A0A087YEJ5_POEFO Loading...

Claudin 12

AlphaFold DB , UniProt , Accession A0A087YEJ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 373 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
1M42.9Very low65Low209 Ų20984.7 Ų84.7100%1.0345%0.454SS*.  0128.90-76.7168.4169.100107.8
2S42.9Very low67.3Low85 Ų8588.6 Ų88.659%0.59446%0.464SS*.  trans-66.4146.8177.1172.70000109.6R4 D5S2-R4 PolarHBondContact O-N 3.07Å; S2-D5 PolarHBondContact O-N 3.31Å
3C53.7Low69.3Low69 Ų6981.9 Ų81.947%0.46643%0.43SS..Hα-helixtrans-55.1-17.8-177.9-137.10000114I6 H7C3-I6 WeakPolarHBondContact O-CB 3.35Å; C3-I6 PolarHBondContact O-N 3.08Å; C3-H7 PolarHBondContact O-CD2 3.03Å
4R52.3Low71.1Confident215 Ų21579.1 Ų79.181%0.81141%0.412SS*.Hα-helixtrans-65.9-40-177.4-152.4175.2-177.5123.2-0.3113.7S2 I6S2-R4 PolarHBondContact O-N 3.07Å; R4-I6 PolarHBondContact O-N 2.89Å
5D53.7Low72.8Confident108 Ų10880.2 Ų80.258%0.57842%0.418SS*.Hα-helixtrans-72.1-20.6176.6-60.5-37.6000111.8S2 A8S2-D5 PolarHBondContact O-N 3.31Å; D5-A8 WeakPolarHBondContact O-CB 3.26Å; D5-A8 PolarHBondContact O-N 3.31Å
6I59.5Low74.4Confident19 Ų1978.3 Ų78.310%0.09741%0.407CS..Hα-helixtrans-81-25.8-172.2-46.3177.9000110.4C3 R4 A8 T9 W197 C201C3-I6 WeakPolarHBondContact O-CB 3.35Å; C3-I6 PolarHBondContact O-N 3.08Å; R4-I6 PolarHBondContact O-N 2.89Å; I6-A8 VanDerWaalsContact C-N 3.3Å; I6-A8 PolarHBondContact O-N 3.02Å; I6-T9 PolarHBondContact O-N 2.83Å; I6-W197 HydrophobicContact CG2-CG 3.94Å; I6-W197 PolarHBondContact O-NE1 2.89Å; I6-C201 WeakPolarHBondContact CG2-SG 3.2Å
7H70.4Confident75.7Confident101 Ų10173.7 Ų73.747%0.46838%0.384SS..Hα-helixtrans-66.1-30.2169.1-67.8-70.6000113.3C3 N10 A11C3-H7 PolarHBondContact O-CD2 3.03Å; H7-N10 PolarHBondContact O-N 2.97Å; H7-A11 PolarHBondContact O-N 3.33Å
8A81.2Confident77Confident45 Ų4576.9 Ų76.937%0.37239%0.394SS..Hα-helixtrans-66.2-40.8177.300000111.3D5 I6 N10 A11 F12D5-A8 WeakPolarHBondContact O-CB 3.26Å; D5-A8 PolarHBondContact O-N 3.31Å; I6-A8 VanDerWaalsContact C-N 3.3Å; I6-A8 PolarHBondContact O-N 3.02Å; A8-N10 VanDerWaalsContact C-N 3.33Å; A8-N10 PolarHBondContact O-N 2.79Å; A8-A11 PolarHBondContact O-N 3.36Å; A8-A11 VanDerWaalsContact O-N 3.15Å; A8-F12 HydrophobicContact CB-CD2 4.24Å; A8-F12 HydrophobicContact CB-CE2 3.97Å; A8-F12 WeakPolarHBondContact O-CD2 3.36Å; A8-F12 PolarHBondContact O-N 3.28Å
9T84.9Confident78.1Confident27 Ų2777.8 Ų77.817%0.16640%0.404CS..Hα-helixtrans-56.6-43.7177.5-55.50000112.6I6 F12 A13 L193 M196 W197I6-T9 PolarHBondContact O-N 2.83Å; T9-F12 PolarHBondContact O-N 3.2Å; T9-A13 WeakPolarHBondContact O-CB 3.48Å; T9-A13 PolarHBondContact O-N 2.83Å; T9-L193 HydrophobicContact CG2-CB 4.12Å; T9-L193 HydrophobicContact CG2-CD2 4.34Å; T9-M196 HydrophobicContact CG2-CE 3.61Å; T9-W197 HydrophobicContact CG2-CB 4.42Å
10N84.8Confident79.1Confident11 Ų1174.5 Ų74.56%0.05939%0.387CS..Hα-helixtrans-67.4-39177.4-82.60.8000112.4H7 A8 A13 F14 W197H7-N10 PolarHBondContact O-N 2.97Å; A8-N10 VanDerWaalsContact C-N 3.33Å; A8-N10 PolarHBondContact O-N 2.79Å; N10-A13 PolarHBondContact O-N 2.84Å; N10-F14 VanDerWaalsContact O-CB 3.32Å; N10-F14 WeakPolarHBondContact O-CB 3.37Å; N10-F14 PolarHBondContact O-N 3.2Å; N10-W197 VanDerWaalsContact CG-CD1 3.4Å; N10-W197 WeakPolarHBondContact ND2-CZ2 3.46Å; N10-W197 PolarHBondContact ND2-NE1 2.84Å; N10-W197 VanDerWaalsContact ND2-NE1 3.19Å; N10-W197 VanDerWaalsContact OD1-CB 3.27Å; N10-W197 WeakPolarHBondContact OD1-CB 3.21Å; N10-W197 VanDerWaalsContact OD1-CD2 3.32Å
11A88.8Confident80.1Confident43 Ų4371.6 Ų71.636%0.35537%0.373SS..Hα-helixtrans-64-44.317500000111.3H7 A8 F14 I15H7-A11 PolarHBondContact O-N 3.33Å; A8-A11 PolarHBondContact O-N 3.36Å; A8-A11 VanDerWaalsContact O-N 3.15Å; A11-F14 PolarHBondContact O-N 3.1Å; A11-I15 VanDerWaalsContact O-CG1 3.28Å; A11-I15 WeakPolarHBondContact O-CG1 3.49Å; A11-I15 PolarHBondContact O-N 3.48Å
12F92Very high82.7Confident131 Ų13163.4 Ų63.458%0.57534%0.342SS*.Hα-helixtrans-62.6-46175.2-73.5-61.4000112.1A8 T9 F14 I15 I16A8-F12 HydrophobicContact CB-CD2 4.24Å; A8-F12 HydrophobicContact CB-CE2 3.97Å; A8-F12 WeakPolarHBondContact O-CD2 3.36Å; A8-F12 PolarHBondContact O-N 3.28Å; T9-F12 PolarHBondContact O-N 3.2Å; F12-F14 VanDerWaalsContact C-N 3.28Å; F12-F14 PolarHBondContact O-N 2.81Å; F12-I15 PolarHBondContact O-N 3.32Å; F12-I16 VanDerWaalsContact O-CG1 3.26Å; F12-I16 WeakPolarHBondContact O-CG1 2.97Å; F12-I16 PolarHBondContact O-N 2.84Å
13A94.1Very high85.3Confident2 Ų260 Ų602%0.01732%0.32CS..Hα-helixtrans-58.3-42.9176.100000111.4T9 N10 A17 A190 L193T9-A13 WeakPolarHBondContact O-CB 3.48Å; T9-A13 PolarHBondContact O-N 2.83Å; N10-A13 PolarHBondContact O-N 2.84Å; A13-A17 VanDerWaalsContact O-CB 3.31Å; A13-A17 WeakPolarHBondContact O-CB 3.2Å; A13-A17 PolarHBondContact O-N 2.03Å; A13-A190 WeakPolarHBondContact O-CB 3.38Å; A13-L193 HydrophobicContact CB-CB 3.86Å; A13-L193 HydrophobicContact CB-CD1 4.37Å
14F94.5Very high87.5Confident42 Ų4256.7 Ų56.718%0.18430%0.298CS..Hα-helixtrans-63.5-45.8176.7179-100.3000112.7N10 A11 F12 A17 F18 L101 M105 M108N10-F14 VanDerWaalsContact O-CB 3.32Å; N10-F14 WeakPolarHBondContact O-CB 3.37Å; N10-F14 PolarHBondContact O-N 3.2Å; A11-F14 PolarHBondContact O-N 3.1Å; F12-F14 VanDerWaalsContact C-N 3.28Å; F12-F14 PolarHBondContact O-N 2.81Å; F14-A17 PolarHBondContact O-N 2.75Å; F14-F18 WeakPolarHBondContact O-CB 3.47Å; F14-F18 PolarHBondContact O-N 3.14Å; F14-L101 HydrophobicContact CD2-CD2 3.83Å; F14-L101 HydrophobicContact CE2-CB 4.34Å; F14-L101 HydrophobicContact CE2-CD2 3.6Å; F14-L101 HydrophobicContact CZ-CD2 4.36Å; F14-M105 HydrophobicContact CD2-SD 4.36Å; F14-M105 HydrophobicContact CE1-SD 3.72Å; F14-M105 HydrophobicContact CE2-CG 3.55Å; F14-M105 HydrophobicContact CE2-SD 3.54Å; F14-M105 VanDerWaalsContact CE2-SD 3.54Å; F14-M105 HydrophobicContact CZ-CG 3.6Å; F14-M105 HydrophobicContact CZ-SD 3.17Å; F14-M105 WeakPolarHBondContact CZ-SD 3.44Å; F14-M108 HydrophobicContact CB-CE 3.95Å; F14-M108 HydrophobicContact CB-SD 4.4Å; F14-M108 HydrophobicContact CD1-CE 3.95Å; F14-M108 HydrophobicContact CD2-CE 3.53Å; F14-M108 HydrophobicContact CE1-CE 4.38Å; F14-M108 HydrophobicContact CE2-CE 4Å; F14-M108 HydrophobicContact CG-CE 3.5Å; F14-M108 HydrophobicContact CZ-CE 4.41Å
15I96.4Very high89.6Confident96 Ų9647.7 Ų47.749%0.49227%0.27SS..Hα-helixtrans-62.3-45.7178.4-67.9163.6000110.7A11 F12 A17 F18 V19A11-I15 VanDerWaalsContact O-CG1 3.28Å; A11-I15 WeakPolarHBondContact O-CG1 3.49Å; A11-I15 PolarHBondContact O-N 3.48Å; F12-I15 PolarHBondContact O-N 3.32Å; I15-A17 PolarHBondContact O-N 3.18Å; I15-F18 PolarHBondContact O-N 3.31Å; I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 2.83Å
16I97.8Very high91.7Very high50 Ų5045.5 Ų45.526%0.25626%0.26SS..Hα-helixtrans-58.4-50.4176.1-67.3165.4000109.5F12 F18 V19 C20 G186 A190 L193F12-I16 VanDerWaalsContact O-CG1 3.26Å; F12-I16 WeakPolarHBondContact O-CG1 2.97Å; F12-I16 PolarHBondContact O-N 2.84Å; I16-F18 VanDerWaalsContact C-N 3.31Å; I16-F18 PolarHBondContact O-N 3.02Å; I16-V19 PolarHBondContact O-N 2.85Å; I16-C20 WeakPolarHBondContact O-CB 3.27Å; I16-C20 PolarHBondContact O-N 3.05Å; I16-C20 PolarHBondContact O-SG 2.93Å; I16-G186 WeakPolarHBondContact CG2-O 2.96Å; I16-A190 HydrophobicContact CB-CB 4.32Å; I16-A190 HydrophobicContact CG2-CB 4.08Å; I16-L193 HydrophobicContact CD1-CD1 3.86Å
17A97.9Very high93.6Very high0 Ų044.6 Ų44.60%026%0.255CS..Hα-helixtrans-58.7-42.117900000112.2A13 F14 I15 C20 V21 L101 L142 L187 A190A13-A17 VanDerWaalsContact O-CB 3.31Å; A13-A17 WeakPolarHBondContact O-CB 3.2Å; A13-A17 PolarHBondContact O-N 2.03Å; F14-A17 PolarHBondContact O-N 2.75Å; I15-A17 PolarHBondContact O-N 3.18Å; A17-C20 PolarHBondContact O-N 3Å; A17-V21 WeakPolarHBondContact O-CB 3.45Å; A17-V21 VanDerWaalsContact O-CG2 3.3Å; A17-V21 WeakPolarHBondContact O-CG2 3.42Å; A17-V21 PolarHBondContact O-N 3.38Å; A17-L101 HydrophobicContact CB-CD2 3.66Å; A17-L142 HydrophobicContact CB-CD1 4.09Å; A17-L142 HydrophobicContact CB-CD2 3.74Å; A17-L187 HydrophobicContact CB-CD2 4.39Å; A17-A190 HydrophobicContact CB-CB 4.02Å
18F98.1Very high94.8Very high131 Ų13140.6 Ų40.658%0.57524%0.238SC*.Hα-helixtrans-61.6-48.6178.8179.9-97.1000112F14 I15 I16 C20 V21 G22 L101F14-F18 WeakPolarHBondContact O-CB 3.47Å; F14-F18 PolarHBondContact O-N 3.14Å; I15-F18 PolarHBondContact O-N 3.31Å; I16-F18 VanDerWaalsContact C-N 3.31Å; I16-F18 PolarHBondContact O-N 3.02Å; F18-C20 VanDerWaalsContact C-N 3.33Å; F18-C20 PolarHBondContact O-N 3.25Å; F18-V21 PolarHBondContact O-N 3.39Å; F18-G22 PolarHBondContact O-N 3.17Å; F18-G22 VanDerWaalsContact O-N 3.09Å; F18-L101 HydrophobicContact CB-CD2 4.33Å; F18-L101 HydrophobicContact CD2-CD1 4.28Å
19V98.5Very high95.5Very high95 Ų9544.6 Ų44.658%0.57625%0.252SS*.Hα-helixtrans-62-43.1176.9174.60000110.7I15 I16 G22 G23I15-V19 WeakPolarHBondContact O-CG2 3.48Å; I15-V19 PolarHBondContact O-N 2.83Å; I16-V19 PolarHBondContact O-N 2.85Å; V19-G22 PolarHBondContact O-N 2.87Å; V19-G23 PolarHBondContact O-N 2.91Å
20C98.6Very high96Very high11 Ų1146 Ų467%0.07426%0.258CS..Hα-helixtrans-66.5-38.2179.2-67.40000113I16 A17 F18 G22 G23 I24 C183 G186 L187I16-C20 WeakPolarHBondContact O-CB 3.27Å; I16-C20 PolarHBondContact O-N 3.05Å; I16-C20 PolarHBondContact O-SG 2.93Å; A17-C20 PolarHBondContact O-N 3Å; F18-C20 VanDerWaalsContact C-N 3.33Å; F18-C20 PolarHBondContact O-N 3.25Å; C20-G22 VanDerWaalsContact C-N 3.34Å; C20-G23 PolarHBondContact O-N 2.81Å; C20-I24 WeakPolarHBondContact O-CG1 3.38Å; C20-I24 PolarHBondContact O-N 2.81Å; C20-C183 HydrophobicContact CB-CB 3.99Å; C20-C183 WeakPolarHBondContact CB-O 3.49Å; C20-C183 WeakPolarHBondContact O-CB 3.46Å; C20-G186 VanDerWaalsContact SG-CA 3.59Å; C20-L187 HydrophobicContact CB-CD2 3.63Å; C20-L187 HydrophobicContact CB-CG 3.87Å
21V98.5Very high96.5Very high13 Ų1347 Ų478%0.07927%0.265CS..Hα-helixtrans-62-43.5173.5168.40000110.8A17 F18 G23 I24 A25 F94 A97 L101 L187A17-V21 WeakPolarHBondContact O-CB 3.45Å; A17-V21 VanDerWaalsContact O-CG2 3.3Å; A17-V21 WeakPolarHBondContact O-CG2 3.42Å; A17-V21 PolarHBondContact O-N 3.38Å; F18-V21 PolarHBondContact O-N 3.39Å; V21-G23 PolarHBondContact O-N 3.34Å; V21-I24 PolarHBondContact O-N 3Å; V21-A25 PolarHBondContact O-N 3.35Å; V21-F94 HydrophobicContact CG1-CD2 3.93Å; V21-F94 HydrophobicContact CG1-CE2 3.59Å; V21-A97 HydrophobicContact CG2-CB 3.49Å; V21-A97 VanDerWaalsContact CG2-CB 3.49Å; V21-L101 HydrophobicContact CB-CD1 3.82Å; V21-L101 HydrophobicContact CG1-CD1 4.04Å; V21-L101 HydrophobicContact CG2-CD1 3.62Å; V21-L101 HydrophobicContact CG2-CG 4.22Å; V21-L187 HydrophobicContact CG2-CD2 4.12Å
22G98.3Very high96.8Very high37 Ų3746.6 Ų46.638%0.38126%0.256SS..Hα-helixtrans-59.5-44.5173.300000112.5F18 V19 C20 A25 V26F18-G22 PolarHBondContact O-N 3.17Å; F18-G22 VanDerWaalsContact O-N 3.09Å; V19-G22 PolarHBondContact O-N 2.87Å; C20-G22 VanDerWaalsContact C-N 3.34Å; G22-A25 WeakPolarHBondContact O-CB 3.39Å; G22-A25 PolarHBondContact O-N 3.17Å; G22-V26 WeakPolarHBondContact O-CG2 3.41Å; G22-V26 PolarHBondContact O-N 3.06Å
23G98.1Very high97Very high13 Ų1340.4 Ų40.413%0.13423%0.229CC..Hα-helixtrans-64.1-40.2176.400000113.6V19 C20 V21 A25 V26 A27 I179V19-G23 PolarHBondContact O-N 2.91Å; C20-G23 PolarHBondContact O-N 2.81Å; V21-G23 PolarHBondContact O-N 3.34Å; G23-A25 VanDerWaalsContact C-N 3.35Å; G23-A25 PolarHBondContact O-N 2.77Å; G23-V26 WeakPolarHBondContact O-CB 3.41Å; G23-V26 PolarHBondContact O-N 3.2Å; G23-A27 PolarHBondContact O-N 3.31Å; G23-I179 WeakPolarHBondContact O-CG2 3.27Å
24I98.2Very high97.1Very high0 Ų040.3 Ų40.30%023%0.228CC..Hα-helixtrans-64.1-41.4173.9-68.1172.3000110.7C20 V21 V26 A27 V28 L90 F94 C183 L187C20-I24 WeakPolarHBondContact O-CG1 3.38Å; C20-I24 PolarHBondContact O-N 2.81Å; V21-I24 PolarHBondContact O-N 3Å; I24-V26 VanDerWaalsContact C-N 3.31Å; I24-V26 PolarHBondContact O-N 3.02Å; I24-A27 PolarHBondContact O-N 3.23Å; I24-V28 HydrophobicContact CG2-CG2 4.27Å; I24-V28 VanDerWaalsContact O-CG2 3.28Å; I24-V28 WeakPolarHBondContact O-CG2 3.4Å; I24-V28 PolarHBondContact O-N 2.87Å; I24-L90 HydrophobicContact CG2-CD2 4.24Å; I24-F94 HydrophobicContact CG2-CB 3.87Å; I24-F94 HydrophobicContact CG2-CD2 4.47Å; I24-C183 HydrophobicContact CD1-CB 4.38Å; I24-C183 HydrophobicContact CG1-CB 3.74Å; I24-L187 HydrophobicContact CD1-CD1 3.34Å; I24-L187 HydrophobicContact CD1-CG 4.16Å
25A98.1Very high97.1Very high27 Ų2739.8 Ų39.822%0.22323%0.227CC..Hα-helixtrans-58.7-43.9174.700000111.7V21 G22 G23 V28 L29 F94V21-A25 PolarHBondContact O-N 3.35Å; G22-A25 WeakPolarHBondContact O-CB 3.39Å; G22-A25 PolarHBondContact O-N 3.17Å; G23-A25 VanDerWaalsContact C-N 3.35Å; G23-A25 PolarHBondContact O-N 2.77Å; A25-V28 PolarHBondContact O-N 2.9Å; A25-L29 WeakPolarHBondContact O-CG 3.47Å; A25-L29 PolarHBondContact O-N 3.26Å; A25-L29 VanDerWaalsContact O-N 3.13Å; A25-F94 HydrophobicContact CB-CD2 4.21Å; A25-F94 HydrophobicContact CB-CE2 3.78Å; A25-F94 HydrophobicContact CB-CZ 4.41Å
26V98Very high97.1Very high61 Ų6135.9 Ų35.937%0.3721%0.207SC..Hα-helixtrans-60.3-46.2174.2171.20000111.3G22 G23 I24 V28 L29 I30 I179G22-V26 WeakPolarHBondContact O-CG2 3.41Å; G22-V26 PolarHBondContact O-N 3.06Å; G23-V26 WeakPolarHBondContact O-CB 3.41Å; G23-V26 PolarHBondContact O-N 3.2Å; I24-V26 VanDerWaalsContact C-N 3.31Å; I24-V26 PolarHBondContact O-N 3.02Å; V26-V28 VanDerWaalsContact C-N 3.31Å; V26-V28 PolarHBondContact O-N 3.31Å; V26-L29 PolarHBondContact O-N 3.26Å; V26-I30 HydrophobicContact CG1-CD1 3.39Å; V26-I30 HydrophobicContact CG1-CG1 4Å; V26-I30 WeakPolarHBondContact O-CB 3.32Å; V26-I30 WeakPolarHBondContact O-CG1 3.48Å; V26-I30 PolarHBondContact O-N 3.41Å; V26-I179 HydrophobicContact CG1-CD1 4.15Å
27A97.5Very high96.8Very high0 Ų040.1 Ų40.10%022%0.22CC..Hα-helixtrans-64.7-3417900000112.9G23 I24 W33 A176 I179 A180G23-A27 PolarHBondContact O-N 3.31Å; I24-A27 PolarHBondContact O-N 3.23Å; A27-W33 HydrophobicContact CB-CZ2 4.3Å; A27-W33 PolarHBondContact O-NE1 3.2Å; A27-A176 HydrophobicContact CB-CB 4.37Å; A27-I179 HydrophobicContact CB-CB 4.46Å; A27-I179 HydrophobicContact CB-CG2 4.04Å; A27-A180 HydrophobicContact CB-CB 4.04Å
28V97Very high96.5Very high17 Ų1744.2 Ų44.210%0.10324%0.242CC..Hα-helixtrans-66.1-39.4175169.40000111.2I24 A25 V26 W55 L90 P91I24-V28 HydrophobicContact CG2-CG2 4.27Å; I24-V28 VanDerWaalsContact O-CG2 3.28Å; I24-V28 WeakPolarHBondContact O-CG2 3.4Å; I24-V28 PolarHBondContact O-N 2.87Å; A25-V28 PolarHBondContact O-N 2.9Å; V26-V28 VanDerWaalsContact C-N 3.31Å; V26-V28 PolarHBondContact O-N 3.31Å; V28-W55 HydrophobicContact CG1-CZ2 4.45Å; V28-W55 PolarHBondContact O-NE1 2.98Å; V28-L90 HydrophobicContact CG2-CB 3.66Å; V28-P91 HydrophobicContact CG1-CG 4.46Å
29L95.8Very high96Very high130 Ų13042.3 Ų42.368%0.68124%0.241SC*.Hα-helixtrans-91.4-33.2-170.7-65.3174.2000114.3A25 V26A25-L29 WeakPolarHBondContact O-CG 3.47Å; A25-L29 PolarHBondContact O-N 3.26Å; A25-L29 VanDerWaalsContact O-N 3.13Å; V26-L29 PolarHBondContact O-N 3.26Å
30I95.3Very high95.4Very high57 Ų5740.3 Ų40.329%0.29223%0.228SC..SBendtrans-74.2131.5-174.8-72.4-173.1000111.2V26 Q32V26-I30 HydrophobicContact CG1-CD1 3.39Å; V26-I30 HydrophobicContact CG1-CG1 4Å; V26-I30 WeakPolarHBondContact O-CB 3.32Å; V26-I30 WeakPolarHBondContact O-CG1 3.48Å; V26-I30 PolarHBondContact O-N 3.41Å; I30-Q32 HydrophobicContact CG2-CB 3.55Å; I30-Q32 HydrophobicContact CG2-CG 3.28Å; I30-Q32 PolarHBondContact O-N 3.27Å
31P94.6Very high94.7Very high31 Ų3149.8 Ų49.820%0.20127%0.269CS..SBendtrans-8358.6176.935.6-36.4000111.6Y51 A56P31-Y51 VanDerWaalsContact O-CB 3.32Å; P31-Y51 WeakPolarHBondContact O-CB 3.5Å; P31-A56 WeakPolarHBondContact CB-O 3.11Å
32Q95.3Very high94.3Very high35 Ų3553.5 Ų53.516%0.16429%0.288CS..  trans-136.952.8-177.4-58.7-73.2-65.800110.6I30 Y51 G174 F175 A176I30-Q32 HydrophobicContact CG2-CB 3.55Å; I30-Q32 HydrophobicContact CG2-CG 3.28Å; I30-Q32 PolarHBondContact O-N 3.27Å; Q32-Y51 VanDerWaalsContact NE2-CB 3.33Å; Q32-G174 CarbonylContact O-C 3.13Å; Q32-G174 WeakPolarHBondContact O-CA 3.24Å; Q32-F175 HydrophobicContact CB-CB 4.43Å; Q32-F175 PolarHBondContact O-N 2.91Å; Q32-A176 VanDerWaalsContact O-CB 3.3Å; Q32-A176 WeakPolarHBondContact O-CB 3.36Å; Q32-A176 PolarHBondContact O-N 2.92Å
33W96.7Very high93.4Very high0 Ų063.6 Ų63.60%032%0.315CS..SBendtrans-94.2-52.6175.8-84.778.7000111.6A27 D52 L54 L86 L90 F156 G174 A176 V177 A180A27-W33 HydrophobicContact CB-CZ2 4.3Å; A27-W33 PolarHBondContact O-NE1 3.2Å; W33-D52 WeakPolarHBondContact CB-O 3.37Å; W33-D52 PolarHBondContact N-O 2.76Å; W33-L54 HydrophobicContact CD2-CD1 3.63Å; W33-L54 HydrophobicContact CG-CD1 3.54Å; W33-L54 HydrophobicContact CZ2-CD1 4.17Å; W33-L86 HydrophobicContact CD2-CD1 4.27Å; W33-L86 HydrophobicContact CE3-CD1 3.44Å; W33-L86 VanDerWaalsContact CE3-CD1 3.44Å; W33-L86 HydrophobicContact CE3-CD2 4.42Å; W33-L86 HydrophobicContact CH2-CD1 4.11Å; W33-L86 HydrophobicContact CH2-CD2 3.53Å; W33-L86 HydrophobicContact CH2-CG 4.39Å; W33-L86 HydrophobicContact CZ2-CD2 4.39Å; W33-L86 HydrophobicContact CZ3-CD1 3.34Å; W33-L86 HydrophobicContact CZ3-CD2 3.54Å; W33-L86 HydrophobicContact CZ3-CG 4.06Å; W33-L90 HydrophobicContact CH2-CD1 3.53Å; W33-L90 HydrophobicContact CZ2-CD1 3.21Å; W33-F156 HydrophobicContact CB-CE2 4.46Å; W33-F156 HydrophobicContact CB-CZ 4.17Å; W33-F156 HydrophobicContact CE3-CD1 4.46Å; W33-F156 HydrophobicContact CE3-CD2 4.19Å; W33-F156 HydrophobicContact CE3-CE2 4.19Å; W33-F156 HydrophobicContact CE3-CG 4.3Å; W33-F156 HydrophobicContact CE3-CZ 4.35Å; W33-F156 VanDerWaalsContact O-CE1 3.24Å; W33-F156 WeakPolarHBondContact O-CE1 3.42Å; W33-F156 VanDerWaalsContact O-CZ 3.27Å; W33-F156 WeakPolarHBondContact O-CZ 3.43Å; W33-G174 PolarHBondContact O-N 3.31Å; W33-A176 HydrophobicContact CD2-CB 4.19Å; W33-A176 HydrophobicContact CG-CB 4.09Å; W33-A176 HydrophobicContact CZ2-CB 4.27Å; W33-A176 VanDerWaalsContact NE1-CB 3.25Å; W33-V177 HydrophobicContact CD2-CG2 4.33Å; W33-V177 HydrophobicContact CE3-CG2 3.68Å; W33-V177 HydrophobicContact CZ3-CB 4.41Å; W33-V177 HydrophobicContact CZ3-CG1 4.5Å; W33-V177 HydrophobicContact CZ3-CG2 4.02Å; W33-V177 WeakPolarHBondContact O-CG2 3.48Å; W33-A180 HydrophobicContact CH2-CB 3.58Å; W33-A180 HydrophobicContact CZ2-CB 3.88Å
34R96Very high92.8Very high1 Ų170.1 Ų70.10%0.00435%0.346CS..EExtended strand (participates in β ladder)trans-117.9132.5174.6-171.1160.4-73.4157.3-3.5109.8Y51 D52 D82 F156 M163 F171R34-Y51 WeakPolarHBondContact O-CA 3.27Å; R34-D52 HydrophobicContact CB-CB 4.09Å; R34-D52 PolarHBondContact N-O 3.12Å; R34-D52 PolarHBondContact O-N 3.09Å; R34-D82 IonicContact CZ-OD2 3.83Å; R34-D82 IonicContact NH1-OD1 3.34Å; R34-D82 IonicContact NH1-OD2 2.74Å; R34-D82 PolarHBondContact NH1-OD2 2.94Å; R34-D82 VanDerWaalsContact NH1-OD2 3.1Å; R34-D82 IonicContact NH2-OD2 3.38Å; R34-D82 PolarHBondContact NH2-OD2 3.18Å; R34-F156 HydrophobicContact CB-CZ 3.95Å; R34-M163 VanDerWaalsContact NE-CE 3.26Å; R34-F171 HydrophobicContact CG-CD1 4.3Å
35I95.6Very high92.2Very high31 Ų3172.2 Ų72.216%0.15936%0.364CS..EExtended strand (participates in β ladder)trans-116.2118.8175.3-49.6178.5000107.9V50 Y51 F171 S172I35-V50 CarbonylContact C-O 3.6Å; I35-V50 WeakPolarHBondContact CA-O 3.24Å; I35-Y51 HydrophobicContact CB-CD1 4.33Å; I35-Y51 HydrophobicContact CB-CE1 4.49Å; I35-Y51 HydrophobicContact CD1-CD1 4.02Å; I35-Y51 HydrophobicContact CD1-CE1 3.8Å; I35-Y51 HydrophobicContact CG1-CD1 3.71Å; I35-Y51 HydrophobicContact CG1-CE1 3.96Å; I35-Y51 HydrophobicContact CG2-CD1 3.98Å; I35-Y51 HydrophobicContact CG2-CE1 3.82Å; I35-F171 CarbonylContact O-C 3.57Å; I35-F171 WeakPolarHBondContact O-CA 3.48Å; I35-S172 WeakPolarHBondContact CB-OG 3.27Å; I35-S172 PolarHBondContact N-O 2.86Å; I35-S172 PolarHBondContact O-N 3.47Å; I35-S172 PolarHBondContact O-OG 3.48Å
36T94.7Very high91.7Very high13 Ų1376.6 Ų76.68%0.0838%0.378CS..EExtended strand (participates in β ladder)trans-111.3122176.9-50.20000109.2L38 T49 V50 I170 F171T36-L38 HydrophobicContact CG2-CD2 4.1Å; T36-L38 HydrophobicContact CG2-CG 4.49Å; T36-T49 WeakPolarHBondContact O-CA 3.38Å; T36-V50 PolarHBondContact N-O 3.44Å; T36-V50 PolarHBondContact O-N 2.88Å; T36-I170 WeakPolarHBondContact CA-O 3.49Å; T36-I170 HydrophobicContact CG2-CD1 4.19Å; T36-I170 HydrophobicContact CG2-CG1 4.37Å; T36-F171 HydrophobicContact CG2-CD1 4.01Å; T36-F171 HydrophobicContact CG2-CE1 3.85Å; T36-F171 WeakPolarHBondContact OG1-CD1 3.34Å
37R92Very high91.4Very high140 Ų14075.6 Ų75.653%0.52837%0.37SS..EExtended strand (participates in β ladder)trans-99.7114.5177.2-165.9173-157.5-174.54.6110.2V39 T49 I170R37-V39 HydrophobicContact CG-CG2 4.17Å; R37-T49 HydrophobicContact CG-CG2 4.05Å; R37-I170 PolarHBondContact N-O 2.88Å
38L91Very high91.2Very high86 Ų8677.4 Ų77.445%0.4538%0.381SS..EExtended strand (participates in β ladder)trans-99.7101.5177.2-57.5172.4000108T36 V48 V50T36-L38 HydrophobicContact CG2-CD2 4.1Å; T36-L38 HydrophobicContact CG2-CG 4.49Å; L38-V48 WeakPolarHBondContact CB-O 3.15Å; L38-V48 PolarHBondContact N-O 3.13Å; L38-V48 PolarHBondContact O-N 2.74Å; L38-V48 VanDerWaalsContact O-N 3.1Å; L38-V50 HydrophobicContact CD1-CG2 3.9Å
39V88.2Confident91.1Very high91 Ų9177.4 Ų77.455%0.55238%0.382SS*.  trans-91.2130.2174.2-175.90000108R37R37-V39 HydrophobicContact CG-CG2 4.17Å
40T86.3Confident91.1Very high52 Ų5272 Ų7232%0.31935%0.354SS..  trans-102.5138.3177.9179.30000110.1N42 A45 N47T40-N42 VanDerWaalsContact C-N 3.26Å; T40-N42 PolarHBondContact OG1-N 3.42Å; T40-A45 HydrophobicContact CG2-CB 3.51Å; T40-A45 VanDerWaalsContact CG2-O 3.26Å; T40-A45 WeakPolarHBondContact CG2-O 3.3Å; T40-N47 PolarHBondContact N-OD1 2.92Å
41F84.5Confident91.1Very high211 Ų21171 Ų7193%0.92535%0.346SS*.SBendtrans-79.3-12.7175.4-64.9-77.4000112.6R43F41-R43 PolarHBondContact O-N 2.93Å
42N88.3Confident91.1Very high91 Ų9169.8 Ų69.849%0.48734%0.338SS..  trans-77114.1176.3-175.6-12.4000109.7T40 N44 A45T40-N42 VanDerWaalsContact C-N 3.26Å; T40-N42 PolarHBondContact OG1-N 3.42Å; N42-N44 PolarHBondContact O-N 2.82Å; N42-N44 VanDerWaalsContact O-N 3.08Å; N42-N44 PolarHBondContact OD1-N 3.21Å; N42-A45 HydrophobicContact CB-CB 4.1Å; N42-A45 PolarHBondContact O-N 3.24Å
43R81Confident91.2Very high248 Ų24868.1 Ų68.194%0.93633%0.331SS*.THydrogen-bonded Turntrans-56.4-23.8179.1-80.7-177.5166.5165.8-3.1114.4F41F41-R43 PolarHBondContact O-N 2.93Å
44N84.2Confident91.1Very high150 Ų15068.1 Ų68.180%0.80233%0.331SS*.THydrogen-bonded Turntrans-88.2-11.6179.8-63.2-23000113N42N42-N44 PolarHBondContact O-N 2.82Å; N42-N44 VanDerWaalsContact O-N 3.08Å; N42-N44 PolarHBondContact OD1-N 3.21Å
45A85.4Confident91.1Very high44 Ų4472.4 Ų72.436%0.36435%0.347SS..SBendtrans-98.9139.6179.400000110.3T40 N42T40-A45 HydrophobicContact CG2-CB 3.51Å; T40-A45 VanDerWaalsContact CG2-O 3.26Å; T40-A45 WeakPolarHBondContact CG2-O 3.3Å; N42-A45 HydrophobicContact CB-CB 4.1Å; N42-A45 PolarHBondContact O-N 3.24Å
46K88.3Confident91.2Very high120 Ų12071.4 Ų71.452%0.52234%0.343SS..PPolyproline II helixtrans-84.7148.2176.8-58.3-173.4176-175.10110.2Q61 D62K46-Q61 HydrophobicContact CB-CG 3.82Å; K46-Q61 HydrophobicContact CD-CG 4.12Å; K46-D62 WeakPolarHBondContact CD-O 3.1Å
47N91.4Very high91.2Very high39 Ų3973 Ų7321%0.20935%0.349CS..PPolyproline II helixtrans-70.5155.2174-44.2-57.3000110.6T40 D62T40-N47 PolarHBondContact N-OD1 2.92Å; N47-D62 WeakPolarHBondContact CB-OD2 3.25Å; N47-D62 PolarHBondContact ND2-OD2 2.92Å; N47-D62 PolarHBondContact O-N 3.03Å
48V93.6Very high91.4Very high38 Ų3866.6 Ų66.623%0.2333%0.326CS..EExtended strand (participates in β ladder)trans-128.5131.6-176.7178.20000108.9L38 V50 V59 R60 Q61L38-V48 WeakPolarHBondContact CB-O 3.15Å; L38-V48 PolarHBondContact N-O 3.13Å; L38-V48 PolarHBondContact O-N 2.74Å; L38-V48 VanDerWaalsContact O-N 3.1Å; V48-V50 HydrophobicContact CG1-CG2 4.28Å; V48-V59 HydrophobicContact CG1-CG1 3.19Å; V48-R60 WeakPolarHBondContact CA-O 3.41Å; V48-Q61 HydrophobicContact CG2-CG 4.38Å
49T94.6Very high91.6Very high18 Ų1863.6 Ų63.611%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-108.7123.6171.750.10000109.1T36 R37 Y51 R60T36-T49 WeakPolarHBondContact O-CA 3.38Å; R37-T49 HydrophobicContact CG-CG2 4.05Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.34Å; T49-R60 PolarHBondContact N-O 3.28Å; T49-R60 PolarHBondContact O-N 3Å; T49-R60 PolarHBondContact OG1-O 3.49Å
50V95.3Very high91.9Very high16 Ų1664 Ų6410%0.09730%0.303CS..EExtended strand (participates in β ladder)trans-103.3125.5179.4-178.10000108.4I35 T36 L38 V48 K57 V59I35-V50 CarbonylContact C-O 3.6Å; I35-V50 WeakPolarHBondContact CA-O 3.24Å; T36-V50 PolarHBondContact N-O 3.44Å; T36-V50 PolarHBondContact O-N 2.88Å; L38-V50 HydrophobicContact CD1-CG2 3.9Å; V48-V50 HydrophobicContact CG1-CG2 4.28Å; V50-K57 HydrophobicContact CG1-CD 4.44Å; V50-K57 HydrophobicContact CG1-CG 4.43Å; V50-V59 HydrophobicContact CG1-CG2 4.41Å; V50-V59 HydrophobicContact CG2-CG1 4.38Å; V50-V59 HydrophobicContact CG2-CG2 4.36Å
51Y96Very high92.2Very high35 Ų3564.1 Ų64.114%0.13730%0.299CS..EExtended strand (participates in β ladder)trans-112.5108.5178.9-60.8-89.2000109.3P31 Q32 R34 I35 T49 C58 R60P31-Y51 VanDerWaalsContact O-CB 3.32Å; P31-Y51 WeakPolarHBondContact O-CB 3.5Å; Q32-Y51 VanDerWaalsContact NE2-CB 3.33Å; R34-Y51 WeakPolarHBondContact O-CA 3.27Å; I35-Y51 HydrophobicContact CB-CD1 4.33Å; I35-Y51 HydrophobicContact CB-CE1 4.49Å; I35-Y51 HydrophobicContact CD1-CD1 4.02Å; I35-Y51 HydrophobicContact CD1-CE1 3.8Å; I35-Y51 HydrophobicContact CG1-CD1 3.71Å; I35-Y51 HydrophobicContact CG1-CE1 3.96Å; I35-Y51 HydrophobicContact CG2-CD1 3.98Å; I35-Y51 HydrophobicContact CG2-CE1 3.82Å; T49-Y51 WeakPolarHBondContact OG1-CE2 3.34Å; Y51-C58 WeakPolarHBondContact CA-O 3.47Å; Y51-C58 WeakPolarHBondContact CB-O 3.39Å; Y51-C58 PolarHBondContact N-O 2.71Å; Y51-C58 PolarHBondContact O-N 3.15Å; Y51-R60 HydrophobicContact CD2-CG 3.94Å; Y51-R60 HydrophobicContact CE2-CB 3.98Å; Y51-R60 HydrophobicContact CE2-CG 3.58Å
52D95.6Very high92.4Very high6 Ų656.9 Ų56.93%0.03227%0.27CS..EExtended strand (participates in β ladder)trans-90.2130.5175.6-52.3-51.5000109.5W33 R34 K57 W74 L83W33-D52 WeakPolarHBondContact CB-O 3.37Å; W33-D52 PolarHBondContact N-O 2.76Å; R34-D52 HydrophobicContact CB-CB 4.09Å; R34-D52 PolarHBondContact N-O 3.12Å; R34-D52 PolarHBondContact O-N 3.09Å; D52-K57 WeakPolarHBondContact OD1-CD 3.47Å; D52-K57 WeakPolarHBondContact OD1-CE 3.45Å; D52-K57 IonicContact OD1-NZ 3.24Å; D52-K57 PolarHBondContact OD1-NZ 3.16Å; D52-W74 HydrophobicContact CB-CZ2 4.17Å; D52-L83 HydrophobicContact CB-CD2 4.32Å
53G95.9Very high92.3Very high0 Ų056.6 Ų56.60%029%0.289CS..  trans-107.5-176.617000000112.8A56 W74G53-A56 VanDerWaalsContact CA-O 3.24Å; G53-A56 WeakPolarHBondContact CA-O 3.1Å; G53-A56 PolarHBondContact N-O 3.05Å; G53-W74 PolarHBondContact O-NE1 3.36Å
54L96.1Very high92.6Very high1 Ų151 Ų511%0.00527%0.269CS..SBendtrans-71.2-45.1169.1-86.965.3000111W33 L86 Q87 L90W33-L54 HydrophobicContact CD2-CD1 3.63Å; W33-L54 HydrophobicContact CG-CD1 3.54Å; W33-L54 HydrophobicContact CZ2-CD1 4.17Å; L54-L86 HydrophobicContact CD1-CB 4.39Å; L54-L86 HydrophobicContact CD2-CB 4.27Å; L54-L86 HydrophobicContact CG-CB 4.33Å; L54-Q87 HydrophobicContact CB-CG 4.06Å; L54-Q87 HydrophobicContact CG-CG 4.09Å; L54-Q87 PolarHBondContact O-NE2 2.89Å; L54-L90 HydrophobicContact CD2-CD1 3.96Å
55W96.3Very high92.7Very high91 Ų9149.1 Ų49.135%0.34527%0.268SS..SBendtrans-107.3-35.1-170.1-50.1108.7000113.6V28 Y75 Q87 P91V28-W55 HydrophobicContact CG1-CZ2 4.45Å; V28-W55 PolarHBondContact O-NE1 2.98Å; W55-Y75 HydrophobicContact CE3-CG 4.48Å; W55-Y75 PolarHBondContact O-N 3.46Å; W55-Y75 VanDerWaalsContact O-N 3.15Å; W55-Q87 HydrophobicContact CH2-CB 4.13Å; W55-Q87 HydrophobicContact CH2-CG 4.33Å; W55-Q87 HydrophobicContact CZ3-CB 4.47Å; W55-Q87 HydrophobicContact CZ3-CG 4.32Å; W55-P91 HydrophobicContact CH2-CG 4.38Å; W55-P91 HydrophobicContact CZ2-CG 3.81Å
56A95.8Very high92.9Very high9 Ų948.5 Ų48.57%0.07427%0.265CS..  trans-130.8157.5-177.300000111.1P31 G53 Y70 D71 W74P31-A56 WeakPolarHBondContact CB-O 3.11Å; G53-A56 VanDerWaalsContact CA-O 3.24Å; G53-A56 WeakPolarHBondContact CA-O 3.1Å; G53-A56 PolarHBondContact N-O 3.05Å; A56-Y70 HydrophobicContact CB-CE1 4.13Å; A56-Y70 HydrophobicContact CB-CE2 3.68Å; A56-Y70 WeakPolarHBondContact CB-OH 3.34Å; A56-D71 WeakPolarHBondContact CA-O 3.42Å; A56-W74 VanDerWaalsContact C-CD1 3.49Å
57K95.6Very high93.1Very high47 Ų4744.7 Ų44.720%0.20425%0.254CS..EExtended strand (participates in β ladder)trans-120.6137.9175.5177.2172.7-175.6135.90109.8V50 D52 Y70 D71 W74V50-K57 HydrophobicContact CG1-CD 4.44Å; V50-K57 HydrophobicContact CG1-CG 4.43Å; D52-K57 WeakPolarHBondContact OD1-CD 3.47Å; D52-K57 WeakPolarHBondContact OD1-CE 3.45Å; D52-K57 IonicContact OD1-NZ 3.24Å; D52-K57 PolarHBondContact OD1-NZ 3.16Å; K57-Y70 WeakPolarHBondContact O-CA 3.4Å; K57-D71 HydrophobicContact CB-CB 4.34Å; K57-D71 PolarHBondContact N-O 2.99Å; K57-D71 PolarHBondContact O-N 3.01Å; K57-W74 HydrophobicContact CB-CB 3.84Å; K57-W74 HydrophobicContact CB-CD2 3.76Å; K57-W74 HydrophobicContact CB-CE3 4.2Å; K57-W74 HydrophobicContact CB-CG 3.59Å; K57-W74 HydrophobicContact CD-CD2 3.98Å; K57-W74 HydrophobicContact CD-CE3 3.67Å; K57-W74 HydrophobicContact CD-CH2 4.32Å; K57-W74 HydrophobicContact CD-CZ3 3.87Å; K57-W74 HydrophobicContact CG-CD2 4.48Å
58C95.5Very high93.2Very high6 Ų649.9 Ų49.94%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-126.3128.4-179.81790000111.2Y51 C67 Y69 Y70Y51-C58 WeakPolarHBondContact CA-O 3.47Å; Y51-C58 WeakPolarHBondContact CB-O 3.39Å; Y51-C58 PolarHBondContact N-O 2.71Å; Y51-C58 PolarHBondContact O-N 3.15Å; C58-C67 WeakPolarHBondContact CA-SG 3.37Å; C58-C67 HydrophobicContact CB-CB 4.34Å; C58-C67 WeakPolarHBondContact CB-SG 3.23Å; C58-C67 WeakPolarHBondContact SG-CA 3.33Å; C58-C67 WeakPolarHBondContact SG-CB 3.29Å; C58-C67 CovalentContact SG-SG 2.03Å; C58-C67 PolarHBondContact SG-SG 3.1Å; C58-Y69 CarbonylContact C-O 3.59Å; C58-Y69 WeakPolarHBondContact CA-O 3.35Å; C58-Y70 HydrophobicContact CB-CD2 4.37Å
59V95.6Very high93.2Very high23 Ų2354.4 Ų54.414%0.13929%0.285CS..EExtended strand (participates in β ladder)trans-107.2128.6173.6-176.30000108.1V48 V50 Y68 Y69V48-V59 HydrophobicContact CG1-CG1 3.19Å; V50-V59 HydrophobicContact CG1-CG2 4.41Å; V50-V59 HydrophobicContact CG2-CG1 4.38Å; V50-V59 HydrophobicContact CG2-CG2 4.36Å; V59-Y68 WeakPolarHBondContact O-CA 3.36Å; V59-Y68 WeakPolarHBondContact O-CB 3.1Å; V59-Y68 PolarHBondContact O-N 2.92Å; V59-Y69 HydrophobicContact CG2-CD1 4.01Å; V59-Y69 PolarHBondContact N-O 3.16Å; V59-Y69 PolarHBondContact O-N 2.92Å
60R94.4Very high93.3Very high100 Ų10060 Ų6038%0.37731%0.305SS..EExtended strand (participates in β ladder)trans-115.9139.2172.3-55.3-165174.5171.4-4.7110.1V48 T49 Y51 G66V48-R60 WeakPolarHBondContact CA-O 3.41Å; T49-R60 PolarHBondContact N-O 3.28Å; T49-R60 PolarHBondContact O-N 3Å; T49-R60 PolarHBondContact OG1-O 3.49Å; Y51-R60 HydrophobicContact CD2-CG 3.94Å; Y51-R60 HydrophobicContact CE2-CB 3.98Å; Y51-R60 HydrophobicContact CE2-CG 3.58Å; R60-G66 WeakPolarHBondContact CD-O 3.42Å; R60-G66 WeakPolarHBondContact CG-O 3.36Å
61Q93.5Very high93.3Very high54 Ų5460.1 Ų60.125%0.25231%0.306SS..EExtended strand (participates in β ladder)trans-105.9143.1176.1-169.9178.622.600109.5K46 V48 G63 Y64 Y68K46-Q61 HydrophobicContact CB-CG 3.82Å; K46-Q61 HydrophobicContact CD-CG 4.12Å; V48-Q61 HydrophobicContact CG2-CG 4.38Å; Q61-G63 PolarHBondContact O-N 3.34Å; Q61-Y64 PolarHBondContact O-N 3.46Å; Q61-Y64 VanDerWaalsContact O-N 3.07Å; Q61-Y68 HydrophobicContact CB-CG 4.49Å
62D88.5Confident93.2Very high58 Ų5862.2 Ų62.231%0.3133%0.325SS..THydrogen-bonded Turntrans-55.3129.6178.6-77.5-10.1000111.4K46 N47K46-D62 WeakPolarHBondContact CD-O 3.1Å; N47-D62 WeakPolarHBondContact CB-OD2 3.25Å; N47-D62 PolarHBondContact ND2-OD2 2.92Å; N47-D62 PolarHBondContact O-N 3.03Å
63G84.9Confident93.2Very high86 Ų8667.3 Ų67.389%0.88735%0.349SS*.THydrogen-bonded Turntrans83.31.2-178.500000115.7Q61Q61-G63 PolarHBondContact O-N 3.34Å
64Y88.5Confident93.1Very high129 Ų12968.7 Ų68.751%0.50635%0.354SS..  trans-104.3130.2168.9-173.4-102.3000110.8Q61Q61-Y64 PolarHBondContact O-N 3.46Å; Q61-Y64 VanDerWaalsContact O-N 3.07Å
65S87Confident92.9Very high111 Ų11174.9 Ų74.978%0.77638%0.378SS*.  trans-85117.6173.257.70000110.1
66G88.9Confident92.7Very high31 Ų3174 Ų7432%0.3239%0.386SS..SBendtrans106.6-164.7176.200000113.2R60R60-G66 WeakPolarHBondContact CD-O 3.42Å; R60-G66 WeakPolarHBondContact CG-O 3.36Å
67C93Very high92.6Very high41 Ų4178.3 Ų78.328%0.27740%0.403SS..  trans-86.9113.4-179-153.70000110C58 Y69C58-C67 WeakPolarHBondContact CA-SG 3.37Å; C58-C67 HydrophobicContact CB-CB 4.34Å; C58-C67 WeakPolarHBondContact CB-SG 3.23Å; C58-C67 WeakPolarHBondContact SG-CA 3.33Å; C58-C67 WeakPolarHBondContact SG-CB 3.29Å; C58-C67 CovalentContact SG-SG 2.03Å; C58-C67 PolarHBondContact SG-SG 3.1Å; C67-Y69 PolarHBondContact SG-O 3.3Å
68Y93.1Very high92.5Very high147 Ų14776 Ų7658%0.57639%0.393SS*.SBendtrans-70.3-42176.4175.2-100.4000111V59 Q61V59-Y68 WeakPolarHBondContact O-CA 3.36Å; V59-Y68 WeakPolarHBondContact O-CB 3.1Å; V59-Y68 PolarHBondContact O-N 2.92Å; Q61-Y68 HydrophobicContact CB-CG 4.49Å
69Y94.1Very high92.2Very high133 Ų13382.3 Ų82.352%0.52243%0.426SS..EExtended strand (participates in β ladder)trans-135.5122.8174.8175.3-95000109.9C58 V59 C67 D71C58-Y69 CarbonylContact C-O 3.59Å; C58-Y69 WeakPolarHBondContact CA-O 3.35Å; V59-Y69 HydrophobicContact CG2-CD1 4.01Å; V59-Y69 PolarHBondContact N-O 3.16Å; V59-Y69 PolarHBondContact O-N 2.92Å; C67-Y69 PolarHBondContact SG-O 3.3Å; Y69-D71 HydrophobicContact CE1-CB 3.92Å
70Y95.4Very high92Very high136 Ų13684.2 Ų84.253%0.53343%0.434SS..EExtended strand (participates in β ladder)trans-117.5116.9-178.7-173.7-97.3000109.6A56 K57 C58A56-Y70 HydrophobicContact CB-CE1 4.13Å; A56-Y70 HydrophobicContact CB-CE2 3.68Å; A56-Y70 WeakPolarHBondContact CB-OH 3.34Å; K57-Y70 WeakPolarHBondContact O-CA 3.4Å; C58-Y70 HydrophobicContact CB-CD2 4.37Å
71D95.9Very high92Very high19 Ų1986.3 Ų86.310%0.10245%0.451CS..EExtended strand (participates in β ladder)trans-102.1106.5175.2-174-3.5000109.2A56 K57 Y69 E73 W74 K77A56-D71 WeakPolarHBondContact CA-O 3.42Å; K57-D71 HydrophobicContact CB-CB 4.34Å; K57-D71 PolarHBondContact N-O 2.99Å; K57-D71 PolarHBondContact O-N 3.01Å; Y69-D71 HydrophobicContact CE1-CB 3.92Å; D71-E73 PolarHBondContact OD1-N 3.33Å; D71-W74 HydrophobicContact CB-CB 4.39Å; D71-W74 WeakPolarHBondContact O-CB 3.49Å; D71-W74 PolarHBondContact OD1-N 3.33Å; D71-K77 IonicContact OD1-NZ 3.77Å; D71-K77 IonicContact OD2-NZ 3.1Å
72S94Very high92Very high79 Ų7984.3 Ų84.355%0.55244%0.442SS*.THydrogen-bonded Turntrans-78.8-19.2176.853.80000113.4W74S72-W74 VanDerWaalsContact C-N 3.3Å
73E95Very high92.3Very high113 Ų11381.5 Ų81.553%0.52843%0.428SS..THydrogen-bonded Turntrans-922.4178.5-62.9-176.3161.100112.2D71 Y75 S76 K77D71-E73 PolarHBondContact OD1-N 3.33Å; E73-Y75 PolarHBondContact O-N 2.82Å; E73-Y75 VanDerWaalsContact O-N 3.09Å; E73-S76 PolarHBondContact O-N 3.01Å; E73-S76 PolarHBondContact O-OG 3.17Å; E73-K77 IonicContact OE2-NZ 3.65Å; E73-K77 PolarHBondContact OE2-NZ 3.02Å
74W94Very high92.8Very high29 Ų2983.2 Ų83.211%0.1141%0.407CS..Hα-helixtrans-46.4-42.8-179.8168-113.5000112.5D52 G53 A56 K57 D71 S72 S76 K77 V78 L83D52-W74 HydrophobicContact CB-CZ2 4.17Å; G53-W74 PolarHBondContact O-NE1 3.36Å; A56-W74 VanDerWaalsContact C-CD1 3.49Å; K57-W74 HydrophobicContact CB-CB 3.84Å; K57-W74 HydrophobicContact CB-CD2 3.76Å; K57-W74 HydrophobicContact CB-CE3 4.2Å; K57-W74 HydrophobicContact CB-CG 3.59Å; K57-W74 HydrophobicContact CD-CD2 3.98Å; K57-W74 HydrophobicContact CD-CE3 3.67Å; K57-W74 HydrophobicContact CD-CH2 4.32Å; K57-W74 HydrophobicContact CD-CZ3 3.87Å; K57-W74 HydrophobicContact CG-CD2 4.48Å; D71-W74 HydrophobicContact CB-CB 4.39Å; D71-W74 WeakPolarHBondContact O-CB 3.49Å; D71-W74 PolarHBondContact OD1-N 3.33Å; S72-W74 VanDerWaalsContact C-N 3.3Å; W74-S76 PolarHBondContact O-N 2.9Å; W74-K77 CarbonylContact O-C 3.58Å; W74-K77 PolarHBondContact O-N 2.75Å; W74-V78 HydrophobicContact CD2-CG2 4.01Å; W74-V78 HydrophobicContact CG-CG2 4.27Å; W74-V78 HydrophobicContact CZ2-CG2 3.94Å; W74-V78 VanDerWaalsContact O-CG2 3.23Å; W74-V78 WeakPolarHBondContact O-CG2 3.38Å; W74-V78 PolarHBondContact O-N 3.19Å; W74-V78 VanDerWaalsContact O-N 3.12Å; W74-L83 HydrophobicContact CZ2-CD2 4.15Å
75Y92.7Very high93.1Very high131 Ų13180.8 Ų80.851%0.51440%0.403SS..Hα-helixtrans-51.6-34.1-178.981.4-88.5000113.9W55 E73 Q87W55-Y75 HydrophobicContact CE3-CG 4.48Å; W55-Y75 PolarHBondContact O-N 3.46Å; W55-Y75 VanDerWaalsContact O-N 3.15Å; E73-Y75 PolarHBondContact O-N 2.82Å; E73-Y75 VanDerWaalsContact O-N 3.09Å; Y75-Q87 PolarHBondContact O-NE2 3.5Å
76S92.1Very high93.6Very high71 Ų7175.5 Ų75.550%0.49737%0.366SS..Hα-helixtrans-81.3-22-17969.50000113.2E73 W74E73-S76 PolarHBondContact O-N 3.01Å; E73-S76 PolarHBondContact O-OG 3.17Å; W74-S76 PolarHBondContact O-N 2.9Å
77K93.1Very high93.9Very high100 Ų10075.5 Ų75.544%0.43536%0.357SS..Hα-helixtrans-100.3-1.6-176.9-58.6172.8-168.9156.60112.6D71 E73 W74 D79D71-K77 IonicContact OD1-NZ 3.77Å; D71-K77 IonicContact OD2-NZ 3.1Å; E73-K77 IonicContact OE2-NZ 3.65Å; E73-K77 PolarHBondContact OE2-NZ 3.02Å; W74-K77 CarbonylContact O-C 3.58Å; W74-K77 PolarHBondContact O-N 2.75Å; K77-D79 PolarHBondContact O-N 3.15Å; K77-D79 VanDerWaalsContact O-N 3.16Å
78V93Very high94.1Very high0 Ų080.2 Ų80.20%037%0.373CS..  trans-66.3113178.8-178.70000109.4W74 L83 R84W74-V78 HydrophobicContact CD2-CG2 4.01Å; W74-V78 HydrophobicContact CG-CG2 4.27Å; W74-V78 HydrophobicContact CZ2-CG2 3.94Å; W74-V78 VanDerWaalsContact O-CG2 3.23Å; W74-V78 WeakPolarHBondContact O-CG2 3.38Å; W74-V78 PolarHBondContact O-N 3.19Å; W74-V78 VanDerWaalsContact O-N 3.12Å; V78-L83 HydrophobicContact CG1-CB 3.63Å; V78-L83 HydrophobicContact CG1-CD2 4.26Å; V78-R84 HydrophobicContact CG1-CG 4.16Å; V78-R84 PolarHBondContact O-NE 3.34Å; V78-R84 PolarHBondContact O-NH2 2.87Å
79D90.1Very high94.3Very high138 Ų13873.9 Ų73.974%0.73835%0.35SS*.  trans-100.8-3.8173.8-74.3-25.9000113.5K77 L81 R84K77-D79 PolarHBondContact O-N 3.15Å; K77-D79 VanDerWaalsContact O-N 3.16Å; D79-L81 PolarHBondContact O-N 3.38Å; D79-R84 IonicContact OD1-NH2 2.67Å; D79-R84 PolarHBondContact OD1-NH2 3.49Å
80Q91.2Very high94.5Very high63 Ų6367.5 Ų67.529%0.29433%0.325SS..  trans-82.2120-178.4-57.3-177.4-27.600110.7D82 L83 R84Q80-D82 VanDerWaalsContact C-N 3.28Å; Q80-D82 WeakPolarHBondContact CB-OD1 3.28Å; Q80-D82 PolarHBondContact O-N 2.97Å; Q80-L83 HydrophobicContact CB-CD1 4.25Å; Q80-L83 PolarHBondContact O-N 3.05Å; Q80-R84 PolarHBondContact O-N 3.5Å
81L93.2Very high94.6Very high143 Ų14363 Ų6375%0.74931%0.313SS*.Hα-helixtrans-59.8-36.5-175.3179.864.7000113.2D79 R84 L85D79-L81 PolarHBondContact O-N 3.38Å; L81-R84 PolarHBondContact O-N 2.96Å; L81-L85 WeakPolarHBondContact O-CB 3.25Å; L81-L85 PolarHBondContact O-N 3.26Å
82D94.4Very high94.7Very high12 Ų1264.2 Ų64.26%0.06432%0.321CS..Hα-helixtrans-62.7-47.4177.851.1-6.6000112.1R34 Q80 L85 L86 F156 R159R34-D82 IonicContact CZ-OD2 3.83Å; R34-D82 IonicContact NH1-OD1 3.34Å; R34-D82 IonicContact NH1-OD2 2.74Å; R34-D82 PolarHBondContact NH1-OD2 2.94Å; R34-D82 VanDerWaalsContact NH1-OD2 3.1Å; R34-D82 IonicContact NH2-OD2 3.38Å; R34-D82 PolarHBondContact NH2-OD2 3.18Å; Q80-D82 VanDerWaalsContact C-N 3.28Å; Q80-D82 WeakPolarHBondContact CB-OD1 3.28Å; Q80-D82 PolarHBondContact O-N 2.97Å; D82-L85 PolarHBondContact O-N 2.86Å; D82-L86 WeakPolarHBondContact O-CD1 3.47Å; D82-L86 WeakPolarHBondContact O-CG 3.26Å; D82-L86 PolarHBondContact O-N 3.1Å; D82-F156 HydrophobicContact CB-CD2 4.34Å; D82-R159 HydrophobicContact CB-CG 4.36Å; D82-R159 VanDerWaalsContact OD2-CG 3.29Å; D82-R159 WeakPolarHBondContact OD2-CG 3.45Å
83L94.8Very high94.8Very high0 Ų060.4 Ų60.40%029%0.294CS..Hα-helixtrans-66.6-38175.3-84.374.1000111.8D52 W74 V78 Q80 L85 L86 Q87 F156D52-L83 HydrophobicContact CB-CD2 4.32Å; W74-L83 HydrophobicContact CZ2-CD2 4.15Å; V78-L83 HydrophobicContact CG1-CB 3.63Å; V78-L83 HydrophobicContact CG1-CD2 4.26Å; Q80-L83 HydrophobicContact CB-CD1 4.25Å; Q80-L83 PolarHBondContact O-N 3.05Å; L83-L85 VanDerWaalsContact C-N 3.35Å; L83-L85 PolarHBondContact O-N 3.09Å; L83-L86 WeakPolarHBondContact O-CB 3.37Å; L83-L86 PolarHBondContact O-N 3.37Å; L83-Q87 WeakPolarHBondContact O-CG 3.47Å; L83-Q87 PolarHBondContact O-N 2.85Å; L83-F156 HydrophobicContact CD1-CD2 4.38Å; L83-F156 HydrophobicContact CD1-CE2 3.64Å; L83-F156 HydrophobicContact CG-CE2 4.46Å
84R95.1Very high95Very high122 Ų12258.6 Ų58.646%0.4629%0.285SS..Hα-helixtrans-63-40.9176.2-73.9-162.9-178-168.75.4112.7V78 D79 Q80 L81 L86 Q87 F88V78-R84 HydrophobicContact CG1-CG 4.16Å; V78-R84 PolarHBondContact O-NE 3.34Å; V78-R84 PolarHBondContact O-NH2 2.87Å; D79-R84 IonicContact OD1-NH2 2.67Å; D79-R84 PolarHBondContact OD1-NH2 3.49Å; Q80-R84 PolarHBondContact O-N 3.5Å; L81-R84 PolarHBondContact O-N 2.96Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.25Å; R84-Q87 WeakPolarHBondContact O-CB 3.28Å; R84-Q87 PolarHBondContact O-N 2.91Å; R84-F88 PolarHBondContact O-N 2.81Å
85L95.4Very high95.2Very high78 Ų7860 Ų6041%0.40830%0.302SS..Hα-helixtrans-63.2-41176.4-169.365.6000110.7L81 D82 L83 F88 C89 P152L81-L85 WeakPolarHBondContact O-CB 3.25Å; L81-L85 PolarHBondContact O-N 3.26Å; D82-L85 PolarHBondContact O-N 2.86Å; L83-L85 VanDerWaalsContact C-N 3.35Å; L83-L85 PolarHBondContact O-N 3.09Å; L85-F88 PolarHBondContact O-N 3.33Å; L85-C89 VanDerWaalsContact O-CB 3.32Å; L85-C89 WeakPolarHBondContact O-CB 3.48Å; L85-C89 PolarHBondContact O-N 3.24Å; L85-C89 PolarHBondContact O-SG 2.67Å; L85-C89 VanDerWaalsContact O-SG 3.34Å; L85-P152 HydrophobicContact CB-CB 4.5Å; L85-P152 HydrophobicContact CD2-CB 3.75Å; L85-P152 HydrophobicContact CG-CB 3.92Å
86L96.8Very high95.5Very high0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-64.6-39.2175.4-74.3161.6000113.2W33 L54 D82 L83 R84 F88 C89 L90 P152 F156W33-L86 HydrophobicContact CD2-CD1 4.27Å; W33-L86 HydrophobicContact CE3-CD1 3.44Å; W33-L86 VanDerWaalsContact CE3-CD1 3.44Å; W33-L86 HydrophobicContact CE3-CD2 4.42Å; W33-L86 HydrophobicContact CH2-CD1 4.11Å; W33-L86 HydrophobicContact CH2-CD2 3.53Å; W33-L86 HydrophobicContact CH2-CG 4.39Å; W33-L86 HydrophobicContact CZ2-CD2 4.39Å; W33-L86 HydrophobicContact CZ3-CD1 3.34Å; W33-L86 HydrophobicContact CZ3-CD2 3.54Å; W33-L86 HydrophobicContact CZ3-CG 4.06Å; L54-L86 HydrophobicContact CD1-CB 4.39Å; L54-L86 HydrophobicContact CD2-CB 4.27Å; L54-L86 HydrophobicContact CG-CB 4.33Å; D82-L86 WeakPolarHBondContact O-CD1 3.47Å; D82-L86 WeakPolarHBondContact O-CG 3.26Å; D82-L86 PolarHBondContact O-N 3.1Å; L83-L86 WeakPolarHBondContact O-CB 3.37Å; L83-L86 PolarHBondContact O-N 3.37Å; R84-L86 VanDerWaalsContact C-N 3.3Å; R84-L86 PolarHBondContact O-N 3.25Å; L86-F88 PolarHBondContact O-N 3.49Å; L86-C89 PolarHBondContact O-N 2.71Å; L86-L90 HydrophobicContact CB-CD1 4.4Å; L86-L90 HydrophobicContact CD2-CD1 3.8Å; L86-L90 HydrophobicContact CD2-CG 4.16Å; L86-L90 WeakPolarHBondContact O-CB 3.31Å; L86-L90 PolarHBondContact O-N 3.15Å; L86-P152 HydrophobicContact CD2-CB 3.89Å; L86-P152 HydrophobicContact CD2-CG 4.08Å; L86-P152 HydrophobicContact CG-CB 4.16Å; L86-F156 HydrophobicContact CD1-CB 4.29Å; L86-F156 HydrophobicContact CD1-CD2 3.59Å; L86-F156 HydrophobicContact CD1-CE2 4.26Å; L86-F156 HydrophobicContact CD1-CG 4.22Å
87Q96.4Very high95.7Very high31 Ų3151.9 Ų51.915%0.14526%0.262CS..Hα-helixtrans-58.5-27.3174.7-75.7172.1-30.400112.7L54 W55 Y75 L83 R84 P91L54-Q87 HydrophobicContact CB-CG 4.06Å; L54-Q87 HydrophobicContact CG-CG 4.09Å; L54-Q87 PolarHBondContact O-NE2 2.89Å; W55-Q87 HydrophobicContact CH2-CB 4.13Å; W55-Q87 HydrophobicContact CH2-CG 4.33Å; W55-Q87 HydrophobicContact CZ3-CB 4.47Å; W55-Q87 HydrophobicContact CZ3-CG 4.32Å; Y75-Q87 PolarHBondContact O-NE2 3.5Å; L83-Q87 WeakPolarHBondContact O-CG 3.47Å; L83-Q87 PolarHBondContact O-N 2.85Å; R84-Q87 WeakPolarHBondContact O-CB 3.28Å; R84-Q87 PolarHBondContact O-N 2.91Å; Q87-P91 VanDerWaalsContact O-CD 3.27Å; Q87-P91 WeakPolarHBondContact O-CD 3.43Å; Q87-P91 VanDerWaalsContact O-CG 3.25Å; Q87-P91 WeakPolarHBondContact O-CG 3.38Å
88F95.7Very high96Very high139 Ų13948.7 Ų48.761%0.6125%0.253SS*.Hα-helixtrans-92.5-50175.7179-101.2000112.6R84 L85 L86 T92R84-F88 PolarHBondContact O-N 2.81Å; L85-F88 PolarHBondContact O-N 3.33Å; L86-F88 PolarHBondContact O-N 3.49Å; F88-T92 WeakPolarHBondContact O-CB 3.4Å; F88-T92 PolarHBondContact O-N 3.37Å; F88-T92 PolarHBondContact O-OG1 3.48Å
89C97.8Very high96.1Very high14 Ų1452.4 Ų52.410%0.09527%0.272CS..Hα-helixtrans-69.9-40-170.9-71.40000113.3L85 L86 T92 G93 I148 P152L85-C89 VanDerWaalsContact O-CB 3.32Å; L85-C89 WeakPolarHBondContact O-CB 3.48Å; L85-C89 PolarHBondContact O-N 3.24Å; L85-C89 PolarHBondContact O-SG 2.67Å; L85-C89 VanDerWaalsContact O-SG 3.34Å; L86-C89 PolarHBondContact O-N 2.71Å; C89-T92 PolarHBondContact O-N 3.2Å; C89-G93 PolarHBondContact O-N 3.35Å; C89-I148 HydrophobicContact CB-CG2 3.79Å; C89-I148 WeakPolarHBondContact CB-O 3.32Å; C89-I148 WeakPolarHBondContact O-CG2 3.4Å; C89-P152 HydrophobicContact CB-CG 3.63Å
90L97.6Very high96.4Very high0 Ų045.8 Ų45.80%024%0.237CC..Hα-helixtrans-70.3-46.2-177.7-77.2169.2000113.3I24 V28 W33 L54 L86 T92 G93 F94 A149 A180I24-L90 HydrophobicContact CG2-CD2 4.24Å; V28-L90 HydrophobicContact CG2-CB 3.66Å; W33-L90 HydrophobicContact CH2-CD1 3.53Å; W33-L90 HydrophobicContact CZ2-CD1 3.21Å; L54-L90 HydrophobicContact CD2-CD1 3.96Å; L86-L90 HydrophobicContact CB-CD1 4.4Å; L86-L90 HydrophobicContact CD2-CD1 3.8Å; L86-L90 HydrophobicContact CD2-CG 4.16Å; L86-L90 WeakPolarHBondContact O-CB 3.31Å; L86-L90 PolarHBondContact O-N 3.15Å; L90-T92 VanDerWaalsContact C-N 3.3Å; L90-T92 PolarHBondContact O-N 3.06Å; L90-G93 PolarHBondContact O-N 3.42Å; L90-F94 WeakPolarHBondContact O-CB 3.4Å; L90-F94 PolarHBondContact O-N 3.35Å; L90-A149 HydrophobicContact CD2-CB 3.76Å; L90-A180 HydrophobicContact CD2-CB 4.19Å
91P97.9Very high96.6Very high41 Ų4143.6 Ų43.627%0.26623%0.227SC..Hα-helixtrans-61.8-37.7173.2-2738.3000112.8V28 W55 Q87 F94 A95V28-P91 HydrophobicContact CG1-CG 4.46Å; W55-P91 HydrophobicContact CH2-CG 4.38Å; W55-P91 HydrophobicContact CZ2-CG 3.81Å; Q87-P91 VanDerWaalsContact O-CD 3.27Å; Q87-P91 WeakPolarHBondContact O-CD 3.43Å; Q87-P91 VanDerWaalsContact O-CG 3.25Å; Q87-P91 WeakPolarHBondContact O-CG 3.38Å; P91-F94 PolarHBondContact O-N 3.09Å; P91-A95 WeakPolarHBondContact O-CB 3.45Å; P91-A95 PolarHBondContact O-N 3.35Å
92T97.8Very high96.7Very high44 Ų4442.3 Ų42.327%0.2722%0.22SC..Hα-helixtrans-62.9-46.5175.1-57.80000111.1F88 C89 L90 A95 L96 I148F88-T92 WeakPolarHBondContact O-CB 3.4Å; F88-T92 PolarHBondContact O-N 3.37Å; F88-T92 PolarHBondContact O-OG1 3.48Å; C89-T92 PolarHBondContact O-N 3.2Å; L90-T92 VanDerWaalsContact C-N 3.3Å; L90-T92 PolarHBondContact O-N 3.06Å; T92-A95 PolarHBondContact O-N 3.34Å; T92-L96 HydrophobicContact CG2-CD1 4.32Å; T92-L96 WeakPolarHBondContact O-CG 3.37Å; T92-L96 PolarHBondContact O-N 3.42Å; T92-I148 HydrophobicContact CG2-CD1 4.31Å
93G97.9Very high96.5Very high0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-62.2-42.1175.800000112.7C89 L90 L96 A97C89-G93 PolarHBondContact O-N 3.35Å; L90-G93 PolarHBondContact O-N 3.42Å; G93-L96 PolarHBondContact O-N 3.49Å; G93-A97 VanDerWaalsContact O-CB 3.29Å; G93-A97 WeakPolarHBondContact O-CB 3.47Å; G93-A97 PolarHBondContact O-N 3.32Å
94F98.1Very high96.3Very high75 Ų7543.9 Ų43.933%0.32923%0.229SC..Hα-helixtrans-60.1-44.8174.4173.1-106.2000112.3V21 I24 A25 L90 P91 A97 S98V21-F94 HydrophobicContact CG1-CD2 3.93Å; V21-F94 HydrophobicContact CG1-CE2 3.59Å; I24-F94 HydrophobicContact CG2-CB 3.87Å; I24-F94 HydrophobicContact CG2-CD2 4.47Å; A25-F94 HydrophobicContact CB-CD2 4.21Å; A25-F94 HydrophobicContact CB-CE2 3.78Å; A25-F94 HydrophobicContact CB-CZ 4.41Å; L90-F94 WeakPolarHBondContact O-CB 3.4Å; L90-F94 PolarHBondContact O-N 3.35Å; P91-F94 PolarHBondContact O-N 3.09Å; F94-A97 PolarHBondContact O-N 2.95Å; F94-S98 VanDerWaalsContact O-CB 3.28Å; F94-S98 WeakPolarHBondContact O-CB 3.41Å; F94-S98 PolarHBondContact O-N 2.85Å; F94-S98 PolarHBondContact O-OG 2.92Å
95A98.3Very high95.9Very high57 Ų5741.8 Ų41.847%0.47123%0.225SC..Hα-helixtrans-64.3-45.8178.800000111.8P91 T92 S98 L99P91-A95 WeakPolarHBondContact O-CB 3.45Å; P91-A95 PolarHBondContact O-N 3.35Å; T92-A95 PolarHBondContact O-N 3.34Å; A95-S98 PolarHBondContact O-N 3.31Å; A95-L99 WeakPolarHBondContact O-CB 3.19Å; A95-L99 PolarHBondContact O-N 2.92Å
96L98.2Very high95.4Very high33 Ų3341.2 Ų41.217%0.17323%0.228CC..Hα-helixtrans-61.2-45.7176.3-71.5172.6000111.8T92 G93 L99 A100 F141 L144 I148T92-L96 HydrophobicContact CG2-CD1 4.32Å; T92-L96 WeakPolarHBondContact O-CG 3.37Å; T92-L96 PolarHBondContact O-N 3.42Å; G93-L96 PolarHBondContact O-N 3.49Å; L96-L99 PolarHBondContact O-N 2.95Å; L96-A100 WeakPolarHBondContact O-CB 3.49Å; L96-A100 PolarHBondContact O-N 3.17Å; L96-F141 HydrophobicContact CD2-CD1 4.18Å; L96-L144 HydrophobicContact CD1-CB 4.4Å; L96-L144 HydrophobicContact CD1-CD2 3.87Å; L96-L144 HydrophobicContact CD1-CG 3.89Å; L96-I148 HydrophobicContact CD1-CD1 3.8Å
97A98Very high94.5Very high0 Ų041.3 Ų41.30%023%0.228CC..Hα-helixtrans-67.7-36.3179.400000112.3V21 G93 F94 A100 L101 L142 L187V21-A97 HydrophobicContact CG2-CB 3.49Å; V21-A97 VanDerWaalsContact CG2-CB 3.49Å; G93-A97 VanDerWaalsContact O-CB 3.29Å; G93-A97 WeakPolarHBondContact O-CB 3.47Å; G93-A97 PolarHBondContact O-N 3.32Å; F94-A97 PolarHBondContact O-N 2.95Å; A97-A100 WeakPolarHBondContact O-CB 3.36Å; A97-A100 PolarHBondContact O-N 3.28Å; A97-L101 PolarHBondContact O-N 3.36Å; A97-L142 HydrophobicContact CB-CD2 4.4Å; A97-L187 HydrophobicContact CB-CD1 3.64Å; A97-L187 HydrophobicContact CB-CD2 4.03Å
98S97.8Very high93.6Very high33 Ų3341.4 Ų41.423%0.23123%0.229CC..Hα-helixtrans-65.1-43.5174.2-60.60000111.8F94 A95 A100 L101 L102F94-S98 VanDerWaalsContact O-CB 3.28Å; F94-S98 WeakPolarHBondContact O-CB 3.41Å; F94-S98 PolarHBondContact O-N 2.85Å; F94-S98 PolarHBondContact O-OG 2.92Å; A95-S98 PolarHBondContact O-N 3.31Å; S98-A100 VanDerWaalsContact C-N 3.28Å; S98-A100 PolarHBondContact O-N 3.39Å; S98-L101 PolarHBondContact O-N 3.23Å; S98-L102 PolarHBondContact O-N 2.91Å; S98-L102 VanDerWaalsContact O-N 3.17Å
99L96.7Very high92.1Very high77 Ų7737.1 Ų37.140%0.40322%0.216SC..Hα-helixtrans-60.6-40173.1-179.361.9000111.2A95 L96 L101 L102 L103 F141A95-L99 WeakPolarHBondContact O-CB 3.19Å; A95-L99 PolarHBondContact O-N 2.92Å; L96-L99 PolarHBondContact O-N 2.95Å; L99-L101 PolarHBondContact O-N 2.88Å; L99-L102 PolarHBondContact O-N 2.85Å; L99-L103 HydrophobicContact CG-CD1 4.44Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 2.95Å; L99-F141 HydrophobicContact CD2-CD2 3.88Å; L99-F141 HydrophobicContact CD2-CE2 3.46Å; L99-F141 VanDerWaalsContact CD2-CE2 3.46Å; L99-F141 HydrophobicContact CD2-CZ 4.09Å; L99-F141 HydrophobicContact CG-CD2 4.07Å; L99-F141 HydrophobicContact CG-CE2 3.99Å
100A96.6Very high90.3Very high0 Ų041.6 Ų41.60%023%0.234CC..Hα-helixtrans-64.6-37176.700000113.3L96 A97 S98 L103 S104 A138 F141 L142L96-A100 WeakPolarHBondContact O-CB 3.49Å; L96-A100 PolarHBondContact O-N 3.17Å; A97-A100 WeakPolarHBondContact O-CB 3.36Å; A97-A100 PolarHBondContact O-N 3.28Å; S98-A100 VanDerWaalsContact C-N 3.28Å; S98-A100 PolarHBondContact O-N 3.39Å; A100-L103 PolarHBondContact O-N 2.63Å; A100-S104 WeakPolarHBondContact O-CB 3.17Å; A100-S104 PolarHBondContact O-N 2.87Å; A100-S104 PolarHBondContact O-OG 3.19Å; A100-A138 HydrophobicContact CB-CB 4.33Å; A100-A138 WeakPolarHBondContact CB-O 3.46Å; A100-F141 HydrophobicContact CB-CB 3.78Å; A100-L142 HydrophobicContact CB-CD2 3.73Å; A100-L142 HydrophobicContact CB-CG 3.64Å
101L95.4Very high88.1Confident17 Ų1745.5 Ų45.59%0.08926%0.258CS..Hα-helixtrans-63.3-42.5173.7-73177.4000111.4F14 A17 F18 V21 A97 S98 L99 L103 S104 M105F14-L101 HydrophobicContact CD2-CD2 3.83Å; F14-L101 HydrophobicContact CE2-CB 4.34Å; F14-L101 HydrophobicContact CE2-CD2 3.6Å; F14-L101 HydrophobicContact CZ-CD2 4.36Å; A17-L101 HydrophobicContact CB-CD2 3.66Å; F18-L101 HydrophobicContact CB-CD2 4.33Å; F18-L101 HydrophobicContact CD2-CD1 4.28Å; V21-L101 HydrophobicContact CB-CD1 3.82Å; V21-L101 HydrophobicContact CG1-CD1 4.04Å; V21-L101 HydrophobicContact CG2-CD1 3.62Å; V21-L101 HydrophobicContact CG2-CG 4.22Å; A97-L101 PolarHBondContact O-N 3.36Å; S98-L101 PolarHBondContact O-N 3.23Å; L99-L101 PolarHBondContact O-N 2.88Å; L101-L103 PolarHBondContact O-N 3.5Å; L101-S104 PolarHBondContact O-N 3.4Å; L101-M105 WeakPolarHBondContact O-CB 3.16Å; L101-M105 WeakPolarHBondContact O-CG 3.41Å; L101-M105 PolarHBondContact O-N 3.32Å
102L93.4Very high85.6Confident116 Ų11648.5 Ų48.561%0.60728%0.279SS*.Hα-helixtrans-63.1-41.9176.2-66.1175.5000111.9S98 L99 M105 S106S98-L102 PolarHBondContact O-N 2.91Å; S98-L102 VanDerWaalsContact O-N 3.17Å; L99-L102 PolarHBondContact O-N 2.85Å; L102-M105 PolarHBondContact O-N 3.3Å; L102-S106 WeakPolarHBondContact O-CB 3.47Å; L102-S106 PolarHBondContact O-N 3.5Å; L102-S106 PolarHBondContact O-OG 3.45Å
103L91Very high83Confident39 Ų3950.8 Ų50.820%0.20430%0.295CS..Hα-helixtrans-66.2-38.8175.5-70.9176.3000112.2L99 A100 L101 S106 G107 V137 A138 F141L99-L103 HydrophobicContact CG-CD1 4.44Å; L99-L103 WeakPolarHBondContact O-CG 3.49Å; L99-L103 PolarHBondContact O-N 2.95Å; A100-L103 PolarHBondContact O-N 2.63Å; L101-L103 PolarHBondContact O-N 3.5Å; L103-S106 PolarHBondContact O-N 3.17Å; L103-G107 PolarHBondContact O-N 2.94Å; L103-V137 HydrophobicContact CD1-CG1 3.9Å; L103-A138 HydrophobicContact CB-CB 4Å; L103-F141 HydrophobicContact CD1-CD2 3.76Å; L103-F141 HydrophobicContact CD1-CE2 3.71Å
104S90.1Very high80.5Confident6 Ų655.5 Ų55.54%0.04233%0.327CS..Hα-helixtrans-64.8-45175.8-59.90000111.1A100 L101 G107 M108 A138A100-S104 WeakPolarHBondContact O-CB 3.17Å; A100-S104 PolarHBondContact O-N 2.87Å; A100-S104 PolarHBondContact O-OG 3.19Å; L101-S104 PolarHBondContact O-N 3.4Å; S104-G107 PolarHBondContact O-N 2.92Å; S104-M108 WeakPolarHBondContact O-CE 3.42Å; S104-M108 WeakPolarHBondContact O-CG 3.47Å; S104-M108 PolarHBondContact O-N 3.18Å; S104-A138 WeakPolarHBondContact OG-CB 3.3Å
105M87.7Confident77.7Confident78 Ų7856.6 Ų56.638%0.38434%0.344SS..Hα-helixtrans-60.6-45.1173.9-75.7-56.3-65.300111.5F14 L101 L102 G107 M108 C109F14-M105 HydrophobicContact CD2-SD 4.36Å; F14-M105 HydrophobicContact CE1-SD 3.72Å; F14-M105 HydrophobicContact CE2-CG 3.55Å; F14-M105 HydrophobicContact CE2-SD 3.54Å; F14-M105 VanDerWaalsContact CE2-SD 3.54Å; F14-M105 HydrophobicContact CZ-CG 3.6Å; F14-M105 HydrophobicContact CZ-SD 3.17Å; F14-M105 WeakPolarHBondContact CZ-SD 3.44Å; L101-M105 WeakPolarHBondContact O-CB 3.16Å; L101-M105 WeakPolarHBondContact O-CG 3.41Å; L101-M105 PolarHBondContact O-N 3.32Å; L102-M105 PolarHBondContact O-N 3.3Å; M105-G107 VanDerWaalsContact C-N 3.28Å; M105-G107 PolarHBondContact O-N 2.95Å; M105-M108 PolarHBondContact O-N 2.88Å; M105-M108 VanDerWaalsContact O-N 3.17Å; M105-M108 HydrophobicContact SD-CE 3.62Å; M105-C109 WeakPolarHBondContact O-CB 3.48Å; M105-C109 PolarHBondContact O-N 3.22Å; M105-C109 PolarHBondContact O-SG 2.67Å
106S84.5Confident75.4Confident66 Ų6661.9 Ų61.946%0.46236%0.364SS..Hα-helixtrans-61.2-37.4177.4-57.70000112.3L102 L103L102-S106 WeakPolarHBondContact O-CB 3.47Å; L102-S106 PolarHBondContact O-N 3.5Å; L102-S106 PolarHBondContact O-OG 3.45Å; L103-S106 PolarHBondContact O-N 3.17Å
107G77.7Confident72.8Confident1 Ų167.8 Ų67.81%0.0139%0.389CS..Hα-helixtrans-65.6-38.5174.800000113.6L103 S104 M105 S131L103-G107 PolarHBondContact O-N 2.94Å; S104-G107 PolarHBondContact O-N 2.92Å; M105-G107 VanDerWaalsContact C-N 3.28Å; M105-G107 PolarHBondContact O-N 2.95Å; G107-S131 PolarHBondContact O-OG 3.47Å
108M76.6Confident70.3Confident33 Ų3373.9 Ų73.916%0.16343%0.428CS..Hα-helixtrans-82.8-31.7179.5-65.5-176.1-66.100113.8F14 S104 M105 K110 T111 C112F14-M108 HydrophobicContact CB-CE 3.95Å; F14-M108 HydrophobicContact CB-SD 4.4Å; F14-M108 HydrophobicContact CD1-CE 3.95Å; F14-M108 HydrophobicContact CD2-CE 3.53Å; F14-M108 HydrophobicContact CE1-CE 4.38Å; F14-M108 HydrophobicContact CE2-CE 4Å; F14-M108 HydrophobicContact CG-CE 3.5Å; F14-M108 HydrophobicContact CZ-CE 4.41Å; S104-M108 WeakPolarHBondContact O-CE 3.42Å; S104-M108 WeakPolarHBondContact O-CG 3.47Å; S104-M108 PolarHBondContact O-N 3.18Å; M105-M108 PolarHBondContact O-N 2.88Å; M105-M108 VanDerWaalsContact O-N 3.17Å; M105-M108 HydrophobicContact SD-CE 3.62Å; M108-K110 PolarHBondContact O-N 2.97Å; M108-T111 WeakPolarHBondContact CA-OG1 3.29Å; M108-T111 CarbonylContact O-C 3.6Å; M108-T111 WeakPolarHBondContact O-CA 3.43Å; M108-T111 PolarHBondContact O-N 3.17Å; M108-T111 PolarHBondContact O-OG1 2.81Å; M108-C112 PolarHBondContact O-N 3.09Å; M108-C112 PolarHBondContact O-SG 2.94Å
109C65.3Low67.6Low50 Ų5080.4 Ų80.434%0.33846%0.455SS..Hα-helixtrans-63.4-30.3178-74.50000111.8M105 T111 C113M105-C109 WeakPolarHBondContact O-CB 3.48Å; M105-C109 PolarHBondContact O-N 3.22Å; M105-C109 PolarHBondContact O-SG 2.67Å; C109-T111 PolarHBondContact O-N 3.49Å; C109-C113 WeakPolarHBondContact O-CB 3.15Å; C109-C113 PolarHBondContact O-N 3.4Å
110K58.9Low65.6Low108 Ų10882.2 Ų82.247%0.4747%0.472SS..Hα-helixtrans-68.9-18.5169.6-88-148.7-178.7168.20114.3M108 F127 I129M108-K110 PolarHBondContact O-N 2.97Å; K110-F127 PolarHBondContact NZ-O 3.4Å; K110-I129 PolarHBondContact NZ-O 3.47Å
111T51.4Low63.1Low81 Ų8188 Ų8850%0.49750%0.503SS..Hα-helixtrans-98-18.1177.354.50000113.4M108 C109M108-T111 WeakPolarHBondContact CA-OG1 3.29Å; M108-T111 CarbonylContact O-C 3.6Å; M108-T111 WeakPolarHBondContact O-CA 3.43Å; M108-T111 PolarHBondContact O-N 3.17Å; M108-T111 PolarHBondContact O-OG1 2.81Å; C109-T111 PolarHBondContact O-N 3.49Å
112C45.3Very low60.8Low105 Ų10594.4 Ų94.471%0.70954%0.535SS*.Hα-helixtrans-123.7-24.3-171.7-54.50000115.2M108M108-C112 PolarHBondContact O-N 3.09Å; M108-C112 PolarHBondContact O-SG 2.94Å
113C43.8Very low58.5Low91 Ų9197.3 Ų97.362%0.61554%0.543SS*.  trans-109.58.4-170.9-58.80000114.4C109 S115C109-C113 WeakPolarHBondContact O-CB 3.15Å; C109-C113 PolarHBondContact O-N 3.4Å; C113-S115 VanDerWaalsContact C-N 3.34Å; C113-S115 PolarHBondContact O-N 3.22Å; C113-S115 VanDerWaalsContact O-N 3.09Å
114C46.1Very low56.4Low100 Ų100102 Ų10268%0.67657%0.573SS**  trans-81.987.7169.2-660000108.7
115S40Very low54.2Low97 Ų97105.6 Ų105.668%0.67860%0.595SS**  trans-48.8139.5170.1-175.10000111.5C113 K117C113-S115 VanDerWaalsContact C-N 3.34Å; C113-S115 PolarHBondContact O-N 3.22Å; C113-S115 VanDerWaalsContact O-N 3.09Å; S115-K117 PolarHBondContact O-N 2.79Å
116D48.3Very low52.4Low168 Ų168113.2 Ų113.290%0.89862%0.62SS**SBendtrans-63.218.9178.1-73.7-47.3000115
117K44Very low50.6Low157 Ų157115.9 Ų115.968%0.68362%0.623SS**  trans-120.2115.2177.3-70.3-174.1-178.9177.10110.5S115 E119S115-K117 PolarHBondContact O-N 2.79Å; K117-E119 VanDerWaalsContact C-N 3.3Å; K117-E119 PolarHBondContact O-N 3.17Å
118P44.9Very low49.4Very low128 Ų128123.7 Ų123.783%0.83166%0.664SS**  trans-75.487.3169.731.2-29.7000108.1P120P118-P120 WeakPolarHBondContact O-CD 3.35Å
119E42.8Very low48.6Very low170 Ų170125.8 Ų125.879%0.79468%0.675SS**  trans-79116.5162.2-81.2172.4176.200108.2K117 D121K117-E119 VanDerWaalsContact C-N 3.3Å; K117-E119 PolarHBondContact O-N 3.17Å; E119-D121 PolarHBondContact O-N 3.35Å
120P54.3Low49Very low116 Ų116127.9 Ų127.975%0.75368%0.683SS**  trans-95.574-169.737.4-31.2000110.1P118P118-P120 WeakPolarHBondContact O-CD 3.35Å
121D43Very low49.8Very low122 Ų122124.1 Ų124.165%0.65267%0.67SS**  trans-170.659.8156.4-108.7-15.3000115.8E119E119-D121 PolarHBondContact O-N 3.35Å
122I48.2Very low51.1Low150 Ų150121 Ų12177%0.76965%0.652SS**  trans-118.667.2149.7-57.2175.7000107.8T124I122-T124 PolarHBondContact O-N 3.46Å
123K45Very low53Low178 Ų178117 Ų11777%0.77463%0.63SS**THydrogen-bonded Turntrans-7373.4166.1-72.2176.9-177.7163.30109.9
124T46.3Very low55Low137 Ų137113 Ų11384%0.8460%0.603SS**THydrogen-bonded Turntrans164.353.6149.132.10000112.7I122I122-T124 PolarHBondContact O-N 3.46Å
125T45.1Very low56.9Low82 Ų82108.7 Ų108.750%0.50357%0.572SS.*  trans-141.871.4144.7-21.50000108.3F127T125-F127 HydrophobicContact CG2-CD1 4.41Å; T125-F127 HydrophobicContact CG2-CD2 3.56Å; T125-F127 HydrophobicContact CG2-CE1 4.21Å; T125-F127 HydrophobicContact CG2-CE2 3.31Å; T125-F127 HydrophobicContact CG2-CG 4.13Å; T125-F127 HydrophobicContact CG2-CZ 3.67Å; T125-F127 PolarHBondContact O-N 2.85Å
126R48.1Very low59.4Low237 Ų237106.8 Ų106.889%0.89455%0.554SS**  trans-61.782.9154.2-78.9-164.2-118.4-178.3-0.6105.9L128R126-L128 PolarHBondContact O-N 2.9Å
127F47.9Very low61.5Low123 Ų123101.9 Ų101.954%0.53953%0.53SS..  trans-60.492.7159.4-79.3-76.7000105K110 T125 I129K110-F127 PolarHBondContact NZ-O 3.4Å; T125-F127 HydrophobicContact CG2-CD1 4.41Å; T125-F127 HydrophobicContact CG2-CD2 3.56Å; T125-F127 HydrophobicContact CG2-CE1 4.21Å; T125-F127 HydrophobicContact CG2-CE2 3.31Å; T125-F127 HydrophobicContact CG2-CG 4.13Å; T125-F127 HydrophobicContact CG2-CZ 3.67Å; T125-F127 PolarHBondContact O-N 2.85Å; F127-I129 HydrophobicContact CB-CG1 4.39Å; F127-I129 HydrophobicContact CD1-CD1 3.66Å; F127-I129 HydrophobicContact CD1-CG1 4.28Å; F127-I129 HydrophobicContact CE1-CD1 4.38Å; F127-I129 PolarHBondContact O-N 2.78Å
128L53.1Low63.9Low165 Ų16594.4 Ų94.486%0.86450%0.498SS*.  trans-61.718.6168.5-96.9137.1000112R126 N130R126-L128 PolarHBondContact O-N 2.9Å; L128-N130 PolarHBondContact O-N 3.17Å
129I58.6Low66.4Low77 Ų7788.3 Ų88.340%0.39546%0.458SS..  trans-89111.4-175.3-58.2-177.8000107.2K110 F127 S131 C134K110-I129 PolarHBondContact NZ-O 3.47Å; F127-I129 HydrophobicContact CB-CG1 4.39Å; F127-I129 HydrophobicContact CD1-CD1 3.66Å; F127-I129 HydrophobicContact CD1-CG1 4.28Å; F127-I129 HydrophobicContact CE1-CD1 4.38Å; F127-I129 PolarHBondContact O-N 2.78Å; I129-S131 PolarHBondContact O-N 3.5Å; I129-C134 HydrophobicContact CG2-CB 4.18Å; I129-C134 WeakPolarHBondContact CG2-SG 3.4Å
130N73.4Confident69Low93 Ų9383.2 Ų83.250%0.49744%0.439SS..  trans-63.6118.2166.7175.24.4000108.4L128 A132 G133 C134L128-N130 PolarHBondContact O-N 3.17Å; N130-A132 PolarHBondContact O-N 3.24Å; N130-A132 PolarHBondContact OD1-N 3.48Å; N130-A132 VanDerWaalsContact OD1-N 3.1Å; N130-G133 WeakPolarHBondContact O-CA 3.4Å; N130-G133 PolarHBondContact O-N 3.28Å; N130-C134 PolarHBondContact O-N 2.75Å
131S76.6Confident71.1Confident29 Ų2980.3 Ų80.320%0.20341%0.414CS..Hα-helixtrans-52.6-40.5179.3169.80000111.8G107 I129 G133 C134 H135G107-S131 PolarHBondContact O-OG 3.47Å; I129-S131 PolarHBondContact O-N 3.5Å; S131-G133 PolarHBondContact O-N 3.29Å; S131-C134 VanDerWaalsContact O-CB 3.24Å; S131-C134 WeakPolarHBondContact O-CB 3.48Å; S131-C134 PolarHBondContact O-N 3.37Å; S131-H135 PolarHBondContact O-CD2 2.94Å; S131-H135 PolarHBondContact O-N 2.87Å
132A79.3Confident73.7Confident15 Ų1574.6 Ų74.612%0.12438%0.384CS..Hα-helixtrans-67.6-34.2176.200000113.1N130 H135 L136 W197 Y198N130-A132 PolarHBondContact O-N 3.24Å; N130-A132 PolarHBondContact OD1-N 3.48Å; N130-A132 VanDerWaalsContact OD1-N 3.1Å; A132-H135 PolarHBondContact O-N 3.26Å; A132-L136 PolarHBondContact O-N 3.39Å; A132-L136 VanDerWaalsContact O-N 3.08Å; A132-W197 HydrophobicContact CB-CH2 4.24Å; A132-W197 HydrophobicContact CB-CZ3 4.19Å; A132-Y198 HydrophobicContact CB-CD2 4.33Å; A132-Y198 HydrophobicContact CB-CE2 4.2Å
133G83.5Confident76.1Confident23 Ų2371.5 Ų71.524%0.23737%0.365CS..Hα-helixtrans-66.7-38.6173.800000112.1N130 S131 L136 V137N130-G133 WeakPolarHBondContact O-CA 3.4Å; N130-G133 PolarHBondContact O-N 3.28Å; S131-G133 PolarHBondContact O-N 3.29Å; G133-L136 PolarHBondContact O-N 2.98Å; G133-V137 WeakPolarHBondContact O-CG2 3.39Å; G133-V137 PolarHBondContact O-N 3.41Å
134C85.4Confident78.6Confident7 Ų766.9 Ų66.95%0.04735%0.348CS..Hα-helixtrans-56.6-50173.2-112.50000112.2I129 N130 S131 V137 A138I129-C134 HydrophobicContact CG2-CB 4.18Å; I129-C134 WeakPolarHBondContact CG2-SG 3.4Å; N130-C134 PolarHBondContact O-N 2.75Å; S131-C134 VanDerWaalsContact O-CB 3.24Å; S131-C134 WeakPolarHBondContact O-CB 3.48Å; S131-C134 PolarHBondContact O-N 3.37Å; C134-V137 PolarHBondContact O-N 2.84Å; C134-A138 VanDerWaalsContact O-CB 3.27Å; C134-A138 WeakPolarHBondContact O-CB 3.28Å; C134-A138 PolarHBondContact O-N 3.45Å
135H88Confident81.1Confident8 Ų860.3 Ų60.34%0.03731%0.308CS..Hα-helixtrans-66-38.2179.2-74.3-64.1000112.3S131 A132 A138 G139 T194 W197S131-H135 PolarHBondContact O-CD2 2.94Å; S131-H135 PolarHBondContact O-N 2.87Å; A132-H135 PolarHBondContact O-N 3.26Å; H135-A138 PolarHBondContact O-N 3.46Å; H135-G139 PolarHBondContact O-N 3.29Å; H135-T194 HydrophobicContact CB-CG2 3.89Å; H135-T194 WeakPolarHBondContact O-CG2 3.36Å; H135-W197 HydrophobicContact CB-CE3 4.14Å; H135-W197 HydrophobicContact CB-CZ3 3.8Å; H135-W197 AromaticContact CD2-CH2 3.98Å; H135-W197 AromaticContact CD2-CZ3 3.97Å
136L90.6Very high83.6Confident58 Ų5856.4 Ų56.430%0.30428%0.284SS..Hα-helixtrans-60.7-49.5175.4-175.669.3000111.7A132 G133 G139 T140 F195 Y198A132-L136 PolarHBondContact O-N 3.39Å; A132-L136 VanDerWaalsContact O-N 3.08Å; G133-L136 PolarHBondContact O-N 2.98Å; L136-G139 PolarHBondContact O-N 2.86Å; L136-T140 PolarHBondContact O-N 3.48Å; L136-T140 VanDerWaalsContact O-N 3.1Å; L136-F195 HydrophobicContact CD1-CD1 4.14Å; L136-F195 HydrophobicContact CD1-CE1 4.34Å; L136-Y198 HydrophobicContact CB-CD2 4.06Å; L136-Y198 HydrophobicContact CB-CE2 4.13Å; L136-Y198 HydrophobicContact CD1-CD1 3.91Å; L136-Y198 HydrophobicContact CD1-CD2 4.32Å; L136-Y198 HydrophobicContact CD1-CE1 4.14Å; L136-Y198 HydrophobicContact CD1-CG 4Å; L136-Y198 HydrophobicContact CD2-CE1 4.27Å; L136-Y198 HydrophobicContact CD2-CE2 4.2Å
137V93.7Very high86Confident64 Ų6446.7 Ų46.739%0.38825%0.254SS..Hα-helixtrans-67.5-36.7178.8177.90000111.4L103 G133 C134 G139 T140 F141L103-V137 HydrophobicContact CD1-CG1 3.9Å; G133-V137 WeakPolarHBondContact O-CG2 3.39Å; G133-V137 PolarHBondContact O-N 3.41Å; C134-V137 PolarHBondContact O-N 2.84Å; V137-G139 VanDerWaalsContact C-N 3.35Å; V137-T140 PolarHBondContact O-N 3.06Å; V137-T140 PolarHBondContact O-OG1 2.88Å; V137-F141 HydrophobicContact CG1-CD2 4.21Å; V137-F141 HydrophobicContact CG1-CE2 3.8Å; V137-F141 HydrophobicContact CG1-CZ 4.11Å; V137-F141 PolarHBondContact O-N 3.31Å; V137-F141 VanDerWaalsContact O-N 3.13Å
138A94.6Very high88.4Confident0 Ų042.9 Ų42.90%024%0.239CC..Hα-helixtrans-61.4-44.7172.700000111.2A100 L103 S104 C134 H135 T140 F141 L142A100-A138 HydrophobicContact CB-CB 4.33Å; A100-A138 WeakPolarHBondContact CB-O 3.46Å; L103-A138 HydrophobicContact CB-CB 4Å; S104-A138 WeakPolarHBondContact OG-CB 3.3Å; C134-A138 VanDerWaalsContact O-CB 3.27Å; C134-A138 WeakPolarHBondContact O-CB 3.28Å; C134-A138 PolarHBondContact O-N 3.45Å; H135-A138 PolarHBondContact O-N 3.46Å; A138-T140 VanDerWaalsContact C-N 3.33Å; A138-T140 PolarHBondContact O-N 3.48Å; A138-F141 PolarHBondContact O-N 3.21Å; A138-L142 WeakPolarHBondContact O-CG 3.27Å; A138-L142 PolarHBondContact O-N 3.34Å
139G96.1Very high90.5Very high0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-58.2-41.4175.900000112.7H135 L136 V137 L142 F143 A191 F195H135-G139 PolarHBondContact O-N 3.29Å; L136-G139 PolarHBondContact O-N 2.86Å; V137-G139 VanDerWaalsContact C-N 3.35Å; G139-L142 PolarHBondContact O-N 3.24Å; G139-F143 WeakPolarHBondContact O-CB 3.4Å; G139-F143 PolarHBondContact O-N 3.42Å; G139-A191 WeakPolarHBondContact O-CB 3.08Å; G139-F195 VanDerWaalsContact C-CE1 3.5Å; G139-F195 WeakPolarHBondContact O-CZ 3.29Å
140T97.5Very high92.3Very high64 Ų6433.5 Ų33.539%0.39319%0.19SC..Hα-helixtrans-66.4-40.2177.6590000112.3L136 V137 A138 F143 L144 F195L136-T140 PolarHBondContact O-N 3.48Å; L136-T140 VanDerWaalsContact O-N 3.1Å; V137-T140 PolarHBondContact O-N 3.06Å; V137-T140 PolarHBondContact O-OG1 2.88Å; A138-T140 VanDerWaalsContact C-N 3.33Å; A138-T140 PolarHBondContact O-N 3.48Å; T140-F143 PolarHBondContact O-N 3.46Å; T140-L144 VanDerWaalsContact O-CB 3.3Å; T140-L144 WeakPolarHBondContact O-CB 3.34Å; T140-L144 PolarHBondContact O-N 3.43Å; T140-F195 HydrophobicContact CG2-CE1 3.98Å; T140-F195 HydrophobicContact CG2-CZ 4Å
141F98.3Very high93.4Very high55 Ų5532 Ų3224%0.24119%0.191CC..Hα-helixtrans-68.1-37.5174.3-70.4-23.6000113.2L96 L99 A100 L103 V137 A138 G145L96-F141 HydrophobicContact CD2-CD1 4.18Å; L99-F141 HydrophobicContact CD2-CD2 3.88Å; L99-F141 HydrophobicContact CD2-CE2 3.46Å; L99-F141 VanDerWaalsContact CD2-CE2 3.46Å; L99-F141 HydrophobicContact CD2-CZ 4.09Å; L99-F141 HydrophobicContact CG-CD2 4.07Å; L99-F141 HydrophobicContact CG-CE2 3.99Å; A100-F141 HydrophobicContact CB-CB 3.78Å; L103-F141 HydrophobicContact CD1-CD2 3.76Å; L103-F141 HydrophobicContact CD1-CE2 3.71Å; V137-F141 HydrophobicContact CG1-CD2 4.21Å; V137-F141 HydrophobicContact CG1-CE2 3.8Å; V137-F141 HydrophobicContact CG1-CZ 4.11Å; V137-F141 PolarHBondContact O-N 3.31Å; V137-F141 VanDerWaalsContact O-N 3.13Å; A138-F141 PolarHBondContact O-N 3.21Å; F141-G145 PolarHBondContact O-N 2.96Å
142L98.4Very high94.4Very high2 Ų231 Ų311%0.0118%0.183CC..Hα-helixtrans-62.2-45.9172.7-71.5173.6000111.3A17 A97 A100 A138 G139 G145 G146 L187 A190 A191A17-L142 HydrophobicContact CB-CD1 4.09Å; A17-L142 HydrophobicContact CB-CD2 3.74Å; A97-L142 HydrophobicContact CB-CD2 4.4Å; A100-L142 HydrophobicContact CB-CD2 3.73Å; A100-L142 HydrophobicContact CB-CG 3.64Å; A138-L142 WeakPolarHBondContact O-CG 3.27Å; A138-L142 PolarHBondContact O-N 3.34Å; G139-L142 PolarHBondContact O-N 3.24Å; L142-G145 PolarHBondContact O-N 3.17Å; L142-G146 PolarHBondContact O-N 3.41Å; L142-L187 HydrophobicContact CD2-CD2 3.83Å; L142-A190 HydrophobicContact CD1-CB 4.16Å; L142-A191 HydrophobicContact CB-CB 3.87Å
143F98.5Very high95.2Very high85 Ų8530.3 Ų30.337%0.37318%0.178SC..Hα-helixtrans-62.5-48.7178.6-174.5-93.2000111.3G139 T140 G146 A147 M188 A191 F195G139-F143 WeakPolarHBondContact O-CB 3.4Å; G139-F143 PolarHBondContact O-N 3.42Å; T140-F143 PolarHBondContact O-N 3.46Å; F143-G146 PolarHBondContact O-N 3.06Å; F143-A147 VanDerWaalsContact O-CB 3.27Å; F143-A147 WeakPolarHBondContact O-CB 3.45Å; F143-A147 PolarHBondContact O-N 3.31Å; F143-M188 HydrophobicContact CD2-CE 4.43Å; F143-M188 HydrophobicContact CD2-CG 4.44Å; F143-M188 HydrophobicContact CE2-CE 3.79Å; F143-M188 HydrophobicContact CZ-CE 4.14Å; F143-A191 HydrophobicContact CB-CB 3.71Å; F143-A191 HydrophobicContact CD2-CB 4.44Å; F143-F195 HydrophobicContact CB-CE2 4.34Å; F143-F195 HydrophobicContact CB-CZ 4.45Å
144L98.3Very high95.9Very high80 Ų8031.6 Ų31.642%0.41918%0.181SC..Hα-helixtrans-64.9-42.3179.6-174.763.7000111.5L96 T140 G146 A147 I148L96-L144 HydrophobicContact CD1-CB 4.4Å; L96-L144 HydrophobicContact CD1-CD2 3.87Å; L96-L144 HydrophobicContact CD1-CG 3.89Å; T140-L144 VanDerWaalsContact O-CB 3.3Å; T140-L144 WeakPolarHBondContact O-CB 3.34Å; T140-L144 PolarHBondContact O-N 3.43Å; L144-G146 PolarHBondContact O-N 3.28Å; L144-A147 PolarHBondContact O-N 3.47Å; L144-I148 HydrophobicContact CD1-CD1 3.87Å; L144-I148 HydrophobicContact CD1-CG1 4.09Å; L144-I148 HydrophobicContact CD2-CD1 4.37Å; L144-I148 HydrophobicContact CG-CD1 3.72Å; L144-I148 HydrophobicContact CG-CG1 4.33Å; L144-I148 WeakPolarHBondContact O-CB 3.5Å; L144-I148 VanDerWaalsContact O-CG1 3.27Å; L144-I148 WeakPolarHBondContact O-CG1 3.47Å; L144-I148 PolarHBondContact O-N 2.98Å
145G97.9Very high96.5Very high0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-60.8-44177.300000112.3F141 L142 A149F141-G145 PolarHBondContact O-N 2.96Å; L142-G145 PolarHBondContact O-N 3.17Å; G145-A149 WeakPolarHBondContact O-CB 3.43Å; G145-A149 PolarHBondContact O-N 3.04Å
146G98.2Very high96.9Very high0 Ų037.7 Ų37.70%020%0.202CC..Hα-helixtrans-66-44.2173.100000113L142 F143 L144 I148 A149 I150 S184L142-G146 PolarHBondContact O-N 3.41Å; F143-G146 PolarHBondContact O-N 3.06Å; L144-G146 PolarHBondContact O-N 3.28Å; G146-I148 PolarHBondContact O-N 2.95Å; G146-A149 PolarHBondContact O-N 3.33Å; G146-I150 WeakPolarHBondContact O-CB 3.39Å; G146-I150 WeakPolarHBondContact O-CG2 3.35Å; G146-I150 PolarHBondContact O-N 2.74Å; G146-S184 WeakPolarHBondContact O-CB 3.38Å
147A98Very high97.2Very high32 Ų3237.1 Ų37.126%0.26420%0.2SC..Hα-helixtrans-64.3-41.6-178.800000112.9F143 L144 A149F143-A147 VanDerWaalsContact O-CB 3.27Å; F143-A147 WeakPolarHBondContact O-CB 3.45Å; F143-A147 PolarHBondContact O-N 3.31Å; L144-A147 PolarHBondContact O-N 3.47Å; A147-A149 VanDerWaalsContact C-N 3.31Å; A147-A149 PolarHBondContact O-N 2.9Å
148I97.7Very high97.3Very high44 Ų4440.4 Ų40.423%0.22621%0.209CC..Hα-helixtrans-65-37.6177-70.1171000110.8C89 T92 L96 L144 G146 P152C89-I148 HydrophobicContact CB-CG2 3.79Å; C89-I148 WeakPolarHBondContact CB-O 3.32Å; C89-I148 WeakPolarHBondContact O-CG2 3.4Å; T92-I148 HydrophobicContact CG2-CD1 4.31Å; L96-I148 HydrophobicContact CD1-CD1 3.8Å; L144-I148 HydrophobicContact CD1-CD1 3.87Å; L144-I148 HydrophobicContact CD1-CG1 4.09Å; L144-I148 HydrophobicContact CD2-CD1 4.37Å; L144-I148 HydrophobicContact CG-CD1 3.72Å; L144-I148 HydrophobicContact CG-CG1 4.33Å; L144-I148 WeakPolarHBondContact O-CB 3.5Å; L144-I148 VanDerWaalsContact O-CG1 3.27Å; L144-I148 WeakPolarHBondContact O-CG1 3.47Å; L144-I148 PolarHBondContact O-N 2.98Å; G146-I148 PolarHBondContact O-N 2.95Å; I148-P152 WeakPolarHBondContact O-CD 3Å; I148-P152 WeakPolarHBondContact O-CG 3.42Å
149A97.4Very high97.3Very high0 Ų045.1 Ų45.10%023%0.227CC..Hα-helixtrans-79.7-36.1-178.600000113.4L90 G145 G146 A147 P152 S153 S184L90-A149 HydrophobicContact CD2-CB 3.76Å; G145-A149 WeakPolarHBondContact O-CB 3.43Å; G145-A149 PolarHBondContact O-N 3.04Å; G146-A149 PolarHBondContact O-N 3.33Å; A147-A149 VanDerWaalsContact C-N 3.31Å; A147-A149 PolarHBondContact O-N 2.9Å; A149-P152 WeakPolarHBondContact O-CD 3.4Å; A149-P152 WeakPolarHBondContact O-CG 3.49Å; A149-S153 WeakPolarHBondContact O-CB 3.43Å; A149-S153 PolarHBondContact O-N 3.36Å; A149-S153 PolarHBondContact O-OG 3.32Å; A149-S184 WeakPolarHBondContact CB-OG 3.27Å
150I97.7Very high97.3Very high45 Ų4545.2 Ų45.223%0.23123%0.227CC..Hα-helixtrans-71.2-40.4-173.8-159.4168.3000112.6G146 S153 V154 M188G146-I150 WeakPolarHBondContact O-CB 3.39Å; G146-I150 WeakPolarHBondContact O-CG2 3.35Å; G146-I150 PolarHBondContact O-N 2.74Å; I150-S153 PolarHBondContact O-N 3.23Å; I150-V154 HydrophobicContact CG1-CG2 3.94Å; I150-V154 WeakPolarHBondContact O-CB 3.33Å; I150-V154 WeakPolarHBondContact O-CG2 3.45Å; I150-V154 PolarHBondContact O-N 3.43Å; I150-M188 HydrophobicContact CD1-SD 4.37Å; I150-M188 HydrophobicContact CG2-SD 4.24Å
151A96.3Very high97.2Very high62 Ų6249.6 Ų49.651%0.51224%0.241SC..Hα-helixtrans-58.1-54-176.900000113.4S153 W155A151-S153 VanDerWaalsContact C-N 3.33Å; A151-S153 PolarHBondContact O-N 3.27Å; A151-W155 WeakPolarHBondContact O-CB 3.4Å; A151-W155 PolarHBondContact O-N 3.37Å
152P96.9Very high97Very high7 Ų752 Ų525%0.04525%0.253CS..Hα-helixtrans-68.6-31.2176.928.1-36.1000112.8L85 L86 C89 I148 A149 W155 F156L85-P152 HydrophobicContact CB-CB 4.5Å; L85-P152 HydrophobicContact CD2-CB 3.75Å; L85-P152 HydrophobicContact CG-CB 3.92Å; L86-P152 HydrophobicContact CD2-CB 3.89Å; L86-P152 HydrophobicContact CD2-CG 4.08Å; L86-P152 HydrophobicContact CG-CB 4.16Å; C89-P152 HydrophobicContact CB-CG 3.63Å; I148-P152 WeakPolarHBondContact O-CD 3Å; I148-P152 WeakPolarHBondContact O-CG 3.42Å; A149-P152 WeakPolarHBondContact O-CD 3.4Å; A149-P152 WeakPolarHBondContact O-CG 3.49Å; P152-W155 PolarHBondContact O-N 3.42Å; P152-F156 WeakPolarHBondContact O-CB 3.45Å; P152-F156 PolarHBondContact O-N 3.15Å
153S97.4Very high96.7Very high0 Ų052.8 Ų52.80%026%0.256CS..Hα-helixtrans-67.8-40.8178.7-570000112A149 I150 A151 F156A149-S153 WeakPolarHBondContact O-CB 3.43Å; A149-S153 PolarHBondContact O-N 3.36Å; A149-S153 PolarHBondContact O-OG 3.32Å; I150-S153 PolarHBondContact O-N 3.23Å; A151-S153 VanDerWaalsContact C-N 3.33Å; A151-S153 PolarHBondContact O-N 3.27Å; S153-F156 WeakPolarHBondContact O-CB 3.32Å
154V97.6Very high96.5Very high50 Ų5050.1 Ų50.130%0.30325%0.246SC..Hα-helixtrans-71.8-41.6174.9170.80000110.8I150 F156 L157 F158 I181I150-V154 HydrophobicContact CG1-CG2 3.94Å; I150-V154 WeakPolarHBondContact O-CB 3.33Å; I150-V154 WeakPolarHBondContact O-CG2 3.45Å; I150-V154 PolarHBondContact O-N 3.43Å; V154-F156 PolarHBondContact O-N 3.35Å; V154-L157 WeakPolarHBondContact O-CB 3.36Å; V154-L157 PolarHBondContact O-N 2.86Å; V154-F158 HydrophobicContact CG1-CD2 4.24Å; V154-F158 HydrophobicContact CG1-CE2 3.64Å; V154-F158 VanDerWaalsContact O-CD2 3.31Å; V154-F158 WeakPolarHBondContact O-CD2 3.44Å; V154-I181 HydrophobicContact CG2-CD1 4.09Å; V154-I181 HydrophobicContact CG2-CG1 4.1Å; V154-I181 HydrophobicContact CG2-CG2 4.37Å
155W97.2Very high96.4Very high143 Ų14351.5 Ų51.554%0.54226%0.263SS..Hα-helixtrans-56.9-38.4174.8178.3-100.3000112.4A151 P152 L157 F158 R159A151-W155 WeakPolarHBondContact O-CB 3.4Å; A151-W155 PolarHBondContact O-N 3.37Å; P152-W155 PolarHBondContact O-N 3.42Å; W155-L157 VanDerWaalsContact C-N 3.3Å; W155-L157 PolarHBondContact O-N 3.26Å; W155-F158 PolarHBondContact O-N 2.88Å; W155-R159 PolarHBondContact O-N 3.42Å
156F97.1Very high96.2Very high0 Ų058.9 Ų58.90%030%0.295CS..Hα-helixtrans-55.1-42.2177.4-176.2-84000112.8W33 R34 D82 L83 L86 P152 S153 V154 F158 R159 T160 V177W33-F156 HydrophobicContact CB-CE2 4.46Å; W33-F156 HydrophobicContact CB-CZ 4.17Å; W33-F156 HydrophobicContact CE3-CD1 4.46Å; W33-F156 HydrophobicContact CE3-CD2 4.19Å; W33-F156 HydrophobicContact CE3-CE2 4.19Å; W33-F156 HydrophobicContact CE3-CG 4.3Å; W33-F156 HydrophobicContact CE3-CZ 4.35Å; W33-F156 VanDerWaalsContact O-CE1 3.24Å; W33-F156 WeakPolarHBondContact O-CE1 3.42Å; W33-F156 VanDerWaalsContact O-CZ 3.27Å; W33-F156 WeakPolarHBondContact O-CZ 3.43Å; R34-F156 HydrophobicContact CB-CZ 3.95Å; D82-F156 HydrophobicContact CB-CD2 4.34Å; L83-F156 HydrophobicContact CD1-CD2 4.38Å; L83-F156 HydrophobicContact CD1-CE2 3.64Å; L83-F156 HydrophobicContact CG-CE2 4.46Å; L86-F156 HydrophobicContact CD1-CB 4.29Å; L86-F156 HydrophobicContact CD1-CD2 3.59Å; L86-F156 HydrophobicContact CD1-CE2 4.26Å; L86-F156 HydrophobicContact CD1-CG 4.22Å; P152-F156 WeakPolarHBondContact O-CB 3.45Å; P152-F156 PolarHBondContact O-N 3.15Å; S153-F156 WeakPolarHBondContact O-CB 3.32Å; V154-F156 PolarHBondContact O-N 3.35Å; F156-F158 PolarHBondContact O-N 2.76Å; F156-R159 WeakPolarHBondContact O-CB 3.31Å; F156-R159 PolarHBondContact O-N 3.4Å; F156-T160 PolarHBondContact O-N 2.93Å; F156-T160 PolarHBondContact O-OG1 2.87Å; F156-V177 HydrophobicContact CD1-CG1 4.11Å; F156-V177 HydrophobicContact CD1-CG2 3.68Å; F156-V177 HydrophobicContact CE1-CG2 3.55Å; F156-V177 HydrophobicContact CZ-CG2 4.39Å
157L96.6Very high95.8Very high47 Ų4766 Ų6625%0.24632%0.323CS..Hα-helixtrans-59.9-47177.3-65.3176.3000111.9V154 W155 R159 T160 K161 D173 V177 I181V154-L157 WeakPolarHBondContact O-CB 3.36Å; V154-L157 PolarHBondContact O-N 2.86Å; W155-L157 VanDerWaalsContact C-N 3.3Å; W155-L157 PolarHBondContact O-N 3.26Å; L157-R159 VanDerWaalsContact C-N 3.27Å; L157-R159 PolarHBondContact O-N 3.48Å; L157-T160 PolarHBondContact O-N 3.47Å; L157-K161 PolarHBondContact O-N 3.18Å; L157-D173 HydrophobicContact CD2-CB 3.9Å; L157-D173 WeakPolarHBondContact CD2-OD2 3.27Å; L157-V177 HydrophobicContact CD2-CG1 3.58Å; L157-V177 HydrophobicContact CG-CG1 3.97Å; L157-I181 HydrophobicContact CD1-CD1 3.56Å; L157-I181 HydrophobicContact CG-CD1 4.15Å
158F96.1Very high95.2Very high132 Ų13266.8 Ų66.858%0.57933%0.329SS*.Hα-helixtrans-63.8-37.9177.5-65.3-65.3000111.3V154 W155 F156 K161 Q162V154-F158 HydrophobicContact CG1-CD2 4.24Å; V154-F158 HydrophobicContact CG1-CE2 3.64Å; V154-F158 VanDerWaalsContact O-CD2 3.31Å; V154-F158 WeakPolarHBondContact O-CD2 3.44Å; W155-F158 PolarHBondContact O-N 2.88Å; F156-F158 PolarHBondContact O-N 2.76Å; F158-K161 PolarHBondContact O-N 2.98Å; F158-Q162 WeakPolarHBondContact O-CB 3.34Å; F158-Q162 PolarHBondContact O-N 3.03Å
159R95.4Very high94.8Very high100 Ų10071.7 Ų71.738%0.37736%0.356SS..Hα-helixtrans-66.4-42.3177.6-172.455.9177.5-171.8-2.1112.1D82 W155 F156 L157 K161 Q162 M163D82-R159 HydrophobicContact CB-CG 4.36Å; D82-R159 VanDerWaalsContact OD2-CG 3.29Å; D82-R159 WeakPolarHBondContact OD2-CG 3.45Å; W155-R159 PolarHBondContact O-N 3.42Å; F156-R159 WeakPolarHBondContact O-CB 3.31Å; F156-R159 PolarHBondContact O-N 3.4Å; L157-R159 VanDerWaalsContact C-N 3.27Å; L157-R159 PolarHBondContact O-N 3.48Å; R159-K161 VanDerWaalsContact C-N 3.34Å; R159-K161 PolarHBondContact O-N 3.31Å; R159-Q162 WeakPolarHBondContact O-CB 3.43Å; R159-Q162 PolarHBondContact O-N 3.33Å; R159-M163 WeakPolarHBondContact O-CG 3.36Å; R159-M163 PolarHBondContact O-N 3Å
160T94.5Very high94.7Very high1 Ų174.7 Ų74.71%0.00637%0.371CS..Hα-helixtrans-58.6-46.9173.6-58.60000110.9F156 L157 Q162 M163 N164 F171 D173F156-T160 PolarHBondContact O-N 2.93Å; F156-T160 PolarHBondContact O-OG1 2.87Å; L157-T160 PolarHBondContact O-N 3.47Å; T160-Q162 VanDerWaalsContact C-N 3.31Å; T160-Q162 PolarHBondContact O-N 3.29Å; T160-M163 PolarHBondContact O-N 3.33Å; T160-N164 PolarHBondContact O-N 3.02Å; T160-F171 HydrophobicContact CG2-CB 3.93Å; T160-D173 WeakPolarHBondContact CB-OD1 3.47Å; T160-D173 WeakPolarHBondContact CG2-OD1 3.42Å; T160-D173 PolarHBondContact OG1-OD1 3.27Å
161K95.3Very high94.5Very high157 Ų15774.2 Ų74.268%0.68337%0.368SS*.Hα-helixtrans-59.1-42.5175.9-174.2177.4-179.3178.40112.1L157 F158 R159 M163 N164 S165L157-K161 PolarHBondContact O-N 3.18Å; F158-K161 PolarHBondContact O-N 2.98Å; R159-K161 VanDerWaalsContact C-N 3.34Å; R159-K161 PolarHBondContact O-N 3.31Å; K161-M163 VanDerWaalsContact C-N 3.35Å; K161-M163 PolarHBondContact O-N 2.87Å; K161-N164 PolarHBondContact O-N 3.27Å; K161-S165 PolarHBondContact O-N 3.1Å; K161-S165 VanDerWaalsContact O-N 3.09Å
162Q95.2Very high94.5Very high105 Ų10573.9 Ų73.949%0.49136%0.361SS..Hα-helixtrans-62.8-40.8177.5-171.4-177.317.700112.1F158 R159 T160 S165 K166F158-Q162 WeakPolarHBondContact O-CB 3.34Å; F158-Q162 PolarHBondContact O-N 3.03Å; R159-Q162 WeakPolarHBondContact O-CB 3.43Å; R159-Q162 PolarHBondContact O-N 3.33Å; T160-Q162 VanDerWaalsContact C-N 3.31Å; T160-Q162 PolarHBondContact O-N 3.29Å; Q162-S165 PolarHBondContact O-N 2.74Å; Q162-K166 PolarHBondContact O-N 3.26Å
163M91.6Very high94.5Very high18 Ų1875.4 Ų75.49%0.08937%0.369CS..Hα-helixtrans-65.9-41.6176.6-68.6-167.8-52.200112.1R34 R159 T160 K161 S165 K166 Y167 F171R34-M163 VanDerWaalsContact NE-CE 3.26Å; R159-M163 WeakPolarHBondContact O-CG 3.36Å; R159-M163 PolarHBondContact O-N 3Å; T160-M163 PolarHBondContact O-N 3.33Å; K161-M163 VanDerWaalsContact C-N 3.35Å; K161-M163 PolarHBondContact O-N 2.87Å; M163-S165 VanDerWaalsContact C-N 3.25Å; M163-S165 PolarHBondContact O-N 3.3Å; M163-K166 PolarHBondContact O-N 3.47Å; M163-Y167 HydrophobicContact CB-CD2 4.37Å; M163-Y167 WeakPolarHBondContact O-CD2 3.35Å; M163-Y167 PolarHBondContact O-N 2.88Å; M163-F171 HydrophobicContact CB-CD2 3.9Å; M163-F171 HydrophobicContact CB-CE2 4.06Å; M163-F171 HydrophobicContact CE-CD1 4.17Å; M163-F171 HydrophobicContact CE-CD2 4.35Å; M163-F171 HydrophobicContact CE-CG 4.09Å
164N94.6Very high94.4Very high29 Ų2975.4 Ų75.416%0.15537%0.369CS..Hα-helixtrans-60.1-36.7175.3-82.9-23.5000112.4T160 K161 K166 A168 N169 I170 F171T160-N164 PolarHBondContact O-N 3.02Å; K161-N164 PolarHBondContact O-N 3.27Å; N164-K166 VanDerWaalsContact C-N 3.33Å; N164-A168 WeakPolarHBondContact CA-O 3.04Å; N164-A168 CarbonylContact O-C 3.5Å; N164-A168 PolarHBondContact OD1-O 2.76Å; N164-A168 VanDerWaalsContact OD1-O 3.06Å; N164-N169 WeakPolarHBondContact CB-OD1 3.37Å; N164-I170 PolarHBondContact OD1-N 3.38Å; N164-F171 PolarHBondContact ND2-O 3.42Å; N164-F171 WeakPolarHBondContact OD1-CB 3.34Å; N164-F171 WeakPolarHBondContact OD1-CD2 3.34Å; N164-F171 PolarHBondContact OD1-N 2.97Å; N164-F171 PolarHBondContact OD1-O 3.48Å
165S95.3Very high94.3Very high110 Ų11078.8 Ų78.877%0.76938%0.38SS*.Hα-helixtrans-69.5-27.3174.4-1750000113.8K161 Q162 M163K161-S165 PolarHBondContact O-N 3.1Å; K161-S165 VanDerWaalsContact O-N 3.09Å; Q162-S165 PolarHBondContact O-N 2.74Å; M163-S165 VanDerWaalsContact C-N 3.25Å; M163-S165 PolarHBondContact O-N 3.3Å
166K94.3Very high94.3Very high154 Ų15472 Ų7267%0.6735%0.354SS*.Hα-helixtrans-89.8-33.8-175.7-175.1175.8179.6-1750113.1Q162 M163 N164Q162-K166 PolarHBondContact O-N 3.26Å; M163-K166 PolarHBondContact O-N 3.47Å; N164-K166 VanDerWaalsContact C-N 3.33Å
167Y88.9Confident94.4Very high151 Ų15172 Ų7259%0.59235%0.354SS*.SBendtrans-110.9-81.3-172.8-61.3-75.8000110.9M163 F171M163-Y167 HydrophobicContact CB-CD2 4.37Å; M163-Y167 WeakPolarHBondContact O-CD2 3.35Å; M163-Y167 PolarHBondContact O-N 2.88Å; Y167-F171 HydrophobicContact CD2-CE2 4.26Å
168A86.1Confident94.4Very high48 Ų4876 Ų7640%0.39737%0.367SS..  trans-165.3164.7174.700000107.5N164 I170N164-A168 WeakPolarHBondContact CA-O 3.04Å; N164-A168 CarbonylContact O-C 3.5Å; N164-A168 PolarHBondContact OD1-O 2.76Å; N164-A168 VanDerWaalsContact OD1-O 3.06Å; A168-I170 HydrophobicContact CB-CG2 4.06Å; A168-I170 PolarHBondContact O-N 2.88Å
169N90.4Very high94.5Very high147 Ų14771.4 Ų71.479%0.78635%0.348SS*.THydrogen-bonded Turntrans-72.763.7175.6-73-47.2000112N164N164-N169 WeakPolarHBondContact CB-OD1 3.37Å
170I93.8Very high94.7Very high63 Ų6366.6 Ų66.632%0.32333%0.33SS..THydrogen-bonded Turntrans-110.4-15.1-179.861.8171.5000112.7T36 R37 N164 A168T36-I170 WeakPolarHBondContact CA-O 3.49Å; T36-I170 HydrophobicContact CG2-CD1 4.19Å; T36-I170 HydrophobicContact CG2-CG1 4.37Å; R37-I170 PolarHBondContact N-O 2.88Å; N164-I170 PolarHBondContact OD1-N 3.38Å; A168-I170 HydrophobicContact CB-CG2 4.06Å; A168-I170 PolarHBondContact O-N 2.88Å
171F95Very high94.8Very high35 Ų3568.4 Ų68.415%0.15434%0.339CS..EExtended strand (participates in β ladder)trans-97.3140179.2-54-77.5000110.7R34 I35 T36 T160 M163 N164 Y167R34-F171 HydrophobicContact CG-CD1 4.3Å; I35-F171 CarbonylContact O-C 3.57Å; I35-F171 WeakPolarHBondContact O-CA 3.48Å; T36-F171 HydrophobicContact CG2-CD1 4.01Å; T36-F171 HydrophobicContact CG2-CE1 3.85Å; T36-F171 WeakPolarHBondContact OG1-CD1 3.34Å; T160-F171 HydrophobicContact CG2-CB 3.93Å; M163-F171 HydrophobicContact CB-CD2 3.9Å; M163-F171 HydrophobicContact CB-CE2 4.06Å; M163-F171 HydrophobicContact CE-CD1 4.17Å; M163-F171 HydrophobicContact CE-CD2 4.35Å; M163-F171 HydrophobicContact CE-CG 4.09Å; N164-F171 PolarHBondContact ND2-O 3.42Å; N164-F171 WeakPolarHBondContact OD1-CB 3.34Å; N164-F171 WeakPolarHBondContact OD1-CD2 3.34Å; N164-F171 PolarHBondContact OD1-N 2.97Å; N164-F171 PolarHBondContact OD1-O 3.48Å; Y167-F171 HydrophobicContact CD2-CE2 4.26Å
172S95.5Very high95Very high54 Ų5463.2 Ų63.238%0.37833%0.33SS..EExtended strand (participates in β ladder)trans-137.1149.5172.349.90000110.2I35I35-S172 WeakPolarHBondContact CB-OG 3.27Å; I35-S172 PolarHBondContact N-O 2.86Å; I35-S172 PolarHBondContact O-N 3.47Å; I35-S172 PolarHBondContact O-OG 3.48Å
173D96.2Very high95.1Very high40 Ų4059 Ų5921%0.21431%0.313CS..EExtended strand (participates in β ladder)trans-73.6132.4177.1-57.1-57.6000109.3L157 T160 V177 Y178L157-D173 HydrophobicContact CD2-CB 3.9Å; L157-D173 WeakPolarHBondContact CD2-OD2 3.27Å; T160-D173 WeakPolarHBondContact CB-OD1 3.47Å; T160-D173 WeakPolarHBondContact CG2-OD1 3.42Å; T160-D173 PolarHBondContact OG1-OD1 3.27Å; D173-V177 HydrophobicContact CB-CG2 4.4Å; D173-Y178 HydrophobicContact CB-CE2 4.41Å
174G95.8Very high95.5Very high0 Ų058.2 Ų58.20%031%0.308CS..  trans-85.5169.4179.700000113.1Q32 W33 A176 V177Q32-G174 CarbonylContact O-C 3.13Å; Q32-G174 WeakPolarHBondContact O-CA 3.24Å; W33-G174 PolarHBondContact O-N 3.31Å; G174-A176 PolarHBondContact O-N 3.26Å; G174-V177 WeakPolarHBondContact O-CB 3.43Å; G174-V177 WeakPolarHBondContact O-CG2 3.46Å; G174-V177 PolarHBondContact O-N 3.48Å
175F95.9Very high95.6Very high120 Ų12058.2 Ų58.253%0.52632%0.316SS..Hα-helixtrans-55.4-36.5-177.8177.8-117.8000114Q32 V177 Y178 I179Q32-F175 HydrophobicContact CB-CB 4.43Å; Q32-F175 PolarHBondContact O-N 2.91Å; F175-V177 PolarHBondContact O-N 3.29Å; F175-Y178 PolarHBondContact O-N 2.86Å; F175-I179 HydrophobicContact CD1-CD1 3.82Å; F175-I179 HydrophobicContact CD1-CG1 4.41Å; F175-I179 HydrophobicContact CE1-CD1 3.1Å; F175-I179 HydrophobicContact CE1-CG1 3.98Å; F175-I179 HydrophobicContact CE2-CD1 4.05Å; F175-I179 HydrophobicContact CE2-CG1 4.12Å; F175-I179 HydrophobicContact CZ-CD1 3.26Å; F175-I179 HydrophobicContact CZ-CG1 3.83Å; F175-I179 PolarHBondContact O-N 3.04Å
176A97.4Very high95.8Very high1 Ų153.6 Ų53.61%0.00829%0.285CS..Hα-helixtrans-64.1-29-176.200000112.7A27 Q32 W33 G174 I179 A180A27-A176 HydrophobicContact CB-CB 4.37Å; Q32-A176 VanDerWaalsContact O-CB 3.3Å; Q32-A176 WeakPolarHBondContact O-CB 3.36Å; Q32-A176 PolarHBondContact O-N 2.92Å; W33-A176 HydrophobicContact CD2-CB 4.19Å; W33-A176 HydrophobicContact CG-CB 4.09Å; W33-A176 HydrophobicContact CZ2-CB 4.27Å; W33-A176 VanDerWaalsContact NE1-CB 3.25Å; G174-A176 PolarHBondContact O-N 3.26Å; A176-I179 PolarHBondContact O-N 2.85Å; A176-A180 VanDerWaalsContact O-CB 3.29Å; A176-A180 WeakPolarHBondContact O-CB 3.41Å; A176-A180 PolarHBondContact O-N 3.38Å
177V97.7Very high96Very high0 Ų046.2 Ų46.20%025%0.253CS..Hα-helixtrans-62.8-47.3179-173.10000110.6W33 F156 L157 D173 G174 F175 A180 I181W33-V177 HydrophobicContact CD2-CG2 4.33Å; W33-V177 HydrophobicContact CE3-CG2 3.68Å; W33-V177 HydrophobicContact CZ3-CB 4.41Å; W33-V177 HydrophobicContact CZ3-CG1 4.5Å; W33-V177 HydrophobicContact CZ3-CG2 4.02Å; W33-V177 WeakPolarHBondContact O-CG2 3.48Å; F156-V177 HydrophobicContact CD1-CG1 4.11Å; F156-V177 HydrophobicContact CD1-CG2 3.68Å; F156-V177 HydrophobicContact CE1-CG2 3.55Å; F156-V177 HydrophobicContact CZ-CG2 4.39Å; L157-V177 HydrophobicContact CD2-CG1 3.58Å; L157-V177 HydrophobicContact CG-CG1 3.97Å; D173-V177 HydrophobicContact CB-CG2 4.4Å; G174-V177 WeakPolarHBondContact O-CB 3.43Å; G174-V177 WeakPolarHBondContact O-CG2 3.46Å; G174-V177 PolarHBondContact O-N 3.48Å; F175-V177 PolarHBondContact O-N 3.29Å; V177-A180 PolarHBondContact O-N 2.81Å; V177-I181 HydrophobicContact CG1-CD1 4.01Å; V177-I181 WeakPolarHBondContact O-CG1 3.45Å; V177-I181 PolarHBondContact O-N 2.95Å
178Y98.1Very high96.4Very high132 Ų13241.3 Ų41.352%0.51824%0.236SC..Hα-helixtrans-68.8-40.4-178.6-56.6-69.9000112.1D173 F175 G182D173-Y178 HydrophobicContact CB-CE2 4.41Å; F175-Y178 PolarHBondContact O-N 2.86Å; Y178-G182 PolarHBondContact O-N 3.38Å
179I98.1Very high97Very high34 Ų3443.2 Ų43.217%0.17424%0.239CC..Hα-helixtrans-59.8-48.4172.6-71.8-169.3000110.3G23 V26 A27 F175 A176 I181 G182 C183G23-I179 WeakPolarHBondContact O-CG2 3.27Å; V26-I179 HydrophobicContact CG1-CD1 4.15Å; A27-I179 HydrophobicContact CB-CB 4.46Å; A27-I179 HydrophobicContact CB-CG2 4.04Å; F175-I179 HydrophobicContact CD1-CD1 3.82Å; F175-I179 HydrophobicContact CD1-CG1 4.41Å; F175-I179 HydrophobicContact CE1-CD1 3.1Å; F175-I179 HydrophobicContact CE1-CG1 3.98Å; F175-I179 HydrophobicContact CE2-CD1 4.05Å; F175-I179 HydrophobicContact CE2-CG1 4.12Å; F175-I179 HydrophobicContact CZ-CD1 3.26Å; F175-I179 HydrophobicContact CZ-CG1 3.83Å; F175-I179 PolarHBondContact O-N 3.04Å; A176-I179 PolarHBondContact O-N 2.85Å; I179-I181 PolarHBondContact O-N 3.39Å; I179-G182 PolarHBondContact O-N 3Å; I179-C183 VanDerWaalsContact O-CB 3.25Å; I179-C183 WeakPolarHBondContact O-CB 3.18Å; I179-C183 PolarHBondContact O-N 2.95Å; I179-C183 PolarHBondContact O-SG 3.34Å
180A98.2Very high97.3Very high0 Ų036.2 Ų36.20%020%0.202CC..Hα-helixtrans-60.2-46.5-177.800000111.5A27 W33 L90 A176 V177 S184A27-A180 HydrophobicContact CB-CB 4.04Å; W33-A180 HydrophobicContact CH2-CB 3.58Å; W33-A180 HydrophobicContact CZ2-CB 3.88Å; L90-A180 HydrophobicContact CD2-CB 4.19Å; A176-A180 VanDerWaalsContact O-CB 3.29Å; A176-A180 WeakPolarHBondContact O-CB 3.41Å; A176-A180 PolarHBondContact O-N 3.38Å; V177-A180 PolarHBondContact O-N 2.81Å; A180-S184 WeakPolarHBondContact O-CB 3.35Å; A180-S184 PolarHBondContact O-N 3.2Å; A180-S184 PolarHBondContact O-OG 2.73Å
181I98.4Very high97.5Very high38 Ų3833.2 Ų33.220%0.19519%0.186CC..Hα-helixtrans-63.4-49.2177.5-65.6169.9000110.7V154 L157 V177 I179 C183 S184 G185V154-I181 HydrophobicContact CG2-CD1 4.09Å; V154-I181 HydrophobicContact CG2-CG1 4.1Å; V154-I181 HydrophobicContact CG2-CG2 4.37Å; L157-I181 HydrophobicContact CD1-CD1 3.56Å; L157-I181 HydrophobicContact CG-CD1 4.15Å; V177-I181 HydrophobicContact CG1-CD1 4.01Å; V177-I181 WeakPolarHBondContact O-CG1 3.45Å; V177-I181 PolarHBondContact O-N 2.95Å; I179-I181 PolarHBondContact O-N 3.39Å; I181-C183 PolarHBondContact O-N 3.21Å; I181-S184 PolarHBondContact O-N 3.19Å; I181-G185 PolarHBondContact O-N 2.98Å
182G98.4Very high97.5Very high48 Ų4836.2 Ų36.250%0.49520%0.203SC..Hα-helixtrans-61.9-45.1-178.800000112.6Y178 I179 G185 G186Y178-G182 PolarHBondContact O-N 3.38Å; I179-G182 PolarHBondContact O-N 3Å; G182-G185 PolarHBondContact O-N 2.91Å; G182-G186 PolarHBondContact O-N 3.35Å
183C98.4Very high97.4Very high18 Ų1835.7 Ų35.712%0.12220%0.196CC..Hα-helixtrans-71.2-37.1179.3-63.50000112.1C20 I24 I179 I181 G186 L187C20-C183 HydrophobicContact CB-CB 3.99Å; C20-C183 WeakPolarHBondContact CB-O 3.49Å; C20-C183 WeakPolarHBondContact O-CB 3.46Å; I24-C183 HydrophobicContact CD1-CB 4.38Å; I24-C183 HydrophobicContact CG1-CB 3.74Å; I179-C183 VanDerWaalsContact O-CB 3.25Å; I179-C183 WeakPolarHBondContact O-CB 3.18Å; I179-C183 PolarHBondContact O-N 2.95Å; I179-C183 PolarHBondContact O-SG 3.34Å; I181-C183 PolarHBondContact O-N 3.21Å; C183-G186 PolarHBondContact O-N 2.86Å; C183-L187 WeakPolarHBondContact O-CG 3.43Å; C183-L187 PolarHBondContact O-N 3.22Å
184S98.4Very high97.2Very high0 Ų033.9 Ų33.90%019%0.187CC..Hα-helixtrans-63.3-43.5174.4-57.70000111.5G146 A149 A180 I181 G186 L187 M188G146-S184 WeakPolarHBondContact O-CB 3.38Å; A149-S184 WeakPolarHBondContact CB-OG 3.27Å; A180-S184 WeakPolarHBondContact O-CB 3.35Å; A180-S184 PolarHBondContact O-N 3.2Å; A180-S184 PolarHBondContact O-OG 2.73Å; I181-S184 PolarHBondContact O-N 3.19Å; S184-G186 VanDerWaalsContact C-N 3.33Å; S184-G186 PolarHBondContact O-N 3.04Å; S184-L187 PolarHBondContact O-N 3.45Å; S184-M188 WeakPolarHBondContact O-CG 3.44Å; S184-M188 PolarHBondContact O-N 3.12Å; S184-M188 VanDerWaalsContact O-N 3.1Å
185G98.3Very high97Very high30 Ų3036.3 Ų36.331%0.30920%0.197SC..Hα-helixtrans-62.6-39.3172.500000112.5I181 G182 M188 L189I181-G185 PolarHBondContact O-N 2.98Å; G182-G185 PolarHBondContact O-N 2.91Å; G185-M188 PolarHBondContact O-N 3.47Å; G185-L189 PolarHBondContact O-N 2.93Å
186G98.3Very high96.6Very high12 Ų1234.6 Ų34.612%0.12419%0.192CC..Hα-helixtrans-64.6-37.9174.600000113.6I16 C20 G182 C183 S184 L189 A190I16-G186 WeakPolarHBondContact CG2-O 2.96Å; C20-G186 VanDerWaalsContact SG-CA 3.59Å; G182-G186 PolarHBondContact O-N 3.35Å; C183-G186 PolarHBondContact O-N 2.86Å; S184-G186 VanDerWaalsContact C-N 3.33Å; S184-G186 PolarHBondContact O-N 3.04Å; G186-L189 PolarHBondContact O-N 3.49Å; G186-A190 WeakPolarHBondContact O-CB 3.39Å; G186-A190 PolarHBondContact O-N 2.99Å
187L98.4Very high96.1Very high0 Ų035.6 Ų35.60%020%0.195CC..Hα-helixtrans-62.8-42.8171.6-69.4-176.8000111.8A17 C20 V21 I24 A97 L142 C183 S184 L189 A190 A191A17-L187 HydrophobicContact CB-CD2 4.39Å; C20-L187 HydrophobicContact CB-CD2 3.63Å; C20-L187 HydrophobicContact CB-CG 3.87Å; V21-L187 HydrophobicContact CG2-CD2 4.12Å; I24-L187 HydrophobicContact CD1-CD1 3.34Å; I24-L187 HydrophobicContact CD1-CG 4.16Å; A97-L187 HydrophobicContact CB-CD1 3.64Å; A97-L187 HydrophobicContact CB-CD2 4.03Å; L142-L187 HydrophobicContact CD2-CD2 3.83Å; C183-L187 WeakPolarHBondContact O-CG 3.43Å; C183-L187 PolarHBondContact O-N 3.22Å; S184-L187 PolarHBondContact O-N 3.45Å; L187-L189 VanDerWaalsContact C-N 3.34Å; L187-A190 PolarHBondContact O-N 3.21Å; L187-A191 PolarHBondContact O-N 3.38Å
188M98.3Very high95.5Very high47 Ų4738.7 Ų38.723%0.23221%0.208CC..Hα-helixtrans-64.1-40.4175.7-65.917468.400111.2F143 I150 S184 G185 A191 L192F143-M188 HydrophobicContact CD2-CE 4.43Å; F143-M188 HydrophobicContact CD2-CG 4.44Å; F143-M188 HydrophobicContact CE2-CE 3.79Å; F143-M188 HydrophobicContact CZ-CE 4.14Å; I150-M188 HydrophobicContact CD1-SD 4.37Å; I150-M188 HydrophobicContact CG2-SD 4.24Å; S184-M188 WeakPolarHBondContact O-CG 3.44Å; S184-M188 PolarHBondContact O-N 3.12Å; S184-M188 VanDerWaalsContact O-N 3.1Å; G185-M188 PolarHBondContact O-N 3.47Å; M188-A191 WeakPolarHBondContact O-CB 3.27Å; M188-A191 PolarHBondContact O-N 3.34Å; M188-L192 WeakPolarHBondContact O-CG 3.27Å; M188-L192 PolarHBondContact O-N 2.92Å
189L97.9Very high94.8Very high89 Ų8936.4 Ų36.447%0.46621%0.21SC..Hα-helixtrans-61.6-45.6173.8178.263.5000111.8G185 G186 L187 A191 L192 L193G185-L189 PolarHBondContact O-N 2.93Å; G186-L189 PolarHBondContact O-N 3.49Å; L187-L189 VanDerWaalsContact C-N 3.34Å; L189-A191 VanDerWaalsContact C-N 3.29Å; L189-A191 PolarHBondContact O-N 3.1Å; L189-L192 PolarHBondContact O-N 3.44Å; L189-L193 WeakPolarHBondContact O-CG 3.24Å; L189-L193 PolarHBondContact O-N 2.84Å
190A97.3Very high93.8Very high0 Ų041.1 Ų41.10%023%0.233CC..Hα-helixtrans-60.3-39.4175.800000111.9A13 I16 A17 L142 G186 L187 L193 T194A13-A190 WeakPolarHBondContact O-CB 3.38Å; I16-A190 HydrophobicContact CB-CB 4.32Å; I16-A190 HydrophobicContact CG2-CB 4.08Å; A17-A190 HydrophobicContact CB-CB 4.02Å; L142-A190 HydrophobicContact CD1-CB 4.16Å; G186-A190 WeakPolarHBondContact O-CB 3.39Å; G186-A190 PolarHBondContact O-N 2.99Å; L187-A190 PolarHBondContact O-N 3.21Å; A190-L193 PolarHBondContact O-N 2.86Å; A190-T194 PolarHBondContact O-N 3.27Å; A190-T194 PolarHBondContact O-OG1 3.39Å
191A97.5Very high92.4Very high0 Ų043.3 Ų43.30%025%0.247CC..Hα-helixtrans-61.2-46.3173.400000112.1G139 L142 F143 L187 M188 L189 L193 T194 F195G139-A191 WeakPolarHBondContact O-CB 3.08Å; L142-A191 HydrophobicContact CB-CB 3.87Å; F143-A191 HydrophobicContact CB-CB 3.71Å; F143-A191 HydrophobicContact CD2-CB 4.44Å; L187-A191 PolarHBondContact O-N 3.38Å; M188-A191 WeakPolarHBondContact O-CB 3.27Å; M188-A191 PolarHBondContact O-N 3.34Å; L189-A191 VanDerWaalsContact C-N 3.29Å; L189-A191 PolarHBondContact O-N 3.1Å; A191-L193 VanDerWaalsContact C-N 3.35Å; A191-L193 PolarHBondContact O-N 3.45Å; A191-T194 WeakPolarHBondContact O-CB 3.21Å; A191-T194 PolarHBondContact O-N 3.37Å; A191-T194 VanDerWaalsContact O-N 3.12Å; A191-F195 HydrophobicContact CB-CE2 4.11Å; A191-F195 HydrophobicContact CB-CZ 4.47Å; A191-F195 VanDerWaalsContact O-CD2 3.27Å; A191-F195 WeakPolarHBondContact O-CD2 3.43Å; A191-F195 VanDerWaalsContact O-CG 3.27Å; A191-F195 WeakPolarHBondContact O-CG 3.43Å; A191-F195 PolarHBondContact O-N 2.95Å
192L95.9Very high90.7Very high98 Ų9845.3 Ų45.351%0.51326%0.255SS..Hα-helixtrans-61.2-41.5177.9-68.5175.6000112.2M188 L189 T194 F195 M196M188-L192 WeakPolarHBondContact O-CG 3.27Å; M188-L192 PolarHBondContact O-N 2.92Å; L189-L192 PolarHBondContact O-N 3.44Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 3.17Å; L192-F195 HydrophobicContact CD2-CD2 4.49Å; L192-F195 PolarHBondContact O-N 3.02Å; L192-M196 WeakPolarHBondContact O-CB 3.3Å; L192-M196 PolarHBondContact O-N 2.92Å
193L93.3Very high88.5Confident42 Ų4252.6 Ų52.622%0.2227%0.273CS..Hα-helixtrans-62.2-39.1174.4-68.8174.4000111.7T9 A13 I16 L189 A190 A191 M196 W197T9-L193 HydrophobicContact CG2-CB 4.12Å; T9-L193 HydrophobicContact CG2-CD2 4.34Å; A13-L193 HydrophobicContact CB-CB 3.86Å; A13-L193 HydrophobicContact CB-CD1 4.37Å; I16-L193 HydrophobicContact CD1-CD1 3.86Å; L189-L193 WeakPolarHBondContact O-CG 3.24Å; L189-L193 PolarHBondContact O-N 2.84Å; A190-L193 PolarHBondContact O-N 2.86Å; A191-L193 VanDerWaalsContact C-N 3.35Å; A191-L193 PolarHBondContact O-N 3.45Å; L193-M196 HydrophobicContact CD2-CE 4.36Å; L193-M196 PolarHBondContact O-N 3.1Å; L193-W197 WeakPolarHBondContact O-CB 3.22Å; L193-W197 PolarHBondContact O-N 3.21Å
194T91.1Very high85.9Confident3 Ų359 Ų592%0.01831%0.305CS..Hα-helixtrans-69-39177.7-50.50000111.9H135 A190 A191 L192 W197 Y198H135-T194 HydrophobicContact CB-CG2 3.89Å; H135-T194 WeakPolarHBondContact O-CG2 3.36Å; A190-T194 PolarHBondContact O-N 3.27Å; A190-T194 PolarHBondContact O-OG1 3.39Å; A191-T194 WeakPolarHBondContact O-CB 3.21Å; A191-T194 PolarHBondContact O-N 3.37Å; A191-T194 VanDerWaalsContact O-N 3.12Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 3.17Å; T194-W197 WeakPolarHBondContact O-CB 3.38Å; T194-W197 PolarHBondContact O-N 3.5Å; T194-Y198 PolarHBondContact O-N 3.25Å
195F91.6Very high83.4Confident51 Ų5163.2 Ų63.222%0.22433%0.332CS..Hα-helixtrans-68.6-41.7173.7-61.1-35000112.2L136 G139 T140 F143 A191 L192 W197 Y198 C199L136-F195 HydrophobicContact CD1-CD1 4.14Å; L136-F195 HydrophobicContact CD1-CE1 4.34Å; G139-F195 VanDerWaalsContact C-CE1 3.5Å; G139-F195 WeakPolarHBondContact O-CZ 3.29Å; T140-F195 HydrophobicContact CG2-CE1 3.98Å; T140-F195 HydrophobicContact CG2-CZ 4Å; F143-F195 HydrophobicContact CB-CE2 4.34Å; F143-F195 HydrophobicContact CB-CZ 4.45Å; A191-F195 HydrophobicContact CB-CE2 4.11Å; A191-F195 HydrophobicContact CB-CZ 4.47Å; A191-F195 VanDerWaalsContact O-CD2 3.27Å; A191-F195 WeakPolarHBondContact O-CD2 3.43Å; A191-F195 VanDerWaalsContact O-CG 3.27Å; A191-F195 WeakPolarHBondContact O-CG 3.43Å; A191-F195 PolarHBondContact O-N 2.95Å; L192-F195 HydrophobicContact CD2-CD2 4.49Å; L192-F195 PolarHBondContact O-N 3.02Å; F195-W197 VanDerWaalsContact C-N 3.3Å; F195-W197 PolarHBondContact O-N 3.45Å; F195-Y198 WeakPolarHBondContact O-CB 3.38Å; F195-Y198 PolarHBondContact O-N 3.43Å; F195-C199 PolarHBondContact O-N 3.13Å; F195-C199 PolarHBondContact O-SG 3.33Å; F195-C199 VanDerWaalsContact O-SG 3.33Å
196M88.2Confident80.7Confident83 Ų8366 Ų6641%0.40935%0.347SS..Hα-helixtrans-58.4-46.1174.5-175.7-168.873.500110.4T9 L192 L193 Y198 C199 M200T9-M196 HydrophobicContact CG2-CE 3.61Å; L192-M196 WeakPolarHBondContact O-CB 3.3Å; L192-M196 PolarHBondContact O-N 2.92Å; L193-M196 HydrophobicContact CD2-CE 4.36Å; L193-M196 PolarHBondContact O-N 3.1Å; M196-Y198 VanDerWaalsContact C-N 3.35Å; M196-Y198 PolarHBondContact O-N 3.08Å; M196-C199 PolarHBondContact O-N 2.82Å; M196-M200 HydrophobicContact CG-CG 4.21Å; M196-M200 WeakPolarHBondContact O-CB 3.32Å; M196-M200 VanDerWaalsContact O-CG 3.22Å; M196-M200 WeakPolarHBondContact O-CG 3.35Å; M196-M200 PolarHBondContact O-N 2.78Å
197W86.1Confident78.2Confident23 Ų2371.2 Ų71.29%0.08738%0.379CS..Hα-helixtrans-54.9-49.8173.6176.995000111.8I6 T9 N10 A132 H135 L193 T194 F195 C199 M200 C201I6-W197 HydrophobicContact CG2-CG 3.94Å; I6-W197 PolarHBondContact O-NE1 2.89Å; T9-W197 HydrophobicContact CG2-CB 4.42Å; N10-W197 VanDerWaalsContact CG-CD1 3.4Å; N10-W197 WeakPolarHBondContact ND2-CZ2 3.46Å; N10-W197 PolarHBondContact ND2-NE1 2.84Å; N10-W197 VanDerWaalsContact ND2-NE1 3.19Å; N10-W197 VanDerWaalsContact OD1-CB 3.27Å; N10-W197 WeakPolarHBondContact OD1-CB 3.21Å; N10-W197 VanDerWaalsContact OD1-CD2 3.32Å; A132-W197 HydrophobicContact CB-CH2 4.24Å; A132-W197 HydrophobicContact CB-CZ3 4.19Å; H135-W197 HydrophobicContact CB-CE3 4.14Å; H135-W197 HydrophobicContact CB-CZ3 3.8Å; H135-W197 AromaticContact CD2-CH2 3.98Å; H135-W197 AromaticContact CD2-CZ3 3.97Å; L193-W197 WeakPolarHBondContact O-CB 3.22Å; L193-W197 PolarHBondContact O-N 3.21Å; T194-W197 WeakPolarHBondContact O-CB 3.38Å; T194-W197 PolarHBondContact O-N 3.5Å; F195-W197 VanDerWaalsContact C-N 3.3Å; F195-W197 PolarHBondContact O-N 3.45Å; W197-C199 VanDerWaalsContact C-N 3.34Å; W197-C199 PolarHBondContact O-N 3.42Å; W197-M200 PolarHBondContact O-N 2.85Å; W197-C201 WeakPolarHBondContact O-CB 3.48Å; W197-C201 PolarHBondContact O-N 2.76Å
198Y84.4Confident75.6Confident65 Ų6579.7 Ų79.726%0.25542%0.416SS..Hα-helixtrans-58.7-44.3-179.9-177-95.4000112.2A132 L136 T194 F195 M196 K202A132-Y198 HydrophobicContact CB-CD2 4.33Å; A132-Y198 HydrophobicContact CB-CE2 4.2Å; L136-Y198 HydrophobicContact CB-CD2 4.06Å; L136-Y198 HydrophobicContact CB-CE2 4.13Å; L136-Y198 HydrophobicContact CD1-CD1 3.91Å; L136-Y198 HydrophobicContact CD1-CD2 4.32Å; L136-Y198 HydrophobicContact CD1-CE1 4.14Å; L136-Y198 HydrophobicContact CD1-CG 4Å; L136-Y198 HydrophobicContact CD2-CE1 4.27Å; L136-Y198 HydrophobicContact CD2-CE2 4.2Å; T194-Y198 PolarHBondContact O-N 3.25Å; F195-Y198 WeakPolarHBondContact O-CB 3.38Å; F195-Y198 PolarHBondContact O-N 3.43Å; M196-Y198 VanDerWaalsContact C-N 3.35Å; M196-Y198 PolarHBondContact O-N 3.08Å; Y198-K202 PolarHBondContact O-N 3.25Å
199C83.4Confident73.3Confident83 Ų8389.3 Ų89.356%0.56145%0.45SS*.Hα-helixtrans-70.2-34.9179.3-66.30000113.4F195 M196 W197F195-C199 PolarHBondContact O-N 3.13Å; F195-C199 PolarHBondContact O-SG 3.33Å; F195-C199 VanDerWaalsContact O-SG 3.33Å; M196-C199 PolarHBondContact O-N 2.82Å; W197-C199 VanDerWaalsContact C-N 3.34Å; W197-C199 PolarHBondContact O-N 3.42Å
200M78.4Confident71.3Confident134 Ų13491.8 Ų91.866%0.6646%0.463SS*.Hα-helixtrans-81.8-32-178.4-68-68.2-177.600112.9M196 W197M196-M200 HydrophobicContact CG-CG 4.21Å; M196-M200 WeakPolarHBondContact O-CB 3.32Å; M196-M200 VanDerWaalsContact O-CG 3.22Å; M196-M200 WeakPolarHBondContact O-CG 3.35Å; M196-M200 PolarHBondContact O-N 2.78Å; W197-M200 PolarHBondContact O-N 2.85Å
201C68.6Low68.8Low45 Ų4597.1 Ų97.130%0.30450%0.497SS..Hα-helixtrans-81.7-23.8179.4-94.70000114I6 W197I6-C201 WeakPolarHBondContact CG2-SG 3.2Å; W197-C201 WeakPolarHBondContact O-CB 3.48Å; W197-C201 PolarHBondContact O-N 2.76Å
202K62.5Low66Low80 Ų80104.4 Ų104.435%0.34854%0.535SS..PPolyproline II helixtrans-99.9121.7175.4-84.4-130.4175.1-174.30111.2Y198 L204Y198-K202 PolarHBondContact O-N 3.25Å; K202-L204 PolarHBondContact O-N 2.92Å
203K51.7Low63.6Low202 Ų202108 Ų10888%0.87855%0.55SS*.PPolyproline II helixtrans-59.1117143.8-79.8-179.1176.9178.20105.6P205K203-P205 WeakPolarHBondContact O-CD 3.17Å
204L44Very low61Low152 Ų152111.2 Ų111.280%0.79657%0.573SS**PPolyproline II helixtrans-50.4116.3173.2-83.577.2000107.5K202K202-L204 PolarHBondContact O-N 2.92Å
205P45.5Very low59Low88 Ų88117.2 Ų117.257%0.57161%0.609SS**PPolyproline II helixtrans-63.6142.3155.8-321.3000105.6K203K203-P205 WeakPolarHBondContact O-CD 3.17Å
206S43.1Very low56.2Low90 Ų90120.4 Ų120.463%0.62963%0.633SS**  trans-45.3150.4173.548.10000111.4F208S206-F208 PolarHBondContact O-N 3.27Å
207P45Very low53.9Low120 Ų120121.8 Ų121.878%0.77965%0.651SS**SBendtrans-76.970.3-172.834.5-35.3000109.9
208F43.8Very low51.3Low179 Ų179126 Ų12679%0.78568%0.684SS**  trans-131.4101.9169.6-84.7-83.4000108.3S206 L210S206-F208 PolarHBondContact O-N 3.27Å; F208-L210 VanDerWaalsContact C-N 3.35Å; F208-L210 PolarHBondContact O-N 2.93Å
209W49.2Very low49.3Very low248 Ų248128.9 Ų128.994%0.93971%0.711SS**  trans-59.7100.7156.8-7789.1000108
210L57.3Low47Very low142 Ų142130.7 Ų130.774%0.74372%0.724SS**  trans42.3149.6157.6-81.9122.8000120.2F208F208-L210 VanDerWaalsContact C-N 3.35Å; F208-L210 PolarHBondContact O-N 2.93Å
211P43.8Very low44.9Very low111 Ų111131.5 Ų131.572%0.72174%0.737SS**  -147.1148.999.632.7-13.7000116.6
212L38.7Very low43.3Very low153 Ų153138.5 Ų138.580%0.80177%0.765SS**  trans67.3128.2145.5-62.9160.3000119.7P214L212-P214 WeakPolarHBondContact O-CD 3.41Å
213E45.2Very low41.9Very low175 Ų175143.6 Ų143.682%0.81879%0.79SS**  trans-55126.5157.6-67.8-176.9156.400109.7V215E213-V215 PolarHBondContact O-N 3.32Å
214P39.1Very low41Very low108 Ų108142.2 Ų142.270%0.70179%0.791SS**  trans-80108151.910.27.1000106.7L212 T216L212-P214 WeakPolarHBondContact O-CD 3.41Å; P214-T216 PolarHBondContact O-N 3.38Å
215V50Low40.6Very low129 Ų129141.2 Ų141.278%0.78279%0.791SS**  trans-63.996.8153.4179.50000106.3E213E213-V215 PolarHBondContact O-N 3.32Å
216T32.7Very low40.2Very low119 Ų119141.1 Ų141.173%0.7380%0.798SS**  trans-139.5101.8159.943.60000110P214 S218P214-T216 PolarHBondContact O-N 3.38Å; T216-S218 PolarHBondContact O-N 2.95Å
217S39.3Very low39.8Very low111 Ų111144.4 Ų144.478%0.77681%0.809SS**  trans-55.8110.7156.249.70000110.3
218S31.4Very low39.6Very low113 Ų113142.1 Ų142.179%0.7981%0.807SS**  trans175.2146.1137.4-85.40000112.5T216T216-S218 PolarHBondContact O-N 2.95Å
219P41.6Very low39.2Very low125 Ų125143.2 Ų143.281%0.81281%0.812SS**  trans-90.2120.1-174.934.8-28.7000110.9
220S36.2Very low38.6Very low121 Ų121137 Ų13785%0.84680%0.804SS**  trans177.493.3148.943.10000110
221T34.1Very low37.7Very low151 Ų151136.2 Ų136.293%0.92681%0.807SS**  trans-101.897.7167.331.70000108.9
222Q35.7Very low37.4Very low192 Ų192135.9 Ų135.990%0.89781%0.808SS**  trans-103.7144.8154.2-99-169.5-12.900110
223H32.3Very low37.5Very low187 Ų187134.7 Ų134.787%0.86681%0.809SS**  trans-79.1123.1-168.9-148.5-118.1000110.7
224L33.5Very low37Very low173 Ų173133 Ų13391%0.90681%0.81SS**  trans-88.3113.9176.2-79.3157.1000110.3
225T35.6Very low36.7Very low130 Ų130139 Ų13980%0.79882%0.821SS**  trans-94.1142.81636.40000110.5N227T225-N227 PolarHBondContact O-N 3.32Å
226A35.9Very low36Very low87 Ų87135.9 Ų135.972%0.71981%0.814SS**SBendtrans-59.2122.8-175.500000113.1
227N35.9Very low36.1Very low158 Ų158136.6 Ų136.685%0.84582%0.821SS**  trans166.8110.2135-79-26.5000107.4T225 F229T225-N227 PolarHBondContact O-N 3.32Å; N227-F229 PolarHBondContact O-N 3.45Å
228G39.8Very low35.7Very low73 Ų73139.9 Ų139.975%0.75382%0.824SS**  trans-72.3119.5-172.800000112.8
229F34.8Very low36Very low201 Ų201140.2 Ų140.288%0.88282%0.823SS**  trans-172138.7139.3-95-73.8000107.3N227N227-F229 PolarHBondContact O-N 3.45Å
230P36.8Very low35.8Very low118 Ų118143.9 Ų143.977%0.76683%0.827SS**PPolyproline II helixtrans-80.6134.9-177.330.8-31.6000111.5
231P38.8Very low35.9Very low126 Ų126143.4 Ų143.482%0.81882%0.821SS**PPolyproline II helixtrans-87.4133.8167.331.7-28.4000111.3
232S36.9Very low36Very low104 Ų104142.3 Ų142.373%0.72782%0.817SS**PPolyproline II helixtrans-60.6152172.5-51.80000112.8V234S232-V234 PolarHBondContact O-N 3.17Å
233P41.3Very low35.9Very low127 Ų127142.5 Ų142.583%0.82582%0.818SS**PPolyproline II helixtrans-77.8118.3178.729.7-30.9000111.4
234V34.7Very low36Very low141 Ų141138.6 Ų138.686%0.85582%0.817SS**PPolyproline II helixtrans-91.9117.7167.5174.60000108.3S232S232-V234 PolarHBondContact O-N 3.17Å
235Y33.5Very low36Very low233 Ų233138 Ų13891%0.91481%0.814SS**PPolyproline II helixtrans-67.1127.7169.1-108.6-98.3000109.9
236G35.3Very low36.4Very low63 Ų63137.4 Ų137.465%0.64981%0.813SS**  trans-137.9133.716800000109.7
237P33.6Very low36.5Very low135 Ų135138.3 Ų138.388%0.87781%0.811SS**PPolyproline II helixtrans-79.4134.8-167.830.4-33.1000112.4
238Q32.8Very low36.2Very low180 Ų180137.2 Ų137.284%0.84181%0.811SS**PPolyproline II helixtrans-97.4137169.5-123.1-157.7-24.400110.5
239P37Very low35.8Very low119 Ų119140.1 Ų140.177%0.77381%0.813SS**PPolyproline II helixtrans-81.2135.1177.929.3-30.7000112.8
240F36.5Very low35.7Very low202 Ų202137.4 Ų137.489%0.88681%0.806SS**PPolyproline II helixtrans-77.1148.9172.6-78.9-93.2000112.2
241P39.1Very low35.3Very low111 Ų111138.3 Ų138.372%0.72181%0.805SS**PPolyproline II helixtrans-84.3152165.632.9-30.5000112
242P36.6Very low34.9Very low129 Ų129138 Ų13884%0.83880%0.801SS**PPolyproline II helixtrans-84.9135.3-17032.7-32.2000112.3
243Q33.6Very low34.6Very low196 Ų196141.3 Ų141.392%0.91681%0.805SS**  trans-117.3127.5162.5-76.7-170.1-19.800110
244A33.1Very low34.4Very low104 Ų104140.9 Ų140.986%0.8680%0.802SS**  trans-74.5138.2-175.900000112.2
245L34.2Very low34Very low160 Ų160143.1 Ų143.184%0.83880%0.801SS**  trans-80159.8164.2-79145.4000110.5
246P44.1Very low33.8Very low119 Ų119137.6 Ų137.677%0.77379%0.791SS**  -136.1166.4106.131.6-16.1000114.5
247P38.1Very low34.3Very low105 Ų105139.6 Ų139.668%0.68279%0.793SS**  trans-104.4179.9-159.840.8-32.9000114.2
248T29.8Very low35Very low136 Ų136138.5 Ų138.583%0.83479%0.786SS**  trans120.6136163.458.60000112
249V31Very low34.8Very low133 Ų133139.5 Ų139.581%0.80679%0.79SS**  cis-161.5155.94.7134.30000107.7
250I33.5Very low34.4Very low144 Ų144137 Ų13774%0.73879%0.786SS**  trans-66.9141.6-179.7-67.6151.2000112.3
251D28.9Very low34.1Very low137 Ų137137.9 Ų137.973%0.73379%0.785SS**  -173140.1118.8-112.6-27000118.1
252T29.1Very low33.6Very low121 Ų121138.6 Ų138.674%0.74278%0.782SS**  trans66.6109.6150.356.10000123.1
253Q31.1Very low33.2Very low173 Ų173140.2 Ų140.281%0.80878%0.778SS**  trans-74.7168.4145.9-80.5-175.4-30.700111.1
254P36.4Very low33.1Very low118 Ų118137.1 Ų137.177%0.76677%0.768SS**  -147.6151.999.933.7-14.6000117.9
255F26.2Very low32.8Very low187 Ų187137.4 Ų137.482%0.8276%0.759SS**  trans74.288.3138.5-100.6-100.4000124.6
256V29.8Very low32.6Very low117 Ų117138 Ų13871%0.70976%0.759SS**  25.2156.8100.1-156.20000119.7
257P45.9Very low32.1Very low106 Ų106136.6 Ų136.669%0.68876%0.758SS**  cis-140.5-143.3-4546-27.6000113.2
258P48.8Very low32.4Very low112 Ų112137.5 Ų137.573%0.72776%0.763SS**  cis-130.7175.6-45.530.2-8.9000114.6
259Q28.9Very low32.5Very low201 Ų201135.5 Ų135.594%0.93976%0.761SS**  trans158.7137137.4-90-178-3.300108.8
260G27.8Very low33.1Very low67 Ų67135 Ų13569%0.69176%0.76SS**  cis169131.3-1.200000109.6
261Y29.9Very low33Very low219 Ų219132 Ų13286%0.85976%0.757SS**  trans64.4116.9147.2-87.4-106.1000126
262I28.6Very low33Very low127 Ų127134.6 Ų134.665%0.65176%0.764SS**  66.3113.1125.6-59.8-166.7000124
263Q28.4Very low32.9Very low163 Ų163134.8 Ų134.876%0.76277%0.766SS**  30.7120.9121.2-138.4172.7-41.500121.3
264N31.1Very low32.7Very low130 Ų130137.8 Ų137.870%0.69577%0.771SS**  157.4137.8116.5-98.9-17000115.2
265V28Very low32.3Very low110 Ų110139.4 Ų139.467%0.66777%0.77SS**  trans87.3130.5131.9173.80000122
266M29.8Very low32.4Very low174 Ų174134.5 Ų134.586%0.85776%0.759SS**  trans59.6131154.6-112.878.985.400122.9
267A32.8Very low32.3Very low89 Ų89138.5 Ų138.574%0.73677%0.77SS**  trans-60172157.800000112.3
268P45.5Very low31.5Very low123 Ų123139.1 Ų139.180%0.79977%0.772SS**  cis-142.4168.628.237.1-14.2000118.7
269A31.1Very low30.7Very low95 Ų95139 Ų13979%0.78577%0.773SS**  trans10.7167.3155.500000122.6
270P44.5Very low31.3Very low121 Ų121135.6 Ų135.679%0.78677%0.769SS**  cis-138.5177.21.434.3-11.2000117.1
271A30.6Very low31.7Very low81 Ų81136.4 Ų136.467%0.66977%0.769SS**  trans37.7122.1149.200000122
272Q28.4Very low31.9Very low192 Ų192134.5 Ų134.590%0.89777%0.773SS**  trans-148.5141.3137.3-80-52.9-64.700111.9
273V26.8Very low32Very low126 Ų126131.5 Ų131.576%0.76477%0.774SS**  trans-71.5143.5176.9169.70000110.4
274Y28.1Very low32.2Very low236 Ų236135.4 Ų135.493%0.92578%0.783SS**  trans-142.6137.5152.9-142.5-93.7000111.9
275M26.5Very low32.2Very low151 Ų151132.2 Ų132.274%0.74478%0.781SS**  trans-99.9143.6-174.2-154.7-174165.200109.6
276S29.1Very low32.6Very low84 Ų84133.2 Ų133.259%0.58779%0.793SS**  trans37.9125.8146.856.10000121.7
277Q26.8Very low32.8Very low202 Ų202134 Ų13494%0.94480%0.795SS**  trans-132.1148.6140.6-85-167.7-2800111.4
278V31Very low33Very low119 Ų119137.2 Ų137.272%0.72181%0.805SS**  trans-113144.5-159.9163.40000109.5
279S31.1Very low32.3Very low108 Ų108134.9 Ų134.976%0.75580%0.803SS**  trans72.2155154.1-73.70000119.1
280P41.2Very low32.3Very low131 Ų131134 Ų13485%0.85180%0.803SS**  cis-134.9176.133.137.2-16.2000118.3
281A35.6Very low31.8Very low84 Ų84134.3 Ų134.369%0.69481%0.808SS**  trans-109.4163.7178.900000111.5
282D34.6Very low31.8Very low178 Ų178139.7 Ų139.795%0.95282%0.82SS**  trans-174.7142.3150.1-79.9-36.3000107
283G30.5Very low32Very low64 Ų64135.1 Ų135.166%0.6681%0.814SS**  cis178.8171.91.800000111.4
284Y32.9Very low32.2Very low245 Ų245139.7 Ų139.796%0.96182%0.819SS**  trans60.8133.7164.4-78.3-95.8000119.9
285G31.2Very low32.1Very low63 Ų63133.2 Ų133.265%0.64981%0.809SS**  cis155.6137.32.400000108.8
286S36.6Very low32.3Very low131 Ų131136.8 Ų136.892%0.91682%0.816SS**  trans167.6133.9151.9-71.80000111.4
287E33.5Very low32.4Very low192 Ų192136.6 Ų136.690%0.89782%0.82SS**  trans-88.8147.4-163.3-54.3165138.600114
288V38.3Very low32.9Very low155 Ų155132.5 Ų132.594%0.93981%0.81SS**  trans-152.9138.7135.6-165.50000108.6
289G30.6Very low32.9Very low74 Ų74131.7 Ų131.776%0.76381%0.81SS**  trans-93.5168.1-16200000118.9
290G31.1Very low33Very low77 Ų77135.1 Ų135.179%0.79481%0.814SS**  trans83.6127.9153.700000116.2
291S33Very low32.4Very low127 Ų127134.2 Ų134.289%0.88881%0.811SS**  cis-166.3150.525.634.70000110
292Q31.6Very low32.2Very low195 Ų195140.7 Ų140.791%0.91182%0.819SS**  trans-90151.1-177.1-68.3-171.8-27.500113.5
293A31.6Very low32.3Very low95 Ų95136.8 Ų136.879%0.78581%0.812SS**  trans-158.5112.7145.100000113.4
294Y30.5Very low32.5Very low222 Ų222139.8 Ų139.887%0.87182%0.819SS**  trans31.4112.7145.8-78.6-90.5000124.5
295S27.3Very low32.6Very low101 Ų101133.4 Ų133.471%0.70681%0.81SS**  33.5124118.4-1330000122.7
296Y30.5Very low32.8Very low225 Ų225138.7 Ų138.788%0.88282%0.818SS**  176.6136.5113.9-112.1-90.6000111.4
297A30.2Very low32.5Very low81 Ų81137.8 Ų137.867%0.66981%0.812SS**  trans-106.6155.7158.800000107.6
298P38.2Very low32.5Very low115 Ų115139.2 Ų139.275%0.74781%0.811SS**  -157.4173.873.338-15.1000118.7
299S30.8Very low32.3Very low103 Ų103135.9 Ų135.972%0.7280%0.8SS**  trans75.9116.2142.155.80000123.7
300Q32.8Very low32.5Very low179 Ų179138.7 Ų138.784%0.83680%0.804SS**  47.8120.9125-70-76.82000120.3
301S28.7Very low32.6Very low112 Ų112140.3 Ų140.378%0.78380%0.804SS**  trans-167.7113.3142.8-76.20000112.7
302Y30.9Very low32.7Very low220 Ų220142 Ų14286%0.86380%0.797SS**  trans43.2123144.3-75.7-90.6000122.7
303A37.7Very low32.6Very low97 Ų97137.5 Ų137.580%0.80279%0.788SS**  trans-73.8151156.800000112.1
304P35.1Very low32.8Very low127 Ų127144 Ų14483%0.82579%0.793SS**  trans-113.1143.4150.425.1-8.9000112.5
305S33.5Very low33.1Very low110 Ų110137.8 Ų137.877%0.76979%0.788SS**  trans-77150-178.443.90000115
306Q36.8Very low33.5Very low175 Ų175139.1 Ų139.182%0.81879%0.794SS**  trans32.5123141.5-74.4-78.619.600119.7
307S29.3Very low33.7Very low112 Ų112133.7 Ų133.778%0.78379%0.789SS**  trans-162.1108.4149.3-740000113.4
308Y33.3Very low34Very low221 Ų221138.4 Ų138.487%0.86780%0.798SS**  trans51.8117.6139.8-77.6-89.9000123
309A35.3Very low33.6Very low86 Ų86137 Ų13771%0.71179%0.79SS**PPolyproline II helixtrans-77.9143.3150.600000110.9
310P35Very low33.7Very low133 Ų133143.1 Ų143.186%0.86480%0.799SS**PPolyproline II helixtrans-88.5128.5160.8116000110.6
311S33.3Very low34Very low111 Ų111138.9 Ų138.978%0.77679%0.794SS**PPolyproline II helixtrans-99.8155.9171.148.40000111.1
312Q34.5Very low34.4Very low161 Ų161139.7 Ų139.775%0.75280%0.797SS**  trans77.4111.1155.8-66.8-71.417.700121.2
313S30Very low34.5Very low102 Ų102134.6 Ų134.671%0.71379%0.793SS**  trans-49.8140.4152.237.50000115.2
314Y34.1Very low34.3Very low231 Ų231138.1 Ų138.191%0.90679%0.793SS**  trans-116126.7155.3-96.2-90.5000109.6
315A37Very low34.2Very low91 Ų91136 Ų13675%0.75278%0.782SS**  trans-91.5151.7166.900000110
316P36.6Very low34Very low129 Ų129141.9 Ų141.984%0.83879%0.789SS**  trans-109.4127.1153.622-5.7000111.2
317S34.8Very low33.7Very low112 Ų112137.6 Ų137.678%0.78378%0.783SS**  trans-81145.1166.243.60000112.1
318Q36.3Very low34.7Very low180 Ų180138.2 Ų138.284%0.84179%0.785SS**  trans6.4143.1144.8-66.3-90.720.400117.2
319S30.4Very low34.6Very low84 Ų84133.1 Ų133.159%0.58778%0.781SS**  cis177.1151.821.839.10000107.6
320Y32.1Very low34.5Very low233 Ų233137.2 Ų137.291%0.91479%0.786SS**  trans-176.6124.9136.9-106.2-76.1000110.3
321A39.2Very low34.2Very low89 Ų89135 Ų13574%0.73677%0.774SS**  trans-89.6155.5167.300000110.3
322P36.7Very low34.1Very low130 Ų130141 Ų14184%0.84478%0.781SS**  -133.9154.5128.323.6-4.9000114.1
323S33.9Very low34Very low112 Ų112137.5 Ų137.578%0.78378%0.779SS**  trans-85.4147-174.645.50000115.1
324Q34.2Very low34.4Very low171 Ų171138.2 Ų138.280%0.79978%0.782SS**  trans49.2123.7137.2-78.1-82.622.700123.3
325S31Very low34.3Very low84 Ų84131.9 Ų131.959%0.58777%0.771SS**  trans62.2124.4135.8610000122.6
326Y30.5Very low34.1Very low233 Ų233135.9 Ų135.991%0.91477%0.774SS**  -172.6144.4108.8-104.7-81.1000111.3
327A30.9Very low33.7Very low85 Ų85133.7 Ų133.770%0.70276%0.761SS**  trans-133.3179.2165.300000107
328P49.1Very low33.5Very low124 Ų124139.1 Ų139.181%0.80577%0.766SS**  cis-130.2177.3-38.935.1-17.5000112.7
329S32.4Very low33.3Very low114 Ų114134.6 Ų134.680%0.79776%0.76SS**  trans-170.3110.9154.452.40000110.8
330Q32.7Very low33.5Very low173 Ų173136.6 Ų136.681%0.80877%0.771SS**  78.5111.590.9-87-76.737.600116.6
331S29.3Very low33.6Very low87 Ų87130.4 Ų130.461%0.60876%0.762SS**  trans49126.3137.758.80000122.5
332Y30.4Very low33.4Very low237 Ų237134.5 Ų134.593%0.92977%0.766SS**  -156121.7126.6-107-81.1000111.4
333A31.6Very low32.9Very low86 Ų86134.3 Ų134.371%0.71177%0.767SS**  trans-112.3167.9149.200000105.8
334P39.4Very low32.8Very low118 Ų118139.5 Ų139.577%0.76677%0.771SS**  cis-135.4-171.127.832.1-5.7000111.9
335S32.1Very low32.5Very low97 Ų97135.8 Ų135.868%0.67877%0.77SS**  176.9148.454.748.90000112.5
336Q32.7Very low32.4Very low176 Ų176137.5 Ų137.582%0.82278%0.782SS**  trans50.2142.2136.9-63.2-80.615.100118.8
337S27.1Very low32.3Very low82 Ų82131.6 Ų131.657%0.57378%0.775SS**  cis-177.5153.721.727.90000108.6
338Y31Very low32.4Very low226 Ų226138.5 Ų138.589%0.88678%0.784SS**  trans150118.1130.1-98.7-87.5000112.6
339A32.3Very low31.7Very low85 Ų85137 Ų13770%0.70278%0.782SS**  trans-90.6160.1160.100000109.7
340P35.8Very low31.4Very low126 Ų126135.2 Ų135.282%0.81878%0.781SS**  -133.4155.4123.424.2-5.6000115.3
341S32.4Very low31.7Very low104 Ų104136 Ų13673%0.72779%0.785SS**  trans-37141.2176.946.80000122.4
342Q35.4Very low31.9Very low174 Ų174143 Ų14381%0.81380%0.798SS**  trans44125.7130.7-77.8175.9-14.900122.4
343S27.4Very low32.2Very low126 Ų126143.2 Ų143.288%0.88180%0.799SS**  trans-151.914013424.10000110.4
344Y31.2Very low32.4Very low222 Ų222144.4 Ų144.487%0.87180%0.802SS**  trans-90.8159.4-172.4-108.8-99.6000112.7
345A27.8Very low32.2Very low92 Ų92145.3 Ų145.376%0.7681%0.806SS**  trans95.599.1151.300000120.6
346S29.5Very low32.3Very low120 Ų120150.3 Ų150.384%0.83981%0.81SS**  50.8109.6122.8-146.10000120.6
347S28.3Very low32.4Very low110 Ų110147.4 Ų147.477%0.76981%0.809SS**  -176.4143.6116.759.10000112.2
348Y32.7Very low33.5Very low230 Ų230153.3 Ų153.390%0.90282%0.818SS**  trans-0.4147.8159.9-83.6-102.2000121.7
349A33.9Very low34.1Very low92 Ų92151 Ų15176%0.7682%0.818SS**  trans89.172.4162.600000117.3H351A349-H351 PolarHBondContact O-N 3.33Å
350G27.4Very low34.6Very low76 Ų76152.4 Ų152.478%0.78482%0.822SS**  trans-81.2101.7162.700000111.9R352G350-R352 PolarHBondContact O-N 3.44Å
351H38.4Very low35.1Very low189 Ų189151.6 Ų151.688%0.87583%0.826SS**  trans-67.8101.7155-83.1-73.5000108.6A349A349-H351 PolarHBondContact O-N 3.33Å
352R33.7Very low36.1Very low236 Ų236153 Ų15389%0.89182%0.824SS**  trans-96.3115.1166.5-78.4-172.5179.5172.91.1109.7G350 S354G350-R352 PolarHBondContact O-N 3.44Å; R352-S354 PolarHBondContact O-N 3.43Å; R352-S354 VanDerWaalsContact O-N 3.16Å
353Y36.9Very low36.1Very low240 Ų240153.4 Ų153.494%0.94183%0.826SS**  trans-53.5112.5153.5-89.3-95.3000108.2
354S34.7Very low37.1Very low111 Ų111153.5 Ų153.578%0.77682%0.816SS**  trans-102.2120.1171.5-169.80000108.8R352 R356R352-S354 PolarHBondContact O-N 3.43Å; R352-S354 VanDerWaalsContact O-N 3.16Å; S354-R356 PolarHBondContact O-N 3.19Å; S354-R356 VanDerWaalsContact O-N 3.1Å
355T34.8Very low37.2Very low138 Ų138150 Ų15085%0.84781%0.812SS**  trans-62.2106.1176.30.40000109.5S357T355-S357 PolarHBondContact O-N 3.01Å; T355-S357 VanDerWaalsContact O-N 3.15Å
356R35.6Very low38.1Very low202 Ų202152 Ų15276%0.76281%0.808SS**  trans-66.6104.3179.8-170.5-179.3-167.5-1615.5110.8S354 R358S354-R356 PolarHBondContact O-N 3.19Å; S354-R356 VanDerWaalsContact O-N 3.1Å; R356-R358 HydrophobicContact CG-CG 4.43Å; R356-R358 PolarHBondContact O-N 2.77Å
357S34.7Very low38.5Very low115 Ų115151.7 Ų151.780%0.80480%0.804SS**  trans-77.596.5164-61.80000108.7T355 M359T355-S357 PolarHBondContact O-N 3.01Å; T355-S357 VanDerWaalsContact O-N 3.15Å; S357-M359 VanDerWaalsContact C-N 3.3Å; S357-M359 PolarHBondContact O-N 3.23Å
358R48.9Very low39Very low206 Ų206152.1 Ų152.178%0.77780%0.802SS**  trans-70.283.3168.8-84.4-173.3166.8-176.3-2.4109.8R356R356-R358 HydrophobicContact CG-CG 4.43Å; R356-R358 PolarHBondContact O-N 2.77Å
359M45.4Very low39.2Very low176 Ų176148.3 Ų148.387%0.86780%0.796SS**  trans-151.481.4162.3-81.2-172166.100108.6S357S357-M359 VanDerWaalsContact C-N 3.3Å; S357-M359 PolarHBondContact O-N 3.23Å
360S41Very low39.6Very low115 Ų115149.7 Ų149.780%0.80480%0.795SS**  trans174.2114.2154.6-78.10000108.1I362S360-I362 VanDerWaalsContact C-N 3.34Å
361A46.3Very low39.8Very low109 Ų109154.2 Ų154.290%0.90180%0.795SS**SBendtrans-98.466.7164.100000108
362I55.4Low39.9Very low134 Ų134150.6 Ų150.669%0.68779%0.789SS**  trans-163.9109.4158.9-89.5145.6000103.8S360 I364S360-I362 VanDerWaalsContact C-N 3.34Å; I362-I364 HydrophobicContact CG2-CD1 3.72Å; I362-I364 HydrophobicContact CG2-CG1 3.72Å
363E34.2Very low40Very low182 Ų182152.3 Ų152.385%0.8581%0.807SS**  trans-92.2107.2174.9-171.5165.9-157.300106.7
364I49.2Very low40.1Very low129 Ų129148 Ų14866%0.66280%0.8SS**  trans-123.6107.1167.2-60.6172.1000105.4I362 I366I362-I364 HydrophobicContact CG2-CD1 3.72Å; I362-I364 HydrophobicContact CG2-CG1 3.72Å; I364-I366 HydrophobicContact CG2-CD1 4.45Å; I364-I366 HydrophobicContact CG2-CG1 4.14Å; I364-I366 PolarHBondContact O-N 2.97Å
365D33.1Very low40.4Very low149 Ų149149.9 Ų149.980%0.79780%0.801SS**  trans-65.4116.2172.5-94.2-38.4000109.8
366I46.6Very low40.7Very low132 Ų132150.6 Ų150.668%0.67780%0.799SS**  trans-125.8112.5164.8-57.6174.5000106.9I364 V368I364-I366 HydrophobicContact CG2-CD1 4.45Å; I364-I366 HydrophobicContact CG2-CG1 4.14Å; I364-I366 PolarHBondContact O-N 2.97Å; I366-V368 PolarHBondContact O-N 3.42Å; I366-V368 VanDerWaalsContact O-N 3.14Å
367P37.5Very low41Very low115 Ų115147.5 Ų147.575%0.74780%0.801SS**  trans-71.1109.7176.427.3-31.3000109.6L369P367-L369 PolarHBondContact O-N 3.42Å
368V38.1Very low41.4Very low119 Ų119149.6 Ų149.672%0.72180%0.801SS**  trans-8399166.9-177.70000107.6I366 T370I366-V368 PolarHBondContact O-N 3.42Å; I366-V368 VanDerWaalsContact O-N 3.14Å; V368-T370 HydrophobicContact CG1-CG2 3.96Å; V368-T370 PolarHBondContact O-N 3.38Å
369L37.6Very low40.9Very low149 Ų149145.8 Ų145.878%0.7880%0.803SS**  trans-73.998.2164.5-76.2163000108.1P367 H371P367-L369 PolarHBondContact O-N 3.42Å; L369-H371 PolarHBondContact O-N 3.38Å
370T41.5Very low40.6Very low122 Ų122143.6 Ų143.675%0.74880%0.798SS**  trans-83.1104.4161.452.70000108.1V368V368-T370 HydrophobicContact CG1-CG2 3.96Å; V368-T370 PolarHBondContact O-N 3.38Å
371H31.8Very low40.6Very low170 Ų170145.8 Ų145.879%0.78780%0.797SS**  trans-77.4140162.2-91.9-68.9000109.8L369L369-H371 PolarHBondContact O-N 3.38Å
372P40.6Very low40.1Very low113 Ų113148.9 Ų148.973%0.73479%0.789SS**  trans-88.6132.6172.533.9-28000110.5
373E35.8Very low38.7Very low273 Ų273150.3 Ų150.3100%1.27680%0.798SS**  trans-136.80143.2-78.9-162150.600109

Retrieved 373 of 373 residues in 993.2 ms (Link to these results)