149 WeakPolarHBondContact O-CB 3.25Å; L147-A149 VanDerWaalsContact C-N 3.25Å; L147-A149 PolarHBondContact O-N 3.07Å; A149-Q151 VanDerWaalsContact C-N 3.26Å; A149-Q151 PolarHBondContact O-N 3.38Å; A149-Q151 VanDerWaalsContact O-N 3.1Å
150T44.5Very low43.9Very low86 Ų86136.8 Ų136.853%0.52869%0.693SS.*  trans-84.971.3169.424.70000111R146 L147 E148 V152R146-T150 PolarHBondContact O-N 3.21Å; R146-T150 PolarHBondContact O-OG1 3.15Å; L147-T150 WeakPolarHBondContact CA-OG1 3.43Å; L147-T150 PolarHBondContact O-N 3.2Å; L147-T150 PolarHBondContact O-OG1 3.23Å; E148-T150 VanDerWaalsContact C-N 3.34Å; T150-V152 PolarHBondContact O-N 3.42Å
151Q39.3Very low43.8Very low188 Ų188136.4 Ų136.488%0.87970%0.701SS**  trans-76.255.8159.8-153.8179.76400109.5A149A149-Q151 VanDerWaalsContact C-N 3.26Å; A149-Q151 PolarHBondContact O-N 3.38Å; A149-Q151 VanDerWaalsContact O-N 3.1Å
152V42.4Very low43.2Very low114 Ų114141.1 Ų141.169%0.69172%0.715SS**  trans-155.889.5-179.1-171.60000107.2T150T150-V152 PolarHBondContact O-N 3.42Å
153Y35.5Very low42.5Very low203 Ų203142.1 Ų142.180%0.79672%0.719SS**  -154.8114.878.3-151.8-95.7000108.1Y155Y153-Y155 PolarHBondContact O-N 3.03Å
154G35.5Very low41.9Very low64 Ų64145.5 Ų145.566%0.6673%0.732SS**  trans-65.5111.3161.500000108.1T156G154-T156 VanDerWaalsContact C-N 3.35Å
155Y33.9Very low41Very low192 Ų192148.9 Ų148.975%0.75375%0.753SS**  trans-94.580.9156.6-161.3-85.8000106.1Y153Y153-Y155 PolarHBondContact O-N 3.03Å
156T39.8Very low40.5Very low114 Ų114147.4 Ų147.470%0.69975%0.752SS**  trans-91.1126.8162.536.10000107.3G154 E158G154-T156 VanDerWaalsContact C-N 3.35Å; T156-E158 PolarHBondContact O-N 3.49Å
157D43.4Very low39.9Very low140 Ų140147 Ų14775%0.74976%0.758SS**SBendtrans-68.641.4-176.8-118.5-5000113.2
158E41.9Very low39.4Very low159 Ų159154.2 Ų154.274%0.74378%0.777SS**  trans-139.782.5-173.4-64.7-90.116200108.2T156T156-E158 PolarHBondContact O-N 3.49Å
159D41Very low38.8Very low161 Ų161153 Ų15386%0.86177%0.772SS**  trans-175.783.9150-88-28.8000108.5P161D159-P161 WeakPolarHBondContact O-CD 3.22Å
160E40.7Very low38Very low187 Ų187158.4 Ų158.487%0.87478%0.783SS**  trans-56.8127.3152.9-91.8-169.1140.700109
161P42.2Very low37.6Very low124 Ų124163.8 Ų163.881%0.80580%0.802SS**  trans-80.6114.815229.9-26000108.4D159D159-P161 WeakPolarHBondContact O-CD 3.22Å
162E40.4Very low37.5Very low179 Ų179162.5 Ų162.584%0.83679%0.794SS**  trans-37.2140.5166.9-67.2176.5147.400112.9Q164E162-Q164 PolarHBondContact O-N 3.38Å
163E35.6Very low37.2Very low181 Ų181168.1 Ų168.185%0.84680%0.802SS**  trans-46.4104.5165.9-66.4176.8150.600111.1E165E163-E165 VanDerWaalsContact C-N 3.32Å; E163-E165 PolarHBondContact O-N 3.33Å
164Q32.5Very low37.1Very low183 Ų183166.1 Ų166.186%0.85581%0.806SS**  trans-92.173.8162.6-141.7167.766.500108.6E162 S166E162-Q164 PolarHBondContact O-N 3.38Å; Q164-S166 VanDerWaalsContact C-N 3.32Å; Q164-S166 PolarHBondContact O-N 3.07Å; Q164-S166 VanDerWaalsContact O-N 3.07Å
165E30.9Very low37Very low181 Ų181168.8 Ų168.885%0.84681%0.814SS**  trans-65.191.7155.5-79.5-168.6145.700108.4E163E163-E165 VanDerWaalsContact C-N 3.32Å; E163-E165 PolarHBondContact O-N 3.33Å
166S40Very low37Very low87 Ų87171 Ų17161%0.60882%0.821SS**  trans-162.8122.5151.3440000112.9Q164Q164-S166 VanDerWaalsContact C-N 3.32Å; Q164-S166 PolarHBondContact O-N 3.07Å; Q164-S166 VanDerWaalsContact O-N 3.07Å
167E35Very low37Very low185 Ų185177.6 Ų177.686%0.86483%0.833SS**SBendtrans69.266.4146.5-60.7-172.1160.300119.8
168R34.4Very low36.5Very low263 Ų263174.2 Ų174.299%0.99283%0.831SS**  trans-142.261.7130.6-71.7-161.9-179.1160.82.4111.9
169E34.9Very low36Very low144 Ų144171.9 Ų171.967%0.67383%0.832SS**  trans-120.485.2156-162.2-169.7164.300109.2K172E169-K172 IonicContact OE1-NZ 2.82Å; E169-K172 PolarHBondContact OE1-NZ 2.82Å
170H33.5Very low35.7Very low191 Ų191171 Ų17188%0.88483%0.833SS**  trans-153.879.4154.9-97.1-58000110.1
171E35.7Very low35.7Very low200 Ų200167.1 Ų167.194%0.93583%0.827SS**  trans-145.178142-149.7166-170.400109.9
172K37.5Very low35.2Very low161 Ų161167.5 Ų167.570%0.783%0.827SS**  trans-99.2136.5160.3-91.7171180136.60108.1E169E169-K172 IonicContact OE1-NZ 2.82Å; E169-K172 PolarHBondContact OE1-NZ 2.82Å
173R36.9Very low34.7Very low231 Ų231164.1 Ų164.187%0.87282%0.822SS**  trans80.298.1154.4-73.1177156.3-178.6-4.3119.5
174N32.8Very low34.9Very low162 Ų162160.8 Ų160.887%0.86683%0.825SS**  172.2121104.8-90.6-22.3000107.1
175S35Very low35.1Very low119 Ų119161.7 Ų161.783%0.83283%0.826SS**  -169.1120.887.8-176.40000110.9
176R33.7Very low35.4Very low239 Ų239156.3 Ų156.390%0.90282%0.819SS**  trans-71.5125.7157.5-76.7166.3156167.8-7.4108.7
177R38.4Very low35.3Very low253 Ų253161.2 Ų161.296%0.95583%0.832SS**  166.4137.7129.7-100.5176.9167.9-161.1-2.9113.8
178G34.1Very low35.5Very low69 Ų69162.9 Ų162.971%0.71184%0.836SS**  trans106.892.6166.300000111.3
179S30.7Very low36.3Very low109 Ų109162.1 Ų162.176%0.76283%0.833SS**  cis55.2116.239.7-60.20000113.9
180T34.9Very low37.4Very low143 Ų143165 Ų16588%0.87784%0.844SS**  trans80.8139.2168.574.50000115.4
181S40.3Very low38Very low106 Ų106167.7 Ų167.774%0.74185%0.846SS**  cis-154.6140.59.161.30000107.6
182V32.1Very low38.3Very low132 Ų132168.7 Ų168.780%0.884%0.841SS**  35.8120.178.9-171.30000116
183C30.9Very low38.9Very low108 Ų108168 Ų16873%0.7384%0.844SS**  trans81.399.3159.8-100.60000118.9
184A38.6Very low39.4Very low111 Ų111164.8 Ų164.892%0.91784%0.839SS**  trans-119.999.3140.600000109.3
185K37Very low39.7Very low202 Ų202162.2 Ų162.288%0.87883%0.833SS**  trans-79.6127.5161.3-83.5171.8173.8167.90108.4
186G37.9Very low40.3Very low68 Ų68164.4 Ų164.470%0.70184%0.836SS**  trans177.7123.7162.400000108.2
187H37.5Very low41.1Very low190 Ų190161.7 Ų161.788%0.8886%0.864SS**  cis-143.6135.517.8-92.1-21.6000110
188K39.6Very low41.3Very low219 Ų219157.1 Ų157.195%0.95286%0.86SS**  trans-76.2115.2156.7-75.4-175.2174.1-177.40107.8
189R50.6Low41.6Very low247 Ų247161.7 Ų161.793%0.93287%0.867SS**PPolyproline II helixtrans-99.4123.9162.1-146.7174178.5-173.9-1.5109
190K57.7Low42.3Very low205 Ų205164.7 Ų164.789%0.89187%0.873SS**PPolyproline II helixtrans-54.3139.6-176.2-95.7166.5165.1172.30113.3
191R47.2Very low42.7Very low247 Ų247165.9 Ų165.993%0.93287%0.873SS**PPolyproline II helixtrans-73.2134.1152.9-73.4179.6169.8178.5-3.7110.4
192R41Very low42.8Very low222 Ų222169.7 Ų169.784%0.83888%0.881SS**  trans174.1125.7139.3-131.8173.1171.1175.7-4.2105.9
193I50.7Low43.6Very low146 Ų146172.2 Ų172.275%0.74989%0.887SS**  -165.8115.288.5-77.9153.3000106.8
194Q46Very low44.5Very low164 Ų164176.8 Ų176.877%0.76690%0.898SS**  56.9115.1123.8-65.9-179.6-3100118.4
195S40.6Very low44.9Very low107 Ų107181.8 Ų181.875%0.74890%0.896SS**  trans-58.8135148.350.70000111.6
196N46.6Very low45.6Very low166 Ų166180.2 Ų180.289%0.88890%0.898SS**  trans-176.6108.9136.8-95.4-3.3000109.1
197A51.6Low46.3Very low181 Ų181190.4 Ų190.4100%1.49692%0.916SS**  trans-157.50145.700000106.6

Retrieved 197 of 197 residues in 360.9 ms (Link to these results)