A0A077ZQE2_TRITR Loading...

Clp N and AAA 2 and AAA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZQE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 692 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
1M29.7Very low65.7Low247 Ų24788.4 Ų88.4100%1.21749%0.493SS*.  048.60-67.1-178.4-174.800110.9G3M1-G3 PolarHBondContact O-N 3.32Å
2G40.6Very low67.5Low72 Ų7283.8 Ų83.874%0.74247%0.467SS*.  trans-84.796.4165.200000106.5V4G2-V4 PolarHBondContact O-N 2.79Å
3G44.6Very low69.1Low53 Ų5380.2 Ų80.255%0.54644%0.443SS..  trans-59.9107.217200000107.3M1 M5M1-G3 PolarHBondContact O-N 3.32Å; G3-M5 PolarHBondContact O-N 2.85Å
4V48Very low70.9Confident135 Ų13574.4 Ų74.482%0.81841%0.411SS*.  trans-62.8109.4175.1179.60000106G2 R6G2-V4 PolarHBondContact O-N 2.79Å; V4-R6 PolarHBondContact O-N 3.15Å
5M62Low72.3Confident52 Ų5273.9 Ų73.926%0.25640%0.404SS..  trans-60118.7177.7-175.8-178.7-62.800108.7G3 L7 L95G3-M5 PolarHBondContact O-N 2.85Å; M5-L7 VanDerWaalsContact C-N 3.34Å; M5-L7 HydrophobicContact CG-CD2 4.24Å; M5-L7 PolarHBondContact O-N 3.03Å; M5-L7 HydrophobicContact SD-CD2 3.92Å; M5-L95 HydrophobicContact CE-CB 3.4Å; M5-L95 VanDerWaalsContact CE-CB 3.4Å; M5-L95 HydrophobicContact CE-CD1 3.22Å; M5-L95 HydrophobicContact CE-CG 3.88Å; M5-L95 HydrophobicContact SD-CB 4.23Å; M5-L95 HydrophobicContact SD-CD1 3.66Å; M5-L95 HydrophobicContact SD-CG 4.42Å
6R70Confident73.4Confident174 Ų17474.9 Ų74.966%0.65741%0.409SS*.  trans-78.784177.6-72.5-160.9-169.9-162.34.2109.6V4 D8 R9V4-R6 PolarHBondContact O-N 3.15Å; R6-D8 VanDerWaalsContact CA-OD1 3.23Å; R6-D8 WeakPolarHBondContact CA-OD1 3.45Å; R6-D8 WeakPolarHBondContact CB-OD1 3.38Å; R6-D8 PolarHBondContact O-N 3.39Å; R6-R9 HydrophobicContact CB-CB 4.46Å; R6-R9 HydrophobicContact CB-CG 4.08Å; R6-R9 WeakPolarHBondContact O-CB 3.22Å; R6-R9 PolarHBondContact O-N 2.83Å
7L74.4Confident74.7Confident88 Ų8870.5 Ų70.546%0.46139%0.385SS..G310 helixtrans-56-28.7178.3-66.4176.5000112.2M5 R9 L10 Q15 L18M5-L7 VanDerWaalsContact C-N 3.34Å; M5-L7 HydrophobicContact CG-CD2 4.24Å; M5-L7 PolarHBondContact O-N 3.03Å; M5-L7 HydrophobicContact SD-CD2 3.92Å; L7-R9 PolarHBondContact O-N 3.07Å; L7-L10 HydrophobicContact CD2-CD1 3.81Å; L7-L10 WeakPolarHBondContact O-CB 3.24Å; L7-L10 PolarHBondContact O-N 2.86Å; L7-Q15 PolarHBondContact O-NE2 3.12Å; L7-L18 HydrophobicContact CD2-CD2 3.41Å; L7-L18 VanDerWaalsContact CD2-CD2 3.41Å
8D80.5Confident75.8Confident94 Ų9468 Ų6850%0.50337%0.371SS..G310 helixtrans-61.2-21.7174.356.3-54.6000114R6 F109 Q156R6-D8 VanDerWaalsContact CA-OD1 3.23Å; R6-D8 WeakPolarHBondContact CA-OD1 3.45Å; R6-D8 WeakPolarHBondContact CB-OD1 3.38Å; R6-D8 PolarHBondContact O-N 3.39Å; D8-F109 WeakPolarHBondContact O-CE1 3.5Å; D8-Q156 PolarHBondContact O-NE2 3.32Å; D8-Q156 VanDerWaalsContact O-NE2 3.13Å
9R89.2Confident76.6Confident53 Ų5366.8 Ų66.820%0.237%0.371CS..G310 helixtrans-87.7-6.8174.2-66.3-164.872.2-157.8-2.7113.8R6 L7 D99 D107 N108 F109 I110R6-R9 HydrophobicContact CB-CB 4.46Å; R6-R9 HydrophobicContact CB-CG 4.08Å; R6-R9 WeakPolarHBondContact O-CB 3.22Å; R6-R9 PolarHBondContact O-N 2.83Å; L7-R9 PolarHBondContact O-N 3.07Å; R9-D99 IonicContact CZ-OD1 2.9Å; R9-D99 IonicContact NH1-OD1 2.94Å; R9-D99 PolarHBondContact NH1-OD1 3.46Å; R9-D99 IonicContact NH1-OD2 2.78Å; R9-D107 PolarHBondContact NH2-O 2.91Å; R9-N108 PolarHBondContact NE-O 3.42Å; R9-N108 PolarHBondContact NH2-O 2.69Å; R9-F109 CarbonylContact O-C 3.56Å; R9-F109 WeakPolarHBondContact O-CA 3.29Å; R9-F109 WeakPolarHBondContact O-CB 3.43Å; R9-F109 WeakPolarHBondContact O-CD1 3.39Å; R9-I110 PolarHBondContact O-N 3.16Å
10L92.2Very high77.6Confident4 Ų467.4 Ų67.42%0.02137%0.373CS..BIsolated β-bridgetrans-77.7145.8173.8-58.1-176.9000109.6L7 F14 Q15 L18 I110L7-L10 HydrophobicContact CD2-CD1 3.81Å; L7-L10 WeakPolarHBondContact O-CB 3.24Å; L7-L10 PolarHBondContact O-N 2.86Å; L10-F14 HydrophobicContact CB-CB 4.29Å; L10-F14 HydrophobicContact CD2-CD1 3.82Å; L10-F14 HydrophobicContact CD2-CE1 4.03Å; L10-F14 HydrophobicContact CD2-CG 4.35Å; L10-Q15 HydrophobicContact CB-CG 3.62Å; L10-Q15 HydrophobicContact CD1-CG 4.39Å; L10-Q15 PolarHBondContact O-NE2 2.94Å; L10-L18 HydrophobicContact CD1-CD2 4.2Å; L10-I110 HydrophobicContact CD2-CB 3.9Å; L10-I110 HydrophobicContact CD2-CD1 4.09Å; L10-I110 HydrophobicContact CD2-CG2 4.26Å
11T91.3Very high78.4Confident0 Ų064.1 Ų64.10%036%0.356CS..  trans-62.7158.2166.855.60000110.8K13 F14 Q15 F109 I110 V153 Q156 E159T11-K13 VanDerWaalsContact C-N 3.28Å; T11-K13 PolarHBondContact O-N 3.1Å; T11-F14 PolarHBondContact O-N 3.17Å; T11-F14 VanDerWaalsContact OG1-CB 3.27Å; T11-F14 WeakPolarHBondContact OG1-CB 3.49Å; T11-F14 PolarHBondContact OG1-N 3.48Å; T11-Q15 WeakPolarHBondContact O-CG 3.3Å; T11-Q15 PolarHBondContact O-N 2.72Å; T11-F109 HydrophobicContact CG2-CB 4.21Å; T11-I110 PolarHBondContact N-O 2.88Å; T11-I110 VanDerWaalsContact N-O 3.1Å; T11-I110 PolarHBondContact OG1-O 2.9Å; T11-V153 HydrophobicContact CG2-CG1 3.68Å; T11-Q156 CarbonylContact C-O 3.43Å; T11-Q156 WeakPolarHBondContact CA-O 3.42Å; T11-Q156 WeakPolarHBondContact CB-O 3.39Å; T11-E159 WeakPolarHBondContact CB-OE1 3.43Å; T11-E159 HydrophobicContact CG2-CG 4.39Å; T11-E159 PolarHBondContact OG1-OE1 2.9Å
12N88Confident81.5Confident34 Ų3456.5 Ų56.518%0.18232%0.317CS..Hα-helixtrans-56.5-42.4-179.3-71.4-18.7000112.2F14 Q15 L16 Q156N12-F14 PolarHBondContact O-N 3.19Å; N12-Q15 PolarHBondContact O-N 2.82Å; N12-L16 WeakPolarHBondContact O-CG 3.48Å; N12-L16 PolarHBondContact O-N 2.76Å; N12-Q156 PolarHBondContact N-O 2.94Å
13K87.6Confident84Confident36 Ų3656.7 Ų56.716%0.15731%0.307CS..Hα-helixtrans-62.2-41.6175.6-75.2-71.7-177.7179.70112.1T11 L16 A17 Q45 E46 E159 D160T11-K13 VanDerWaalsContact C-N 3.28Å; T11-K13 PolarHBondContact O-N 3.1Å; K13-L16 PolarHBondContact O-N 3.25Å; K13-A17 WeakPolarHBondContact O-CB 3.47Å; K13-A17 PolarHBondContact O-N 3.41Å; K13-Q45 HydrophobicContact CD-CG 4.37Å; K13-Q45 PolarHBondContact O-NE2 3.42Å; K13-E46 PolarHBondContact NZ-O 2.95Å; K13-E159 HydrophobicContact CB-CB 4.38Å; K13-E159 WeakPolarHBondContact CB-OE2 3.18Å; K13-E159 HydrophobicContact CG-CB 4.23Å; K13-D160 WeakPolarHBondContact CE-OD1 3.46Å
14F94.2Very high86.3Confident0 Ų056.7 Ų56.70%029%0.294CS..Hα-helixtrans-71.5-36.8179.6-160.9176.4000111.8L10 T11 N12 A17 L18 L38 L42 L95 I110 F115L10-F14 HydrophobicContact CB-CB 4.29Å; L10-F14 HydrophobicContact CD2-CD1 3.82Å; L10-F14 HydrophobicContact CD2-CE1 4.03Å; L10-F14 HydrophobicContact CD2-CG 4.35Å; T11-F14 PolarHBondContact O-N 3.17Å; T11-F14 VanDerWaalsContact OG1-CB 3.27Å; T11-F14 WeakPolarHBondContact OG1-CB 3.49Å; T11-F14 PolarHBondContact OG1-N 3.48Å; N12-F14 PolarHBondContact O-N 3.19Å; F14-A17 PolarHBondContact O-N 3.04Å; F14-L18 PolarHBondContact O-N 3.22Å; F14-L38 HydrophobicContact CD2-CD1 4.42Å; F14-L38 HydrophobicContact CE2-CD1 4Å; F14-L38 HydrophobicContact CE2-CD2 3.73Å; F14-L38 HydrophobicContact CE2-CG 4.21Å; F14-L38 HydrophobicContact CZ-CD2 4.3Å; F14-L42 HydrophobicContact CD2-CD2 4.48Å; F14-L42 HydrophobicContact CE2-CD1 4.4Å; F14-L95 HydrophobicContact CE1-CD2 4.29Å; F14-L95 HydrophobicContact CE2-CD2 4.1Å; F14-L95 HydrophobicContact CZ-CD2 3.49Å; F14-L95 VanDerWaalsContact CZ-CD2 3.49Å; F14-I110 HydrophobicContact CD1-CG2 4.17Å; F14-I110 WeakPolarHBondContact CD1-O 3.31Å; F14-I110 HydrophobicContact CE1-CG2 3.84Å; F14-F115 HydrophobicContact CE1-CB 4.39Å; F14-F115 HydrophobicContact CE2-CB 4.39Å; F14-F115 HydrophobicContact CE2-CD2 4.48Å; F14-F115 HydrophobicContact CZ-CB 3.79Å; F14-F115 AromaticContact CZ-CD2 3.99Å; F14-F115 HydrophobicContact CZ-CD2 3.99Å; F14-F115 HydrophobicContact CZ-CG 4.17Å
15Q92.3Very high88.5Confident66 Ų6650.3 Ų50.331%0.30826%0.255SS..Hα-helixtrans-59.9-46.3172.2-67.217923.800111.9L7 L10 T11 N12 L18 A19L7-Q15 PolarHBondContact O-NE2 3.12Å; L10-Q15 HydrophobicContact CB-CG 3.62Å; L10-Q15 HydrophobicContact CD1-CG 4.39Å; L10-Q15 PolarHBondContact O-NE2 2.94Å; T11-Q15 WeakPolarHBondContact O-CG 3.3Å; T11-Q15 PolarHBondContact O-N 2.72Å; N12-Q15 PolarHBondContact O-N 2.82Å; Q15-L18 PolarHBondContact O-N 3.25Å; Q15-A19 PolarHBondContact O-N 3.01Å; Q15-A19 VanDerWaalsContact O-N 3.08Å
16L90.6Very high89.8Confident90 Ų9050.7 Ų50.747%0.47126%0.258SS..Hα-helixtrans-60.7-46.1176.2-73.2170.5000111.5N12 K13 L18 A19 D20N12-L16 WeakPolarHBondContact O-CG 3.48Å; N12-L16 PolarHBondContact O-N 2.76Å; K13-L16 PolarHBondContact O-N 3.25Å; L16-L18 PolarHBondContact O-N 2.72Å; L16-A19 WeakPolarHBondContact O-CB 3.11Å; L16-A19 PolarHBondContact O-N 3.02Å; L16-A19 VanDerWaalsContact O-N 3.09Å; L16-D20 PolarHBondContact O-N 3.38Å
17A94.8Very high90.7Very high0 Ų045.5 Ų45.50%026%0.258CS..Hα-helixtrans-62.8-31.9178.500000112.7K13 F14 A21 L38 A41 L42K13-A17 WeakPolarHBondContact O-CB 3.47Å; K13-A17 PolarHBondContact O-N 3.41Å; F14-A17 PolarHBondContact O-N 3.04Å; A17-A21 VanDerWaalsContact O-CB 3.24Å; A17-A21 WeakPolarHBondContact O-CB 3.24Å; A17-A21 PolarHBondContact O-N 3.08Å; A17-L38 HydrophobicContact CB-CD1 4.06Å; A17-A41 HydrophobicContact CB-CB 4.33Å; A17-A41 VanDerWaalsContact O-CB 3.27Å; A17-A41 WeakPolarHBondContact O-CB 3.41Å; A17-L42 HydrophobicContact CB-CD2 3.42Å; A17-L42 VanDerWaalsContact CB-CD2 3.42Å; A17-L42 HydrophobicContact CB-CG 3.87Å
18L94.3Very high91.5Very high26 Ų2644.1 Ų44.114%0.13625%0.25CC..Hα-helixtrans-69.5-38.9174.2-168.870000112L7 L10 F14 Q15 L16 A21 Q22 L38 L95L7-L18 HydrophobicContact CD2-CD2 3.41Å; L7-L18 VanDerWaalsContact CD2-CD2 3.41Å; L10-L18 HydrophobicContact CD1-CD2 4.2Å; F14-L18 PolarHBondContact O-N 3.22Å; Q15-L18 PolarHBondContact O-N 3.25Å; L16-L18 PolarHBondContact O-N 2.72Å; L18-A21 PolarHBondContact O-N 2.96Å; L18-Q22 PolarHBondContact O-N 2.87Å; L18-L38 HydrophobicContact CB-CD1 4.49Å; L18-L38 HydrophobicContact CD1-CD1 4.32Å; L18-L38 HydrophobicContact CD1-CD2 4.18Å; L18-L95 HydrophobicContact CD1-CD1 4.28Å
19A92.1Very high91.9Very high46 Ų4642.9 Ų42.938%0.3824%0.243SC..Hα-helixtrans-65.3-44.317300000111.4Q15 L16 A21 Q22 S23Q15-A19 PolarHBondContact O-N 3.01Å; Q15-A19 VanDerWaalsContact O-N 3.08Å; L16-A19 WeakPolarHBondContact O-CB 3.11Å; L16-A19 PolarHBondContact O-N 3.02Å; L16-A19 VanDerWaalsContact O-N 3.09Å; A19-A21 VanDerWaalsContact C-N 3.3Å; A19-A21 PolarHBondContact O-N 3.3Å; A19-Q22 WeakPolarHBondContact O-CB 3.32Å; A19-Q22 PolarHBondContact O-N 2.99Å; A19-Q22 VanDerWaalsContact O-N 3.14Å; A19-S23 PolarHBondContact O-N 2.91Å; A19-S23 PolarHBondContact O-OG 3.27Å
20D94.8Very high92.1Very high77 Ų7740.6 Ų40.641%0.41224%0.235SC..Hα-helixtrans-63.4-37.7176.2-66.6-23.1000111.4L16 Q22 S23 L24 A41L16-D20 PolarHBondContact O-N 3.38Å; D20-Q22 VanDerWaalsContact C-N 3.33Å; D20-Q22 PolarHBondContact O-N 3.3Å; D20-S23 PolarHBondContact O-N 3.47Å; D20-L24 WeakPolarHBondContact O-CG 3.31Å; D20-L24 PolarHBondContact O-N 2.96Å; D20-A41 HydrophobicContact CB-CB 3.88Å
21A96.3Very high92Very high0 Ų044.6 Ų44.60%025%0.253CS..Hα-helixtrans-63.5-38.3174.200000112.5A17 L18 A19 L24 A25 I33 H37 L38 A41A17-A21 VanDerWaalsContact O-CB 3.24Å; A17-A21 WeakPolarHBondContact O-CB 3.24Å; A17-A21 PolarHBondContact O-N 3.08Å; L18-A21 PolarHBondContact O-N 2.96Å; A19-A21 VanDerWaalsContact C-N 3.3Å; A19-A21 PolarHBondContact O-N 3.3Å; A21-L24 PolarHBondContact O-N 3.44Å; A21-A25 PolarHBondContact O-N 3.17Å; A21-I33 HydrophobicContact CB-CG2 4.08Å; A21-H37 HydrophobicContact CB-CB 4.01Å; A21-L38 HydrophobicContact CB-CB 4.04Å; A21-L38 HydrophobicContact CB-CD1 4.15Å; A21-A41 HydrophobicContact CB-CB 4.23Å
22Q94Very high92.1Very high87 Ų8748.7 Ų48.741%0.40727%0.271SS..Hα-helixtrans-63-45.9172.7-178.3176.810.700110.9L18 A19 D20 L24 A25 L26 I33 V85L18-Q22 PolarHBondContact O-N 2.87Å; A19-Q22 WeakPolarHBondContact O-CB 3.32Å; A19-Q22 PolarHBondContact O-N 2.99Å; A19-Q22 VanDerWaalsContact O-N 3.14Å; D20-Q22 VanDerWaalsContact C-N 3.33Å; D20-Q22 PolarHBondContact O-N 3.3Å; Q22-L24 VanDerWaalsContact C-N 3.33Å; Q22-L24 PolarHBondContact O-N 3.26Å; Q22-A25 PolarHBondContact O-N 3.47Å; Q22-L26 HydrophobicContact CG-CD1 4.19Å; Q22-L26 WeakPolarHBondContact O-CG 3.43Å; Q22-L26 PolarHBondContact O-N 3.21Å; Q22-I33 HydrophobicContact CB-CD1 3.75Å; Q22-I33 HydrophobicContact CG-CD1 3.89Å; Q22-V85 HydrophobicContact CG-CG2 3.64Å
23S92.4Very high92.4Very high76 Ų7647.4 Ų47.453%0.53126%0.264SS..Hα-helixtrans-61.9-38.9175.7-64.50000112.6A19 D20 L26 G27A19-S23 PolarHBondContact O-N 2.91Å; A19-S23 PolarHBondContact O-OG 3.27Å; D20-S23 PolarHBondContact O-N 3.47Å; S23-L26 PolarHBondContact O-N 2.88Å; S23-G27 PolarHBondContact O-N 2.64Å
24L93.4Very high92.8Very high53 Ų5347.8 Ų47.828%0.27727%0.266SS..Hα-helixtrans-63.1-48174.6-75.8173.1000111.6D20 A21 Q22 L26 G27 H28 A41D20-L24 WeakPolarHBondContact O-CG 3.31Å; D20-L24 PolarHBondContact O-N 2.96Å; A21-L24 PolarHBondContact O-N 3.44Å; Q22-L24 VanDerWaalsContact C-N 3.33Å; Q22-L24 PolarHBondContact O-N 3.26Å; L24-L26 VanDerWaalsContact C-N 3.3Å; L24-L26 PolarHBondContact O-N 2.99Å; L24-G27 PolarHBondContact O-N 3.06Å; L24-H28 PolarHBondContact O-CD2 2.87Å; L24-H28 VanDerWaalsContact O-CD2 3.25Å; L24-H28 PolarHBondContact O-N 2.91Å; L24-H28 VanDerWaalsContact O-N 3.09Å; L24-A41 HydrophobicContact CD1-CB 4.25Å
25A93.4Very high93Very high0 Ų048.4 Ų48.40%027%0.27CS..Hα-helixtrans-60.1-42.1178.600000111.8A21 Q22 H28 D29 N30 I33A21-A25 PolarHBondContact O-N 3.17Å; Q22-A25 PolarHBondContact O-N 3.47Å; A25-H28 PolarHBondContact O-N 3.1Å; A25-D29 PolarHBondContact O-N 3.34Å; A25-N30 HydrophobicContact CB-CB 4.46Å; A25-N30 PolarHBondContact O-N 3.09Å; A25-I33 HydrophobicContact CB-CG1 4.16Å
26L90Very high93.2Very high61 Ų6145.6 Ų45.632%0.31926%0.258SS..Hα-helixtrans-63.2-45.6175-74.6167.8000112.5Q22 S23 L24 H28 D29 G83 V85Q22-L26 HydrophobicContact CG-CD1 4.19Å; Q22-L26 WeakPolarHBondContact O-CG 3.43Å; Q22-L26 PolarHBondContact O-N 3.21Å; S23-L26 PolarHBondContact O-N 2.88Å; L24-L26 VanDerWaalsContact C-N 3.3Å; L24-L26 PolarHBondContact O-N 2.99Å; L26-H28 PolarHBondContact O-N 3.05Å; L26-D29 PolarHBondContact O-N 2.73Å; L26-G83 WeakPolarHBondContact CD2-O 3.23Å; L26-V85 HydrophobicContact CD1-CG2 4.21Å; L26-V85 HydrophobicContact CD2-CB 4.3Å; L26-V85 HydrophobicContact CD2-CG1 3.51Å; L26-V85 HydrophobicContact CD2-CG2 3.94Å; L26-V85 HydrophobicContact CG-CB 4.49Å; L26-V85 HydrophobicContact CG-CG1 3.92Å; L26-V85 HydrophobicContact CG-CG2 3.74Å
27G89Confident93.6Very high64 Ų6441.3 Ų41.366%0.6624%0.235SC*.Hα-helixtrans-66.8-19.9-179.900000114.2S23 L24S23-G27 PolarHBondContact O-N 2.64Å; L24-G27 PolarHBondContact O-N 3.06Å
28H90.4Very high93.7Very high60 Ų6041.3 Ų41.328%0.27824%0.235SC..THydrogen-bonded Turntrans-101.88.9176.9-78.2-81.1000113.7L24 A25 L26 N30 Q77L24-H28 PolarHBondContact O-CD2 2.87Å; L24-H28 VanDerWaalsContact O-CD2 3.25Å; L24-H28 PolarHBondContact O-N 2.91Å; L24-H28 VanDerWaalsContact O-N 3.09Å; A25-H28 PolarHBondContact O-N 3.1Å; L26-H28 PolarHBondContact O-N 3.05Å; H28-N30 WeakPolarHBondContact CB-OD1 3.29Å; H28-N30 PolarHBondContact O-N 2.88Å; H28-Q77 WeakPolarHBondContact O-CG 3.15Å; H28-Q77 PolarHBondContact O-NE2 3.39Å
29D90.2Very high93.8Very high68 Ų6840.1 Ų40.136%0.36423%0.229SC..THydrogen-bonded Turntrans54.431.9-175.9-65.3-56.2000113.4A25 L26 Q77 V78A25-D29 PolarHBondContact O-N 3.34Å; L26-D29 PolarHBondContact O-N 2.73Å; D29-Q77 HydrophobicContact CB-CB 4.31Å; D29-Q77 CarbonylContact O-C 3.52Å; D29-Q77 WeakPolarHBondContact O-CA 3.39Å; D29-V78 PolarHBondContact O-N 2.89Å
30N92.4Very high94.1Very high5 Ų538.1 Ų38.13%0.02721%0.212CC..  trans-87.9123.8176.4-60.5132.1000110.2A25 H28 F32 H37 L75 P76 V85A25-N30 HydrophobicContact CB-CB 4.46Å; A25-N30 PolarHBondContact O-N 3.09Å; H28-N30 WeakPolarHBondContact CB-OD1 3.29Å; H28-N30 PolarHBondContact O-N 2.88Å; N30-F32 PolarHBondContact O-N 3.26Å; N30-F32 VanDerWaalsContact O-N 3.16Å; N30-H37 PolarHBondContact OD1-NE2 3Å; N30-H37 VanDerWaalsContact OD1-NE2 3.11Å; N30-L75 WeakPolarHBondContact ND2-CB 3.16Å; N30-P76 PolarHBondContact ND2-O 3.27Å; N30-V85 WeakPolarHBondContact O-CG1 3.36Å
31Q90.3Very high94.2Very high87 Ų8734.8 Ų34.841%0.40720%0.195SC..SBendtrans-62.1-25-179.2-171.7173.936.100113.6Q86Q31-Q86 PolarHBondContact O-N 3.03Å
32F94.2Very high94.2Very high87 Ų8734.8 Ų34.838%0.38220%0.195SC..EExtended strand (participates in β ladder)trans-124.9140.8-176.8-58.1-77.1000112.8N30 E34 H37 Q86N30-F32 PolarHBondContact O-N 3.26Å; N30-F32 VanDerWaalsContact O-N 3.16Å; F32-E34 PolarHBondContact O-N 3.02Å; F32-E34 VanDerWaalsContact O-N 3.14Å; F32-H37 PolarHBondContact O-CE1 2.85Å; F32-Q86 CarbonylContact C-O 3.57Å; F32-Q86 WeakPolarHBondContact CA-O 3.49Å
33I94.6Very high94.2Very high7 Ų730.8 Ų30.84%0.03618%0.177CC..EExtended strand (participates in β ladder)trans-77.2101.4167.7-44.5171.3000107.5A21 Q22 A25 H37 V85 Q86 S88 L91A21-I33 HydrophobicContact CB-CG2 4.08Å; Q22-I33 HydrophobicContact CB-CD1 3.75Å; Q22-I33 HydrophobicContact CG-CD1 3.89Å; A25-I33 HydrophobicContact CB-CG1 4.16Å; I33-H37 HydrophobicContact CG2-CB 4.25Å; I33-V85 HydrophobicContact CD1-CG2 4.13Å; I33-V85 HydrophobicContact CG1-CB 4.21Å; I33-V85 HydrophobicContact CG1-CG2 3.93Å; I33-Q86 PolarHBondContact N-O 2.86Å; I33-S88 PolarHBondContact O-N 2.92Å; I33-L91 HydrophobicContact CB-CD2 3.84Å; I33-L91 HydrophobicContact CG2-CD2 3.63Å; I33-L91 WeakPolarHBondContact O-CB 3.4Å; I33-L91 WeakPolarHBondContact O-CD2 3.45Å
34E96Very high94.2Very high43 Ų4330.6 Ų30.620%0.20117%0.17CC..  trans-81.6158.3174.1-63.6-60.8165.300114.1F32 L36 H37 L75 S88F32-E34 PolarHBondContact O-N 3.02Å; F32-E34 VanDerWaalsContact O-N 3.14Å; E34-L36 PolarHBondContact O-N 3.22Å; E34-L36 VanDerWaalsContact O-N 3.07Å; E34-H37 PolarHBondContact N-ND1 3.49Å; E34-H37 PolarHBondContact O-N 2.91Å; E34-H37 PolarHBondContact O-ND1 3.44Å; E34-L75 HydrophobicContact CB-CD1 4.2Å; E34-L75 HydrophobicContact CG-CD1 3.92Å; E34-L75 HydrophobicContact CG-CD2 4.15Å; E34-S88 VanDerWaalsContact CD-CB 3.43Å; E34-S88 WeakPolarHBondContact OE1-CB 3.44Å; E34-S88 WeakPolarHBondContact OE2-CB 3.28Å; E34-S88 PolarHBondContact OE2-OG 2.96Å
35P97.2Very high94Very high13 Ų1329.3 Ų29.38%0.08416%0.162CC..Hα-helixtrans-51.5-30.5170.9-25.833000114.1L38 M39 D90 L91 V94 F115 L126P35-L38 PolarHBondContact O-N 2.97Å; P35-M39 WeakPolarHBondContact O-CB 3.02Å; P35-M39 PolarHBondContact O-N 3.32Å; P35-D90 HydrophobicContact CG-CB 4.15Å; P35-L91 HydrophobicContact CG-CB 4.24Å; P35-V94 HydrophobicContact CG-CG2 4.37Å; P35-F115 HydrophobicContact CB-CZ 4.11Å; P35-L126 HydrophobicContact CB-CB 4.32Å; P35-L126 HydrophobicContact CB-CD2 3.64Å
36L97.6Very high93.3Very high8 Ų837.6 Ų37.64%0.04220%0.201CC..Hα-helixtrans-63-39.4177.3-69.9169.8000112.4E34 M39 S40 I68 A71 L72 L75 T125 L126 I129E34-L36 PolarHBondContact O-N 3.22Å; E34-L36 VanDerWaalsContact O-N 3.07Å; L36-M39 PolarHBondContact O-N 3.36Å; L36-S40 WeakPolarHBondContact O-CB 3.45Å; L36-S40 PolarHBondContact O-N 3.32Å; L36-I68 HydrophobicContact CD2-CG1 4.43Å; L36-I68 HydrophobicContact CD2-CG2 4.32Å; L36-A71 HydrophobicContact CD1-CB 3.76Å; L36-A71 HydrophobicContact CD2-CB 4.12Å; L36-L72 HydrophobicContact CB-CD2 3.57Å; L36-L72 HydrophobicContact CB-CG 4.09Å; L36-L75 HydrophobicContact CD1-CD2 4.44Å; L36-T125 HydrophobicContact CD1-CG2 4.33Å; L36-L126 HydrophobicContact CD2-CB 3.97Å; L36-L126 HydrophobicContact CD2-CD1 4.15Å; L36-L126 HydrophobicContact CG-CB 4.47Å; L36-I129 HydrophobicContact CD2-CD1 4.03Å
37H97.9Very high92.6Very high0 Ų036.9 Ų36.90%021%0.208CC..Hα-helixtrans-64.9-45.1177.7-56.9101.2000110.6A21 N30 F32 I33 E34 S40 A41 L72 L75A21-H37 HydrophobicContact CB-CB 4.01Å; N30-H37 PolarHBondContact OD1-NE2 3Å; N30-H37 VanDerWaalsContact OD1-NE2 3.11Å; F32-H37 PolarHBondContact O-CE1 2.85Å; I33-H37 HydrophobicContact CG2-CB 4.25Å; E34-H37 PolarHBondContact N-ND1 3.49Å; E34-H37 PolarHBondContact O-N 2.91Å; E34-H37 PolarHBondContact O-ND1 3.44Å; H37-S40 WeakPolarHBondContact O-CB 3.44Å; H37-S40 PolarHBondContact O-N 3.45Å; H37-A41 WeakPolarHBondContact O-CB 3.37Å; H37-A41 PolarHBondContact O-N 2.89Å; H37-L72 VanDerWaalsContact CD2-CD2 3.43Å; H37-L72 WeakPolarHBondContact CD2-CD2 3.41Å; H37-L75 VanDerWaalsContact CE1-CD1 3.5Å; H37-L75 WeakPolarHBondContact CE1-CD1 3.49Å
38L97.4Very high92.3Very high0 Ų034.2 Ų34.20%018%0.181CC..Hα-helixtrans-66.4-40.3179.1-178.156.8000112.1F14 A17 L18 A21 P35 S40 A41 L42 L91 L95 F115F14-L38 HydrophobicContact CD2-CD1 4.42Å; F14-L38 HydrophobicContact CE2-CD1 4Å; F14-L38 HydrophobicContact CE2-CD2 3.73Å; F14-L38 HydrophobicContact CE2-CG 4.21Å; F14-L38 HydrophobicContact CZ-CD2 4.3Å; A17-L38 HydrophobicContact CB-CD1 4.06Å; L18-L38 HydrophobicContact CB-CD1 4.49Å; L18-L38 HydrophobicContact CD1-CD1 4.32Å; L18-L38 HydrophobicContact CD1-CD2 4.18Å; A21-L38 HydrophobicContact CB-CB 4.04Å; A21-L38 HydrophobicContact CB-CD1 4.15Å; P35-L38 PolarHBondContact O-N 2.97Å; L38-S40 VanDerWaalsContact C-N 3.32Å; L38-S40 PolarHBondContact O-N 2.71Å; L38-A41 PolarHBondContact O-N 2.93Å; L38-L42 HydrophobicContact CD1-CD1 4.25Å; L38-L42 HydrophobicContact CD1-CG 4.19Å; L38-L42 HydrophobicContact CG-CD1 4.07Å; L38-L42 HydrophobicContact CG-CG 4.47Å; L38-L42 VanDerWaalsContact O-CB 3.3Å; L38-L42 WeakPolarHBondContact O-CB 3.34Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 3.36Å; L38-L91 HydrophobicContact CB-CD1 4.35Å; L38-L91 HydrophobicContact CD2-CD1 3.71Å; L38-L95 HydrophobicContact CD2-CD1 4.49Å; L38-L95 HydrophobicContact CD2-CD2 4.1Å; L38-F115 HydrophobicContact CB-CE1 4.23Å; L38-F115 HydrophobicContact CB-CE2 4.42Å; L38-F115 HydrophobicContact CB-CZ 3.89Å; L38-F115 HydrophobicContact CD2-CD1 4.49Å; L38-F115 HydrophobicContact CD2-CD2 3.62Å; L38-F115 HydrophobicContact CD2-CE1 4.19Å; L38-F115 HydrophobicContact CD2-CE2 3.26Å; L38-F115 HydrophobicContact CD2-CG 4.22Å; L38-F115 HydrophobicContact CD2-CZ 3.58Å; L38-F115 HydrophobicContact CG-CD1 4.39Å; L38-F115 HydrophobicContact CG-CD2 4.36Å; L38-F115 HydrophobicContact CG-CE1 4.02Å; L38-F115 HydrophobicContact CG-CE2 4.01Å; L38-F115 HydrophobicContact CG-CZ 3.82Å
39M97.3Very high92Very high0 Ų031.7 Ų31.70%017%0.17CC..Hα-helixtrans-63-40.2173.2-166.670.2-165.300111.7P35 L36 L42 L43 V50 L54 L64 I68 F115 V116 L126 L130P35-M39 WeakPolarHBondContact O-CB 3.02Å; P35-M39 PolarHBondContact O-N 3.32Å; L36-M39 PolarHBondContact O-N 3.36Å; M39-L42 PolarHBondContact O-N 3.17Å; M39-L43 HydrophobicContact CE-CD1 4.12Å; M39-L43 HydrophobicContact CE-CD2 4.21Å; M39-L43 HydrophobicContact CE-CG 3.94Å; M39-L43 HydrophobicContact CG-CD1 4.11Å; M39-L43 HydrophobicContact CG-CG 4.45Å; M39-L43 VanDerWaalsContact O-CB 3.32Å; M39-L43 WeakPolarHBondContact O-CB 3.23Å; M39-L43 WeakPolarHBondContact O-CG 3.3Å; M39-L43 PolarHBondContact O-N 3.29Å; M39-V50 HydrophobicContact CE-CG1 3.62Å; M39-V50 HydrophobicContact SD-CG1 4.49Å; M39-L54 HydrophobicContact CE-CD1 3.77Å; M39-L64 HydrophobicContact CE-CD2 4.23Å; M39-I68 HydrophobicContact CB-CD1 4.14Å; M39-I68 HydrophobicContact CG-CD1 3.49Å; M39-I68 VanDerWaalsContact CG-CD1 3.49Å; M39-F115 HydrophobicContact CB-CE1 4.1Å; M39-F115 HydrophobicContact SD-CD1 4.18Å; M39-F115 HydrophobicContact SD-CE1 4.21Å; M39-V116 HydrophobicContact CE-CG2 3.97Å; M39-V116 HydrophobicContact SD-CG2 4.2Å; M39-L126 HydrophobicContact CB-CD1 3.78Å; M39-L126 HydrophobicContact CB-CD2 3.96Å; M39-L126 HydrophobicContact CG-CD1 3.69Å; M39-L126 HydrophobicContact CG-CD2 4.44Å; M39-L126 HydrophobicContact SD-CD1 4.48Å; M39-L130 HydrophobicContact CE-CD2 4.14Å
40S97.3Very high92.1Very high5 Ų528.5 Ų28.54%0.03515%0.153CC..Hα-helixtrans-63.1-47176.5-173.70000111.6L36 H37 L38 L42 L43 N44L36-S40 WeakPolarHBondContact O-CB 3.45Å; L36-S40 PolarHBondContact O-N 3.32Å; H37-S40 WeakPolarHBondContact O-CB 3.44Å; H37-S40 PolarHBondContact O-N 3.45Å; L38-S40 VanDerWaalsContact C-N 3.32Å; L38-S40 PolarHBondContact O-N 2.71Å; S40-L42 PolarHBondContact O-N 3.38Å; S40-L43 PolarHBondContact O-N 2.99Å; S40-N44 WeakPolarHBondContact O-CB 3.43Å; S40-N44 PolarHBondContact O-N 3.14Å; S40-N44 PolarHBondContact O-ND2 3.39Å; S40-N44 PolarHBondContact OG-ND2 3.27Å
41A96.7Very high92Very high6 Ų629.7 Ų29.75%0.0516%0.161CC..Hα-helixtrans-57.8-48.7174.400000111.4A17 D20 A21 L24 H37 L38 L43 N44 Q45A17-A41 HydrophobicContact CB-CB 4.33Å; A17-A41 VanDerWaalsContact O-CB 3.27Å; A17-A41 WeakPolarHBondContact O-CB 3.41Å; D20-A41 HydrophobicContact CB-CB 3.88Å; A21-A41 HydrophobicContact CB-CB 4.23Å; L24-A41 HydrophobicContact CD1-CB 4.25Å; H37-A41 WeakPolarHBondContact O-CB 3.37Å; H37-A41 PolarHBondContact O-N 2.89Å; L38-A41 PolarHBondContact O-N 2.93Å; A41-L43 PolarHBondContact O-N 2.89Å; A41-N44 PolarHBondContact O-N 3.25Å; A41-Q45 WeakPolarHBondContact O-CB 3.5Å; A41-Q45 PolarHBondContact O-N 3.4Å
42L96.2Very high91.8Very high1 Ų128.4 Ų28.41%0.00516%0.161CC..Hα-helixtrans-62.5-37.3178.3-75.9174000113.7F14 A17 L38 M39 S40 V50 F115F14-L42 HydrophobicContact CD2-CD2 4.48Å; F14-L42 HydrophobicContact CE2-CD1 4.4Å; A17-L42 HydrophobicContact CB-CD2 3.42Å; A17-L42 VanDerWaalsContact CB-CD2 3.42Å; A17-L42 HydrophobicContact CB-CG 3.87Å; L38-L42 HydrophobicContact CD1-CD1 4.25Å; L38-L42 HydrophobicContact CD1-CG 4.19Å; L38-L42 HydrophobicContact CG-CD1 4.07Å; L38-L42 HydrophobicContact CG-CG 4.47Å; L38-L42 VanDerWaalsContact O-CB 3.3Å; L38-L42 WeakPolarHBondContact O-CB 3.34Å; L38-L42 WeakPolarHBondContact O-CG 3.34Å; L38-L42 PolarHBondContact O-N 3.36Å; M39-L42 PolarHBondContact O-N 3.17Å; S40-L42 PolarHBondContact O-N 3.38Å; L42-V50 HydrophobicContact CB-CB 4.19Å; L42-V50 HydrophobicContact CB-CG1 4.29Å; L42-V50 HydrophobicContact CB-CG2 3.98Å; L42-V50 HydrophobicContact CD1-CG2 4.3Å; L42-V50 HydrophobicContact CD2-CG2 4.19Å; L42-V50 HydrophobicContact CG-CG2 4.4Å; L42-F115 HydrophobicContact CD1-CB 3.92Å; L42-F115 HydrophobicContact CD1-CD1 3.47Å; L42-F115 VanDerWaalsContact CD1-CD1 3.47Å; L42-F115 HydrophobicContact CD1-CE1 4.22Å; L42-F115 HydrophobicContact CD1-CG 3.86Å
43L93.9Very high91.6Very high2 Ų224.2 Ų24.21%0.0114%0.143CC..Hα-helixtrans-69.6-34.4177.3-84.2171.1000112.9M39 S40 A41 V50 L54 L64 R65 I68M39-L43 HydrophobicContact CE-CD1 4.12Å; M39-L43 HydrophobicContact CE-CD2 4.21Å; M39-L43 HydrophobicContact CE-CG 3.94Å; M39-L43 HydrophobicContact CG-CD1 4.11Å; M39-L43 HydrophobicContact CG-CG 4.45Å; M39-L43 VanDerWaalsContact O-CB 3.32Å; M39-L43 WeakPolarHBondContact O-CB 3.23Å; M39-L43 WeakPolarHBondContact O-CG 3.3Å; M39-L43 PolarHBondContact O-N 3.29Å; S40-L43 PolarHBondContact O-N 2.99Å; A41-L43 PolarHBondContact O-N 2.89Å; L43-V50 HydrophobicContact CD2-CG1 4.27Å; L43-L54 HydrophobicContact CD2-CD1 3.38Å; L43-L54 HydrophobicContact CG-CD1 4.48Å; L43-L64 HydrophobicContact CD1-CD2 4.15Å; L43-L64 HydrophobicContact CD1-CG 4.21Å; L43-L64 HydrophobicContact CD2-CD2 4.37Å; L43-R65 HydrophobicContact CB-CG 4.15Å; L43-R65 HydrophobicContact CD1-CG 4.1Å; L43-R65 PolarHBondContact O-NE 2.9Å; L43-R65 PolarHBondContact O-NH2 2.96Å; L43-I68 HydrophobicContact CD1-CD1 3.33Å
44N92.1Very high91.5Very high72 Ų7223.9 Ų23.939%0.38514%0.141SC..Hα-helixtrans-95.9-5.5-175.8-64.8-44.8000113S40 A41 E46 R65S40-N44 WeakPolarHBondContact O-CB 3.43Å; S40-N44 PolarHBondContact O-N 3.14Å; S40-N44 PolarHBondContact O-ND2 3.39Å; S40-N44 PolarHBondContact OG-ND2 3.27Å; A41-N44 PolarHBondContact O-N 3.25Å; N44-E46 PolarHBondContact O-N 3.43Å; N44-R65 PolarHBondContact OD1-NE 2.86Å; N44-R65 PolarHBondContact OD1-NH1 3.36Å
45Q89.7Confident91.2Very high27 Ų2726.1 Ų26.113%0.12616%0.157CC..  trans-66.2121.1179.4-173.8176.867.900112.2K13 A41 G47 G48K13-Q45 HydrophobicContact CD-CG 4.37Å; K13-Q45 PolarHBondContact O-NE2 3.42Å; A41-Q45 WeakPolarHBondContact O-CB 3.5Å; A41-Q45 PolarHBondContact O-N 3.4Å; Q45-G47 PolarHBondContact O-N 3.48Å; Q45-G48 PolarHBondContact O-N 2.96Å
46E79.3Confident90.8Very high174 Ų17428.1 Ų28.181%0.81317%0.172SC*.THydrogen-bonded Turntrans-63.9131.7175.2-68.9-174.7171.700111.9K13 N44 G48K13-E46 PolarHBondContact NZ-O 2.95Å; N44-E46 PolarHBondContact O-N 3.43Å; E46-G48 PolarHBondContact O-N 3.26Å; E46-G48 VanDerWaalsContact O-N 3.12Å
47G74.4Confident90.5Very high46 Ų4628.5 Ų28.547%0.47418%0.176SC..THydrogen-bonded Turntrans649.4-173.700000114.7Q45 K167Q45-G47 PolarHBondContact O-N 3.48Å; G47-K167 PolarHBondContact O-NZ 3.2Å
48G83.7Confident90.2Very high8 Ų831.9 Ų31.98%0.08221%0.211CC..  trans-69.2154.8177.600000112.6Q45 E46 P52Q45-G48 PolarHBondContact O-N 2.96Å; E46-G48 PolarHBondContact O-N 3.26Å; E46-G48 VanDerWaalsContact O-N 3.12Å; G48-P52 WeakPolarHBondContact O-CD 3.36Å
49S84.3Confident90Very high7 Ų732.1 Ų32.15%0.04921%0.212CC..SBendtrans-84.2-18.3-174.876.70000113.8P52 L53S49-P52 WeakPolarHBondContact O-CD 3.39Å; S49-L53 VanDerWaalsContact O-CB 3.24Å; S49-L53 WeakPolarHBondContact O-CB 3.47Å; S49-L53 PolarHBondContact O-N 3.13Å
50V92Very high89.7Confident0 Ų037.3 Ų37.30%024%0.24CC..Hα-helixtrans-73.6-42.7-168.9170.40000113.4M39 L42 L43 L53 L54 V116M39-V50 HydrophobicContact CE-CG1 3.62Å; M39-V50 HydrophobicContact SD-CG1 4.49Å; L42-V50 HydrophobicContact CB-CB 4.19Å; L42-V50 HydrophobicContact CB-CG1 4.29Å; L42-V50 HydrophobicContact CB-CG2 3.98Å; L42-V50 HydrophobicContact CD1-CG2 4.3Å; L42-V50 HydrophobicContact CD2-CG2 4.19Å; L42-V50 HydrophobicContact CG-CG2 4.4Å; L43-V50 HydrophobicContact CD2-CG1 4.27Å; V50-L53 WeakPolarHBondContact O-CB 3.47Å; V50-L53 PolarHBondContact O-N 3.07Å; V50-L54 HydrophobicContact CG1-CD1 3.94Å; V50-L54 HydrophobicContact CG1-CG 4.47Å; V50-L54 VanDerWaalsContact O-CG 3.28Å; V50-L54 WeakPolarHBondContact O-CG 3.08Å; V50-L54 PolarHBondContact O-N 3.04Å; V50-V116 HydrophobicContact CG1-CG2 3.72Å; V50-V116 HydrophobicContact CG2-CG2 4.11Å
51S89.2Confident89.2Confident30 Ų3037.6 Ų37.621%0.2124%0.242CC..Hα-helixtrans-64.3-48.2176.8-170.50000112.2L53 L54 T55S51-L53 VanDerWaalsContact C-N 3.29Å; S51-L53 PolarHBondContact O-N 3.31Å; S51-L54 PolarHBondContact O-N 3.31Å; S51-T55 PolarHBondContact O-N 3.02Å; S51-T55 PolarHBondContact O-OG1 3.01Å
52P86Confident88.9Confident60 Ų6039.2 Ų39.239%0.3926%0.26SS..Hα-helixtrans-57.9-39.1173.2-25.935000113.5G48 S49 T55 S56 M147G48-P52 WeakPolarHBondContact O-CD 3.36Å; S49-P52 WeakPolarHBondContact O-CD 3.39Å; P52-T55 PolarHBondContact O-N 3.32Å; P52-S56 WeakPolarHBondContact O-CB 3.37Å; P52-S56 PolarHBondContact O-N 3.09Å; P52-M147 HydrophobicContact CB-SD 4.46Å
53L91Very high88.7Confident0 Ų044 Ų440%028%0.282CS..Hα-helixtrans-58.6-49.2176.6179.777.6000111.8S49 V50 S51 S56 A57 E113 V116 I140 A143 I144 M147S49-L53 VanDerWaalsContact O-CB 3.24Å; S49-L53 WeakPolarHBondContact O-CB 3.47Å; S49-L53 PolarHBondContact O-N 3.13Å; V50-L53 WeakPolarHBondContact O-CB 3.47Å; V50-L53 PolarHBondContact O-N 3.07Å; S51-L53 VanDerWaalsContact C-N 3.29Å; S51-L53 PolarHBondContact O-N 3.31Å; L53-S56 PolarHBondContact O-N 2.91Å; L53-A57 WeakPolarHBondContact O-CB 3.44Å; L53-A57 PolarHBondContact O-N 2.85Å; L53-E113 HydrophobicContact CD2-CB 3.75Å; L53-V116 HydrophobicContact CD2-CB 4.27Å; L53-V116 HydrophobicContact CD2-CG2 4.16Å; L53-I140 HydrophobicContact CD2-CG2 4.29Å; L53-A143 VanDerWaalsContact CD1-C 3.48Å; L53-A143 HydrophobicContact CD1-CB 3.62Å; L53-A143 HydrophobicContact CG-CB 4.32Å; L53-I144 HydrophobicContact CD1-CB 4.26Å; L53-I144 HydrophobicContact CD1-CG1 3.53Å; L53-I144 HydrophobicContact CD2-CG1 4.14Å; L53-I144 HydrophobicContact CG-CG1 4.45Å; L53-M147 WeakPolarHBondContact CA-SD 3.48Å; L53-M147 HydrophobicContact CB-CE 4.22Å; L53-M147 HydrophobicContact CB-SD 3.62Å; L53-M147 HydrophobicContact CD1-CE 4.41Å; L53-M147 HydrophobicContact CD1-SD 3.72Å; L53-M147 HydrophobicContact CG-SD 4.32Å; L53-M147 PolarHBondContact N-SD 2.76Å
54L93.3Very high88.7Confident0 Ų043.9 Ų43.90%028%0.282CS..Hα-helixtrans-64.4-42.4-179.7-69.1166.4000111.2M39 L43 V50 S51 S56 A57 G58 I59 L64 V116 L130 I140M39-L54 HydrophobicContact CE-CD1 3.77Å; L43-L54 HydrophobicContact CD2-CD1 3.38Å; L43-L54 HydrophobicContact CG-CD1 4.48Å; V50-L54 HydrophobicContact CG1-CD1 3.94Å; V50-L54 HydrophobicContact CG1-CG 4.47Å; V50-L54 VanDerWaalsContact O-CG 3.28Å; V50-L54 WeakPolarHBondContact O-CG 3.08Å; V50-L54 PolarHBondContact O-N 3.04Å; S51-L54 PolarHBondContact O-N 3.31Å; L54-S56 VanDerWaalsContact C-N 3.34Å; L54-S56 PolarHBondContact O-N 2.96Å; L54-A57 CarbonylContact O-C 3.24Å; L54-A57 PolarHBondContact O-N 3Å; L54-A57 VanDerWaalsContact O-N 3.14Å; L54-G58 PolarHBondContact O-N 3.31Å; L54-I59 HydrophobicContact CB-CB 4.18Å; L54-I59 HydrophobicContact CB-CG2 4.48Å; L54-I59 HydrophobicContact CD2-CB 4.41Å; L54-I59 HydrophobicContact CD2-CD1 3.56Å; L54-I59 HydrophobicContact CD2-CG2 4.37Å; L54-I59 WeakPolarHBondContact O-CB 3.4Å; L54-I59 PolarHBondContact O-N 3.29Å; L54-L64 HydrophobicContact CD1-CD2 3.57Å; L54-L64 HydrophobicContact CD2-CD2 4.25Å; L54-V116 HydrophobicContact CD2-CG1 4.02Å; L54-L130 HydrophobicContact CD2-CD2 4.47Å; L54-I140 HydrophobicContact CD2-CD1 4.11Å
55T89.6Confident88.8Confident89 Ų8944.9 Ų44.955%0.54628%0.28SS..Hα-helixtrans-60.6-43.5174.1-57.10000111.6S51 P52 A57 G58S51-T55 PolarHBondContact O-N 3.02Å; S51-T55 PolarHBondContact O-OG1 3.01Å; P52-T55 PolarHBondContact O-N 3.32Å; T55-A57 PolarHBondContact O-N 3.02Å; T55-G58 PolarHBondContact O-N 3.21Å
56S87.3Confident89Confident55 Ų5546.6 Ų46.639%0.38529%0.293SS..Hα-helixtrans-63.8-29.3176-168.90000112.8P52 L53 L54 G58 Q146P52-S56 WeakPolarHBondContact O-CB 3.37Å; P52-S56 PolarHBondContact O-N 3.09Å; L53-S56 PolarHBondContact O-N 2.91Å; L54-S56 VanDerWaalsContact C-N 3.34Å; L54-S56 PolarHBondContact O-N 2.96Å; S56-G58 VanDerWaalsContact C-N 3.25Å; S56-G58 PolarHBondContact O-N 3.18Å; S56-Q146 PolarHBondContact OG-OE1 3.21Å
57A92.9Very high89.8Confident16 Ų1640.4 Ų40.413%0.13227%0.265CS..THydrogen-bonded Turntrans-82.82.5174.200000113.7L53 L54 T55 I59 N139 I140 A143L53-A57 WeakPolarHBondContact O-CB 3.44Å; L53-A57 PolarHBondContact O-N 2.85Å; L54-A57 CarbonylContact O-C 3.24Å; L54-A57 PolarHBondContact O-N 3Å; L54-A57 VanDerWaalsContact O-N 3.14Å; T55-A57 PolarHBondContact O-N 3.02Å; A57-I59 HydrophobicContact CB-CD1 3.97Å; A57-I59 HydrophobicContact CB-CG1 4.46Å; A57-N139 HydrophobicContact CB-CB 4.37Å; A57-N139 PolarHBondContact O-ND2 3.49Å; A57-I140 HydrophobicContact CB-CD1 3.7Å; A57-A143 HydrophobicContact CB-CB 3.97Å
58G90.8Very high90.9Very high71 Ų7138.3 Ų38.373%0.73224%0.243SC*.THydrogen-bonded Turntrans81.215.818000000114.8L54 T55 S56L54-G58 PolarHBondContact O-N 3.31Å; T55-G58 PolarHBondContact O-N 3.21Å; S56-G58 VanDerWaalsContact C-N 3.25Å; S56-G58 PolarHBondContact O-N 3.18Å
59I93.7Very high91.4Very high6 Ų641.2 Ų41.23%0.03126%0.256CS..  trans-95.2133.2-177.5-60155.1000109.7L54 A57 A61 L64 A133 A135 I140L54-I59 HydrophobicContact CB-CB 4.18Å; L54-I59 HydrophobicContact CB-CG2 4.48Å; L54-I59 HydrophobicContact CD2-CB 4.41Å; L54-I59 HydrophobicContact CD2-CD1 3.56Å; L54-I59 HydrophobicContact CD2-CG2 4.37Å; L54-I59 WeakPolarHBondContact O-CB 3.4Å; L54-I59 PolarHBondContact O-N 3.29Å; A57-I59 HydrophobicContact CB-CD1 3.97Å; A57-I59 HydrophobicContact CB-CG1 4.46Å; I59-A61 PolarHBondContact O-N 3.23Å; I59-L64 HydrophobicContact CG2-CD2 4.36Å; I59-A133 HydrophobicContact CG2-CB 3.99Å; I59-A135 HydrophobicContact CD1-CB 3.42Å; I59-A135 VanDerWaalsContact CD1-CB 3.42Å; I59-A135 HydrophobicContact CG1-CB 4.31Å; I59-I140 HydrophobicContact CD1-CD1 3.64Å
60N90.8Very high92Very high109 Ų10945.4 Ų45.458%0.58328%0.275SS*.  trans-74.797.7175.3-173.2-28.9000110.5G62 Q63 L64N60-G62 PolarHBondContact O-N 3.13Å; N60-G62 WeakPolarHBondContact OD1-CA 3.38Å; N60-G62 PolarHBondContact OD1-N 3.15Å; N60-Q63 HydrophobicContact CB-CB 4.2Å; N60-Q63 PolarHBondContact O-N 3.03Å; N60-Q63 PolarHBondContact OD1-N 2.75Å; N60-Q63 VanDerWaalsContact OD1-N 3.08Å; N60-L64 WeakPolarHBondContact O-CB 3.39Å; N60-L64 PolarHBondContact O-N 2.98Å
61A87.2Confident92.1Very high10 Ų1046 Ų468%0.08328%0.28CS..Hα-helixtrans-59.1-31.9179.400000113.2I59 L64 R65I59-A61 PolarHBondContact O-N 3.23Å; A61-L64 PolarHBondContact O-N 3.18Å; A61-R65 VanDerWaalsContact O-CG 3.31Å; A61-R65 WeakPolarHBondContact O-CG 3.47Å; A61-R65 PolarHBondContact O-N 3.13Å
62G89.6Confident92.4Very high41 Ų4144.8 Ų44.842%0.42327%0.271SS..Hα-helixtrans-68.7-45.6178.600000112.9N60 L64 R65 T66N60-G62 PolarHBondContact O-N 3.13Å; N60-G62 WeakPolarHBondContact OD1-CA 3.38Å; N60-G62 PolarHBondContact OD1-N 3.15Å; G62-L64 VanDerWaalsContact C-N 3.34Å; G62-R65 PolarHBondContact O-N 2.9Å; G62-T66 PolarHBondContact O-N 3.03Å; G62-T66 PolarHBondContact O-OG1 2.98Å
63Q91.4Very high92.8Very high100 Ų10047.3 Ų47.347%0.46728%0.281SS..Hα-helixtrans-63.8-43.7173.6-174.759.147.700110.7N60 R65 T66 D67N60-Q63 HydrophobicContact CB-CB 4.2Å; N60-Q63 PolarHBondContact O-N 3.03Å; N60-Q63 PolarHBondContact OD1-N 2.75Å; N60-Q63 VanDerWaalsContact OD1-N 3.08Å; Q63-R65 VanDerWaalsContact C-N 3.31Å; Q63-R65 PolarHBondContact O-N 3.38Å; Q63-T66 WeakPolarHBondContact O-CA 3.41Å; Q63-T66 WeakPolarHBondContact O-CB 3.22Å; Q63-T66 PolarHBondContact O-N 3.44Å; Q63-D67 PolarHBondContact NE2-OD1 2.87Å; Q63-D67 PolarHBondContact O-N 3.48Å
64L93.6Very high92.9Very high1 Ų156.7 Ų56.71%0.00532%0.317CS..Hα-helixtrans-60.1-39.3179.3-174.966.9000112.6M39 L43 L54 I59 N60 A61 G62 T66 D67 I68 I129 L130 A133M39-L64 HydrophobicContact CE-CD2 4.23Å; L43-L64 HydrophobicContact CD1-CD2 4.15Å; L43-L64 HydrophobicContact CD1-CG 4.21Å; L43-L64 HydrophobicContact CD2-CD2 4.37Å; L54-L64 HydrophobicContact CD1-CD2 3.57Å; L54-L64 HydrophobicContact CD2-CD2 4.25Å; I59-L64 HydrophobicContact CG2-CD2 4.36Å; N60-L64 WeakPolarHBondContact O-CB 3.39Å; N60-L64 PolarHBondContact O-N 2.98Å; A61-L64 PolarHBondContact O-N 3.18Å; G62-L64 VanDerWaalsContact C-N 3.34Å; L64-T66 VanDerWaalsContact C-N 3.32Å; L64-T66 PolarHBondContact O-N 3.43Å; L64-D67 PolarHBondContact O-N 3.1Å; L64-I68 HydrophobicContact CD1-CD1 4.14Å; L64-I68 HydrophobicContact CD1-CG1 4.48Å; L64-I68 HydrophobicContact CD2-CD1 4.45Å; L64-I68 HydrophobicContact CG-CD1 3.84Å; L64-I68 WeakPolarHBondContact O-CB 3.48Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.21Å; L64-I129 HydrophobicContact CD1-CG2 3.57Å; L64-L130 HydrophobicContact CD1-CD2 4.14Å; L64-L130 HydrophobicContact CD2-CD2 3.88Å; L64-A133 HydrophobicContact CD1-CB 3.98Å
65R94.2Very high92.9Very high92 Ų9258.4 Ų58.435%0.34733%0.326SS..Hα-helixtrans-58.6-44172.8-77.5176.3-176.1-160.13.7111.5L43 N44 A61 G62 Q63 N69L43-R65 HydrophobicContact CB-CG 4.15Å; L43-R65 HydrophobicContact CD1-CG 4.1Å; L43-R65 PolarHBondContact O-NE 2.9Å; L43-R65 PolarHBondContact O-NH2 2.96Å; N44-R65 PolarHBondContact OD1-NE 2.86Å; N44-R65 PolarHBondContact OD1-NH1 3.36Å; A61-R65 VanDerWaalsContact O-CG 3.31Å; A61-R65 WeakPolarHBondContact O-CG 3.47Å; A61-R65 PolarHBondContact O-N 3.13Å; G62-R65 PolarHBondContact O-N 2.9Å; Q63-R65 VanDerWaalsContact C-N 3.31Å; Q63-R65 PolarHBondContact O-N 3.38Å; R65-N69 WeakPolarHBondContact O-CB 3.33Å; R65-N69 VanDerWaalsContact O-CG 3.24Å; R65-N69 PolarHBondContact O-N 2.88Å; R65-N69 PolarHBondContact O-ND2 3.16Å
66T95.1Very high92.9Very high64 Ų6459.2 Ų59.239%0.39333%0.332SS..Hα-helixtrans-61.7-47.5177.6-56.40000111.2G62 Q63 L64 I68 N69 Q70G62-T66 PolarHBondContact O-N 3.03Å; G62-T66 PolarHBondContact O-OG1 2.98Å; Q63-T66 WeakPolarHBondContact O-CA 3.41Å; Q63-T66 WeakPolarHBondContact O-CB 3.22Å; Q63-T66 PolarHBondContact O-N 3.44Å; L64-T66 VanDerWaalsContact C-N 3.32Å; L64-T66 PolarHBondContact O-N 3.43Å; T66-I68 PolarHBondContact O-N 3.47Å; T66-N69 PolarHBondContact O-N 2.9Å; T66-Q70 WeakPolarHBondContact O-CG 3.5Å; T66-Q70 PolarHBondContact O-N 3.09Å
67D96.4Very high93Very high44 Ų4462.1 Ų62.124%0.23534%0.34CS..Hα-helixtrans-65.8-39.6-177.6-61.3-18.9000111.9Q63 L64 Q70 A71 I129Q63-D67 PolarHBondContact NE2-OD1 2.87Å; Q63-D67 PolarHBondContact O-N 3.48Å; L64-D67 PolarHBondContact O-N 3.1Å; D67-Q70 PolarHBondContact O-N 2.75Å; D67-A71 WeakPolarHBondContact O-CB 3.37Å; D67-A71 PolarHBondContact O-N 3.11Å; D67-I129 HydrophobicContact CB-CG2 3.87Å
68I96.4Very high92.6Very high1 Ų164 Ų641%0.00535%0.35CS..Hα-helixtrans-65.6-44.6174.8-71.2165.4000110.9L36 M39 L43 L64 T66 Q70 A71 L72 L126 I129L36-I68 HydrophobicContact CD2-CG1 4.43Å; L36-I68 HydrophobicContact CD2-CG2 4.32Å; M39-I68 HydrophobicContact CB-CD1 4.14Å; M39-I68 HydrophobicContact CG-CD1 3.49Å; M39-I68 VanDerWaalsContact CG-CD1 3.49Å; L43-I68 HydrophobicContact CD1-CD1 3.33Å; L64-I68 HydrophobicContact CD1-CD1 4.14Å; L64-I68 HydrophobicContact CD1-CG1 4.48Å; L64-I68 HydrophobicContact CD2-CD1 4.45Å; L64-I68 HydrophobicContact CG-CD1 3.84Å; L64-I68 WeakPolarHBondContact O-CB 3.48Å; L64-I68 WeakPolarHBondContact O-CG1 3.32Å; L64-I68 PolarHBondContact O-N 3.21Å; T66-I68 PolarHBondContact O-N 3.47Å; I68-Q70 VanDerWaalsContact C-N 3.31Å; I68-Q70 PolarHBondContact O-N 3.09Å; I68-A71 PolarHBondContact O-N 3.16Å; I68-A71 VanDerWaalsContact O-N 3.11Å; I68-L72 HydrophobicContact CG2-CD1 4.1Å; I68-L72 HydrophobicContact CG2-CG 4.34Å; I68-L72 WeakPolarHBondContact O-CG 3.33Å; I68-L72 PolarHBondContact O-N 2.89Å; I68-L126 HydrophobicContact CD1-CD1 4.34Å; I68-I129 HydrophobicContact CG1-CG2 4.23Å
69N95.1Very high91.9Very high69 Ų6968.4 Ų68.437%0.36935%0.351SS..Hα-helixtrans-62.3-39.1177.2-75.3-17.1000111.9R65 T66 A71 L72 N73R65-N69 WeakPolarHBondContact O-CB 3.33Å; R65-N69 VanDerWaalsContact O-CG 3.24Å; R65-N69 PolarHBondContact O-N 2.88Å; R65-N69 PolarHBondContact O-ND2 3.16Å; T66-N69 PolarHBondContact O-N 2.9Å; N69-A71 VanDerWaalsContact C-N 3.32Å; N69-A71 PolarHBondContact O-N 3.38Å; N69-L72 PolarHBondContact O-N 3.32Å; N69-N73 VanDerWaalsContact O-CG 3.27Å; N69-N73 PolarHBondContact O-N 3.08Å; N69-N73 PolarHBondContact O-ND2 3.11Å
70Q95.8Very high90.8Very high96 Ų9672.1 Ų72.145%0.44939%0.391SS..Hα-helixtrans-63.7-38173.1-72.4-179.213.400112.4T66 D67 I68 R74T66-Q70 WeakPolarHBondContact O-CG 3.5Å; T66-Q70 PolarHBondContact O-N 3.09Å; D67-Q70 PolarHBondContact O-N 2.75Å; I68-Q70 VanDerWaalsContact C-N 3.31Å; I68-Q70 PolarHBondContact O-N 3.09Å; Q70-R74 WeakPolarHBondContact O-CG 3.3Å
71A95Very high89.4Confident12 Ų1269.6 Ų69.610%0.09938%0.38CS..Hα-helixtrans-70.6-37.7176.900000112.4L36 D67 I68 N69 R74 T125 I129L36-A71 HydrophobicContact CD1-CB 3.76Å; L36-A71 HydrophobicContact CD2-CB 4.12Å; D67-A71 WeakPolarHBondContact O-CB 3.37Å; D67-A71 PolarHBondContact O-N 3.11Å; I68-A71 PolarHBondContact O-N 3.16Å; I68-A71 VanDerWaalsContact O-N 3.11Å; N69-A71 VanDerWaalsContact C-N 3.32Å; N69-A71 PolarHBondContact O-N 3.38Å; A71-R74 PolarHBondContact O-N 3.36Å; A71-T125 HydrophobicContact CB-CG2 4.22Å; A71-I129 HydrophobicContact CB-CD1 3.57Å
72L95.1Very high88.2Confident4 Ų472.9 Ų72.92%0.02141%0.414CS..Hα-helixtrans-59.5-46.1172.5-75.9173.3000111.3L36 H37 I68 N69 R74 L75L36-L72 HydrophobicContact CB-CD2 3.57Å; L36-L72 HydrophobicContact CB-CG 4.09Å; H37-L72 VanDerWaalsContact CD2-CD2 3.43Å; H37-L72 WeakPolarHBondContact CD2-CD2 3.41Å; I68-L72 HydrophobicContact CG2-CD1 4.1Å; I68-L72 HydrophobicContact CG2-CG 4.34Å; I68-L72 WeakPolarHBondContact O-CG 3.33Å; I68-L72 PolarHBondContact O-N 2.89Å; N69-L72 PolarHBondContact O-N 3.32Å; L72-R74 PolarHBondContact O-N 3.47Å; L72-L75 HydrophobicContact CD2-CD1 3.81Å; L72-L75 WeakPolarHBondContact O-CB 3.19Å; L72-L75 PolarHBondContact O-N 2.87Å
73N93.7Very high87.3Confident113 Ų11373 Ų7360%0.60442%0.415SS*.THydrogen-bonded Turntrans-63.8-12.3177.7-69.7-17.5000114.3N69N69-N73 VanDerWaalsContact O-CG 3.27Å; N69-N73 PolarHBondContact O-N 3.08Å; N69-N73 PolarHBondContact O-ND2 3.11Å
74R94.3Very high86.7Confident198 Ų19874.7 Ų74.775%0.74743%0.428SS*.THydrogen-bonded Turntrans-97-5.9176-67.3173.6-173.7175.85.3112.8Q70 A71 L72Q70-R74 WeakPolarHBondContact O-CG 3.3Å; A71-R74 PolarHBondContact O-N 3.36Å; L72-R74 PolarHBondContact O-N 3.47Å
75L93.6Very high86.4Confident35 Ų3575.4 Ų75.418%0.18343%0.432CS..SBendtrans-67.6143.8176.7-67.2178.2000110.2N30 E34 L36 H37 L72 Q77N30-L75 WeakPolarHBondContact ND2-CB 3.16Å; E34-L75 HydrophobicContact CB-CD1 4.2Å; E34-L75 HydrophobicContact CG-CD1 3.92Å; E34-L75 HydrophobicContact CG-CD2 4.15Å; L36-L75 HydrophobicContact CD1-CD2 4.44Å; H37-L75 VanDerWaalsContact CE1-CD1 3.5Å; H37-L75 WeakPolarHBondContact CE1-CD1 3.49Å; L72-L75 HydrophobicContact CD2-CD1 3.81Å; L72-L75 WeakPolarHBondContact O-CB 3.19Å; L72-L75 PolarHBondContact O-N 2.87Å; L75-Q77 PolarHBondContact O-N 2.91Å
76P89.4Confident86.2Confident106 Ų10677.4 Ų77.469%0.68845%0.445SS*.  trans-58134174.9-22.833.1000111.7N30N30-P76 PolarHBondContact ND2-O 3.27Å
77Q89.3Confident86.1Confident117 Ų11777.5 Ų77.555%0.54745%0.447SS..  trans-104.8136.4175.1-59.7-173.7-50.400109.5H28 D29 L75H28-Q77 WeakPolarHBondContact O-CG 3.15Å; H28-Q77 PolarHBondContact O-NE2 3.39Å; D29-Q77 HydrophobicContact CB-CB 4.31Å; D29-Q77 CarbonylContact O-C 3.52Å; D29-Q77 WeakPolarHBondContact O-CA 3.39Å; L75-Q77 PolarHBondContact O-N 2.91Å
78V83.9Confident85.9Confident56 Ų5675.7 Ų75.734%0.33944%0.438SS..  trans-130.792.3179.3-174.10000109D29 T81D29-V78 PolarHBondContact O-N 2.89Å; V78-T81 HydrophobicContact CG1-CG2 3.93Å; V78-T81 PolarHBondContact O-OG1 3.47Å
79E77.1Confident85.7Confident162 Ų16283.9 Ų83.976%0.75748%0.476SS*.THydrogen-bonded Turntrans-63.8150.8173.6-65.1-179.1-174.900111.7
80G70Confident85.6Confident84 Ų8483.4 Ų83.487%0.86647%0.474SS*.THydrogen-bonded Turntrans83.76.1173.500000115.7
81T60.7Low85.5Confident57 Ų5778.9 Ų78.935%0.3545%0.452SS..  trans-78.1137.9166.551.80000110V78 G83V78-T81 HydrophobicContact CG1-CG2 3.93Å; V78-T81 PolarHBondContact O-OG1 3.47Å; T81-G83 PolarHBondContact O-N 3.33Å
82G62.7Low85.4Confident78 Ų7880.6 Ų80.680%0.80446%0.462SS*.  trans-73.138.5-168.100000116.2D84G82-D84 PolarHBondContact O-N 3.02Å
83G70.6Confident85.3Confident43 Ų4385.4 Ų85.444%0.44348%0.48SS..SBendtrans73.19.8-178.800000114.7L26 T81L26-G83 WeakPolarHBondContact CD2-O 3.23Å; T81-G83 PolarHBondContact O-N 3.33Å
84D79.7Confident85.3Confident136 Ų13680.2 Ų80.273%0.72745%0.452SS*.  trans-93.1113.5175.1-79.2-28.6000110.3G82G82-D84 PolarHBondContact O-N 3.02Å
85V86.2Confident85.3Confident16 Ų1671.1 Ų71.110%0.09742%0.418CS..  trans-115.6144170.9-68.70000110.2Q22 L26 N30 I33Q22-V85 HydrophobicContact CG-CG2 3.64Å; L26-V85 HydrophobicContact CD1-CG2 4.21Å; L26-V85 HydrophobicContact CD2-CB 4.3Å; L26-V85 HydrophobicContact CD2-CG1 3.51Å; L26-V85 HydrophobicContact CD2-CG2 3.94Å; L26-V85 HydrophobicContact CG-CB 4.49Å; L26-V85 HydrophobicContact CG-CG1 3.92Å; L26-V85 HydrophobicContact CG-CG2 3.74Å; N30-V85 WeakPolarHBondContact O-CG1 3.36Å; I33-V85 HydrophobicContact CD1-CG2 4.13Å; I33-V85 HydrophobicContact CG1-CB 4.21Å; I33-V85 HydrophobicContact CG1-CG2 3.93Å
86Q90.4Very high85.2Confident134 Ų13473 Ų7363%0.62643%0.428SS*.EExtended strand (participates in β ladder)trans-119.5147.9179.2-63.7-174.51.300111Q31 F32 I33 S88Q31-Q86 PolarHBondContact O-N 3.03Å; F32-Q86 CarbonylContact C-O 3.57Å; F32-Q86 WeakPolarHBondContact CA-O 3.49Å; I33-Q86 PolarHBondContact N-O 2.86Å; Q86-S88 PolarHBondContact O-N 3.39Å
87P92.1Very high85.4Confident66 Ų6669.4 Ų69.443%0.42940%0.403SS..EExtended strand (participates in β ladder)trans-56.1131.7171.1-25.935.5000111.7L91 V92P87-L91 HydrophobicContact CB-CD2 4.08Å; P87-V92 HydrophobicContact CB-CG2 3.84Å
88S93.8Very high85.7Confident7 Ų763.8 Ų63.85%0.04938%0.377CS..  trans-66.3158.2174.681.50000111.1I33 E34 Q86 D90 L91 V92I33-S88 PolarHBondContact O-N 2.92Å; E34-S88 VanDerWaalsContact CD-CB 3.43Å; E34-S88 WeakPolarHBondContact OE1-CB 3.44Å; E34-S88 WeakPolarHBondContact OE2-CB 3.28Å; E34-S88 PolarHBondContact OE2-OG 2.96Å; Q86-S88 PolarHBondContact O-N 3.39Å; S88-D90 PolarHBondContact O-N 2.95Å; S88-D90 PolarHBondContact OG-N 3.26Å; S88-L91 PolarHBondContact O-N 2.81Å; S88-L91 VanDerWaalsContact O-N 3.15Å; S88-L91 PolarHBondContact OG-N 3.28Å; S88-L91 VanDerWaalsContact OG-N 3.07Å; S88-V92 WeakPolarHBondContact O-CG2 3.36Å; S88-V92 PolarHBondContact O-N 3.42Å
89Q91.7Very high86.1Confident173 Ų17363.2 Ų63.281%0.80837%0.372SS*.Hα-helixtrans-59.4-32.6175.3-67.1-172.84.200111.8R93Q89-R93 WeakPolarHBondContact O-CB 3.25Å; Q89-R93 PolarHBondContact O-N 2.8Å
90D92.5Very high86.9Confident59 Ų5961 Ų6132%0.31636%0.36SS..Hα-helixtrans-69.2-43.1176.8-76.4-7.4000111.3P35 S88 R93 V94P35-D90 HydrophobicContact CG-CB 4.15Å; S88-D90 PolarHBondContact O-N 2.95Å; S88-D90 PolarHBondContact OG-N 3.26Å; D90-R93 VanDerWaalsContact CG-NH2 3.27Å; D90-R93 WeakPolarHBondContact O-CB 3.45Å; D90-R93 PolarHBondContact O-N 2.89Å; D90-R93 IonicContact OD1-CZ 3.65Å; D90-R93 IonicContact OD1-NH1 2.8Å; D90-R93 PolarHBondContact OD1-NH1 3.02Å; D90-R93 IonicContact OD1-NH2 3.87Å; D90-R93 PolarHBondContact OD1-NH2 3.08Å; D90-R93 IonicContact OD2-NH2 4Å; D90-V94 WeakPolarHBondContact O-CG2 3.44Å; D90-V94 PolarHBondContact O-N 2.91Å
91L94.2Very high88Confident0 Ų057.5 Ų57.50%032%0.321CS..Hα-helixtrans-61.3-47.4174.1178.459.1000111.8I33 P35 L38 P87 S88 R93 V94 L95 F115I33-L91 HydrophobicContact CB-CD2 3.84Å; I33-L91 HydrophobicContact CG2-CD2 3.63Å; I33-L91 WeakPolarHBondContact O-CB 3.4Å; I33-L91 WeakPolarHBondContact O-CD2 3.45Å; P35-L91 HydrophobicContact CG-CB 4.24Å; L38-L91 HydrophobicContact CB-CD1 4.35Å; L38-L91 HydrophobicContact CD2-CD1 3.71Å; P87-L91 HydrophobicContact CB-CD2 4.08Å; S88-L91 PolarHBondContact O-N 2.81Å; S88-L91 VanDerWaalsContact O-N 3.15Å; S88-L91 PolarHBondContact OG-N 3.28Å; S88-L91 VanDerWaalsContact OG-N 3.07Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 3.41Å; L91-V94 PolarHBondContact O-N 3.48Å; L91-L95 HydrophobicContact CD1-CD1 3.63Å; L91-L95 HydrophobicContact CD1-CG 4.05Å; L91-L95 HydrophobicContact CD2-CD1 4.39Å; L91-L95 HydrophobicContact CG-CD1 3.73Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 3.01Å; L91-F115 HydrophobicContact CD1-CE2 4.04Å; L91-F115 HydrophobicContact CD1-CZ 4.39Å
92V92.3Very high89.5Confident48 Ų4854.8 Ų54.829%0.29131%0.305SS..Hα-helixtrans-59-40.3176.8173.80000111.1P87 S88 L95 N96P87-V92 HydrophobicContact CB-CG2 3.84Å; S88-V92 WeakPolarHBondContact O-CG2 3.36Å; S88-V92 PolarHBondContact O-N 3.42Å; V92-L95 PolarHBondContact O-N 3.49Å; V92-N96 WeakPolarHBondContact O-CB 3.42Å; V92-N96 VanDerWaalsContact O-CG 3.24Å; V92-N96 PolarHBondContact O-N 3.03Å; V92-N96 PolarHBondContact O-ND2 3.45Å; V92-N96 VanDerWaalsContact O-ND2 3.15Å
93R92.5Very high90.8Very high106 Ų10656.5 Ų56.540%0.429%0.292SS..Hα-helixtrans-62.3-45.7176.1-178174.365.8-118.51.8112Q89 D90 L91 L97 S122 R123Q89-R93 WeakPolarHBondContact O-CB 3.25Å; Q89-R93 PolarHBondContact O-N 2.8Å; D90-R93 VanDerWaalsContact CG-NH2 3.27Å; D90-R93 WeakPolarHBondContact O-CB 3.45Å; D90-R93 PolarHBondContact O-N 2.89Å; D90-R93 IonicContact OD1-CZ 3.65Å; D90-R93 IonicContact OD1-NH1 2.8Å; D90-R93 PolarHBondContact OD1-NH1 3.02Å; D90-R93 IonicContact OD1-NH2 3.87Å; D90-R93 PolarHBondContact OD1-NH2 3.08Å; D90-R93 IonicContact OD2-NH2 4Å; L91-R93 VanDerWaalsContact C-N 3.27Å; L91-R93 PolarHBondContact O-N 3.41Å; R93-L97 PolarHBondContact O-N 2.93Å; R93-L97 VanDerWaalsContact O-N 3.09Å; R93-S122 PolarHBondContact NE-OG 3.04Å; R93-R123 PolarHBondContact NH2-O 2.85Å; R93-R123 VanDerWaalsContact NH2-O 3.09Å
94V94.9Very high91.8Very high3 Ų361.5 Ų61.52%0.01830%0.301CS..Hα-helixtrans-64-42.7178.3177.10000110.8P35 D90 L91 L97 C98 F115 A118 A119P35-V94 HydrophobicContact CG-CG2 4.37Å; D90-V94 WeakPolarHBondContact O-CG2 3.44Å; D90-V94 PolarHBondContact O-N 2.91Å; L91-V94 PolarHBondContact O-N 3.48Å; V94-L97 CarbonylContact O-C 3.54Å; V94-L97 WeakPolarHBondContact O-CA 3.16Å; V94-L97 WeakPolarHBondContact O-CB 3.43Å; V94-L97 PolarHBondContact O-N 3.19Å; V94-L97 VanDerWaalsContact O-N 3.11Å; V94-C98 PolarHBondContact O-N 3.5Å; V94-C98 PolarHBondContact O-SG 3.32Å; V94-F115 HydrophobicContact CB-CE2 4.12Å; V94-F115 HydrophobicContact CG1-CD2 3.58Å; V94-F115 HydrophobicContact CG1-CE2 3.34Å; V94-F115 HydrophobicContact CG1-CG 4.49Å; V94-F115 HydrophobicContact CG1-CZ 4.11Å; V94-A118 HydrophobicContact CG1-CB 3.87Å; V94-A119 HydrophobicContact CG1-CB 4.34Å
95L94.1Very high92.3Very high8 Ų858.7 Ų58.74%0.04228%0.28CS..Hα-helixtrans-68.4-37.4-179.9-71.1168.1000112.7M5 F14 L18 L38 L91 V92 L97 C98 D99 F115M5-L95 HydrophobicContact CE-CB 3.4Å; M5-L95 VanDerWaalsContact CE-CB 3.4Å; M5-L95 HydrophobicContact CE-CD1 3.22Å; M5-L95 HydrophobicContact CE-CG 3.88Å; M5-L95 HydrophobicContact SD-CB 4.23Å; M5-L95 HydrophobicContact SD-CD1 3.66Å; M5-L95 HydrophobicContact SD-CG 4.42Å; F14-L95 HydrophobicContact CE1-CD2 4.29Å; F14-L95 HydrophobicContact CE2-CD2 4.1Å; F14-L95 HydrophobicContact CZ-CD2 3.49Å; F14-L95 VanDerWaalsContact CZ-CD2 3.49Å; L18-L95 HydrophobicContact CD1-CD1 4.28Å; L38-L95 HydrophobicContact CD2-CD1 4.49Å; L38-L95 HydrophobicContact CD2-CD2 4.1Å; L91-L95 HydrophobicContact CD1-CD1 3.63Å; L91-L95 HydrophobicContact CD1-CG 4.05Å; L91-L95 HydrophobicContact CD2-CD1 4.39Å; L91-L95 HydrophobicContact CG-CD1 3.73Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 3.01Å; V92-L95 PolarHBondContact O-N 3.49Å; L95-L97 VanDerWaalsContact C-N 3.25Å; L95-L97 PolarHBondContact O-N 3.44Å; L95-C98 VanDerWaalsContact O-CB 3.3Å; L95-C98 WeakPolarHBondContact O-CB 3.49Å; L95-C98 PolarHBondContact O-N 3.02Å; L95-C98 VanDerWaalsContact O-N 3.16Å; L95-D99 PolarHBondContact O-N 3.28Å; L95-D99 VanDerWaalsContact O-N 3.09Å; L95-F115 HydrophobicContact CD2-CD2 4.19Å; L95-F115 HydrophobicContact CD2-CE2 4.48Å
96N92.2Very high92.5Very high75 Ų7560.1 Ų60.140%0.40130%0.299SS..Hα-helixtrans-62.4-34.6170-73-30.2000112.2V92 D99 K100V92-N96 WeakPolarHBondContact O-CB 3.42Å; V92-N96 VanDerWaalsContact O-CG 3.24Å; V92-N96 PolarHBondContact O-N 3.03Å; V92-N96 PolarHBondContact O-ND2 3.45Å; V92-N96 VanDerWaalsContact O-ND2 3.15Å; N96-D99 PolarHBondContact O-N 3.27Å; N96-K100 PolarHBondContact O-N 3Å; N96-K100 VanDerWaalsContact O-N 3.08Å
97L93.6Very high92.6Very high29 Ų2953.9 Ų53.915%0.15227%0.27CS..Hα-helixtrans-71.4-33.8175-173.958.6000111.8R93 V94 L95 K100 L101 A118 E121R93-L97 PolarHBondContact O-N 2.93Å; R93-L97 VanDerWaalsContact O-N 3.09Å; V94-L97 CarbonylContact O-C 3.54Å; V94-L97 WeakPolarHBondContact O-CA 3.16Å; V94-L97 WeakPolarHBondContact O-CB 3.43Å; V94-L97 PolarHBondContact O-N 3.19Å; V94-L97 VanDerWaalsContact O-N 3.11Å; L95-L97 VanDerWaalsContact C-N 3.25Å; L95-L97 PolarHBondContact O-N 3.44Å; L97-K100 HydrophobicContact CD1-CB 4.45Å; L97-K100 HydrophobicContact CD1-CD 4.09Å; L97-K100 PolarHBondContact O-N 3.42Å; L97-L101 HydrophobicContact CG-CD1 4.47Å; L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 WeakPolarHBondContact O-CG 3.5Å; L97-L101 PolarHBondContact O-N 3.4Å; L97-A118 HydrophobicContact CB-CB 4Å; L97-A118 HydrophobicContact CD2-CB 4.11Å; L97-A118 WeakPolarHBondContact CD2-O 3.3Å; L97-A118 HydrophobicContact CG-CB 3.92Å; L97-E121 HydrophobicContact CD2-CB 3.57Å
98C94.6Very high92.4Very high0 Ų055.1 Ų55.10%027%0.272CS..Hα-helixtrans-59-46.8170.7-59.10000111.4V94 L95 K100 L101 A102 I110 F115 A118V94-C98 PolarHBondContact O-N 3.5Å; V94-C98 PolarHBondContact O-SG 3.32Å; L95-C98 VanDerWaalsContact O-CB 3.3Å; L95-C98 WeakPolarHBondContact O-CB 3.49Å; L95-C98 PolarHBondContact O-N 3.02Å; L95-C98 VanDerWaalsContact O-N 3.16Å; C98-K100 VanDerWaalsContact C-N 3.35Å; C98-K100 PolarHBondContact O-N 2.94Å; C98-L101 PolarHBondContact O-N 3.15Å; C98-A102 WeakPolarHBondContact O-CB 3.39Å; C98-A102 PolarHBondContact O-N 2.86Å; C98-I110 HydrophobicContact CB-CG2 3.57Å; C98-F115 VanDerWaalsContact SG-CA 3.53Å; C98-A118 WeakPolarHBondContact SG-CB 3.31Å
99D92.2Very high92.4Very high44 Ų4456.8 Ų56.824%0.23528%0.279CS..Hα-helixtrans-60.7-44.3176.3-174.419.7000111.3R9 L95 N96 L101 A102 Q103 I110R9-D99 IonicContact CZ-OD1 2.9Å; R9-D99 IonicContact NH1-OD1 2.94Å; R9-D99 PolarHBondContact NH1-OD1 3.46Å; R9-D99 IonicContact NH1-OD2 2.78Å; L95-D99 PolarHBondContact O-N 3.28Å; L95-D99 VanDerWaalsContact O-N 3.09Å; N96-D99 PolarHBondContact O-N 3.27Å; D99-L101 VanDerWaalsContact C-N 3.33Å; D99-L101 PolarHBondContact O-N 2.7Å; D99-A102 PolarHBondContact O-N 2.97Å; D99-Q103 VanDerWaalsContact CG-NE2 3.34Å; D99-Q103 VanDerWaalsContact O-CG 3.31Å; D99-Q103 WeakPolarHBondContact O-CG 3.38Å; D99-Q103 PolarHBondContact O-N 2.92Å; D99-Q103 PolarHBondContact OD1-NE2 3.46Å; D99-Q103 PolarHBondContact OD2-NE2 2.66Å; D99-I110 HydrophobicContact CB-CD1 3.62Å
100K93.3Very high92.5Very high114 Ų11449 Ų4950%0.49624%0.243SC..Hα-helixtrans-59.9-41.3175.3-175.3-178.7-179.7-176.80112.5N96 L97 C98 K104N96-K100 PolarHBondContact O-N 3Å; N96-K100 VanDerWaalsContact O-N 3.08Å; L97-K100 HydrophobicContact CD1-CB 4.45Å; L97-K100 HydrophobicContact CD1-CD 4.09Å; L97-K100 PolarHBondContact O-N 3.42Å; C98-K100 VanDerWaalsContact C-N 3.35Å; C98-K100 PolarHBondContact O-N 2.94Å; K100-K104 WeakPolarHBondContact O-CG 3.49Å; K100-K104 PolarHBondContact O-N 2.88Å; K100-K104 VanDerWaalsContact O-N 3.09Å
101L92.8Very high92.5Very high12 Ų1246.2 Ų46.26%0.06323%0.228CC..Hα-helixtrans-68.5-41.6177.5-72.3173.1000111.5L97 C98 D99 K104 R105 L114 L117 A118L97-L101 HydrophobicContact CG-CD1 4.47Å; L97-L101 WeakPolarHBondContact O-CB 3.33Å; L97-L101 WeakPolarHBondContact O-CG 3.5Å; L97-L101 PolarHBondContact O-N 3.4Å; C98-L101 PolarHBondContact O-N 3.15Å; D99-L101 VanDerWaalsContact C-N 3.33Å; D99-L101 PolarHBondContact O-N 2.7Å; L101-K104 PolarHBondContact O-N 3.36Å; L101-R105 WeakPolarHBondContact O-CG 3.41Å; L101-R105 PolarHBondContact O-N 3.29Å; L101-L114 HydrophobicContact CB-CD2 4.43Å; L101-L117 HydrophobicContact CD1-CB 4.15Å; L101-L117 HydrophobicContact CD1-CD2 4.03Å; L101-L117 HydrophobicContact CD1-CG 3.91Å; L101-L117 HydrophobicContact CD2-CD2 4.43Å; L101-A118 HydrophobicContact CD1-CB 3.99Å
102A92.5Very high92.5Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-59.4-48.9175.200000111C98 D99 K104 R105 G106 D107 I110 L114C98-A102 WeakPolarHBondContact O-CB 3.39Å; C98-A102 PolarHBondContact O-N 2.86Å; D99-A102 PolarHBondContact O-N 2.97Å; A102-K104 PolarHBondContact O-N 2.91Å; A102-R105 CarbonylContact O-C 3.55Å; A102-R105 PolarHBondContact O-N 2.97Å; A102-R105 VanDerWaalsContact O-N 3.1Å; A102-G106 PolarHBondContact O-N 3.49Å; A102-D107 HydrophobicContact CB-CB 4.07Å; A102-D107 PolarHBondContact O-N 3.29Å; A102-I110 HydrophobicContact CB-CG1 3.92Å; A102-L114 HydrophobicContact CB-CD1 3.73Å
103Q91.2Very high92.5Very high114 Ų11444 Ų4453%0.53321%0.214SC..Hα-helixtrans-60.1-42.1177-70.5174.61900112.7D99 R105 G106D99-Q103 VanDerWaalsContact CG-NE2 3.34Å; D99-Q103 VanDerWaalsContact O-CG 3.31Å; D99-Q103 WeakPolarHBondContact O-CG 3.38Å; D99-Q103 PolarHBondContact O-N 2.92Å; D99-Q103 PolarHBondContact OD1-NE2 3.46Å; D99-Q103 PolarHBondContact OD2-NE2 2.66Å; Q103-R105 VanDerWaalsContact C-N 3.27Å; Q103-R105 PolarHBondContact O-N 2.91Å; Q103-G106 PolarHBondContact O-N 3.47Å; Q103-G106 VanDerWaalsContact O-N 3.15Å
104K91.3Very high92.6Very high148 Ų14838.9 Ų38.964%0.64320%0.195SC*.Hα-helixtrans-63.4-32.6176-80-179.4173.9-172.80113.1K100 L101 A102 G106K100-K104 WeakPolarHBondContact O-CG 3.49Å; K100-K104 PolarHBondContact O-N 2.88Å; K100-K104 VanDerWaalsContact O-N 3.09Å; L101-K104 PolarHBondContact O-N 3.36Å; A102-K104 PolarHBondContact O-N 2.91Å; K104-G106 VanDerWaalsContact C-N 3.32Å
105R90.6Very high92.7Very high76 Ų7638.8 Ų38.829%0.28719%0.194SC..Hα-helixtrans-83.4-8.3177-71.4177.1176.1-89.50.9113L101 A102 Q103 D107L101-R105 WeakPolarHBondContact O-CG 3.41Å; L101-R105 PolarHBondContact O-N 3.29Å; A102-R105 CarbonylContact O-C 3.55Å; A102-R105 PolarHBondContact O-N 2.97Å; A102-R105 VanDerWaalsContact O-N 3.1Å; Q103-R105 VanDerWaalsContact C-N 3.27Å; Q103-R105 PolarHBondContact O-N 2.91Å; R105-D107 VanDerWaalsContact C-N 3.34Å
106G89.4Confident92.8Very high47 Ų4738.4 Ų38.449%0.48519%0.192SC..THydrogen-bonded Turntrans7621.2-175.400000113.7A102 Q103 K104A102-G106 PolarHBondContact O-N 3.49Å; Q103-G106 PolarHBondContact O-N 3.47Å; Q103-G106 VanDerWaalsContact O-N 3.15Å; K104-G106 VanDerWaalsContact C-N 3.32Å
107D92.3Very high92.9Very high3 Ų334.9 Ų34.92%0.01617%0.174CC..  trans-79.9133.1178.3-65.7-31.7000110.9R9 A102 R105 F109 R148 S152 V153R9-D107 PolarHBondContact NH2-O 2.91Å; A102-D107 HydrophobicContact CB-CB 4.07Å; A102-D107 PolarHBondContact O-N 3.29Å; R105-D107 VanDerWaalsContact C-N 3.34Å; D107-F109 WeakPolarHBondContact CB-O 3.3Å; D107-R148 VanDerWaalsContact CG-NH1 3.3Å; D107-R148 IonicContact OD1-NH1 3.72Å; D107-R148 PolarHBondContact OD1-NH1 3.49Å; D107-R148 IonicContact OD2-CZ 2.87Å; D107-R148 VanDerWaalsContact OD2-CZ 3.31Å; D107-R148 IonicContact OD2-NH1 2.82Å; D107-R148 PolarHBondContact OD2-NH1 3.46Å; D107-R148 IonicContact OD2-NH2 2.66Å; D107-R148 PolarHBondContact OD2-NH2 3.5Å; D107-S152 WeakPolarHBondContact OD1-CA 3.37Å; D107-V153 HydrophobicContact CB-CB 4.08Å; D107-V153 PolarHBondContact OD1-N 3.44Å
108N89.6Confident93Very high91 Ų9133.5 Ų33.549%0.48717%0.166SC..SBendtrans-74.4-34.2173-66.7-32.1000111.7R9 V153 N154R9-N108 PolarHBondContact NE-O 3.42Å; R9-N108 PolarHBondContact NH2-O 2.69Å; N108-V153 PolarHBondContact N-O 2.98Å; N108-N154 PolarHBondContact ND2-OD1 3.09Å
109F92Very high93Very high43 Ų4333.7 Ų33.719%0.18917%0.168CC..SBendtrans-115.9152.3178.7-64.5-90.2000111.9D8 R9 T11 D107 V153 N154 Q156D8-F109 WeakPolarHBondContact O-CE1 3.5Å; R9-F109 CarbonylContact O-C 3.56Å; R9-F109 WeakPolarHBondContact O-CA 3.29Å; R9-F109 WeakPolarHBondContact O-CB 3.43Å; R9-F109 WeakPolarHBondContact O-CD1 3.39Å; T11-F109 HydrophobicContact CG2-CB 4.21Å; D107-F109 WeakPolarHBondContact CB-O 3.3Å; F109-V153 HydrophobicContact CB-CG1 3.94Å; F109-V153 PolarHBondContact N-O 3.29Å; F109-N154 VanDerWaalsContact CD2-C 3.49Å; F109-N154 VanDerWaalsContact CE2-O 3.32Å; F109-N154 WeakPolarHBondContact CE2-O 3.04Å; F109-Q156 HydrophobicContact CD1-CG 3.58Å; F109-Q156 HydrophobicContact CE1-CB 4.47Å; F109-Q156 HydrophobicContact CE1-CG 3.21Å; F109-Q156 HydrophobicContact CG-CG 4.4Å; F109-Q156 HydrophobicContact CZ-CG 3.74Å
110I93.9Very high93.1Very high10 Ų1031.8 Ų31.85%0.05116%0.158CC..BIsolated β-bridgetrans-94.7115.1179.5-51.8171.7000107.6R9 L10 T11 F14 C98 D99 A102 L114R9-I110 PolarHBondContact O-N 3.16Å; L10-I110 HydrophobicContact CD2-CB 3.9Å; L10-I110 HydrophobicContact CD2-CD1 4.09Å; L10-I110 HydrophobicContact CD2-CG2 4.26Å; T11-I110 PolarHBondContact N-O 2.88Å; T11-I110 VanDerWaalsContact N-O 3.1Å; T11-I110 PolarHBondContact OG1-O 2.9Å; F14-I110 HydrophobicContact CD1-CG2 4.17Å; F14-I110 WeakPolarHBondContact CD1-O 3.31Å; F14-I110 HydrophobicContact CE1-CG2 3.84Å; C98-I110 HydrophobicContact CB-CG2 3.57Å; D99-I110 HydrophobicContact CB-CD1 3.62Å; A102-I110 HydrophobicContact CB-CG1 3.92Å; I110-L114 HydrophobicContact CG2-CD1 4.42Å
111S92.9Very high92.9Very high0 Ų030.6 Ų30.60%015%0.154CC..  trans-89.2151.6176.857.10000112.9E113 L114 R148 E159S111-E113 VanDerWaalsContact C-N 3.26Å; S111-E113 PolarHBondContact O-N 2.89Å; S111-E113 VanDerWaalsContact O-N 3.14Å; S111-E113 WeakPolarHBondContact OG-CG 3.32Å; S111-E113 PolarHBondContact OG-OE1 2.92Å; S111-E113 VanDerWaalsContact OG-OE1 3.08Å; S111-L114 WeakPolarHBondContact O-CB 3.49Å; S111-L114 PolarHBondContact O-N 2.87Å; S111-R148 PolarHBondContact OG-NH2 3.49Å; S111-E159 WeakPolarHBondContact CA-OE1 3.12Å; S111-E159 VanDerWaalsContact CB-OE1 3.31Å; S111-E159 WeakPolarHBondContact CB-OE1 3.41Å
112S94.4Very high92.6Very high0 Ų030.6 Ų30.60%015%0.154CC..THydrogen-bonded Turntrans-48.9-38.5179.1-57.90000114.8L114 F115 E159S112-L114 PolarHBondContact O-N 3.44Å; S112-F115 WeakPolarHBondContact O-CB 3.4Å; S112-F115 PolarHBondContact O-N 3.36Å; S112-E159 WeakPolarHBondContact CB-OE2 3.5Å; S112-E159 PolarHBondContact N-OE1 3.47Å; S112-E159 PolarHBondContact OG-OE1 3.4Å; S112-E159 VanDerWaalsContact OG-OE1 3.12Å; S112-E159 PolarHBondContact OG-OE2 3.04Å
113E92.8Very high92.2Very high0 Ų040.8 Ų40.80%019%0.193CC..Hα-helixtrans-63.9-27.6-179.971.9-15915700114L53 S111 F115 V116 L117 I144 R148 R162L53-E113 HydrophobicContact CD2-CB 3.75Å; S111-E113 VanDerWaalsContact C-N 3.26Å; S111-E113 PolarHBondContact O-N 2.89Å; S111-E113 VanDerWaalsContact O-N 3.14Å; S111-E113 WeakPolarHBondContact OG-CG 3.32Å; S111-E113 PolarHBondContact OG-OE1 2.92Å; S111-E113 VanDerWaalsContact OG-OE1 3.08Å; E113-F115 PolarHBondContact O-N 2.81Å; E113-V116 PolarHBondContact O-N 3.5Å; E113-L117 PolarHBondContact O-N 2.94Å; E113-I144 HydrophobicContact CB-CD1 4.31Å; E113-I144 HydrophobicContact CB-CG1 4.06Å; E113-I144 HydrophobicContact CG-CD1 4.05Å; E113-I144 HydrophobicContact CG-CG1 3.91Å; E113-I144 HydrophobicContact CG-CG2 4.2Å; E113-R148 IonicContact OE1-CZ 3.06Å; E113-R148 IonicContact OE1-NE 3.59Å; E113-R148 PolarHBondContact OE1-NE 3.14Å; E113-R148 IonicContact OE1-NH2 2.71Å; E113-R148 PolarHBondContact OE1-NH2 3Å; E113-R162 IonicContact OE1-CZ 3.31Å; E113-R162 VanDerWaalsContact OE1-CZ 3.24Å; E113-R162 IonicContact OE1-NH1 3.96Å; E113-R162 PolarHBondContact OE1-NH1 2.94Å; E113-R162 IonicContact OE1-NH2 2.99Å; E113-R162 PolarHBondContact OE1-NH2 2.89Å; E113-R162 IonicContact OE2-CZ 2.64Å; E113-R162 IonicContact OE2-NH1 3.21Å; E113-R162 PolarHBondContact OE2-NH1 2.8Å; E113-R162 IonicContact OE2-NH2 2.73Å
114L94.9Very high92.1Very high0 Ų036.7 Ų36.70%018%0.182CC..Hα-helixtrans-69-21.9176.5-63.8-178000110.9L101 A102 I110 S111 S112 L117 A118 I144L101-L114 HydrophobicContact CB-CD2 4.43Å; A102-L114 HydrophobicContact CB-CD1 3.73Å; I110-L114 HydrophobicContact CG2-CD1 4.42Å; S111-L114 WeakPolarHBondContact O-CB 3.49Å; S111-L114 PolarHBondContact O-N 2.87Å; S112-L114 PolarHBondContact O-N 3.44Å; L114-L117 PolarHBondContact O-N 3.15Å; L114-A118 WeakPolarHBondContact O-CB 3.11Å; L114-A118 PolarHBondContact O-N 3.28Å; L114-I144 HydrophobicContact CD2-CD1 4.41Å
115F96.7Very high92.2Very high0 Ų033.7 Ų33.70%018%0.176CC..Hα-helixtrans-62.9-42.5171.8-174.4-101.8000112F14 P35 L38 M39 L42 L91 V94 L95 C98 S112 E113 L117 A118 A119 L126F14-F115 HydrophobicContact CE1-CB 4.39Å; F14-F115 HydrophobicContact CE2-CB 4.39Å; F14-F115 HydrophobicContact CE2-CD2 4.48Å; F14-F115 HydrophobicContact CZ-CB 3.79Å; F14-F115 AromaticContact CZ-CD2 3.99Å; F14-F115 HydrophobicContact CZ-CD2 3.99Å; F14-F115 HydrophobicContact CZ-CG 4.17Å; P35-F115 HydrophobicContact CB-CZ 4.11Å; L38-F115 HydrophobicContact CB-CE1 4.23Å; L38-F115 HydrophobicContact CB-CE2 4.42Å; L38-F115 HydrophobicContact CB-CZ 3.89Å; L38-F115 HydrophobicContact CD2-CD1 4.49Å; L38-F115 HydrophobicContact CD2-CD2 3.62Å; L38-F115 HydrophobicContact CD2-CE1 4.19Å; L38-F115 HydrophobicContact CD2-CE2 3.26Å; L38-F115 HydrophobicContact CD2-CG 4.22Å; L38-F115 HydrophobicContact CD2-CZ 3.58Å; L38-F115 HydrophobicContact CG-CD1 4.39Å; L38-F115 HydrophobicContact CG-CD2 4.36Å; L38-F115 HydrophobicContact CG-CE1 4.02Å; L38-F115 HydrophobicContact CG-CE2 4.01Å; L38-F115 HydrophobicContact CG-CZ 3.82Å; M39-F115 HydrophobicContact CB-CE1 4.1Å; M39-F115 HydrophobicContact SD-CD1 4.18Å; M39-F115 HydrophobicContact SD-CE1 4.21Å; L42-F115 HydrophobicContact CD1-CB 3.92Å; L42-F115 HydrophobicContact CD1-CD1 3.47Å; L42-F115 VanDerWaalsContact CD1-CD1 3.47Å; L42-F115 HydrophobicContact CD1-CE1 4.22Å; L42-F115 HydrophobicContact CD1-CG 3.86Å; L91-F115 HydrophobicContact CD1-CE2 4.04Å; L91-F115 HydrophobicContact CD1-CZ 4.39Å; V94-F115 HydrophobicContact CB-CE2 4.12Å; V94-F115 HydrophobicContact CG1-CD2 3.58Å; V94-F115 HydrophobicContact CG1-CE2 3.34Å; V94-F115 HydrophobicContact CG1-CG 4.49Å; V94-F115 HydrophobicContact CG1-CZ 4.11Å; L95-F115 HydrophobicContact CD2-CD2 4.19Å; L95-F115 HydrophobicContact CD2-CE2 4.48Å; C98-F115 VanDerWaalsContact SG-CA 3.53Å; S112-F115 WeakPolarHBondContact O-CB 3.4Å; S112-F115 PolarHBondContact O-N 3.36Å; E113-F115 PolarHBondContact O-N 2.81Å; F115-L117 VanDerWaalsContact C-N 3.35Å; F115-L117 PolarHBondContact O-N 2.92Å; F115-A118 PolarHBondContact O-N 3.35Å; F115-A119 WeakPolarHBondContact O-CB 3.17Å; F115-A119 PolarHBondContact O-N 3.17Å; F115-L126 HydrophobicContact CE1-CD2 3.91Å; F115-L126 HydrophobicContact CZ-CD2 4.14Å
116V95.9Very high92.4Very high0 Ų030.5 Ų30.50%016%0.164CC..Hα-helixtrans-62.6-45.6177.4-174.50000110.3M39 V50 L53 L54 E113 A119 L120 L130 I140M39-V116 HydrophobicContact CE-CG2 3.97Å; M39-V116 HydrophobicContact SD-CG2 4.2Å; V50-V116 HydrophobicContact CG1-CG2 3.72Å; V50-V116 HydrophobicContact CG2-CG2 4.11Å; L53-V116 HydrophobicContact CD2-CB 4.27Å; L53-V116 HydrophobicContact CD2-CG2 4.16Å; L54-V116 HydrophobicContact CD2-CG1 4.02Å; E113-V116 PolarHBondContact O-N 3.5Å; V116-A119 PolarHBondContact O-N 3.4Å; V116-L120 PolarHBondContact O-N 2.94Å; V116-L120 VanDerWaalsContact O-N 3.16Å; V116-L130 HydrophobicContact CG1-CD1 4.5Å; V116-L130 HydrophobicContact CG1-CD2 4.48Å; V116-I140 HydrophobicContact CB-CG2 4.45Å; V116-I140 HydrophobicContact CG1-CD1 4.12Å; V116-I140 HydrophobicContact CG1-CG1 4.28Å; V116-I140 HydrophobicContact CG1-CG2 4.18Å
117L94.4Very high92.7Very high2 Ų228.3 Ų28.31%0.0114%0.142CC..Hα-helixtrans-65.4-43.8178.7-172.360.1000111.9L101 E113 L114 F115 L120 E121 T137 I140 I144L101-L117 HydrophobicContact CD1-CB 4.15Å; L101-L117 HydrophobicContact CD1-CD2 4.03Å; L101-L117 HydrophobicContact CD1-CG 3.91Å; L101-L117 HydrophobicContact CD2-CD2 4.43Å; E113-L117 PolarHBondContact O-N 2.94Å; L114-L117 PolarHBondContact O-N 3.15Å; F115-L117 VanDerWaalsContact C-N 3.35Å; F115-L117 PolarHBondContact O-N 2.92Å; L117-L120 PolarHBondContact O-N 3.24Å; L117-E121 PolarHBondContact O-N 2.89Å; L117-T137 HydrophobicContact CD1-CG2 3.79Å; L117-I140 HydrophobicContact CB-CG2 4.15Å; L117-I140 HydrophobicContact CD1-CB 4.41Å; L117-I140 HydrophobicContact CD1-CG2 4.17Å; L117-I144 HydrophobicContact CB-CD1 4.12Å; L117-I144 HydrophobicContact CD2-CD1 4.08Å
118A95.7Very high92.8Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-65.8-39.4176.300000112.3V94 L97 C98 L101 L114 F115 L120 E121 S122V94-A118 HydrophobicContact CG1-CB 3.87Å; L97-A118 HydrophobicContact CB-CB 4Å; L97-A118 HydrophobicContact CD2-CB 4.11Å; L97-A118 WeakPolarHBondContact CD2-O 3.3Å; L97-A118 HydrophobicContact CG-CB 3.92Å; C98-A118 WeakPolarHBondContact SG-CB 3.31Å; L101-A118 HydrophobicContact CD1-CB 3.99Å; L114-A118 WeakPolarHBondContact O-CB 3.11Å; L114-A118 PolarHBondContact O-N 3.28Å; F115-A118 PolarHBondContact O-N 3.35Å; A118-L120 VanDerWaalsContact C-N 3.29Å; A118-L120 PolarHBondContact O-N 2.9Å; A118-E121 PolarHBondContact O-N 3.1Å; A118-S122 WeakPolarHBondContact O-CB 3.35Å; A118-S122 PolarHBondContact O-N 2.67Å
119A95.2Very high93.2Very high3 Ų329.9 Ų29.93%0.02515%0.15CC..Hα-helixtrans-61.5-39176.700000111.4V94 F115 V116 S122 L126 A127 L130V94-A119 HydrophobicContact CG1-CB 4.34Å; F115-A119 WeakPolarHBondContact O-CB 3.17Å; F115-A119 PolarHBondContact O-N 3.17Å; V116-A119 PolarHBondContact O-N 3.4Å; A119-S122 PolarHBondContact O-N 3.02Å; A119-L126 HydrophobicContact CB-CD2 3.68Å; A119-L126 HydrophobicContact CB-CG 4.13Å; A119-A127 VanDerWaalsContact O-CB 3.26Å; A119-A127 WeakPolarHBondContact O-CB 3.47Å; A119-L130 HydrophobicContact CB-CD1 3.87Å
120L93Very high93.4Very high5 Ų527.8 Ų27.83%0.02614%0.141CC..Hα-helixtrans-66.4-38175.5-81.3173.7000114.2V116 L117 A118 S122 L130 K131 A135 I140V116-L120 PolarHBondContact O-N 2.94Å; V116-L120 VanDerWaalsContact O-N 3.16Å; L117-L120 PolarHBondContact O-N 3.24Å; A118-L120 VanDerWaalsContact C-N 3.29Å; A118-L120 PolarHBondContact O-N 2.9Å; L120-S122 VanDerWaalsContact C-N 3.3Å; L120-L130 HydrophobicContact CD2-CB 3.7Å; L120-L130 HydrophobicContact CD2-CD1 4.41Å; L120-L130 HydrophobicContact CG-CB 4.34Å; L120-L130 HydrophobicContact CG-CD1 4.21Å; L120-K131 HydrophobicContact CD2-CG 3.89Å; L120-A135 HydrophobicContact CD1-CB 3.99Å; L120-A135 HydrophobicContact CD2-CB 4.03Å; L120-A135 HydrophobicContact CG-CB 4.49Å; L120-I140 HydrophobicContact CD1-CB 4.23Å; L120-I140 HydrophobicContact CD1-CG1 3.54Å
121E89.7Confident93.4Very high89 Ų8932.6 Ų32.642%0.41616%0.161SC..Hα-helixtrans-75.7-20175.9-77.3-171.7-166.500112.7L97 L117 A118L97-E121 HydrophobicContact CD2-CB 3.57Å; L117-E121 PolarHBondContact O-N 2.89Å; A118-E121 PolarHBondContact O-N 3.1Å
122S87.1Confident93.5Very high11 Ų1136.9 Ų36.98%0.07720%0.197CC..SBendtrans-78.9177.2173.1-166.10000111.9R93 A118 A119 L120R93-S122 PolarHBondContact NE-OG 3.04Å; A118-S122 WeakPolarHBondContact O-CB 3.35Å; A118-S122 PolarHBondContact O-N 2.67Å; A119-S122 PolarHBondContact O-N 3.02Å; L120-S122 VanDerWaalsContact C-N 3.3Å
123R84Confident93.5Very high215 Ų21538.4 Ų38.481%0.81121%0.209SC*.  trans-111.7150.6170.1-59.4-179.8-176.1-177.3-0.2109R93R93-R123 PolarHBondContact NH2-O 2.85Å; R93-R123 VanDerWaalsContact NH2-O 3.09Å
124G88.9Confident93.5Very high28 Ų2840.3 Ų40.329%0.28923%0.229SC..SBendtrans132.4176.2175.200000112.9L126 A127 D128G124-L126 VanDerWaalsContact C-N 3.3Å; G124-L126 PolarHBondContact O-N 3.11Å; G124-A127 WeakPolarHBondContact O-CB 3.4Å; G124-A127 PolarHBondContact O-N 3.02Å; G124-D128 PolarHBondContact O-N 2.77Å
125T92.9Very high93.5Very high85 Ų8540.4 Ų40.452%0.52123%0.229SC..Hα-helixtrans-53.5-41.5-173.4-47.90000113.6L36 A71 A127 D128 I129L36-T125 HydrophobicContact CD1-CG2 4.33Å; A71-T125 HydrophobicContact CB-CG2 4.22Å; T125-A127 PolarHBondContact O-N 3.49Å; T125-D128 PolarHBondContact O-N 3.27Å; T125-I129 HydrophobicContact CG2-CD1 3.96Å; T125-I129 VanDerWaalsContact O-CG1 3.3Å; T125-I129 WeakPolarHBondContact O-CG1 3.43Å; T125-I129 PolarHBondContact O-N 3.44Å
126L95.4Very high93.4Very high8 Ų843.7 Ų43.74%0.04225%0.25CC..Hα-helixtrans-63.4-40.4178.3175.561000112.2P35 L36 M39 I68 F115 A119 G124 D128 I129 L130P35-L126 HydrophobicContact CB-CB 4.32Å; P35-L126 HydrophobicContact CB-CD2 3.64Å; L36-L126 HydrophobicContact CD2-CB 3.97Å; L36-L126 HydrophobicContact CD2-CD1 4.15Å; L36-L126 HydrophobicContact CG-CB 4.47Å; M39-L126 HydrophobicContact CB-CD1 3.78Å; M39-L126 HydrophobicContact CB-CD2 3.96Å; M39-L126 HydrophobicContact CG-CD1 3.69Å; M39-L126 HydrophobicContact CG-CD2 4.44Å; M39-L126 HydrophobicContact SD-CD1 4.48Å; I68-L126 HydrophobicContact CD1-CD1 4.34Å; F115-L126 HydrophobicContact CE1-CD2 3.91Å; F115-L126 HydrophobicContact CZ-CD2 4.14Å; A119-L126 HydrophobicContact CB-CD2 3.68Å; A119-L126 HydrophobicContact CB-CG 4.13Å; G124-L126 VanDerWaalsContact C-N 3.3Å; G124-L126 PolarHBondContact O-N 3.11Å; L126-D128 VanDerWaalsContact C-N 3.31Å; L126-D128 PolarHBondContact O-N 2.96Å; L126-I129 PolarHBondContact O-N 3Å; L126-L130 HydrophobicContact CD1-CD1 4.05Å; L126-L130 HydrophobicContact CD1-CG 4.06Å; L126-L130 HydrophobicContact CG-CD1 4Å; L126-L130 HydrophobicContact CG-CG 4.45Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.28Å
127A95Very high93.2Very high2 Ų246.9 Ų46.92%0.01727%0.269CS..Hα-helixtrans-65-39.117900000111.1A119 G124 T125 K131A119-A127 VanDerWaalsContact O-CB 3.26Å; A119-A127 WeakPolarHBondContact O-CB 3.47Å; G124-A127 WeakPolarHBondContact O-CB 3.4Å; G124-A127 PolarHBondContact O-N 3.02Å; T125-A127 PolarHBondContact O-N 3.49Å; A127-K131 WeakPolarHBondContact O-CB 3.42Å; A127-K131 VanDerWaalsContact O-CG 3.25Å; A127-K131 WeakPolarHBondContact O-CG 3.45Å; A127-K131 PolarHBondContact O-N 2.95Å
128D95.5Very high93.2Very high102 Ų10250.3 Ų50.355%0.54530%0.298SS..Hα-helixtrans-68-42.5178.6-62.5-28.1000111.3G124 T125 L126 K131 A132G124-D128 PolarHBondContact O-N 2.77Å; T125-D128 PolarHBondContact O-N 3.27Å; L126-D128 VanDerWaalsContact C-N 3.31Å; L126-D128 PolarHBondContact O-N 2.96Å; D128-K131 PolarHBondContact O-N 2.6Å; D128-A132 VanDerWaalsContact O-CB 3.29Å; D128-A132 WeakPolarHBondContact O-CB 3.48Å; D128-A132 PolarHBondContact O-N 3.24Å
129I96.3Very high93.2Very high24 Ų2452 Ų5212%0.12331%0.307CS..Hα-helixtrans-62.2-47.1174.9-68.3168.2000110.9L36 L64 D67 I68 A71 T125 L126 K131 A132 A133L36-I129 HydrophobicContact CD2-CD1 4.03Å; L64-I129 HydrophobicContact CD1-CG2 3.57Å; D67-I129 HydrophobicContact CB-CG2 3.87Å; I68-I129 HydrophobicContact CG1-CG2 4.23Å; A71-I129 HydrophobicContact CB-CD1 3.57Å; T125-I129 HydrophobicContact CG2-CD1 3.96Å; T125-I129 VanDerWaalsContact O-CG1 3.3Å; T125-I129 WeakPolarHBondContact O-CG1 3.43Å; T125-I129 PolarHBondContact O-N 3.44Å; L126-I129 PolarHBondContact O-N 3Å; I129-K131 PolarHBondContact O-N 3.24Å; I129-A132 PolarHBondContact O-N 3.04Å; I129-A133 WeakPolarHBondContact O-CB 3.47Å; I129-A133 PolarHBondContact O-N 3.34Å
130L96.4Very high93.1Very high0 Ų051.9 Ų51.90%031%0.306CS..Hα-helixtrans-59.9-44.9177.9-74.4170.9000111.4M39 L54 L64 V116 A119 L120 L126 A133 G134 A135M39-L130 HydrophobicContact CE-CD2 4.14Å; L54-L130 HydrophobicContact CD2-CD2 4.47Å; L64-L130 HydrophobicContact CD1-CD2 4.14Å; L64-L130 HydrophobicContact CD2-CD2 3.88Å; V116-L130 HydrophobicContact CG1-CD1 4.5Å; V116-L130 HydrophobicContact CG1-CD2 4.48Å; A119-L130 HydrophobicContact CB-CD1 3.87Å; L120-L130 HydrophobicContact CD2-CB 3.7Å; L120-L130 HydrophobicContact CD2-CD1 4.41Å; L120-L130 HydrophobicContact CG-CB 4.34Å; L120-L130 HydrophobicContact CG-CD1 4.21Å; L126-L130 HydrophobicContact CD1-CD1 4.05Å; L126-L130 HydrophobicContact CD1-CG 4.06Å; L126-L130 HydrophobicContact CG-CD1 4Å; L126-L130 HydrophobicContact CG-CG 4.45Å; L126-L130 WeakPolarHBondContact O-CB 3.39Å; L126-L130 VanDerWaalsContact O-CG 3.31Å; L126-L130 WeakPolarHBondContact O-CG 3.44Å; L126-L130 PolarHBondContact O-N 3.28Å; L130-A133 PolarHBondContact O-N 3.34Å; L130-G134 PolarHBondContact O-N 3.26Å; L130-A135 HydrophobicContact CB-CB 4.04Å; L130-A135 WeakPolarHBondContact O-CB 3.29Å; L130-A135 PolarHBondContact O-N 2.77Å
131K95.1Very high93.2Very high110 Ų11053.2 Ų53.248%0.47831%0.314SS..Hα-helixtrans-65.1-41.9177.4-73.2169.1-172.2166.10112.3L120 A127 D128 I129 A133 G134L120-K131 HydrophobicContact CD2-CG 3.89Å; A127-K131 WeakPolarHBondContact O-CB 3.42Å; A127-K131 VanDerWaalsContact O-CG 3.25Å; A127-K131 WeakPolarHBondContact O-CG 3.45Å; A127-K131 PolarHBondContact O-N 2.95Å; D128-K131 PolarHBondContact O-N 2.6Å; I129-K131 PolarHBondContact O-N 3.24Å; K131-A133 PolarHBondContact O-N 2.88Å; K131-G134 PolarHBondContact O-N 3.4Å
132A94.2Very high93.3Very high91 Ų9155.1 Ų55.175%0.75232%0.323SS*.Hα-helixtrans-62.1-33.5175.700000112D128 I129 G134D128-A132 VanDerWaalsContact O-CB 3.29Å; D128-A132 WeakPolarHBondContact O-CB 3.48Å; D128-A132 PolarHBondContact O-N 3.24Å; I129-A132 PolarHBondContact O-N 3.04Å; A132-G134 PolarHBondContact O-N 3Å
133A93.5Very high93.4Very high31 Ų3154.7 Ų54.726%0.25632%0.32SS..THydrogen-bonded Turntrans-76.91.2173.300000114.1I59 L64 I129 L130 K131I59-A133 HydrophobicContact CG2-CB 3.99Å; L64-A133 HydrophobicContact CD1-CB 3.98Å; I129-A133 WeakPolarHBondContact O-CB 3.47Å; I129-A133 PolarHBondContact O-N 3.34Å; L130-A133 PolarHBondContact O-N 3.34Å; K131-A133 PolarHBondContact O-N 2.88Å
134G93.3Very high93.8Very high40 Ų4044.5 Ų44.541%0.41228%0.282SS..THydrogen-bonded Turntrans92.28.6178.100000115.1L130 K131 A132 N139L130-G134 PolarHBondContact O-N 3.26Å; K131-G134 PolarHBondContact O-N 3.4Å; A132-G134 PolarHBondContact O-N 3Å; G134-N139 PolarHBondContact O-ND2 2.54Å; G134-N139 VanDerWaalsContact O-ND2 3.07Å
135A94.6Very high93.8Very high2 Ų248.2 Ų48.22%0.01729%0.292CS..  trans-74.9130176.900000111.2I59 L120 L130 I140I59-A135 HydrophobicContact CD1-CB 3.42Å; I59-A135 VanDerWaalsContact CD1-CB 3.42Å; I59-A135 HydrophobicContact CG1-CB 4.31Å; L120-A135 HydrophobicContact CD1-CB 3.99Å; L120-A135 HydrophobicContact CD2-CB 4.03Å; L120-A135 HydrophobicContact CG-CB 4.49Å; L130-A135 HydrophobicContact CB-CB 4.04Å; L130-A135 WeakPolarHBondContact O-CB 3.29Å; L130-A135 PolarHBondContact O-N 2.77Å; A135-I140 HydrophobicContact CB-CD1 4.36Å; A135-I140 HydrophobicContact CB-CG1 4.31Å
136T94.6Very high93.4Very high70 Ų7050.6 Ų50.643%0.42930%0.297SS..  trans-128.1157.117665.80000109.4A138 N139 I140T136-A138 PolarHBondContact O-N 3.03Å; T136-A138 VanDerWaalsContact O-N 3.16Å; T136-N139 WeakPolarHBondContact CA-OD1 3.28Å; T136-N139 PolarHBondContact N-OD1 2.86Å; T136-N139 PolarHBondContact O-N 3.28Å; T136-N139 PolarHBondContact O-OD1 2.9Å; T136-N139 VanDerWaalsContact OG1-CG 3.27Å; T136-N139 PolarHBondContact OG1-N 3.38Å; T136-N139 PolarHBondContact OG1-OD1 2.94Å; T136-I140 WeakPolarHBondContact O-CG1 3.41Å; T136-I140 PolarHBondContact O-N 3.15Å
137T93.3Very high92.7Very high66 Ų6651.4 Ų51.441%0.40530%0.301SS..Hα-helixtrans-56.9-33.8176.1-49.60000111.5L117 T141L117-T137 HydrophobicContact CD1-CG2 3.79Å; T137-T141 WeakPolarHBondContact O-CB 3.29Å; T137-T141 PolarHBondContact O-N 3.3Å; T137-T141 VanDerWaalsContact O-N 3.09Å; T137-T141 PolarHBondContact O-OG1 3.16Å
138A93.8Very high92.2Very high74 Ų7452.1 Ų52.161%0.61230%0.303SS*.Hα-helixtrans-69.9-54.5-179.200000113T136 I140 T141 Q142T136-A138 PolarHBondContact O-N 3.03Å; T136-A138 VanDerWaalsContact O-N 3.16Å; A138-I140 PolarHBondContact O-N 3.01Å; A138-T141 PolarHBondContact O-N 3.31Å; A138-Q142 PolarHBondContact O-N 3.36Å
139N94.8Very high91.2Very high36 Ų3650.4 Ų50.419%0.19331%0.309CS..Hα-helixtrans-68.4-35.4-177.267-6.6000112.6A57 G134 T136 Q142 A143A57-N139 HydrophobicContact CB-CB 4.37Å; A57-N139 PolarHBondContact O-ND2 3.49Å; G134-N139 PolarHBondContact O-ND2 2.54Å; G134-N139 VanDerWaalsContact O-ND2 3.07Å; T136-N139 WeakPolarHBondContact CA-OD1 3.28Å; T136-N139 PolarHBondContact N-OD1 2.86Å; T136-N139 PolarHBondContact O-N 3.28Å; T136-N139 PolarHBondContact O-OD1 2.9Å; T136-N139 VanDerWaalsContact OG1-CG 3.27Å; T136-N139 PolarHBondContact OG1-N 3.38Å; T136-N139 PolarHBondContact OG1-OD1 2.94Å; N139-Q142 PolarHBondContact O-N 3.14Å; N139-A143 WeakPolarHBondContact O-CB 3.46Å; N139-A143 PolarHBondContact O-N 3.22Å
140I94.4Very high90.1Very high0 Ų052.9 Ų52.90%034%0.341CS..Hα-helixtrans-66.4-43.2173.8-63.1-54.1000110.8L53 L54 A57 I59 V116 L117 L120 A135 T136 A138 Q142 A143 I144L53-I140 HydrophobicContact CD2-CG2 4.29Å; L54-I140 HydrophobicContact CD2-CD1 4.11Å; A57-I140 HydrophobicContact CB-CD1 3.7Å; I59-I140 HydrophobicContact CD1-CD1 3.64Å; V116-I140 HydrophobicContact CB-CG2 4.45Å; V116-I140 HydrophobicContact CG1-CD1 4.12Å; V116-I140 HydrophobicContact CG1-CG1 4.28Å; V116-I140 HydrophobicContact CG1-CG2 4.18Å; L117-I140 HydrophobicContact CB-CG2 4.15Å; L117-I140 HydrophobicContact CD1-CB 4.41Å; L117-I140 HydrophobicContact CD1-CG2 4.17Å; L120-I140 HydrophobicContact CD1-CB 4.23Å; L120-I140 HydrophobicContact CD1-CG1 3.54Å; A135-I140 HydrophobicContact CB-CD1 4.36Å; A135-I140 HydrophobicContact CB-CG1 4.31Å; T136-I140 WeakPolarHBondContact O-CG1 3.41Å; T136-I140 PolarHBondContact O-N 3.15Å; A138-I140 PolarHBondContact O-N 3.01Å; I140-Q142 VanDerWaalsContact C-N 3.35Å; I140-Q142 PolarHBondContact O-N 3.22Å; I140-A143 PolarHBondContact O-N 3.19Å; I140-I144 HydrophobicContact CG2-CD1 3.91Å; I140-I144 HydrophobicContact CG2-CG1 4.36Å; I140-I144 VanDerWaalsContact O-CG1 3.28Å; I140-I144 WeakPolarHBondContact O-CG1 3.4Å; I140-I144 PolarHBondContact O-N 3.24Å
141T93.7Very high89.3Confident33 Ų3357 Ų5720%0.20236%0.36CS..Hα-helixtrans-60.3-45.6177-66.80000111.5T137 A138 I144 E145T137-T141 WeakPolarHBondContact O-CB 3.29Å; T137-T141 PolarHBondContact O-N 3.3Å; T137-T141 VanDerWaalsContact O-N 3.09Å; T137-T141 PolarHBondContact O-OG1 3.16Å; A138-T141 PolarHBondContact O-N 3.31Å; T141-I144 PolarHBondContact O-N 3.01Å; T141-E145 WeakPolarHBondContact CG2-OE1 3.16Å; T141-E145 WeakPolarHBondContact O-CG 3.33Å; T141-E145 PolarHBondContact O-N 2.99Å
142Q92.4Very high88.8Confident130 Ų13054.5 Ų54.561%0.60736%0.356SS*.Hα-helixtrans-62.4-42.9177-174.7179.66.900111.9A138 N139 I140 I144 E145 Q146A138-Q142 PolarHBondContact O-N 3.36Å; N139-Q142 PolarHBondContact O-N 3.14Å; I140-Q142 VanDerWaalsContact C-N 3.35Å; I140-Q142 PolarHBondContact O-N 3.22Å; Q142-I144 VanDerWaalsContact C-N 3.35Å; Q142-I144 PolarHBondContact O-N 2.9Å; Q142-E145 PolarHBondContact O-N 3.11Å; Q142-Q146 WeakPolarHBondContact O-CB 3.3Å; Q142-Q146 PolarHBondContact O-N 3.29Å
143A90.1Very high88.4Confident2 Ų250.2 Ų50.22%0.01732%0.321CS..Hα-helixtrans-64-38.9176.700000112.1L53 A57 N139 I140 Q146 M147L53-A143 VanDerWaalsContact CD1-C 3.48Å; L53-A143 HydrophobicContact CD1-CB 3.62Å; L53-A143 HydrophobicContact CG-CB 4.32Å; A57-A143 HydrophobicContact CB-CB 3.97Å; N139-A143 WeakPolarHBondContact O-CB 3.46Å; N139-A143 PolarHBondContact O-N 3.22Å; I140-A143 PolarHBondContact O-N 3.19Å; A143-Q146 PolarHBondContact O-N 2.86Å; A143-M147 WeakPolarHBondContact O-CB 3.5Å; A143-M147 WeakPolarHBondContact O-CG 3.31Å; A143-M147 PolarHBondContact O-N 3.33Å
144I91Very high88Confident0 Ų052.1 Ų52.10%033%0.327CS..Hα-helixtrans-61.7-47.6174-70.1170000109.9L53 E113 L114 L117 I140 T141 Q142 Q146 M147 R148L53-I144 HydrophobicContact CD1-CB 4.26Å; L53-I144 HydrophobicContact CD1-CG1 3.53Å; L53-I144 HydrophobicContact CD2-CG1 4.14Å; L53-I144 HydrophobicContact CG-CG1 4.45Å; E113-I144 HydrophobicContact CB-CD1 4.31Å; E113-I144 HydrophobicContact CB-CG1 4.06Å; E113-I144 HydrophobicContact CG-CD1 4.05Å; E113-I144 HydrophobicContact CG-CG1 3.91Å; E113-I144 HydrophobicContact CG-CG2 4.2Å; L114-I144 HydrophobicContact CD2-CD1 4.41Å; L117-I144 HydrophobicContact CB-CD1 4.12Å; L117-I144 HydrophobicContact CD2-CD1 4.08Å; I140-I144 HydrophobicContact CG2-CD1 3.91Å; I140-I144 HydrophobicContact CG2-CG1 4.36Å; I140-I144 VanDerWaalsContact O-CG1 3.28Å; I140-I144 WeakPolarHBondContact O-CG1 3.4Å; I140-I144 PolarHBondContact O-N 3.24Å; T141-I144 PolarHBondContact O-N 3.01Å; Q142-I144 VanDerWaalsContact C-N 3.35Å; Q142-I144 PolarHBondContact O-N 2.9Å; I144-Q146 PolarHBondContact O-N 3.44Å; I144-M147 PolarHBondContact O-N 2.88Å; I144-R148 HydrophobicContact CG2-CG 4.26Å; I144-R148 VanDerWaalsContact O-CB 3.31Å; I144-R148 WeakPolarHBondContact O-CB 3.34Å; I144-R148 VanDerWaalsContact O-CG 3.29Å; I144-R148 WeakPolarHBondContact O-CG 3.4Å; I144-R148 PolarHBondContact O-N 3.12Å
145E88.8Confident87.5Confident107 Ų10752.2 Ų52.250%0.532%0.318SS..Hα-helixtrans-62.3-43.4179.8-74.2169.6-173.100112T141 Q142 R148 G149T141-E145 WeakPolarHBondContact CG2-OE1 3.16Å; T141-E145 WeakPolarHBondContact O-CG 3.33Å; T141-E145 PolarHBondContact O-N 2.99Å; Q142-E145 PolarHBondContact O-N 3.11Å; E145-R148 PolarHBondContact O-N 2.75Å; E145-G149 PolarHBondContact O-N 3.03Å
146Q84.7Confident87Confident135 Ų13555.6 Ų55.663%0.63133%0.334SS*.Hα-helixtrans-64.2-43.8176.7-173.7177.32.800111.8S56 Q142 A143 I144 G149S56-Q146 PolarHBondContact OG-OE1 3.21Å; Q142-Q146 WeakPolarHBondContact O-CB 3.3Å; Q142-Q146 PolarHBondContact O-N 3.29Å; A143-Q146 PolarHBondContact O-N 2.86Å; I144-Q146 PolarHBondContact O-N 3.44Å; Q146-G149 PolarHBondContact O-N 3.33Å
147M81.8Confident86.2Confident25 Ų2552.5 Ų52.512%0.12332%0.315CS..Hα-helixtrans-68.4-36.5178.2-82.1-1753400113.4P52 L53 A143 I144 G149P52-M147 HydrophobicContact CB-SD 4.46Å; L53-M147 WeakPolarHBondContact CA-SD 3.48Å; L53-M147 HydrophobicContact CB-CE 4.22Å; L53-M147 HydrophobicContact CB-SD 3.62Å; L53-M147 HydrophobicContact CD1-CE 4.41Å; L53-M147 HydrophobicContact CD1-SD 3.72Å; L53-M147 HydrophobicContact CG-SD 4.32Å; L53-M147 PolarHBondContact N-SD 2.76Å; A143-M147 WeakPolarHBondContact O-CB 3.5Å; A143-M147 WeakPolarHBondContact O-CG 3.31Å; A143-M147 PolarHBondContact O-N 3.33Å; I144-M147 PolarHBondContact O-N 2.88Å; M147-G149 VanDerWaalsContact C-N 3.34Å
148R84.4Confident85.6Confident16 Ų1649.8 Ų49.86%0.0630%0.3CS..Hα-helixtrans-75.3-24.1176.3-73.4-178.8177.5-154.9-0.9112.6D107 S111 E113 I144 E145 G150 E151D107-R148 VanDerWaalsContact CG-NH1 3.3Å; D107-R148 IonicContact OD1-NH1 3.72Å; D107-R148 PolarHBondContact OD1-NH1 3.49Å; D107-R148 IonicContact OD2-CZ 2.87Å; D107-R148 VanDerWaalsContact OD2-CZ 3.31Å; D107-R148 IonicContact OD2-NH1 2.82Å; D107-R148 PolarHBondContact OD2-NH1 3.46Å; D107-R148 IonicContact OD2-NH2 2.66Å; D107-R148 PolarHBondContact OD2-NH2 3.5Å; S111-R148 PolarHBondContact OG-NH2 3.49Å; E113-R148 IonicContact OE1-CZ 3.06Å; E113-R148 IonicContact OE1-NE 3.59Å; E113-R148 PolarHBondContact OE1-NE 3.14Å; E113-R148 IonicContact OE1-NH2 2.71Å; E113-R148 PolarHBondContact OE1-NH2 3Å; I144-R148 HydrophobicContact CG2-CG 4.26Å; I144-R148 VanDerWaalsContact O-CB 3.31Å; I144-R148 WeakPolarHBondContact O-CB 3.34Å; I144-R148 VanDerWaalsContact O-CG 3.29Å; I144-R148 WeakPolarHBondContact O-CG 3.4Å; I144-R148 PolarHBondContact O-N 3.12Å; E145-R148 PolarHBondContact O-N 2.75Å; R148-G150 PolarHBondContact O-N 3.27Å; R148-G150 VanDerWaalsContact O-N 3.14Å; R148-E151 WeakPolarHBondContact CD-O 3.33Å; R148-E151 WeakPolarHBondContact O-CB 3.41Å; R148-E151 PolarHBondContact O-N 2.79Å
149G74.1Confident85Confident66 Ų6646.4 Ų46.468%0.6827%0.271SS*.THydrogen-bonded Turntrans57.626.7-173.400000113.3E145 Q146 M147E145-G149 PolarHBondContact O-N 3.03Å; Q146-G149 PolarHBondContact O-N 3.33Å; M147-G149 VanDerWaalsContact C-N 3.34Å
150G73.1Confident83.9Confident76 Ų7645.5 Ų45.578%0.78427%0.266SS*.THydrogen-bonded Turntrans87-0.1-175.200000116.1R148R148-G150 PolarHBondContact O-N 3.27Å; R148-G150 VanDerWaalsContact O-N 3.14Å
151E79Confident82.7Confident87 Ų8746.8 Ų46.841%0.40727%0.272SS..  trans-76.7144.7178.7-65.2-180-179.400112.8R148 K272R148-E151 WeakPolarHBondContact CD-O 3.33Å; R148-E151 WeakPolarHBondContact O-CB 3.41Å; R148-E151 PolarHBondContact O-N 2.79Å; E151-K272 IonicContact OE1-NZ 2.76Å; E151-K272 PolarHBondContact OE1-NZ 2.92Å
152S84.4Confident81.7Confident57 Ų5746.3 Ų46.340%0.39927%0.267SS..  trans-93.4152.3173.639.90000111.2D107 N154D107-S152 WeakPolarHBondContact OD1-CA 3.37Å; S152-N154 PolarHBondContact O-N 3.41Å; S152-N154 PolarHBondContact OG-ND2 2.82Å
153V87.1Confident80.8Confident2 Ų244.9 Ų44.91%0.01226%0.26CS..  trans-88.988.1-176.6-171.90000109.3T11 D107 N108 F109 A158T11-V153 HydrophobicContact CG2-CG1 3.68Å; D107-V153 HydrophobicContact CB-CB 4.08Å; D107-V153 PolarHBondContact OD1-N 3.44Å; N108-V153 PolarHBondContact N-O 2.98Å; F109-V153 HydrophobicContact CB-CG1 3.94Å; F109-V153 PolarHBondContact N-O 3.29Å; V153-A158 HydrophobicContact CB-CB 4.44Å; V153-A158 HydrophobicContact CG1-CB 3.67Å
154N84.7Confident80.5Confident71 Ų7144.8 Ų44.838%0.3826%0.259SS..  trans-107.8-2.3-171-65.7-33.9000115.2N108 F109 S152N108-N154 PolarHBondContact ND2-OD1 3.09Å; F109-N154 VanDerWaalsContact CD2-C 3.49Å; F109-N154 VanDerWaalsContact CE2-O 3.32Å; F109-N154 WeakPolarHBondContact CE2-O 3.04Å; S152-N154 PolarHBondContact O-N 3.41Å; S152-N154 PolarHBondContact OG-ND2 2.82Å
155D82.6Confident80.3Confident41 Ų4145.3 Ų45.322%0.21926%0.262CS..SBendtrans-136.7161.1175.465.392.3000110.9G157 A158 Q161D155-G157 VanDerWaalsContact C-N 3.28Å; D155-G157 PolarHBondContact O-N 3.29Å; D155-G157 VanDerWaalsContact OD1-CA 3.3Å; D155-G157 WeakPolarHBondContact OD1-CA 3.33Å; D155-G157 PolarHBondContact OD1-N 3.41Å; D155-A158 WeakPolarHBondContact O-CB 3.02Å; D155-A158 PolarHBondContact O-N 3.49Å; D155-A158 WeakPolarHBondContact OD1-CA 3.44Å; D155-A158 PolarHBondContact OD1-N 3.47Å; D155-Q161 PolarHBondContact OD1-NE2 3.39Å; D155-Q161 PolarHBondContact OD2-NE2 3.43Å
156Q84.3Confident80.1Confident74 Ų7448.2 Ų48.235%0.34627%0.273SS..THydrogen-bonded Turntrans-69.7-25.7-178.8-73.1-178.7-19.200112.8D8 T11 N12 F109D8-Q156 PolarHBondContact O-NE2 3.32Å; D8-Q156 VanDerWaalsContact O-NE2 3.13Å; T11-Q156 CarbonylContact C-O 3.43Å; T11-Q156 WeakPolarHBondContact CA-O 3.42Å; T11-Q156 WeakPolarHBondContact CB-O 3.39Å; N12-Q156 PolarHBondContact N-O 2.94Å; F109-Q156 HydrophobicContact CD1-CG 3.58Å; F109-Q156 HydrophobicContact CE1-CB 4.47Å; F109-Q156 HydrophobicContact CE1-CG 3.21Å; F109-Q156 HydrophobicContact CG-CG 4.4Å; F109-Q156 HydrophobicContact CZ-CG 3.74Å
157G77.6Confident80.1Confident4 Ų445 Ų454%0.04126%0.257CS..THydrogen-bonded Turntrans-88.94.9178.900000114.6D155 E159 D160 Q161D155-G157 VanDerWaalsContact C-N 3.28Å; D155-G157 PolarHBondContact O-N 3.29Å; D155-G157 VanDerWaalsContact OD1-CA 3.3Å; D155-G157 WeakPolarHBondContact OD1-CA 3.33Å; D155-G157 PolarHBondContact OD1-N 3.41Å; G157-E159 PolarHBondContact O-N 3.05Å; G157-D160 WeakPolarHBondContact O-CB 3.27Å; G157-D160 PolarHBondContact O-N 3.49Å; G157-Q161 PolarHBondContact O-N 3.44Å
158A81.1Confident80.6Confident10 Ų1044.6 Ų44.68%0.08325%0.254CS..THydrogen-bonded Turntrans-60.5-25.8-168.200000114.3V153 D155V153-A158 HydrophobicContact CB-CB 4.44Å; V153-A158 HydrophobicContact CG1-CB 3.67Å; D155-A158 WeakPolarHBondContact O-CB 3.02Å; D155-A158 PolarHBondContact O-N 3.49Å; D155-A158 WeakPolarHBondContact OD1-CA 3.44Å; D155-A158 PolarHBondContact OD1-N 3.47Å
159E80Confident81Confident3 Ų344.5 Ų44.51%0.01426%0.256CS..THydrogen-bonded Turntrans-72.8-29.7174.7-75.5178.4-133.200113.4T11 K13 S111 S112 G157 K167T11-E159 WeakPolarHBondContact CB-OE1 3.43Å; T11-E159 HydrophobicContact CG2-CG 4.39Å; T11-E159 PolarHBondContact OG1-OE1 2.9Å; K13-E159 HydrophobicContact CB-CB 4.38Å; K13-E159 WeakPolarHBondContact CB-OE2 3.18Å; K13-E159 HydrophobicContact CG-CB 4.23Å; S111-E159 WeakPolarHBondContact CA-OE1 3.12Å; S111-E159 VanDerWaalsContact CB-OE1 3.31Å; S111-E159 WeakPolarHBondContact CB-OE1 3.41Å; S112-E159 WeakPolarHBondContact CB-OE2 3.5Å; S112-E159 PolarHBondContact N-OE1 3.47Å; S112-E159 PolarHBondContact OG-OE1 3.4Å; S112-E159 VanDerWaalsContact OG-OE1 3.12Å; S112-E159 PolarHBondContact OG-OE2 3.04Å; G157-E159 PolarHBondContact O-N 3.05Å; E159-K167 PolarHBondContact O-NZ 3.37Å; E159-K167 VanDerWaalsContact O-NZ 3.12Å
160D72.5Confident82.1Confident17 Ų1744.8 Ų44.89%0.09124%0.241CC..THydrogen-bonded Turntrans-74.3-32178.1-73.9-23.6000111.1K13 G157 R162 R262K13-D160 WeakPolarHBondContact CE-OD1 3.46Å; G157-D160 WeakPolarHBondContact O-CB 3.27Å; G157-D160 PolarHBondContact O-N 3.49Å; D160-R162 PolarHBondContact O-N 2.99Å; D160-R262 HydrophobicContact CB-CG 4.4Å; D160-R262 IonicContact OD2-NE 3.65Å; D160-R262 IonicContact OD2-NH2 2.81Å
161Q68.4Low83.2Confident27 Ų2742.1 Ų42.113%0.12621%0.208CC..THydrogen-bonded Turntrans-70.4-14.4179.3-63.5178.834.400113.9D155 G157 A164D155-Q161 PolarHBondContact OD1-NE2 3.39Å; D155-Q161 PolarHBondContact OD2-NE2 3.43Å; G157-Q161 PolarHBondContact O-N 3.44Å; Q161-A164 WeakPolarHBondContact O-CB 3.4Å
162R73.2Confident84.1Confident23 Ų2338.3 Ų38.39%0.08719%0.191CC..THydrogen-bonded Turntrans-79132.9-177.2-65.5177.8-162.4173.1-5.8112.2E113 D160 A164 K167E113-R162 IonicContact OE1-CZ 3.31Å; E113-R162 VanDerWaalsContact OE1-CZ 3.24Å; E113-R162 IonicContact OE1-NH1 3.96Å; E113-R162 PolarHBondContact OE1-NH1 2.94Å; E113-R162 IonicContact OE1-NH2 2.99Å; E113-R162 PolarHBondContact OE1-NH2 2.89Å; E113-R162 IonicContact OE2-CZ 2.64Å; E113-R162 IonicContact OE2-NH1 3.21Å; E113-R162 PolarHBondContact OE2-NH1 2.8Å; E113-R162 IonicContact OE2-NH2 2.73Å; D160-R162 PolarHBondContact O-N 2.99Å; R162-A164 PolarHBondContact O-N 2.61Å; R162-K167 WeakPolarHBondContact O-CE 3.24Å
163Q74.8Confident84.6Confident99 Ų9935.8 Ų35.846%0.46317%0.173SC..THydrogen-bonded Turntrans50.338.2-176.9-57.5-177-11.200110.8L165 K166 K167 D269Q163-L165 PolarHBondContact O-N 3.2Å; Q163-K166 HydrophobicContact CB-CB 4.4Å; Q163-K166 PolarHBondContact O-N 3.2Å; Q163-K167 PolarHBondContact O-N 2.71Å; Q163-D269 WeakPolarHBondContact CA-OD2 3.26Å
164A83.4Confident84.9Confident0 Ų040.2 Ų40.20%019%0.194CC..Hα-helixtrans-56.6-36.3-174.200000110.9Q161 R162 K166 K167 Y168 V266 D269Q161-A164 WeakPolarHBondContact O-CB 3.4Å; R162-A164 PolarHBondContact O-N 2.61Å; A164-K166 PolarHBondContact O-N 3.41Å; A164-K167 PolarHBondContact O-N 3.28Å; A164-Y168 HydrophobicContact CB-CD2 3.91Å; A164-Y168 HydrophobicContact CB-CE2 4.16Å; A164-Y168 WeakPolarHBondContact O-CB 3.46Å; A164-Y168 VanDerWaalsContact O-CD2 3.24Å; A164-Y168 WeakPolarHBondContact O-CD2 3.5Å; A164-Y168 PolarHBondContact O-N 2.87Å; A164-V266 HydrophobicContact CB-CG2 3.94Å; A164-D269 PolarHBondContact N-OD2 3.46Å
165L86Confident85.4Confident12 Ų1241.3 Ų41.36%0.06319%0.192CC..Hα-helixtrans-53.9-49171.7-82.7-179.6000112.5Q163 K167 T169 L242 V266 D269 L270 Q273Q163-L165 PolarHBondContact O-N 3.2Å; L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 3.12Å; L165-T169 HydrophobicContact CD2-CG2 4.03Å; L165-T169 WeakPolarHBondContact O-CB 3.44Å; L165-T169 PolarHBondContact O-N 3.21Å; L165-T169 VanDerWaalsContact O-N 3.11Å; L165-T169 PolarHBondContact O-OG1 2.7Å; L165-L242 HydrophobicContact CB-CD1 4.49Å; L165-L242 HydrophobicContact CD1-CD1 4.37Å; L165-L242 HydrophobicContact CD2-CD1 3.76Å; L165-L242 HydrophobicContact CG-CD1 4.44Å; L165-V266 HydrophobicContact CD2-CG1 4.19Å; L165-D269 HydrophobicContact CB-CB 4.4Å; L165-D269 HydrophobicContact CD1-CB 3.81Å; L165-D269 HydrophobicContact CG-CB 3.69Å; L165-L270 HydrophobicContact CD1-CD2 4.18Å; L165-L270 HydrophobicContact CD1-CG 4.39Å; L165-L270 HydrophobicContact CD2-CD1 4.45Å; L165-L270 HydrophobicContact CD2-CD2 3.74Å; L165-L270 HydrophobicContact CD2-CG 3.78Å; L165-L270 HydrophobicContact CG-CG 4.45Å; L165-Q273 HydrophobicContact CD1-CG 3.99Å
166K84.4Confident85.9Confident167 Ų16739.5 Ų39.573%0.72618%0.183SC*.Hα-helixtrans-69.8-30.4-177.9-170.1176.9-179.6179.50112.6Q163 A164Q163-K166 HydrophobicContact CB-CB 4.4Å; Q163-K166 PolarHBondContact O-N 3.2Å; A164-K166 PolarHBondContact O-N 3.41Å
167K84.7Confident86Confident68 Ų6841.5 Ų41.530%0.29619%0.193SC..Hα-helixtrans-80.8-38.7-178.4-68.2-175.6-177.21790113.2G47 E159 R162 Q163 A164 L165G47-K167 PolarHBondContact O-NZ 3.2Å; E159-K167 PolarHBondContact O-NZ 3.37Å; E159-K167 VanDerWaalsContact O-NZ 3.12Å; R162-K167 WeakPolarHBondContact O-CE 3.24Å; Q163-K167 PolarHBondContact O-N 2.71Å; A164-K167 PolarHBondContact O-N 3.28Å; L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 3.12Å
168Y91.7Very high86.5Confident16 Ų1644.5 Ų44.56%0.06321%0.206CC..Hα-helixtrans-113.210.6-168.3-55.1-57.7000113.3A164 D245 A248 L249 R262 V266A164-Y168 HydrophobicContact CB-CD2 3.91Å; A164-Y168 HydrophobicContact CB-CE2 4.16Å; A164-Y168 WeakPolarHBondContact O-CB 3.46Å; A164-Y168 VanDerWaalsContact O-CD2 3.24Å; A164-Y168 WeakPolarHBondContact O-CD2 3.5Å; A164-Y168 PolarHBondContact O-N 2.87Å; Y168-D245 PolarHBondContact O-N 2.92Å; Y168-A248 HydrophobicContact CD1-CB 4.09Å; Y168-A248 WeakPolarHBondContact CE1-O 3.41Å; Y168-L249 HydrophobicContact CD1-CD2 3.8Å; Y168-L249 HydrophobicContact CD1-CG 4.21Å; Y168-L249 HydrophobicContact CD2-CD2 3.89Å; Y168-L249 HydrophobicContact CE1-CD2 4.41Å; Y168-L249 HydrophobicContact CG-CD2 3.51Å; Y168-L249 HydrophobicContact CG-CG 4.16Å; Y168-R262 HydrophobicContact CD2-CB 4.47Å; Y168-R262 HydrophobicContact CE1-CG 4.49Å; Y168-R262 HydrophobicContact CE2-CB 3.91Å; Y168-R262 HydrophobicContact CE2-CG 4.02Å; Y168-R262 WeakPolarHBondContact OH-CD 3.42Å; Y168-R262 WeakPolarHBondContact OH-CG 3.31Å; Y168-V266 HydrophobicContact CD2-CG2 3.85Å; Y168-V266 HydrophobicContact CG-CG2 4.31Å
169T94.7Very high86.8Confident15 Ų1544.9 Ų44.99%0.09221%0.21CC..EExtended strand (participates in β ladder)trans-135.4153173.276.70000111.7L165 L242 A243 L244 L279L165-T169 HydrophobicContact CD2-CG2 4.03Å; L165-T169 WeakPolarHBondContact O-CB 3.44Å; L165-T169 PolarHBondContact O-N 3.21Å; L165-T169 VanDerWaalsContact O-N 3.11Å; L165-T169 PolarHBondContact O-OG1 2.7Å; T169-L242 HydrophobicContact CG2-CB 4.3Å; T169-A243 CarbonylContact C-O 3.45Å; T169-A243 WeakPolarHBondContact CA-O 3.4Å; T169-A243 VanDerWaalsContact CB-O 3.27Å; T169-A243 WeakPolarHBondContact CB-O 3.33Å; T169-L244 HydrophobicContact CG2-CD1 4.15Å; T169-L279 HydrophobicContact CG2-CD1 4.04Å
170I95.7Very high87.3Confident71 Ų7150.4 Ų50.436%0.36423%0.234SC..EExtended strand (participates in β ladder)trans-103.9126172.5-61.4166.7000107.7L172 L242 A243I170-L172 HydrophobicContact CG2-CD2 4.38Å; I170-L172 PolarHBondContact O-N 3.16Å; I170-L242 CarbonylContact O-C 3Å; I170-L242 WeakPolarHBondContact O-CA 3.45Å; I170-A243 HydrophobicContact CB-CB 4.44Å; I170-A243 PolarHBondContact N-O 3.39Å; I170-A243 PolarHBondContact O-N 2.84Å
171D96Very high88.3Confident20 Ų2049.9 Ų49.911%0.10723%0.232CC..EExtended strand (participates in β ladder)trans-81102179.2-165.7-35.9000110.7T173 E174 R175 R240 L242D171-T173 VanDerWaalsContact C-N 3.34Å; D171-T173 WeakPolarHBondContact OD1-CA 3.38Å; D171-T173 WeakPolarHBondContact OD1-CB 3.35Å; D171-T173 PolarHBondContact OD1-N 2.87Å; D171-T173 PolarHBondContact OD1-OG1 3.43Å; D171-E174 HydrophobicContact CB-CB 3.76Å; D171-E174 PolarHBondContact OD1-N 3.11Å; D171-R175 WeakPolarHBondContact O-CG 3.41Å; D171-R175 PolarHBondContact O-N 3Å; D171-R175 VanDerWaalsContact O-N 3.09Å; D171-R240 IonicContact OD2-CZ 2.97Å; D171-R240 IonicContact OD2-NE 3Å; D171-R240 PolarHBondContact OD2-NE 3.46Å; D171-R240 IonicContact OD2-NH2 2.66Å; D171-R240 PolarHBondContact OD2-NH2 3.29Å; D171-L242 HydrophobicContact CB-CD2 3.66Å; D171-L242 WeakPolarHBondContact OD2-CD2 3.43Å
172L98Very high89.6Confident7 Ų751.5 Ų51.54%0.03724%0.241CC..Hα-helixtrans-71.9-32.3178.8-61-176.1000111.3I170 R175 A176 L181 V220 E221 A224 V241 A243I170-L172 HydrophobicContact CG2-CD2 4.38Å; I170-L172 PolarHBondContact O-N 3.16Å; L172-R175 PolarHBondContact O-N 3.1Å; L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 2.94Å; L172-L181 HydrophobicContact CB-CD1 4.42Å; L172-L181 HydrophobicContact CD2-CD2 4.34Å; L172-L181 WeakPolarHBondContact O-CD1 3.37Å; L172-V220 HydrophobicContact CD1-CG1 3.8Å; L172-E221 HydrophobicContact CD1-CG 4.37Å; L172-A224 HydrophobicContact CB-CB 3.88Å; L172-V241 HydrophobicContact CB-CB 4.36Å; L172-V241 HydrophobicContact CB-CG1 4.35Å; L172-V241 HydrophobicContact CD1-CG1 4.09Å; L172-V241 PolarHBondContact N-O 2.78Å; L172-A243 HydrophobicContact CD1-CB 4.09Å; L172-A243 HydrophobicContact CD2-CB 4.29Å; L172-A243 HydrophobicContact CG-CB 4.08Å
173T95Very high90.5Very high5 Ų552.9 Ų52.93%0.03125%0.253CS..Hα-helixtrans-64.7-42.517530.80000111.8D171 A176 E177 A224 I228 R240 V241D171-T173 VanDerWaalsContact C-N 3.34Å; D171-T173 WeakPolarHBondContact OD1-CA 3.38Å; D171-T173 WeakPolarHBondContact OD1-CB 3.35Å; D171-T173 PolarHBondContact OD1-N 2.87Å; D171-T173 PolarHBondContact OD1-OG1 3.43Å; T173-A176 PolarHBondContact O-N 3.4Å; T173-E177 WeakPolarHBondContact O-CB 2.87Å; T173-E177 PolarHBondContact O-N 2.9Å; T173-A224 HydrophobicContact CG2-CB 4.02Å; T173-I228 HydrophobicContact CG2-CD1 4.19Å; T173-I228 HydrophobicContact CG2-CG1 4.22Å; T173-R240 WeakPolarHBondContact OG1-CA 3.43Å; T173-V241 HydrophobicContact CG2-CB 4.09Å; T173-V241 HydrophobicContact CG2-CG2 3.97Å; T173-V241 PolarHBondContact OG1-N 3.28Å; T173-V241 VanDerWaalsContact OG1-N 3.11Å
174E93.2Very high91.5Very high95 Ų9549.8 Ų49.844%0.44424%0.241SC..Hα-helixtrans-62.5-45172.8-175.6-174.2167.900111.1D171 A176 E177 Q178D171-E174 HydrophobicContact CB-CB 3.76Å; D171-E174 PolarHBondContact OD1-N 3.11Å; E174-A176 VanDerWaalsContact C-N 3.31Å; E174-A176 PolarHBondContact O-N 3.25Å; E174-E177 WeakPolarHBondContact O-CB 3.43Å; E174-E177 PolarHBondContact O-N 3.3Å; E174-Q178 VanDerWaalsContact CG-NE2 3.34Å; E174-Q178 WeakPolarHBondContact O-CB 3.36Å; E174-Q178 VanDerWaalsContact O-CG 3.26Å; E174-Q178 WeakPolarHBondContact O-CG 3.47Å; E174-Q178 PolarHBondContact O-N 3.18Å; E174-Q178 PolarHBondContact OE1-NE2 3.48Å
175R95.5Very high92Very high93 Ų9352 Ų5235%0.35125%0.253SS..Hα-helixtrans-62.4-37.4176.1-73.2-174.467179.5-3.4112.4D171 L172 Q178 G179 K180 L181D171-R175 WeakPolarHBondContact O-CG 3.41Å; D171-R175 PolarHBondContact O-N 3Å; D171-R175 VanDerWaalsContact O-N 3.09Å; L172-R175 PolarHBondContact O-N 3.1Å; R175-Q178 CarbonylContact O-C 2.95Å; R175-Q178 PolarHBondContact O-N 3.48Å; R175-G179 PolarHBondContact O-N 2.56Å; R175-G179 VanDerWaalsContact O-N 3.13Å; R175-K180 HydrophobicContact CB-CB 4.27Å; R175-K180 PolarHBondContact NH2-O 2.9Å; R175-K180 PolarHBondContact O-N 3.18Å; R175-L181 HydrophobicContact CB-CD2 3.56Å; R175-L181 HydrophobicContact CB-CG 3.83Å; R175-L181 HydrophobicContact CG-CD2 4.45Å
176A92.9Very high92.1Very high3 Ų353.5 Ų53.53%0.02527%0.27CS..Hα-helixtrans-67.3-39.5175.600000111.8L172 T173 E174 Q178 G179 L181 A224 Q225 I228 R495L172-A176 WeakPolarHBondContact O-CB 3.42Å; L172-A176 PolarHBondContact O-N 2.94Å; T173-A176 PolarHBondContact O-N 3.4Å; E174-A176 VanDerWaalsContact C-N 3.31Å; E174-A176 PolarHBondContact O-N 3.25Å; A176-Q178 VanDerWaalsContact C-N 3.3Å; A176-Q178 PolarHBondContact O-N 2.75Å; A176-G179 PolarHBondContact O-N 3.18Å; A176-L181 HydrophobicContact CB-CD1 3.77Å; A176-L181 HydrophobicContact CB-CG 4.33Å; A176-A224 HydrophobicContact CB-CB 4.44Å; A176-Q225 HydrophobicContact CB-CG 4.01Å; A176-I228 HydrophobicContact CB-CG1 4.12Å; A176-R495 PolarHBondContact O-NH1 3.49Å
177E87.1Confident92.6Very high116 Ų11646.3 Ų46.354%0.54224%0.238SC..Hα-helixtrans-61.8-40.8174.1-170.3173.3-161.600111.3T173 E174 G179 I228 R495T173-E177 WeakPolarHBondContact O-CB 2.87Å; T173-E177 PolarHBondContact O-N 2.9Å; E174-E177 WeakPolarHBondContact O-CB 3.43Å; E174-E177 PolarHBondContact O-N 3.3Å; E177-G179 VanDerWaalsContact C-N 3.26Å; E177-G179 PolarHBondContact O-N 2.79Å; E177-I228 HydrophobicContact CB-CG2 4.45Å; E177-R495 PolarHBondContact O-NH1 3.35Å
178Q88.4Confident93.2Very high67 Ų6747.4 Ų47.431%0.31325%0.248SC..THydrogen-bonded Turntrans-77.2-2.7176.7-65.9170.97.900114.2E174 R175 A176 K180E174-Q178 VanDerWaalsContact CG-NE2 3.34Å; E174-Q178 WeakPolarHBondContact O-CB 3.36Å; E174-Q178 VanDerWaalsContact O-CG 3.26Å; E174-Q178 WeakPolarHBondContact O-CG 3.47Å; E174-Q178 PolarHBondContact O-N 3.18Å; E174-Q178 PolarHBondContact OE1-NE2 3.48Å; R175-Q178 CarbonylContact O-C 2.95Å; R175-Q178 PolarHBondContact O-N 3.48Å; A176-Q178 VanDerWaalsContact C-N 3.3Å; A176-Q178 PolarHBondContact O-N 2.75Å; Q178-K180 HydrophobicContact CB-CD 4.1Å; Q178-K180 HydrophobicContact CB-CG 3.98Å; Q178-K180 PolarHBondContact O-N 2.82Å
179G87.3Confident93.4Very high18 Ų1852 Ų5219%0.18627%0.27CS..THydrogen-bonded Turntrans71.313.8-17800000114.9R175 A176 E177 R360R175-G179 PolarHBondContact O-N 2.56Å; R175-G179 VanDerWaalsContact O-N 3.13Å; A176-G179 PolarHBondContact O-N 3.18Å; E177-G179 VanDerWaalsContact C-N 3.26Å; E177-G179 PolarHBondContact O-N 2.79Å; G179-R360 PolarHBondContact O-NH2 3.42Å
180K90.3Very high93.5Very high119 Ų11952.8 Ų52.852%0.51727%0.272SS..  trans-86.5-4.9-174.7-67.4-179.9178.4167.30115.1R175 Q178R175-K180 HydrophobicContact CB-CB 4.27Å; R175-K180 PolarHBondContact NH2-O 2.9Å; R175-K180 PolarHBondContact O-N 3.18Å; Q178-K180 HydrophobicContact CB-CD 4.1Å; Q178-K180 HydrophobicContact CB-CG 3.98Å; Q178-K180 PolarHBondContact O-N 2.82Å
181L94.2Very high93.6Very high6 Ų649.7 Ų49.73%0.03126%0.256CS..SBendtrans-90.4147174.9-62.5-170.7000109.9L172 R175 A176 E221 A224 Q225 R360L172-L181 HydrophobicContact CB-CD1 4.42Å; L172-L181 HydrophobicContact CD2-CD2 4.34Å; L172-L181 WeakPolarHBondContact O-CD1 3.37Å; R175-L181 HydrophobicContact CB-CD2 3.56Å; R175-L181 HydrophobicContact CB-CG 3.83Å; R175-L181 HydrophobicContact CG-CD2 4.45Å; A176-L181 HydrophobicContact CB-CD1 3.77Å; A176-L181 HydrophobicContact CB-CG 4.33Å; L181-E221 HydrophobicContact CD1-CB 3.84Å; L181-E221 HydrophobicContact CD1-CG 4.04Å; L181-E221 HydrophobicContact CD2-CG 4.19Å; L181-A224 HydrophobicContact CD1-CB 4.33Å; L181-Q225 HydrophobicContact CD1-CG 4.45Å; L181-R360 VanDerWaalsContact O-CZ 3.3Å; L181-R360 PolarHBondContact O-NH1 3.4Å; L181-R360 PolarHBondContact O-NH2 3.11Å
182D94.1Very high93.7Very high61 Ų6155 Ų5533%0.32628%0.275SS..PPolyproline II helixtrans-68.5147.8177.2-73-25.5000111.3V184 Q225 L357 R360D182-V184 PolarHBondContact O-N 3.34Å; D182-Q225 PolarHBondContact O-NE2 3.31Å; D182-L357 HydrophobicContact CB-CD2 3.73Å; D182-R360 VanDerWaalsContact CA-NH1 3.29Å; D182-R360 WeakPolarHBondContact OD1-CD 3.21Å; D182-R360 IonicContact OD1-CZ 2.6Å; D182-R360 IonicContact OD1-NE 2.99Å; D182-R360 IonicContact OD1-NH1 2.7Å; D182-R360 PolarHBondContact OD1-NH1 2.82Å
183P92.8Very high93.7Very high52 Ų5259.2 Ų59.234%0.33829%0.29SS..PPolyproline II helixtrans-62.8137.5173.727.5-34000109.6I185 G356 L357P183-I185 HydrophobicContact CB-CD1 4.24Å; P183-I185 HydrophobicContact CG-CD1 4.19Å; P183-I185 WeakPolarHBondContact O-CD1 3.32Å; P183-G356 WeakPolarHBondContact CG-O 3.35Å; P183-L357 HydrophobicContact CG-CD2 4.45Å
184V95.5Very high93.9Very high35 Ų3559 Ų5921%0.21229%0.289CS..  trans-99.4111.7179.8-175.20000109.4D182 R187 I191 A218D182-V184 PolarHBondContact O-N 3.34Å; V184-R187 HydrophobicContact CG1-CB 3.98Å; V184-R187 HydrophobicContact CG1-CG 4.28Å; V184-I191 HydrophobicContact CG1-CD1 4.06Å; V184-A218 HydrophobicContact CG1-CB 4.49Å; V184-A218 VanDerWaalsContact CG2-O 3.24Å; V184-A218 WeakPolarHBondContact CG2-O 3.2Å
185I94Very high94.1Very high47 Ų4755 Ų5524%0.24127%0.27CS..  trans-104.5132.7-179.1-55.996.3000109.7P183 A352 I353P183-I185 HydrophobicContact CB-CD1 4.24Å; P183-I185 HydrophobicContact CG-CD1 4.19Å; P183-I185 WeakPolarHBondContact O-CD1 3.32Å; I185-A352 HydrophobicContact CG2-CB 3.94Å; I185-I353 HydrophobicContact CB-CG1 3.94Å; I185-I353 HydrophobicContact CG2-CG1 4.32Å
186G89Confident94.1Very high42 Ų4255.7 Ų55.743%0.43328%0.278SS..SBendtrans75.423.7167.300000116.5
187R95.5Very high94.3Very high16 Ų1655.6 Ų55.66%0.0628%0.277CS..  trans-124.525.2-179.2-63.5-62.6-171.7-175.8-1.6114.4V184 E189 E190 I191 V214 I219 A343V184-R187 HydrophobicContact CG1-CB 3.98Å; V184-R187 HydrophobicContact CG1-CG 4.28Å; R187-E189 VanDerWaalsContact C-N 3.33Å; R187-E189 PolarHBondContact O-N 2.76Å; R187-E190 WeakPolarHBondContact CA-OE2 3.44Å; R187-E190 WeakPolarHBondContact CD-OE1 3.27Å; R187-E190 IonicContact CZ-OE1 3.53Å; R187-E190 IonicContact NH1-OE1 2.76Å; R187-E190 PolarHBondContact NH1-OE1 3.07Å; R187-E190 PolarHBondContact O-N 3.49Å; R187-I191 HydrophobicContact CB-CD1 4.3Å; R187-I191 HydrophobicContact CB-CG1 4.49Å; R187-I191 WeakPolarHBondContact O-CD1 3.29Å; R187-I191 VanDerWaalsContact O-CG1 3.22Å; R187-I191 WeakPolarHBondContact O-CG1 3.36Å; R187-I191 PolarHBondContact O-N 3.22Å; R187-V214 PolarHBondContact NH2-O 3.23Å; R187-I219 HydrophobicContact CB-CG1 4.08Å; R187-I219 HydrophobicContact CG-CG1 4.17Å; R187-A343 PolarHBondContact NH1-O 3.4Å; R187-A343 PolarHBondContact NH2-O 2.84Å
188D95.5Very high94.8Very high91 Ų9150.2 Ų50.249%0.48725%0.252SS..Hα-helixtrans-64.3-37-171-67.2-69.9000113.7R192 R226D188-R192 WeakPolarHBondContact O-CB 3.41Å; D188-R192 PolarHBondContact O-N 3.21Å; D188-R226 VanDerWaalsContact CA-NH2 3.32Å; D188-R226 IonicContact OD1-CZ 3.19Å; D188-R226 IonicContact OD1-NH2 2.69Å; D188-R226 PolarHBondContact OD1-NH2 2.89Å
189E95.8Very high95Very high113 Ų11351.5 Ų51.553%0.52826%0.258SS..Hα-helixtrans-72.2-42.3179.5-68.4-55138.400111.4R187 R192 R193R187-E189 VanDerWaalsContact C-N 3.33Å; R187-E189 PolarHBondContact O-N 2.76Å; E189-R192 PolarHBondContact O-N 2.76Å; E189-R192 IonicContact OE1-CZ 2.67Å; E189-R192 IonicContact OE1-NH1 3.9Å; E189-R192 PolarHBondContact OE1-NH1 2.74Å; E189-R192 IonicContact OE1-NH2 2.88Å; E189-R192 IonicContact OE2-CZ 3.93Å; E189-R192 IonicContact OE2-NH1 3.31Å; E189-R192 PolarHBondContact OE2-NH1 2.87Å; E189-R193 WeakPolarHBondContact O-CB 3.5Å; E189-R193 PolarHBondContact O-N 2.95Å
190E97.9Very high95.3Very high32 Ų3255 Ų5515%0.1527%0.266CS..Hα-helixtrans-66.1-42.4177.1-61.692.1147.100111.4R187 R193 T194 I219R187-E190 WeakPolarHBondContact CA-OE2 3.44Å; R187-E190 WeakPolarHBondContact CD-OE1 3.27Å; R187-E190 IonicContact CZ-OE1 3.53Å; R187-E190 IonicContact NH1-OE1 2.76Å; R187-E190 PolarHBondContact NH1-OE1 3.07Å; R187-E190 PolarHBondContact O-N 3.49Å; E190-R193 PolarHBondContact O-N 2.97Å; E190-T194 WeakPolarHBondContact O-CB 3.44Å; E190-T194 PolarHBondContact O-N 3.39Å; E190-T194 PolarHBondContact O-OG1 2.77Å; E190-I219 HydrophobicContact CB-CD1 3.67Å; E190-I219 HydrophobicContact CB-CG1 4.14Å; E190-I219 HydrophobicContact CB-CG2 4.42Å; E190-I219 HydrophobicContact CG-CD1 4.13Å
191I98.3Very high95.2Very high5 Ų561 Ų613%0.02629%0.285CS..Hα-helixtrans-64-46.6174.5-62.7164.9000109.9V184 R187 R193 T194 I195 I219 R226V184-I191 HydrophobicContact CG1-CD1 4.06Å; R187-I191 HydrophobicContact CB-CD1 4.3Å; R187-I191 HydrophobicContact CB-CG1 4.49Å; R187-I191 WeakPolarHBondContact O-CD1 3.29Å; R187-I191 VanDerWaalsContact O-CG1 3.22Å; R187-I191 WeakPolarHBondContact O-CG1 3.36Å; R187-I191 PolarHBondContact O-N 3.22Å; I191-R193 VanDerWaalsContact C-N 3.31Å; I191-R193 PolarHBondContact O-N 3.2Å; I191-T194 WeakPolarHBondContact O-CB 3.3Å; I191-T194 PolarHBondContact O-N 3.11Å; I191-I195 HydrophobicContact CG2-CD1 3.92Å; I191-I195 WeakPolarHBondContact O-CG1 3.49Å; I191-I195 PolarHBondContact O-N 3.37Å; I191-I219 HydrophobicContact CG1-CB 4.43Å; I191-I219 HydrophobicContact CG1-CG2 3.9Å; I191-R226 HydrophobicContact CG2-CG 4.49Å
192R97.7Very high95Very high133 Ų13365.1 Ų65.150%0.50231%0.31SS..Hα-helixtrans-60-42.6177.3-174.7-171.9-62.1147.64.8111.2D188 E189 I195 Q196D188-R192 WeakPolarHBondContact O-CB 3.41Å; D188-R192 PolarHBondContact O-N 3.21Å; E189-R192 PolarHBondContact O-N 2.76Å; E189-R192 IonicContact OE1-CZ 2.67Å; E189-R192 IonicContact OE1-NH1 3.9Å; E189-R192 PolarHBondContact OE1-NH1 2.74Å; E189-R192 IonicContact OE1-NH2 2.88Å; E189-R192 IonicContact OE2-CZ 3.93Å; E189-R192 IonicContact OE2-NH1 3.31Å; E189-R192 PolarHBondContact OE2-NH1 2.87Å; R192-I195 PolarHBondContact O-N 3.36Å; R192-Q196 WeakPolarHBondContact O-CB 3.43Å; R192-Q196 PolarHBondContact O-N 3.39Å
193R97.7Very high94.8Very high94 Ų9464.8 Ų64.836%0.35531%0.306SS..Hα-helixtrans-64-41.9177.3-18056.5178.7-179-3.6111.2E189 E190 I191 Q196 V197 V340E189-R193 WeakPolarHBondContact O-CB 3.5Å; E189-R193 PolarHBondContact O-N 2.95Å; E190-R193 PolarHBondContact O-N 2.97Å; I191-R193 VanDerWaalsContact C-N 3.31Å; I191-R193 PolarHBondContact O-N 3.2Å; R193-Q196 WeakPolarHBondContact O-CB 3.27Å; R193-Q196 PolarHBondContact O-N 2.94Å; R193-V197 WeakPolarHBondContact O-CG2 3.5Å; R193-V197 PolarHBondContact O-N 3.28Å; R193-V340 HydrophobicContact CB-CG1 4.29Å; R193-V340 HydrophobicContact CG-CG1 3.93Å; R193-V340 HydrophobicContact CG-CG2 3.97Å
194T98.5Very high94.8Very high0 Ų064.1 Ų64.10%030%0.3CS..Hα-helixtrans-58.8-49.7174.8-58.80000110.4E190 I191 Q196 V197 L198 P206 L223 V315E190-T194 WeakPolarHBondContact O-CB 3.44Å; E190-T194 PolarHBondContact O-N 3.39Å; E190-T194 PolarHBondContact O-OG1 2.77Å; I191-T194 WeakPolarHBondContact O-CB 3.3Å; I191-T194 PolarHBondContact O-N 3.11Å; T194-Q196 VanDerWaalsContact C-N 3.32Å; T194-Q196 PolarHBondContact O-N 2.69Å; T194-V197 PolarHBondContact O-N 2.85Å; T194-V197 VanDerWaalsContact O-N 3.15Å; T194-L198 HydrophobicContact CG2-CD1 4.09Å; T194-L198 VanDerWaalsContact O-CG 3.27Å; T194-L198 WeakPolarHBondContact O-CG 3.26Å; T194-L198 PolarHBondContact O-N 2.64Å; T194-P206 HydrophobicContact CG2-CB 4.16Å; T194-P206 HydrophobicContact CG2-CG 3.67Å; T194-L223 HydrophobicContact CG2-CD2 4.31Å; T194-V315 HydrophobicContact CG2-CG1 4.45Å; T194-V315 HydrophobicContact CG2-CG2 4.21Å
195I98Very high94.9Very high11 Ų1162.5 Ų62.56%0.05629%0.29CS..Hα-helixtrans-57.8-42.3174.9-67.6163000112I191 R192 V197 L198 Q199 L223 V232 P233 L236I191-I195 HydrophobicContact CG2-CD1 3.92Å; I191-I195 WeakPolarHBondContact O-CG1 3.49Å; I191-I195 PolarHBondContact O-N 3.37Å; R192-I195 PolarHBondContact O-N 3.36Å; I195-V197 VanDerWaalsContact C-N 3.35Å; I195-V197 PolarHBondContact O-N 2.97Å; I195-L198 PolarHBondContact O-N 3.12Å; I195-Q199 PolarHBondContact O-N 3.33Å; I195-Q199 PolarHBondContact O-NE2 2.93Å; I195-L223 HydrophobicContact CD1-CD1 4.19Å; I195-L223 HydrophobicContact CG1-CD1 3.54Å; I195-V232 HydrophobicContact CD1-CG1 3.91Å; I195-V232 HydrophobicContact CG1-CG1 4.41Å; I195-P233 HydrophobicContact CG2-CG 4.29Å; I195-L236 HydrophobicContact CB-CD1 4.19Å; I195-L236 HydrophobicContact CG1-CD1 4.28Å; I195-L236 HydrophobicContact CG2-CD1 3.59Å
196Q96.5Very high95.1Very high109 Ų10960.2 Ų60.251%0.50928%0.278SS..Hα-helixtrans-62.7-42.5177.6-172.7-171.922.800111.5R192 R193 T194R192-Q196 WeakPolarHBondContact O-CB 3.43Å; R192-Q196 PolarHBondContact O-N 3.39Å; R193-Q196 WeakPolarHBondContact O-CB 3.27Å; R193-Q196 PolarHBondContact O-N 2.94Å; T194-Q196 VanDerWaalsContact C-N 3.32Å; T194-Q196 PolarHBondContact O-N 2.69Å
197V97.2Very high95.5Very high0 Ų058.2 Ų58.20%026%0.258CS..Hα-helixtrans-65.7-46.1177.9172.90000110.9R193 T194 I195 Q199 R200 K203 N204 P206 Q338 V340R193-V197 WeakPolarHBondContact O-CG2 3.5Å; R193-V197 PolarHBondContact O-N 3.28Å; T194-V197 PolarHBondContact O-N 2.85Å; T194-V197 VanDerWaalsContact O-N 3.15Å; I195-V197 VanDerWaalsContact C-N 3.35Å; I195-V197 PolarHBondContact O-N 2.97Å; V197-Q199 PolarHBondContact O-N 3.46Å; V197-Q199 VanDerWaalsContact O-N 3.13Å; V197-R200 WeakPolarHBondContact O-CB 3.28Å; V197-R200 WeakPolarHBondContact O-CG 3.38Å; V197-R200 PolarHBondContact O-N 3.02Å; V197-K203 WeakPolarHBondContact CG1-O 3.43Å; V197-N204 WeakPolarHBondContact O-CA 3.41Å; V197-P206 HydrophobicContact CB-CB 4.02Å; V197-P206 HydrophobicContact CB-CG 4.49Å; V197-P206 HydrophobicContact CG1-CB 3.76Å; V197-P206 HydrophobicContact CG1-CG 4.23Å; V197-Q338 HydrophobicContact CG1-CB 3.64Å; V197-Q338 HydrophobicContact CG1-CG 4.02Å; V197-Q338 HydrophobicContact CG2-CB 4.25Å; V197-Q338 HydrophobicContact CG2-CG 3.67Å; V197-V340 HydrophobicContact CG2-CG2 4.23Å
198L95.8Very high95.7Very high4 Ų457.5 Ų57.52%0.02126%0.255CS..Hα-helixtrans-55.8-30.8-179.7-72.5169.1000113T194 I195 N204 P206 L223 L236 I278 H313 V315T194-L198 HydrophobicContact CG2-CD1 4.09Å; T194-L198 VanDerWaalsContact O-CG 3.27Å; T194-L198 WeakPolarHBondContact O-CG 3.26Å; T194-L198 PolarHBondContact O-N 2.64Å; I195-L198 PolarHBondContact O-N 3.12Å; L198-N204 WeakPolarHBondContact CA-O 3.48Å; L198-P206 VanDerWaalsContact CD2-CD 3.4Å; L198-P206 HydrophobicContact CD2-CG 3.81Å; L198-P206 HydrophobicContact CG-CG 3.94Å; L198-L223 HydrophobicContact CD1-CD1 4.28Å; L198-L223 HydrophobicContact CD1-CD2 3.72Å; L198-L236 HydrophobicContact CB-CD1 4.29Å; L198-L236 HydrophobicContact CB-CD2 4.2Å; L198-L236 HydrophobicContact CD1-CD1 4.45Å; L198-I278 HydrophobicContact CD1-CD1 4.13Å; L198-I278 HydrophobicContact CD2-CG2 4.28Å; L198-H313 WeakPolarHBondContact CD2-CE1 3.41Å; L198-H313 WeakPolarHBondContact CD2-ND1 3.25Å; L198-H313 PolarHBondContact O-CE1 2.86Å; L198-H313 VanDerWaalsContact O-CE1 3.31Å; L198-H313 PolarHBondContact O-NE2 2.87Å; L198-V315 HydrophobicContact CD1-CG2 4.46Å; L198-V315 HydrophobicContact CD2-CG2 4.11Å
199Q93.1Very high95.7Very high94 Ų9453.3 Ų53.344%0.43923%0.232SC..THydrogen-bonded Turntrans-85.1-3178.7-73.7179.484.700115I195 V197 P233 L236I195-Q199 PolarHBondContact O-N 3.33Å; I195-Q199 PolarHBondContact O-NE2 2.93Å; V197-Q199 PolarHBondContact O-N 3.46Å; V197-Q199 VanDerWaalsContact O-N 3.13Å; Q199-P233 VanDerWaalsContact OE1-CB 3.28Å; Q199-L236 HydrophobicContact CG-CD1 4.22Å; Q199-L236 HydrophobicContact CG-CG 4.15Å
200R92.8Very high95.7Very high92 Ų9248.1 Ų48.135%0.34721%0.209SC..  trans-68.6154.6179.3-65.5177.267.6-178.63.9111V197 T202 N204V197-R200 WeakPolarHBondContact O-CB 3.28Å; V197-R200 WeakPolarHBondContact O-CG 3.38Å; V197-R200 PolarHBondContact O-N 3.02Å; R200-T202 VanDerWaalsContact CB-O 3.24Å; R200-T202 WeakPolarHBondContact CB-O 3.45Å; R200-T202 PolarHBondContact NE-O 3.11Å; R200-N204 HydrophobicContact CB-CB 4.13Å; R200-N204 WeakPolarHBondContact O-CB 3.27Å
201R88.6Confident95.5Very high243 Ų24349.5 Ų49.592%0.91722%0.216SC*.SBendtrans-76.1-28.7171.4-172176.3174.6-165.9-1113.1
202T89.8Confident95.4Very high93 Ų9352.8 Ų52.857%0.57124%0.238SC*.SBendtrans-139.8155.3177.857.70000109.5R200 N204R200-T202 VanDerWaalsContact CB-O 3.24Å; R200-T202 WeakPolarHBondContact CB-O 3.45Å; R200-T202 PolarHBondContact NE-O 3.11Å; T202-N204 PolarHBondContact O-N 3.12Å
203K91.3Very high95.3Very high55 Ų5547.7 Ų47.724%0.23923%0.226CC..SBendtrans48.350-170-62.5-165.1178.5-146.70111.5V197 E334 R335 R336 Q338V197-K203 WeakPolarHBondContact CG1-O 3.43Å; K203-E334 WeakPolarHBondContact CE-O 3.23Å; K203-E334 PolarHBondContact NZ-O 3.14Å; K203-E334 IonicContact NZ-OE1 3.48Å; K203-E334 PolarHBondContact NZ-OE1 3.33Å; K203-R335 WeakPolarHBondContact CG-O 3.18Å; K203-R336 CarbonylContact C-O 3.55Å; K203-R336 WeakPolarHBondContact CA-O 3.43Å; K203-Q338 HydrophobicContact CB-CB 4.16Å; K203-Q338 WeakPolarHBondContact O-CB 3.39Å
204N93.3Very high95.2Very high37 Ų3743.3 Ų43.320%0.19821%0.21CC..  trans-97.85.2-170.365.3-28.8000114.1V197 L198 R200 T202 P206 R336V197-N204 WeakPolarHBondContact O-CA 3.41Å; L198-N204 WeakPolarHBondContact CA-O 3.48Å; R200-N204 HydrophobicContact CB-CB 4.13Å; R200-N204 WeakPolarHBondContact O-CB 3.27Å; T202-N204 PolarHBondContact O-N 3.12Å; N204-P206 WeakPolarHBondContact O-CD 3.21Å; N204-R336 PolarHBondContact N-O 2.85Å
205N96.4Very high95.1Very high1 Ų144.3 Ų44.31%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-103.8106.5172.9-57.1-74.1000108.2H313 C314 R336 F337 Q338N205-H313 WeakPolarHBondContact OD1-CA 2.94Å; N205-C314 WeakPolarHBondContact CA-O 3.47Å; N205-C314 WeakPolarHBondContact CB-O 3.22Å; N205-C314 PolarHBondContact OD1-N 3.3Å; N205-R336 PolarHBondContact N-O 2.92Å; N205-R336 PolarHBondContact ND2-O 2.92Å; N205-F337 HydrophobicContact CB-CD1 3.45Å; N205-F337 VanDerWaalsContact CB-CD1 3.45Å; N205-F337 HydrophobicContact CB-CE1 3.54Å; N205-F337 HydrophobicContact CB-CG 4.39Å; N205-F337 CarbonylContact O-C 3.46Å; N205-F337 VanDerWaalsContact O-CA 3.22Å; N205-F337 WeakPolarHBondContact O-CA 3.32Å; N205-F337 WeakPolarHBondContact O-CD1 3.32Å; N205-Q338 PolarHBondContact O-N 3.39Å
206P98.2Very high95.1Very high0 Ų044.8 Ų44.80%022%0.222CC..EExtended strand (participates in β ladder)trans-68.7143.5176.227-33.6000111.4T194 V197 L198 N204 C314 V315 G316 Q338 V340T194-P206 HydrophobicContact CG2-CB 4.16Å; T194-P206 HydrophobicContact CG2-CG 3.67Å; V197-P206 HydrophobicContact CB-CB 4.02Å; V197-P206 HydrophobicContact CB-CG 4.49Å; V197-P206 HydrophobicContact CG1-CB 3.76Å; V197-P206 HydrophobicContact CG1-CG 4.23Å; L198-P206 VanDerWaalsContact CD2-CD 3.4Å; L198-P206 HydrophobicContact CD2-CG 3.81Å; L198-P206 HydrophobicContact CG-CG 3.94Å; N204-P206 WeakPolarHBondContact O-CD 3.21Å; P206-C314 WeakPolarHBondContact CD-O 3.13Å; P206-V315 HydrophobicContact CG-CB 4.27Å; P206-V315 HydrophobicContact CG-CG1 4.14Å; P206-V315 HydrophobicContact CG-CG2 3.82Å; P206-V315 WeakPolarHBondContact O-CA 3.44Å; P206-G316 PolarHBondContact O-N 3.46Å; P206-Q338 CarbonylContact C-O 3.51Å; P206-Q338 VanDerWaalsContact CA-O 3.3Å; P206-Q338 WeakPolarHBondContact CA-O 3.39Å; P206-V340 HydrophobicContact CB-CG2 3.92Å
207V98Very high95.2Very high0 Ų042.3 Ų42.30%021%0.214CC..EExtended strand (participates in β ladder)trans-118.3114.5167.3-174.70000108.1I209 L284 G316 T318 Y323 F337 Q338 V340V207-I209 HydrophobicContact CG1-CG1 4.1Å; V207-I209 PolarHBondContact O-N 3.08Å; V207-L284 HydrophobicContact CG1-CD2 4.45Å; V207-L284 HydrophobicContact CG2-CD2 3.94Å; V207-G316 CarbonylContact C-O 3.54Å; V207-G316 WeakPolarHBondContact CA-O 3.41Å; V207-T318 HydrophobicContact CG1-CG2 3.69Å; V207-Y323 HydrophobicContact CB-CD2 4.3Å; V207-Y323 HydrophobicContact CB-CE2 4.04Å; V207-Y323 HydrophobicContact CG1-CD2 3.88Å; V207-Y323 HydrophobicContact CG1-CE2 4.13Å; V207-Y323 HydrophobicContact CG2-CE2 4.12Å; V207-F337 HydrophobicContact CG2-CB 3.71Å; V207-F337 HydrophobicContact CG2-CD1 3.25Å; V207-F337 HydrophobicContact CG2-CE1 4.03Å; V207-F337 HydrophobicContact CG2-CG 3.64Å; V207-Q338 PolarHBondContact N-O 2.95Å; V207-V340 PolarHBondContact O-N 3.24Å
208L98.6Very high95.2Very high0 Ų043.8 Ų43.80%023%0.227CC..EExtended strand (participates in β ladder)trans-72.9109.4173.1-56.9-179.3000108.2K216 I219 V220 V315 G316 A317 T318 V340 V342L208-K216 HydrophobicContact CB-CB 4.33Å; L208-K216 HydrophobicContact CB-CD 4.31Å; L208-K216 HydrophobicContact CB-CG 4.3Å; L208-K216 HydrophobicContact CD1-CB 4.31Å; L208-K216 VanDerWaalsContact CD1-O 3.27Å; L208-K216 WeakPolarHBondContact CD1-O 3.25Å; L208-I219 HydrophobicContact CD1-CB 4.04Å; L208-I219 HydrophobicContact CD1-CG2 4.03Å; L208-I219 HydrophobicContact CD2-CD1 4.47Å; L208-I219 HydrophobicContact CD2-CG2 4.05Å; L208-V220 HydrophobicContact CD1-CG2 3.7Å; L208-V315 HydrophobicContact CD1-CG1 4.06Å; L208-V315 HydrophobicContact CG-CG1 3.99Å; L208-G316 PolarHBondContact N-O 2.9Å; L208-A317 HydrophobicContact CB-CB 4.35Å; L208-A317 WeakPolarHBondContact O-CA 3.5Å; L208-T318 PolarHBondContact O-N 3.44Å; L208-T318 VanDerWaalsContact O-N 3.1Å; L208-V340 CarbonylContact C-O 3.23Å; L208-V340 WeakPolarHBondContact CA-O 3.25Å; L208-V340 HydrophobicContact CD2-CB 4.02Å; L208-V340 HydrophobicContact CD2-CG1 4Å; L208-V342 HydrophobicContact CB-CG2 4.06Å; L208-V342 HydrophobicContact CD2-CG2 4.18Å
209I97.1Very high95.3Very high3 Ų343.6 Ų43.62%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-106.9119.1-178.4-58.3-177.7000108.7V207 T318 L320 Y323 K339 V340 F341 V342V207-I209 HydrophobicContact CG1-CG1 4.1Å; V207-I209 PolarHBondContact O-N 3.08Å; I209-T318 WeakPolarHBondContact CA-O 3.17Å; I209-L320 VanDerWaalsContact CG2-CA 3.47Å; I209-L320 HydrophobicContact CG2-CB 3.77Å; I209-L320 HydrophobicContact CG2-CD1 3.89Å; I209-L320 HydrophobicContact CG2-CG 4.46Å; I209-Y323 HydrophobicContact CD1-CD1 3.67Å; I209-Y323 HydrophobicContact CD1-CD2 3.64Å; I209-Y323 HydrophobicContact CD1-CE1 4.05Å; I209-Y323 HydrophobicContact CD1-CE2 4.03Å; I209-Y323 HydrophobicContact CD1-CG 3.44Å; I209-Y323 VanDerWaalsContact CD1-CG 3.44Å; I209-Y323 HydrophobicContact CG1-CD2 4.19Å; I209-Y323 HydrophobicContact CG1-CG 4.25Å; I209-K339 HydrophobicContact CD1-CB 3.49Å; I209-K339 VanDerWaalsContact CD1-CB 3.49Å; I209-K339 HydrophobicContact CG1-CB 4.34Å; I209-V340 PolarHBondContact N-O 3.18Å; I209-F341 CarbonylContact O-C 3.59Å; I209-F341 WeakPolarHBondContact O-CA 3.39Å; I209-V342 PolarHBondContact O-N 2.98Å
210G95Very high95.5Very high4 Ų439.1 Ų39.14%0.04121%0.205CC..  trans-175.1164.9175.800000110.5K216 T318G210-K216 PolarHBondContact O-NZ 2.89Å; G210-T318 PolarHBondContact N-O 3.22Å
211E94.2Very high95.8Very high61 Ų6136.2 Ų36.229%0.28520%0.195SC..  trans-60159.9176.4-59.4-57.415400111.3V214 K216 Q389 R671E211-V214 HydrophobicContact CB-CG1 4.07Å; E211-V214 VanDerWaalsContact O-CG2 3.26Å; E211-V214 WeakPolarHBondContact O-CG2 3.46Å; E211-K216 PolarHBondContact O-NZ 3.38Å; E211-Q389 HydrophobicContact CB-CG 3.79Å; E211-Q389 HydrophobicContact CG-CG 4.3Å; E211-R671 IonicContact OE1-NH2 2.7Å; E211-R671 PolarHBondContact OE1-NH2 3.41Å
212P95.2Very high96.3Very high75 Ų7524.7 Ų24.749%0.48715%0.153SC..THydrogen-bonded Turntrans-54.5148.8169.6-24.836.6000111.8V214 T319 Q389P212-V214 VanDerWaalsContact C-N 3.28Å; P212-V214 PolarHBondContact O-N 3.25Å; P212-T319 HydrophobicContact CG-CG2 4.27Å; P212-Q389 PolarHBondContact O-OE1 2.97Å; P212-Q389 VanDerWaalsContact O-OE1 3.07Å
213G95.7Very high96.7Very high26 Ų2620.3 Ų20.327%0.26813%0.125SC..THydrogen-bonded Turntrans77.7-8.7176.900000116.9G215 P391 D392G213-G215 PolarHBondContact O-N 3.44Å; G213-G215 VanDerWaalsContact O-N 3.14Å; G213-P391 WeakPolarHBondContact O-CD 3.41Å; G213-D392 VanDerWaalsContact CA-CB 3.44Å; G213-D392 VanDerWaalsContact O-CB 3.26Å; G213-D392 WeakPolarHBondContact O-CB 3.02Å
214V97.1Very high97Very high1 Ų117.7 Ų17.71%0.00611%0.114CC..SBendtrans-72-7.2-178-56.10000115.4R187 E211 P212 K216 V342 E344 Q389 L390R187-V214 PolarHBondContact NH2-O 3.23Å; E211-V214 HydrophobicContact CB-CG1 4.07Å; E211-V214 VanDerWaalsContact O-CG2 3.26Å; E211-V214 WeakPolarHBondContact O-CG2 3.46Å; P212-V214 VanDerWaalsContact C-N 3.28Å; P212-V214 PolarHBondContact O-N 3.25Å; V214-K216 HydrophobicContact CG2-CG 3.92Å; V214-V342 HydrophobicContact CB-CG1 4.45Å; V214-V342 HydrophobicContact CG2-CB 4.17Å; V214-V342 HydrophobicContact CG2-CG1 3.69Å; V214-E344 HydrophobicContact CG1-CB 4.24Å; V214-Q389 HydrophobicContact CG1-CB 3.85Å; V214-Q389 HydrophobicContact CG1-CG 4.19Å; V214-L390 WeakPolarHBondContact CA-O 3.2Å
215G96.4Very high97.1Very high22 Ų2217.8 Ų17.823%0.22711%0.113CC..  trans93.834.9-17900000115.2G213 T217 A218 I219G213-G215 PolarHBondContact O-N 3.44Å; G213-G215 VanDerWaalsContact O-N 3.14Å; G215-T217 VanDerWaalsContact C-N 3.35Å; G215-A218 WeakPolarHBondContact O-CB 3.41Å; G215-A218 PolarHBondContact O-N 3.15Å; G215-I219 PolarHBondContact O-N 3.48Å
216K98Very high97.1Very high21 Ų2119.3 Ų19.39%0.09112%0.119CC..Hα-helixtrans-59.2-44.3173.6-63.4-174.6-68.9-91.60111.8L208 G210 E211 V214 A218 I219 A317 V342L208-K216 HydrophobicContact CB-CB 4.33Å; L208-K216 HydrophobicContact CB-CD 4.31Å; L208-K216 HydrophobicContact CB-CG 4.3Å; L208-K216 HydrophobicContact CD1-CB 4.31Å; L208-K216 VanDerWaalsContact CD1-O 3.27Å; L208-K216 WeakPolarHBondContact CD1-O 3.25Å; G210-K216 PolarHBondContact O-NZ 2.89Å; E211-K216 PolarHBondContact O-NZ 3.38Å; V214-K216 HydrophobicContact CG2-CG 3.92Å; K216-A218 VanDerWaalsContact C-N 3.34Å; K216-A218 PolarHBondContact O-N 3.04Å; K216-I219 WeakPolarHBondContact O-CB 3.49Å; K216-I219 PolarHBondContact O-N 3.13Å; K216-A317 HydrophobicContact CB-CB 4.09Å; K216-A317 HydrophobicContact CD-CB 3.99Å; K216-V342 HydrophobicContact CG-CB 4.43Å; K216-V342 HydrophobicContact CG-CG2 4.44Å
217T96.6Very high97Very high56 Ų5619.8 Ų19.834%0.34412%0.121SC..Hα-helixtrans-62.2-40.7177.1-49.40000111.8G215 I219 V220 E221 F280G215-T217 VanDerWaalsContact C-N 3.35Å; T217-I219 VanDerWaalsContact C-N 3.26Å; T217-I219 PolarHBondContact O-N 3.27Å; T217-V220 WeakPolarHBondContact O-CB 3.42Å; T217-V220 PolarHBondContact O-N 3.03Å; T217-E221 PolarHBondContact O-N 2.99Å; T217-F280 HydrophobicContact CG2-CE1 4.26Å
218A97.4Very high96.6Very high32 Ų3222.2 Ų22.226%0.26413%0.134SC..Hα-helixtrans-59.7-34.3177.100000112.6V184 G215 K216 V220 E221 G222V184-A218 HydrophobicContact CG1-CB 4.49Å; V184-A218 VanDerWaalsContact CG2-O 3.24Å; V184-A218 WeakPolarHBondContact CG2-O 3.2Å; G215-A218 WeakPolarHBondContact O-CB 3.41Å; G215-A218 PolarHBondContact O-N 3.15Å; K216-A218 VanDerWaalsContact C-N 3.34Å; K216-A218 PolarHBondContact O-N 3.04Å; A218-V220 VanDerWaalsContact C-N 3.29Å; A218-V220 PolarHBondContact O-N 2.83Å; A218-E221 PolarHBondContact O-N 3.28Å; A218-G222 PolarHBondContact O-N 3.35Å
219I98.4Very high96.2Very high0 Ų025.1 Ų25.10%015%0.149CC..Hα-helixtrans-63.2-37.5174.7-67.9163.3000111.3R187 E190 I191 L208 G215 K216 T217 G222 L223 V342R187-I219 HydrophobicContact CB-CG1 4.08Å; R187-I219 HydrophobicContact CG-CG1 4.17Å; E190-I219 HydrophobicContact CB-CD1 3.67Å; E190-I219 HydrophobicContact CB-CG1 4.14Å; E190-I219 HydrophobicContact CB-CG2 4.42Å; E190-I219 HydrophobicContact CG-CD1 4.13Å; I191-I219 HydrophobicContact CG1-CB 4.43Å; I191-I219 HydrophobicContact CG1-CG2 3.9Å; L208-I219 HydrophobicContact CD1-CB 4.04Å; L208-I219 HydrophobicContact CD1-CG2 4.03Å; L208-I219 HydrophobicContact CD2-CD1 4.47Å; L208-I219 HydrophobicContact CD2-CG2 4.05Å; G215-I219 PolarHBondContact O-N 3.48Å; K216-I219 WeakPolarHBondContact O-CB 3.49Å; K216-I219 PolarHBondContact O-N 3.13Å; T217-I219 VanDerWaalsContact C-N 3.26Å; T217-I219 PolarHBondContact O-N 3.27Å; I219-G222 PolarHBondContact O-N 2.71Å; I219-L223 PolarHBondContact O-N 3.42Å; I219-V342 HydrophobicContact CD1-CB 4.17Å; I219-V342 HydrophobicContact CD1-CG1 3.58Å; I219-V342 HydrophobicContact CD1-CG2 3.45Å; I219-V342 VanDerWaalsContact CD1-CG2 3.45Å
220V98.5Very high95.8Very high0 Ų026.7 Ų26.70%017%0.166CC..Hα-helixtrans-74.8-39.5179.9-1770000111.3L172 L208 T217 A218 G222 L223 A224 V241 F280 V315L172-V220 HydrophobicContact CD1-CG1 3.8Å; L208-V220 HydrophobicContact CD1-CG2 3.7Å; T217-V220 WeakPolarHBondContact O-CB 3.42Å; T217-V220 PolarHBondContact O-N 3.03Å; A218-V220 VanDerWaalsContact C-N 3.29Å; A218-V220 PolarHBondContact O-N 2.83Å; V220-G222 VanDerWaalsContact C-N 3.29Å; V220-G222 PolarHBondContact O-N 3.09Å; V220-L223 WeakPolarHBondContact O-CB 3.43Å; V220-L223 PolarHBondContact O-N 2.98Å; V220-A224 PolarHBondContact O-N 3.39Å; V220-V241 HydrophobicContact CG1-CG1 3.79Å; V220-F280 HydrophobicContact CB-CD2 4.3Å; V220-F280 HydrophobicContact CB-CG 4.3Å; V220-F280 HydrophobicContact CG1-CB 3.75Å; V220-F280 HydrophobicContact CG1-CD1 4.14Å; V220-F280 HydrophobicContact CG1-CD2 4.05Å; V220-F280 HydrophobicContact CG1-CG 3.71Å; V220-F280 HydrophobicContact CG2-CD2 3.59Å; V220-F280 HydrophobicContact CG2-CE2 3.65Å; V220-F280 HydrophobicContact CG2-CG 4.09Å; V220-F280 HydrophobicContact CG2-CZ 4.18Å; V220-V315 HydrophobicContact CG2-CG1 4Å
221E98.3Very high95.7Very high30 Ų3032.1 Ų32.114%0.1419%0.191CC..Hα-helixtrans-61.1-41170.5-69.6-172.9159.800111.3L172 L181 T217 A218 L223 A224 Q225L172-E221 HydrophobicContact CD1-CG 4.37Å; L181-E221 HydrophobicContact CD1-CB 3.84Å; L181-E221 HydrophobicContact CD1-CG 4.04Å; L181-E221 HydrophobicContact CD2-CG 4.19Å; T217-E221 PolarHBondContact O-N 2.99Å; A218-E221 PolarHBondContact O-N 3.28Å; E221-L223 PolarHBondContact O-N 2.86Å; E221-A224 WeakPolarHBondContact O-CB 3.47Å; E221-A224 PolarHBondContact O-N 3.21Å; E221-A224 VanDerWaalsContact O-N 3.15Å; E221-Q225 WeakPolarHBondContact O-CG 3.24Å; E221-Q225 PolarHBondContact O-N 3.08Å
222G97.9Very high95.8Very high2 Ų229.7 Ų29.72%0.02118%0.18CC..Hα-helixtrans-64.3-37.1173.700000112.8A218 I219 V220 Q225 R226A218-G222 PolarHBondContact O-N 3.35Å; I219-G222 PolarHBondContact O-N 2.71Å; V220-G222 VanDerWaalsContact C-N 3.29Å; V220-G222 PolarHBondContact O-N 3.09Å; G222-Q225 PolarHBondContact O-N 2.73Å; G222-R226 WeakPolarHBondContact O-CG 3.42Å; G222-R226 PolarHBondContact O-N 2.95Å
223L98.3Very high95.8Very high0 Ų028.8 Ų28.80%017%0.174CC..Hα-helixtrans-60.3-46.1170172.265.9000111.1T194 I195 L198 I219 V220 E221 R226 I227 V241 V315T194-L223 HydrophobicContact CG2-CD2 4.31Å; I195-L223 HydrophobicContact CD1-CD1 4.19Å; I195-L223 HydrophobicContact CG1-CD1 3.54Å; L198-L223 HydrophobicContact CD1-CD1 4.28Å; L198-L223 HydrophobicContact CD1-CD2 3.72Å; I219-L223 PolarHBondContact O-N 3.42Å; V220-L223 WeakPolarHBondContact O-CB 3.43Å; V220-L223 PolarHBondContact O-N 2.98Å; E221-L223 PolarHBondContact O-N 2.86Å; L223-R226 PolarHBondContact O-N 2.86Å; L223-I227 HydrophobicContact CD1-CD1 3.98Å; L223-I227 HydrophobicContact CD1-CG1 4.25Å; L223-I227 HydrophobicContact CG-CD1 3.96Å; L223-I227 WeakPolarHBondContact O-CG1 3.41Å; L223-I227 PolarHBondContact O-N 3.18Å; L223-V241 HydrophobicContact CD2-CG2 4.45Å; L223-V241 HydrophobicContact CG-CG2 4.4Å; L223-V315 HydrophobicContact CD2-CG2 4.24Å
224A98Very high95.6Very high0 Ų034.3 Ų34.30%019%0.193CC..Hα-helixtrans-61.1-45.5177.700000111.4L172 T173 A176 L181 V220 E221 R226 I227 I228 V241L172-A224 HydrophobicContact CB-CB 3.88Å; T173-A224 HydrophobicContact CG2-CB 4.02Å; A176-A224 HydrophobicContact CB-CB 4.44Å; L181-A224 HydrophobicContact CD1-CB 4.33Å; V220-A224 PolarHBondContact O-N 3.39Å; E221-A224 WeakPolarHBondContact O-CB 3.47Å; E221-A224 PolarHBondContact O-N 3.21Å; E221-A224 VanDerWaalsContact O-N 3.15Å; A224-R226 PolarHBondContact O-N 3.35Å; A224-I227 PolarHBondContact O-N 3.21Å; A224-I228 WeakPolarHBondContact O-CG1 3.42Å; A224-I228 PolarHBondContact O-N 2.82Å; A224-V241 HydrophobicContact CB-CB 4.11Å; A224-V241 HydrophobicContact CB-CG2 4.16Å
225Q95.8Very high95.1Very high40 Ų4036.3 Ų36.319%0.18721%0.214CC..Hα-helixtrans-57.8-46.3174.6-71.7173.42.600112A176 L181 D182 E221 G222 I227 I228 N229A176-Q225 HydrophobicContact CB-CG 4.01Å; L181-Q225 HydrophobicContact CD1-CG 4.45Å; D182-Q225 PolarHBondContact O-NE2 3.31Å; E221-Q225 WeakPolarHBondContact O-CG 3.24Å; E221-Q225 PolarHBondContact O-N 3.08Å; G222-Q225 PolarHBondContact O-N 2.73Å; Q225-I227 PolarHBondContact O-N 2.91Å; Q225-I228 PolarHBondContact O-N 2.81Å; Q225-N229 WeakPolarHBondContact O-CB 3.33Å; Q225-N229 VanDerWaalsContact O-CG 3.23Å; Q225-N229 PolarHBondContact O-N 3.15Å
226R96.1Very high94.9Very high33 Ų3335.3 Ų35.313%0.12520%0.203CC..Hα-helixtrans-65-36.9178.3-73.7-165.8-175.2175.6-0.7113.2D188 I191 G222 L223 A224 N229 G230 E231 V232D188-R226 VanDerWaalsContact CA-NH2 3.32Å; D188-R226 IonicContact OD1-CZ 3.19Å; D188-R226 IonicContact OD1-NH2 2.69Å; D188-R226 PolarHBondContact OD1-NH2 2.89Å; I191-R226 HydrophobicContact CG2-CG 4.49Å; G222-R226 WeakPolarHBondContact O-CG 3.42Å; G222-R226 PolarHBondContact O-N 2.95Å; L223-R226 PolarHBondContact O-N 2.86Å; A224-R226 PolarHBondContact O-N 3.35Å; R226-N229 PolarHBondContact O-N 2.77Å; R226-G230 PolarHBondContact O-N 2.83Å; R226-G230 VanDerWaalsContact O-N 3.12Å; R226-E231 HydrophobicContact CB-CB 4.14Å; R226-E231 HydrophobicContact CG-CB 4.25Å; R226-E231 PolarHBondContact O-N 3.08Å; R226-V232 HydrophobicContact CB-CG1 3.94Å
227I95.5Very high94.6Very high9 Ų938.7 Ų38.75%0.04622%0.218CC..Hα-helixtrans-63.4-47.3175.7-68.1164.5000110.2L223 A224 Q225 N229 G230 V232 R239 V241 I278L223-I227 HydrophobicContact CD1-CD1 3.98Å; L223-I227 HydrophobicContact CD1-CG1 4.25Å; L223-I227 HydrophobicContact CG-CD1 3.96Å; L223-I227 WeakPolarHBondContact O-CG1 3.41Å; L223-I227 PolarHBondContact O-N 3.18Å; A224-I227 PolarHBondContact O-N 3.21Å; Q225-I227 PolarHBondContact O-N 2.91Å; I227-N229 VanDerWaalsContact C-N 3.33Å; I227-N229 PolarHBondContact O-N 2.97Å; I227-G230 PolarHBondContact O-N 3.11Å; I227-G230 VanDerWaalsContact O-N 3.11Å; I227-V232 HydrophobicContact CB-CG2 4.46Å; I227-V232 HydrophobicContact CG1-CG1 3.83Å; I227-V232 HydrophobicContact CG1-CG2 4.12Å; I227-R239 VanDerWaalsContact CG2-O 3.31Å; I227-R239 WeakPolarHBondContact CG2-O 3.45Å; I227-V241 HydrophobicContact CD1-CG2 3.55Å; I227-I278 HydrophobicContact CD1-CD1 4.13Å
228I90.6Very high94Very high51 Ų5139.4 Ų39.426%0.26224%0.237SC..Hα-helixtrans-63.2-38.9177.8-66.6-57.1000111.8T173 A176 E177 A224 Q225 G230T173-I228 HydrophobicContact CG2-CD1 4.19Å; T173-I228 HydrophobicContact CG2-CG1 4.22Å; A176-I228 HydrophobicContact CB-CG1 4.12Å; E177-I228 HydrophobicContact CB-CG2 4.45Å; A224-I228 WeakPolarHBondContact O-CG1 3.42Å; A224-I228 PolarHBondContact O-N 2.82Å; Q225-I228 PolarHBondContact O-N 2.81Å; I228-G230 PolarHBondContact O-N 2.92Å
229N89.6Confident93.7Very high61 Ų6140.3 Ų40.333%0.32623%0.233SC..THydrogen-bonded Turntrans-76.1-3.7177.3-67.3-6.6000113.3Q225 R226 I227 E231 R495Q225-N229 WeakPolarHBondContact O-CB 3.33Å; Q225-N229 VanDerWaalsContact O-CG 3.23Å; Q225-N229 PolarHBondContact O-N 3.15Å; R226-N229 PolarHBondContact O-N 2.77Å; I227-N229 VanDerWaalsContact C-N 3.33Å; I227-N229 PolarHBondContact O-N 2.97Å; N229-E231 HydrophobicContact CB-CG 3.95Å; N229-E231 PolarHBondContact O-N 2.85Å; N229-R495 PolarHBondContact OD1-NE 3.13Å; N229-R495 PolarHBondContact OD1-NH2 3.24Å
230G90.1Very high93.5Very high36 Ų3645 Ų4537%0.37125%0.251SS..THydrogen-bonded Turntrans70.514.8-17700000114.2R226 I227 I228 V232R226-G230 PolarHBondContact O-N 2.83Å; R226-G230 VanDerWaalsContact O-N 3.12Å; I227-G230 PolarHBondContact O-N 3.11Å; I227-G230 VanDerWaalsContact O-N 3.11Å; I228-G230 PolarHBondContact O-N 2.92Å; G230-V232 PolarHBondContact O-N 2.98Å; G230-V232 VanDerWaalsContact O-N 3.12Å
231E92.4Very high93.5Very high118 Ų11845 Ų4555%0.55125%0.251SS*.  trans-84.532.5179.8-64.2173.6-162.500112.1R226 N229R226-E231 HydrophobicContact CB-CB 4.14Å; R226-E231 HydrophobicContact CG-CB 4.25Å; R226-E231 PolarHBondContact O-N 3.08Å; N229-E231 HydrophobicContact CB-CG 3.95Å; N229-E231 PolarHBondContact O-N 2.85Å
232V96.4Very high93.5Very high10 Ų1043.5 Ų43.56%0.06124%0.244CC..SBendtrans-130.8154.2178.6-62.20000110.4I195 R226 I227 G230 L236 K237I195-V232 HydrophobicContact CD1-CG1 3.91Å; I195-V232 HydrophobicContact CG1-CG1 4.41Å; R226-V232 HydrophobicContact CB-CG1 3.94Å; I227-V232 HydrophobicContact CB-CG2 4.46Å; I227-V232 HydrophobicContact CG1-CG1 3.83Å; I227-V232 HydrophobicContact CG1-CG2 4.12Å; G230-V232 PolarHBondContact O-N 2.98Å; G230-V232 VanDerWaalsContact O-N 3.12Å; V232-L236 HydrophobicContact CB-CB 4.06Å; V232-L236 HydrophobicContact CG2-CB 3.92Å; V232-K237 HydrophobicContact CG2-CG 3.95Å; V232-K237 WeakPolarHBondContact O-CE 3.37Å
233P95.4Very high93.5Very high56 Ų5644.1 Ų44.136%0.36425%0.249SC..  trans-62157.3174.8-2942.4000112.6I195 Q199 G235 L236 K237I195-P233 HydrophobicContact CG2-CG 4.29Å; Q199-P233 VanDerWaalsContact OE1-CB 3.28Å; P233-G235 PolarHBondContact O-N 3.4Å; P233-L236 PolarHBondContact O-N 3.45Å; P233-K237 PolarHBondContact O-N 2.91Å
234E90.6Very high93.4Very high143 Ų14344.9 Ų44.967%0.66825%0.253SS*.G310 helixtrans-47.7-39.7-174.9-67.1-58.5137.900113.8L236 K237E234-L236 PolarHBondContact O-N 3.13Å; E234-L236 VanDerWaalsContact O-N 3.1Å; E234-K237 PolarHBondContact O-N 3.2Å; E234-K237 WeakPolarHBondContact OE1-CE 3.34Å; E234-K237 IonicContact OE1-NZ 3.68Å; E234-K237 PolarHBondContact OE1-NZ 3.35Å; E234-K237 IonicContact OE2-NZ 2.98Å
235G87.1Confident93.2Very high43 Ų4347.6 Ų47.644%0.44327%0.267SS..G310 helixtrans-63.8-16.6-179.300000115.2P233 R239P233-G235 PolarHBondContact O-N 3.4Å; G235-R239 VanDerWaalsContact O-CZ 3.24Å; G235-R239 PolarHBondContact O-NE 3.05Å; G235-R239 PolarHBondContact O-NH2 3.01Å
236L92.9Very high92.8Very high1 Ų148 Ų481%0.00527%0.269CS..G310 helixtrans-111.8-6.4178.8-62.2-178.5000113.5I195 L198 Q199 V232 P233 E234 R239 I278I195-L236 HydrophobicContact CB-CD1 4.19Å; I195-L236 HydrophobicContact CG1-CD1 4.28Å; I195-L236 HydrophobicContact CG2-CD1 3.59Å; L198-L236 HydrophobicContact CB-CD1 4.29Å; L198-L236 HydrophobicContact CB-CD2 4.2Å; L198-L236 HydrophobicContact CD1-CD1 4.45Å; Q199-L236 HydrophobicContact CG-CD1 4.22Å; Q199-L236 HydrophobicContact CG-CG 4.15Å; V232-L236 HydrophobicContact CB-CB 4.06Å; V232-L236 HydrophobicContact CG2-CB 3.92Å; P233-L236 PolarHBondContact O-N 3.45Å; E234-L236 PolarHBondContact O-N 3.13Å; E234-L236 VanDerWaalsContact O-N 3.1Å; L236-R239 WeakPolarHBondContact O-CB 3.43Å; L236-R239 PolarHBondContact O-N 3.44Å; L236-I278 HydrophobicContact CD2-CD1 4.32Å
237K89.9Confident92.4Very high91 Ų9148.6 Ų48.640%0.39629%0.286SS..THydrogen-bonded Turntrans-63.9138.7178.9-73.9-172.2176.9175.90110.7V232 P233 E234 R239V232-K237 HydrophobicContact CG2-CG 3.95Å; V232-K237 WeakPolarHBondContact O-CE 3.37Å; P233-K237 PolarHBondContact O-N 2.91Å; E234-K237 PolarHBondContact O-N 3.2Å; E234-K237 WeakPolarHBondContact OE1-CE 3.34Å; E234-K237 IonicContact OE1-NZ 3.68Å; E234-K237 PolarHBondContact OE1-NZ 3.35Å; E234-K237 IonicContact OE2-NZ 2.98Å; K237-R239 PolarHBondContact O-N 3.07Å
238G84Confident92Very high72 Ų7249.3 Ų49.374%0.74229%0.294SS*.THydrogen-bonded Turntrans69.93.617900000115.3
239R92.7Very high91.8Very high50 Ų5046.9 Ų46.919%0.18928%0.281CS..  trans-71.7150.9173.1-66.8-164.8-172.9-155.91.7111I227 G235 L236 K237 G275 N276 I278I227-R239 VanDerWaalsContact CG2-O 3.31Å; I227-R239 WeakPolarHBondContact CG2-O 3.45Å; G235-R239 VanDerWaalsContact O-CZ 3.24Å; G235-R239 PolarHBondContact O-NE 3.05Å; G235-R239 PolarHBondContact O-NH2 3.01Å; L236-R239 WeakPolarHBondContact O-CB 3.43Å; L236-R239 PolarHBondContact O-N 3.44Å; K237-R239 PolarHBondContact O-N 3.07Å; R239-G275 PolarHBondContact NH1-O 3.05Å; R239-N276 CarbonylContact C-O 3.45Å; R239-N276 VanDerWaalsContact CA-O 3.24Å; R239-N276 WeakPolarHBondContact CA-O 3.43Å; R239-N276 WeakPolarHBondContact CB-O 3.21Å; R239-I278 HydrophobicContact CB-CD1 4.36Å
240R94.4Very high91.6Very high98 Ų9847.1 Ų47.137%0.3729%0.285SS..EExtended strand (participates in β ladder)trans-97.6141.8174.5-67.7171.964-154.12.4110.5D171 T173 L242 N276 V277 I278D171-R240 IonicContact OD2-CZ 2.97Å; D171-R240 IonicContact OD2-NE 3Å; D171-R240 PolarHBondContact OD2-NE 3.46Å; D171-R240 IonicContact OD2-NH2 2.66Å; D171-R240 PolarHBondContact OD2-NH2 3.29Å; T173-R240 WeakPolarHBondContact OG1-CA 3.43Å; R240-L242 HydrophobicContact CB-CD2 4.47Å; R240-N276 PolarHBondContact N-O 2.86Å; R240-V277 HydrophobicContact CB-CG2 4.4Å; R240-V277 WeakPolarHBondContact O-CA 3.3Å; R240-I278 PolarHBondContact O-N 2.86Å
241V98.1Very high91.1Very high0 Ų048.3 Ų48.30%029%0.291CS..EExtended strand (participates in β ladder)trans-108.5113.2172.9-175.20000107.9L172 T173 V220 L223 A224 I227 I278L172-V241 HydrophobicContact CB-CB 4.36Å; L172-V241 HydrophobicContact CB-CG1 4.35Å; L172-V241 HydrophobicContact CD1-CG1 4.09Å; L172-V241 PolarHBondContact N-O 2.78Å; T173-V241 HydrophobicContact CG2-CB 4.09Å; T173-V241 HydrophobicContact CG2-CG2 3.97Å; T173-V241 PolarHBondContact OG1-N 3.28Å; T173-V241 VanDerWaalsContact OG1-N 3.11Å; V220-V241 HydrophobicContact CG1-CG1 3.79Å; L223-V241 HydrophobicContact CD2-CG2 4.45Å; L223-V241 HydrophobicContact CG-CG2 4.4Å; A224-V241 HydrophobicContact CB-CB 4.11Å; A224-V241 HydrophobicContact CB-CG2 4.16Å; I227-V241 HydrophobicContact CD1-CG2 3.55Å; V241-I278 WeakPolarHBondContact CA-O 3.26Å; V241-I278 HydrophobicContact CG2-CB 4.48Å; V241-I278 HydrophobicContact CG2-CD1 4.5Å
242L97.8Very high90.1Very high0 Ų045.9 Ų45.90%030%0.297CS..EExtended strand (participates in β ladder)trans-112.5119.5-177.2-60.3-172.5000109.5L165 T169 I170 D171 R240 V277 I278 L279 F280L165-L242 HydrophobicContact CB-CD1 4.49Å; L165-L242 HydrophobicContact CD1-CD1 4.37Å; L165-L242 HydrophobicContact CD2-CD1 3.76Å; L165-L242 HydrophobicContact CG-CD1 4.44Å; T169-L242 HydrophobicContact CG2-CB 4.3Å; I170-L242 CarbonylContact O-C 3Å; I170-L242 WeakPolarHBondContact O-CA 3.45Å; D171-L242 HydrophobicContact CB-CD2 3.66Å; D171-L242 WeakPolarHBondContact OD2-CD2 3.43Å; R240-L242 HydrophobicContact CB-CD2 4.47Å; L242-V277 HydrophobicContact CB-CG1 4.15Å; L242-V277 HydrophobicContact CD1-CG1 3.6Å; L242-V277 HydrophobicContact CD1-CG2 4.28Å; L242-V277 HydrophobicContact CG-CG1 3.73Å; L242-I278 PolarHBondContact N-O 3.39Å; L242-L279 HydrophobicContact CB-CD1 4.36Å; L242-L279 CarbonylContact O-C 3.57Å; L242-L279 WeakPolarHBondContact O-CA 3.4Å; L242-F280 PolarHBondContact O-N 2.98Å
243A98Very high89.2Confident14 Ų1446.6 Ų46.612%0.11630%0.304CS..EExtended strand (participates in β ladder)trans-82.8124.3172.500000109.9T169 I170 L172 D245 F280T169-A243 CarbonylContact C-O 3.45Å; T169-A243 WeakPolarHBondContact CA-O 3.4Å; T169-A243 VanDerWaalsContact CB-O 3.27Å; T169-A243 WeakPolarHBondContact CB-O 3.33Å; I170-A243 HydrophobicContact CB-CB 4.44Å; I170-A243 PolarHBondContact N-O 3.39Å; I170-A243 PolarHBondContact O-N 2.84Å; L172-A243 HydrophobicContact CD1-CB 4.09Å; L172-A243 HydrophobicContact CD2-CB 4.29Å; L172-A243 HydrophobicContact CG-CB 4.08Å; A243-D245 PolarHBondContact O-N 2.83Å; A243-F280 HydrophobicContact CB-CB 4.5Å; A243-F280 HydrophobicContact CB-CD1 3.95Å
244L95.9Very high88Confident17 Ų1752.1 Ų52.19%0.08932%0.323CS..EExtended strand (participates in β ladder)trans-68.7123.1175.9-169.867.5000109.8T169 M246 L249 V266 L279 F280 I281 M287T169-L244 HydrophobicContact CG2-CD1 4.15Å; L244-M246 HydrophobicContact CD2-SD 3.87Å; L244-M246 HydrophobicContact CG-SD 4.35Å; L244-M246 PolarHBondContact O-N 3.36Å; L244-L249 HydrophobicContact CD1-CD1 3.88Å; L244-L249 HydrophobicContact CD2-CD1 4.13Å; L244-L249 HydrophobicContact CG-CD1 4Å; L244-V266 HydrophobicContact CD1-CG1 4.15Å; L244-L279 HydrophobicContact CB-CD1 4.25Å; L244-L279 HydrophobicContact CD1-CD1 4.38Å; L244-F280 WeakPolarHBondContact CB-O 3.34Å; L244-F280 PolarHBondContact N-O 3.41Å; L244-I281 HydrophobicContact CD2-CG1 4.33Å; L244-M287 HydrophobicContact CD2-CE 4.15Å
245D93.4Very high87.3Confident57 Ų5753.3 Ų53.331%0.30532%0.322SS..  trans-9398.2176.3-173.7-19.9000109.5Y168 A243 G247 A248 L249Y168-D245 PolarHBondContact O-N 2.92Å; A243-D245 PolarHBondContact O-N 2.83Å; D245-G247 VanDerWaalsContact C-N 3.27Å; D245-G247 PolarHBondContact O-N 3.38Å; D245-G247 WeakPolarHBondContact OD1-CA 3.37Å; D245-G247 PolarHBondContact OD1-N 3.16Å; D245-A248 HydrophobicContact CB-CB 3.84Å; D245-A248 PolarHBondContact O-N 3.37Å; D245-A248 PolarHBondContact OD1-N 3.28Å; D245-L249 PolarHBondContact O-N 3.03Å; D245-L249 VanDerWaalsContact O-N 3.13Å
246M88.9Confident86.8Confident47 Ų4757.8 Ų57.823%0.23233%0.326CS..Hα-helixtrans-63.3-35177.3-70.2-57.5-64.100112L244 L249 V250 F259 M287 M297L244-M246 HydrophobicContact CD2-SD 3.87Å; L244-M246 HydrophobicContact CG-SD 4.35Å; L244-M246 PolarHBondContact O-N 3.36Å; M246-L249 PolarHBondContact O-N 2.87Å; M246-L249 HydrophobicContact SD-CD1 4.02Å; M246-V250 WeakPolarHBondContact O-CG2 3.47Å; M246-V250 PolarHBondContact O-N 3.26Å; M246-V250 VanDerWaalsContact O-N 3.08Å; M246-F259 HydrophobicContact CE-CE2 3.98Å; M246-F259 HydrophobicContact CE-CZ 4.06Å; M246-M287 HydrophobicContact CE-CG 4.45Å; M246-M287 HydrophobicContact CE-SD 3.51Å; M246-M287 VanDerWaalsContact CE-SD 3.51Å; M246-M287 HydrophobicContact SD-CE 4.33Å; M246-M287 HydrophobicContact SD-CG 4.41Å; M246-M287 HydrophobicContact SD-SD 3.81Å; M246-M297 HydrophobicContact CE-SD 4.04Å
247G87.1Confident86.1Confident46 Ų4659.5 Ų59.547%0.47434%0.344SS..Hα-helixtrans-61.9-46.4176.300000111.3D245 L249 V250 A251D245-G247 VanDerWaalsContact C-N 3.27Å; D245-G247 PolarHBondContact O-N 3.38Å; D245-G247 WeakPolarHBondContact OD1-CA 3.37Å; D245-G247 PolarHBondContact OD1-N 3.16Å; G247-L249 PolarHBondContact O-N 3.05Å; G247-V250 PolarHBondContact O-N 2.9Å; G247-A251 VanDerWaalsContact O-CB 3.23Å; G247-A251 WeakPolarHBondContact O-CB 3.37Å; G247-A251 PolarHBondContact O-N 3.43Å
248A87.6Confident85.7Confident25 Ų2557 Ų5721%0.20733%0.334CS..Hα-helixtrans-64.9-35.7177.400000113.1Y168 D245Y168-A248 HydrophobicContact CD1-CB 4.09Å; Y168-A248 WeakPolarHBondContact CE1-O 3.41Å; D245-A248 HydrophobicContact CB-CB 3.84Å; D245-A248 PolarHBondContact O-N 3.37Å; D245-A248 PolarHBondContact OD1-N 3.28Å
249L85.8Confident85.7Confident0 Ų053.7 Ų53.70%030%0.299CS..Hα-helixtrans-65.5-41.1175.5-77.1172.4000112.2Y168 L244 D245 M246 G247 F259 R262 L263 V266Y168-L249 HydrophobicContact CD1-CD2 3.8Å; Y168-L249 HydrophobicContact CD1-CG 4.21Å; Y168-L249 HydrophobicContact CD2-CD2 3.89Å; Y168-L249 HydrophobicContact CE1-CD2 4.41Å; Y168-L249 HydrophobicContact CG-CD2 3.51Å; Y168-L249 HydrophobicContact CG-CG 4.16Å; L244-L249 HydrophobicContact CD1-CD1 3.88Å; L244-L249 HydrophobicContact CD2-CD1 4.13Å; L244-L249 HydrophobicContact CG-CD1 4Å; D245-L249 PolarHBondContact O-N 3.03Å; D245-L249 VanDerWaalsContact O-N 3.13Å; M246-L249 PolarHBondContact O-N 2.87Å; M246-L249 HydrophobicContact SD-CD1 4.02Å; G247-L249 PolarHBondContact O-N 3.05Å; L249-F259 HydrophobicContact CB-CD2 3.93Å; L249-F259 HydrophobicContact CB-CE2 3.83Å; L249-F259 HydrophobicContact CD1-CE2 4.05Å; L249-R262 HydrophobicContact CD2-CB 3.8Å; L249-R262 WeakPolarHBondContact O-CD 3.07Å; L249-R262 PolarHBondContact O-NH1 2.95Å; L249-L263 HydrophobicContact CD1-CD1 4.46Å; L249-V266 HydrophobicContact CD2-CG2 4.34Å
250V84.4Confident85.4Confident65 Ų6554.5 Ų54.539%0.39431%0.305SS..Hα-helixtrans-79.6-33.5-178.2-179.20000111.6M246 G247 G252 A253 M297M246-V250 WeakPolarHBondContact O-CG2 3.47Å; M246-V250 PolarHBondContact O-N 3.26Å; M246-V250 VanDerWaalsContact O-N 3.08Å; G247-V250 PolarHBondContact O-N 2.9Å; V250-G252 PolarHBondContact O-N 3.38Å; V250-G252 VanDerWaalsContact O-N 3.13Å; V250-A253 WeakPolarHBondContact O-CB 3.42Å; V250-A253 PolarHBondContact O-N 2.98Å; V250-M297 HydrophobicContact CB-CE 4.48Å; V250-M297 HydrophobicContact CG2-CE 3.48Å; V250-M297 VanDerWaalsContact CG2-CE 3.48Å; V250-M297 HydrophobicContact CG2-SD 3.94Å
251A80.6Confident84.9Confident62 Ų6253 Ų5351%0.51230%0.302SS..THydrogen-bonded Turntrans-55.6119.2-174.100000111.9G247 A253 R262G247-A251 VanDerWaalsContact O-CB 3.23Å; G247-A251 WeakPolarHBondContact O-CB 3.37Å; G247-A251 PolarHBondContact O-N 3.43Å; A251-A253 PolarHBondContact O-N 3.4Å; A251-R262 PolarHBondContact O-NH1 2.97Å
252G72.1Confident84.4Confident66 Ų6653.9 Ų53.968%0.6831%0.306SS*.THydrogen-bonded Turntrans71.94.2-177.900000115.7V250 K254V250-G252 PolarHBondContact O-N 3.38Å; V250-G252 VanDerWaalsContact O-N 3.13Å; G252-K254 PolarHBondContact O-N 3.27Å
253A76.3Confident84Confident25 Ų2554 Ų5421%0.20731%0.306CS..  trans-80.2105.517000000109.2V250 A251 E258V250-A253 WeakPolarHBondContact O-CB 3.42Å; V250-A253 PolarHBondContact O-N 2.98Å; A251-A253 PolarHBondContact O-N 3.4Å; A253-E258 WeakPolarHBondContact CA-OE2 3.43Å; A253-E258 HydrophobicContact CB-CB 4.12Å
254K71.3Confident83.5Confident173 Ų17358.5 Ų58.575%0.75232%0.323SS*.  trans-78.6-29.2178.2-69.3-177.4-178.91770111.8G252 E258G252-K254 PolarHBondContact O-N 3.27Å; K254-E258 PolarHBondContact N-OE2 3.34Å
255Y74.5Confident83Confident168 Ų16857.8 Ų57.866%0.65932%0.32SS*.SBendtrans-123145.7-176.6-56.7-72.2000111G257 E258Y255-G257 PolarHBondContact O-N 3.22Å; Y255-G257 VanDerWaalsContact O-N 3.16Å; Y255-E258 PolarHBondContact N-OE2 3.36Å; Y255-E258 WeakPolarHBondContact O-CB 3.46Å; Y255-E258 PolarHBondContact O-N 2.79Å
256R76.2Confident82.9Confident136 Ų13655 Ų5551%0.51331%0.305SS..Hα-helixtrans-52.8-36.6176.1-179.2-179.6172.3144.65.8113E258 F259 E260 A296 D298R256-E258 VanDerWaalsContact C-N 3.27Å; R256-E258 PolarHBondContact O-N 3.23Å; R256-F259 WeakPolarHBondContact O-CB 3.36Å; R256-F259 PolarHBondContact O-N 2.86Å; R256-E260 IonicContact CZ-OE1 3.67Å; R256-E260 IonicContact NE-OE1 3.72Å; R256-E260 PolarHBondContact NE-OE1 3.14Å; R256-E260 IonicContact NH2-OE1 2.83Å; R256-E260 PolarHBondContact O-N 3.46Å; R256-A296 PolarHBondContact NH1-O 2.84Å; R256-D298 PolarHBondContact NH2-O 3.01Å
257G79.5Confident83Confident38 Ų3853.5 Ų53.539%0.39230%0.298SS..Hα-helixtrans-60.3-34.1177.900000113.5Y255 E260 E261Y255-G257 PolarHBondContact O-N 3.22Å; Y255-G257 VanDerWaalsContact O-N 3.16Å; G257-E260 PolarHBondContact O-N 3.47Å; G257-E261 WeakPolarHBondContact O-CB 3.37Å; G257-E261 WeakPolarHBondContact O-CG 3.19Å; G257-E261 PolarHBondContact O-N 3Å
258E81.3Confident83.1Confident38 Ų3854.4 Ų54.418%0.17829%0.292CS..Hα-helixtrans-69.4-40.2178-63.5172.4170.300111A253 K254 Y255 R256 E261 R262A253-E258 WeakPolarHBondContact CA-OE2 3.43Å; A253-E258 HydrophobicContact CB-CB 4.12Å; K254-E258 PolarHBondContact N-OE2 3.34Å; Y255-E258 PolarHBondContact N-OE2 3.36Å; Y255-E258 WeakPolarHBondContact O-CB 3.46Å; Y255-E258 PolarHBondContact O-N 2.79Å; R256-E258 VanDerWaalsContact C-N 3.27Å; R256-E258 PolarHBondContact O-N 3.23Å; E258-E261 PolarHBondContact O-N 2.79Å; E258-R262 WeakPolarHBondContact O-CB 3.35Å; E258-R262 WeakPolarHBondContact O-CG 3.33Å; E258-R262 PolarHBondContact O-N 2.83Å
259F84.4Confident83.1Confident3 Ų354.4 Ų54.41%0.01329%0.288CS..Hα-helixtrans-60.4-47.3172.2167.5-95.2000111.3M246 L249 R256 E261 R262 L263 M287 M297 A299M246-F259 HydrophobicContact CE-CE2 3.98Å; M246-F259 HydrophobicContact CE-CZ 4.06Å; L249-F259 HydrophobicContact CB-CD2 3.93Å; L249-F259 HydrophobicContact CB-CE2 3.83Å; L249-F259 HydrophobicContact CD1-CE2 4.05Å; R256-F259 WeakPolarHBondContact O-CB 3.36Å; R256-F259 PolarHBondContact O-N 2.86Å; F259-E261 PolarHBondContact O-N 3.26Å; F259-R262 PolarHBondContact O-N 3.43Å; F259-L263 HydrophobicContact CE1-CD2 4.47Å; F259-L263 WeakPolarHBondContact O-CB 3.35Å; F259-L263 PolarHBondContact O-N 3.22Å; F259-M287 HydrophobicContact CZ-CE 4.17Å; F259-M287 HydrophobicContact CZ-SD 3.94Å; F259-M297 HydrophobicContact CB-CE 4.08Å; F259-M297 HydrophobicContact CD1-CE 3.94Å; F259-M297 HydrophobicContact CD2-CE 3.31Å; F259-M297 HydrophobicContact CD2-SD 4.07Å; F259-M297 HydrophobicContact CE1-CB 4.02Å; F259-M297 HydrophobicContact CE1-CE 4.21Å; F259-M297 HydrophobicContact CE1-CG 4.38Å; F259-M297 HydrophobicContact CE1-SD 4.18Å; F259-M297 HydrophobicContact CE2-CE 3.61Å; F259-M297 HydrophobicContact CE2-SD 3.69Å; F259-M297 HydrophobicContact CG-CE 3.49Å; F259-M297 VanDerWaalsContact CG-CE 3.49Å; F259-M297 HydrophobicContact CG-SD 4.45Å; F259-M297 HydrophobicContact CZ-CB 4.19Å; F259-M297 HydrophobicContact CZ-CE 4.05Å; F259-M297 HydrophobicContact CZ-CG 4.46Å; F259-M297 HydrophobicContact CZ-SD 3.76Å; F259-A299 HydrophobicContact CE1-CB 4.47Å
260E85.7Confident83.3Confident66 Ų6654.7 Ų54.731%0.30829%0.29SS..Hα-helixtrans-62.8-41.7178.4-71.5179.8-170.400111.4R256 G257 L263 K264 M302R256-E260 IonicContact CZ-OE1 3.67Å; R256-E260 IonicContact NE-OE1 3.72Å; R256-E260 PolarHBondContact NE-OE1 3.14Å; R256-E260 IonicContact NH2-OE1 2.83Å; R256-E260 PolarHBondContact O-N 3.46Å; G257-E260 PolarHBondContact O-N 3.47Å; E260-L263 PolarHBondContact O-N 2.97Å; E260-K264 WeakPolarHBondContact O-CB 3.4Å; E260-K264 PolarHBondContact O-N 3.23Å; E260-M302 HydrophobicContact CB-SD 4.02Å; E260-M302 HydrophobicContact CG-SD 4.2Å; E260-M302 VanDerWaalsContact O-CE 3.3Å; E260-M302 WeakPolarHBondContact O-CE 3.27Å
261E84Confident83.4Confident68 Ų6853.2 Ų53.232%0.31828%0.284SS..Hα-helixtrans-61.4-43.3174.3-79.5180-179.400112.4G257 E258 F259 K264 G265G257-E261 WeakPolarHBondContact O-CB 3.37Å; G257-E261 WeakPolarHBondContact O-CG 3.19Å; G257-E261 PolarHBondContact O-N 3Å; E258-E261 PolarHBondContact O-N 2.79Å; F259-E261 PolarHBondContact O-N 3.26Å; E261-K264 VanDerWaalsContact O-CB 3.29Å; E261-K264 WeakPolarHBondContact O-CB 3.38Å; E261-K264 PolarHBondContact O-N 3.49Å; E261-G265 PolarHBondContact O-N 3.45Å
262R86.8Confident83.6Confident18 Ų1855.5 Ų55.57%0.06828%0.283CS..Hα-helixtrans-62.9-45.7176.3-70.3169.5-176.3-174.61111.7D160 Y168 L249 A251 E258 F259 K264 G265 V266D160-R262 HydrophobicContact CB-CG 4.4Å; D160-R262 IonicContact OD2-NE 3.65Å; D160-R262 IonicContact OD2-NH2 2.81Å; Y168-R262 HydrophobicContact CD2-CB 4.47Å; Y168-R262 HydrophobicContact CE1-CG 4.49Å; Y168-R262 HydrophobicContact CE2-CB 3.91Å; Y168-R262 HydrophobicContact CE2-CG 4.02Å; Y168-R262 WeakPolarHBondContact OH-CD 3.42Å; Y168-R262 WeakPolarHBondContact OH-CG 3.31Å; L249-R262 HydrophobicContact CD2-CB 3.8Å; L249-R262 WeakPolarHBondContact O-CD 3.07Å; L249-R262 PolarHBondContact O-NH1 2.95Å; A251-R262 PolarHBondContact O-NH1 2.97Å; E258-R262 WeakPolarHBondContact O-CB 3.35Å; E258-R262 WeakPolarHBondContact O-CG 3.33Å; E258-R262 PolarHBondContact O-N 2.83Å; F259-R262 PolarHBondContact O-N 3.43Å; R262-K264 VanDerWaalsContact C-N 3.3Å; R262-K264 PolarHBondContact O-N 2.9Å; R262-G265 WeakPolarHBondContact O-CA 3.33Å; R262-G265 PolarHBondContact O-N 3Å; R262-G265 VanDerWaalsContact O-N 3.15Å; R262-V266 PolarHBondContact O-N 3.36Å
263L89.5Confident84.1Confident1 Ų155.6 Ų55.61%0.00527%0.265CS..Hα-helixtrans-63.9-37.7175.7-176.765.2000111.6L249 F259 E260 G265 V266 L267 M287 A299 M302L249-L263 HydrophobicContact CD1-CD1 4.46Å; F259-L263 HydrophobicContact CE1-CD2 4.47Å; F259-L263 WeakPolarHBondContact O-CB 3.35Å; F259-L263 PolarHBondContact O-N 3.22Å; E260-L263 PolarHBondContact O-N 2.97Å; L263-G265 VanDerWaalsContact C-N 3.28Å; L263-G265 PolarHBondContact O-N 3.4Å; L263-V266 WeakPolarHBondContact O-CB 3.3Å; L263-V266 PolarHBondContact O-N 2.97Å; L263-L267 HydrophobicContact CG-CD1 4.37Å; L263-L267 WeakPolarHBondContact O-CG 3.36Å; L263-L267 PolarHBondContact O-N 2.9Å; L263-M287 HydrophobicContact CD1-CE 3.74Å; L263-M287 HydrophobicContact CD2-CE 3.5Å; L263-M287 HydrophobicContact CG-CE 4.28Å; L263-A299 HydrophobicContact CD2-CB 3.32Å; L263-M302 HydrophobicContact CD2-SD 4.29Å
264K88Confident84.2Confident109 Ų10962.7 Ų62.747%0.47429%0.294SS..Hα-helixtrans-58-44.8172.8-159.4179.3174.2-174.30110.9E260 E261 R262 V266 L267 N268 M302E260-K264 WeakPolarHBondContact O-CB 3.4Å; E260-K264 PolarHBondContact O-N 3.23Å; E261-K264 VanDerWaalsContact O-CB 3.29Å; E261-K264 WeakPolarHBondContact O-CB 3.38Å; E261-K264 PolarHBondContact O-N 3.49Å; R262-K264 VanDerWaalsContact C-N 3.3Å; R262-K264 PolarHBondContact O-N 2.9Å; K264-V266 VanDerWaalsContact C-N 3.35Å; K264-V266 PolarHBondContact O-N 2.85Å; K264-L267 PolarHBondContact O-N 2.79Å; K264-N268 WeakPolarHBondContact O-CB 3.39Å; K264-N268 PolarHBondContact O-N 2.55Å; K264-N268 PolarHBondContact O-ND2 3.49Å; K264-M302 HydrophobicContact CB-CE 3.52Å; K264-M302 HydrophobicContact CG-CE 3.94Å
265G86.6Confident84.7Confident2 Ų255.3 Ų55.32%0.02127%0.267CS..Hα-helixtrans-55.7-48.917400000111.6E261 R262 L263 L267 N268 D269E261-G265 PolarHBondContact O-N 3.45Å; R262-G265 WeakPolarHBondContact O-CA 3.33Å; R262-G265 PolarHBondContact O-N 3Å; R262-G265 VanDerWaalsContact O-N 3.15Å; L263-G265 VanDerWaalsContact C-N 3.28Å; L263-G265 PolarHBondContact O-N 3.4Å; G265-L267 PolarHBondContact O-N 3.09Å; G265-N268 PolarHBondContact O-N 3.36Å; G265-D269 WeakPolarHBondContact O-CB 3.38Å; G265-D269 PolarHBondContact O-N 2.94Å
266V91.4Very high85.2Confident0 Ų051.4 Ų51.40%026%0.257CS..Hα-helixtrans-56.5-48.5176.4172.40000111.3A164 L165 Y168 L244 L249 R262 L263 K264 D269 L270A164-V266 HydrophobicContact CB-CG2 3.94Å; L165-V266 HydrophobicContact CD2-CG1 4.19Å; Y168-V266 HydrophobicContact CD2-CG2 3.85Å; Y168-V266 HydrophobicContact CG-CG2 4.31Å; L244-V266 HydrophobicContact CD1-CG1 4.15Å; L249-V266 HydrophobicContact CD2-CG2 4.34Å; R262-V266 PolarHBondContact O-N 3.36Å; L263-V266 WeakPolarHBondContact O-CB 3.3Å; L263-V266 PolarHBondContact O-N 2.97Å; K264-V266 VanDerWaalsContact C-N 3.35Å; K264-V266 PolarHBondContact O-N 2.85Å; V266-D269 PolarHBondContact O-N 3.43Å; V266-L270 HydrophobicContact CG1-CD1 4.02Å; V266-L270 VanDerWaalsContact O-CG 3.29Å; V266-L270 WeakPolarHBondContact O-CG 3.35Å; V266-L270 PolarHBondContact O-N 3.3Å
267L91.2Very high86.1Confident14 Ų1445.1 Ų45.17%0.07323%0.234CC..Hα-helixtrans-67.4-38.6-179.2-66.3175.5000113L263 K264 G265 L270 A271 M302 L303 A306 L312L263-L267 HydrophobicContact CG-CD1 4.37Å; L263-L267 WeakPolarHBondContact O-CG 3.36Å; L263-L267 PolarHBondContact O-N 2.9Å; K264-L267 PolarHBondContact O-N 2.79Å; G265-L267 PolarHBondContact O-N 3.09Å; L267-L270 HydrophobicContact CD2-CD1 4.34Å; L267-L270 PolarHBondContact O-N 3.41Å; L267-A271 PolarHBondContact O-N 3.15Å; L267-M302 HydrophobicContact CD1-CB 3.88Å; L267-M302 HydrophobicContact CD1-CE 4.48Å; L267-L303 HydrophobicContact CD1-CD2 4.26Å; L267-L303 HydrophobicContact CD2-CD2 3.93Å; L267-A306 HydrophobicContact CD2-CB 4.2Å; L267-L312 HydrophobicContact CD2-CD2 4.18Å
268N87.9Confident86.9Confident66 Ų6643.3 Ų43.335%0.35322%0.216SC..Hα-helixtrans-64.7-42.9175.7-72.6-15000111.2K264 G265 L270 A271 K272K264-N268 WeakPolarHBondContact O-CB 3.39Å; K264-N268 PolarHBondContact O-N 2.55Å; K264-N268 PolarHBondContact O-ND2 3.49Å; G265-N268 PolarHBondContact O-N 3.36Å; N268-L270 VanDerWaalsContact C-N 3.34Å; N268-A271 PolarHBondContact O-N 2.92Å; N268-K272 WeakPolarHBondContact O-CG 3.49Å; N268-K272 PolarHBondContact O-N 3Å
269D87.5Confident87.7Confident24 Ų2441.6 Ų41.613%0.12821%0.207CC..Hα-helixtrans-65.2-38.4176-82.1-5.2000111.3Q163 A164 L165 G265 V266 K272 Q273Q163-D269 WeakPolarHBondContact CA-OD2 3.26Å; A164-D269 PolarHBondContact N-OD2 3.46Å; L165-D269 HydrophobicContact CB-CB 4.4Å; L165-D269 HydrophobicContact CD1-CB 3.81Å; L165-D269 HydrophobicContact CG-CB 3.69Å; G265-D269 WeakPolarHBondContact O-CB 3.38Å; G265-D269 PolarHBondContact O-N 2.94Å; V266-D269 PolarHBondContact O-N 3.43Å; D269-K272 WeakPolarHBondContact O-CB 3.5Å; D269-K272 PolarHBondContact O-N 2.65Å; D269-K272 IonicContact OD1-NZ 3.96Å; D269-Q273 WeakPolarHBondContact O-CG 3.1Å; D269-Q273 PolarHBondContact O-N 3.23Å
270L89.8Confident88.3Confident7 Ų741.8 Ų41.84%0.03721%0.208CC..Hα-helixtrans-62.1-42.1173.4-75.6168.8000112.6L165 V266 L267 N268 K272 Q273 V277 L279 L312L165-L270 HydrophobicContact CD1-CD2 4.18Å; L165-L270 HydrophobicContact CD1-CG 4.39Å; L165-L270 HydrophobicContact CD2-CD1 4.45Å; L165-L270 HydrophobicContact CD2-CD2 3.74Å; L165-L270 HydrophobicContact CD2-CG 3.78Å; L165-L270 HydrophobicContact CG-CG 4.45Å; V266-L270 HydrophobicContact CG1-CD1 4.02Å; V266-L270 VanDerWaalsContact O-CG 3.29Å; V266-L270 WeakPolarHBondContact O-CG 3.35Å; V266-L270 PolarHBondContact O-N 3.3Å; L267-L270 HydrophobicContact CD2-CD1 4.34Å; L267-L270 PolarHBondContact O-N 3.41Å; N268-L270 VanDerWaalsContact C-N 3.34Å; L270-K272 PolarHBondContact O-N 2.9Å; L270-Q273 WeakPolarHBondContact O-CB 3.43Å; L270-Q273 PolarHBondContact O-N 3.05Å; L270-V277 HydrophobicContact CD2-CB 3.72Å; L270-V277 HydrophobicContact CD2-CG1 3.41Å; L270-V277 VanDerWaalsContact CD2-CG1 3.41Å; L270-V277 HydrophobicContact CD2-CG2 4.42Å; L270-L279 HydrophobicContact CD1-CB 4.44Å; L270-L279 HydrophobicContact CD1-CD1 4.4Å; L270-L279 HydrophobicContact CD1-CD2 3.94Å; L270-L312 HydrophobicContact CD1-CD1 3.81Å
271A86.9Confident88.8Confident33 Ų3338.8 Ų38.827%0.27319%0.194SC..Hα-helixtrans-59.2-34.7177.100000112L267 N268 Q273 E274 E311L267-A271 PolarHBondContact O-N 3.15Å; N268-A271 PolarHBondContact O-N 2.92Å; A271-Q273 VanDerWaalsContact C-N 3.27Å; A271-Q273 PolarHBondContact O-N 2.88Å; A271-E274 PolarHBondContact O-N 3.3Å; A271-E311 HydrophobicContact CB-CB 4.07Å; A271-E311 HydrophobicContact CB-CG 3.99Å
272K85Confident89.4Confident111 Ų11138.8 Ų38.848%0.48320%0.196SC..THydrogen-bonded Turntrans-71.3-16.5175.5-62.7168.1-171.7168.70113.7E151 N268 D269 L270 E274E151-K272 IonicContact OE1-NZ 2.76Å; E151-K272 PolarHBondContact OE1-NZ 2.92Å; N268-K272 WeakPolarHBondContact O-CG 3.49Å; N268-K272 PolarHBondContact O-N 3Å; D269-K272 WeakPolarHBondContact O-CB 3.5Å; D269-K272 PolarHBondContact O-N 2.65Å; D269-K272 IonicContact OD1-NZ 3.96Å; L270-K272 PolarHBondContact O-N 2.9Å; K272-E274 VanDerWaalsContact C-N 3.31Å
273Q82.6Confident89.6Confident68 Ų6843.3 Ų43.332%0.31822%0.219SC..THydrogen-bonded Turntrans-84.6-2.4179.2-61.8-64.4-39.200113.4L165 D269 L270 A271 G275 N276 V277L165-Q273 HydrophobicContact CD1-CG 3.99Å; D269-Q273 WeakPolarHBondContact O-CG 3.1Å; D269-Q273 PolarHBondContact O-N 3.23Å; L270-Q273 WeakPolarHBondContact O-CB 3.43Å; L270-Q273 PolarHBondContact O-N 3.05Å; A271-Q273 VanDerWaalsContact C-N 3.27Å; A271-Q273 PolarHBondContact O-N 2.88Å; Q273-G275 PolarHBondContact O-N 3.31Å; Q273-G275 VanDerWaalsContact O-N 3.09Å; Q273-N276 VanDerWaalsContact O-CB 3.3Å; Q273-N276 WeakPolarHBondContact O-CB 3.42Å; Q273-N276 PolarHBondContact O-N 3.36Å; Q273-N276 PolarHBondContact O-ND2 3.39Å; Q273-N276 VanDerWaalsContact O-ND2 3.07Å; Q273-V277 HydrophobicContact CB-CB 4.48Å; Q273-V277 HydrophobicContact CB-CG2 3.88Å; Q273-V277 HydrophobicContact CG-CG2 3.76Å
274E79.5Confident89.8Confident174 Ų17443.3 Ų43.381%0.81322%0.219SC*.THydrogen-bonded Turntrans51.934.7176.2-59.4-175170.500114A271 K272A271-E274 PolarHBondContact O-N 3.3Å; K272-E274 VanDerWaalsContact C-N 3.31Å
275G80.1Confident89.8Confident17 Ų1739.4 Ų39.418%0.17520%0.202CC..THydrogen-bonded Turntrans81.88.1178.500000115.6R239 Q273 V277R239-G275 PolarHBondContact NH1-O 3.05Å; Q273-G275 PolarHBondContact O-N 3.31Å; Q273-G275 VanDerWaalsContact O-N 3.09Å; G275-V277 PolarHBondContact O-N 3.48Å
276N86.7Confident89.8Confident87 Ų8741 Ų4147%0.46521%0.211SC..  trans-74.4-5.6174.5-67.8-42.9000113.8R239 R240 Q273R239-N276 CarbonylContact C-O 3.45Å; R239-N276 VanDerWaalsContact CA-O 3.24Å; R239-N276 WeakPolarHBondContact CA-O 3.43Å; R239-N276 WeakPolarHBondContact CB-O 3.21Å; R240-N276 PolarHBondContact N-O 2.86Å; Q273-N276 VanDerWaalsContact O-CB 3.3Å; Q273-N276 WeakPolarHBondContact O-CB 3.42Å; Q273-N276 PolarHBondContact O-N 3.36Å; Q273-N276 PolarHBondContact O-ND2 3.39Å; Q273-N276 VanDerWaalsContact O-ND2 3.07Å
277V93.5Very high89.5Confident4 Ų441 Ų412%0.02421%0.211CC..EExtended strand (participates in β ladder)trans-113.8132.9177.8175.80000110.1R240 L242 L270 Q273 G275R240-V277 HydrophobicContact CB-CG2 4.4Å; R240-V277 WeakPolarHBondContact O-CA 3.3Å; L242-V277 HydrophobicContact CB-CG1 4.15Å; L242-V277 HydrophobicContact CD1-CG1 3.6Å; L242-V277 HydrophobicContact CD1-CG2 4.28Å; L242-V277 HydrophobicContact CG-CG1 3.73Å; L270-V277 HydrophobicContact CD2-CB 3.72Å; L270-V277 HydrophobicContact CD2-CG1 3.41Å; L270-V277 VanDerWaalsContact CD2-CG1 3.41Å; L270-V277 HydrophobicContact CD2-CG2 4.42Å; Q273-V277 HydrophobicContact CB-CB 4.48Å; Q273-V277 HydrophobicContact CB-CG2 3.88Å; Q273-V277 HydrophobicContact CG-CG2 3.76Å; G275-V277 PolarHBondContact O-N 3.48Å
278I96.8Very high89Confident0 Ų040.5 Ų40.50%021%0.209CC..EExtended strand (participates in β ladder)trans-103113.6166.9-60.5163.8000106.9L198 I227 L236 R239 R240 V241 L242 H313 V315L198-I278 HydrophobicContact CD1-CD1 4.13Å; L198-I278 HydrophobicContact CD2-CG2 4.28Å; I227-I278 HydrophobicContact CD1-CD1 4.13Å; L236-I278 HydrophobicContact CD2-CD1 4.32Å; R239-I278 HydrophobicContact CB-CD1 4.36Å; R240-I278 PolarHBondContact O-N 2.86Å; V241-I278 WeakPolarHBondContact CA-O 3.26Å; V241-I278 HydrophobicContact CG2-CB 4.48Å; V241-I278 HydrophobicContact CG2-CD1 4.5Å; L242-I278 PolarHBondContact N-O 3.39Å; I278-H313 WeakPolarHBondContact CA-O 3.34Å; I278-V315 HydrophobicContact CG2-CG2 3.75Å
279L97.5Very high87.9Confident1 Ų138.1 Ų38.11%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-85.8124.4177.2-171.173.7000109.9T169 L242 L244 L270 I281 L312 H313 C314 V315T169-L279 HydrophobicContact CG2-CD1 4.04Å; L242-L279 HydrophobicContact CB-CD1 4.36Å; L242-L279 CarbonylContact O-C 3.57Å; L242-L279 WeakPolarHBondContact O-CA 3.4Å; L244-L279 HydrophobicContact CB-CD1 4.25Å; L244-L279 HydrophobicContact CD1-CD1 4.38Å; L270-L279 HydrophobicContact CD1-CB 4.44Å; L270-L279 HydrophobicContact CD1-CD1 4.4Å; L270-L279 HydrophobicContact CD1-CD2 3.94Å; L279-I281 HydrophobicContact CD2-CD1 3.96Å; L279-I281 HydrophobicContact CD2-CG1 3.87Å; L279-I281 HydrophobicContact CG-CG1 4.11Å; L279-L312 HydrophobicContact CB-CD1 3.92Å; L279-L312 HydrophobicContact CD2-CD1 3.81Å; L279-H313 PolarHBondContact N-O 2.92Å; L279-C314 HydrophobicContact CB-CB 4.18Å; L279-C314 CarbonylContact O-C 3.52Å; L279-C314 WeakPolarHBondContact O-CA 3.44Å; L279-C314 WeakPolarHBondContact O-CB 3.33Å; L279-V315 PolarHBondContact O-N 3.46Å
280F98.4Very high86.4Confident8 Ų838 Ų384%0.03520%0.202CC..EExtended strand (participates in β ladder)trans-91.5127.2168.2172.9-123.7000110T217 V220 L242 A243 L244 D282 V315 A317T217-F280 HydrophobicContact CG2-CE1 4.26Å; V220-F280 HydrophobicContact CB-CD2 4.3Å; V220-F280 HydrophobicContact CB-CG 4.3Å; V220-F280 HydrophobicContact CG1-CB 3.75Å; V220-F280 HydrophobicContact CG1-CD1 4.14Å; V220-F280 HydrophobicContact CG1-CD2 4.05Å; V220-F280 HydrophobicContact CG1-CG 3.71Å; V220-F280 HydrophobicContact CG2-CD2 3.59Å; V220-F280 HydrophobicContact CG2-CE2 3.65Å; V220-F280 HydrophobicContact CG2-CG 4.09Å; V220-F280 HydrophobicContact CG2-CZ 4.18Å; L242-F280 PolarHBondContact O-N 2.98Å; A243-F280 HydrophobicContact CB-CB 4.5Å; A243-F280 HydrophobicContact CB-CD1 3.95Å; L244-F280 WeakPolarHBondContact CB-O 3.34Å; L244-F280 PolarHBondContact N-O 3.41Å; F280-D282 HydrophobicContact CE1-CB 3.97Å; F280-D282 HydrophobicContact CZ-CB 3.8Å; F280-V315 WeakPolarHBondContact CA-O 3.17Å; F280-V315 HydrophobicContact CD2-CB 4.26Å; F280-V315 HydrophobicContact CD2-CG1 4.33Å; F280-V315 WeakPolarHBondContact CD2-O 3.4Å; F280-A317 HydrophobicContact CE2-CB 3.78Å; F280-A317 HydrophobicContact CZ-CB 4.08Å
281I96.2Very high84.5Confident2 Ų239.8 Ų39.81%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-120.7103.3176.5-53.3173.6000107L244 L279 L284 M287 V315 G316 A317L244-I281 HydrophobicContact CD2-CG1 4.33Å; L279-I281 HydrophobicContact CD2-CD1 3.96Å; L279-I281 HydrophobicContact CD2-CG1 3.87Å; L279-I281 HydrophobicContact CG-CG1 4.11Å; I281-L284 HydrophobicContact CB-CD1 4.09Å; I281-L284 HydrophobicContact CD1-CD1 3.92Å; I281-L284 HydrophobicContact CG2-CB 4.43Å; I281-L284 HydrophobicContact CG2-CD1 3.95Å; I281-M287 HydrophobicContact CG2-CG 4.22Å; I281-V315 PolarHBondContact N-O 3.14Å; I281-G316 WeakPolarHBondContact O-CA 3.4Å; I281-A317 PolarHBondContact O-N 3.2Å
282D95.4Very high82.7Confident68 Ų6848 Ų4836%0.36425%0.252SS..THydrogen-bonded Turntrans-71.5150.5168.2-153.20.2000109.9F280 L284 A317F280-D282 HydrophobicContact CE1-CB 3.97Å; F280-D282 HydrophobicContact CZ-CB 3.8Å; D282-L284 VanDerWaalsContact C-N 3.29Å; D282-L284 PolarHBondContact O-N 3.44Å; D282-A317 WeakPolarHBondContact OD1-CB 3.38Å
283E91.8Very high80.9Confident114 Ų11445.9 Ų45.953%0.53326%0.255SS..THydrogen-bonded Turntrans48.847.9-174.5-55.7-170144.700113.3H285 T286 A317E283-H285 PolarHBondContact O-N 3.48Å; E283-T286 HydrophobicContact CB-CG2 3.8Å; E283-T286 WeakPolarHBondContact O-CB 3.35Å; E283-T286 WeakPolarHBondContact O-CG2 3.28Å; E283-T286 PolarHBondContact O-N 2.93Å; E283-T286 PolarHBondContact O-OG1 3.07Å; E283-A317 CarbonylContact C-O 3.6Å; E283-A317 VanDerWaalsContact CA-O 3.28Å; E283-A317 WeakPolarHBondContact CA-O 3.42Å; E283-A317 PolarHBondContact N-O 3.09Å
284L92.9Very high79.2Confident1 Ų151.6 Ų51.61%0.00529%0.288CS..Hα-helixtrans-48.5-32.1-173.5176.464.6000113.6V207 I281 D282 T286 M287 V288 A317 I327 F337V207-L284 HydrophobicContact CG1-CD2 4.45Å; V207-L284 HydrophobicContact CG2-CD2 3.94Å; I281-L284 HydrophobicContact CB-CD1 4.09Å; I281-L284 HydrophobicContact CD1-CD1 3.92Å; I281-L284 HydrophobicContact CG2-CB 4.43Å; I281-L284 HydrophobicContact CG2-CD1 3.95Å; D282-L284 VanDerWaalsContact C-N 3.29Å; D282-L284 PolarHBondContact O-N 3.44Å; L284-T286 VanDerWaalsContact C-N 3.25Å; L284-T286 PolarHBondContact O-N 2.61Å; L284-M287 PolarHBondContact O-N 3.38Å; L284-V288 HydrophobicContact CD1-CG1 4.23Å; L284-V288 WeakPolarHBondContact O-CG2 3.24Å; L284-V288 PolarHBondContact O-N 3.13Å; L284-A317 PolarHBondContact N-O 3.05Å; L284-I327 HydrophobicContact CD2-CD1 3.79Å; L284-I327 HydrophobicContact CG-CD1 4.12Å; L284-F337 HydrophobicContact CD1-CZ 4.48Å; L284-F337 HydrophobicContact CD2-CD1 4.3Å; L284-F337 HydrophobicContact CD2-CE1 3.76Å; L284-F337 HydrophobicContact CD2-CE2 4.37Å; L284-F337 HydrophobicContact CD2-CZ 3.81Å
285H89.4Confident77.8Confident26 Ų2646.8 Ų46.812%0.1228%0.284CS..Hα-helixtrans-59.7-32178.567.4-85.9000113.6E283 M287 V288 G289 T318 E322 Y326E283-H285 PolarHBondContact O-N 3.48Å; H285-M287 PolarHBondContact O-N 2.97Å; H285-V288 PolarHBondContact O-N 3.28Å; H285-G289 PolarHBondContact O-N 3.17Å; H285-G289 VanDerWaalsContact O-N 3.08Å; H285-T318 PolarHBondContact ND1-OG1 2.99Å; H285-E322 HydrophobicContact CB-CB 3.83Å; H285-E322 HydrophobicContact CB-CG 4.27Å; H285-E322 IonicContact CE1-OE1 3.39Å; H285-E322 PolarHBondContact CE1-OE1 3.31Å; H285-E322 IonicContact CE1-OE2 2.84Å; H285-E322 PolarHBondContact CE1-OE2 3.44Å; H285-E322 IonicContact CG-OE2 3.89Å; H285-E322 IonicContact ND1-OE1 2.7Å; H285-E322 IonicContact ND1-OE2 3.24Å; H285-E322 PolarHBondContact ND1-OE2 3.14Å; H285-E322 IonicContact NE2-OE1 3.59Å; H285-E322 IonicContact NE2-OE2 3.95Å; H285-Y326 HydrophobicContact CB-CD2 3.95Å
286T86.1Confident76.5Confident35 Ų3546.7 Ų46.722%0.21528%0.282CS..Hα-helixtrans-60.4-34.4178.661.70000111.4E283 L284 A290 M297E283-T286 HydrophobicContact CB-CG2 3.8Å; E283-T286 WeakPolarHBondContact O-CB 3.35Å; E283-T286 WeakPolarHBondContact O-CG2 3.28Å; E283-T286 PolarHBondContact O-N 2.93Å; E283-T286 PolarHBondContact O-OG1 3.07Å; L284-T286 VanDerWaalsContact C-N 3.25Å; L284-T286 PolarHBondContact O-N 2.61Å; T286-A290 WeakPolarHBondContact O-CB 3.25Å; T286-M297 VanDerWaalsContact O-O 3.12Å
287M83.6Confident75.2Confident0 Ų045.2 Ų45.20%027%0.273CS..Hα-helixtrans-86.5-24-176.9-67.1-68.9-83.700114L244 M246 F259 L263 I281 L284 H285 A299 G300 L303L244-M287 HydrophobicContact CD2-CE 4.15Å; M246-M287 HydrophobicContact CE-CG 4.45Å; M246-M287 HydrophobicContact CE-SD 3.51Å; M246-M287 VanDerWaalsContact CE-SD 3.51Å; M246-M287 HydrophobicContact SD-CE 4.33Å; M246-M287 HydrophobicContact SD-CG 4.41Å; M246-M287 HydrophobicContact SD-SD 3.81Å; F259-M287 HydrophobicContact CZ-CE 4.17Å; F259-M287 HydrophobicContact CZ-SD 3.94Å; L263-M287 HydrophobicContact CD1-CE 3.74Å; L263-M287 HydrophobicContact CD2-CE 3.5Å; L263-M287 HydrophobicContact CG-CE 4.28Å; I281-M287 HydrophobicContact CG2-CG 4.22Å; L284-M287 PolarHBondContact O-N 3.38Å; H285-M287 PolarHBondContact O-N 2.97Å; M287-A299 HydrophobicContact CB-CB 4.5Å; M287-A299 HydrophobicContact CE-CB 3.73Å; M287-A299 CarbonylContact O-C 3.58Å; M287-A299 VanDerWaalsContact O-C 3.23Å; M287-A299 WeakPolarHBondContact O-CA 3.33Å; M287-A299 WeakPolarHBondContact O-CB 3.48Å; M287-A299 PolarHBondContact O-N 2.84Å; M287-A299 HydrophobicContact SD-CB 4.05Å; M287-G300 PolarHBondContact O-N 3.16Å; M287-L303 HydrophobicContact CB-CD1 3.71Å; M287-L303 HydrophobicContact CE-CD1 4.45Å
288V80.6Confident73.9Confident5 Ų547 Ų473%0.0328%0.283CS..Hα-helixtrans-113.5-18.1-169.3-60.10000115.3L284 H285 L303 I327 L333L284-V288 HydrophobicContact CD1-CG1 4.23Å; L284-V288 WeakPolarHBondContact O-CG2 3.24Å; L284-V288 PolarHBondContact O-N 3.13Å; H285-V288 PolarHBondContact O-N 3.28Å; V288-L303 HydrophobicContact CG1-CD1 3.84Å; V288-I327 HydrophobicContact CG2-CD1 4.4Å; V288-I327 HydrophobicContact CG2-CG1 3.87Å; V288-L333 HydrophobicContact CB-CD1 3.74Å; V288-L333 HydrophobicContact CG1-CD1 4.28Å; V288-L333 HydrophobicContact CG1-CD2 4.49Å; V288-L333 HydrophobicContact CG2-CD1 3.91Å
289G66.4Low72.8Confident15 Ų1547.1 Ų47.116%0.15528%0.283CS..THydrogen-bonded Turntrans-140.3-4.2-169.800000116.5H285 G291 Y326H285-G289 PolarHBondContact O-N 3.17Å; H285-G289 VanDerWaalsContact O-N 3.08Å; G289-G291 PolarHBondContact O-N 3.3Å; G289-G291 VanDerWaalsContact O-N 3.13Å; G289-Y326 VanDerWaalsContact O-CD1 3.25Å; G289-Y326 WeakPolarHBondContact O-CD1 3.31Å; G289-Y326 VanDerWaalsContact O-CE1 3.28Å; G289-Y326 WeakPolarHBondContact O-CE1 3.45Å
290A55.8Low72Confident23 Ų2347 Ų4719%0.1928%0.283CS..G310 helixtrans-71.7-9.4-171.300000113.9T286 K292 A293 A296T286-A290 WeakPolarHBondContact O-CB 3.25Å; A290-K292 PolarHBondContact O-N 2.87Å; A290-A293 PolarHBondContact O-N 2.89Å; A290-A296 HydrophobicContact CB-CB 3.35Å; A290-A296 WeakPolarHBondContact O-CB 3.44Å
291G49.7Very low71.3Confident44 Ų4452.6 Ų52.645%0.45431%0.313SS..G310 helixtrans-593-172.900000118.3G289G289-G291 PolarHBondContact O-N 3.3Å; G289-G291 VanDerWaalsContact O-N 3.13Å
292K49.6Very low70.8Confident206 Ų20654.4 Ų54.490%0.89632%0.322SS*.G310 helixtrans-89.2-16.2169.7-69.3-170178.7-1780114.1A290A290-K292 PolarHBondContact O-N 2.87Å
293A47.5Very low70.5Confident66 Ų6651.3 Ų51.355%0.54531%0.305SS..SBendtrans-92.2137.9172.100000110A290 G295 A296A290-A293 PolarHBondContact O-N 2.89Å; A293-G295 PolarHBondContact O-N 2.87Å; A293-A296 HydrophobicContact CB-CB 4.18Å; A293-A296 PolarHBondContact O-N 3.42Å; A293-A296 VanDerWaalsContact O-N 3.11Å
294D45.1Very low70.4Confident188 Ų18848.6 Ų48.6100%1.00529%0.292SS*.THydrogen-bonded Turntrans-69.723.3-169-137.78.6000115.3
295G50.6Low70.3Confident72 Ų7251 Ų5174%0.74231%0.307SS*.THydrogen-bonded Turntrans-157.78.4178.100000113.6A293A293-G295 PolarHBondContact O-N 2.87Å
296A53.6Low70.3Confident16 Ų1649.8 Ų49.813%0.13230%0.302CS..  trans-82.4140-171.900000113.7R256 A290 A293 D298R256-A296 PolarHBondContact NH1-O 2.84Å; A290-A296 HydrophobicContact CB-CB 3.35Å; A290-A296 WeakPolarHBondContact O-CB 3.44Å; A293-A296 HydrophobicContact CB-CB 4.18Å; A293-A296 PolarHBondContact O-N 3.42Å; A293-A296 VanDerWaalsContact O-N 3.11Å; A296-D298 PolarHBondContact O-N 3.22Å
297M59Low70.5Confident55 Ų5548.5 Ų48.527%0.27129%0.294SS..  trans-7466.4179.2-60.2-170.1130.500111.7M246 V250 F259 T286 A299M246-M297 HydrophobicContact CE-SD 4.04Å; V250-M297 HydrophobicContact CB-CE 4.48Å; V250-M297 HydrophobicContact CG2-CE 3.48Å; V250-M297 VanDerWaalsContact CG2-CE 3.48Å; V250-M297 HydrophobicContact CG2-SD 3.94Å; F259-M297 HydrophobicContact CB-CE 4.08Å; F259-M297 HydrophobicContact CD1-CE 3.94Å; F259-M297 HydrophobicContact CD2-CE 3.31Å; F259-M297 HydrophobicContact CD2-SD 4.07Å; F259-M297 HydrophobicContact CE1-CB 4.02Å; F259-M297 HydrophobicContact CE1-CE 4.21Å; F259-M297 HydrophobicContact CE1-CG 4.38Å; F259-M297 HydrophobicContact CE1-SD 4.18Å; F259-M297 HydrophobicContact CE2-CE 3.61Å; F259-M297 HydrophobicContact CE2-SD 3.69Å; F259-M297 HydrophobicContact CG-CE 3.49Å; F259-M297 VanDerWaalsContact CG-CE 3.49Å; F259-M297 HydrophobicContact CG-SD 4.45Å; F259-M297 HydrophobicContact CZ-CB 4.19Å; F259-M297 HydrophobicContact CZ-CE 4.05Å; F259-M297 HydrophobicContact CZ-CG 4.46Å; F259-M297 HydrophobicContact CZ-SD 3.76Å; T286-M297 VanDerWaalsContact O-O 3.12Å; M297-A299 VanDerWaalsContact C-N 3.31Å; M297-A299 PolarHBondContact O-N 3.41Å
298D66Low70.7Confident43 Ų4351.2 Ų51.223%0.2332%0.317CS..  trans-73.688.5175.7-168.8-0.6000111.1R256 A296 G300R256-D298 PolarHBondContact NH2-O 3.01Å; A296-D298 PolarHBondContact O-N 3.22Å; D298-G300 VanDerWaalsContact C-N 3.26Å; D298-G300 WeakPolarHBondContact OD1-CA 3.41Å; D298-G300 PolarHBondContact OD1-N 3.26Å
299A74.8Confident71Confident1 Ų158.2 Ų58.21%0.00834%0.342CS..  trans-85.65.5171.100000112.7F259 L263 M287 M297 N301 M302 L303F259-A299 HydrophobicContact CE1-CB 4.47Å; L263-A299 HydrophobicContact CD2-CB 3.32Å; M287-A299 HydrophobicContact CB-CB 4.5Å; M287-A299 HydrophobicContact CE-CB 3.73Å; M287-A299 CarbonylContact O-C 3.58Å; M287-A299 VanDerWaalsContact O-C 3.23Å; M287-A299 WeakPolarHBondContact O-CA 3.33Å; M287-A299 WeakPolarHBondContact O-CB 3.48Å; M287-A299 PolarHBondContact O-N 2.84Å; M287-A299 HydrophobicContact SD-CB 4.05Å; M297-A299 VanDerWaalsContact C-N 3.31Å; M297-A299 PolarHBondContact O-N 3.41Å; A299-N301 PolarHBondContact O-N 3.45Å; A299-M302 WeakPolarHBondContact O-CA 3.5Å; A299-M302 WeakPolarHBondContact O-CB 3.09Å; A299-M302 PolarHBondContact O-N 3.15Å; A299-L303 PolarHBondContact O-N 3.07Å
300G80.1Confident71.8Confident0 Ų060 Ų600%036%0.361CS..Hα-helixtrans-58.7-35.7-173.700000112.2M287 D298 M302 L303 K304M287-G300 PolarHBondContact O-N 3.16Å; D298-G300 VanDerWaalsContact C-N 3.26Å; D298-G300 WeakPolarHBondContact OD1-CA 3.41Å; D298-G300 PolarHBondContact OD1-N 3.26Å; G300-M302 PolarHBondContact O-N 2.84Å; G300-L303 PolarHBondContact O-N 2.97Å; G300-K304 VanDerWaalsContact O-CB 3.29Å; G300-K304 WeakPolarHBondContact O-CB 3.27Å; G300-K304 WeakPolarHBondContact O-CD 3.45Å; G300-K304 WeakPolarHBondContact O-CG 3.11Å; G300-K304 PolarHBondContact O-N 2.93Å
301N82.7Confident73.3Confident124 Ų12461.9 Ų61.966%0.66337%0.365SS*.Hα-helixtrans-64.7-21.9176.2-70.5-28.7000113.7A299 P305A299-N301 PolarHBondContact O-N 3.45Å; N301-P305 WeakPolarHBondContact O-CD 3.28Å; N301-P305 VanDerWaalsContact O-CG 3.23Å; N301-P305 WeakPolarHBondContact O-CG 3.4Å
302M85.9Confident75.2Confident41 Ų4160 Ų6020%0.20235%0.345CS..Hα-helixtrans-94.2-39.5177.8-57.7-176.763.300111.8E260 L263 K264 L267 A299 G300 P305E260-M302 HydrophobicContact CB-SD 4.02Å; E260-M302 HydrophobicContact CG-SD 4.2Å; E260-M302 VanDerWaalsContact O-CE 3.3Å; E260-M302 WeakPolarHBondContact O-CE 3.27Å; L263-M302 HydrophobicContact CD2-SD 4.29Å; K264-M302 HydrophobicContact CB-CE 3.52Å; K264-M302 HydrophobicContact CG-CE 3.94Å; L267-M302 HydrophobicContact CD1-CB 3.88Å; L267-M302 HydrophobicContact CD1-CE 4.48Å; A299-M302 WeakPolarHBondContact O-CA 3.5Å; A299-M302 WeakPolarHBondContact O-CB 3.09Å; A299-M302 PolarHBondContact O-N 3.15Å; G300-M302 PolarHBondContact O-N 2.84Å; M302-P305 WeakPolarHBondContact O-CD 3.41Å
303L89.5Confident77.2Confident3 Ų351 Ų512%0.01631%0.306CS..Hα-helixtrans-69.6-42.3178.7-64.9-179.8000112.2L267 M287 V288 A299 G300 A306 L307 L312L267-L303 HydrophobicContact CD1-CD2 4.26Å; L267-L303 HydrophobicContact CD2-CD2 3.93Å; M287-L303 HydrophobicContact CB-CD1 3.71Å; M287-L303 HydrophobicContact CE-CD1 4.45Å; V288-L303 HydrophobicContact CG1-CD1 3.84Å; A299-L303 PolarHBondContact O-N 3.07Å; G300-L303 PolarHBondContact O-N 2.97Å; L303-A306 PolarHBondContact O-N 2.91Å; L303-L307 WeakPolarHBondContact O-CB 3.46Å; L303-L307 WeakPolarHBondContact O-CG 3.39Å; L303-L307 PolarHBondContact O-N 3.46Å; L303-L312 HydrophobicContact CD2-CD2 3.84Å
304K90.1Very high79.5Confident56 Ų5647.9 Ų47.924%0.24328%0.28CS..Hα-helixtrans-56.6-48.2-177.4-75.3167-177176.30112.8G300 L307 A308 D330 A332 L333G300-K304 VanDerWaalsContact O-CB 3.29Å; G300-K304 WeakPolarHBondContact O-CB 3.27Å; G300-K304 WeakPolarHBondContact O-CD 3.45Å; G300-K304 WeakPolarHBondContact O-CG 3.11Å; G300-K304 PolarHBondContact O-N 2.93Å; K304-L307 PolarHBondContact O-N 3.12Å; K304-A308 VanDerWaalsContact O-CB 3.22Å; K304-A308 WeakPolarHBondContact O-CB 3.46Å; K304-A308 PolarHBondContact O-N 3.33Å; K304-D330 WeakPolarHBondContact CE-OD2 3.48Å; K304-D330 IonicContact NZ-OD2 3.88Å; K304-D330 PolarHBondContact NZ-OD2 2.72Å; K304-A332 HydrophobicContact CD-CB 4.38Å; K304-L333 HydrophobicContact CD-CD2 4.47Å; K304-L333 HydrophobicContact CG-CD2 3.7Å
305P90Very high82Confident51 Ų5138.9 Ų38.933%0.33123%0.232SC..Hα-helixtrans-59.9-43.2174.8-25.333.7000113.8N301 M302 A308 R309N301-P305 WeakPolarHBondContact O-CD 3.28Å; N301-P305 VanDerWaalsContact O-CG 3.23Å; N301-P305 WeakPolarHBondContact O-CG 3.4Å; M302-P305 WeakPolarHBondContact O-CD 3.41Å; P305-A308 PolarHBondContact O-N 3.4Å; P305-R309 VanDerWaalsContact CB-NH1 3.33Å; P305-R309 WeakPolarHBondContact O-CG 3.42Å; P305-R309 PolarHBondContact O-N 3.04Å
306A90.5Very high84.3Confident2 Ų235.5 Ų35.52%0.01720%0.197CC..Hα-helixtrans-64.9-42.5179.700000111.8L267 L303 A308 G310 E311 L312L267-A306 HydrophobicContact CD2-CB 4.2Å; L303-A306 PolarHBondContact O-N 2.91Å; A306-A308 VanDerWaalsContact C-N 3.32Å; A306-A308 PolarHBondContact O-N 2.96Å; A306-G310 PolarHBondContact O-N 3.47Å; A306-G310 VanDerWaalsContact O-N 3.12Å; A306-E311 PolarHBondContact O-N 3.43Å; A306-L312 HydrophobicContact CB-CB 3.81Å; A306-L312 PolarHBondContact O-N 2.89Å
307L90.4Very high86.4Confident7 Ų734.7 Ų34.74%0.03719%0.191CC..Hα-helixtrans-64.3-35.7172.1-68.8168.1000112.3L303 K304 G310 L312 L333 R336 F337L303-L307 WeakPolarHBondContact O-CB 3.46Å; L303-L307 WeakPolarHBondContact O-CG 3.39Å; L303-L307 PolarHBondContact O-N 3.46Å; K304-L307 PolarHBondContact O-N 3.12Å; L307-G310 PolarHBondContact O-N 3.26Å; L307-L312 HydrophobicContact CD2-CB 4.14Å; L307-L312 HydrophobicContact CD2-CD2 3.87Å; L307-L312 HydrophobicContact CD2-CG 3.91Å; L307-L312 HydrophobicContact CG-CB 4.46Å; L307-L312 HydrophobicContact CG-CD2 4Å; L307-L312 HydrophobicContact CG-CG 4.44Å; L307-L333 HydrophobicContact CD1-CD2 4.27Å; L307-R336 HydrophobicContact CB-CG 4.32Å; L307-R336 PolarHBondContact O-NE 2.81Å; L307-F337 HydrophobicContact CD1-CE2 3.8Å; L307-F337 HydrophobicContact CD1-CZ 3.81Å; L307-F337 HydrophobicContact CD2-CZ 4.32Å
308A88Confident88.1Confident58 Ų5832.2 Ų32.248%0.47918%0.179SC..Hα-helixtrans-71-38.8-179.400000112.4K304 P305 A306 G310K304-A308 VanDerWaalsContact O-CB 3.22Å; K304-A308 WeakPolarHBondContact O-CB 3.46Å; K304-A308 PolarHBondContact O-N 3.33Å; P305-A308 PolarHBondContact O-N 3.4Å; A306-A308 VanDerWaalsContact C-N 3.32Å; A306-A308 PolarHBondContact O-N 2.96Å; A308-G310 VanDerWaalsContact C-N 3.27Å
309R86Confident89.4Confident152 Ų15231 Ų3157%0.57417%0.173SC*.Hα-helixtrans-76.9-13.4174.8-67.2-170.7-60.3-89.4-5.1113.2P305 E311P305-R309 VanDerWaalsContact CB-NH1 3.33Å; P305-R309 WeakPolarHBondContact O-CG 3.42Å; P305-R309 PolarHBondContact O-N 3.04Å; R309-E311 VanDerWaalsContact C-N 3.26Å; R309-E311 HydrophobicContact CB-CG 3.97Å; R309-E311 VanDerWaalsContact CD-OE1 3.3Å; R309-E311 WeakPolarHBondContact CD-OE1 3.42Å; R309-E311 IonicContact CZ-OE1 3.75Å; R309-E311 IonicContact CZ-OE2 3.26Å; R309-E311 VanDerWaalsContact CZ-OE2 3.26Å; R309-E311 IonicContact NE-OE1 3.06Å; R309-E311 PolarHBondContact NE-OE1 3.41Å; R309-E311 IonicContact NE-OE2 3.35Å; R309-E311 PolarHBondContact NE-OE2 3.47Å; R309-E311 IonicContact NH2-OE1 3.89Å; R309-E311 IonicContact NH2-OE2 2.72Å; R309-E311 PolarHBondContact NH2-OE2 3.3Å
310G83.8Confident90.1Very high52 Ų5232.9 Ų32.954%0.53618%0.182SC..THydrogen-bonded Turntrans77.213.5-176.400000113.5A306 L307 A308A306-G310 PolarHBondContact O-N 3.47Å; A306-G310 VanDerWaalsContact O-N 3.12Å; L307-G310 PolarHBondContact O-N 3.26Å; A308-G310 VanDerWaalsContact C-N 3.27Å
311E85.8Confident90.5Very high62 Ų6237.4 Ų37.429%0.2921%0.206SC..  trans-74.3-30.7176.5-69.8164.6-170.800111.5A271 A306 R309A271-E311 HydrophobicContact CB-CB 4.07Å; A271-E311 HydrophobicContact CB-CG 3.99Å; A306-E311 PolarHBondContact O-N 3.43Å; R309-E311 VanDerWaalsContact C-N 3.26Å; R309-E311 HydrophobicContact CB-CG 3.97Å; R309-E311 VanDerWaalsContact CD-OE1 3.3Å; R309-E311 WeakPolarHBondContact CD-OE1 3.42Å; R309-E311 IonicContact CZ-OE1 3.75Å; R309-E311 IonicContact CZ-OE2 3.26Å; R309-E311 VanDerWaalsContact CZ-OE2 3.26Å; R309-E311 IonicContact NE-OE1 3.06Å; R309-E311 PolarHBondContact NE-OE1 3.41Å; R309-E311 IonicContact NE-OE2 3.35Å; R309-E311 PolarHBondContact NE-OE2 3.47Å; R309-E311 IonicContact NH2-OE1 3.89Å; R309-E311 IonicContact NH2-OE2 2.72Å; R309-E311 PolarHBondContact NH2-OE2 3.3Å
312L90.3Very high90.9Very high5 Ų533.7 Ų33.73%0.02619%0.185CC..  trans-100.2120.2174.4178.760.6000110.2L267 L270 L279 L303 A306 L307 C314L267-L312 HydrophobicContact CD2-CD2 4.18Å; L270-L312 HydrophobicContact CD1-CD1 3.81Å; L279-L312 HydrophobicContact CB-CD1 3.92Å; L279-L312 HydrophobicContact CD2-CD1 3.81Å; L303-L312 HydrophobicContact CD2-CD2 3.84Å; A306-L312 HydrophobicContact CB-CB 3.81Å; A306-L312 PolarHBondContact O-N 2.89Å; L307-L312 HydrophobicContact CD2-CB 4.14Å; L307-L312 HydrophobicContact CD2-CD2 3.87Å; L307-L312 HydrophobicContact CD2-CG 3.91Å; L307-L312 HydrophobicContact CG-CB 4.46Å; L307-L312 HydrophobicContact CG-CD2 4Å; L307-L312 HydrophobicContact CG-CG 4.44Å; L312-C314 HydrophobicContact CD1-CB 4.18Å; L312-C314 HydrophobicContact CG-CB 4.29Å
313H91.4Very high91.2Very high17 Ų1732.2 Ų32.28%0.07918%0.177CC..  trans-116.2120.7168.7-158.1-89000107.8L198 N205 I278 L279L198-H313 WeakPolarHBondContact CD2-CE1 3.41Å; L198-H313 WeakPolarHBondContact CD2-ND1 3.25Å; L198-H313 PolarHBondContact O-CE1 2.86Å; L198-H313 VanDerWaalsContact O-CE1 3.31Å; L198-H313 PolarHBondContact O-NE2 2.87Å; N205-H313 WeakPolarHBondContact OD1-CA 2.94Å; I278-H313 WeakPolarHBondContact CA-O 3.34Å; L279-H313 PolarHBondContact N-O 2.92Å
314C95.8Very high91.2Very high0 Ų035 Ų350%019%0.187CC..EExtended strand (participates in β ladder)trans-143158-169.365.60000114.6N205 P206 L279 L312N205-C314 WeakPolarHBondContact CA-O 3.47Å; N205-C314 WeakPolarHBondContact CB-O 3.22Å; N205-C314 PolarHBondContact OD1-N 3.3Å; P206-C314 WeakPolarHBondContact CD-O 3.13Å; L279-C314 HydrophobicContact CB-CB 4.18Å; L279-C314 CarbonylContact O-C 3.52Å; L279-C314 WeakPolarHBondContact O-CA 3.44Å; L279-C314 WeakPolarHBondContact O-CB 3.33Å; L312-C314 HydrophobicContact CD1-CB 4.18Å; L312-C314 HydrophobicContact CG-CB 4.29Å
315V98.5Very high91Very high0 Ų037.3 Ų37.30%020%0.199CC..EExtended strand (participates in β ladder)trans-110124.2164.2-176.10000106.9T194 L198 P206 L208 V220 L223 I278 L279 F280 I281T194-V315 HydrophobicContact CG2-CG1 4.45Å; T194-V315 HydrophobicContact CG2-CG2 4.21Å; L198-V315 HydrophobicContact CD1-CG2 4.46Å; L198-V315 HydrophobicContact CD2-CG2 4.11Å; P206-V315 HydrophobicContact CG-CB 4.27Å; P206-V315 HydrophobicContact CG-CG1 4.14Å; P206-V315 HydrophobicContact CG-CG2 3.82Å; P206-V315 WeakPolarHBondContact O-CA 3.44Å; L208-V315 HydrophobicContact CD1-CG1 4.06Å; L208-V315 HydrophobicContact CG-CG1 3.99Å; V220-V315 HydrophobicContact CG2-CG1 4Å; L223-V315 HydrophobicContact CD2-CG2 4.24Å; I278-V315 HydrophobicContact CG2-CG2 3.75Å; L279-V315 PolarHBondContact O-N 3.46Å; F280-V315 WeakPolarHBondContact CA-O 3.17Å; F280-V315 HydrophobicContact CD2-CB 4.26Å; F280-V315 HydrophobicContact CD2-CG1 4.33Å; F280-V315 WeakPolarHBondContact CD2-O 3.4Å; I281-V315 PolarHBondContact N-O 3.14Å
316G97.2Very high90.8Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-99.5152.6172.300000111.8P206 V207 L208 I281P206-G316 PolarHBondContact O-N 3.46Å; V207-G316 CarbonylContact C-O 3.54Å; V207-G316 WeakPolarHBondContact CA-O 3.41Å; L208-G316 PolarHBondContact N-O 2.9Å; I281-G316 WeakPolarHBondContact O-CA 3.4Å
317A97.6Very high90.7Very high0 Ų037.8 Ų37.80%020%0.195CC..EExtended strand (participates in β ladder)trans-126140.1165.100000110.7L208 K216 F280 I281 D282 E283 L284L208-A317 HydrophobicContact CB-CB 4.35Å; L208-A317 WeakPolarHBondContact O-CA 3.5Å; K216-A317 HydrophobicContact CB-CB 4.09Å; K216-A317 HydrophobicContact CD-CB 3.99Å; F280-A317 HydrophobicContact CE2-CB 3.78Å; F280-A317 HydrophobicContact CZ-CB 4.08Å; I281-A317 PolarHBondContact O-N 3.2Å; D282-A317 WeakPolarHBondContact OD1-CB 3.38Å; E283-A317 CarbonylContact C-O 3.6Å; E283-A317 VanDerWaalsContact CA-O 3.28Å; E283-A317 WeakPolarHBondContact CA-O 3.42Å; E283-A317 PolarHBondContact N-O 3.09Å; L284-A317 PolarHBondContact N-O 3.05Å
318T95.2Very high90.6Very high3 Ų341.1 Ų41.12%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-167.8170.8-179.1-1640000110.2V207 L208 I209 G210 H285 E322 Y323 I327V207-T318 HydrophobicContact CG1-CG2 3.69Å; L208-T318 PolarHBondContact O-N 3.44Å; L208-T318 VanDerWaalsContact O-N 3.1Å; I209-T318 WeakPolarHBondContact CA-O 3.17Å; G210-T318 PolarHBondContact N-O 3.22Å; H285-T318 PolarHBondContact ND1-OG1 2.99Å; T318-E322 WeakPolarHBondContact OG1-CB 3.33Å; T318-E322 PolarHBondContact OG1-OE2 2.87Å; T318-Y323 HydrophobicContact CG2-CD2 4.28Å; T318-I327 HydrophobicContact CG2-CD1 4.34Å
319T93.9Very high90.6Very high18 Ų1845.9 Ų45.911%0.1122%0.22CC..  trans-81.5165.2171.270.60000112P212 D321 E322 Y323P212-T319 HydrophobicContact CG-CG2 4.27Å; T319-D321 VanDerWaalsContact C-N 3.32Å; T319-D321 PolarHBondContact O-N 3.41Å; T319-E322 PolarHBondContact N-OE2 2.89Å; T319-E322 WeakPolarHBondContact OG1-CB 3.46Å; T319-E322 VanDerWaalsContact OG1-CG 3.25Å; T319-E322 WeakPolarHBondContact OG1-CG 3.32Å; T319-E322 PolarHBondContact OG1-N 3.41Å; T319-E322 PolarHBondContact OG1-OE1 2.82Å; T319-E322 PolarHBondContact OG1-OE2 3.46Å; T319-E322 VanDerWaalsContact OG1-OE2 3.08Å; T319-Y323 WeakPolarHBondContact O-CB 3.2Å; T319-Y323 PolarHBondContact O-N 2.71Å
320L90.1Very high90.7Very high39 Ų3940.6 Ų40.620%0.20420%0.203CC..Hα-helixtrans-62.7-40.9179.2179.962.7000111.9I209 Y323 R324I209-L320 VanDerWaalsContact CG2-CA 3.47Å; I209-L320 HydrophobicContact CG2-CB 3.77Å; I209-L320 HydrophobicContact CG2-CD1 3.89Å; I209-L320 HydrophobicContact CG2-CG 4.46Å; L320-Y323 PolarHBondContact O-N 3.32Å; L320-R324 WeakPolarHBondContact O-CG 3.16Å; L320-R324 PolarHBondContact O-N 3.48Å
321D88.5Confident90.9Very high95 Ų9540.2 Ų40.251%0.50820%0.195SC..Hα-helixtrans-68.7-44.6-176.7-65.9-16.5000111.1T319 Y323 R324 Q325T319-D321 VanDerWaalsContact C-N 3.32Å; T319-D321 PolarHBondContact O-N 3.41Å; D321-Y323 PolarHBondContact O-N 2.92Å; D321-R324 PolarHBondContact O-N 2.95Å; D321-Q325 VanDerWaalsContact O-CB 3.27Å; D321-Q325 WeakPolarHBondContact O-CB 3.49Å; D321-Q325 PolarHBondContact O-N 3.01Å
322E90.4Very high90.9Very high46 Ų4639.4 Ų39.422%0.21520%0.199CC..Hα-helixtrans-61.1-43.1173.9-72.7154.2-163.200112.1H285 T318 T319 R324 Q325 Y326H285-E322 HydrophobicContact CB-CB 3.83Å; H285-E322 HydrophobicContact CB-CG 4.27Å; H285-E322 IonicContact CE1-OE1 3.39Å; H285-E322 PolarHBondContact CE1-OE1 3.31Å; H285-E322 IonicContact CE1-OE2 2.84Å; H285-E322 PolarHBondContact CE1-OE2 3.44Å; H285-E322 IonicContact CG-OE2 3.89Å; H285-E322 IonicContact ND1-OE1 2.7Å; H285-E322 IonicContact ND1-OE2 3.24Å; H285-E322 PolarHBondContact ND1-OE2 3.14Å; H285-E322 IonicContact NE2-OE1 3.59Å; H285-E322 IonicContact NE2-OE2 3.95Å; T318-E322 WeakPolarHBondContact OG1-CB 3.33Å; T318-E322 PolarHBondContact OG1-OE2 2.87Å; T319-E322 PolarHBondContact N-OE2 2.89Å; T319-E322 WeakPolarHBondContact OG1-CB 3.46Å; T319-E322 VanDerWaalsContact OG1-CG 3.25Å; T319-E322 WeakPolarHBondContact OG1-CG 3.32Å; T319-E322 PolarHBondContact OG1-N 3.41Å; T319-E322 PolarHBondContact OG1-OE1 2.82Å; T319-E322 PolarHBondContact OG1-OE2 3.46Å; T319-E322 VanDerWaalsContact OG1-OE2 3.08Å; E322-R324 PolarHBondContact O-N 3.43Å; E322-Q325 PolarHBondContact O-N 3.48Å; E322-Y326 HydrophobicContact CB-CD2 4.24Å; E322-Y326 WeakPolarHBondContact O-CB 3.05Å; E322-Y326 VanDerWaalsContact O-CD2 3.28Å; E322-Y326 WeakPolarHBondContact O-CD2 3.37Å; E322-Y326 PolarHBondContact O-N 3.19Å
323Y91.6Very high90.9Very high11 Ų1139.2 Ų39.24%0.04320%0.198CC..Iπ-helixtrans-58.9-49.1176.7-177.1-91.6000111.1V207 I209 T318 T319 L320 D321 Q325 I327 E328V207-Y323 HydrophobicContact CB-CD2 4.3Å; V207-Y323 HydrophobicContact CB-CE2 4.04Å; V207-Y323 HydrophobicContact CG1-CD2 3.88Å; V207-Y323 HydrophobicContact CG1-CE2 4.13Å; V207-Y323 HydrophobicContact CG2-CE2 4.12Å; I209-Y323 HydrophobicContact CD1-CD1 3.67Å; I209-Y323 HydrophobicContact CD1-CD2 3.64Å; I209-Y323 HydrophobicContact CD1-CE1 4.05Å; I209-Y323 HydrophobicContact CD1-CE2 4.03Å; I209-Y323 HydrophobicContact CD1-CG 3.44Å; I209-Y323 VanDerWaalsContact CD1-CG 3.44Å; I209-Y323 HydrophobicContact CG1-CD2 4.19Å; I209-Y323 HydrophobicContact CG1-CG 4.25Å; T318-Y323 HydrophobicContact CG2-CD2 4.28Å; T319-Y323 WeakPolarHBondContact O-CB 3.2Å; T319-Y323 PolarHBondContact O-N 2.71Å; L320-Y323 PolarHBondContact O-N 3.32Å; D321-Y323 PolarHBondContact O-N 2.92Å; Y323-Q325 VanDerWaalsContact C-N 3.34Å; Y323-Q325 PolarHBondContact O-N 3.32Å; Y323-I327 HydrophobicContact CD2-CB 3.85Å; Y323-I327 HydrophobicContact CD2-CD1 3.8Å; Y323-I327 HydrophobicContact CD2-CG1 4.38Å; Y323-I327 HydrophobicContact CD2-CG2 3.94Å; Y323-I327 HydrophobicContact CE2-CB 3.98Å; Y323-I327 HydrophobicContact CE2-CD1 4.33Å; Y323-I327 HydrophobicContact CE2-CG2 3.53Å; Y323-I327 HydrophobicContact CG-CB 4.34Å; Y323-I327 CarbonylContact O-C 3.24Å; Y323-I327 WeakPolarHBondContact O-CA 3.12Å; Y323-I327 WeakPolarHBondContact O-CB 3.42Å; Y323-I327 PolarHBondContact O-N 3.07Å; Y323-E328 HydrophobicContact CD1-CB 4.06Å; Y323-E328 HydrophobicContact CE1-CB 3.86Å; Y323-E328 HydrophobicContact CE1-CG 4.32Å; Y323-E328 PolarHBondContact O-N 3.05Å
324R88.9Confident90.8Very high60 Ų6041.8 Ų41.823%0.22621%0.21CC..Iπ-helixtrans-61.1-43177.9-77.7169.7168.9179.1-1.9111.8L320 D321 E322 E328 K329 E661L320-R324 WeakPolarHBondContact O-CG 3.16Å; L320-R324 PolarHBondContact O-N 3.48Å; D321-R324 PolarHBondContact O-N 2.95Å; E322-R324 PolarHBondContact O-N 3.43Å; R324-E328 WeakPolarHBondContact CG-OE2 3.27Å; R324-K329 WeakPolarHBondContact O-CG 3.5Å; R324-E661 WeakPolarHBondContact CD-OE2 2.92Å; R324-E661 IonicContact NE-OE1 3.26Å; R324-E661 PolarHBondContact NH1-O 3.25Å
325Q86.3Confident90.5Very high105 Ų10548.7 Ų48.749%0.49124%0.236SC..Iπ-helixtrans-71.5-42.2-175.5-175.3172.6-2.100112.8D321 E322 Y323D321-Q325 VanDerWaalsContact O-CB 3.27Å; D321-Q325 WeakPolarHBondContact O-CB 3.49Å; D321-Q325 PolarHBondContact O-N 3.01Å; E322-Q325 PolarHBondContact O-N 3.48Å; Y323-Q325 VanDerWaalsContact C-N 3.34Å; Y323-Q325 PolarHBondContact O-N 3.32Å
326Y86.7Confident90.2Very high64 Ų6452.5 Ų52.525%0.25125%0.25SS..Iπ-helixtrans-113.9-26.9-165.9-60-65.4000114.8H285 G289 E322H285-Y326 HydrophobicContact CB-CD2 3.95Å; G289-Y326 VanDerWaalsContact O-CD1 3.25Å; G289-Y326 WeakPolarHBondContact O-CD1 3.31Å; G289-Y326 VanDerWaalsContact O-CE1 3.28Å; G289-Y326 WeakPolarHBondContact O-CE1 3.45Å; E322-Y326 HydrophobicContact CB-CD2 4.24Å; E322-Y326 WeakPolarHBondContact O-CB 3.05Å; E322-Y326 VanDerWaalsContact O-CD2 3.28Å; E322-Y326 WeakPolarHBondContact O-CD2 3.37Å; E322-Y326 PolarHBondContact O-N 3.19Å
327I88.7Confident90.1Very high0 Ų052.6 Ų52.60%025%0.251CS..Iπ-helixtrans-107.9-49.4-173.3-60.1172.9000111.2L284 V288 T318 Y323 K329 D330 L333 F337L284-I327 HydrophobicContact CD2-CD1 3.79Å; L284-I327 HydrophobicContact CG-CD1 4.12Å; V288-I327 HydrophobicContact CG2-CD1 4.4Å; V288-I327 HydrophobicContact CG2-CG1 3.87Å; T318-I327 HydrophobicContact CG2-CD1 4.34Å; Y323-I327 HydrophobicContact CD2-CB 3.85Å; Y323-I327 HydrophobicContact CD2-CD1 3.8Å; Y323-I327 HydrophobicContact CD2-CG1 4.38Å; Y323-I327 HydrophobicContact CD2-CG2 3.94Å; Y323-I327 HydrophobicContact CE2-CB 3.98Å; Y323-I327 HydrophobicContact CE2-CD1 4.33Å; Y323-I327 HydrophobicContact CE2-CG2 3.53Å; Y323-I327 HydrophobicContact CG-CB 4.34Å; Y323-I327 CarbonylContact O-C 3.24Å; Y323-I327 WeakPolarHBondContact O-CA 3.12Å; Y323-I327 WeakPolarHBondContact O-CB 3.42Å; Y323-I327 PolarHBondContact O-N 3.07Å; I327-K329 PolarHBondContact O-N 3.33Å; I327-D330 PolarHBondContact O-N 3.26Å; I327-L333 HydrophobicContact CG2-CB 4.11Å; I327-F337 HydrophobicContact CG2-CB 4.47Å; I327-F337 HydrophobicContact CG2-CD2 4.14Å
328E88Confident90.1Very high76 Ų7654.3 Ų54.336%0.35526%0.259SS..Iπ-helixtrans-67-35.1-175-170.2162-157.800112.6Y323 R324 D330Y323-E328 HydrophobicContact CD1-CB 4.06Å; Y323-E328 HydrophobicContact CE1-CB 3.86Å; Y323-E328 HydrophobicContact CE1-CG 4.32Å; Y323-E328 PolarHBondContact O-N 3.05Å; R324-E328 WeakPolarHBondContact CG-OE2 3.27Å; E328-D330 VanDerWaalsContact C-N 3.31Å; E328-D330 PolarHBondContact O-N 3.03Å
329K87.1Confident90.1Very high159 Ų15959.8 Ų59.869%0.69128%0.282SS*.THydrogen-bonded Turntrans-74.3-19.5176.8-70.6175.5-174.4175.80113.5R324 I327R324-K329 WeakPolarHBondContact O-CG 3.5Å; I327-K329 PolarHBondContact O-N 3.33Å
330D88.2Confident90.2Very high40 Ų4059.2 Ų59.221%0.21428%0.279CS..  trans-91.1105.6-179.6-170.9-41.4000110.9K304 I327 E328 A332 L333 E334K304-D330 WeakPolarHBondContact CE-OD2 3.48Å; K304-D330 IonicContact NZ-OD2 3.88Å; K304-D330 PolarHBondContact NZ-OD2 2.72Å; I327-D330 PolarHBondContact O-N 3.26Å; E328-D330 VanDerWaalsContact C-N 3.31Å; E328-D330 PolarHBondContact O-N 3.03Å; D330-A332 PolarHBondContact O-N 3.34Å; D330-A332 WeakPolarHBondContact OD1-CA 3.19Å; D330-A332 VanDerWaalsContact OD1-CB 3.24Å; D330-A332 WeakPolarHBondContact OD1-CB 3.15Å; D330-A332 PolarHBondContact OD1-N 3.32Å; D330-L333 HydrophobicContact CB-CB 4.23Å; D330-L333 HydrophobicContact CB-CD1 3.95Å; D330-L333 HydrophobicContact CB-CG 4.06Å; D330-L333 PolarHBondContact O-N 2.95Å; D330-L333 PolarHBondContact OD1-N 2.87Å; D330-E334 WeakPolarHBondContact O-CB 3.24Å; D330-E334 PolarHBondContact O-N 3.31Å
331A87.5Confident90.5Very high45 Ų4563.9 Ų63.937%0.37230%0.297SS..Hα-helixtrans-60-21.5-178.300000114.4R335A331-R335 WeakPolarHBondContact O-CG 3.28Å; A331-R335 PolarHBondContact O-NH1 3.19Å
332A86.8Confident90.9Very high45 Ų4559.4 Ų59.437%0.37227%0.274SS..Hα-helixtrans-74.5-41.9174.700000111K304 D330 R336K304-A332 HydrophobicContact CD-CB 4.38Å; D330-A332 PolarHBondContact O-N 3.34Å; D330-A332 WeakPolarHBondContact OD1-CA 3.19Å; D330-A332 VanDerWaalsContact OD1-CB 3.24Å; D330-A332 WeakPolarHBondContact OD1-CB 3.15Å; D330-A332 PolarHBondContact OD1-N 3.32Å; A332-R336 WeakPolarHBondContact O-CG 3.16Å
333L90.6Very high91.1Very high1 Ų159.1 Ų59.11%0.00528%0.279CS..Hα-helixtrans-78.3-42.6-179.8-56.7177.6000111.7V288 K304 L307 I327 D330 R335 R336 F337V288-L333 HydrophobicContact CB-CD1 3.74Å; V288-L333 HydrophobicContact CG1-CD1 4.28Å; V288-L333 HydrophobicContact CG1-CD2 4.49Å; V288-L333 HydrophobicContact CG2-CD1 3.91Å; K304-L333 HydrophobicContact CD-CD2 4.47Å; K304-L333 HydrophobicContact CG-CD2 3.7Å; L307-L333 HydrophobicContact CD1-CD2 4.27Å; I327-L333 HydrophobicContact CG2-CB 4.11Å; D330-L333 HydrophobicContact CB-CB 4.23Å; D330-L333 HydrophobicContact CB-CD1 3.95Å; D330-L333 HydrophobicContact CB-CG 4.06Å; D330-L333 PolarHBondContact O-N 2.95Å; D330-L333 PolarHBondContact OD1-N 2.87Å; L333-R335 PolarHBondContact O-N 3.11Å; L333-R335 VanDerWaalsContact O-N 3.1Å; L333-R336 WeakPolarHBondContact O-CA 3.37Å; L333-R336 PolarHBondContact O-N 2.97Å; L333-F337 HydrophobicContact CB-CD2 4.02Å; L333-F337 HydrophobicContact CB-CE2 4.27Å; L333-F337 HydrophobicContact CD2-CE2 4.06Å; L333-F337 WeakPolarHBondContact O-CD2 3.48Å; L333-F337 PolarHBondContact O-N 3.49Å
334E88.4Confident91.2Very high70 Ų7062.1 Ų62.133%0.32729%0.294SS..Hα-helixtrans-58.8-28.4-176.9-166.4-113.1129.300112.8K203 D330K203-E334 WeakPolarHBondContact CE-O 3.23Å; K203-E334 PolarHBondContact NZ-O 3.14Å; K203-E334 IonicContact NZ-OE1 3.48Å; K203-E334 PolarHBondContact NZ-OE1 3.33Å; D330-E334 WeakPolarHBondContact O-CB 3.24Å; D330-E334 PolarHBondContact O-N 3.31Å
335R90.2Very high91.5Very high146 Ų14659.8 Ų59.855%0.55129%0.287SS*.THydrogen-bonded Turntrans-81.2-8.4174.6-65.4-175.7-168108.3-7.3114.5K203 A331 L333K203-R335 WeakPolarHBondContact CG-O 3.18Å; A331-R335 WeakPolarHBondContact O-CG 3.28Å; A331-R335 PolarHBondContact O-NH1 3.19Å; L333-R335 PolarHBondContact O-N 3.11Å; L333-R335 VanDerWaalsContact O-N 3.1Å
336R92.6Very high91.8Very high79 Ų7957.3 Ų57.330%0.29828%0.281SS..THydrogen-bonded Turntrans-112-29-177-62.9-62.9-179.2-77.2-1.3112.9K203 N204 N205 L307 A332 L333K203-R336 CarbonylContact C-O 3.55Å; K203-R336 WeakPolarHBondContact CA-O 3.43Å; N204-R336 PolarHBondContact N-O 2.85Å; N205-R336 PolarHBondContact N-O 2.92Å; N205-R336 PolarHBondContact ND2-O 2.92Å; L307-R336 HydrophobicContact CB-CG 4.32Å; L307-R336 PolarHBondContact O-NE 2.81Å; A332-R336 WeakPolarHBondContact O-CG 3.16Å; L333-R336 WeakPolarHBondContact O-CA 3.37Å; L333-R336 PolarHBondContact O-N 2.97Å
337F95.8Very high92.2Very high2 Ų256 Ų561%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-99.9149.6-178.2-70.5-70.7000113.3N205 V207 L284 L307 I327 L333N205-F337 HydrophobicContact CB-CD1 3.45Å; N205-F337 VanDerWaalsContact CB-CD1 3.45Å; N205-F337 HydrophobicContact CB-CE1 3.54Å; N205-F337 HydrophobicContact CB-CG 4.39Å; N205-F337 CarbonylContact O-C 3.46Å; N205-F337 VanDerWaalsContact O-CA 3.22Å; N205-F337 WeakPolarHBondContact O-CA 3.32Å; N205-F337 WeakPolarHBondContact O-CD1 3.32Å; V207-F337 HydrophobicContact CG2-CB 3.71Å; V207-F337 HydrophobicContact CG2-CD1 3.25Å; V207-F337 HydrophobicContact CG2-CE1 4.03Å; V207-F337 HydrophobicContact CG2-CG 3.64Å; L284-F337 HydrophobicContact CD1-CZ 4.48Å; L284-F337 HydrophobicContact CD2-CD1 4.3Å; L284-F337 HydrophobicContact CD2-CE1 3.76Å; L284-F337 HydrophobicContact CD2-CE2 4.37Å; L284-F337 HydrophobicContact CD2-CZ 3.81Å; L307-F337 HydrophobicContact CD1-CE2 3.8Å; L307-F337 HydrophobicContact CD1-CZ 3.81Å; L307-F337 HydrophobicContact CD2-CZ 4.32Å; I327-F337 HydrophobicContact CG2-CB 4.47Å; I327-F337 HydrophobicContact CG2-CD2 4.14Å; L333-F337 HydrophobicContact CB-CD2 4.02Å; L333-F337 HydrophobicContact CB-CE2 4.27Å; L333-F337 HydrophobicContact CD2-CE2 4.06Å; L333-F337 WeakPolarHBondContact O-CD2 3.48Å; L333-F337 PolarHBondContact O-N 3.49Å
338Q95.7Very high92.5Very high37 Ų3763.5 Ų63.517%0.17331%0.314CS..EExtended strand (participates in β ladder)trans-130124.517217462.262.900109.7V197 K203 N205 P206 V207V197-Q338 HydrophobicContact CG1-CB 3.64Å; V197-Q338 HydrophobicContact CG1-CG 4.02Å; V197-Q338 HydrophobicContact CG2-CB 4.25Å; V197-Q338 HydrophobicContact CG2-CG 3.67Å; K203-Q338 HydrophobicContact CB-CB 4.16Å; K203-Q338 WeakPolarHBondContact O-CB 3.39Å; N205-Q338 PolarHBondContact O-N 3.39Å; P206-Q338 CarbonylContact C-O 3.51Å; P206-Q338 VanDerWaalsContact CA-O 3.3Å; P206-Q338 WeakPolarHBondContact CA-O 3.39Å; V207-Q338 PolarHBondContact N-O 2.95Å
339K95.7Very high92.9Very high117 Ų11763.4 Ų63.451%0.50932%0.316SS..EExtended strand (participates in β ladder)trans-64.8140.9176.863.5-176.3-179.2-1730113.1I209I209-K339 HydrophobicContact CD1-CB 3.49Å; I209-K339 VanDerWaalsContact CD1-CB 3.49Å; I209-K339 HydrophobicContact CG1-CB 4.34Å
340V97.1Very high93.5Very high6 Ų655.9 Ų55.94%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-130.6111.6168.3-179.10000106.1R193 V197 P206 V207 L208 I209R193-V340 HydrophobicContact CB-CG1 4.29Å; R193-V340 HydrophobicContact CG-CG1 3.93Å; R193-V340 HydrophobicContact CG-CG2 3.97Å; V197-V340 HydrophobicContact CG2-CG2 4.23Å; P206-V340 HydrophobicContact CB-CG2 3.92Å; V207-V340 PolarHBondContact O-N 3.24Å; L208-V340 CarbonylContact C-O 3.23Å; L208-V340 WeakPolarHBondContact CA-O 3.25Å; L208-V340 HydrophobicContact CD2-CB 4.02Å; L208-V340 HydrophobicContact CD2-CG1 4Å; I209-V340 PolarHBondContact N-O 3.18Å
341F96.4Very high94Very high137 Ų13755 Ų5560%0.60128%0.279SS*.EExtended strand (participates in β ladder)trans-78.4134.8-178.7-173.5-105.6000110I209 A343I209-F341 CarbonylContact O-C 3.59Å; I209-F341 WeakPolarHBondContact O-CA 3.39Å; F341-A343 HydrophobicContact CD1-CB 4.3Å; F341-A343 HydrophobicContact CE1-CB 3.81Å
342V96.8Very high94.5Very high1 Ų154.7 Ų54.71%0.00628%0.276CS..  trans-118.7101.9177.8-174.40000107.2L208 I209 V214 K216 I219L208-V342 HydrophobicContact CB-CG2 4.06Å; L208-V342 HydrophobicContact CD2-CG2 4.18Å; I209-V342 PolarHBondContact O-N 2.98Å; V214-V342 HydrophobicContact CB-CG1 4.45Å; V214-V342 HydrophobicContact CG2-CB 4.17Å; V214-V342 HydrophobicContact CG2-CG1 3.69Å; K216-V342 HydrophobicContact CG-CB 4.43Å; K216-V342 HydrophobicContact CG-CG2 4.44Å; I219-V342 HydrophobicContact CD1-CB 4.17Å; I219-V342 HydrophobicContact CD1-CG1 3.58Å; I219-V342 HydrophobicContact CD1-CG2 3.45Å; I219-V342 VanDerWaalsContact CD1-CG2 3.45Å
343A93.1Very high95Very high41 Ų4153.4 Ų53.434%0.33926%0.263SS..PPolyproline II helixtrans-75151.8178.500000110.9R187 F341R187-A343 PolarHBondContact NH1-O 3.4Å; R187-A343 PolarHBondContact NH2-O 2.84Å; F341-A343 HydrophobicContact CD1-CB 4.3Å; F341-A343 HydrophobicContact CE1-CB 3.81Å
344E94.6Very high95.4Very high74 Ų7453.6 Ų53.635%0.34626%0.264SS..PPolyproline II helixtrans-54.8130.7161.6-174.4175.3-176.700108.7V214 Q389 L390 K393V214-E344 HydrophobicContact CG1-CB 4.24Å; E344-Q389 HydrophobicContact CG-CB 4.11Å; E344-Q389 WeakPolarHBondContact OE1-CA 3.41Å; E344-L390 HydrophobicContact CG-CB 3.86Å; E344-L390 WeakPolarHBondContact OE1-CG 3.1Å; E344-L390 PolarHBondContact OE1-N 3.35Å; E344-K393 IonicContact OE1-NZ 2.64Å
345P95.1Very high95.8Very high11 Ų1156 Ų567%0.07127%0.27CS..PPolyproline II helixtrans-68157.1178.131.1-32.8000110.7D349 I353 L390 P391P345-D349 HydrophobicContact CB-CB 3.9Å; P345-I353 HydrophobicContact CB-CD1 4.28Å; P345-I353 HydrophobicContact CG-CD1 4.3Å; P345-L390 WeakPolarHBondContact CD-O 3.32Å; P345-L390 HydrophobicContact CG-CB 3.92Å; P345-P391 HydrophobicContact CG-CB 4.37Å; P345-P391 HydrophobicContact CG-CG 4.44Å
346S93.7Very high96.1Very high53 Ų5350.7 Ų50.737%0.37126%0.26SS..PPolyproline II helixtrans-67.3167.1172.371.90000111.4E348 D349 T350S346-E348 VanDerWaalsContact C-N 3.25Å; S346-E348 PolarHBondContact O-N 3.22Å; S346-E348 PolarHBondContact OG-N 3.44Å; S346-D349 WeakPolarHBondContact CB-OD2 3.41Å; S346-D349 PolarHBondContact N-OD2 3.13Å; S346-D349 PolarHBondContact O-N 3.02Å; S346-D349 PolarHBondContact OG-N 3.45Å; S346-D349 PolarHBondContact OG-OD2 2.93Å; S346-T350 WeakPolarHBondContact O-CB 3.26Å; S346-T350 PolarHBondContact O-N 2.99Å; S346-T350 PolarHBondContact O-OG1 3.39Å
347V94Very high96.3Very high35 Ų3547.4 Ų47.421%0.21225%0.249CC..Hα-helixtrans-59.3-40.2172.5177.30000110.6T350 I351 A378 H382 L390V347-T350 PolarHBondContact O-N 3.02Å; V347-I351 HydrophobicContact CG1-CD1 4.18Å; V347-I351 WeakPolarHBondContact O-CG1 3.46Å; V347-I351 PolarHBondContact O-N 3.19Å; V347-A378 HydrophobicContact CG1-CB 4.02Å; V347-H382 HydrophobicContact CG2-CB 3.91Å; V347-H382 VanDerWaalsContact CG2-CD2 3.49Å; V347-H382 WeakPolarHBondContact CG2-CD2 3.45Å; V347-L390 HydrophobicContact CG2-CD1 4.24Å
348E95.7Very high96.3Very high158 Ų15850.4 Ų50.474%0.73826%0.261SS*.Hα-helixtrans-65-45.8178-65.6-176.617700112S346 T350 I351 A352S346-E348 VanDerWaalsContact C-N 3.25Å; S346-E348 PolarHBondContact O-N 3.22Å; S346-E348 PolarHBondContact OG-N 3.44Å; E348-T350 VanDerWaalsContact C-N 3.27Å; E348-T350 PolarHBondContact O-N 3.33Å; E348-I351 WeakPolarHBondContact O-CB 3.35Å; E348-I351 PolarHBondContact O-N 3.43Å; E348-A352 PolarHBondContact O-N 2.88Å
349D96.7Very high96.1Very high75 Ų7552.7 Ų52.740%0.40127%0.272SS..Hα-helixtrans-62.4-38.8175.3-62.6-42.3000110.9P345 S346 I351 A352 I353P345-D349 HydrophobicContact CB-CB 3.9Å; S346-D349 WeakPolarHBondContact CB-OD2 3.41Å; S346-D349 PolarHBondContact N-OD2 3.13Å; S346-D349 PolarHBondContact O-N 3.02Å; S346-D349 PolarHBondContact OG-N 3.45Å; S346-D349 PolarHBondContact OG-OD2 2.93Å; D349-I351 PolarHBondContact O-N 3.08Å; D349-A352 WeakPolarHBondContact O-CB 3.44Å; D349-A352 PolarHBondContact O-N 3.39Å; D349-A352 VanDerWaalsContact O-N 3.16Å; D349-I353 VanDerWaalsContact O-CG1 3.29Å; D349-I353 WeakPolarHBondContact O-CG1 3.29Å; D349-I353 PolarHBondContact O-N 3.39Å
350T98.2Very high96.1Very high0 Ų049.9 Ų49.90%026%0.259CS..Hα-helixtrans-64.9-39.8177.1-570000111.9S346 V347 E348 A352 I353 L354 A378 L390 P391 A394S346-T350 WeakPolarHBondContact O-CB 3.26Å; S346-T350 PolarHBondContact O-N 2.99Å; S346-T350 PolarHBondContact O-OG1 3.39Å; V347-T350 PolarHBondContact O-N 3.02Å; E348-T350 VanDerWaalsContact C-N 3.27Å; E348-T350 PolarHBondContact O-N 3.33Å; T350-A352 VanDerWaalsContact C-N 3.29Å; T350-A352 PolarHBondContact O-N 3.25Å; T350-I353 PolarHBondContact O-N 3.48Å; T350-L354 HydrophobicContact CG2-CD1 4.2Å; T350-L354 HydrophobicContact CG2-CG 4.31Å; T350-L354 WeakPolarHBondContact O-CB 3.42Å; T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 3.04Å; T350-A378 HydrophobicContact CG2-CB 4Å; T350-L390 HydrophobicContact CG2-CD2 4.14Å; T350-P391 HydrophobicContact CG2-CB 3.79Å; T350-A394 HydrophobicContact CG2-CB 3.89Å
351I98.5Very high96.1Very high22 Ų2251.9 Ų51.911%0.11327%0.266CS..Hα-helixtrans-60.2-42.5172.5-70.9164000110.2V347 E348 D349 L354 R355 I374 V375 A378V347-I351 HydrophobicContact CG1-CD1 4.18Å; V347-I351 WeakPolarHBondContact O-CG1 3.46Å; V347-I351 PolarHBondContact O-N 3.19Å; E348-I351 WeakPolarHBondContact O-CB 3.35Å; E348-I351 PolarHBondContact O-N 3.43Å; D349-I351 PolarHBondContact O-N 3.08Å; I351-L354 PolarHBondContact O-N 3.34Å; I351-R355 VanDerWaalsContact CG2-CZ 3.43Å; I351-R355 WeakPolarHBondContact O-CB 3.3Å; I351-R355 VanDerWaalsContact O-CG 3.28Å; I351-R355 WeakPolarHBondContact O-CG 3.26Å; I351-R355 PolarHBondContact O-N 3.01Å; I351-I374 HydrophobicContact CB-CG2 4.47Å; I351-I374 HydrophobicContact CG2-CG2 4.1Å; I351-V375 HydrophobicContact CD1-CB 4.49Å; I351-V375 HydrophobicContact CD1-CG1 4.3Å; I351-V375 HydrophobicContact CD1-CG2 4.21Å; I351-A378 HydrophobicContact CD1-CB 4.44Å; I351-A378 HydrophobicContact CG1-CB 3.69Å
352A98.2Very high96Very high39 Ų3946.2 Ų46.232%0.32224%0.241SC..Hα-helixtrans-63.8-41.717600000112.2I185 E348 D349 T350 R355 G356I185-A352 HydrophobicContact CG2-CB 3.94Å; E348-A352 PolarHBondContact O-N 2.88Å; D349-A352 WeakPolarHBondContact O-CB 3.44Å; D349-A352 PolarHBondContact O-N 3.39Å; D349-A352 VanDerWaalsContact O-N 3.16Å; T350-A352 VanDerWaalsContact C-N 3.29Å; T350-A352 PolarHBondContact O-N 3.25Å; A352-R355 PolarHBondContact O-N 3.43Å; A352-G356 PolarHBondContact O-N 3.39Å
353I98.4Very high95.8Very high17 Ų1747.6 Ų47.69%0.08725%0.248CC..Hα-helixtrans-59.3-53.3174.5-68.9162.7000110.4I185 P345 D349 T350 R355 G356 L357 P391I185-I353 HydrophobicContact CB-CG1 3.94Å; I185-I353 HydrophobicContact CG2-CG1 4.32Å; P345-I353 HydrophobicContact CB-CD1 4.28Å; P345-I353 HydrophobicContact CG-CD1 4.3Å; D349-I353 VanDerWaalsContact O-CG1 3.29Å; D349-I353 WeakPolarHBondContact O-CG1 3.29Å; D349-I353 PolarHBondContact O-N 3.39Å; T350-I353 PolarHBondContact O-N 3.48Å; I353-R355 VanDerWaalsContact C-N 3.3Å; I353-R355 PolarHBondContact O-N 2.83Å; I353-G356 WeakPolarHBondContact O-CA 3.48Å; I353-G356 PolarHBondContact O-N 3.16Å; I353-L357 HydrophobicContact CG2-CD1 3.91Å; I353-L357 HydrophobicContact CG2-CG 4.46Å; I353-L357 WeakPolarHBondContact O-CG 3.26Å; I353-L357 PolarHBondContact O-N 2.82Å; I353-P391 HydrophobicContact CD1-CB 4.18Å; I353-P391 HydrophobicContact CD1-CG 4.16Å; I353-P391 HydrophobicContact CG2-CB 4.2Å; I353-P391 HydrophobicContact CG2-CG 4.37Å
354L98.6Very high95.9Very high6 Ų652 Ų523%0.03126%0.261CS..Hα-helixtrans-60.7-37.6179.9-72.2176.8000112.5T350 I351 G356 L357 K358 I374 A377 A378 A394 I395 I398T350-L354 HydrophobicContact CG2-CD1 4.2Å; T350-L354 HydrophobicContact CG2-CG 4.31Å; T350-L354 WeakPolarHBondContact O-CB 3.42Å; T350-L354 WeakPolarHBondContact O-CG 3.49Å; T350-L354 PolarHBondContact O-N 3.04Å; I351-L354 PolarHBondContact O-N 3.34Å; L354-G356 VanDerWaalsContact C-N 3.32Å; L354-G356 PolarHBondContact O-N 2.68Å; L354-L357 PolarHBondContact O-N 3.11Å; L354-K358 PolarHBondContact O-N 3.46Å; L354-I374 HydrophobicContact CB-CB 4.49Å; L354-I374 HydrophobicContact CB-CG1 4.4Å; L354-I374 HydrophobicContact CB-CG2 3.52Å; L354-I374 HydrophobicContact CD1-CG2 3.94Å; L354-I374 HydrophobicContact CG-CG2 4.4Å; L354-A377 HydrophobicContact CD1-CB 4.2Å; L354-A378 HydrophobicContact CD1-CB 4.34Å; L354-A394 HydrophobicContact CD1-CB 4.01Å; L354-I395 HydrophobicContact CD2-CB 4.36Å; L354-I395 HydrophobicContact CD2-CG1 3.6Å; L354-I398 HydrophobicContact CD1-CG1 4.42Å; L354-I398 HydrophobicContact CD2-CG1 4.19Å
355R97.7Very high95.9Very high121 Ų12149.2 Ų49.246%0.45725%0.248SC..Hα-helixtrans-63-38.2173.3-77172.2176.31570.9112.3I351 A352 I353 L357 K358 D371 I374I351-R355 VanDerWaalsContact CG2-CZ 3.43Å; I351-R355 WeakPolarHBondContact O-CB 3.3Å; I351-R355 VanDerWaalsContact O-CG 3.28Å; I351-R355 WeakPolarHBondContact O-CG 3.26Å; I351-R355 PolarHBondContact O-N 3.01Å; A352-R355 PolarHBondContact O-N 3.43Å; I353-R355 VanDerWaalsContact C-N 3.3Å; I353-R355 PolarHBondContact O-N 2.83Å; R355-L357 VanDerWaalsContact C-N 3.35Å; R355-K358 WeakPolarHBondContact O-CB 3.24Å; R355-D371 IonicContact CZ-OD1 3.25Å; R355-D371 IonicContact CZ-OD2 3.4Å; R355-D371 IonicContact NE-OD1 3.36Å; R355-D371 PolarHBondContact NE-OD1 3.32Å; R355-D371 IonicContact NH2-OD1 2.94Å; R355-D371 PolarHBondContact NH2-OD1 2.82Å; R355-D371 IonicContact NH2-OD2 3.29Å; R355-D371 PolarHBondContact NH2-OD2 2.9Å; R355-I374 HydrophobicContact CG-CD1 3.96Å; R355-I374 HydrophobicContact CG-CG2 4.3Å
356G95.5Very high95.8Very high33 Ų3352.5 Ų52.534%0.3426%0.263SS..Hα-helixtrans-69.6-30.517500000113.6P183 A352 I353 L354P183-G356 WeakPolarHBondContact CG-O 3.35Å; A352-G356 PolarHBondContact O-N 3.39Å; I353-G356 WeakPolarHBondContact O-CA 3.48Å; I353-G356 PolarHBondContact O-N 3.16Å; L354-G356 VanDerWaalsContact C-N 3.32Å; L354-G356 PolarHBondContact O-N 2.68Å
357L96.5Very high95.8Very high11 Ų1150.1 Ų50.16%0.05825%0.246CC..Hα-helixtrans-86.3-17.4177.3-62.8176.1000113.6D182 P183 I353 L354 R355 E359 R360 Y361 I395D182-L357 HydrophobicContact CB-CD2 3.73Å; P183-L357 HydrophobicContact CG-CD2 4.45Å; I353-L357 HydrophobicContact CG2-CD1 3.91Å; I353-L357 HydrophobicContact CG2-CG 4.46Å; I353-L357 WeakPolarHBondContact O-CG 3.26Å; I353-L357 PolarHBondContact O-N 2.82Å; L354-L357 PolarHBondContact O-N 3.11Å; R355-L357 VanDerWaalsContact C-N 3.35Å; L357-E359 PolarHBondContact O-N 3.26Å; L357-R360 PolarHBondContact O-N 3.49Å; L357-Y361 HydrophobicContact CB-CD2 4.02Å; L357-Y361 HydrophobicContact CB-CE2 4.06Å; L357-Y361 HydrophobicContact CD1-CE2 4.36Å; L357-Y361 PolarHBondContact O-N 3.18Å; L357-I395 HydrophobicContact CD1-CD1 3.78Å; L357-I395 HydrophobicContact CD1-CG1 4.11Å
358K96.4Very high95.8Very high64 Ų6449.3 Ų49.328%0.27824%0.24SC..Hα-helixtrans-45.3-54.2-172.7175.4-179.3165.6163.90113.2L354 R355 R360 Y361 E362 I369 I374L354-K358 PolarHBondContact O-N 3.46Å; R355-K358 WeakPolarHBondContact O-CB 3.24Å; K358-R360 VanDerWaalsContact C-N 3.25Å; K358-R360 PolarHBondContact O-N 3.38Å; K358-Y361 PolarHBondContact O-N 2.87Å; K358-E362 WeakPolarHBondContact CE-OE1 3.48Å; K358-E362 HydrophobicContact CG-CG 4.26Å; K358-E362 IonicContact NZ-OE1 3.81Å; K358-E362 WeakPolarHBondContact O-CB 3.46Å; K358-E362 WeakPolarHBondContact O-CG 3.24Å; K358-E362 PolarHBondContact O-N 3.23Å; K358-I369 WeakPolarHBondContact CE-O 3.49Å; K358-I369 HydrophobicContact CG-CB 4.28Å; K358-I369 PolarHBondContact NZ-O 3.21Å; K358-I374 HydrophobicContact CB-CD1 4.28Å; K358-I374 HydrophobicContact CD-CD1 4.02Å; K358-I374 HydrophobicContact CG-CD1 4.36Å
359E92.3Very high95.8Very high86 Ų8642 Ų4240%0.40221%0.205SC..Hα-helixtrans-61-36.1-174.4-64.9-176171.200112L357 L363 K487L357-E359 PolarHBondContact O-N 3.26Å; E359-L363 WeakPolarHBondContact O-CB 3.14Å; E359-L363 VanDerWaalsContact O-CG 3.29Å; E359-L363 WeakPolarHBondContact O-CG 3.36Å; E359-L363 PolarHBondContact O-N 3.29Å; E359-K487 IonicContact OE1-NZ 3.92Å; E359-K487 PolarHBondContact OE1-NZ 2.88Å; E359-K487 IonicContact OE2-NZ 2.91Å; E359-K487 PolarHBondContact OE2-NZ 2.86Å
360R94Very high95.8Very high58 Ų5840 Ų4022%0.21920%0.196CC..Hα-helixtrans-70.5-41.7179.6-67.7-170.6167.6-158.4-2.2112.6G179 L181 D182 L357 K358 L363 H364 E484G179-R360 PolarHBondContact O-NH2 3.42Å; L181-R360 VanDerWaalsContact O-CZ 3.3Å; L181-R360 PolarHBondContact O-NH1 3.4Å; L181-R360 PolarHBondContact O-NH2 3.11Å; D182-R360 VanDerWaalsContact CA-NH1 3.29Å; D182-R360 WeakPolarHBondContact OD1-CD 3.21Å; D182-R360 IonicContact OD1-CZ 2.6Å; D182-R360 IonicContact OD1-NE 2.99Å; D182-R360 IonicContact OD1-NH1 2.7Å; D182-R360 PolarHBondContact OD1-NH1 2.82Å; L357-R360 PolarHBondContact O-N 3.49Å; K358-R360 VanDerWaalsContact C-N 3.25Å; K358-R360 PolarHBondContact O-N 3.38Å; R360-L363 PolarHBondContact O-N 2.83Å; R360-H364 VanDerWaalsContact O-CB 3.32Å; R360-H364 WeakPolarHBondContact O-CB 3.43Å; R360-H364 PolarHBondContact O-N 3.47Å; R360-E484 IonicContact NE-OE1 3.86Å; R360-E484 IonicContact NH2-OE1 3.02Å
361Y96.9Very high95.7Very high48 Ų4843.1 Ų43.119%0.18821%0.213CC..Hα-helixtrans-69.6-38.8174.9-80.5-82.6000112.3L357 K358 L363 H364 H365 I395 D399L357-Y361 HydrophobicContact CB-CD2 4.02Å; L357-Y361 HydrophobicContact CB-CE2 4.06Å; L357-Y361 HydrophobicContact CD1-CE2 4.36Å; L357-Y361 PolarHBondContact O-N 3.18Å; K358-Y361 PolarHBondContact O-N 2.87Å; Y361-L363 VanDerWaalsContact C-N 3.31Å; Y361-L363 PolarHBondContact O-N 2.74Å; Y361-H364 PolarHBondContact O-N 3.38Å; Y361-H365 PolarHBondContact O-N 2.99Å; Y361-I395 HydrophobicContact CE2-CG2 4.12Å; Y361-I395 WeakPolarHBondContact OH-CG2 3.45Å; Y361-D399 HydrophobicContact CD1-CB 4.27Å; Y361-D399 HydrophobicContact CE1-CB 3.79Å; Y361-D399 VanDerWaalsContact CE1-OD1 3.27Å; Y361-D399 WeakPolarHBondContact CE1-OD1 3.14Å
362E95.2Very high95.7Very high18 Ų1845.4 Ų45.48%0.08423%0.229CC..Hα-helixtrans-59.1-43.6172.2-76.3-168.116400111.6K358 H366 V367 Q368 I369 K480K358-E362 WeakPolarHBondContact CE-OE1 3.48Å; K358-E362 HydrophobicContact CG-CG 4.26Å; K358-E362 IonicContact NZ-OE1 3.81Å; K358-E362 WeakPolarHBondContact O-CB 3.46Å; K358-E362 WeakPolarHBondContact O-CG 3.24Å; K358-E362 PolarHBondContact O-N 3.23Å; E362-H366 WeakPolarHBondContact O-CA 3.5Å; E362-H366 PolarHBondContact O-N 3.48Å; E362-V367 WeakPolarHBondContact CA-O 3.15Å; E362-V367 VanDerWaalsContact CB-O 3.27Å; E362-V367 WeakPolarHBondContact CB-O 3.44Å; E362-V367 WeakPolarHBondContact CG-O 3.4Å; E362-V367 PolarHBondContact O-N 3.21Å; E362-V367 VanDerWaalsContact O-N 3.16Å; E362-Q368 WeakPolarHBondContact OE1-CA 3.39Å; E362-I369 HydrophobicContact CG-CB 4.13Å; E362-I369 HydrophobicContact CG-CD1 3.99Å; E362-I369 HydrophobicContact CG-CG1 3.94Å; E362-I369 PolarHBondContact OE1-N 2.98Å; E362-K480 IonicContact OE2-NZ 2.68Å; E362-K480 PolarHBondContact OE2-NZ 2.79Å
363L92.8Very high95.7Very high30 Ų3043.5 Ų43.516%0.15721%0.214CC..Hα-helixtrans-66.1-45.3175.3-81171.5000112.3E359 R360 Y361 H366 Q477 K480 A481 E484E359-L363 WeakPolarHBondContact O-CB 3.14Å; E359-L363 VanDerWaalsContact O-CG 3.29Å; E359-L363 WeakPolarHBondContact O-CG 3.36Å; E359-L363 PolarHBondContact O-N 3.29Å; R360-L363 PolarHBondContact O-N 2.83Å; Y361-L363 VanDerWaalsContact C-N 3.31Å; Y361-L363 PolarHBondContact O-N 2.74Å; L363-H366 PolarHBondContact O-ND1 3.3Å; L363-Q477 PolarHBondContact O-NE2 3.02Å; L363-K480 HydrophobicContact CD2-CB 3.4Å; L363-K480 VanDerWaalsContact CD2-CB 3.4Å; L363-K480 HydrophobicContact CD2-CD 4.5Å; L363-K480 HydrophobicContact CG-CB 4.24Å; L363-A481 HydrophobicContact CD2-CB 4.3Å; L363-E484 HydrophobicContact CD1-CB 3.65Å; L363-E484 HydrophobicContact CD1-CG 3.89Å
364H94.4Very high95.7Very high132 Ų13242.8 Ų42.861%0.61121%0.21SC*.Hα-helixtrans-61.6-49.7-178.8-177.1-93.1000111.6R360 Y361 H366R360-H364 VanDerWaalsContact O-CB 3.32Å; R360-H364 WeakPolarHBondContact O-CB 3.43Å; R360-H364 PolarHBondContact O-N 3.47Å; Y361-H364 PolarHBondContact O-N 3.38Å; H364-H366 PolarHBondContact O-CE1 3.29Å; H364-H366 PolarHBondContact O-ND1 2.97Å
365H95.8Very high95.6Very high16 Ų1645 Ų457%0.07422%0.223CC..Hα-helixtrans-91.2-6.1-176.4-68.4-66.6000114.6Y361 V367 D399 A402 R406Y361-H365 PolarHBondContact O-N 2.99Å; H365-V367 VanDerWaalsContact C-N 3.32Å; H365-V367 HydrophobicContact CB-CG1 4.3Å; H365-V367 HydrophobicContact CB-CG2 3.92Å; H365-V367 PolarHBondContact O-N 2.97Å; H365-D399 IonicContact CD2-OD1 2.8Å; H365-D399 IonicContact CE1-OD1 3.57Å; H365-D399 PolarHBondContact CE1-OD1 2.81Å; H365-D399 IonicContact NE2-OD1 2.76Å; H365-D399 PolarHBondContact NE2-OD1 3.27Å; H365-A402 HydrophobicContact CB-CB 3.78Å; H365-A402 VanDerWaalsContact CD2-CB 3.47Å; H365-A402 WeakPolarHBondContact CD2-CB 3.4Å; H365-R406 WeakPolarHBondContact O-CB 3.47Å; H365-R406 VanDerWaalsContact O-CD 3.24Å; H365-R406 WeakPolarHBondContact O-CD 3.48Å; H365-R406 WeakPolarHBondContact O-CG 3.5Å
366H92.9Very high95.5Very high81 Ų8139.8 Ų39.838%0.37521%0.206SC..THydrogen-bonded Turntrans59.743.2-178.7-52.757.8000112.2E362 L363 H364 Q477E362-H366 WeakPolarHBondContact O-CA 3.5Å; E362-H366 PolarHBondContact O-N 3.48Å; L363-H366 PolarHBondContact O-ND1 3.3Å; H364-H366 PolarHBondContact O-CE1 3.29Å; H364-H366 PolarHBondContact O-ND1 2.97Å; H366-Q477 VanDerWaalsContact CD2-CD 3.42Å; H366-Q477 WeakPolarHBondContact CD2-CG 3.33Å; H366-Q477 PolarHBondContact CD2-NE2 3.4Å; H366-Q477 VanDerWaalsContact CD2-NE2 3.3Å; H366-Q477 PolarHBondContact NE2-NE2 3.16Å
367V93.2Very high95.7Very high2 Ų238.2 Ų38.21%0.01219%0.19CC..  trans-128.8178.4-179.2-58.80000110.6E362 H365 I369 A402 I405 R406 I409 K480 N533 V535E362-V367 WeakPolarHBondContact CA-O 3.15Å; E362-V367 VanDerWaalsContact CB-O 3.27Å; E362-V367 WeakPolarHBondContact CB-O 3.44Å; E362-V367 WeakPolarHBondContact CG-O 3.4Å; E362-V367 PolarHBondContact O-N 3.21Å; E362-V367 VanDerWaalsContact O-N 3.16Å; H365-V367 VanDerWaalsContact C-N 3.32Å; H365-V367 HydrophobicContact CB-CG1 4.3Å; H365-V367 HydrophobicContact CB-CG2 3.92Å; H365-V367 PolarHBondContact O-N 2.97Å; V367-I369 HydrophobicContact CG2-CG1 4.38Å; V367-A402 HydrophobicContact CG2-CB 3.72Å; V367-I405 HydrophobicContact CB-CG2 4.34Å; V367-I405 HydrophobicContact CG1-CB 4.1Å; V367-I405 HydrophobicContact CG1-CG2 3.61Å; V367-R406 HydrophobicContact CG1-CB 4.38Å; V367-I409 HydrophobicContact CG1-CD1 4.21Å; V367-K480 PolarHBondContact O-NZ 3.42Å; V367-N533 CarbonylContact C-O 3.59Å; V367-N533 WeakPolarHBondContact CA-O 2.96Å; V367-N533 WeakPolarHBondContact CB-O 3.36Å; V367-V535 HydrophobicContact CG2-CG2 4.05Å
368Q93Very high95.7Very high19 Ų1937.7 Ų37.79%0.08919%0.187CC..EExtended strand (participates in β ladder)trans-115.4129.1170-69178.822.300109.6E362 E524 N533 K534 V535E362-Q368 WeakPolarHBondContact OE1-CA 3.39Å; Q368-E524 PolarHBondContact NE2-OE2 3.43Å; Q368-N533 PolarHBondContact N-O 2.84Å; Q368-N533 PolarHBondContact NE2-ND2 3.36Å; Q368-K534 HydrophobicContact CB-CG 4.13Å; Q368-K534 CarbonylContact O-C 3.6Å; Q368-K534 VanDerWaalsContact O-CA 3.27Å; Q368-K534 WeakPolarHBondContact O-CA 3.36Å; Q368-K534 VanDerWaalsContact OE1-CE 3.25Å; Q368-V535 PolarHBondContact O-N 2.92Å
369I97Very high95.4Very high3 Ų337.7 Ų37.72%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-103.1116.1178.5-62.1163.8000107.7K358 E362 V367 A373 I374 I398 V535K358-I369 WeakPolarHBondContact CE-O 3.49Å; K358-I369 HydrophobicContact CG-CB 4.28Å; K358-I369 PolarHBondContact NZ-O 3.21Å; E362-I369 HydrophobicContact CG-CB 4.13Å; E362-I369 HydrophobicContact CG-CD1 3.99Å; E362-I369 HydrophobicContact CG-CG1 3.94Å; E362-I369 PolarHBondContact OE1-N 2.98Å; V367-I369 HydrophobicContact CG2-CG1 4.38Å; I369-A373 HydrophobicContact CG2-CB 4.36Å; I369-I374 HydrophobicContact CG2-CD1 4.29Å; I369-I374 HydrophobicContact CG2-CG1 3.86Å; I369-I398 HydrophobicContact CD1-CG2 3.61Å; I369-I398 HydrophobicContact CG1-CG2 4.42Å; I369-I398 HydrophobicContact CG2-CD1 3.92Å; I369-I398 HydrophobicContact CG2-CG2 4.47Å; I369-V535 HydrophobicContact CG1-CB 4.29Å; I369-V535 HydrophobicContact CG1-CG2 4.29Å
370T95.9Very high95.4Very high33 Ų3334.5 Ų34.520%0.20218%0.178CC..  trans-76153.1179.666.90000111.3A373 I374 K534 V535 T536T370-A373 WeakPolarHBondContact O-CB 3.31Å; T370-A373 PolarHBondContact O-N 2.97Å; T370-A373 VanDerWaalsContact O-N 3.15Å; T370-A373 PolarHBondContact OG1-N 3.33Å; T370-I374 PolarHBondContact O-N 3.27Å; T370-K534 HydrophobicContact CG2-CB 4.27Å; T370-K534 HydrophobicContact CG2-CD 4.42Å; T370-V535 WeakPolarHBondContact CB-O 3.5Å; T370-V535 WeakPolarHBondContact CG2-O 3.46Å; T370-V535 PolarHBondContact N-O 2.95Å; T370-V535 PolarHBondContact OG1-O 3.18Å; T370-T536 HydrophobicContact CG2-CG2 4.21Å; T370-T536 WeakPolarHBondContact OG1-CA 3.25Å
371D97.2Very high95.3Very high66 Ų6631.7 Ų31.735%0.35317%0.168SC..Hα-helixtrans-62.7-39.1176.3-164.771.1000112.8R355 A373 I374 V375R355-D371 IonicContact CZ-OD1 3.25Å; R355-D371 IonicContact CZ-OD2 3.4Å; R355-D371 IonicContact NE-OD1 3.36Å; R355-D371 PolarHBondContact NE-OD1 3.32Å; R355-D371 IonicContact NH2-OD1 2.94Å; R355-D371 PolarHBondContact NH2-OD1 2.82Å; R355-D371 IonicContact NH2-OD2 3.29Å; R355-D371 PolarHBondContact NH2-OD2 2.9Å; D371-A373 VanDerWaalsContact C-N 3.26Å; D371-A373 PolarHBondContact O-N 3.08Å; D371-I374 WeakPolarHBondContact O-CB 3.34Å; D371-I374 PolarHBondContact O-N 3Å; D371-V375 WeakPolarHBondContact O-CG2 3.47Å; D371-V375 PolarHBondContact O-N 2.86Å
372P97.1Very high95Very high70 Ų7032 Ų3246%0.45517%0.171SC..Hα-helixtrans-54.5-38.2169.8-29.337.3000113.9I374 V375 A376P372-I374 PolarHBondContact O-N 2.69Å; P372-V375 PolarHBondContact O-N 3.43Å; P372-A376 VanDerWaalsContact O-CB 3.23Å; P372-A376 WeakPolarHBondContact O-CB 3.46Å; P372-A376 PolarHBondContact O-N 3.15Å
373A98.2Very high94.3Very high0 Ų034.1 Ų34.10%018%0.178CC..Hα-helixtrans-63.1-41.3175.100000112.1I369 T370 D371 A376 A377 I398 V535 I540I369-A373 HydrophobicContact CG2-CB 4.36Å; T370-A373 WeakPolarHBondContact O-CB 3.31Å; T370-A373 PolarHBondContact O-N 2.97Å; T370-A373 VanDerWaalsContact O-N 3.15Å; T370-A373 PolarHBondContact OG1-N 3.33Å; D371-A373 VanDerWaalsContact C-N 3.26Å; D371-A373 PolarHBondContact O-N 3.08Å; A373-A376 PolarHBondContact O-N 2.81Å; A373-A377 VanDerWaalsContact O-CB 3.3Å; A373-A377 WeakPolarHBondContact O-CB 3.48Å; A373-A377 PolarHBondContact O-N 2.79Å; A373-I398 HydrophobicContact CB-CD1 4.44Å; A373-V535 HydrophobicContact CB-CG1 4.06Å; A373-V535 WeakPolarHBondContact CB-O 3.38Å; A373-I540 HydrophobicContact CB-CG1 4.03Å
374I98.6Very high93.9Very high1 Ų134 Ų341%0.00518%0.176CC..Hα-helixtrans-61.4-48.3176.6-69172.2000110.8I351 L354 R355 K358 I369 T370 D371 P372 A376 A377 A378 I398I351-I374 HydrophobicContact CB-CG2 4.47Å; I351-I374 HydrophobicContact CG2-CG2 4.1Å; L354-I374 HydrophobicContact CB-CB 4.49Å; L354-I374 HydrophobicContact CB-CG1 4.4Å; L354-I374 HydrophobicContact CB-CG2 3.52Å; L354-I374 HydrophobicContact CD1-CG2 3.94Å; L354-I374 HydrophobicContact CG-CG2 4.4Å; R355-I374 HydrophobicContact CG-CD1 3.96Å; R355-I374 HydrophobicContact CG-CG2 4.3Å; K358-I374 HydrophobicContact CB-CD1 4.28Å; K358-I374 HydrophobicContact CD-CD1 4.02Å; K358-I374 HydrophobicContact CG-CD1 4.36Å; I369-I374 HydrophobicContact CG2-CD1 4.29Å; I369-I374 HydrophobicContact CG2-CG1 3.86Å; T370-I374 PolarHBondContact O-N 3.27Å; D371-I374 WeakPolarHBondContact O-CB 3.34Å; D371-I374 PolarHBondContact O-N 3Å; P372-I374 PolarHBondContact O-N 2.69Å; I374-A376 VanDerWaalsContact C-N 3.34Å; I374-A376 PolarHBondContact O-N 3.49Å; I374-A377 PolarHBondContact O-N 2.87Å; I374-A378 PolarHBondContact O-N 3.41Å; I374-A378 VanDerWaalsContact O-N 3.11Å; I374-I398 HydrophobicContact CG1-CD1 4.32Å
375V97.7Very high93.5Very high52 Ų5228.1 Ų28.132%0.31515%0.149SC..Hα-helixtrans-62.7-43.4178.9177.20000110.6I351 D371 P372 T379I351-V375 HydrophobicContact CD1-CB 4.49Å; I351-V375 HydrophobicContact CD1-CG1 4.3Å; I351-V375 HydrophobicContact CD1-CG2 4.21Å; D371-V375 WeakPolarHBondContact O-CG2 3.47Å; D371-V375 PolarHBondContact O-N 2.86Å; P372-V375 PolarHBondContact O-N 3.43Å; V375-T379 VanDerWaalsContact O-CB 3.24Å; V375-T379 WeakPolarHBondContact O-CB 3.4Å; V375-T379 PolarHBondContact O-N 3.31Å; V375-T379 PolarHBondContact O-OG1 3.4Å
376A95.5Very high92.7Very high12 Ų1229.9 Ų29.910%0.09917%0.166CC..Hα-helixtrans-63-44.6176.800000111.6P372 A373 I374 A378 T379 L380 D537 I540P372-A376 VanDerWaalsContact O-CB 3.23Å; P372-A376 WeakPolarHBondContact O-CB 3.46Å; P372-A376 PolarHBondContact O-N 3.15Å; A373-A376 PolarHBondContact O-N 2.81Å; I374-A376 VanDerWaalsContact C-N 3.34Å; I374-A376 PolarHBondContact O-N 3.49Å; A376-A378 PolarHBondContact O-N 3.42Å; A376-T379 PolarHBondContact O-N 3.3Å; A376-L380 HydrophobicContact CB-CD1 4.02Å; A376-L380 HydrophobicContact CB-CG 4.46Å; A376-L380 WeakPolarHBondContact O-CB 3.41Å; A376-L380 VanDerWaalsContact O-CG 3.23Å; A376-L380 WeakPolarHBondContact O-CG 3.16Å; A376-L380 PolarHBondContact O-N 3.36Å; A376-D537 HydrophobicContact CB-CB 3.71Å; A376-I540 HydrophobicContact CB-CB 4.38Å; A376-I540 HydrophobicContact CB-CG2 4.22Å
377A98.3Very high92.2Very high0 Ų032.5 Ų32.50%018%0.183CC..Hα-helixtrans-59.7-46.9179.400000111.4L354 A373 I374 S381 L397 I398 I540L354-A377 HydrophobicContact CD1-CB 4.2Å; A373-A377 VanDerWaalsContact O-CB 3.3Å; A373-A377 WeakPolarHBondContact O-CB 3.48Å; A373-A377 PolarHBondContact O-N 2.79Å; I374-A377 PolarHBondContact O-N 2.87Å; A377-S381 WeakPolarHBondContact O-CB 3.26Å; A377-S381 PolarHBondContact O-N 3.3Å; A377-S381 PolarHBondContact O-OG 3.05Å; A377-L397 HydrophobicContact CB-CB 4.35Å; A377-I398 HydrophobicContact CB-CD1 3.82Å; A377-I398 HydrophobicContact CB-CG1 3.66Å; A377-I540 HydrophobicContact CB-CD1 4.11Å; A377-I540 HydrophobicContact CB-CG1 4.45Å; A377-I540 HydrophobicContact CB-CG2 4.19Å
378A97Very high92.1Very high0 Ų035.5 Ų35.50%019%0.194CC..Hα-helixtrans-66.6-48176.900000112.2V347 T350 I351 L354 I374 A376 S381 H382V347-A378 HydrophobicContact CG1-CB 4.02Å; T350-A378 HydrophobicContact CG2-CB 4Å; I351-A378 HydrophobicContact CD1-CB 4.44Å; I351-A378 HydrophobicContact CG1-CB 3.69Å; L354-A378 HydrophobicContact CD1-CB 4.34Å; I374-A378 PolarHBondContact O-N 3.41Å; I374-A378 VanDerWaalsContact O-N 3.11Å; A376-A378 PolarHBondContact O-N 3.42Å; A378-S381 PolarHBondContact O-OG 3.5Å; A378-H382 WeakPolarHBondContact O-CB 3.32Å; A378-H382 PolarHBondContact O-N 2.85Å
379T91.3Very high92.1Very high64 Ų6436.3 Ų36.339%0.39320%0.198SC..Hα-helixtrans-72.6-47-172.8-52.20000112.3V375 A376 R383V375-T379 VanDerWaalsContact O-CB 3.24Å; V375-T379 WeakPolarHBondContact O-CB 3.4Å; V375-T379 PolarHBondContact O-N 3.31Å; V375-T379 PolarHBondContact O-OG1 3.4Å; A376-T379 PolarHBondContact O-N 3.3Å; T379-R383 WeakPolarHBondContact O-CB 3.34Å; T379-R383 PolarHBondContact O-N 3.5Å; T379-R383 VanDerWaalsContact O-N 3.14Å
380L90.6Very high92.1Very high19 Ų1936.1 Ų36.110%0.09920%0.197CC..Hα-helixtrans-73.1-40.8-177-57.7175.8000111.1A376 H382 R383 Y384 I540 A541 L544 M555A376-L380 HydrophobicContact CB-CD1 4.02Å; A376-L380 HydrophobicContact CB-CG 4.46Å; A376-L380 WeakPolarHBondContact O-CB 3.41Å; A376-L380 VanDerWaalsContact O-CG 3.23Å; A376-L380 WeakPolarHBondContact O-CG 3.16Å; A376-L380 PolarHBondContact O-N 3.36Å; L380-H382 VanDerWaalsContact C-N 3.34Å; L380-H382 PolarHBondContact O-N 3.16Å; L380-R383 PolarHBondContact O-N 3.47Å; L380-Y384 HydrophobicContact CB-CD2 4.15Å; L380-Y384 HydrophobicContact CB-CE2 4.44Å; L380-Y384 HydrophobicContact CD2-CD2 4.36Å; L380-Y384 HydrophobicContact CD2-CE2 3.79Å; L380-Y384 VanDerWaalsContact O-CD2 3.25Å; L380-Y384 WeakPolarHBondContact O-CD2 3.1Å; L380-Y384 PolarHBondContact O-N 3.18Å; L380-I540 HydrophobicContact CD1-CG2 4.38Å; L380-A541 HydrophobicContact CD1-CB 4.48Å; L380-L544 HydrophobicContact CB-CD2 3.5Å; L380-L544 VanDerWaalsContact CB-CD2 3.5Å; L380-M555 HydrophobicContact CD2-CB 4.49Å
381S93.6Very high92.3Very high0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-63.6-40.1175.767.60000112.1A377 A378 R383 I385 K393A377-S381 WeakPolarHBondContact O-CB 3.26Å; A377-S381 PolarHBondContact O-N 3.3Å; A377-S381 PolarHBondContact O-OG 3.05Å; A378-S381 PolarHBondContact O-OG 3.5Å; S381-R383 VanDerWaalsContact C-N 3.29Å; S381-R383 PolarHBondContact O-N 2.7Å; S381-I385 WeakPolarHBondContact O-CB 3.42Å; S381-I385 PolarHBondContact O-N 2.65Å; S381-K393 WeakPolarHBondContact O-CE 3.49Å; S381-K393 PolarHBondContact O-NZ 3.44Å
382H89Confident92.3Very high55 Ų5534.6 Ų34.626%0.25519%0.188SC..Hα-helixtrans-61.2-40.1175.4-171.963.4000111.7V347 A378 L380 L390 Y675V347-H382 HydrophobicContact CG2-CB 3.91Å; V347-H382 VanDerWaalsContact CG2-CD2 3.49Å; V347-H382 WeakPolarHBondContact CG2-CD2 3.45Å; A378-H382 WeakPolarHBondContact O-CB 3.32Å; A378-H382 PolarHBondContact O-N 2.85Å; L380-H382 VanDerWaalsContact C-N 3.34Å; L380-H382 PolarHBondContact O-N 3.16Å; H382-L390 HydrophobicContact CB-CD1 4.11Å; H382-Y675 AromaticContact CD2-CZ 3.95Å; H382-Y675 PolarHBondContact CD2-OH 3.21Å; H382-Y675 AromaticContact NE2-CZ 3.91Å; H382-Y675 PolarHBondContact NE2-OH 3.03Å; H382-Y675 WeakPolarHBondContact O-CE2 3.26Å
383R82.1Confident92.3Very high62 Ų6231.5 Ų31.523%0.23417%0.167CC..Hα-helixtrans-74.4-43.6-178.7-177.4175.8178.3175.12.6114T379 L380 S381 M626T379-R383 WeakPolarHBondContact O-CB 3.34Å; T379-R383 PolarHBondContact O-N 3.5Å; T379-R383 VanDerWaalsContact O-N 3.14Å; L380-R383 PolarHBondContact O-N 3.47Å; S381-R383 VanDerWaalsContact C-N 3.29Å; S381-R383 PolarHBondContact O-N 2.7Å; R383-M626 PolarHBondContact NH2-O 3.48Å
384Y83.4Confident92.3Very high27 Ų2731.5 Ų31.511%0.10617%0.167CC..Hα-helixtrans-107.7-13.7-166.2-61.4-68.8000114.6L380 L544 I550 M555L380-Y384 HydrophobicContact CB-CD2 4.15Å; L380-Y384 HydrophobicContact CB-CE2 4.44Å; L380-Y384 HydrophobicContact CD2-CD2 4.36Å; L380-Y384 HydrophobicContact CD2-CE2 3.79Å; L380-Y384 VanDerWaalsContact O-CD2 3.25Å; L380-Y384 WeakPolarHBondContact O-CD2 3.1Å; L380-Y384 PolarHBondContact O-N 3.18Å; Y384-L544 HydrophobicContact CD2-CD2 3.87Å; Y384-L544 HydrophobicContact CG-CD2 4.45Å; Y384-I550 HydrophobicContact CD1-CD1 3.33Å; Y384-I550 HydrophobicContact CE1-CD1 3.89Å; Y384-I550 HydrophobicContact CG-CD1 3.99Å; Y384-M555 HydrophobicContact CD2-CG 4.32Å; Y384-M555 HydrophobicContact CD2-SD 4.2Å; Y384-M555 HydrophobicContact CE2-CB 4.49Å; Y384-M555 HydrophobicContact CE2-CG 3.74Å; Y384-M555 HydrophobicContact CE2-SD 4.21Å
385I86.2Confident92.3Very high8 Ų832.7 Ų32.74%0.04117%0.173CC..  trans-115.8100.1177.2-51.2171.4000108.5S381 D387 R388 K393 L544 W547 T548S381-I385 WeakPolarHBondContact O-CB 3.42Å; S381-I385 PolarHBondContact O-N 2.65Å; I385-D387 WeakPolarHBondContact CG2-OD1 3.39Å; I385-R388 HydrophobicContact CG2-CB 3.87Å; I385-R388 HydrophobicContact CG2-CG 3.97Å; I385-K393 HydrophobicContact CB-CD 4.01Å; I385-K393 HydrophobicContact CD1-CB 4.39Å; I385-K393 HydrophobicContact CG2-CD 4.18Å; I385-K393 PolarHBondContact O-NZ 3.41Å; I385-L544 HydrophobicContact CD1-CD1 3.55Å; I385-L544 HydrophobicContact CG1-CD1 3.63Å; I385-W547 HydrophobicContact CD1-CE3 3.51Å; I385-W547 HydrophobicContact CD1-CZ3 3.58Å; I385-T548 HydrophobicContact CG1-CG2 4.36Å
386A79Confident92.3Very high53 Ų5332.7 Ų32.744%0.43817%0.172SC..  trans-93.3-22.7-174.500000114R388A386-R388 VanDerWaalsContact C-N 3.32Å
387D83.2Confident92.5Very high136 Ų13632.1 Ų32.173%0.72717%0.167SC*.SBendtrans-85.6-2.2-176.461.8-40.4000113.8I385I385-D387 WeakPolarHBondContact CG2-OD1 3.39Å
388R90.5Very high92.5Very high65 Ų6532.4 Ų32.425%0.24517%0.168CC..SBendtrans-128153.7176.8-57.9-179.362.8-179.63.3110.9I385 A386 D392 K393 D396I385-R388 HydrophobicContact CG2-CB 3.87Å; I385-R388 HydrophobicContact CG2-CG 3.97Å; A386-R388 VanDerWaalsContact C-N 3.32Å; R388-D392 IonicContact CZ-OD2 3.59Å; R388-D392 IonicContact NE-OD2 3.21Å; R388-D392 IonicContact NH2-OD2 4Å; R388-D392 PolarHBondContact NH2-OD2 3.34Å; R388-K393 HydrophobicContact CB-CB 3.95Å; R388-K393 HydrophobicContact CB-CD 4.18Å; R388-K393 WeakPolarHBondContact O-CD 3.06Å; R388-K393 WeakPolarHBondContact O-CE 3.29Å; R388-K393 PolarHBondContact O-NZ 2.87Å; R388-D396 IonicContact CZ-OD2 3.1Å; R388-D396 VanDerWaalsContact CZ-OD2 3.27Å; R388-D396 IonicContact NH1-OD2 2.71Å; R388-D396 PolarHBondContact NH1-OD2 2.81Å; R388-D396 IonicContact NH2-OD2 3.77Å; R388-D396 PolarHBondContact NH2-OD2 3.35Å
389Q93.6Very high92.6Very high36 Ų3635 Ų3517%0.16818%0.183CC..  trans-103.6153.5-178.2-68.273.529.800112.5E211 P212 V214 E344 D392 K393E211-Q389 HydrophobicContact CB-CG 3.79Å; E211-Q389 HydrophobicContact CG-CG 4.3Å; P212-Q389 PolarHBondContact O-OE1 2.97Å; P212-Q389 VanDerWaalsContact O-OE1 3.07Å; V214-Q389 HydrophobicContact CG1-CB 3.85Å; V214-Q389 HydrophobicContact CG1-CG 4.19Å; E344-Q389 HydrophobicContact CG-CB 4.11Å; E344-Q389 WeakPolarHBondContact OE1-CA 3.41Å; Q389-D392 PolarHBondContact O-N 2.92Å; Q389-K393 PolarHBondContact O-N 3.02Å
390L97.2Very high92.9Very high0 Ų034.9 Ų34.90%018%0.177CC..THydrogen-bonded Turntrans-70.3155.3165.7-61.8174.3000111.1V214 E344 P345 V347 T350 H382 D392 K393 A394V214-L390 WeakPolarHBondContact CA-O 3.2Å; E344-L390 HydrophobicContact CG-CB 3.86Å; E344-L390 WeakPolarHBondContact OE1-CG 3.1Å; E344-L390 PolarHBondContact OE1-N 3.35Å; P345-L390 WeakPolarHBondContact CD-O 3.32Å; P345-L390 HydrophobicContact CG-CB 3.92Å; V347-L390 HydrophobicContact CG2-CD1 4.24Å; T350-L390 HydrophobicContact CG2-CD2 4.14Å; H382-L390 HydrophobicContact CB-CD1 4.11Å; L390-D392 VanDerWaalsContact C-N 3.33Å; L390-K393 HydrophobicContact CD2-CD 4.23Å; L390-K393 VanDerWaalsContact CD2-CE 3.44Å; L390-K393 HydrophobicContact CD2-CG 3.82Å; L390-A394 HydrophobicContact CD2-CB 3.92Å
391P98.2Very high93.3Very high10 Ų1034 Ų347%0.06517%0.173CC..THydrogen-bonded Turncis-82.2-8.3-4.636.2-34.9000113.1G213 P345 T350 I353 K393 A394 I395G213-P391 WeakPolarHBondContact O-CD 3.41Å; P345-P391 HydrophobicContact CG-CB 4.37Å; P345-P391 HydrophobicContact CG-CG 4.44Å; T350-P391 HydrophobicContact CG2-CB 3.79Å; I353-P391 HydrophobicContact CD1-CB 4.18Å; I353-P391 HydrophobicContact CD1-CG 4.16Å; I353-P391 HydrophobicContact CG2-CB 4.2Å; I353-P391 HydrophobicContact CG2-CG 4.37Å; P391-K393 PolarHBondContact O-N 3.28Å; P391-A394 WeakPolarHBondContact O-CA 3.44Å; P391-A394 WeakPolarHBondContact O-CB 3.32Å; P391-A394 PolarHBondContact O-N 3.34Å; P391-I395 HydrophobicContact CB-CD1 3.99Å; P391-I395 HydrophobicContact CB-CG1 4.4Å; P391-I395 HydrophobicContact CG-CD1 3.99Å; P391-I395 WeakPolarHBondContact O-CG1 3.47Å; P391-I395 PolarHBondContact O-N 3.5Å
392D98Very high93.5Very high56 Ų5634 Ų3430%0.29917%0.173SC..Hα-helixtrans-49.6-55.3-172178.779.6000114G213 R388 Q389 L390 A394 I395 D396G213-D392 VanDerWaalsContact CA-CB 3.44Å; G213-D392 VanDerWaalsContact O-CB 3.26Å; G213-D392 WeakPolarHBondContact O-CB 3.02Å; R388-D392 IonicContact CZ-OD2 3.59Å; R388-D392 IonicContact NE-OD2 3.21Å; R388-D392 IonicContact NH2-OD2 4Å; R388-D392 PolarHBondContact NH2-OD2 3.34Å; Q389-D392 PolarHBondContact O-N 2.92Å; L390-D392 VanDerWaalsContact C-N 3.33Å; D392-A394 PolarHBondContact O-N 2.96Å; D392-A394 VanDerWaalsContact O-N 3.12Å; D392-I395 WeakPolarHBondContact O-CB 3.32Å; D392-I395 PolarHBondContact O-N 3Å; D392-I395 VanDerWaalsContact O-N 3.11Å; D392-D396 PolarHBondContact O-N 3.47Å
393K97.1Very high93.8Very high5 Ų534.1 Ų34.12%0.02218%0.18CC..Hα-helixtrans-59.8-28.1178.163.3179.1171.4-163.50114.5E344 S381 I385 R388 Q389 L390 P391 L397E344-K393 IonicContact OE1-NZ 2.64Å; S381-K393 WeakPolarHBondContact O-CE 3.49Å; S381-K393 PolarHBondContact O-NZ 3.44Å; I385-K393 HydrophobicContact CB-CD 4.01Å; I385-K393 HydrophobicContact CD1-CB 4.39Å; I385-K393 HydrophobicContact CG2-CD 4.18Å; I385-K393 PolarHBondContact O-NZ 3.41Å; R388-K393 HydrophobicContact CB-CB 3.95Å; R388-K393 HydrophobicContact CB-CD 4.18Å; R388-K393 WeakPolarHBondContact O-CD 3.06Å; R388-K393 WeakPolarHBondContact O-CE 3.29Å; R388-K393 PolarHBondContact O-NZ 2.87Å; Q389-K393 PolarHBondContact O-N 3.02Å; L390-K393 HydrophobicContact CD2-CD 4.23Å; L390-K393 VanDerWaalsContact CD2-CE 3.44Å; L390-K393 HydrophobicContact CD2-CG 3.82Å; P391-K393 PolarHBondContact O-N 3.28Å; K393-L397 WeakPolarHBondContact O-CG 3.39Å; K393-L397 PolarHBondContact O-N 3.44Å
394A98.5Very high94.4Very high0 Ų032.9 Ų32.90%018%0.181CC..Hα-helixtrans-82.4-35.7178.900000111.3T350 L354 L390 P391 D392 L397 I398T350-A394 HydrophobicContact CG2-CB 3.89Å; L354-A394 HydrophobicContact CD1-CB 4.01Å; L390-A394 HydrophobicContact CD2-CB 3.92Å; P391-A394 WeakPolarHBondContact O-CA 3.44Å; P391-A394 WeakPolarHBondContact O-CB 3.32Å; P391-A394 PolarHBondContact O-N 3.34Å; D392-A394 PolarHBondContact O-N 2.96Å; D392-A394 VanDerWaalsContact O-N 3.12Å; A394-L397 PolarHBondContact O-N 2.87Å; A394-I398 WeakPolarHBondContact O-CG1 3.35Å; A394-I398 PolarHBondContact O-N 3.02Å
395I98.6Very high94.8Very high26 Ų2631.6 Ų31.613%0.13318%0.176CC..Hα-helixtrans-61.4-47.5172.2-69168.5000109.7L354 L357 Y361 P391 D392 L397 I398 D399L354-I395 HydrophobicContact CD2-CB 4.36Å; L354-I395 HydrophobicContact CD2-CG1 3.6Å; L357-I395 HydrophobicContact CD1-CD1 3.78Å; L357-I395 HydrophobicContact CD1-CG1 4.11Å; Y361-I395 HydrophobicContact CE2-CG2 4.12Å; Y361-I395 WeakPolarHBondContact OH-CG2 3.45Å; P391-I395 HydrophobicContact CB-CD1 3.99Å; P391-I395 HydrophobicContact CB-CG1 4.4Å; P391-I395 HydrophobicContact CG-CD1 3.99Å; P391-I395 WeakPolarHBondContact O-CG1 3.47Å; P391-I395 PolarHBondContact O-N 3.5Å; D392-I395 WeakPolarHBondContact O-CB 3.32Å; D392-I395 PolarHBondContact O-N 3Å; D392-I395 VanDerWaalsContact O-N 3.11Å; I395-L397 VanDerWaalsContact C-N 3.32Å; I395-L397 PolarHBondContact O-N 3.32Å; I395-I398 WeakPolarHBondContact O-CB 3.36Å; I395-I398 PolarHBondContact O-N 3.01Å; I395-I398 VanDerWaalsContact O-N 3.11Å; I395-D399 WeakPolarHBondContact O-CB 3.3Å; I395-D399 PolarHBondContact O-N 3.04Å
396D98.5Very high95.2Very high53 Ų5334.9 Ų34.928%0.28319%0.187SC..Hα-helixtrans-61.1-38.2178.8-79.914.7000112.9R388 D392 I398 D399 E400 W547R388-D396 IonicContact CZ-OD2 3.1Å; R388-D396 VanDerWaalsContact CZ-OD2 3.27Å; R388-D396 IonicContact NH1-OD2 2.71Å; R388-D396 PolarHBondContact NH1-OD2 2.81Å; R388-D396 IonicContact NH2-OD2 3.77Å; R388-D396 PolarHBondContact NH2-OD2 3.35Å; D392-D396 PolarHBondContact O-N 3.47Å; D396-I398 VanDerWaalsContact C-N 3.32Å; D396-I398 PolarHBondContact O-N 3.3Å; D396-D399 PolarHBondContact O-N 3.32Å; D396-E400 WeakPolarHBondContact O-CB 3.33Å; D396-E400 PolarHBondContact O-N 2.82Å; D396-W547 HydrophobicContact CB-CH2 3.67Å; D396-W547 HydrophobicContact CB-CZ2 4.41Å
397L98.4Very high95.7Very high0 Ų038.3 Ų38.30%020%0.196CC..Hα-helixtrans-63-40.8175.5-76-180000111.7A377 K393 A394 I395 A401 I540 V543 L544 W547A377-L397 HydrophobicContact CB-CB 4.35Å; K393-L397 WeakPolarHBondContact O-CG 3.39Å; K393-L397 PolarHBondContact O-N 3.44Å; A394-L397 PolarHBondContact O-N 2.87Å; I395-L397 VanDerWaalsContact C-N 3.32Å; I395-L397 PolarHBondContact O-N 3.32Å; L397-A401 WeakPolarHBondContact O-CB 3.47Å; L397-A401 PolarHBondContact O-N 3.24Å; L397-I540 HydrophobicContact CB-CD1 4.33Å; L397-I540 HydrophobicContact CB-CG2 4.47Å; L397-I540 HydrophobicContact CD1-CG2 4.09Å; L397-V543 HydrophobicContact CD2-CB 4.11Å; L397-V543 HydrophobicContact CD2-CG1 3.55Å; L397-L544 HydrophobicContact CD1-CD1 4.34Å; L397-L544 HydrophobicContact CD2-CB 4.22Å; L397-L544 HydrophobicContact CD2-CD1 4.32Å; L397-W547 HydrophobicContact CD2-CD2 4.18Å; L397-W547 HydrophobicContact CD2-CE3 3.85Å; L397-W547 HydrophobicContact CD2-CH2 3.64Å; L397-W547 HydrophobicContact CD2-CZ2 4.02Å; L397-W547 HydrophobicContact CD2-CZ3 3.56Å; L397-W547 HydrophobicContact CG-CH2 3.98Å; L397-W547 HydrophobicContact CG-CZ3 3.9Å
398I98.7Very high95.9Very high5 Ų536 Ų363%0.02618%0.181CC..Hα-helixtrans-65.6-44176.4-69.4-76.9000110.2L354 I369 A373 I374 A377 A394 I395 D396 A402 I540L354-I398 HydrophobicContact CD1-CG1 4.42Å; L354-I398 HydrophobicContact CD2-CG1 4.19Å; I369-I398 HydrophobicContact CD1-CG2 3.61Å; I369-I398 HydrophobicContact CG1-CG2 4.42Å; I369-I398 HydrophobicContact CG2-CD1 3.92Å; I369-I398 HydrophobicContact CG2-CG2 4.47Å; A373-I398 HydrophobicContact CB-CD1 4.44Å; I374-I398 HydrophobicContact CG1-CD1 4.32Å; A377-I398 HydrophobicContact CB-CD1 3.82Å; A377-I398 HydrophobicContact CB-CG1 3.66Å; A394-I398 WeakPolarHBondContact O-CG1 3.35Å; A394-I398 PolarHBondContact O-N 3.02Å; I395-I398 WeakPolarHBondContact O-CB 3.36Å; I395-I398 PolarHBondContact O-N 3.01Å; I395-I398 VanDerWaalsContact O-N 3.11Å; D396-I398 VanDerWaalsContact C-N 3.32Å; D396-I398 PolarHBondContact O-N 3.3Å; I398-A402 WeakPolarHBondContact O-CB 3.19Å; I398-A402 PolarHBondContact O-N 3.25Å; I398-I540 HydrophobicContact CD1-CD1 3.86Å; I398-I540 HydrophobicContact CG1-CD1 4.37Å
399D98.6Very high95.8Very high56 Ų5633.3 Ų33.330%0.29917%0.171SC..Hα-helixtrans-62.3-50.2179.6-167.844.3000111.8Y361 H365 I395 D396 A402 S403Y361-D399 HydrophobicContact CD1-CB 4.27Å; Y361-D399 HydrophobicContact CE1-CB 3.79Å; Y361-D399 VanDerWaalsContact CE1-OD1 3.27Å; Y361-D399 WeakPolarHBondContact CE1-OD1 3.14Å; H365-D399 IonicContact CD2-OD1 2.8Å; H365-D399 IonicContact CE1-OD1 3.57Å; H365-D399 PolarHBondContact CE1-OD1 2.81Å; H365-D399 IonicContact NE2-OD1 2.76Å; H365-D399 PolarHBondContact NE2-OD1 3.27Å; I395-D399 WeakPolarHBondContact O-CB 3.3Å; I395-D399 PolarHBondContact O-N 3.04Å; D396-D399 PolarHBondContact O-N 3.32Å; D399-A402 PolarHBondContact O-N 2.92Å; D399-S403 WeakPolarHBondContact O-CB 3.15Å; D399-S403 PolarHBondContact O-N 3.32Å
400E98.3Very high95.4Very high60 Ų6035.4 Ų35.428%0.2818%0.183SC..Hα-helixtrans-68.3-39.2-180-168.4-178.4146.600111.8D396 S403 S404 V543 R546 W547D396-E400 WeakPolarHBondContact O-CB 3.33Å; D396-E400 PolarHBondContact O-N 2.82Å; E400-S403 PolarHBondContact O-N 3.27Å; E400-S404 WeakPolarHBondContact O-CB 3.28Å; E400-S404 PolarHBondContact O-N 3.09Å; E400-V543 HydrophobicContact CB-CG1 4.04Å; E400-V543 HydrophobicContact CB-CG2 4.43Å; E400-V543 HydrophobicContact CG-CG1 4.08Å; E400-V543 HydrophobicContact CG-CG2 4.32Å; E400-R546 IonicContact OE1-CZ 2.97Å; E400-R546 IonicContact OE1-NH1 3.57Å; E400-R546 IonicContact OE1-NH2 2.69Å; E400-R546 PolarHBondContact OE1-NH2 3.4Å; E400-W547 VanDerWaalsContact OE2-CE2 3.25Å; E400-W547 WeakPolarHBondContact OE2-CZ2 3.44Å; E400-W547 PolarHBondContact OE2-NE1 3.27Å
401A98.3Very high94.9Very high0 Ų037.5 Ų37.50%020%0.198CC..Hα-helixtrans-64.4-41.5175.600000111.5L397 S404 I405 V535 E539 I540 V543L397-A401 WeakPolarHBondContact O-CB 3.47Å; L397-A401 PolarHBondContact O-N 3.24Å; A401-S404 PolarHBondContact O-N 2.64Å; A401-I405 WeakPolarHBondContact O-CG1 3.37Å; A401-I405 PolarHBondContact O-N 3.2Å; A401-V535 HydrophobicContact CB-CG1 3.62Å; A401-E539 HydrophobicContact CB-CB 4.12Å; A401-I540 HydrophobicContact CB-CD1 3.78Å; A401-V543 HydrophobicContact CB-CG2 4Å
402A97.8Very high94.4Very high0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-63.8-43.417500000112H365 V367 I398 D399 S404 I405 R406 V535H365-A402 HydrophobicContact CB-CB 3.78Å; H365-A402 VanDerWaalsContact CD2-CB 3.47Å; H365-A402 WeakPolarHBondContact CD2-CB 3.4Å; V367-A402 HydrophobicContact CG2-CB 3.72Å; I398-A402 WeakPolarHBondContact O-CB 3.19Å; I398-A402 PolarHBondContact O-N 3.25Å; D399-A402 PolarHBondContact O-N 2.92Å; A402-S404 PolarHBondContact O-N 2.97Å; A402-I405 PolarHBondContact O-N 3.22Å; A402-R406 WeakPolarHBondContact O-CB 3.28Å; A402-R406 PolarHBondContact O-N 2.92Å; A402-V535 HydrophobicContact CB-CG2 4.1Å
403S96.4Very high94Very high58 Ų5838.3 Ų38.341%0.40620%0.2SC..Hα-helixtrans-61.6-41.8174.9-173.20000112.2D399 E400 R406 M407D399-S403 WeakPolarHBondContact O-CB 3.15Å; D399-S403 PolarHBondContact O-N 3.32Å; E400-S403 PolarHBondContact O-N 3.27Å; S403-R406 PolarHBondContact O-N 2.92Å; S403-M407 PolarHBondContact O-N 3.41Å
404S93.9Very high93.6Very high36 Ų3644 Ų4425%0.25223%0.227SC..Hα-helixtrans-60.6-48.4176.3-176.90000111.7E400 A401 A402 R406 M407 Q408E400-S404 WeakPolarHBondContact O-CB 3.28Å; E400-S404 PolarHBondContact O-N 3.09Å; A401-S404 PolarHBondContact O-N 2.64Å; A402-S404 PolarHBondContact O-N 2.97Å; S404-R406 VanDerWaalsContact C-N 3.34Å; S404-R406 PolarHBondContact O-N 3.04Å; S404-M407 PolarHBondContact O-N 2.98Å; S404-Q408 WeakPolarHBondContact O-CG 3.4Å; S404-Q408 PolarHBondContact O-N 2.74Å; S404-Q408 VanDerWaalsContact O-N 3.11Å
405I93Very high93.1Very high0 Ų049.3 Ų49.30%025%0.251CS..Hα-helixtrans-61.7-42.9175.1-69.5-54.2000111V367 A401 A402 M407 Q408 I409 R532 V535 E539V367-I405 HydrophobicContact CB-CG2 4.34Å; V367-I405 HydrophobicContact CG1-CB 4.1Å; V367-I405 HydrophobicContact CG1-CG2 3.61Å; A401-I405 WeakPolarHBondContact O-CG1 3.37Å; A401-I405 PolarHBondContact O-N 3.2Å; A402-I405 PolarHBondContact O-N 3.22Å; I405-M407 VanDerWaalsContact C-N 3.31Å; I405-M407 PolarHBondContact O-N 3.48Å; I405-Q408 WeakPolarHBondContact O-CB 3.38Å; I405-Q408 PolarHBondContact O-N 3.33Å; I405-Q408 VanDerWaalsContact O-N 3.1Å; I405-I409 HydrophobicContact CG2-CD1 4.03Å; I405-I409 HydrophobicContact CG2-CG1 4.46Å; I405-I409 WeakPolarHBondContact O-CG1 3.3Å; I405-I409 PolarHBondContact O-N 2.88Å; I405-R532 WeakPolarHBondContact CG2-O 3.38Å; I405-V535 HydrophobicContact CB-CG2 4.49Å; I405-V535 HydrophobicContact CG1-CG2 4.09Å; I405-E539 HydrophobicContact CD1-CG 3.71Å; I405-E539 HydrophobicContact CG1-CG 4.04Å
406R93Very high92.8Very high77 Ų7748.1 Ų48.129%0.29125%0.245SC..Hα-helixtrans-59-43.9177.8175.755.2-166.8-160.27.2111.9H365 V367 A402 S403 S404 Q408 I409 D410H365-R406 WeakPolarHBondContact O-CB 3.47Å; H365-R406 VanDerWaalsContact O-CD 3.24Å; H365-R406 WeakPolarHBondContact O-CD 3.48Å; H365-R406 WeakPolarHBondContact O-CG 3.5Å; V367-R406 HydrophobicContact CG1-CB 4.38Å; A402-R406 WeakPolarHBondContact O-CB 3.28Å; A402-R406 PolarHBondContact O-N 2.92Å; S403-R406 PolarHBondContact O-N 2.92Å; S404-R406 VanDerWaalsContact C-N 3.34Å; S404-R406 PolarHBondContact O-N 3.04Å; R406-Q408 VanDerWaalsContact C-N 3.29Å; R406-Q408 PolarHBondContact O-N 2.81Å; R406-I409 PolarHBondContact O-N 2.87Å; R406-D410 IonicContact CZ-OD1 3.68Å; R406-D410 IonicContact CZ-OD2 3.54Å; R406-D410 VanDerWaalsContact CZ-OD2 3.25Å; R406-D410 IonicContact NE-OD1 3.75Å; R406-D410 IonicContact NE-OD2 3.55Å; R406-D410 PolarHBondContact NE-OD2 3.04Å; R406-D410 VanDerWaalsContact NH2-CG 3.34Å; R406-D410 IonicContact NH2-OD1 2.7Å; R406-D410 PolarHBondContact NH2-OD1 3.41Å; R406-D410 IonicContact NH2-OD2 2.7Å; R406-D410 PolarHBondContact NH2-OD2 3.42Å; R406-D410 PolarHBondContact O-N 2.83Å; R406-D410 VanDerWaalsContact O-N 3.11Å
407M90Very high92.6Very high125 Ų12547.7 Ų47.762%0.61624%0.243SC*.Hα-helixtrans-61.4-37.7176.3-175.560.8-164.600112.2S403 S404 I405 D410 S411S403-M407 PolarHBondContact O-N 3.41Å; S404-M407 PolarHBondContact O-N 2.98Å; I405-M407 VanDerWaalsContact C-N 3.31Å; I405-M407 PolarHBondContact O-N 3.48Å; M407-D410 PolarHBondContact O-N 3.01Å; M407-S411 WeakPolarHBondContact O-CB 3.47Å; M407-S411 PolarHBondContact O-N 3.02Å; M407-S411 VanDerWaalsContact O-N 3.12Å; M407-S411 PolarHBondContact O-OG 3.27Å
408Q87.7Confident92.4Very high89 Ų8955.2 Ų55.242%0.41627%0.271SS..Hα-helixtrans-65.9-40.3175.2-67.4176.616.900112.3S404 I405 R406 D410 S411S404-Q408 WeakPolarHBondContact O-CG 3.4Å; S404-Q408 PolarHBondContact O-N 2.74Å; S404-Q408 VanDerWaalsContact O-N 3.11Å; I405-Q408 WeakPolarHBondContact O-CB 3.38Å; I405-Q408 PolarHBondContact O-N 3.33Å; I405-Q408 VanDerWaalsContact O-N 3.1Å; R406-Q408 VanDerWaalsContact C-N 3.29Å; R406-Q408 PolarHBondContact O-N 2.81Å; Q408-D410 VanDerWaalsContact C-N 3.34Å; Q408-D410 PolarHBondContact O-N 2.93Å; Q408-S411 PolarHBondContact O-N 3.42Å
409I87.4Confident92.2Very high7 Ų756 Ų564%0.03628%0.275CS..Hα-helixtrans-61.9-42.2177-66.9166.8000111.4V367 I405 R406 S411 K470 L473 L531 R532 N533V367-I409 HydrophobicContact CG1-CD1 4.21Å; I405-I409 HydrophobicContact CG2-CD1 4.03Å; I405-I409 HydrophobicContact CG2-CG1 4.46Å; I405-I409 WeakPolarHBondContact O-CG1 3.3Å; I405-I409 PolarHBondContact O-N 2.88Å; R406-I409 PolarHBondContact O-N 2.87Å; I409-S411 VanDerWaalsContact C-N 3.28Å; I409-S411 PolarHBondContact O-N 3.37Å; I409-K470 WeakPolarHBondContact O-CE 3.39Å; I409-K470 PolarHBondContact O-NZ 2.91Å; I409-L473 HydrophobicContact CD1-CD1 4.29Å; I409-L473 HydrophobicContact CG1-CD1 4.49Å; I409-L473 HydrophobicContact CG2-CD1 3.92Å; I409-L531 HydrophobicContact CG2-CD1 4.37Å; I409-R532 WeakPolarHBondContact CG1-O 3.43Å; I409-N533 HydrophobicContact CD1-CB 3.94Å
410D85.9Confident92.1Very high80 Ų8055.5 Ų55.543%0.42827%0.272SS..Hα-helixtrans-72.7-26-179.2-75.6-24.1000112R406 M407 Q408 K470R406-D410 IonicContact CZ-OD1 3.68Å; R406-D410 IonicContact CZ-OD2 3.54Å; R406-D410 VanDerWaalsContact CZ-OD2 3.25Å; R406-D410 IonicContact NE-OD1 3.75Å; R406-D410 IonicContact NE-OD2 3.55Å; R406-D410 PolarHBondContact NE-OD2 3.04Å; R406-D410 VanDerWaalsContact NH2-CG 3.34Å; R406-D410 IonicContact NH2-OD1 2.7Å; R406-D410 PolarHBondContact NH2-OD1 3.41Å; R406-D410 IonicContact NH2-OD2 2.7Å; R406-D410 PolarHBondContact NH2-OD2 3.42Å; R406-D410 PolarHBondContact O-N 2.83Å; R406-D410 VanDerWaalsContact O-N 3.11Å; M407-D410 PolarHBondContact O-N 3.01Å; Q408-D410 VanDerWaalsContact C-N 3.34Å; Q408-D410 PolarHBondContact O-N 2.93Å; D410-K470 PolarHBondContact O-NZ 2.74Å
411S87.8Confident92Very high45 Ų4560.5 Ų60.532%0.31529%0.289SS..SBendtrans-75.8152.5178.6-61.30000113.4M407 Q408 I409 P413 W466M407-S411 WeakPolarHBondContact O-CB 3.47Å; M407-S411 PolarHBondContact O-N 3.02Å; M407-S411 VanDerWaalsContact O-N 3.12Å; M407-S411 PolarHBondContact O-OG 3.27Å; Q408-S411 PolarHBondContact O-N 3.42Å; I409-S411 VanDerWaalsContact C-N 3.28Å; I409-S411 PolarHBondContact O-N 3.37Å; S411-P413 WeakPolarHBondContact O-CD 3.35Å; S411-W466 VanDerWaalsContact O-CZ2 3.31Å; S411-W466 WeakPolarHBondContact O-CZ2 3.49Å
412K87.6Confident91.9Very high67 Ų6764.3 Ų64.329%0.29130%0.303SS..PPolyproline II helixtrans-66.5127.5173.6-174.8-179.9-71.7-164.30109.1L416 D417 D420 Y459 W466K412-L416 HydrophobicContact CD-CB 3.93Å; K412-L416 HydrophobicContact CG-CB 3.66Å; K412-D417 HydrophobicContact CD-CB 4.14Å; K412-D417 HydrophobicContact CG-CB 4.4Å; K412-D420 IonicContact NZ-OD2 3.05Å; K412-D420 PolarHBondContact NZ-OD2 3.25Å; K412-Y459 PolarHBondContact NZ-OH 3.4Å; K412-W466 HydrophobicContact CB-CH2 4.18Å; K412-W466 HydrophobicContact CG-CH2 4.43Å; K412-W466 HydrophobicContact CG-CZ3 4.48Å
413P89Confident91.9Very high15 Ų1564.7 Ų64.710%0.09731%0.305CS..PPolyproline II helixtrans-53.6146.4174.8-27.733.3000112.2S411 E415 L416 D417 W466 L530 L531S411-P413 WeakPolarHBondContact O-CD 3.35Å; P413-E415 PolarHBondContact O-N 2.96Å; P413-L416 HydrophobicContact CG-CD1 4.21Å; P413-L416 PolarHBondContact O-N 3.22Å; P413-D417 PolarHBondContact O-N 3.19Å; P413-W466 HydrophobicContact CG-CD2 4.22Å; P413-W466 HydrophobicContact CG-CG 4.03Å; P413-L530 HydrophobicContact CG-CB 4.24Å; P413-L531 HydrophobicContact CG-CD2 4.45Å
414E87.7Confident91.9Very high126 Ų12666.1 Ų66.159%0.58931%0.308SS*.Hα-helixtrans-59.5-34.4-175.6-163-175.3172.400112.4D417 R418E414-D417 PolarHBondContact O-N 2.63Å; E414-R418 WeakPolarHBondContact O-CB 3.22Å; E414-R418 VanDerWaalsContact O-CG 3.22Å; E414-R418 WeakPolarHBondContact O-CG 3.44Å; E414-R418 PolarHBondContact O-N 3Å; E414-R418 IonicContact OE1-CZ 2.69Å; E414-R418 VanDerWaalsContact OE1-CZ 3.29Å; E414-R418 IonicContact OE1-NE 3.74Å; E414-R418 PolarHBondContact OE1-NE 2.89Å; E414-R418 IonicContact OE1-NH2 3Å; E414-R418 PolarHBondContact OE1-NH2 2.6Å; E414-R418 IonicContact OE2-NH2 2.63Å
415E89.8Confident92Very high111 Ų11169.4 Ų69.452%0.51932%0.319SS..Hα-helixtrans-63.1-44.5176.8-62.7175.3169.600111.7P413 L419 L462 L530P413-E415 PolarHBondContact O-N 2.96Å; E415-L419 WeakPolarHBondContact O-CG 3.49Å; E415-L419 PolarHBondContact O-N 3.14Å; E415-L419 VanDerWaalsContact O-N 3.13Å; E415-L462 HydrophobicContact CB-CD1 4.27Å; E415-L530 WeakPolarHBondContact OE2-CD2 3.46Å
416L91.9Very high92.2Very high0 Ų069.4 Ų69.40%032%0.319CS..Hα-helixtrans-68.8-41.4175.7-82173.9000111.9K412 P413 L419 D420 Y459 L462 E463 W466K412-L416 HydrophobicContact CD-CB 3.93Å; K412-L416 HydrophobicContact CG-CB 3.66Å; P413-L416 HydrophobicContact CG-CD1 4.21Å; P413-L416 PolarHBondContact O-N 3.22Å; L416-L419 PolarHBondContact O-N 2.94Å; L416-D420 VanDerWaalsContact O-CB 3.3Å; L416-D420 WeakPolarHBondContact O-CB 3.03Å; L416-D420 PolarHBondContact O-N 3.11Å; L416-Y459 HydrophobicContact CB-CE2 4.39Å; L416-Y459 HydrophobicContact CD2-CD2 3.66Å; L416-Y459 HydrophobicContact CD2-CE2 3.72Å; L416-Y459 HydrophobicContact CD2-CG 4.21Å; L416-L462 HydrophobicContact CD2-CB 3.58Å; L416-L462 HydrophobicContact CG-CB 4.03Å; L416-E463 HydrophobicContact CD2-CB 4.27Å; L416-W466 HydrophobicContact CD1-CB 3.85Å; L416-W466 HydrophobicContact CD1-CD2 3.92Å; L416-W466 HydrophobicContact CD1-CE3 3.67Å; L416-W466 HydrophobicContact CD1-CG 4.04Å; L416-W466 HydrophobicContact CD1-CZ3 4.46Å
417D92.9Very high92.4Very high45 Ų4569.6 Ų69.624%0.24132%0.322CS..Hα-helixtrans-64.6-39177.9-171.250.2000111.8K412 P413 E414 D420 R421K412-D417 HydrophobicContact CD-CB 4.14Å; K412-D417 HydrophobicContact CG-CB 4.4Å; P413-D417 PolarHBondContact O-N 3.19Å; E414-D417 PolarHBondContact O-N 2.63Å; D417-D420 PolarHBondContact O-N 3.46Å; D417-R421 WeakPolarHBondContact O-CB 3.45Å; D417-R421 VanDerWaalsContact O-CG 3.27Å; D417-R421 WeakPolarHBondContact O-CG 3.44Å; D417-R421 PolarHBondContact O-N 3.45Å; D417-R421 IonicContact OD1-NE 3.27Å; D417-R421 IonicContact OD1-NH2 2.97Å; D417-R421 IonicContact OD2-CZ 2.64Å; D417-R421 IonicContact OD2-NE 3.95Å; D417-R421 PolarHBondContact OD2-NE 3.39Å; D417-R421 IonicContact OD2-NH2 3.2Å; D417-R421 PolarHBondContact OD2-NH2 2.93Å
418R94.8Very high92.6Very high158 Ų15869 Ų6960%0.59632%0.32SS*.Hα-helixtrans-63.4-44.3174.1-75.2173.7-176.5-171.43.5112.2E414 R422E414-R418 WeakPolarHBondContact O-CB 3.22Å; E414-R418 VanDerWaalsContact O-CG 3.22Å; E414-R418 WeakPolarHBondContact O-CG 3.44Å; E414-R418 PolarHBondContact O-N 3Å; E414-R418 IonicContact OE1-CZ 2.69Å; E414-R418 VanDerWaalsContact OE1-CZ 3.29Å; E414-R418 IonicContact OE1-NE 3.74Å; E414-R418 PolarHBondContact OE1-NE 2.89Å; E414-R418 IonicContact OE1-NH2 3Å; E414-R418 PolarHBondContact OE1-NH2 2.6Å; E414-R418 IonicContact OE2-NH2 2.63Å; R418-R422 WeakPolarHBondContact O-CB 3.49Å; R418-R422 PolarHBondContact O-N 3.31Å; R418-R422 VanDerWaalsContact O-N 3.08Å
419L95.4Very high92.9Very high21 Ų2167.4 Ų67.411%0.1131%0.313CS..Hα-helixtrans-64.4-44.7176.3-75.3174.7000111.5E415 L416 R421 R422 I423 K455 Q458 Y459 L462E415-L419 WeakPolarHBondContact O-CG 3.49Å; E415-L419 PolarHBondContact O-N 3.14Å; E415-L419 VanDerWaalsContact O-N 3.13Å; L416-L419 PolarHBondContact O-N 2.94Å; L419-R421 PolarHBondContact O-N 2.86Å; L419-R422 PolarHBondContact O-N 2.97Å; L419-R422 VanDerWaalsContact O-N 3.16Å; L419-I423 WeakPolarHBondContact O-CB 3.32Å; L419-I423 VanDerWaalsContact O-CG1 3.26Å; L419-I423 WeakPolarHBondContact O-CG1 3.34Å; L419-I423 PolarHBondContact O-N 3.06Å; L419-K455 HydrophobicContact CD2-CD 3.59Å; L419-Q458 HydrophobicContact CD1-CB 3.97Å; L419-Q458 HydrophobicContact CD2-CB 4.31Å; L419-Y459 HydrophobicContact CB-CD2 3.98Å; L419-L462 HydrophobicContact CD1-CD1 3.7Å
420D94.9Very high93.2Very high45 Ų4569.3 Ų69.324%0.24132%0.322CS..Hα-helixtrans-59-49.6178.7-166.522.5000111.5K412 L416 D417 R422 I423 I424 Y459K412-D420 IonicContact NZ-OD2 3.05Å; K412-D420 PolarHBondContact NZ-OD2 3.25Å; L416-D420 VanDerWaalsContact O-CB 3.3Å; L416-D420 WeakPolarHBondContact O-CB 3.03Å; L416-D420 PolarHBondContact O-N 3.11Å; D417-D420 PolarHBondContact O-N 3.46Å; D420-R422 VanDerWaalsContact C-N 3.28Å; D420-R422 PolarHBondContact O-N 2.96Å; D420-I423 PolarHBondContact O-N 3.12Å; D420-I424 WeakPolarHBondContact O-CG1 3.42Å; D420-I424 PolarHBondContact O-N 2.93Å; D420-Y459 HydrophobicContact CB-CD2 4.35Å; D420-Y459 HydrophobicContact CB-CE2 3.84Å
421R96.1Very high93.6Very high166 Ų16671.3 Ų71.363%0.62633%0.328SS*.Hα-helixtrans-58.6-40.2175.4-70.9177.1-167.6-166.85.8112.1D417 L419 Q425D417-R421 WeakPolarHBondContact O-CB 3.45Å; D417-R421 VanDerWaalsContact O-CG 3.27Å; D417-R421 WeakPolarHBondContact O-CG 3.44Å; D417-R421 PolarHBondContact O-N 3.45Å; D417-R421 IonicContact OD1-NE 3.27Å; D417-R421 IonicContact OD1-NH2 2.97Å; D417-R421 IonicContact OD2-CZ 2.64Å; D417-R421 IonicContact OD2-NE 3.95Å; D417-R421 PolarHBondContact OD2-NE 3.39Å; D417-R421 IonicContact OD2-NH2 3.2Å; D417-R421 PolarHBondContact OD2-NH2 2.93Å; L419-R421 PolarHBondContact O-N 2.86Å; R421-Q425 WeakPolarHBondContact O-CB 3.48Å; R421-Q425 PolarHBondContact O-N 2.94Å
422R97Very high93.8Very high79 Ų7971.8 Ų71.830%0.29834%0.335SS..Hα-helixtrans-67.2-42.6177.2-175.358.5175.4177.40.4111.7R418 L419 D420 Q425 L426 E451 K455R418-R422 WeakPolarHBondContact O-CB 3.49Å; R418-R422 PolarHBondContact O-N 3.31Å; R418-R422 VanDerWaalsContact O-N 3.08Å; L419-R422 PolarHBondContact O-N 2.97Å; L419-R422 VanDerWaalsContact O-N 3.16Å; D420-R422 VanDerWaalsContact C-N 3.28Å; D420-R422 PolarHBondContact O-N 2.96Å; R422-Q425 WeakPolarHBondContact O-CB 3.37Å; R422-Q425 PolarHBondContact O-N 3.47Å; R422-L426 HydrophobicContact CG-CD1 4.06Å; R422-L426 HydrophobicContact CG-CG 4.48Å; R422-L426 VanDerWaalsContact O-CG 3.29Å; R422-L426 WeakPolarHBondContact O-CG 3.45Å; R422-L426 PolarHBondContact O-N 3.48Å; R422-E451 IonicContact CZ-OE1 2.92Å; R422-E451 VanDerWaalsContact CZ-OE1 3.3Å; R422-E451 IonicContact NE-OE1 2.82Å; R422-E451 PolarHBondContact NE-OE1 3.41Å; R422-E451 IonicContact NH2-OE1 3.46Å; R422-E451 PolarHBondContact NH2-OE1 3.36Å; R422-E451 IonicContact NH2-OE2 2.83Å; R422-K455 HydrophobicContact CG-CD 4.43Å; R422-K455 HydrophobicContact CG-CG 4.35Å
423I97.6Very high93.9Very high9 Ų969.9 Ų69.95%0.04633%0.328CS..Hα-helixtrans-60.6-45.8176.2-72164.3000110.4L419 D420 Q425 L426 K427 L452 K455 E456 Y459L419-I423 WeakPolarHBondContact O-CB 3.32Å; L419-I423 VanDerWaalsContact O-CG1 3.26Å; L419-I423 WeakPolarHBondContact O-CG1 3.34Å; L419-I423 PolarHBondContact O-N 3.06Å; D420-I423 PolarHBondContact O-N 3.12Å; I423-Q425 VanDerWaalsContact C-N 3.35Å; I423-Q425 PolarHBondContact O-N 3.26Å; I423-L426 PolarHBondContact O-N 3.03Å; I423-K427 HydrophobicContact CG2-CD 4.05Å; I423-K427 WeakPolarHBondContact O-CB 3.48Å; I423-K427 WeakPolarHBondContact O-CG 3.28Å; I423-K427 PolarHBondContact O-N 3.24Å; I423-L452 HydrophobicContact CB-CD1 4.38Å; I423-L452 HydrophobicContact CG1-CD1 4.46Å; I423-L452 HydrophobicContact CG2-CD1 3.92Å; I423-K455 HydrophobicContact CD1-CB 4.41Å; I423-K455 HydrophobicContact CG1-CB 3.83Å; I423-E456 HydrophobicContact CD1-CG 4.11Å; I423-E456 HydrophobicContact CG1-CG 4.23Å; I423-E456 HydrophobicContact CG2-CG 4.19Å; I423-Y459 HydrophobicContact CD1-CD2 4.24Å; I423-Y459 HydrophobicContact CD1-CG 3.94Å
424I96.4Very high94Very high88 Ų8875.4 Ų75.445%0.45135%0.354SS..Hα-helixtrans-59.8-46.3176.8-67.9166.4000110.5D420 L426 K427 L428D420-I424 WeakPolarHBondContact O-CG1 3.42Å; D420-I424 PolarHBondContact O-N 2.93Å; I424-L426 PolarHBondContact O-N 3.07Å; I424-K427 PolarHBondContact O-N 2.94Å; I424-L428 HydrophobicContact CG2-CD1 4.25Å; I424-L428 WeakPolarHBondContact O-CG 3.25Å; I424-L428 PolarHBondContact O-N 3.42Å
425Q96.6Very high94.1Very high104 Ų10477.9 Ų77.949%0.48636%0.363SS..Hα-helixtrans-59-48.2177.3-175.9-176.416.500111.8R421 R422 I423 K427 L428 E429R421-Q425 WeakPolarHBondContact O-CB 3.48Å; R421-Q425 PolarHBondContact O-N 2.94Å; R422-Q425 WeakPolarHBondContact O-CB 3.37Å; R422-Q425 PolarHBondContact O-N 3.47Å; I423-Q425 VanDerWaalsContact C-N 3.35Å; I423-Q425 PolarHBondContact O-N 3.26Å; Q425-K427 PolarHBondContact O-N 3Å; Q425-L428 PolarHBondContact O-N 2.87Å; Q425-E429 PolarHBondContact O-N 3.19Å
426L97.1Very high94.1Very high0 Ų077.8 Ų77.80%036%0.363CS..Hα-helixtrans-63.2-41.1179.3-69.4170.3000111.1R422 I423 I424 L428 E429 Q430 L448 E451 L452 K455R422-L426 HydrophobicContact CG-CD1 4.06Å; R422-L426 HydrophobicContact CG-CG 4.48Å; R422-L426 VanDerWaalsContact O-CG 3.29Å; R422-L426 WeakPolarHBondContact O-CG 3.45Å; R422-L426 PolarHBondContact O-N 3.48Å; I423-L426 PolarHBondContact O-N 3.03Å; I424-L426 PolarHBondContact O-N 3.07Å; L426-L428 PolarHBondContact O-N 3.42Å; L426-E429 PolarHBondContact O-N 2.9Å; L426-Q430 WeakPolarHBondContact O-CB 3.38Å; L426-Q430 PolarHBondContact O-N 2.85Å; L426-L448 HydrophobicContact CD2-CD1 4.31Å; L426-L448 HydrophobicContact CD2-CG 4.08Å; L426-L448 WeakPolarHBondContact O-CD2 3.28Å; L426-E451 HydrophobicContact CD1-CB 4.37Å; L426-E451 HydrophobicContact CD1-CG 3.93Å; L426-E451 HydrophobicContact CD2-CG 4.47Å; L426-L452 HydrophobicContact CB-CB 4.4Å; L426-L452 HydrophobicContact CB-CD1 3.98Å; L426-L452 HydrophobicContact CD1-CB 4.43Å; L426-L452 HydrophobicContact CD1-CD1 4.49Å; L426-K455 HydrophobicContact CD1-CG 4.21Å
427K96.4Very high93.8Very high82 Ų8282.6 Ų82.636%0.35740%0.396SS..Hα-helixtrans-62.4-38.4175.8-77.4179.2175.5170.30113.1I423 I424 Q425 Q430 Q431 L452 E456I423-K427 HydrophobicContact CG2-CD 4.05Å; I423-K427 WeakPolarHBondContact O-CB 3.48Å; I423-K427 WeakPolarHBondContact O-CG 3.28Å; I423-K427 PolarHBondContact O-N 3.24Å; I424-K427 PolarHBondContact O-N 2.94Å; Q425-K427 PolarHBondContact O-N 3Å; K427-Q430 WeakPolarHBondContact O-CB 3.16Å; K427-Q430 PolarHBondContact O-N 2.91Å; K427-Q431 WeakPolarHBondContact O-CG 3.28Å; K427-Q431 PolarHBondContact O-N 3.5Å; K427-Q431 VanDerWaalsContact O-N 3.08Å; K427-L452 HydrophobicContact CG-CD1 3.98Å; K427-L452 HydrophobicContact CG-CD2 3.95Å; K427-E456 WeakPolarHBondContact CE-OE1 3.2Å; K427-E456 IonicContact NZ-OE1 2.77Å; K427-E456 PolarHBondContact NZ-OE1 3.33Å
428L94.9Very high93.7Very high112 Ų11283.7 Ų83.759%0.58640%0.402SS*.Hα-helixtrans-66.8-44175.4-71.6171.1000111.7I424 Q425 L426 Q430 Q431 A432I424-L428 HydrophobicContact CG2-CD1 4.25Å; I424-L428 WeakPolarHBondContact O-CG 3.25Å; I424-L428 PolarHBondContact O-N 3.42Å; Q425-L428 PolarHBondContact O-N 2.87Å; L426-L428 PolarHBondContact O-N 3.42Å; L428-Q430 VanDerWaalsContact C-N 3.35Å; L428-Q431 PolarHBondContact O-N 2.91Å; L428-A432 PolarHBondContact O-N 3.4Å; L428-A432 VanDerWaalsContact O-N 3.1Å
429E94Very high93.4Very high55 Ų5582.4 Ų82.426%0.25740%0.403SS..Hα-helixtrans-65.5-38176.2-176.6-176.6171.400111.1Q425 L426 Q431 A432 L433 R444 L448Q425-E429 PolarHBondContact O-N 3.19Å; L426-E429 PolarHBondContact O-N 2.9Å; E429-Q431 PolarHBondContact O-N 3.39Å; E429-A432 PolarHBondContact O-N 3.04Å; E429-L433 HydrophobicContact CG-CD1 3.96Å; E429-L433 HydrophobicContact CG-CG 4.45Å; E429-L433 WeakPolarHBondContact O-CG 3.36Å; E429-L433 PolarHBondContact O-N 2.99Å; E429-R444 IonicContact OE1-CZ 2.63Å; E429-R444 VanDerWaalsContact OE1-CZ 3.28Å; E429-R444 IonicContact OE1-NE 3.66Å; E429-R444 PolarHBondContact OE1-NE 2.86Å; E429-R444 IonicContact OE1-NH2 3.48Å; E429-R444 PolarHBondContact OE1-NH2 3.43Å; E429-R444 IonicContact OE2-NH2 3.28Å; E429-R444 PolarHBondContact OE2-NH2 3.2Å; E429-L448 HydrophobicContact CB-CD1 3.6Å; E429-L448 VanDerWaalsContact CD-CD1 3.48Å; E429-L448 HydrophobicContact CG-CD1 3.42Å; E429-L448 VanDerWaalsContact CG-CD1 3.42Å
430Q94.4Very high93.1Very high48 Ų4884.8 Ų84.822%0.22443%0.425CS..Hα-helixtrans-54.9-52.3171.6-165-172.647.500111.3L426 K427 L428 A432 L433 M434 L445 L448 N449L426-Q430 WeakPolarHBondContact O-CB 3.38Å; L426-Q430 PolarHBondContact O-N 2.85Å; K427-Q430 WeakPolarHBondContact O-CB 3.16Å; K427-Q430 PolarHBondContact O-N 2.91Å; L428-Q430 VanDerWaalsContact C-N 3.35Å; Q430-A432 VanDerWaalsContact C-N 3.27Å; Q430-A432 PolarHBondContact O-N 3.16Å; Q430-L433 PolarHBondContact O-N 3.37Å; Q430-M434 HydrophobicContact CG-SD 4.48Å; Q430-M434 VanDerWaalsContact O-CG 3.26Å; Q430-M434 WeakPolarHBondContact O-CG 3.23Å; Q430-M434 PolarHBondContact O-N 3.48Å; Q430-L445 HydrophobicContact CB-CD1 4.44Å; Q430-L445 HydrophobicContact CG-CD1 3.67Å; Q430-L448 HydrophobicContact CB-CD2 3.51Å; Q430-L448 HydrophobicContact CG-CD2 3.88Å; Q430-N449 PolarHBondContact NE2-OD1 3.49Å
431Q93.2Very high92.8Very high121 Ų12183.4 Ų83.457%0.56542%0.419SS*.Hα-helixtrans-63.6-32.5-179.1-74.2-1793.800113K427 L428 E429K427-Q431 WeakPolarHBondContact O-CG 3.28Å; K427-Q431 PolarHBondContact O-N 3.5Å; K427-Q431 VanDerWaalsContact O-N 3.08Å; L428-Q431 PolarHBondContact O-N 2.91Å; E429-Q431 PolarHBondContact O-N 3.39Å
432A91.1Very high92.5Very high56 Ų5681.1 Ų81.146%0.46341%0.414SS..Hα-helixtrans-68.8-50.1174.300000111L428 E429 Q430 M434 K435L428-A432 PolarHBondContact O-N 3.4Å; L428-A432 VanDerWaalsContact O-N 3.1Å; E429-A432 PolarHBondContact O-N 3.04Å; Q430-A432 VanDerWaalsContact C-N 3.27Å; Q430-A432 PolarHBondContact O-N 3.16Å; A432-M434 VanDerWaalsContact C-N 3.31Å; A432-M434 PolarHBondContact O-N 2.77Å; A432-K435 PolarHBondContact O-N 2.92Å
433L91.3Very high92.2Very high26 Ų2683 Ų8314%0.13642%0.424CS..Hα-helixtrans-67.9-27.3-178.3-69170.5000113.5E429 Q430 K435 E436 R444 L445 L448E429-L433 HydrophobicContact CG-CD1 3.96Å; E429-L433 HydrophobicContact CG-CG 4.45Å; E429-L433 WeakPolarHBondContact O-CG 3.36Å; E429-L433 PolarHBondContact O-N 2.99Å; Q430-L433 PolarHBondContact O-N 3.37Å; L433-K435 PolarHBondContact O-N 3.04Å; L433-K435 VanDerWaalsContact O-N 3.15Å; L433-E436 PolarHBondContact O-N 2.83Å; L433-R444 HydrophobicContact CD1-CB 4.12Å; L433-R444 HydrophobicContact CD1-CG 3.52Å; L433-R444 HydrophobicContact CD2-CG 4.47Å; L433-L445 HydrophobicContact CB-CB 4.35Å; L433-L445 HydrophobicContact CB-CD1 4.23Å; L433-L448 HydrophobicContact CD1-CD1 4.2Å
434M90.3Very high91.9Very high131 Ų13186.6 Ų86.665%0.64544%0.437SS*.THydrogen-bonded Turntrans-61.1-19.5173.8-79-178.475.200113.7Q430 A432 L445Q430-M434 HydrophobicContact CG-SD 4.48Å; Q430-M434 VanDerWaalsContact O-CG 3.26Å; Q430-M434 WeakPolarHBondContact O-CG 3.23Å; Q430-M434 PolarHBondContact O-N 3.48Å; A432-M434 VanDerWaalsContact C-N 3.31Å; A432-M434 PolarHBondContact O-N 2.77Å; M434-L445 HydrophobicContact CG-CD1 4.27Å; M434-L445 HydrophobicContact CG-CD2 4.19Å
435K89.6Confident91.6Very high179 Ų17983.9 Ų83.978%0.77842%0.423SS*.THydrogen-bonded Turntrans-88.9-10.9176.8-62.4176.5-176.2173.70112.8A432 L433A432-K435 PolarHBondContact O-N 2.92Å; L433-K435 PolarHBondContact O-N 3.04Å; L433-K435 VanDerWaalsContact O-N 3.15Å
436E90.9Very high91.4Very high109 Ų10983.6 Ų83.651%0.50943%0.425SS..  trans-93.5146.9-177.8-61.4-61.7165.800111.1L433 S441L433-E436 PolarHBondContact O-N 2.83Å; E436-S441 WeakPolarHBondContact CB-OG 3.46Å
437S85.3Confident91.2Very high100 Ų10088.5 Ų88.570%0.69945%0.449SS*.  trans-114.1-12.2-172.467.70000114.4K442S437-K442 WeakPolarHBondContact O-CE 3.27Å
438D90.8Very high91.1Very high68 Ų6884.6 Ų84.636%0.36443%0.432SS..SBendtrans-72156.2-177.669.7-78.5000112.3A440 S441 K442D438-A440 VanDerWaalsContact C-N 3.28Å; D438-A440 PolarHBondContact O-N 3.49Å; D438-A440 WeakPolarHBondContact OD2-CB 3.48Å; D438-A440 PolarHBondContact OD2-N 3.28Å; D438-A440 VanDerWaalsContact OD2-N 3.17Å; D438-S441 VanDerWaalsContact CG-OG 3.23Å; D438-S441 PolarHBondContact O-N 3.47Å; D438-S441 WeakPolarHBondContact OD1-CB 3.46Å; D438-S441 PolarHBondContact OD1-OG 3.33Å; D438-S441 PolarHBondContact OD2-N 2.84Å; D438-S441 PolarHBondContact OD2-OG 3.1Å; D438-K442 PolarHBondContact O-N 3.21Å
439E88.6Confident91Very high132 Ų13282 Ų8262%0.61742%0.419SS*.Hα-helixtrans-65.2-31.8-174.8-161.1-167.2150.300112.6K442 K443E439-K442 PolarHBondContact O-N 3.29Å; E439-K443 PolarHBondContact O-N 2.87Å; E439-K443 VanDerWaalsContact O-N 3.1Å; E439-K443 VanDerWaalsContact OE1-CE 3.23Å; E439-K443 WeakPolarHBondContact OE1-CE 3.4Å; E439-K443 IonicContact OE1-NZ 3.3Å; E439-K443 PolarHBondContact OE1-NZ 3.39Å
440A89.4Confident91.1Very high70 Ų7086.4 Ų86.458%0.57944%0.44SS*.Hα-helixtrans-70.2-43.8179.600000110.9D438 K442 K443 R444D438-A440 VanDerWaalsContact C-N 3.28Å; D438-A440 PolarHBondContact O-N 3.49Å; D438-A440 WeakPolarHBondContact OD2-CB 3.48Å; D438-A440 PolarHBondContact OD2-N 3.28Å; D438-A440 VanDerWaalsContact OD2-N 3.17Å; A440-K442 VanDerWaalsContact C-N 3.32Å; A440-K442 PolarHBondContact O-N 3.35Å; A440-K443 PolarHBondContact O-N 2.99Å; A440-R444 WeakPolarHBondContact O-CB 3.37Å; A440-R444 PolarHBondContact O-N 2.88Å
441S87.6Confident91.2Very high17 Ų1786.7 Ų86.712%0.11944%0.441CS..Hα-helixtrans-60.4-39.4174.3-650000112.5E436 D438 R444 L445E436-S441 WeakPolarHBondContact CB-OG 3.46Å; D438-S441 VanDerWaalsContact CG-OG 3.23Å; D438-S441 PolarHBondContact O-N 3.47Å; D438-S441 WeakPolarHBondContact OD1-CB 3.46Å; D438-S441 PolarHBondContact OD1-OG 3.33Å; D438-S441 PolarHBondContact OD2-N 2.84Å; D438-S441 PolarHBondContact OD2-OG 3.1Å; S441-R444 PolarHBondContact O-N 3.41Å; S441-L445 WeakPolarHBondContact O-CB 3.19Å; S441-L445 PolarHBondContact O-N 3.1Å
442K89.6Confident91.3Very high118 Ų11881.3 Ų81.351%0.51342%0.416SS..Hα-helixtrans-64.2-47.3175.3-70.6178.1-176.5173.70112.6S437 D438 E439 A440 R444 L445 D446S437-K442 WeakPolarHBondContact O-CE 3.27Å; D438-K442 PolarHBondContact O-N 3.21Å; E439-K442 PolarHBondContact O-N 3.29Å; A440-K442 VanDerWaalsContact C-N 3.32Å; A440-K442 PolarHBondContact O-N 3.35Å; K442-R444 VanDerWaalsContact C-N 3.3Å; K442-R444 PolarHBondContact O-N 3.4Å; K442-L445 WeakPolarHBondContact O-CB 3.27Å; K442-L445 PolarHBondContact O-N 3.33Å; K442-D446 PolarHBondContact O-N 3.26Å
443K91Very high91.5Very high119 Ų11981.9 Ų81.952%0.51742%0.417SS..Hα-helixtrans-62-39175.8-73.7177.6-174.8164.10112.1E439 A440 D446 M447E439-K443 PolarHBondContact O-N 2.87Å; E439-K443 VanDerWaalsContact O-N 3.1Å; E439-K443 VanDerWaalsContact OE1-CE 3.23Å; E439-K443 WeakPolarHBondContact OE1-CE 3.4Å; E439-K443 IonicContact OE1-NZ 3.3Å; E439-K443 PolarHBondContact OE1-NZ 3.39Å; A440-K443 PolarHBondContact O-N 2.99Å; K443-D446 PolarHBondContact O-N 2.86Å; K443-M447 WeakPolarHBondContact O-CG 3.4Å; K443-M447 PolarHBondContact O-N 2.77Å; K443-M447 VanDerWaalsContact O-N 3.15Å
444R90.6Very high91.8Very high83 Ų8382.9 Ų82.931%0.31342%0.422SS..Hα-helixtrans-64.8-41.4175.2-179.561.3-178.7157.16.4111.3E429 L433 A440 S441 K442 M447 L448E429-R444 IonicContact OE1-CZ 2.63Å; E429-R444 VanDerWaalsContact OE1-CZ 3.28Å; E429-R444 IonicContact OE1-NE 3.66Å; E429-R444 PolarHBondContact OE1-NE 2.86Å; E429-R444 IonicContact OE1-NH2 3.48Å; E429-R444 PolarHBondContact OE1-NH2 3.43Å; E429-R444 IonicContact OE2-NH2 3.28Å; E429-R444 PolarHBondContact OE2-NH2 3.2Å; L433-R444 HydrophobicContact CD1-CB 4.12Å; L433-R444 HydrophobicContact CD1-CG 3.52Å; L433-R444 HydrophobicContact CD2-CG 4.47Å; A440-R444 WeakPolarHBondContact O-CB 3.37Å; A440-R444 PolarHBondContact O-N 2.88Å; S441-R444 PolarHBondContact O-N 3.41Å; K442-R444 VanDerWaalsContact C-N 3.3Å; K442-R444 PolarHBondContact O-N 3.4Å; R444-M447 PolarHBondContact O-N 3.43Å; R444-L448 WeakPolarHBondContact O-CB 3.46Å; R444-L448 PolarHBondContact O-N 3.32Å
445L91.8Very high92.1Very high31 Ų3178.9 Ų78.916%0.16240%0.401CS..Hα-helixtrans-60.9-42.7176-178.363.4000111.6Q430 L433 M434 S441 K442 L448 N449Q430-L445 HydrophobicContact CB-CD1 4.44Å; Q430-L445 HydrophobicContact CG-CD1 3.67Å; L433-L445 HydrophobicContact CB-CB 4.35Å; L433-L445 HydrophobicContact CB-CD1 4.23Å; M434-L445 HydrophobicContact CG-CD1 4.27Å; M434-L445 HydrophobicContact CG-CD2 4.19Å; S441-L445 WeakPolarHBondContact O-CB 3.19Å; S441-L445 PolarHBondContact O-N 3.1Å; K442-L445 WeakPolarHBondContact O-CB 3.27Å; K442-L445 PolarHBondContact O-N 3.33Å; L445-L448 PolarHBondContact O-N 2.91Å; L445-N449 WeakPolarHBondContact O-CB 3.45Å; L445-N449 PolarHBondContact O-N 3.48Å; L445-N449 PolarHBondContact O-ND2 3.43Å
446D92.2Very high92.5Very high98 Ų9874 Ų7452%0.52438%0.381SS..Hα-helixtrans-62.2-49.4177-68.8-24.4000111.8K442 K443 L448 N449 E450K442-D446 PolarHBondContact O-N 3.26Å; K443-D446 PolarHBondContact O-N 2.86Å; D446-L448 VanDerWaalsContact C-N 3.27Å; D446-L448 PolarHBondContact O-N 2.88Å; D446-N449 PolarHBondContact O-N 2.97Å; D446-E450 PolarHBondContact O-N 3.06Å; D446-E450 VanDerWaalsContact O-N 3.1Å
447M93Very high92.8Very high103 Ų10375.1 Ų75.151%0.50738%0.381SS..Hα-helixtrans-60.3-38.9175.3-69.5-174.2-66.900112.2K443 R444 N449 E450 E451K443-M447 WeakPolarHBondContact O-CG 3.4Å; K443-M447 PolarHBondContact O-N 2.77Å; K443-M447 VanDerWaalsContact O-N 3.15Å; R444-M447 PolarHBondContact O-N 3.43Å; M447-N449 VanDerWaalsContact C-N 3.35Å; M447-E450 PolarHBondContact O-N 3.03Å; M447-E451 PolarHBondContact O-N 2.89Å
448L93.3Very high93.3Very high0 Ų073.1 Ų73.10%036%0.361CS..Hα-helixtrans-65.8-39.1178.3-176.6150.6000111.4L426 E429 Q430 L433 R444 L445 D446 E451 L452L426-L448 HydrophobicContact CD2-CD1 4.31Å; L426-L448 HydrophobicContact CD2-CG 4.08Å; L426-L448 WeakPolarHBondContact O-CD2 3.28Å; E429-L448 HydrophobicContact CB-CD1 3.6Å; E429-L448 VanDerWaalsContact CD-CD1 3.48Å; E429-L448 HydrophobicContact CG-CD1 3.42Å; E429-L448 VanDerWaalsContact CG-CD1 3.42Å; Q430-L448 HydrophobicContact CB-CD2 3.51Å; Q430-L448 HydrophobicContact CG-CD2 3.88Å; L433-L448 HydrophobicContact CD1-CD1 4.2Å; R444-L448 WeakPolarHBondContact O-CB 3.46Å; R444-L448 PolarHBondContact O-N 3.32Å; L445-L448 PolarHBondContact O-N 2.91Å; D446-L448 VanDerWaalsContact C-N 3.27Å; D446-L448 PolarHBondContact O-N 2.88Å; L448-E451 PolarHBondContact O-N 2.85Å; L448-L452 WeakPolarHBondContact O-CB 3.27Å; L448-L452 PolarHBondContact O-N 3.33Å
449N93.9Very high93.6Very high59 Ų5971.7 Ų71.732%0.31635%0.35SS..Hα-helixtrans-65.2-39.8176.9-69.6-26000111.6Q430 L445 D446 M447 S453Q430-N449 PolarHBondContact NE2-OD1 3.49Å; L445-N449 WeakPolarHBondContact O-CB 3.45Å; L445-N449 PolarHBondContact O-N 3.48Å; L445-N449 PolarHBondContact O-ND2 3.43Å; D446-N449 PolarHBondContact O-N 2.97Å; M447-N449 VanDerWaalsContact C-N 3.35Å; N449-S453 VanDerWaalsContact O-CB 3.29Å; N449-S453 WeakPolarHBondContact O-CB 3.27Å; N449-S453 PolarHBondContact O-N 3.05Å
450E95.1Very high93.9Very high146 Ų14668.1 Ų68.168%0.68234%0.34SS*.Hα-helixtrans-63.3-46.6173.8-70.4-178.7175.800111.4D446 M447 S453 D454D446-E450 PolarHBondContact O-N 3.06Å; D446-E450 VanDerWaalsContact O-N 3.1Å; M447-E450 PolarHBondContact O-N 3.03Å; E450-S453 PolarHBondContact O-N 3.48Å; E450-D454 PolarHBondContact O-N 3.36Å
451E95.9Very high94.1Very high54 Ų5469.8 Ų69.825%0.25234%0.335SS..Hα-helixtrans-63.1-43.9177.2-167.8-176162.500111.5R422 L426 M447 L448 S453 D454 K455R422-E451 IonicContact CZ-OE1 2.92Å; R422-E451 VanDerWaalsContact CZ-OE1 3.3Å; R422-E451 IonicContact NE-OE1 2.82Å; R422-E451 PolarHBondContact NE-OE1 3.41Å; R422-E451 IonicContact NH2-OE1 3.46Å; R422-E451 PolarHBondContact NH2-OE1 3.36Å; R422-E451 IonicContact NH2-OE2 2.83Å; L426-E451 HydrophobicContact CD1-CB 4.37Å; L426-E451 HydrophobicContact CD1-CG 3.93Å; L426-E451 HydrophobicContact CD2-CG 4.47Å; M447-E451 PolarHBondContact O-N 2.89Å; L448-E451 PolarHBondContact O-N 2.85Å; E451-S453 PolarHBondContact O-N 2.92Å; E451-D454 PolarHBondContact O-N 2.91Å; E451-K455 VanDerWaalsContact O-CG 3.28Å; E451-K455 WeakPolarHBondContact O-CG 3.3Å; E451-K455 PolarHBondContact O-N 3.13Å
452L95.9Very high94.3Very high9 Ų970.7 Ų70.75%0.04734%0.339CS..Hα-helixtrans-60.9-45.8177.8179.461.9000111.1I423 L426 K427 L448 D454 K455 E456I423-L452 HydrophobicContact CB-CD1 4.38Å; I423-L452 HydrophobicContact CG1-CD1 4.46Å; I423-L452 HydrophobicContact CG2-CD1 3.92Å; L426-L452 HydrophobicContact CB-CB 4.4Å; L426-L452 HydrophobicContact CB-CD1 3.98Å; L426-L452 HydrophobicContact CD1-CB 4.43Å; L426-L452 HydrophobicContact CD1-CD1 4.49Å; K427-L452 HydrophobicContact CG-CD1 3.98Å; K427-L452 HydrophobicContact CG-CD2 3.95Å; L448-L452 WeakPolarHBondContact O-CB 3.27Å; L448-L452 PolarHBondContact O-N 3.33Å; L452-D454 PolarHBondContact O-N 3.14Å; L452-K455 PolarHBondContact O-N 3.45Å; L452-E456 HydrophobicContact CD1-CG 4.08Å; L452-E456 HydrophobicContact CG-CG 4.38Å; L452-E456 WeakPolarHBondContact O-CB 3.25Å; L452-E456 WeakPolarHBondContact O-CG 3.21Å; L452-E456 PolarHBondContact O-N 3.23Å
453S96.3Very high94.5Very high68 Ų6867.5 Ų67.548%0.47633%0.326SS..Hα-helixtrans-61.3-42.5177.6-178.40000112.2N449 E450 E451 R457N449-S453 VanDerWaalsContact O-CB 3.29Å; N449-S453 WeakPolarHBondContact O-CB 3.27Å; N449-S453 PolarHBondContact O-N 3.05Å; E450-S453 PolarHBondContact O-N 3.48Å; E451-S453 PolarHBondContact O-N 2.92Å; S453-R457 WeakPolarHBondContact O-CB 3.43Å; S453-R457 PolarHBondContact O-N 2.8Å
454D96.9Very high94.6Very high46 Ų4668.3 Ų68.325%0.24633%0.332CS..Hα-helixtrans-62.6-43.8174.8178.261.5000112.1E450 E451 L452 R457 Q458E450-D454 PolarHBondContact O-N 3.36Å; E451-D454 PolarHBondContact O-N 2.91Å; L452-D454 PolarHBondContact O-N 3.14Å; D454-R457 PolarHBondContact O-N 3.36Å; D454-R457 IonicContact OD1-CZ 2.7Å; D454-R457 IonicContact OD1-NH2 2.87Å; D454-R457 PolarHBondContact OD1-NH2 3.5Å; D454-Q458 WeakPolarHBondContact O-CG 3.43Å; D454-Q458 PolarHBondContact O-N 3.23Å; D454-Q458 PolarHBondContact OD1-NE2 2.87Å; D454-Q458 PolarHBondContact OD2-NE2 3.11Å
455K96.8Very high94.6Very high47 Ų4768.6 Ų68.620%0.20434%0.336CS..Hα-helixtrans-69.3-39.5179.2-65-66.3158.3-152.80112.7L419 R422 I423 L426 E451 L452 R457 Q458 Y459L419-K455 HydrophobicContact CD2-CD 3.59Å; R422-K455 HydrophobicContact CG-CD 4.43Å; R422-K455 HydrophobicContact CG-CG 4.35Å; I423-K455 HydrophobicContact CD1-CB 4.41Å; I423-K455 HydrophobicContact CG1-CB 3.83Å; L426-K455 HydrophobicContact CD1-CG 4.21Å; E451-K455 VanDerWaalsContact O-CG 3.28Å; E451-K455 WeakPolarHBondContact O-CG 3.3Å; E451-K455 PolarHBondContact O-N 3.13Å; L452-K455 PolarHBondContact O-N 3.45Å; K455-R457 VanDerWaalsContact C-N 3.34Å; K455-Q458 PolarHBondContact O-N 3.44Å; K455-Y459 WeakPolarHBondContact O-CB 3.09Å; K455-Y459 PolarHBondContact O-N 3.35Å
456E97.4Very high94.6Very high77 Ų7768.5 Ų68.536%0.3633%0.334SS..Hα-helixtrans-64-39.1174.8-74.9-175.5150.900111.6I423 K427 L452 Y459 S460I423-E456 HydrophobicContact CD1-CG 4.11Å; I423-E456 HydrophobicContact CG1-CG 4.23Å; I423-E456 HydrophobicContact CG2-CG 4.19Å; K427-E456 WeakPolarHBondContact CE-OE1 3.2Å; K427-E456 IonicContact NZ-OE1 2.77Å; K427-E456 PolarHBondContact NZ-OE1 3.33Å; L452-E456 HydrophobicContact CD1-CG 4.08Å; L452-E456 HydrophobicContact CG-CG 4.38Å; L452-E456 WeakPolarHBondContact O-CB 3.25Å; L452-E456 WeakPolarHBondContact O-CG 3.21Å; L452-E456 PolarHBondContact O-N 3.23Å; E456-Y459 PolarHBondContact O-N 2.63Å; E456-S460 WeakPolarHBondContact O-CB 3.23Å; E456-S460 PolarHBondContact O-N 2.88Å
457R97.5Very high94.5Very high133 Ų13369.3 Ų69.350%0.50233%0.333SS..Hα-helixtrans-62.8-50.8173.2-178.5-179.761.6-131.1-3.4111.8S453 D454 K455 Y459 S460 E461S453-R457 WeakPolarHBondContact O-CB 3.43Å; S453-R457 PolarHBondContact O-N 2.8Å; D454-R457 PolarHBondContact O-N 3.36Å; D454-R457 IonicContact OD1-CZ 2.7Å; D454-R457 IonicContact OD1-NH2 2.87Å; D454-R457 PolarHBondContact OD1-NH2 3.5Å; K455-R457 VanDerWaalsContact C-N 3.34Å; R457-Y459 VanDerWaalsContact C-N 3.27Å; R457-Y459 PolarHBondContact O-N 3.48Å; R457-S460 PolarHBondContact O-N 3.23Å; R457-E461 WeakPolarHBondContact CG-OE1 3.44Å; R457-E461 WeakPolarHBondContact O-CG 3.21Å; R457-E461 PolarHBondContact O-N 3.43Å
458Q96.2Very high94.3Very high58 Ų5867.4 Ų67.427%0.27133%0.333SS..Hα-helixtrans-57.6-41.5177.1-75.1164.821.900111.7L419 D454 K455 L462L419-Q458 HydrophobicContact CD1-CB 3.97Å; L419-Q458 HydrophobicContact CD2-CB 4.31Å; D454-Q458 WeakPolarHBondContact O-CG 3.43Å; D454-Q458 PolarHBondContact O-N 3.23Å; D454-Q458 PolarHBondContact OD1-NE2 2.87Å; D454-Q458 PolarHBondContact OD2-NE2 3.11Å; K455-Q458 PolarHBondContact O-N 3.44Å; Q458-L462 WeakPolarHBondContact O-CG 3.46Å; Q458-L462 PolarHBondContact O-N 3.39Å; Q458-L462 VanDerWaalsContact O-N 3.1Å
459Y95.5Very high94.1Very high38 Ų3868 Ų6815%0.14934%0.336CS..Hα-helixtrans-63.7-46.1177.1-179.4-87000111.3K412 L416 L419 D420 I423 K455 E456 R457 E461 L462 E463K412-Y459 PolarHBondContact NZ-OH 3.4Å; L416-Y459 HydrophobicContact CB-CE2 4.39Å; L416-Y459 HydrophobicContact CD2-CD2 3.66Å; L416-Y459 HydrophobicContact CD2-CE2 3.72Å; L416-Y459 HydrophobicContact CD2-CG 4.21Å; L419-Y459 HydrophobicContact CB-CD2 3.98Å; D420-Y459 HydrophobicContact CB-CD2 4.35Å; D420-Y459 HydrophobicContact CB-CE2 3.84Å; I423-Y459 HydrophobicContact CD1-CD2 4.24Å; I423-Y459 HydrophobicContact CD1-CG 3.94Å; K455-Y459 WeakPolarHBondContact O-CB 3.09Å; K455-Y459 PolarHBondContact O-N 3.35Å; E456-Y459 PolarHBondContact O-N 2.63Å; R457-Y459 VanDerWaalsContact C-N 3.27Å; R457-Y459 PolarHBondContact O-N 3.48Å; Y459-E461 PolarHBondContact O-N 3.34Å; Y459-L462 PolarHBondContact O-N 2.99Å; Y459-E463 HydrophobicContact CE1-CB 4.27Å; Y459-E463 HydrophobicContact CE1-CG 4.47Å; Y459-E463 WeakPolarHBondContact CE1-OE2 3.17Å; Y459-E463 WeakPolarHBondContact O-CB 3.47Å; Y459-E463 PolarHBondContact O-N 3.4Å
460S95.5Very high93.8Very high56 Ų5668.3 Ų68.339%0.39233%0.334SS..Hα-helixtrans-61.9-43179.2-168.60000112.3E456 R457 E463 E464E456-S460 WeakPolarHBondContact O-CB 3.23Å; E456-S460 PolarHBondContact O-N 2.88Å; R457-S460 PolarHBondContact O-N 3.23Å; S460-E463 PolarHBondContact O-N 3.3Å; S460-E464 WeakPolarHBondContact O-CG 3.42Å; S460-E464 PolarHBondContact O-N 2.95Å
461E93.8Very high93.5Very high105 Ų10564.3 Ų64.349%0.49133%0.327SS..Hα-helixtrans-61.4-50.5177.5-72.2171.3-172.500111.1R457 Y459 E463 E464 E465R457-E461 WeakPolarHBondContact CG-OE1 3.44Å; R457-E461 WeakPolarHBondContact O-CG 3.21Å; R457-E461 PolarHBondContact O-N 3.43Å; Y459-E461 PolarHBondContact O-N 3.34Å; E461-E463 VanDerWaalsContact C-N 3.31Å; E461-E463 PolarHBondContact O-N 2.88Å; E461-E464 PolarHBondContact O-N 3.3Å; E461-E465 PolarHBondContact O-N 3.48Å; E461-E465 VanDerWaalsContact O-N 3.07Å
462L92.7Very high93.1Very high37 Ų3763.2 Ų63.219%0.19433%0.325CS..Hα-helixtrans-66.9-31.3178-71.5179.8000112.9E415 L416 L419 Q458 Y459 E465 W466 L530E415-L462 HydrophobicContact CB-CD1 4.27Å; L416-L462 HydrophobicContact CD2-CB 3.58Å; L416-L462 HydrophobicContact CG-CB 4.03Å; L419-L462 HydrophobicContact CD1-CD1 3.7Å; Q458-L462 WeakPolarHBondContact O-CG 3.46Å; Q458-L462 PolarHBondContact O-N 3.39Å; Q458-L462 VanDerWaalsContact O-N 3.1Å; Y459-L462 PolarHBondContact O-N 2.99Å; L462-E465 PolarHBondContact O-N 2.97Å; L462-W466 WeakPolarHBondContact O-CB 3.29Å; L462-W466 PolarHBondContact O-N 3.11Å; L462-L530 HydrophobicContact CD2-CD1 4.48Å; L462-L530 HydrophobicContact CD2-CD2 4.18Å; L462-L530 WeakPolarHBondContact O-CD1 3.21Å
463E93.9Very high92.7Very high50 Ų5063.8 Ų63.823%0.23433%0.328CS..Hα-helixtrans-69.8-39177.1-170.5-173.9-177.900111.2L416 Y459 S460 E461 W466 K467L416-E463 HydrophobicContact CD2-CB 4.27Å; Y459-E463 HydrophobicContact CE1-CB 4.27Å; Y459-E463 HydrophobicContact CE1-CG 4.47Å; Y459-E463 WeakPolarHBondContact CE1-OE2 3.17Å; Y459-E463 WeakPolarHBondContact O-CB 3.47Å; Y459-E463 PolarHBondContact O-N 3.4Å; S460-E463 PolarHBondContact O-N 3.3Å; E461-E463 VanDerWaalsContact C-N 3.31Å; E461-E463 PolarHBondContact O-N 2.88Å; E463-W466 PolarHBondContact O-N 2.81Å; E463-K467 HydrophobicContact CG-CD 4.37Å; E463-K467 WeakPolarHBondContact O-CB 3.47Å; E463-K467 VanDerWaalsContact O-CG 3.31Å; E463-K467 WeakPolarHBondContact O-CG 3.27Å; E463-K467 PolarHBondContact O-N 3.49Å; E463-K467 VanDerWaalsContact OE1-CE 3.23Å; E463-K467 WeakPolarHBondContact OE1-CE 3.24Å; E463-K467 IonicContact OE1-NZ 3.68Å; E463-K467 PolarHBondContact OE1-NZ 3.25Å; E463-K467 IonicContact OE2-NZ 3.82Å
464E92.9Very high92.3Very high137 Ų13764 Ų6464%0.6433%0.33SS*.Hα-helixtrans-63.2-44.8172.3-76-173.9174.500111.6S460 E461 K467 A468S460-E464 WeakPolarHBondContact O-CG 3.42Å; S460-E464 PolarHBondContact O-N 2.95Å; E461-E464 PolarHBondContact O-N 3.3Å; E464-K467 PolarHBondContact O-N 2.92Å; E464-A468 WeakPolarHBondContact O-CB 3.36Å; E464-A468 PolarHBondContact O-N 2.84Å
465E90.3Very high91.8Very high88 Ų8863.3 Ų63.341%0.41133%0.333SS..Hα-helixtrans-58-49.7173.5-71.9-173.4174.300111E461 L462 K467 A468 E469 L530E461-E465 PolarHBondContact O-N 3.48Å; E461-E465 VanDerWaalsContact O-N 3.07Å; L462-E465 PolarHBondContact O-N 2.97Å; E465-K467 VanDerWaalsContact C-N 3.33Å; E465-K467 PolarHBondContact O-N 2.75Å; E465-A468 WeakPolarHBondContact O-CB 3.26Å; E465-A468 PolarHBondContact O-N 3.34Å; E465-A468 VanDerWaalsContact O-N 3.1Å; E465-E469 WeakPolarHBondContact O-CG 3.24Å; E465-E469 PolarHBondContact O-N 2.92Å; E465-L530 HydrophobicContact CB-CD1 3.86Å
466W91.5Very high91.4Very high30 Ų3061.3 Ų61.311%0.11433%0.325CS..Hα-helixtrans-59.9-40.7179.7-177.544000112.9S411 K412 P413 L416 L462 E463 E469 K470 L530S411-W466 VanDerWaalsContact O-CZ2 3.31Å; S411-W466 WeakPolarHBondContact O-CZ2 3.49Å; K412-W466 HydrophobicContact CB-CH2 4.18Å; K412-W466 HydrophobicContact CG-CH2 4.43Å; K412-W466 HydrophobicContact CG-CZ3 4.48Å; P413-W466 HydrophobicContact CG-CD2 4.22Å; P413-W466 HydrophobicContact CG-CG 4.03Å; L416-W466 HydrophobicContact CD1-CB 3.85Å; L416-W466 HydrophobicContact CD1-CD2 3.92Å; L416-W466 HydrophobicContact CD1-CE3 3.67Å; L416-W466 HydrophobicContact CD1-CG 4.04Å; L416-W466 HydrophobicContact CD1-CZ3 4.46Å; L462-W466 WeakPolarHBondContact O-CB 3.29Å; L462-W466 PolarHBondContact O-N 3.11Å; E463-W466 PolarHBondContact O-N 2.81Å; W466-E469 PolarHBondContact O-N 3.35Å; W466-K470 VanDerWaalsContact CE2-CE 3.47Å; W466-K470 HydrophobicContact CZ2-CD 4.33Å; W466-K470 VanDerWaalsContact CZ2-CE 3.45Å; W466-K470 PolarHBondContact O-N 3.29Å; W466-L530 HydrophobicContact CB-CD1 3.82Å
467K90.4Very high91Very high115 Ų11558.9 Ų58.950%0.531%0.314SS..Hα-helixtrans-64.7-41.5175-76.2170.7-176160.70111.6E463 E464 E465 K470 A471E463-K467 HydrophobicContact CG-CD 4.37Å; E463-K467 WeakPolarHBondContact O-CB 3.47Å; E463-K467 VanDerWaalsContact O-CG 3.31Å; E463-K467 WeakPolarHBondContact O-CG 3.27Å; E463-K467 PolarHBondContact O-N 3.49Å; E463-K467 VanDerWaalsContact OE1-CE 3.23Å; E463-K467 WeakPolarHBondContact OE1-CE 3.24Å; E463-K467 IonicContact OE1-NZ 3.68Å; E463-K467 PolarHBondContact OE1-NZ 3.25Å; E463-K467 IonicContact OE2-NZ 3.82Å; E464-K467 PolarHBondContact O-N 2.92Å; E465-K467 VanDerWaalsContact C-N 3.33Å; E465-K467 PolarHBondContact O-N 2.75Å; K467-K470 PolarHBondContact O-N 3.04Å; K467-A471 WeakPolarHBondContact O-CB 3.25Å; K467-A471 PolarHBondContact O-N 3.29Å
468A89Confident90.8Very high63 Ų6356.1 Ų56.152%0.52131%0.312SS..Hα-helixtrans-64.2-42176.200000111.6E464 E465 A471 S472E464-A468 WeakPolarHBondContact O-CB 3.36Å; E464-A468 PolarHBondContact O-N 2.84Å; E465-A468 WeakPolarHBondContact O-CB 3.26Å; E465-A468 PolarHBondContact O-N 3.34Å; E465-A468 VanDerWaalsContact O-N 3.1Å; A468-A471 PolarHBondContact O-N 2.78Å; A468-S472 PolarHBondContact O-N 2.87Å
469E89.4Confident90.7Very high13 Ų1354.7 Ų54.76%0.06131%0.305CS..Hα-helixtrans-62.2-46.6175.4-70.9-164.6-174.200112.1E465 W466 A471 S472 L473 M528 R529 L530 L531E465-E469 WeakPolarHBondContact O-CG 3.24Å; E465-E469 PolarHBondContact O-N 2.92Å; W466-E469 PolarHBondContact O-N 3.35Å; E469-A471 VanDerWaalsContact C-N 3.34Å; E469-A471 PolarHBondContact O-N 3.4Å; E469-S472 WeakPolarHBondContact O-CB 3.43Å; E469-S472 PolarHBondContact O-N 3.41Å; E469-L473 WeakPolarHBondContact O-CG 3.37Å; E469-L473 PolarHBondContact O-N 3.44Å; E469-M528 HydrophobicContact CB-CE 3.75Å; E469-M528 HydrophobicContact CB-SD 3.41Å; E469-M528 WeakPolarHBondContact CB-SD 3.3Å; E469-M528 HydrophobicContact CG-CE 4.23Å; E469-M528 HydrophobicContact CG-SD 3.38Å; E469-M528 WeakPolarHBondContact CG-SD 3.49Å; E469-M528 WeakPolarHBondContact OE1-CA 3.32Å; E469-R529 PolarHBondContact OE1-N 3.4Å; E469-L530 PolarHBondContact OE1-N 3.4Å; E469-L530 WeakPolarHBondContact OE2-CB 3.5Å; E469-L530 PolarHBondContact OE2-N 3.02Å; E469-L531 HydrophobicContact CB-CD1 3.86Å; E469-L531 HydrophobicContact CB-CG 4.35Å; E469-L531 WeakPolarHBondContact OE2-CB 3.38Å; E469-L531 WeakPolarHBondContact OE2-CG 3.01Å; E469-L531 PolarHBondContact OE2-N 3.46Å
470K87.6Confident90.5Very high64 Ų6453.8 Ų53.828%0.27830%0.302SS..Hα-helixtrans-60.2-42.2174.3-77.9-169.1164.8179.90112.4I409 D410 W466 K467 S472 L473 S474 L531I409-K470 WeakPolarHBondContact O-CE 3.39Å; I409-K470 PolarHBondContact O-NZ 2.91Å; D410-K470 PolarHBondContact O-NZ 2.74Å; W466-K470 VanDerWaalsContact CE2-CE 3.47Å; W466-K470 HydrophobicContact CZ2-CD 4.33Å; W466-K470 VanDerWaalsContact CZ2-CE 3.45Å; W466-K470 PolarHBondContact O-N 3.29Å; K467-K470 PolarHBondContact O-N 3.04Å; K470-S472 VanDerWaalsContact C-N 3.33Å; K470-L473 PolarHBondContact O-N 3.21Å; K470-S474 PolarHBondContact O-N 3.06Å; K470-L531 HydrophobicContact CG-CD1 3.71Å
471A88Confident90.4Very high63 Ų6353.1 Ų53.152%0.52130%0.3SS..Hα-helixtrans-63.6-39.7177.500000111.7K467 A468 E469 S474 G475K467-A471 WeakPolarHBondContact O-CB 3.25Å; K467-A471 PolarHBondContact O-N 3.29Å; A468-A471 PolarHBondContact O-N 2.78Å; E469-A471 VanDerWaalsContact C-N 3.34Å; E469-A471 PolarHBondContact O-N 3.4Å; A471-S474 PolarHBondContact O-N 3.45Å; A471-G475 PolarHBondContact O-N 2.95Å
472S87.6Confident90.5Very high31 Ų3152.6 Ų52.622%0.21730%0.298CS..Hα-helixtrans-60-49.2174.7-171.40000111.6A468 E469 K470 S474 G475 T476A468-S472 PolarHBondContact O-N 2.87Å; E469-S472 WeakPolarHBondContact O-CB 3.43Å; E469-S472 PolarHBondContact O-N 3.41Å; K470-S472 VanDerWaalsContact C-N 3.33Å; S472-S474 VanDerWaalsContact C-N 3.31Å; S472-S474 PolarHBondContact O-N 3.05Å; S472-G475 PolarHBondContact O-N 2.89Å; S472-G475 VanDerWaalsContact O-N 3.08Å; S472-T476 PolarHBondContact O-N 2.66Å; S472-T476 PolarHBondContact O-OG1 2.82Å
473L86.9Confident90.5Very high20 Ų2051.3 Ų51.311%0.10529%0.291CS..Hα-helixtrans-59.4-42.7178.2-69.4176.2000112.1I409 E469 K470 G475 T476 Q477 M528 L531 N533I409-L473 HydrophobicContact CD1-CD1 4.29Å; I409-L473 HydrophobicContact CG1-CD1 4.49Å; I409-L473 HydrophobicContact CG2-CD1 3.92Å; E469-L473 WeakPolarHBondContact O-CG 3.37Å; E469-L473 PolarHBondContact O-N 3.44Å; K470-L473 PolarHBondContact O-N 3.21Å; L473-G475 VanDerWaalsContact C-N 3.3Å; L473-G475 PolarHBondContact O-N 3.27Å; L473-T476 PolarHBondContact O-N 3.49Å; L473-Q477 WeakPolarHBondContact O-CB 3.29Å; L473-Q477 PolarHBondContact O-N 3.35Å; L473-M528 HydrophobicContact CD1-CE 3.74Å; L473-M528 HydrophobicContact CD2-CE 3.8Å; L473-M528 HydrophobicContact CG-CE 3.59Å; L473-L531 HydrophobicContact CD1-CD1 3.87Å; L473-N533 HydrophobicContact CD1-CB 4.32Å; L473-N533 HydrophobicContact CD2-CB 3.64Å; L473-N533 WeakPolarHBondContact CD2-ND2 3.27Å
474S87.7Confident90.4Very high74 Ų7450.3 Ų50.352%0.51729%0.286SS..Hα-helixtrans-62.8-38.3176.2-170.10000111.8K470 A471 S472 Q477 T478K470-S474 PolarHBondContact O-N 3.06Å; A471-S474 PolarHBondContact O-N 3.45Å; S472-S474 VanDerWaalsContact C-N 3.31Å; S472-S474 PolarHBondContact O-N 3.05Å; S474-Q477 PolarHBondContact O-N 2.96Å; S474-T478 WeakPolarHBondContact O-CG2 3.47Å; S474-T478 PolarHBondContact O-N 3.3Å; S474-T478 PolarHBondContact O-OG1 3.47Å
475G88.1Confident90.4Very high30 Ų3049.8 Ų49.831%0.30928%0.284SS..Hα-helixtrans-62.4-49.7175.500000112.1A471 S472 L473 Q477 T478 I479A471-G475 PolarHBondContact O-N 2.95Å; S472-G475 PolarHBondContact O-N 2.89Å; S472-G475 VanDerWaalsContact O-N 3.08Å; L473-G475 VanDerWaalsContact C-N 3.3Å; L473-G475 PolarHBondContact O-N 3.27Å; G475-Q477 VanDerWaalsContact C-N 3.26Å; G475-Q477 PolarHBondContact O-N 3.15Å; G475-T478 PolarHBondContact O-N 3.04Å; G475-T478 VanDerWaalsContact O-N 3.14Å; G475-T478 PolarHBondContact O-OG1 2.91Å; G475-I479 WeakPolarHBondContact O-CG1 3.49Å; G475-I479 PolarHBondContact O-N 2.81Å
476T88.5Confident90.6Very high6 Ų645.9 Ų45.94%0.03727%0.267CS..Hα-helixtrans-58.1-41175.7-61.40000111.7S472 L473 T478 I479 K480 L517 E524S472-T476 PolarHBondContact O-N 2.66Å; S472-T476 PolarHBondContact O-OG1 2.82Å; L473-T476 PolarHBondContact O-N 3.49Å; T476-T478 PolarHBondContact O-N 2.83Å; T476-I479 PolarHBondContact O-N 2.81Å; T476-K480 WeakPolarHBondContact O-CG 3.4Å; T476-K480 PolarHBondContact O-N 2.84Å; T476-L517 HydrophobicContact CG2-CD1 3.72Å; T476-E524 WeakPolarHBondContact CB-OE1 3.23Å; T476-E524 PolarHBondContact OG1-OE1 3.4Å
477Q88.8Confident90.6Very high26 Ų2647.1 Ų47.112%0.12127%0.273CS..Hα-helixtrans-61.8-44176.6-176.871.7-4.800112.7L363 H366 L473 S474 G475 I479 K480 A481L363-Q477 PolarHBondContact O-NE2 3.02Å; H366-Q477 VanDerWaalsContact CD2-CD 3.42Å; H366-Q477 WeakPolarHBondContact CD2-CG 3.33Å; H366-Q477 PolarHBondContact CD2-NE2 3.4Å; H366-Q477 VanDerWaalsContact CD2-NE2 3.3Å; H366-Q477 PolarHBondContact NE2-NE2 3.16Å; L473-Q477 WeakPolarHBondContact O-CB 3.29Å; L473-Q477 PolarHBondContact O-N 3.35Å; S474-Q477 PolarHBondContact O-N 2.96Å; G475-Q477 VanDerWaalsContact C-N 3.26Å; G475-Q477 PolarHBondContact O-N 3.15Å; Q477-I479 VanDerWaalsContact C-N 3.26Å; Q477-I479 PolarHBondContact O-N 3.25Å; Q477-K480 PolarHBondContact O-N 2.96Å; Q477-A481 PolarHBondContact O-N 3.33Å
478T92.6Very high90.6Very high75 Ų7542.9 Ų42.946%0.4626%0.256SS..Hα-helixtrans-59.7-40.1177.752.30000111.7S474 G475 T476 A481 E482S474-T478 WeakPolarHBondContact O-CG2 3.47Å; S474-T478 PolarHBondContact O-N 3.3Å; S474-T478 PolarHBondContact O-OG1 3.47Å; G475-T478 PolarHBondContact O-N 3.04Å; G475-T478 VanDerWaalsContact O-N 3.14Å; G475-T478 PolarHBondContact O-OG1 2.91Å; T476-T478 PolarHBondContact O-N 2.83Å; T478-A481 PolarHBondContact O-N 2.82Å; T478-E482 WeakPolarHBondContact O-CG 3.34Å; T478-E482 PolarHBondContact O-N 3.45Å
479I93.6Very high90.7Very high27 Ų2741.2 Ų41.214%0.13824%0.241CC..Hα-helixtrans-63.9-44.8176.2-60.2164.1000110.8G475 T476 Q477 A481 E482 L483 L513 Q516 L517 A520G475-I479 WeakPolarHBondContact O-CG1 3.49Å; G475-I479 PolarHBondContact O-N 2.81Å; T476-I479 PolarHBondContact O-N 2.81Å; Q477-I479 VanDerWaalsContact C-N 3.26Å; Q477-I479 PolarHBondContact O-N 3.25Å; I479-A481 VanDerWaalsContact C-N 3.32Å; I479-A481 PolarHBondContact O-N 2.88Å; I479-E482 PolarHBondContact O-N 2.82Å; I479-L483 WeakPolarHBondContact O-CB 3.34Å; I479-L483 PolarHBondContact O-N 3.45Å; I479-L513 HydrophobicContact CG2-CD2 4.16Å; I479-Q516 HydrophobicContact CD1-CB 4.24Å; I479-Q516 HydrophobicContact CG2-CB 4.24Å; I479-L517 HydrophobicContact CG2-CB 3.82Å; I479-L517 HydrophobicContact CG2-CD1 4.47Å; I479-A520 HydrophobicContact CD1-CB 4.18Å
480K91.7Very high90.9Very high19 Ų1941.8 Ų41.88%0.08325%0.245CC..Hα-helixtrans-60.2-42.6176.2-68.5-172.1-178.4-170.60111.8E362 L363 V367 T476 Q477 L483 E484 L517E362-K480 IonicContact OE2-NZ 2.68Å; E362-K480 PolarHBondContact OE2-NZ 2.79Å; L363-K480 HydrophobicContact CD2-CB 3.4Å; L363-K480 VanDerWaalsContact CD2-CB 3.4Å; L363-K480 HydrophobicContact CD2-CD 4.5Å; L363-K480 HydrophobicContact CG-CB 4.24Å; V367-K480 PolarHBondContact O-NZ 3.42Å; T476-K480 WeakPolarHBondContact O-CG 3.4Å; T476-K480 PolarHBondContact O-N 2.84Å; Q477-K480 PolarHBondContact O-N 2.96Å; K480-L483 PolarHBondContact O-N 3.28Å; K480-E484 PolarHBondContact O-N 2.72Å; K480-L517 HydrophobicContact CD-CD1 4.39Å; K480-L517 HydrophobicContact CG-CD1 3.52Å; K480-L517 HydrophobicContact CG-CD2 3.98Å; K480-L517 HydrophobicContact CG-CG 4.42Å
481A93.1Very high90.8Very high42 Ų4242.3 Ų42.335%0.34725%0.248SC..Hα-helixtrans-65.8-41.818000000111.4L363 Q477 T478 I479 L483 E484 Q485L363-A481 HydrophobicContact CD2-CB 4.3Å; Q477-A481 PolarHBondContact O-N 3.33Å; T478-A481 PolarHBondContact O-N 2.82Å; I479-A481 VanDerWaalsContact C-N 3.32Å; I479-A481 PolarHBondContact O-N 2.88Å; A481-L483 VanDerWaalsContact C-N 3.33Å; A481-E484 PolarHBondContact O-N 2.9Å; A481-Q485 WeakPolarHBondContact O-CG 3.38Å; A481-Q485 PolarHBondContact O-N 3.47Å
482E95.4Very high90.8Very high95 Ų9543.2 Ų43.244%0.44424%0.242SC..Hα-helixtrans-63-39.3173.1-74.3-170.5-15500112.3T478 I479 Q485 A486 K509 L513T478-E482 WeakPolarHBondContact O-CG 3.34Å; T478-E482 PolarHBondContact O-N 3.45Å; I479-E482 PolarHBondContact O-N 2.82Å; E482-Q485 PolarHBondContact O-N 3.09Å; E482-A486 WeakPolarHBondContact O-CB 3.37Å; E482-A486 PolarHBondContact O-N 3.03Å; E482-K509 IonicContact OE2-NZ 3.8Å; E482-L513 HydrophobicContact CB-CD1 4.08Å; E482-L513 HydrophobicContact CB-CD2 4.01Å
483L94.2Very high90.8Very high10 Ų1042.2 Ų42.25%0.05224%0.235CC..Hα-helixtrans-64-46.2177.3-179.161.8000111.4I479 K480 A481 Q485 A486 K487 I510 L513 E514 L517I479-L483 WeakPolarHBondContact O-CB 3.34Å; I479-L483 PolarHBondContact O-N 3.45Å; K480-L483 PolarHBondContact O-N 3.28Å; A481-L483 VanDerWaalsContact C-N 3.33Å; L483-Q485 PolarHBondContact O-N 3.24Å; L483-A486 WeakPolarHBondContact O-CB 3.39Å; L483-A486 PolarHBondContact O-N 2.76Å; L483-K487 WeakPolarHBondContact O-CG 3.38Å; L483-K487 PolarHBondContact O-N 2.83Å; L483-I510 HydrophobicContact CD1-CB 4.45Å; L483-I510 HydrophobicContact CD1-CG1 4.48Å; L483-I510 HydrophobicContact CD1-CG2 3.94Å; L483-L513 HydrophobicContact CB-CB 4.32Å; L483-L513 HydrophobicContact CB-CD1 4.46Å; L483-L513 HydrophobicContact CD1-CB 4.01Å; L483-E514 HydrophobicContact CD1-CG 3.95Å; L483-E514 HydrophobicContact CD2-CG 4.11Å; L483-L517 HydrophobicContact CD2-CD2 3.93Å
484E92Very high90.7Very high28 Ų2849.1 Ų49.113%0.13126%0.26CS..Hα-helixtrans-62.2-43.1176.5179.264.8-179.900111.5R360 L363 K480 A481 A486 K487 I488R360-E484 IonicContact NE-OE1 3.86Å; R360-E484 IonicContact NH2-OE1 3.02Å; L363-E484 HydrophobicContact CD1-CB 3.65Å; L363-E484 HydrophobicContact CD1-CG 3.89Å; K480-E484 PolarHBondContact O-N 2.72Å; A481-E484 PolarHBondContact O-N 2.9Å; E484-A486 VanDerWaalsContact C-N 3.31Å; E484-A486 PolarHBondContact O-N 3.32Å; E484-K487 PolarHBondContact O-N 3.26Å; E484-I488 HydrophobicContact CG-CD1 4.14Å; E484-I488 WeakPolarHBondContact O-CG1 3.31Å; E484-I488 PolarHBondContact O-N 3.25Å
485Q92.7Very high90.3Very high126 Ų12649.6 Ų49.659%0.58925%0.25SS*.Hα-helixtrans-62.6-38.4174.8-69.8-58.8-44.500112.2A481 E482 L483 I488 A489A481-Q485 WeakPolarHBondContact O-CG 3.38Å; A481-Q485 PolarHBondContact O-N 3.47Å; E482-Q485 PolarHBondContact O-N 3.09Å; L483-Q485 PolarHBondContact O-N 3.24Å; Q485-I488 PolarHBondContact O-N 3.02Å; Q485-A489 VanDerWaalsContact O-CB 3.28Å; Q485-A489 WeakPolarHBondContact O-CB 3.43Å; Q485-A489 PolarHBondContact O-N 3.01Å
486A94.6Very high90.1Very high7 Ų754.3 Ų54.36%0.05827%0.272CS..Hα-helixtrans-65.5-39.3174.900000112E482 L483 E484 A489 I490 L505 I510 L513E482-A486 WeakPolarHBondContact O-CB 3.37Å; E482-A486 PolarHBondContact O-N 3.03Å; L483-A486 WeakPolarHBondContact O-CB 3.39Å; L483-A486 PolarHBondContact O-N 2.76Å; E484-A486 VanDerWaalsContact C-N 3.31Å; E484-A486 PolarHBondContact O-N 3.32Å; A486-A489 PolarHBondContact O-N 2.81Å; A486-I490 WeakPolarHBondContact O-CG2 3.07Å; A486-I490 PolarHBondContact O-N 3.31Å; A486-L505 HydrophobicContact CB-CD2 4.4Å; A486-I510 HydrophobicContact CB-CD1 4.36Å; A486-I510 HydrophobicContact CB-CG1 3.73Å; A486-L513 HydrophobicContact CB-CD1 4.26Å
487K91.8Very high90Very high55 Ų5556.3 Ų56.324%0.23930%0.295CS..Hα-helixtrans-64.6-38.9174.4-73.4-177.8-176.7-175.70112.6E359 L483 E484 I490 E491E359-K487 IonicContact OE1-NZ 3.92Å; E359-K487 PolarHBondContact OE1-NZ 2.88Å; E359-K487 IonicContact OE2-NZ 2.91Å; E359-K487 PolarHBondContact OE2-NZ 2.86Å; L483-K487 WeakPolarHBondContact O-CG 3.38Å; L483-K487 PolarHBondContact O-N 2.83Å; E484-K487 PolarHBondContact O-N 3.26Å; K487-I490 WeakPolarHBondContact O-CG2 3.18Å; K487-E491 PolarHBondContact O-N 3.45Å
488I89.7Confident90.1Very high27 Ų2758.7 Ų58.714%0.13831%0.308CS..Hα-helixtrans-67.7-43.6173.6-66.2166.5000110.3E484 Q485 I490 E491 Q492E484-I488 HydrophobicContact CG-CD1 4.14Å; E484-I488 WeakPolarHBondContact O-CG1 3.31Å; E484-I488 PolarHBondContact O-N 3.25Å; Q485-I488 PolarHBondContact O-N 3.02Å; I488-I490 PolarHBondContact O-N 3.33Å; I488-E491 PolarHBondContact O-N 3.19Å; I488-Q492 WeakPolarHBondContact O-CG 3.43Å; I488-Q492 PolarHBondContact O-N 2.82Å
489A91.9Very high90.1Very high27 Ų2760.9 Ų60.922%0.22332%0.316CS..Hα-helixtrans-65.6-34.8-178.500000113.2Q485 A486 Q492 A493 L505Q485-A489 VanDerWaalsContact O-CB 3.28Å; Q485-A489 WeakPolarHBondContact O-CB 3.43Å; Q485-A489 PolarHBondContact O-N 3.01Å; A486-A489 PolarHBondContact O-N 2.81Å; A489-Q492 PolarHBondContact O-N 2.86Å; A489-A493 WeakPolarHBondContact O-CB 3.21Å; A489-A493 PolarHBondContact O-N 3.37Å; A489-L505 HydrophobicContact CB-CD1 3.69Å
490I91.7Very high90.1Very high25 Ų2563.1 Ų63.113%0.12834%0.339CS..Hα-helixtrans-67-40.7175.2-175.1179.7000111.2A486 K487 I488 Q492 A493 R494 M502 L505 Q506 I510A486-I490 WeakPolarHBondContact O-CG2 3.07Å; A486-I490 PolarHBondContact O-N 3.31Å; K487-I490 WeakPolarHBondContact O-CG2 3.18Å; I488-I490 PolarHBondContact O-N 3.33Å; I490-Q492 VanDerWaalsContact C-N 3.34Å; I490-A493 PolarHBondContact O-N 2.96Å; I490-R494 VanDerWaalsContact O-CB 3.32Å; I490-R494 WeakPolarHBondContact O-CB 3.26Å; I490-R494 PolarHBondContact O-N 2.94Å; I490-M502 HydrophobicContact CD1-CG 4.32Å; I490-M502 HydrophobicContact CG1-CG 3.8Å; I490-L505 HydrophobicContact CB-CB 4.25Å; I490-L505 HydrophobicContact CB-CD1 4.22Å; I490-Q506 HydrophobicContact CD1-CB 3.6Å; I490-Q506 HydrophobicContact CD1-CG 3.94Å; I490-I510 HydrophobicContact CB-CD1 4.3Å; I490-I510 HydrophobicContact CD1-CD1 4.27Å; I490-I510 HydrophobicContact CG2-CD1 3.91Å
491E87Confident90.1Very high76 Ų7667 Ų6736%0.35535%0.353SS..Hα-helixtrans-64-40.9175.3-74.4-61.9136.200111.2K487 I488 R494 R495K487-E491 PolarHBondContact O-N 3.45Å; I488-E491 PolarHBondContact O-N 3.19Å; E491-R494 PolarHBondContact O-N 2.72Å; E491-R495 VanDerWaalsContact O-CG 3.24Å; E491-R495 WeakPolarHBondContact O-CG 3.24Å; E491-R495 PolarHBondContact O-N 2.99Å
492Q86.5Confident90.1Very high82 Ų8266.9 Ų66.938%0.38335%0.346SS..Hα-helixtrans-63.9-45173.8-70.8174-10.900112.6I488 A489 I490 R494 R495 V496I488-Q492 WeakPolarHBondContact O-CG 3.43Å; I488-Q492 PolarHBondContact O-N 2.82Å; A489-Q492 PolarHBondContact O-N 2.86Å; I490-Q492 VanDerWaalsContact C-N 3.34Å; Q492-R494 VanDerWaalsContact C-N 3.32Å; Q492-R494 PolarHBondContact O-N 3.44Å; Q492-R495 WeakPolarHBondContact O-CB 3.44Å; Q492-R495 PolarHBondContact O-N 3Å; Q492-V496 PolarHBondContact O-N 3Å; Q492-V496 VanDerWaalsContact O-N 3.08Å
493A88.6Confident90Very high9 Ų965 Ų657%0.07434%0.343CS..Hα-helixtrans-61.6-41.817700000111.6A489 I490 R495 V496 G497 D498 R501 M502A489-A493 WeakPolarHBondContact O-CB 3.21Å; A489-A493 PolarHBondContact O-N 3.37Å; I490-A493 PolarHBondContact O-N 2.96Å; A493-R495 VanDerWaalsContact C-N 3.32Å; A493-R495 PolarHBondContact O-N 3.16Å; A493-V496 PolarHBondContact O-N 2.87Å; A493-G497 PolarHBondContact O-N 2.89Å; A493-D498 HydrophobicContact CB-CB 4.38Å; A493-D498 PolarHBondContact O-N 3.46Å; A493-R501 HydrophobicContact CB-CB 4.18Å; A493-R501 HydrophobicContact CB-CG 4.16Å; A493-M502 HydrophobicContact CB-CB 4.13Å
494R85.7Confident90Very high166 Ų16669.5 Ų69.563%0.62636%0.364SS*.Hα-helixtrans-60.3-40.7174.9-173.9-179.5-178.4-168.1-0.6111.8I490 E491 Q492 G497 M502I490-R494 VanDerWaalsContact O-CB 3.32Å; I490-R494 WeakPolarHBondContact O-CB 3.26Å; I490-R494 PolarHBondContact O-N 2.94Å; E491-R494 PolarHBondContact O-N 2.72Å; Q492-R494 VanDerWaalsContact C-N 3.32Å; Q492-R494 PolarHBondContact O-N 3.44Å; R494-G497 PolarHBondContact O-N 2.6Å; R494-M502 HydrophobicContact CB-SD 4.28Å; R494-M502 HydrophobicContact CG-SD 4.36Å
495R79.2Confident90.1Very high84 Ų8468.3 Ų68.332%0.31736%0.359SS..Hα-helixtrans-65.8-42.3178.1-73.7167.7178.4174.9-1.8113A176 E177 N229 E491 Q492 A493 G497A176-R495 PolarHBondContact O-NH1 3.49Å; E177-R495 PolarHBondContact O-NH1 3.35Å; N229-R495 PolarHBondContact OD1-NE 3.13Å; N229-R495 PolarHBondContact OD1-NH2 3.24Å; E491-R495 VanDerWaalsContact O-CG 3.24Å; E491-R495 WeakPolarHBondContact O-CG 3.24Å; E491-R495 PolarHBondContact O-N 2.99Å; Q492-R495 WeakPolarHBondContact O-CB 3.44Å; Q492-R495 PolarHBondContact O-N 3Å; A493-R495 VanDerWaalsContact C-N 3.32Å; A493-R495 PolarHBondContact O-N 3.16Å; R495-G497 VanDerWaalsContact C-N 3.26Å; R495-G497 PolarHBondContact O-N 2.92Å
496V83.8Confident90.2Very high128 Ų12865.8 Ų65.878%0.77635%0.347SS*.Hα-helixtrans-81.9-7.1179.7-175.10000112.1Q492 A493 D498Q492-V496 PolarHBondContact O-N 3Å; Q492-V496 VanDerWaalsContact O-N 3.08Å; A493-V496 PolarHBondContact O-N 2.87Å; V496-D498 VanDerWaalsContact C-N 3.33Å
497G86.2Confident90.1Very high49 Ų4973.4 Ų73.451%0.50538%0.375SS..THydrogen-bonded Turntrans75.420.3-178.300000113.7A493 R494 R495 L499A493-G497 PolarHBondContact O-N 2.89Å; R494-G497 PolarHBondContact O-N 2.6Å; R495-G497 VanDerWaalsContact C-N 3.26Å; R495-G497 PolarHBondContact O-N 2.92Å; G497-L499 VanDerWaalsContact C-N 3.31Å; G497-L499 PolarHBondContact O-N 3.39Å
498D91.1Very high90.2Very high75 Ų7572.4 Ų72.440%0.40138%0.381SS..  trans-78.281.4174.5-171.9-13.6000110.2A493 V496 A500 R501 M502A493-D498 HydrophobicContact CB-CB 4.38Å; A493-D498 PolarHBondContact O-N 3.46Å; V496-D498 VanDerWaalsContact C-N 3.33Å; D498-A500 PolarHBondContact O-N 3.03Å; D498-A500 PolarHBondContact OD1-N 2.82Å; D498-R501 HydrophobicContact CB-CB 4.3Å; D498-R501 VanDerWaalsContact CG-CB 3.46Å; D498-R501 PolarHBondContact O-N 3.48Å; D498-R501 PolarHBondContact OD1-N 2.85Å; D498-R501 WeakPolarHBondContact OD2-CB 3.43Å; D498-M502 WeakPolarHBondContact O-CB 3.42Å; D498-M502 PolarHBondContact O-N 3.49Å
499L92Very high90.4Very high121 Ų12175.4 Ų75.463%0.63439%0.393SS*.Hα-helixtrans-63.3-29.1-178.3-60.2-179.9000112.7G497 M502 S503G497-L499 VanDerWaalsContact C-N 3.31Å; G497-L499 PolarHBondContact O-N 3.39Å; L499-M502 HydrophobicContact CD2-CE 4.15Å; L499-S503 VanDerWaalsContact O-CB 3.3Å; L499-S503 WeakPolarHBondContact O-CB 3.33Å; L499-S503 PolarHBondContact O-N 3.29Å
500A93.8Very high90.6Very high75 Ų7575 Ų7562%0.6239%0.386SS*.Hα-helixtrans-69.8-51.3-179.700000110.4D498 M502 S503 E504D498-A500 PolarHBondContact O-N 3.03Å; D498-A500 PolarHBondContact OD1-N 2.82Å; A500-M502 PolarHBondContact O-N 3.06Å; A500-S503 PolarHBondContact O-N 3.15Å; A500-E504 PolarHBondContact O-N 3.12Å
501R92.2Very high90.8Very high100 Ų10076.3 Ų76.338%0.37740%0.397SS..Hα-helixtrans-64.5-40.8177.5-175.457.7175.7173.42.3112.1A493 D498 S503 E504 L505A493-R501 HydrophobicContact CB-CB 4.18Å; A493-R501 HydrophobicContact CB-CG 4.16Å; D498-R501 HydrophobicContact CB-CB 4.3Å; D498-R501 VanDerWaalsContact CG-CB 3.46Å; D498-R501 PolarHBondContact O-N 3.48Å; D498-R501 PolarHBondContact OD1-N 2.85Å; D498-R501 WeakPolarHBondContact OD2-CB 3.43Å; R501-S503 PolarHBondContact O-N 3.38Å; R501-E504 IonicContact CZ-OE2 2.73Å; R501-E504 IonicContact NH1-OE1 3.89Å; R501-E504 PolarHBondContact NH1-OE1 2.85Å; R501-E504 IonicContact NH1-OE2 3.76Å; R501-E504 PolarHBondContact NH1-OE2 3.48Å; R501-E504 PolarHBondContact O-N 3.39Å; R501-L505 HydrophobicContact CG-CD1 4.06Å; R501-L505 WeakPolarHBondContact O-CG 2.99Å; R501-L505 PolarHBondContact O-N 2.72Å
502M92.1Very high91.3Very high39 Ų3978 Ų7819%0.19240%0.404CS..Hα-helixtrans-57.7-48.3175.4-174.7-164.174.600111I490 A493 R494 D498 L499 A500 E504 L505 Q506I490-M502 HydrophobicContact CD1-CG 4.32Å; I490-M502 HydrophobicContact CG1-CG 3.8Å; A493-M502 HydrophobicContact CB-CB 4.13Å; R494-M502 HydrophobicContact CB-SD 4.28Å; R494-M502 HydrophobicContact CG-SD 4.36Å; D498-M502 WeakPolarHBondContact O-CB 3.42Å; D498-M502 PolarHBondContact O-N 3.49Å; L499-M502 HydrophobicContact CD2-CE 4.15Å; A500-M502 PolarHBondContact O-N 3.06Å; M502-E504 PolarHBondContact O-N 3.26Å; M502-L505 PolarHBondContact O-N 3.39Å; M502-Q506 WeakPolarHBondContact O-CB 3.08Å; M502-Q506 PolarHBondContact O-N 3.16Å
503S93.2Very high91.8Very high56 Ų5674.2 Ų74.239%0.39239%0.387SS..Hα-helixtrans-64.2-40.3179.3-175.30000112.8L499 A500 R501 Y507L499-S503 VanDerWaalsContact O-CB 3.3Å; L499-S503 WeakPolarHBondContact O-CB 3.33Å; L499-S503 PolarHBondContact O-N 3.29Å; A500-S503 PolarHBondContact O-N 3.15Å; R501-S503 PolarHBondContact O-N 3.38Å; S503-Y507 PolarHBondContact O-N 3.39Å
504E94.6Very high92.1Very high104 Ų10478.3 Ų78.349%0.48641%0.405SS..Hα-helixtrans-61.2-45.9176.6-174.4-159.9156.900111.5A500 R501 M502 G508 K509A500-E504 PolarHBondContact O-N 3.12Å; R501-E504 IonicContact CZ-OE2 2.73Å; R501-E504 IonicContact NH1-OE1 3.89Å; R501-E504 PolarHBondContact NH1-OE1 2.85Å; R501-E504 IonicContact NH1-OE2 3.76Å; R501-E504 PolarHBondContact NH1-OE2 3.48Å; R501-E504 PolarHBondContact O-N 3.39Å; M502-E504 PolarHBondContact O-N 3.26Å; E504-G508 VanDerWaalsContact O-CA 3.23Å; E504-G508 WeakPolarHBondContact O-CA 3.43Å; E504-G508 PolarHBondContact O-N 2.97Å; E504-K509 PolarHBondContact O-N 3.46Å; E504-K509 VanDerWaalsContact O-N 3.16Å
505L94.8Very high92.5Very high3 Ų378 Ų782%0.01641%0.408CS..Iπ-helixtrans-68.6-48.4178.5-68.6172.2000111.3A486 A489 I490 R501 M502 K509 I510A486-L505 HydrophobicContact CB-CD2 4.4Å; A489-L505 HydrophobicContact CB-CD1 3.69Å; I490-L505 HydrophobicContact CB-CB 4.25Å; I490-L505 HydrophobicContact CB-CD1 4.22Å; R501-L505 HydrophobicContact CG-CD1 4.06Å; R501-L505 WeakPolarHBondContact O-CG 2.99Å; R501-L505 PolarHBondContact O-N 2.72Å; M502-L505 PolarHBondContact O-N 3.39Å; L505-K509 HydrophobicContact CD2-CB 4.28Å; L505-K509 PolarHBondContact O-N 3.39Å; L505-I510 HydrophobicContact CB-CD1 4.43Å; L505-I510 VanDerWaalsContact O-CB 3.28Å; L505-I510 WeakPolarHBondContact O-CB 3.25Å; L505-I510 WeakPolarHBondContact O-CG1 3.37Å; L505-I510 PolarHBondContact O-N 2.93Å
506Q94.1Very high93.3Very high74 Ų7477.8 Ų77.835%0.34641%0.411SS..Iπ-helixtrans-65.7-41.6-174.3-169.7174.33.300113.5I490 M502 P511I490-Q506 HydrophobicContact CD1-CB 3.6Å; I490-Q506 HydrophobicContact CD1-CG 3.94Å; M502-Q506 WeakPolarHBondContact O-CB 3.08Å; M502-Q506 PolarHBondContact O-N 3.16Å; Q506-P511 WeakPolarHBondContact O-CD 3.31Å; Q506-P511 VanDerWaalsContact O-CG 3.25Å; Q506-P511 WeakPolarHBondContact O-CG 3.23Å
507Y93.3Very high93.6Very high167 Ų16773.1 Ų73.166%0.65538%0.381SS*.Iπ-helixtrans-109.6-7.3-173-60.3-67.6000113.9S503S503-Y507 PolarHBondContact O-N 3.39Å
508G93.7Very high93.9Very high34 Ų3476.5 Ų76.535%0.35138%0.383SS..Iπ-helixtrans-113.2-82.4176.200000111.5E504 P511 E512E504-G508 VanDerWaalsContact O-CA 3.23Å; E504-G508 WeakPolarHBondContact O-CA 3.43Å; E504-G508 PolarHBondContact O-N 2.97Å; G508-P511 WeakPolarHBondContact O-CD 3.25Å; G508-E512 WeakPolarHBondContact O-CB 3.32Å; G508-E512 PolarHBondContact O-N 3.3Å; G508-E512 VanDerWaalsContact O-N 3.16Å
509K94Very high93.8Very high90 Ų9075.7 Ų75.739%0.39139%0.387SS..Iπ-helixtrans-65.8-44.4-165.9-173.6128.7-176.1167.70113.8E482 E504 L505 E512 L513E482-K509 IonicContact OE2-NZ 3.8Å; E504-K509 PolarHBondContact O-N 3.46Å; E504-K509 VanDerWaalsContact O-N 3.16Å; L505-K509 HydrophobicContact CD2-CB 4.28Å; L505-K509 PolarHBondContact O-N 3.39Å; K509-E512 PolarHBondContact O-N 2.79Å; K509-L513 HydrophobicContact CG-CD1 3.71Å; K509-L513 HydrophobicContact CG-CG 4.27Å; K509-L513 WeakPolarHBondContact O-CB 3.29Å; K509-L513 VanDerWaalsContact O-CG 3.29Å; K509-L513 WeakPolarHBondContact O-CG 3.46Å; K509-L513 PolarHBondContact O-N 2.75Å
510I95.3Very high93.6Very high17 Ų1770.9 Ų70.99%0.08737%0.365CS..Hα-helixtrans-63.4-53.6-179-69.9170.2000111L483 A486 I490 L505 E512 L513 E514L483-I510 HydrophobicContact CD1-CB 4.45Å; L483-I510 HydrophobicContact CD1-CG1 4.48Å; L483-I510 HydrophobicContact CD1-CG2 3.94Å; A486-I510 HydrophobicContact CB-CD1 4.36Å; A486-I510 HydrophobicContact CB-CG1 3.73Å; I490-I510 HydrophobicContact CB-CD1 4.3Å; I490-I510 HydrophobicContact CD1-CD1 4.27Å; I490-I510 HydrophobicContact CG2-CD1 3.91Å; L505-I510 HydrophobicContact CB-CD1 4.43Å; L505-I510 VanDerWaalsContact O-CB 3.28Å; L505-I510 WeakPolarHBondContact O-CB 3.25Å; L505-I510 WeakPolarHBondContact O-CG1 3.37Å; L505-I510 PolarHBondContact O-N 2.93Å; I510-E512 VanDerWaalsContact C-N 3.26Å; I510-E512 PolarHBondContact O-N 3.25Å; I510-L513 PolarHBondContact O-N 2.7Å; I510-L513 VanDerWaalsContact O-N 3.15Å; I510-E514 HydrophobicContact CG2-CG 4.29Å; I510-E514 WeakPolarHBondContact O-CG 3.47Å; I510-E514 PolarHBondContact O-N 3.37Å
511P96.7Very high93.2Very high53 Ų5369.2 Ų69.234%0.34435%0.347SS..Hα-helixtrans-58.3-34.8176.6-27.334.7000114.1Q506 G508 K515Q506-P511 WeakPolarHBondContact O-CD 3.31Å; Q506-P511 VanDerWaalsContact O-CG 3.25Å; Q506-P511 WeakPolarHBondContact O-CG 3.23Å; G508-P511 WeakPolarHBondContact O-CD 3.25Å; P511-K515 WeakPolarHBondContact O-CB 3.38Å; P511-K515 PolarHBondContact O-N 3.18Å; P511-K515 VanDerWaalsContact O-N 3.09Å
512E96.6Very high92.8Very high111 Ų11169.7 Ų69.752%0.51935%0.354SS..Hα-helixtrans-64.8-49175.1-174.3-176.5175.400111.5G508 K509 I510 K515 Q516G508-E512 WeakPolarHBondContact O-CB 3.32Å; G508-E512 PolarHBondContact O-N 3.3Å; G508-E512 VanDerWaalsContact O-N 3.16Å; K509-E512 PolarHBondContact O-N 2.79Å; I510-E512 VanDerWaalsContact C-N 3.26Å; I510-E512 PolarHBondContact O-N 3.25Å; E512-K515 PolarHBondContact O-N 2.9Å; E512-Q516 WeakPolarHBondContact O-CG 3.27Å; E512-Q516 PolarHBondContact O-N 3.37Å; E512-Q516 PolarHBondContact OE1-NE2 2.92Å
513L96.3Very high92.3Very high4 Ų472.7 Ų72.72%0.02137%0.37CS..Hα-helixtrans-63.9-40.2178.3-72.9169.1000111.9I479 E482 L483 A486 K509 I510 K515 Q516 L517I479-L513 HydrophobicContact CG2-CD2 4.16Å; E482-L513 HydrophobicContact CB-CD1 4.08Å; E482-L513 HydrophobicContact CB-CD2 4.01Å; L483-L513 HydrophobicContact CB-CB 4.32Å; L483-L513 HydrophobicContact CB-CD1 4.46Å; L483-L513 HydrophobicContact CD1-CB 4.01Å; A486-L513 HydrophobicContact CB-CD1 4.26Å; K509-L513 HydrophobicContact CG-CD1 3.71Å; K509-L513 HydrophobicContact CG-CG 4.27Å; K509-L513 WeakPolarHBondContact O-CB 3.29Å; K509-L513 VanDerWaalsContact O-CG 3.29Å; K509-L513 WeakPolarHBondContact O-CG 3.46Å; K509-L513 PolarHBondContact O-N 2.75Å; I510-L513 PolarHBondContact O-N 2.7Å; I510-L513 VanDerWaalsContact O-N 3.15Å; L513-K515 VanDerWaalsContact C-N 3.34Å; L513-K515 PolarHBondContact O-N 3.43Å; L513-Q516 PolarHBondContact O-N 3.31Å; L513-L517 VanDerWaalsContact O-CB 3.25Å; L513-L517 WeakPolarHBondContact O-CB 3.46Å; L513-L517 PolarHBondContact O-N 3.19Å
514E94.8Very high91.6Very high95 Ų9570.2 Ų70.244%0.44435%0.352SS..Hα-helixtrans-59.9-44.1174.3-73.7177.7160.100111.4L483 I510 L517 E518L483-E514 HydrophobicContact CD1-CG 3.95Å; L483-E514 HydrophobicContact CD2-CG 4.11Å; I510-E514 HydrophobicContact CG2-CG 4.29Å; I510-E514 WeakPolarHBondContact O-CG 3.47Å; I510-E514 PolarHBondContact O-N 3.37Å; E514-L517 PolarHBondContact O-N 3.02Å; E514-E518 WeakPolarHBondContact O-CB 3.48Å; E514-E518 PolarHBondContact O-N 3.28Å
515K95.8Very high90.5Very high158 Ų15867.9 Ų67.969%0.68736%0.356SS*.Hα-helixtrans-66-40.9176.7-173.8-178180-176.70112.4P511 E512 L513 A519P511-K515 WeakPolarHBondContact O-CB 3.38Å; P511-K515 PolarHBondContact O-N 3.18Å; P511-K515 VanDerWaalsContact O-N 3.09Å; E512-K515 PolarHBondContact O-N 2.9Å; L513-K515 VanDerWaalsContact C-N 3.34Å; L513-K515 PolarHBondContact O-N 3.43Å; K515-A519 WeakPolarHBondContact O-CB 3.42Å; K515-A519 PolarHBondContact O-N 3.47Å
516Q94Very high89.4Confident81 Ų8176.1 Ų76.138%0.37939%0.392SS..Hα-helixtrans-63.5-43.6175.3-72.2177.511.600111I479 E512 L513 A519 A520I479-Q516 HydrophobicContact CD1-CB 4.24Å; I479-Q516 HydrophobicContact CG2-CB 4.24Å; E512-Q516 WeakPolarHBondContact O-CG 3.27Å; E512-Q516 PolarHBondContact O-N 3.37Å; E512-Q516 PolarHBondContact OE1-NE2 2.92Å; L513-Q516 PolarHBondContact O-N 3.31Å; Q516-A519 PolarHBondContact O-N 3.09Å; Q516-A520 WeakPolarHBondContact O-CB 3.47Å; Q516-A520 PolarHBondContact O-N 2.87Å
517L92Very high88.2Confident30 Ų3076.2 Ų76.216%0.15740%0.397CS..Hα-helixtrans-62.4-44.7177.7-179.558.8000111.4T476 I479 K480 L483 L513 E514 A520 T521T476-L517 HydrophobicContact CG2-CD1 3.72Å; I479-L517 HydrophobicContact CG2-CB 3.82Å; I479-L517 HydrophobicContact CG2-CD1 4.47Å; K480-L517 HydrophobicContact CD-CD1 4.39Å; K480-L517 HydrophobicContact CG-CD1 3.52Å; K480-L517 HydrophobicContact CG-CD2 3.98Å; K480-L517 HydrophobicContact CG-CG 4.42Å; L483-L517 HydrophobicContact CD2-CD2 3.93Å; L513-L517 VanDerWaalsContact O-CB 3.25Å; L513-L517 WeakPolarHBondContact O-CB 3.46Å; L513-L517 PolarHBondContact O-N 3.19Å; E514-L517 PolarHBondContact O-N 3.02Å; L517-A520 PolarHBondContact O-N 2.82Å; L517-T521 VanDerWaalsContact O-CB 3.27Å; L517-T521 WeakPolarHBondContact O-CB 3.42Å; L517-T521 PolarHBondContact O-N 2.85Å; L517-T521 PolarHBondContact O-OG1 3.3Å
518E91.2Very high87.4Confident119 Ų11969.8 Ų69.856%0.55637%0.373SS*.Hα-helixtrans-61-46.3176.7-171-178.9-177.700111.1E514 T521 Q522E514-E518 WeakPolarHBondContact O-CB 3.48Å; E514-E518 PolarHBondContact O-N 3.28Å; E518-T521 PolarHBondContact O-N 2.88Å; E518-Q522 WeakPolarHBondContact O-CB 3.14Å; E518-Q522 VanDerWaalsContact O-CG 3.31Å; E518-Q522 WeakPolarHBondContact O-CG 3.18Å; E518-Q522 PolarHBondContact O-N 3.31Å; E518-Q522 PolarHBondContact OE1-NE2 3.29Å
519A90.5Very high86.6Confident58 Ų5878.1 Ų78.148%0.47939%0.394SS..Hα-helixtrans-62.9-43.8177.900000112.5K515 Q516 Q522 L523K515-A519 WeakPolarHBondContact O-CB 3.42Å; K515-A519 PolarHBondContact O-N 3.47Å; Q516-A519 PolarHBondContact O-N 3.09Å; A519-Q522 PolarHBondContact O-N 3.11Å; A519-L523 PolarHBondContact O-N 3.37Å
520A87.4Confident86.1Confident21 Ų2175 Ų7517%0.17438%0.382CS..Hα-helixtrans-63.1-45.9177.300000111.4I479 Q516 L517 Q522 L523 E524I479-A520 HydrophobicContact CD1-CB 4.18Å; Q516-A520 WeakPolarHBondContact O-CB 3.47Å; Q516-A520 PolarHBondContact O-N 2.87Å; L517-A520 PolarHBondContact O-N 2.82Å; A520-Q522 VanDerWaalsContact C-N 3.33Å; A520-Q522 PolarHBondContact O-N 3.27Å; A520-L523 WeakPolarHBondContact O-CB 3.48Å; A520-L523 PolarHBondContact O-N 3.2Å; A520-L523 VanDerWaalsContact O-N 3.16Å; A520-E524 WeakPolarHBondContact O-CG 3.18Å; A520-E524 PolarHBondContact O-N 3.44Å
521T84.8Confident85.6Confident39 Ų3974.8 Ų74.824%0.23938%0.381CS..Hα-helixtrans-63.1-38.1178.1-56.40000112.1L517 E518 G525L517-T521 VanDerWaalsContact O-CB 3.27Å; L517-T521 WeakPolarHBondContact O-CB 3.42Å; L517-T521 PolarHBondContact O-N 2.85Å; L517-T521 PolarHBondContact O-OG1 3.3Å; E518-T521 PolarHBondContact O-N 2.88Å; T521-G525 PolarHBondContact O-N 3.04Å
522Q84.4Confident85Confident110 Ų11080.7 Ų80.751%0.51440%0.396SS..Hα-helixtrans-68.7-35.5175.1-75.7-175.614.900112.8E518 A519 A520E518-Q522 WeakPolarHBondContact O-CB 3.14Å; E518-Q522 VanDerWaalsContact O-CG 3.31Å; E518-Q522 WeakPolarHBondContact O-CG 3.18Å; E518-Q522 PolarHBondContact O-N 3.31Å; E518-Q522 PolarHBondContact OE1-NE2 3.29Å; A519-Q522 PolarHBondContact O-N 3.11Å; A520-Q522 VanDerWaalsContact C-N 3.33Å; A520-Q522 PolarHBondContact O-N 3.27Å
523L80.9Confident84.7Confident102 Ų10276 Ų7653%0.53438%0.375SS..Hα-helixtrans-65.2-50.3176.1-16588.4000110.2A519 A520 G525 K526 T527A519-L523 PolarHBondContact O-N 3.37Å; A520-L523 WeakPolarHBondContact O-CB 3.48Å; A520-L523 PolarHBondContact O-N 3.2Å; A520-L523 VanDerWaalsContact O-N 3.16Å; L523-G525 VanDerWaalsContact C-N 3.26Å; L523-G525 PolarHBondContact O-N 3.07Å; L523-K526 PolarHBondContact O-N 3.33Å; L523-T527 HydrophobicContact CG-CG2 4.42Å; L523-T527 PolarHBondContact O-N 2.89Å; L523-T527 VanDerWaalsContact O-N 3.1Å; L523-T527 PolarHBondContact O-OG1 3.18Å
524E79.1Confident84.5Confident5 Ų579.8 Ų79.82%0.02339%0.391CS..Hα-helixtrans-52.3-45.3176.9-73.3178.417500111.7Q368 T476 A520 K526 T527 M528 N533Q368-E524 PolarHBondContact NE2-OE2 3.43Å; T476-E524 WeakPolarHBondContact CB-OE1 3.23Å; T476-E524 PolarHBondContact OG1-OE1 3.4Å; A520-E524 WeakPolarHBondContact O-CG 3.18Å; A520-E524 PolarHBondContact O-N 3.44Å; E524-K526 PolarHBondContact O-N 3.36Å; E524-K526 VanDerWaalsContact O-N 3.13Å; E524-T527 PolarHBondContact O-N 2.89Å; E524-M528 HydrophobicContact CB-CG 4.11Å; E524-M528 VanDerWaalsContact O-CB 3.31Å; E524-M528 WeakPolarHBondContact O-CB 3.35Å; E524-M528 WeakPolarHBondContact O-CG 3.33Å; E524-M528 PolarHBondContact O-N 3.44Å; E524-M528 VanDerWaalsContact O-N 3.15Å; E524-N533 PolarHBondContact OE2-ND2 3.24Å
525G70.6Confident84.6Confident54 Ų5475.2 Ų75.256%0.55737%0.37SS*.Hα-helixtrans-63.8-17.2-179.900000115.2T521 L523T521-G525 PolarHBondContact O-N 3.04Å; L523-G525 VanDerWaalsContact C-N 3.26Å; L523-G525 PolarHBondContact O-N 3.07Å
526K72.1Confident84.6Confident177 Ų17769.7 Ų69.777%0.7735%0.349SS*.Hα-helixtrans-102.5-30.5179.9-69.9179.1-177.5172.70113.3L523 E524L523-K526 PolarHBondContact O-N 3.33Å; E524-K526 PolarHBondContact O-N 3.36Å; E524-K526 VanDerWaalsContact O-N 3.13Å
527T67.8Low84.6Confident75 Ų7568.5 Ų68.546%0.4635%0.346SS..Hα-helixtrans-99.9-30.7-17054.70000113.4L523 E524 R529L523-T527 HydrophobicContact CG-CG2 4.42Å; L523-T527 PolarHBondContact O-N 2.89Å; L523-T527 VanDerWaalsContact O-N 3.1Å; L523-T527 PolarHBondContact O-OG1 3.18Å; E524-T527 PolarHBondContact O-N 2.89Å; T527-R529 PolarHBondContact O-N 3.12Å
528M76.7Confident84.6Confident32 Ų3268.6 Ų68.616%0.15835%0.35CS..  trans-73.3126.2-171.6-58.3-78-82.100111.2E469 L473 E524 L531E469-M528 HydrophobicContact CB-CE 3.75Å; E469-M528 HydrophobicContact CB-SD 3.41Å; E469-M528 WeakPolarHBondContact CB-SD 3.3Å; E469-M528 HydrophobicContact CG-CE 4.23Å; E469-M528 HydrophobicContact CG-SD 3.38Å; E469-M528 WeakPolarHBondContact CG-SD 3.49Å; E469-M528 WeakPolarHBondContact OE1-CA 3.32Å; L473-M528 HydrophobicContact CD1-CE 3.74Å; L473-M528 HydrophobicContact CD2-CE 3.8Å; L473-M528 HydrophobicContact CG-CE 3.59Å; E524-M528 HydrophobicContact CB-CG 4.11Å; E524-M528 VanDerWaalsContact O-CB 3.31Å; E524-M528 WeakPolarHBondContact O-CB 3.35Å; E524-M528 WeakPolarHBondContact O-CG 3.33Å; E524-M528 PolarHBondContact O-N 3.44Å; E524-M528 VanDerWaalsContact O-N 3.15Å; M528-L531 HydrophobicContact CE-CB 3.85Å; M528-L531 HydrophobicContact CE-CD1 4.31Å
529R78.4Confident84.9Confident209 Ų20963.8 Ų63.879%0.78933%0.328SS*.SBendtrans-123-36.4177.6-67-178.7178.8178.51112.5E469 T527E469-R529 PolarHBondContact OE1-N 3.4Å; T527-R529 PolarHBondContact O-N 3.12Å
530L82.4Confident85.2Confident25 Ų2561 Ų6113%0.13131%0.305CS..SBendtrans-87.8-37.9-172.8-60.8174.1000112.3P413 E415 L462 E465 W466 E469P413-L530 HydrophobicContact CG-CB 4.24Å; E415-L530 WeakPolarHBondContact OE2-CD2 3.46Å; L462-L530 HydrophobicContact CD2-CD1 4.48Å; L462-L530 HydrophobicContact CD2-CD2 4.18Å; L462-L530 WeakPolarHBondContact O-CD1 3.21Å; E465-L530 HydrophobicContact CB-CD1 3.86Å; W466-L530 HydrophobicContact CB-CD1 3.82Å; E469-L530 PolarHBondContact OE1-N 3.4Å; E469-L530 WeakPolarHBondContact OE2-CB 3.5Å; E469-L530 PolarHBondContact OE2-N 3.02Å
531L85.8Confident85.4Confident12 Ų1260 Ų606%0.06330%0.297CS..  trans-104.6136.3-176.3-63.7178.9000112.2I409 P413 E469 K470 L473 M528I409-L531 HydrophobicContact CG2-CD1 4.37Å; P413-L531 HydrophobicContact CG-CD2 4.45Å; E469-L531 HydrophobicContact CB-CD1 3.86Å; E469-L531 HydrophobicContact CB-CG 4.35Å; E469-L531 WeakPolarHBondContact OE2-CB 3.38Å; E469-L531 WeakPolarHBondContact OE2-CG 3.01Å; E469-L531 PolarHBondContact OE2-N 3.46Å; K470-L531 HydrophobicContact CG-CD1 3.71Å; L473-L531 HydrophobicContact CD1-CD1 3.87Å; M528-L531 HydrophobicContact CE-CB 3.85Å; M528-L531 HydrophobicContact CE-CD1 4.31Å
532R83.8Confident85.8Confident177 Ų17762.5 Ų62.567%0.66831%0.306SS*.  trans-102.1123.1166.3-65.4-178.6175.1-172.5-0.5108.4I405 I409I405-R532 WeakPolarHBondContact CG2-O 3.38Å; I409-R532 WeakPolarHBondContact CG1-O 3.43Å
533N89.2Confident86.4Confident12 Ų1257.3 Ų57.36%0.06428%0.282CS..  trans-118.35.7178.473.6-29.8000113.8V367 Q368 I409 L473 E524V367-N533 CarbonylContact C-O 3.59Å; V367-N533 WeakPolarHBondContact CA-O 2.96Å; V367-N533 WeakPolarHBondContact CB-O 3.36Å; Q368-N533 PolarHBondContact N-O 2.84Å; Q368-N533 PolarHBondContact NE2-ND2 3.36Å; I409-N533 HydrophobicContact CD1-CB 3.94Å; L473-N533 HydrophobicContact CD1-CB 4.32Å; L473-N533 HydrophobicContact CD2-CB 3.64Å; L473-N533 WeakPolarHBondContact CD2-ND2 3.27Å; E524-N533 PolarHBondContact OE2-ND2 3.24Å
534K92.7Very high86.7Confident84 Ų8452.5 Ų52.537%0.36526%0.256SS..EExtended strand (participates in β ladder)trans-106.4130-175.9-63.1-171.9178.6-178.40110.7Q368 T370 T536Q368-K534 HydrophobicContact CB-CG 4.13Å; Q368-K534 CarbonylContact O-C 3.6Å; Q368-K534 VanDerWaalsContact O-CA 3.27Å; Q368-K534 WeakPolarHBondContact O-CA 3.36Å; Q368-K534 VanDerWaalsContact OE1-CE 3.25Å; T370-K534 HydrophobicContact CG2-CB 4.27Å; T370-K534 HydrophobicContact CG2-CD 4.42Å; K534-T536 HydrophobicContact CB-CG2 4.35Å
535V96.8Very high87.1Confident0 Ų053.2 Ų53.20%026%0.263CS..EExtended strand (participates in β ladder)trans-85.6116.1164.5-176.50000107.8V367 Q368 I369 T370 A373 A401 A402 I405 E539 I540V367-V535 HydrophobicContact CG2-CG2 4.05Å; Q368-V535 PolarHBondContact O-N 2.92Å; I369-V535 HydrophobicContact CG1-CB 4.29Å; I369-V535 HydrophobicContact CG1-CG2 4.29Å; T370-V535 WeakPolarHBondContact CB-O 3.5Å; T370-V535 WeakPolarHBondContact CG2-O 3.46Å; T370-V535 PolarHBondContact N-O 2.95Å; T370-V535 PolarHBondContact OG1-O 3.18Å; A373-V535 HydrophobicContact CB-CG1 4.06Å; A373-V535 WeakPolarHBondContact CB-O 3.38Å; A401-V535 HydrophobicContact CB-CG1 3.62Å; A402-V535 HydrophobicContact CB-CG2 4.1Å; I405-V535 HydrophobicContact CB-CG2 4.49Å; I405-V535 HydrophobicContact CG1-CG2 4.09Å; V535-E539 HydrophobicContact CG1-CB 4.37Å; V535-I540 HydrophobicContact CG1-CD1 4.17Å
536T95.5Very high87.9Confident41 Ų4157.8 Ų57.825%0.25226%0.264SS..  trans-111.4177176.974.40000110.8T370 K534 A538 E539 I540T370-T536 HydrophobicContact CG2-CG2 4.21Å; T370-T536 WeakPolarHBondContact OG1-CA 3.25Å; K534-T536 HydrophobicContact CB-CG2 4.35Å; T536-A538 PolarHBondContact O-N 3.41Å; T536-A538 PolarHBondContact OG1-N 2.99Å; T536-E539 WeakPolarHBondContact CA-OE2 3.44Å; T536-E539 VanDerWaalsContact CB-OE2 3.3Å; T536-E539 WeakPolarHBondContact CB-OE2 3.29Å; T536-E539 PolarHBondContact N-OE2 3.31Å; T536-E539 PolarHBondContact O-N 3.43Å; T536-E539 PolarHBondContact OG1-OE2 2.87Å; T536-I540 WeakPolarHBondContact O-CG1 3.44Å; T536-I540 PolarHBondContact O-N 3.48Å
537D94.4Very high88.7Confident57 Ų5753.5 Ų53.531%0.30524%0.243SC..Hα-helixtrans-58.3-28.617251.9-16.5000112.7A376 I540 A541 M556A376-D537 HydrophobicContact CB-CB 3.71Å; D537-I540 PolarHBondContact O-N 3.19Å; D537-A541 WeakPolarHBondContact O-CB 3.41Å; D537-A541 PolarHBondContact O-N 3.46Å; D537-M556 HydrophobicContact CB-CE 4.39Å; D537-M556 WeakPolarHBondContact OD2-CE 3.37Å
538A92.9Very high89.2Confident31 Ų3152.3 Ų52.326%0.25624%0.235SC..Hα-helixtrans-63-48.6174.700000112.4T536 I540 A541 E542T536-A538 PolarHBondContact O-N 3.41Å; T536-A538 PolarHBondContact OG1-N 2.99Å; A538-I540 VanDerWaalsContact C-N 3.31Å; A538-I540 PolarHBondContact O-N 3.11Å; A538-A541 PolarHBondContact O-N 3.3Å; A538-A541 VanDerWaalsContact O-N 3.16Å; A538-E542 WeakPolarHBondContact O-CG 3.47Å; A538-E542 PolarHBondContact O-N 3.49Å
539E96.1Very high89.3Confident19 Ų1953.7 Ų53.79%0.08926%0.258CS..Hα-helixtrans-65-36.3179.2-7371.6-145.200111.9A401 I405 V535 T536 A541 E542 V543A401-E539 HydrophobicContact CB-CB 4.12Å; I405-E539 HydrophobicContact CD1-CG 3.71Å; I405-E539 HydrophobicContact CG1-CG 4.04Å; V535-E539 HydrophobicContact CG1-CB 4.37Å; T536-E539 WeakPolarHBondContact CA-OE2 3.44Å; T536-E539 VanDerWaalsContact CB-OE2 3.3Å; T536-E539 WeakPolarHBondContact CB-OE2 3.29Å; T536-E539 PolarHBondContact N-OE2 3.31Å; T536-E539 PolarHBondContact O-N 3.43Å; T536-E539 PolarHBondContact OG1-OE2 2.87Å; E539-A541 VanDerWaalsContact C-N 3.35Å; E539-E542 PolarHBondContact O-N 3.37Å; E539-V543 VanDerWaalsContact O-CG2 3.32Å; E539-V543 WeakPolarHBondContact O-CG2 3.42Å; E539-V543 PolarHBondContact O-N 2.92Å
540I97.4Very high89.3Confident0 Ų045 Ų450%023%0.227CC..Hα-helixtrans-60.7-46.7173-61.5-59.9000110.5A373 A376 A377 L380 L397 I398 A401 V535 T536 D537 A538 E542 V543 L544A373-I540 HydrophobicContact CB-CG1 4.03Å; A376-I540 HydrophobicContact CB-CB 4.38Å; A376-I540 HydrophobicContact CB-CG2 4.22Å; A377-I540 HydrophobicContact CB-CD1 4.11Å; A377-I540 HydrophobicContact CB-CG1 4.45Å; A377-I540 HydrophobicContact CB-CG2 4.19Å; L380-I540 HydrophobicContact CD1-CG2 4.38Å; L397-I540 HydrophobicContact CB-CD1 4.33Å; L397-I540 HydrophobicContact CB-CG2 4.47Å; L397-I540 HydrophobicContact CD1-CG2 4.09Å; I398-I540 HydrophobicContact CD1-CD1 3.86Å; I398-I540 HydrophobicContact CG1-CD1 4.37Å; A401-I540 HydrophobicContact CB-CD1 3.78Å; V535-I540 HydrophobicContact CG1-CD1 4.17Å; T536-I540 WeakPolarHBondContact O-CG1 3.44Å; T536-I540 PolarHBondContact O-N 3.48Å; D537-I540 PolarHBondContact O-N 3.19Å; A538-I540 VanDerWaalsContact C-N 3.31Å; A538-I540 PolarHBondContact O-N 3.11Å; I540-E542 VanDerWaalsContact C-N 3.34Å; I540-E542 PolarHBondContact O-N 3.25Å; I540-V543 PolarHBondContact O-N 3.38Å; I540-L544 VanDerWaalsContact O-CB 3.31Å; I540-L544 WeakPolarHBondContact O-CB 3.1Å; I540-L544 PolarHBondContact O-N 2.76Å
541A92.5Very high89.1Confident0 Ų046.6 Ų46.60%024%0.239CC..Hα-helixtrans-65.2-36177.900000112.1L380 D537 A538 E539 L544 A545 V552 M555 M556L380-A541 HydrophobicContact CD1-CB 4.48Å; D537-A541 WeakPolarHBondContact O-CB 3.41Å; D537-A541 PolarHBondContact O-N 3.46Å; A538-A541 PolarHBondContact O-N 3.3Å; A538-A541 VanDerWaalsContact O-N 3.16Å; E539-A541 VanDerWaalsContact C-N 3.35Å; A541-L544 PolarHBondContact O-N 3.32Å; A541-A545 WeakPolarHBondContact O-CB 3.47Å; A541-A545 PolarHBondContact O-N 3.44Å; A541-V552 HydrophobicContact CB-CG1 3.9Å; A541-M555 HydrophobicContact CB-CB 4.39Å; A541-M555 HydrophobicContact CB-CE 4.4Å; A541-M555 VanDerWaalsContact O-CE 3.23Å; A541-M555 WeakPolarHBondContact O-CE 3.46Å; A541-M556 HydrophobicContact CB-CG 4.25Å; A541-M556 HydrophobicContact CB-SD 3.98Å
542E93.1Very high89Confident90 Ų9048.2 Ų48.242%0.42125%0.249SC..Hα-helixtrans-65.5-42.8175.5-75.5179.4-175.100112.9A538 E539 I540 R546 V552A538-E542 WeakPolarHBondContact O-CG 3.47Å; A538-E542 PolarHBondContact O-N 3.49Å; E539-E542 PolarHBondContact O-N 3.37Å; I540-E542 VanDerWaalsContact C-N 3.34Å; I540-E542 PolarHBondContact O-N 3.25Å; E542-R546 WeakPolarHBondContact O-CG 3.47Å; E542-R546 PolarHBondContact O-N 3.49Å; E542-V552 HydrophobicContact CG-CG2 3.98Å
543V95.5Very high88.8Confident2 Ų244.3 Ų44.31%0.01225%0.249CC..Hα-helixtrans-61.5-50.5172.8175.50000109.8L397 E400 A401 E539 I540 A545 R546 W547L397-V543 HydrophobicContact CD2-CB 4.11Å; L397-V543 HydrophobicContact CD2-CG1 3.55Å; E400-V543 HydrophobicContact CB-CG1 4.04Å; E400-V543 HydrophobicContact CB-CG2 4.43Å; E400-V543 HydrophobicContact CG-CG1 4.08Å; E400-V543 HydrophobicContact CG-CG2 4.32Å; A401-V543 HydrophobicContact CB-CG2 4Å; E539-V543 VanDerWaalsContact O-CG2 3.32Å; E539-V543 WeakPolarHBondContact O-CG2 3.42Å; E539-V543 PolarHBondContact O-N 2.92Å; I540-V543 PolarHBondContact O-N 3.38Å; V543-A545 VanDerWaalsContact C-N 3.28Å; V543-A545 PolarHBondContact O-N 3.09Å; V543-R546 WeakPolarHBondContact O-CB 3.26Å; V543-R546 PolarHBondContact O-N 2.97Å; V543-W547 HydrophobicContact CG1-CD2 4.36Å; V543-W547 HydrophobicContact CG1-CZ2 3.93Å; V543-W547 PolarHBondContact O-N 3.25Å; V543-W547 VanDerWaalsContact O-N 3.09Å
544L88.6Confident88.1Confident0 Ų048.8 Ų48.80%027%0.265CS..Hα-helixtrans-63.2-34.7-178.3-171.860.3000112.6L380 Y384 I385 L397 I540 A541 R546 W547 T548 M555L380-L544 HydrophobicContact CB-CD2 3.5Å; L380-L544 VanDerWaalsContact CB-CD2 3.5Å; Y384-L544 HydrophobicContact CD2-CD2 3.87Å; Y384-L544 HydrophobicContact CG-CD2 4.45Å; I385-L544 HydrophobicContact CD1-CD1 3.55Å; I385-L544 HydrophobicContact CG1-CD1 3.63Å; L397-L544 HydrophobicContact CD1-CD1 4.34Å; L397-L544 HydrophobicContact CD2-CB 4.22Å; L397-L544 HydrophobicContact CD2-CD1 4.32Å; I540-L544 VanDerWaalsContact O-CB 3.31Å; I540-L544 WeakPolarHBondContact O-CB 3.1Å; I540-L544 PolarHBondContact O-N 2.76Å; A541-L544 PolarHBondContact O-N 3.32Å; L544-R546 VanDerWaalsContact C-N 3.31Å; L544-R546 PolarHBondContact O-N 3.47Å; L544-W547 PolarHBondContact O-N 3.5Å; L544-T548 HydrophobicContact CD1-CG2 3.74Å; L544-T548 HydrophobicContact CG-CG2 4.26Å; L544-T548 WeakPolarHBondContact O-CB 3.21Å; L544-T548 PolarHBondContact O-N 2.92Å; L544-T548 PolarHBondContact O-OG1 3.05Å; L544-M555 HydrophobicContact CB-CE 4.49Å; L544-M555 HydrophobicContact CB-SD 4.13Å; L544-M555 HydrophobicContact CD2-SD 3.6Å; L544-M555 HydrophobicContact CG-SD 3.84Å
545A86.1Confident87.5Confident20 Ų2045.5 Ų45.517%0.16525%0.251CS..Hα-helixtrans-62.2-38.617400000111.7A541 V543 G549 I550 V552 M555A541-A545 WeakPolarHBondContact O-CB 3.47Å; A541-A545 PolarHBondContact O-N 3.44Å; V543-A545 VanDerWaalsContact C-N 3.28Å; V543-A545 PolarHBondContact O-N 3.09Å; A545-G549 WeakPolarHBondContact O-CA 3.42Å; A545-G549 PolarHBondContact O-N 3.48Å; A545-I550 VanDerWaalsContact CA-O 3.24Å; A545-I550 WeakPolarHBondContact CA-O 3.13Å; A545-I550 WeakPolarHBondContact CB-O 3.43Å; A545-V552 HydrophobicContact CB-CG2 3.79Å; A545-M555 HydrophobicContact CB-CE 3.68Å
546R88.1Confident86.6Confident151 Ų15149.2 Ų49.257%0.5727%0.269SS*.Hα-helixtrans-69.1-36.5175.5-69.4-178.7-67.9145.510112E400 E542 V543 L544E400-R546 IonicContact OE1-CZ 2.97Å; E400-R546 IonicContact OE1-NH1 3.57Å; E400-R546 IonicContact OE1-NH2 2.69Å; E400-R546 PolarHBondContact OE1-NH2 3.4Å; E542-R546 WeakPolarHBondContact O-CG 3.47Å; E542-R546 PolarHBondContact O-N 3.49Å; V543-R546 WeakPolarHBondContact O-CB 3.26Å; V543-R546 PolarHBondContact O-N 2.97Å; L544-R546 VanDerWaalsContact C-N 3.31Å; L544-R546 PolarHBondContact O-N 3.47Å
547W88.7Confident85.7Confident87 Ų8750.3 Ų50.333%0.3327%0.272SS..Hα-helixtrans-72.7-40.7178.6-68.410.6000113.1I385 D396 L397 E400 V543 L544I385-W547 HydrophobicContact CD1-CE3 3.51Å; I385-W547 HydrophobicContact CD1-CZ3 3.58Å; D396-W547 HydrophobicContact CB-CH2 3.67Å; D396-W547 HydrophobicContact CB-CZ2 4.41Å; L397-W547 HydrophobicContact CD2-CD2 4.18Å; L397-W547 HydrophobicContact CD2-CE3 3.85Å; L397-W547 HydrophobicContact CD2-CH2 3.64Å; L397-W547 HydrophobicContact CD2-CZ2 4.02Å; L397-W547 HydrophobicContact CD2-CZ3 3.56Å; L397-W547 HydrophobicContact CG-CH2 3.98Å; L397-W547 HydrophobicContact CG-CZ3 3.9Å; E400-W547 VanDerWaalsContact OE2-CE2 3.25Å; E400-W547 WeakPolarHBondContact OE2-CZ2 3.44Å; E400-W547 PolarHBondContact OE2-NE1 3.27Å; V543-W547 HydrophobicContact CG1-CD2 4.36Å; V543-W547 HydrophobicContact CG1-CZ2 3.93Å; V543-W547 PolarHBondContact O-N 3.25Å; V543-W547 VanDerWaalsContact O-N 3.09Å; L544-W547 PolarHBondContact O-N 3.5Å
548T79.8Confident84.8Confident49 Ų4950.4 Ų50.430%0.30128%0.276SS..Hα-helixtrans-105.8-18.6-169.2630000113.9I385 L544 I550I385-T548 HydrophobicContact CG1-CG2 4.36Å; L544-T548 HydrophobicContact CD1-CG2 3.74Å; L544-T548 HydrophobicContact CG-CG2 4.26Å; L544-T548 WeakPolarHBondContact O-CB 3.21Å; L544-T548 PolarHBondContact O-N 2.92Å; L544-T548 PolarHBondContact O-OG1 3.05Å; T548-I550 PolarHBondContact O-N 3.41Å; T548-I550 PolarHBondContact OG1-N 3.35Å
549G77.4Confident84Confident62 Ų6252.9 Ų52.964%0.63928%0.283SS*.  trans77.21.5-170.800000114.5A545A545-G549 WeakPolarHBondContact O-CA 3.42Å; A545-G549 PolarHBondContact O-N 3.48Å
550I78.4Confident83.2Confident25 Ų2561 Ų6113%0.12831%0.312CS..  trans-77.5128.8179.9-59.6174.6000109.3Y384 A545 T548 R554 M555 D628Y384-I550 HydrophobicContact CD1-CD1 3.33Å; Y384-I550 HydrophobicContact CE1-CD1 3.89Å; Y384-I550 HydrophobicContact CG-CD1 3.99Å; A545-I550 VanDerWaalsContact CA-O 3.24Å; A545-I550 WeakPolarHBondContact CA-O 3.13Å; A545-I550 WeakPolarHBondContact CB-O 3.43Å; T548-I550 PolarHBondContact O-N 3.41Å; T548-I550 PolarHBondContact OG1-N 3.35Å; I550-R554 HydrophobicContact CG2-CB 4.31Å; I550-M555 HydrophobicContact CB-CE 4.34Å; I550-M555 HydrophobicContact CG2-CE 4.36Å; I550-M555 HydrophobicContact CG2-CG 3.97Å; I550-M555 HydrophobicContact CG2-SD 4.38Å; I550-M555 WeakPolarHBondContact O-CE 3.48Å; I550-D628 HydrophobicContact CD1-CB 4.36Å; I550-D628 HydrophobicContact CG2-CB 4.47Å
551P78.8Confident82.4Confident60 Ų6066 Ų6639%0.3934%0.336SS..  trans-63.4139.4-179.7-22.332.5000113S553 R554 M555P551-S553 PolarHBondContact O-N 3.33Å; P551-R554 HydrophobicContact CB-CG 4.31Å; P551-R554 HydrophobicContact CG-CG 4.42Å; P551-R554 WeakPolarHBondContact O-CB 3.38Å; P551-R554 PolarHBondContact O-N 3Å; P551-M555 PolarHBondContact O-N 3.04Å
552V83.5Confident82Confident46 Ų4667 Ų6728%0.27934%0.34SS..Hα-helixtrans-52.3-41.4177.1177.50000112A541 E542 A545 R554 M555 M556A541-V552 HydrophobicContact CB-CG1 3.9Å; E542-V552 HydrophobicContact CG-CG2 3.98Å; A545-V552 HydrophobicContact CB-CG2 3.79Å; V552-R554 PolarHBondContact O-N 2.8Å; V552-M555 PolarHBondContact O-N 3.21Å; V552-M556 HydrophobicContact CG1-CG 3.81Å; V552-M556 WeakPolarHBondContact O-CB 3.47Å; V552-M556 WeakPolarHBondContact O-CG 3.45Å; V552-M556 PolarHBondContact O-N 2.94Å
553S79.5Confident81.8Confident94 Ų9463.5 Ų63.566%0.65732%0.324SS*.Hα-helixtrans-58.2-31178.754.70000113.5P551 E557P551-S553 PolarHBondContact O-N 3.33Å; S553-E557 PolarHBondContact O-N 2.91Å
554R74.8Confident81.5Confident107 Ų10768.8 Ų68.840%0.40435%0.352SS..Hα-helixtrans-78-32176.9-62.9-162.2-175.2-177.3-0.5112.8I550 P551 V552 D628I550-R554 HydrophobicContact CG2-CB 4.31Å; P551-R554 HydrophobicContact CB-CG 4.31Å; P551-R554 HydrophobicContact CG-CG 4.42Å; P551-R554 WeakPolarHBondContact O-CB 3.38Å; P551-R554 PolarHBondContact O-N 3Å; V552-R554 PolarHBondContact O-N 2.8Å; R554-D628 WeakPolarHBondContact CD-OD1 3.23Å; R554-D628 IonicContact CZ-OD1 2.82Å; R554-D628 IonicContact NE-OD1 2.69Å; R554-D628 IonicContact NH1-OD1 3.64Å; R554-D628 PolarHBondContact NH1-OD1 3.11Å
555M79.4Confident81.5Confident14 Ų1474.9 Ų74.97%0.06938%0.375CS..Hα-helixtrans-77.3-34.6178-69.2-176.4-82.600112.2L380 Y384 A541 L544 A545 I550 P551 V552L380-M555 HydrophobicContact CD2-CB 4.49Å; Y384-M555 HydrophobicContact CD2-CG 4.32Å; Y384-M555 HydrophobicContact CD2-SD 4.2Å; Y384-M555 HydrophobicContact CE2-CB 4.49Å; Y384-M555 HydrophobicContact CE2-CG 3.74Å; Y384-M555 HydrophobicContact CE2-SD 4.21Å; A541-M555 HydrophobicContact CB-CB 4.39Å; A541-M555 HydrophobicContact CB-CE 4.4Å; A541-M555 VanDerWaalsContact O-CE 3.23Å; A541-M555 WeakPolarHBondContact O-CE 3.46Å; L544-M555 HydrophobicContact CB-CE 4.49Å; L544-M555 HydrophobicContact CB-SD 4.13Å; L544-M555 HydrophobicContact CD2-SD 3.6Å; L544-M555 HydrophobicContact CG-SD 3.84Å; A545-M555 HydrophobicContact CB-CE 3.68Å; I550-M555 HydrophobicContact CB-CE 4.34Å; I550-M555 HydrophobicContact CG2-CE 4.36Å; I550-M555 HydrophobicContact CG2-CG 3.97Å; I550-M555 HydrophobicContact CG2-SD 4.38Å; I550-M555 WeakPolarHBondContact O-CE 3.48Å; P551-M555 PolarHBondContact O-N 3.04Å; V552-M555 PolarHBondContact O-N 3.21Å
556M77.9Confident81.8Confident78 Ų7873.9 Ų73.938%0.38437%0.367SS..SBendtrans-84.8-7.1179-64.9-53.6-50.100113.7D537 A541 V552 S558D537-M556 HydrophobicContact CB-CE 4.39Å; D537-M556 WeakPolarHBondContact OD2-CE 3.37Å; A541-M556 HydrophobicContact CB-CG 4.25Å; A541-M556 HydrophobicContact CB-SD 3.98Å; V552-M556 HydrophobicContact CG1-CG 3.81Å; V552-M556 WeakPolarHBondContact O-CB 3.47Å; V552-M556 WeakPolarHBondContact O-CG 3.45Å; V552-M556 PolarHBondContact O-N 2.94Å; M556-S558 PolarHBondContact O-N 3.29Å
557E77.1Confident82.2Confident65 Ų6568.6 Ų68.630%0.30435%0.349SS..SBendtrans-63.8129.5176.9-171178.5-158.800110.1S553 E559 K562S553-E557 PolarHBondContact O-N 2.91Å; E557-E559 PolarHBondContact O-N 3.09Å; E557-E559 VanDerWaalsContact O-N 3.14Å; E557-K562 HydrophobicContact CG-CB 4.19Å; E557-K562 WeakPolarHBondContact OE2-CG 3.43Å
558S76.1Confident82.4Confident58 Ų5870 Ų7041%0.40636%0.359SS..  trans-56.3122.3173.11730000109.5M556 R560 E561 K562M556-S558 PolarHBondContact O-N 3.29Å; S558-R560 PolarHBondContact O-N 2.9Å; S558-E561 PolarHBondContact O-N 3.07Å; S558-K562 PolarHBondContact O-N 3.14Å
559E75.7Confident83Confident83 Ų8372 Ų7239%0.38837%0.365SS..Hα-helixtrans-53.7-35.3-179.8-173.8174.6-153.500111.2E557 K562 L563 R592E557-E559 PolarHBondContact O-N 3.09Å; E557-E559 VanDerWaalsContact O-N 3.14Å; E559-K562 PolarHBondContact O-N 2.99Å; E559-L563 HydrophobicContact CG-CD1 4.02Å; E559-L563 HydrophobicContact CG-CG 4.32Å; E559-L563 WeakPolarHBondContact O-CB 3.4Å; E559-L563 WeakPolarHBondContact O-CG 3.24Å; E559-L563 PolarHBondContact O-N 2.57Å; E559-R592 VanDerWaalsContact OE1-CD 3.25Å; E559-R592 WeakPolarHBondContact OE1-CD 3.05Å; E559-R592 IonicContact OE1-CZ 3.66Å; E559-R592 IonicContact OE1-NE 3.54Å; E559-R592 PolarHBondContact OE1-NE 3.03Å; E559-R592 IonicContact OE1-NH1 2.98Å; E559-R592 PolarHBondContact OE1-NH1 2.68Å
560R78.1Confident83.8Confident190 Ų19069.1 Ų69.172%0.71734%0.335SS*.Hα-helixtrans-61.7-46.7175.2-178.4-179.5175.9-179.7-1.1112.3S558 L564S558-R560 PolarHBondContact O-N 2.9Å; R560-L564 HydrophobicContact CG-CD1 4.14Å; R560-L564 VanDerWaalsContact O-CG 3.26Å; R560-L564 WeakPolarHBondContact O-CG 3.47Å; R560-L564 PolarHBondContact O-N 3.33Å; R560-L564 VanDerWaalsContact O-N 3.09Å
561E82.4Confident84.7Confident105 Ų10570.6 Ų70.649%0.49134%0.341SS..Hα-helixtrans-67.2-41.5-179.5-68.9-173.8172.400111.2S558 L563 L564 R565S558-E561 PolarHBondContact O-N 3.07Å; E561-L563 PolarHBondContact O-N 2.76Å; E561-L564 PolarHBondContact O-N 3.32Å; E561-R565 PolarHBondContact O-N 2.99Å
562K84.3Confident85.4Confident20 Ų2074 Ų749%0.08735%0.351CS..Hα-helixtrans-53.7-57173.4-168.8170.5-173.3174.50110.1E557 S558 E559 L564 R565 M566 F625 D628E557-K562 HydrophobicContact CG-CB 4.19Å; E557-K562 WeakPolarHBondContact OE2-CG 3.43Å; S558-K562 PolarHBondContact O-N 3.14Å; E559-K562 PolarHBondContact O-N 2.99Å; K562-L564 VanDerWaalsContact C-N 3.29Å; K562-L564 PolarHBondContact O-N 3.38Å; K562-R565 PolarHBondContact O-N 2.79Å; K562-R565 VanDerWaalsContact O-N 3.09Å; K562-M566 PolarHBondContact O-N 2.76Å; K562-F625 WeakPolarHBondContact CE-O 3.22Å; K562-F625 HydrophobicContact CG-CE1 4.23Å; K562-F625 HydrophobicContact CG-CE2 4.13Å; K562-F625 HydrophobicContact CG-CZ 3.68Å; K562-F625 PolarHBondContact NZ-O 2.93Å; K562-F625 VanDerWaalsContact O-CZ 3.27Å; K562-F625 WeakPolarHBondContact O-CZ 3.37Å; K562-D628 IonicContact NZ-OD1 2.66Å; K562-D628 IonicContact NZ-OD2 3.84Å
563L87.3Confident85.8Confident18 Ų1876.1 Ų76.19%0.09435%0.354CS..Hα-helixtrans-63.8-27.2-177.3-67.5175.4000114.7E559 E561 R565 M566 I588 R589 R592 F625E559-L563 HydrophobicContact CG-CD1 4.02Å; E559-L563 HydrophobicContact CG-CG 4.32Å; E559-L563 WeakPolarHBondContact O-CB 3.4Å; E559-L563 WeakPolarHBondContact O-CG 3.24Å; E559-L563 PolarHBondContact O-N 2.57Å; E561-L563 PolarHBondContact O-N 2.76Å; L563-R565 VanDerWaalsContact C-N 3.27Å; L563-M566 HydrophobicContact CD2-CE 3.3Å; L563-M566 WeakPolarHBondContact O-CB 3.47Å; L563-M566 PolarHBondContact O-N 2.81Å; L563-I588 HydrophobicContact CD2-CG2 3.88Å; L563-R589 HydrophobicContact CB-CG 4.07Å; L563-R589 PolarHBondContact O-NH1 3.21Å; L563-R589 VanDerWaalsContact O-NH1 3.12Å; L563-R592 HydrophobicContact CD1-CB 3.72Å; L563-R592 HydrophobicContact CD1-CG 3.85Å; L563-F625 HydrophobicContact CD2-CE1 4.37Å
564L88.7Confident86.5Confident113 Ų11371.8 Ų71.859%0.59232%0.324SS*.Hα-helixtrans-71.1-22.5176.5-79170.5000112.8R560 E561 K562R560-L564 HydrophobicContact CG-CD1 4.14Å; R560-L564 VanDerWaalsContact O-CG 3.26Å; R560-L564 WeakPolarHBondContact O-CG 3.47Å; R560-L564 PolarHBondContact O-N 3.33Å; R560-L564 VanDerWaalsContact O-N 3.09Å; E561-L564 PolarHBondContact O-N 3.32Å; K562-L564 VanDerWaalsContact C-N 3.29Å; K562-L564 PolarHBondContact O-N 3.38Å
565R89.6Confident87.4Confident127 Ų12773.8 Ų73.848%0.47934%0.341SS..THydrogen-bonded Turntrans-100.76.5178.2-62.2-179.9-176.3165.15.4112.9E561 K562 L563 E567 Q568 E569E561-R565 PolarHBondContact O-N 2.99Å; K562-R565 PolarHBondContact O-N 2.79Å; K562-R565 VanDerWaalsContact O-N 3.09Å; L563-R565 VanDerWaalsContact C-N 3.27Å; R565-E567 PolarHBondContact O-N 3.4Å; R565-Q568 WeakPolarHBondContact O-CB 3.26Å; R565-Q568 PolarHBondContact O-N 3.4Å; R565-Q568 VanDerWaalsContact O-N 3.12Å; R565-E569 HydrophobicContact CB-CG 4.42Å; R565-E569 WeakPolarHBondContact O-CG 3.3Å; R565-E569 PolarHBondContact O-N 3.45Å
566M93.3Very high88Confident0 Ų076 Ų760%037%0.367CS..Hα-helixtrans-56.1-48.6-171-172.6-178.3-68.800112.9K562 L563 Q568 E569 L570 S585 I588 L622 F625 M626K562-M566 PolarHBondContact O-N 2.76Å; L563-M566 HydrophobicContact CD2-CE 3.3Å; L563-M566 WeakPolarHBondContact O-CB 3.47Å; L563-M566 PolarHBondContact O-N 2.81Å; M566-Q568 VanDerWaalsContact C-N 3.31Å; M566-Q568 PolarHBondContact O-N 2.96Å; M566-E569 PolarHBondContact O-N 3.08Å; M566-L570 HydrophobicContact CG-CD1 3.8Å; M566-L570 HydrophobicContact CG-CG 4.15Å; M566-L570 WeakPolarHBondContact O-CB 3.33Å; M566-L570 VanDerWaalsContact O-CG 3.25Å; M566-L570 WeakPolarHBondContact O-CG 3.47Å; M566-L570 PolarHBondContact O-N 3.4Å; M566-L570 HydrophobicContact SD-CD1 4.34Å; M566-S585 WeakPolarHBondContact SD-CA 3.36Å; M566-S585 PolarHBondContact SD-OG 3.26Å; M566-I588 HydrophobicContact CE-CB 3.9Å; M566-I588 HydrophobicContact CE-CD1 3.93Å; M566-I588 HydrophobicContact CE-CG2 3.58Å; M566-I588 HydrophobicContact SD-CB 4.38Å; M566-I588 HydrophobicContact SD-CD1 3.93Å; M566-L622 HydrophobicContact SD-CD1 4.44Å; M566-F625 HydrophobicContact CB-CE1 4.02Å; M566-F625 HydrophobicContact CB-CE2 4.22Å; M566-F625 HydrophobicContact CB-CZ 3.69Å; M566-F625 HydrophobicContact CE-CD1 3.84Å; M566-F625 HydrophobicContact CE-CE1 3.26Å; M566-F625 HydrophobicContact CE-CZ 4.06Å; M566-F625 HydrophobicContact CG-CD1 3.96Å; M566-F625 HydrophobicContact CG-CE1 3.67Å; M566-F625 HydrophobicContact CG-CE2 4.27Å; M566-F625 HydrophobicContact CG-CG 4.41Å; M566-F625 HydrophobicContact CG-CZ 3.8Å; M566-F625 HydrophobicContact SD-CD1 4.44Å; M566-F625 HydrophobicContact SD-CE1 4.19Å; M566-M626 HydrophobicContact CE-SD 4.03Å
567E94.6Very high88.8Confident39 Ų3975.6 Ų75.618%0.18237%0.365CS..Hα-helixtrans-60.1-43.8179.4-67.987.7157.700111.5R565 L570 H571 V581 S585 R589R565-E567 PolarHBondContact O-N 3.4Å; E567-L570 PolarHBondContact O-N 2.78Å; E567-H571 VanDerWaalsContact O-CB 3.26Å; E567-H571 WeakPolarHBondContact O-CB 3.37Å; E567-H571 PolarHBondContact O-CD2 3.42Å; E567-H571 PolarHBondContact O-N 2.72Å; E567-V581 HydrophobicContact CB-CG1 3.99Å; E567-V581 HydrophobicContact CG-CG1 3.94Å; E567-S585 WeakPolarHBondContact OE1-CB 3.48Å; E567-R589 VanDerWaalsContact CD-NH1 3.26Å; E567-R589 IonicContact OE1-CZ 3.29Å; E567-R589 IonicContact OE1-NH1 2.75Å; E567-R589 PolarHBondContact OE1-NH1 3.03Å; E567-R589 IonicContact OE1-NH2 3.23Å; E567-R589 PolarHBondContact OE1-NH2 3.49Å; E567-R589 IonicContact OE2-CZ 2.7Å; E567-R589 IonicContact OE2-NH1 3.3Å; E567-R589 PolarHBondContact OE2-NH1 3.14Å; E567-R589 IonicContact OE2-NH2 3.34Å
568Q93.6Very high89.6Confident118 Ų11876.9 Ų76.955%0.55137%0.373SS*.Hα-helixtrans-61.2-47.1177.5-177.3-177.6-5.300110.8R565 M566 H571 H572R565-Q568 WeakPolarHBondContact O-CB 3.26Å; R565-Q568 PolarHBondContact O-N 3.4Å; R565-Q568 VanDerWaalsContact O-N 3.12Å; M566-Q568 VanDerWaalsContact C-N 3.31Å; M566-Q568 PolarHBondContact O-N 2.96Å; Q568-H571 PolarHBondContact O-N 2.89Å; Q568-H572 PolarHBondContact O-CE1 3.32Å; Q568-H572 PolarHBondContact O-N 2.65Å; Q568-H572 PolarHBondContact O-ND1 3.04Å
569E91.9Very high90.6Very high90 Ų9082.2 Ų82.242%0.42139%0.392SS..Hα-helixtrans-63-46.7178.2-69.9-57.8144.700112R565 M566 H571 H572 F625R565-E569 HydrophobicContact CB-CG 4.42Å; R565-E569 WeakPolarHBondContact O-CG 3.3Å; R565-E569 PolarHBondContact O-N 3.45Å; M566-E569 PolarHBondContact O-N 3.08Å; E569-H571 VanDerWaalsContact C-N 3.29Å; E569-H571 PolarHBondContact O-N 2.98Å; E569-H572 WeakPolarHBondContact O-CB 3.39Å; E569-H572 PolarHBondContact O-N 2.94Å; E569-H572 PolarHBondContact O-ND1 3.49Å; E569-H572 IonicContact OE2-ND1 3.67Å; E569-F625 HydrophobicContact CB-CD2 3.62Å; E569-F625 HydrophobicContact CB-CE2 3.8Å; E569-F625 HydrophobicContact CG-CD2 4.06Å; E569-F625 HydrophobicContact CG-CE2 3.85Å
570L95.8Very high91.5Very high2 Ų279.2 Ų79.21%0.0138%0.382CS..Hα-helixtrans-61.9-37.5176.6-67.5177.8000111.8M566 E567 H572 R573 V574 V581 L618 A621 L622 F625M566-L570 HydrophobicContact CG-CD1 3.8Å; M566-L570 HydrophobicContact CG-CG 4.15Å; M566-L570 WeakPolarHBondContact O-CB 3.33Å; M566-L570 VanDerWaalsContact O-CG 3.25Å; M566-L570 WeakPolarHBondContact O-CG 3.47Å; M566-L570 PolarHBondContact O-N 3.4Å; M566-L570 HydrophobicContact SD-CD1 4.34Å; E567-L570 PolarHBondContact O-N 2.78Å; L570-H572 PolarHBondContact O-N 3.34Å; L570-R573 PolarHBondContact O-N 3.41Å; L570-R573 VanDerWaalsContact O-N 3.11Å; L570-V574 PolarHBondContact O-N 3.4Å; L570-V581 HydrophobicContact CB-CG1 4.01Å; L570-V581 HydrophobicContact CB-CG2 4.43Å; L570-V581 HydrophobicContact CD1-CG1 4.05Å; L570-L618 HydrophobicContact CD1-CD1 4.26Å; L570-A621 HydrophobicContact CD2-CB 3.77Å; L570-L622 HydrophobicContact CD1-CD1 4.27Å; L570-L622 HydrophobicContact CD2-CB 4.41Å; L570-L622 HydrophobicContact CD2-CD1 4.32Å; L570-F625 HydrophobicContact CD2-CB 4.37Å
571H96.6Very high92.3Very high55 Ų5570.2 Ų70.226%0.25535%0.348SS..Hα-helixtrans-68.6-15.7178.6-83.3-50.6000114.9E567 Q568 E569 R573 V574 N578E567-H571 VanDerWaalsContact O-CB 3.26Å; E567-H571 WeakPolarHBondContact O-CB 3.37Å; E567-H571 PolarHBondContact O-CD2 3.42Å; E567-H571 PolarHBondContact O-N 2.72Å; Q568-H571 PolarHBondContact O-N 2.89Å; E569-H571 VanDerWaalsContact C-N 3.29Å; E569-H571 PolarHBondContact O-N 2.98Å; H571-R573 PolarHBondContact O-N 2.89Å; H571-V574 WeakPolarHBondContact CA-O 3.43Å; H571-V574 PolarHBondContact ND1-O 2.72Å; H571-N578 PolarHBondContact CE1-OD1 3.48Å; H571-N578 PolarHBondContact NE2-OD1 3.35Å
572H93.7Very high93Very high131 Ų13168.5 Ų68.561%0.60634%0.342SS*.THydrogen-bonded Turntrans-63.3-26.1169.7-70.493.6000112.3Q568 E569 L570Q568-H572 PolarHBondContact O-CE1 3.32Å; Q568-H572 PolarHBondContact O-N 2.65Å; Q568-H572 PolarHBondContact O-ND1 3.04Å; E569-H572 WeakPolarHBondContact O-CB 3.39Å; E569-H572 PolarHBondContact O-N 2.94Å; E569-H572 PolarHBondContact O-ND1 3.49Å; E569-H572 IonicContact OE2-ND1 3.67Å; L570-H572 PolarHBondContact O-N 3.34Å
573R92.3Very high93.5Very high91 Ų9169.6 Ų69.634%0.34335%0.354SS..THydrogen-bonded Turntrans-110.5-33.3178.6-67.4-178.563.6168.32.9113.3L570 H571 E617 A621 D630L570-R573 PolarHBondContact O-N 3.41Å; L570-R573 VanDerWaalsContact O-N 3.11Å; H571-R573 PolarHBondContact O-N 2.89Å; R573-E617 IonicContact CZ-OE2 3.04Å; R573-E617 IonicContact NE-OE2 4Å; R573-E617 IonicContact NH2-OE2 2.68Å; R573-E617 PolarHBondContact NH2-OE2 3.07Å; R573-A621 HydrophobicContact CB-CB 4.11Å; R573-D630 IonicContact CZ-OD1 3.88Å; R573-D630 IonicContact CZ-OD2 2.79Å; R573-D630 VanDerWaalsContact CZ-OD2 3.26Å; R573-D630 IonicContact NH1-OD1 3.74Å; R573-D630 PolarHBondContact NH1-OD1 2.92Å; R573-D630 IonicContact NH1-OD2 3.81Å; R573-D630 PolarHBondContact NH1-OD2 2.87Å; R573-D630 IonicContact NH2-OD2 2.65Å; R573-D630 PolarHBondContact NH2-OD2 3.1Å
574V94Very high93.8Very high4 Ų468.8 Ų68.82%0.02435%0.351CS..  trans-109.2103.9-173.6-172.30000110.4L570 H571 Q577 V581 L618 A621L570-V574 PolarHBondContact O-N 3.4Å; H571-V574 WeakPolarHBondContact CA-O 3.43Å; H571-V574 PolarHBondContact ND1-O 2.72Å; V574-Q577 HydrophobicContact CG1-CB 3.69Å; V574-Q577 HydrophobicContact CG1-CG 3.81Å; V574-V581 HydrophobicContact CB-CG2 4.38Å; V574-V581 HydrophobicContact CG1-CG2 4.22Å; V574-L618 HydrophobicContact CG2-CB 4.01Å; V574-L618 HydrophobicContact CG2-CD1 4.04Å; V574-A621 HydrophobicContact CG2-CB 4.27Å
575I92.6Very high94.1Very high149 Ų14963.4 Ų63.476%0.76432%0.322SS*.  trans-94.6129.5-175.6-56.4170000110.2Q577I575-Q577 VanDerWaalsContact C-N 3.32Å; I575-Q577 PolarHBondContact O-N 3.5Å
576G92.7Very high94.2Very high60 Ų6061 Ų6162%0.61932%0.319SS*.SBendtrans79.3-0.2169.600000116.7N578G576-N578 PolarHBondContact O-N 3.12Å
577Q94.6Very high94.1Very high70 Ų7061.2 Ų61.233%0.32732%0.321SS..  trans-97.747-179.6-56.5-64-1700112.7V574 I575 E579 A580 V581 V613V574-Q577 HydrophobicContact CG1-CB 3.69Å; V574-Q577 HydrophobicContact CG1-CG 3.81Å; I575-Q577 VanDerWaalsContact C-N 3.32Å; I575-Q577 PolarHBondContact O-N 3.5Å; Q577-E579 PolarHBondContact O-N 3.48Å; Q577-A580 HydrophobicContact CB-CB 4.38Å; Q577-A580 PolarHBondContact O-N 3.34Å; Q577-V581 WeakPolarHBondContact O-CG2 3.45Å; Q577-V581 PolarHBondContact O-N 2.53Å; Q577-V613 PolarHBondContact NE2-O 2.75Å
578N94.8Very high93.9Very high91 Ų9159.9 Ų59.949%0.48732%0.315SS..Hα-helixtrans-56.3-46.1-170.9-59-9.7000112.5H571 G576 A580 V581 D582H571-N578 PolarHBondContact CE1-OD1 3.48Å; H571-N578 PolarHBondContact NE2-OD1 3.35Å; G576-N578 PolarHBondContact O-N 3.12Å; N578-A580 VanDerWaalsContact C-N 3.32Å; N578-A580 PolarHBondContact O-N 3.03Å; N578-V581 PolarHBondContact O-N 3.06Å; N578-D582 WeakPolarHBondContact O-CB 3.27Å; N578-D582 VanDerWaalsContact O-CG 3.23Å; N578-D582 PolarHBondContact O-N 3.27Å
579E95.6Very high93.7Very high170 Ų17056.9 Ų56.979%0.79430%0.298SS*.Hα-helixtrans-58.8-42.9-179.5-175.6-179.3176.800112.3Q577 A583Q577-E579 PolarHBondContact O-N 3.48Å; E579-A583 WeakPolarHBondContact O-CB 3.27Å; E579-A583 PolarHBondContact O-N 3.44Å
580A94.4Very high93.4Very high21 Ų2159.5 Ų59.517%0.17430%0.304CS..Hα-helixtrans-69-43.9178.800000111.7Q577 N578 A583 V584 F607 L618Q577-A580 HydrophobicContact CB-CB 4.38Å; Q577-A580 PolarHBondContact O-N 3.34Å; N578-A580 VanDerWaalsContact C-N 3.32Å; N578-A580 PolarHBondContact O-N 3.03Å; A580-A583 PolarHBondContact O-N 3.38Å; A580-V584 WeakPolarHBondContact O-CB 3.43Å; A580-V584 VanDerWaalsContact O-CG2 3.27Å; A580-V584 WeakPolarHBondContact O-CG2 3.49Å; A580-V584 PolarHBondContact O-N 3.22Å; A580-F607 HydrophobicContact CB-CD1 4.31Å; A580-F607 HydrophobicContact CB-CE1 3.95Å; A580-L618 HydrophobicContact CB-CD2 3.85Å
581V96Very high92.7Very high0 Ų060.9 Ų60.90%031%0.314CS..Hα-helixtrans-61.7-46.4177.5170.20000110.8E567 L570 V574 Q577 N578 V584 S585 L618E567-V581 HydrophobicContact CB-CG1 3.99Å; E567-V581 HydrophobicContact CG-CG1 3.94Å; L570-V581 HydrophobicContact CB-CG1 4.01Å; L570-V581 HydrophobicContact CB-CG2 4.43Å; L570-V581 HydrophobicContact CD1-CG1 4.05Å; V574-V581 HydrophobicContact CB-CG2 4.38Å; V574-V581 HydrophobicContact CG1-CG2 4.22Å; Q577-V581 WeakPolarHBondContact O-CG2 3.45Å; Q577-V581 PolarHBondContact O-N 2.53Å; N578-V581 PolarHBondContact O-N 3.06Å; V581-V584 PolarHBondContact O-N 3.38Å; V581-S585 VanDerWaalsContact O-CB 3.29Å; V581-S585 WeakPolarHBondContact O-CB 3.31Å; V581-S585 PolarHBondContact O-N 3.33Å; V581-S585 PolarHBondContact O-OG 3Å; V581-L618 HydrophobicContact CG2-CD1 3.92Å
582D96.1Very high92Very high70 Ų7062.8 Ų62.837%0.37432%0.319SS..Hα-helixtrans-63.9-44178.1-72-16.4000111.4N578 V584 S585 N586N578-D582 WeakPolarHBondContact O-CB 3.27Å; N578-D582 VanDerWaalsContact O-CG 3.23Å; N578-D582 PolarHBondContact O-N 3.27Å; D582-V584 PolarHBondContact O-N 3.01Å; D582-S585 PolarHBondContact O-N 3.2Å; D582-N586 VanDerWaalsContact O-CB 3.25Å; D582-N586 WeakPolarHBondContact O-CB 3.45Å; D582-N586 PolarHBondContact O-N 3.16Å; D582-N586 PolarHBondContact O-ND2 3.24Å
583A94.5Very high91.3Very high42 Ų4259.7 Ų59.735%0.34732%0.316SS..Hα-helixtrans-62.1-45.1179.700000111.9E579 A580 A587 F605E579-A583 WeakPolarHBondContact O-CB 3.27Å; E579-A583 PolarHBondContact O-N 3.44Å; A580-A583 PolarHBondContact O-N 3.38Å; A583-A587 PolarHBondContact O-N 3.39Å; A583-A587 VanDerWaalsContact O-N 3.13Å; A583-F605 HydrophobicContact CB-CE1 4.09Å
584V94.6Very high90.4Very high2 Ų258.4 Ų58.41%0.01233%0.331CS..Hα-helixtrans-62.7-50.7175.8169.40000110.7A580 V581 D582 N586 A587 I588 F605 F607 L618 L622A580-V584 WeakPolarHBondContact O-CB 3.43Å; A580-V584 VanDerWaalsContact O-CG2 3.27Å; A580-V584 WeakPolarHBondContact O-CG2 3.49Å; A580-V584 PolarHBondContact O-N 3.22Å; V581-V584 PolarHBondContact O-N 3.38Å; D582-V584 PolarHBondContact O-N 3.01Å; V584-N586 VanDerWaalsContact C-N 3.32Å; V584-N586 PolarHBondContact O-N 3.4Å; V584-A587 PolarHBondContact O-N 3.4Å; V584-A587 VanDerWaalsContact O-N 3.14Å; V584-I588 HydrophobicContact CG1-CD1 4.01Å; V584-I588 PolarHBondContact O-N 2.93Å; V584-F605 HydrophobicContact CB-CZ 4.34Å; V584-F605 HydrophobicContact CG2-CD1 4.36Å; V584-F605 HydrophobicContact CG2-CD2 4.16Å; V584-F605 HydrophobicContact CG2-CE1 4.19Å; V584-F605 HydrophobicContact CG2-CE2 3.98Å; V584-F605 HydrophobicContact CG2-CG 4.33Å; V584-F605 HydrophobicContact CG2-CZ 3.99Å; V584-F607 HydrophobicContact CG2-CE1 4.32Å; V584-F607 HydrophobicContact CG2-CZ 3.8Å; V584-L618 HydrophobicContact CG2-CD2 4.32Å; V584-L622 HydrophobicContact CG1-CD1 3.56Å; V584-L622 HydrophobicContact CG1-CD2 3.55Å; V584-L622 HydrophobicContact CG1-CG 4.15Å
585S94Very high89.8Confident0 Ų064.7 Ų64.70%036%0.364CS..Hα-helixtrans-62-40.5-176.4-55.30000112.2M566 E567 V581 D582 I588 R589M566-S585 WeakPolarHBondContact SD-CA 3.36Å; M566-S585 PolarHBondContact SD-OG 3.26Å; E567-S585 WeakPolarHBondContact OE1-CB 3.48Å; V581-S585 VanDerWaalsContact O-CB 3.29Å; V581-S585 WeakPolarHBondContact O-CB 3.31Å; V581-S585 PolarHBondContact O-N 3.33Å; V581-S585 PolarHBondContact O-OG 3Å; D582-S585 PolarHBondContact O-N 3.2Å; S585-I588 PolarHBondContact O-N 3.45Å; S585-R589 WeakPolarHBondContact O-CB 3.45Å; S585-R589 PolarHBondContact O-N 3.41Å
586N92.5Very high89.1Confident77 Ų7759.6 Ų59.641%0.41234%0.344SS..Hα-helixtrans-67.9-35.3175.7-74.3-39.2000113.4D582 V584 R589 R590D582-N586 VanDerWaalsContact O-CB 3.25Å; D582-N586 WeakPolarHBondContact O-CB 3.45Å; D582-N586 PolarHBondContact O-N 3.16Å; D582-N586 PolarHBondContact O-ND2 3.24Å; V584-N586 VanDerWaalsContact C-N 3.32Å; V584-N586 PolarHBondContact O-N 3.4Å; N586-R589 PolarHBondContact OD1-NH2 3.46Å; N586-R590 WeakPolarHBondContact O-CB 2.99Å; N586-R590 VanDerWaalsContact O-CG 3.26Å; N586-R590 WeakPolarHBondContact O-CG 3.33Å; N586-R590 PolarHBondContact O-N 3.02Å; N586-R590 PolarHBondContact O-NE 2.95Å
587A90.6Very high88.5Confident4 Ų460.5 Ų60.53%0.03334%0.335CS..Hα-helixtrans-67.1-44.1174.900000111.6A583 V584 R590 S591 F605A583-A587 PolarHBondContact O-N 3.39Å; A583-A587 VanDerWaalsContact O-N 3.13Å; V584-A587 PolarHBondContact O-N 3.4Å; V584-A587 VanDerWaalsContact O-N 3.14Å; A587-R590 PolarHBondContact O-N 2.95Å; A587-S591 PolarHBondContact O-N 3.42Å; A587-F605 HydrophobicContact CB-CE1 4.46Å; A587-F605 HydrophobicContact CB-CE2 4.23Å; A587-F605 HydrophobicContact CB-CZ 3.51Å
588I90.1Very high87.4Confident10 Ų1063 Ų635%0.05136%0.357CS..Hα-helixtrans-63.1-47.8178-65.2172.9000110.4L563 M566 V584 S585 R590 S591 R592 I602 L622 M626L563-I588 HydrophobicContact CD2-CG2 3.88Å; M566-I588 HydrophobicContact CE-CB 3.9Å; M566-I588 HydrophobicContact CE-CD1 3.93Å; M566-I588 HydrophobicContact CE-CG2 3.58Å; M566-I588 HydrophobicContact SD-CB 4.38Å; M566-I588 HydrophobicContact SD-CD1 3.93Å; V584-I588 HydrophobicContact CG1-CD1 4.01Å; V584-I588 PolarHBondContact O-N 2.93Å; S585-I588 PolarHBondContact O-N 3.45Å; I588-R590 VanDerWaalsContact C-N 3.34Å; I588-R590 PolarHBondContact O-N 2.96Å; I588-S591 PolarHBondContact O-N 3.15Å; I588-R592 HydrophobicContact CG2-CG 4.12Å; I588-R592 WeakPolarHBondContact O-CB 3.43Å; I588-R592 VanDerWaalsContact O-CG 3.29Å; I588-R592 WeakPolarHBondContact O-CG 3.39Å; I588-R592 PolarHBondContact O-N 3.1Å; I588-I602 HydrophobicContact CG1-CG2 4.09Å; I588-L622 HydrophobicContact CD1-CD1 3.36Å; I588-L622 HydrophobicContact CD1-CD2 4.18Å; I588-L622 HydrophobicContact CD1-CG 4.12Å; I588-M626 HydrophobicContact CD1-CG 4.23Å; I588-M626 HydrophobicContact CD1-SD 4.01Å; I588-M626 HydrophobicContact CG2-CE 3.78Å; I588-M626 HydrophobicContact CG2-SD 3.78Å
589R89.6Confident86.6Confident56 Ų5665.7 Ų65.721%0.21137%0.371CS..Hα-helixtrans-60.4-40.7176.5-77.8-171.2-64.2-101.9-3.5112.8L563 E567 S585 N586 R592 A593L563-R589 HydrophobicContact CB-CG 4.07Å; L563-R589 PolarHBondContact O-NH1 3.21Å; L563-R589 VanDerWaalsContact O-NH1 3.12Å; E567-R589 VanDerWaalsContact CD-NH1 3.26Å; E567-R589 IonicContact OE1-CZ 3.29Å; E567-R589 IonicContact OE1-NH1 2.75Å; E567-R589 PolarHBondContact OE1-NH1 3.03Å; E567-R589 IonicContact OE1-NH2 3.23Å; E567-R589 PolarHBondContact OE1-NH2 3.49Å; E567-R589 IonicContact OE2-CZ 2.7Å; E567-R589 IonicContact OE2-NH1 3.3Å; E567-R589 PolarHBondContact OE2-NH1 3.14Å; E567-R589 IonicContact OE2-NH2 3.34Å; S585-R589 WeakPolarHBondContact O-CB 3.45Å; S585-R589 PolarHBondContact O-N 3.41Å; N586-R589 PolarHBondContact OD1-NH2 3.46Å; R589-R592 PolarHBondContact O-N 2.98Å; R589-A593 VanDerWaalsContact O-CB 3.24Å; R589-A593 WeakPolarHBondContact O-CB 3.37Å; R589-A593 PolarHBondContact O-N 2.79Å
590R86.4Confident85.8Confident145 Ų14566.3 Ų66.355%0.54737%0.367SS..Hα-helixtrans-60.9-44.6175.4-80.2-175.8-65165.6-0.2112N586 A587 I588 A593 G594 L595N586-R590 WeakPolarHBondContact O-CB 2.99Å; N586-R590 VanDerWaalsContact O-CG 3.26Å; N586-R590 WeakPolarHBondContact O-CG 3.33Å; N586-R590 PolarHBondContact O-N 3.02Å; N586-R590 PolarHBondContact O-NE 2.95Å; A587-R590 PolarHBondContact O-N 2.95Å; I588-R590 VanDerWaalsContact C-N 3.34Å; I588-R590 PolarHBondContact O-N 2.96Å; R590-A593 PolarHBondContact O-N 2.97Å; R590-G594 PolarHBondContact O-N 3.1Å; R590-L595 WeakPolarHBondContact O-CB 3.12Å; R590-L595 PolarHBondContact O-N 2.66Å
591S81.9Confident85.1Confident31 Ų3170.2 Ų70.222%0.21739%0.39CS..Hα-helixtrans-63.8-46.3176.7173.60000112A587 I588 A593 G594 I602A587-S591 PolarHBondContact O-N 3.42Å; I588-S591 PolarHBondContact O-N 3.15Å; S591-A593 VanDerWaalsContact C-N 3.27Å; S591-A593 PolarHBondContact O-N 3.43Å; S591-G594 PolarHBondContact O-N 3.13Å; S591-I602 WeakPolarHBondContact OG-CG1 3.48Å
592R80.9Confident84.4Confident94 Ų9474.1 Ų74.136%0.35541%0.41SS..Hα-helixtrans-66.6-27.2178.4-65.7-64.5-173.7-177.5-3.2113.4E559 L563 I588 R589 G594E559-R592 VanDerWaalsContact OE1-CD 3.25Å; E559-R592 WeakPolarHBondContact OE1-CD 3.05Å; E559-R592 IonicContact OE1-CZ 3.66Å; E559-R592 IonicContact OE1-NE 3.54Å; E559-R592 PolarHBondContact OE1-NE 3.03Å; E559-R592 IonicContact OE1-NH1 2.98Å; E559-R592 PolarHBondContact OE1-NH1 2.68Å; L563-R592 HydrophobicContact CD1-CB 3.72Å; L563-R592 HydrophobicContact CD1-CG 3.85Å; I588-R592 HydrophobicContact CG2-CG 4.12Å; I588-R592 WeakPolarHBondContact O-CB 3.43Å; I588-R592 VanDerWaalsContact O-CG 3.29Å; I588-R592 WeakPolarHBondContact O-CG 3.39Å; I588-R592 PolarHBondContact O-N 3.1Å; R589-R592 PolarHBondContact O-N 2.98Å; R592-G594 PolarHBondContact O-N 2.69Å
593A78.5Confident83.9Confident67 Ų6772.3 Ų72.355%0.55441%0.408SS*.THydrogen-bonded Turntrans-78.41171.500000113.7R589 R590 S591 L595R589-A593 VanDerWaalsContact O-CB 3.24Å; R589-A593 WeakPolarHBondContact O-CB 3.37Å; R589-A593 PolarHBondContact O-N 2.79Å; R590-A593 PolarHBondContact O-N 2.97Å; S591-A593 VanDerWaalsContact C-N 3.27Å; S591-A593 PolarHBondContact O-N 3.43Å; A593-L595 VanDerWaalsContact C-N 3.25Å; A593-L595 HydrophobicContact CB-CD1 4.1Å; A593-L595 HydrophobicContact CB-CG 4.07Å; A593-L595 PolarHBondContact O-N 3.23Å
594G74.2Confident83.7Confident63 Ų6375.7 Ų75.765%0.64943%0.429SS*.THydrogen-bonded Turntrans7118.2-177.100000114.1R590 S591 R592R590-G594 PolarHBondContact O-N 3.1Å; S591-G594 PolarHBondContact O-N 3.13Å; R592-G594 PolarHBondContact O-N 2.69Å
595L80.9Confident83.7Confident137 Ų13779.6 Ų79.672%0.71745%0.446SS*.  trans-94.84.6-179.5-59.4175.1000112.9R590 A593R590-L595 WeakPolarHBondContact O-CB 3.12Å; R590-L595 PolarHBondContact O-N 2.66Å; A593-L595 VanDerWaalsContact C-N 3.25Å; A593-L595 HydrophobicContact CB-CD1 4.1Å; A593-L595 HydrophobicContact CB-CG 4.07Å; A593-L595 PolarHBondContact O-N 3.23Å
596A78.5Confident83.6Confident42 Ų4284.9 Ų84.935%0.34747%0.474SS..SBendtrans-100.6157.417600000111.4
597D79.9Confident83.6Confident78 Ų7883.9 Ų83.942%0.41747%0.466SS..  trans-71.5120.8172.8-178.4-10.8000109.5N599 R600D597-N599 PolarHBondContact O-N 3.19Å; D597-N599 PolarHBondContact OD1-N 2.9Å; D597-R600 HydrophobicContact CB-CB 4.17Å; D597-R600 HydrophobicContact CB-CG 4.15Å; D597-R600 PolarHBondContact O-N 3.41Å; D597-R600 VanDerWaalsContact O-N 3.11Å; D597-R600 IonicContact OD2-NE 3.9Å
598P72Confident83.6Confident123 Ų12390.8 Ų90.880%0.79950%0.502SS*.THydrogen-bonded Turntrans-64.6-18.9-178.426.6-35000113.4R600P598-R600 VanDerWaalsContact C-N 3.31Å
599N76.9Confident83.7Confident147 Ų14792.2 Ų92.279%0.78652%0.519SS*.THydrogen-bonded Turntrans-90.69.4177.5-62.5-50.1000113.1D597D597-N599 PolarHBondContact O-N 3.19Å; D597-N599 PolarHBondContact OD1-N 2.9Å
600R79.9Confident83.8Confident184 Ų18494 Ų9469%0.69454%0.538SS*.SBendtrans-127.9156.2-178.7-70.2-174.5168.4-161.1-3.5111.8D597 P598D597-R600 HydrophobicContact CB-CB 4.17Å; D597-R600 HydrophobicContact CB-CG 4.15Å; D597-R600 PolarHBondContact O-N 3.41Å; D597-R600 VanDerWaalsContact O-N 3.11Å; D597-R600 IonicContact OD2-NE 3.9Å; P598-R600 VanDerWaalsContact C-N 3.31Å
601P79.2Confident83.8Confident102 Ų10293.9 Ų93.966%0.66255%0.553SS**  trans-56.6145.6172.9-23.633.5000112.1G603P601-G603 PolarHBondContact O-N 2.92Å; P601-G603 VanDerWaalsContact O-N 3.15Å
602I81.3Confident84.2Confident82 Ų8296.6 Ų96.642%0.42159%0.586SS.*SBendtrans-50-40.2175.9-65.3-178.4000111.5I588 S591I588-I602 HydrophobicContact CG1-CG2 4.09Å; S591-I602 WeakPolarHBondContact OG-CG1 3.48Å
603G86.7Confident84.7Confident32 Ų3294.6 Ų94.633%0.3358%0.584SS.*  trans-163.7144.9169.800000109.6P601P601-G603 PolarHBondContact O-N 2.92Å; P601-G603 VanDerWaalsContact O-N 3.15Å
604S89.3Confident85.4Confident114 Ų11492.3 Ų92.380%0.79757%0.567SS**  trans-121.3124.7170.4-179.20000107.3
605F93.5Very high86.2Confident83 Ų8392.5 Ų92.536%0.36455%0.55SS.*  trans-129.3134.6-171.7-60-82.7000110.1A583 V584 A587 F607A583-F605 HydrophobicContact CB-CE1 4.09Å; V584-F605 HydrophobicContact CB-CZ 4.34Å; V584-F605 HydrophobicContact CG2-CD1 4.36Å; V584-F605 HydrophobicContact CG2-CD2 4.16Å; V584-F605 HydrophobicContact CG2-CE1 4.19Å; V584-F605 HydrophobicContact CG2-CE2 3.98Å; V584-F605 HydrophobicContact CG2-CG 4.33Å; V584-F605 HydrophobicContact CG2-CZ 3.99Å; A587-F605 HydrophobicContact CB-CE1 4.46Å; A587-F605 HydrophobicContact CB-CE2 4.23Å; A587-F605 HydrophobicContact CB-CZ 3.51Å; F605-F607 HydrophobicContact CB-CE1 4.02Å; F605-F607 HydrophobicContact CB-CE2 4.28Å; F605-F607 HydrophobicContact CB-CZ 3.86Å; F605-F607 HydrophobicContact CG-CZ 4.3Å
606L92.6Very high86.7Confident112 Ų11287.7 Ų87.759%0.58653%0.527SS*.  trans-108.4100.7170.7-178.864.7000108.8L608 V683L606-L608 HydrophobicContact CD2-CD2 4.18Å; L606-L608 HydrophobicContact CG-CD2 4.12Å; L606-L608 HydrophobicContact CG-CG 4.37Å; L606-L608 PolarHBondContact O-N 3.06Å; L606-V683 HydrophobicContact CD1-CG1 3.61Å
607F93Very high87.5Confident55 Ų5588.9 Ų88.924%0.24153%0.525CS..  trans-82106.2179.3-63.1-51.7000111.6A580 V584 F605 K615 L618A580-F607 HydrophobicContact CB-CD1 4.31Å; A580-F607 HydrophobicContact CB-CE1 3.95Å; V584-F607 HydrophobicContact CG2-CE1 4.32Å; V584-F607 HydrophobicContact CG2-CZ 3.8Å; F605-F607 HydrophobicContact CB-CE1 4.02Å; F605-F607 HydrophobicContact CB-CE2 4.28Å; F605-F607 HydrophobicContact CB-CZ 3.86Å; F605-F607 HydrophobicContact CG-CZ 4.3Å; F607-K615 HydrophobicContact CB-CB 4.34Å; F607-K615 HydrophobicContact CB-CD 3.94Å; F607-K615 HydrophobicContact CB-CG 4.01Å; F607-K615 WeakPolarHBondContact O-CD 3.44Å; F607-K615 VanDerWaalsContact O-CE 3.28Å; F607-K615 WeakPolarHBondContact O-CE 3.47Å; F607-K615 PolarHBondContact O-NZ 2.74Å; F607-L618 HydrophobicContact CE1-CD2 3.9Å; F607-L618 HydrophobicContact CE2-CD2 4.15Å; F607-L618 HydrophobicContact CZ-CD2 3.58Å; F607-L618 HydrophobicContact CZ-CG 4.47Å
608L91.3Very high88.2Confident150 Ų15085.4 Ų85.479%0.78551%0.506SS*.  trans-90.9141176.3-60.9173.1000110.9L606L606-L608 HydrophobicContact CD2-CD2 4.18Å; L606-L608 HydrophobicContact CG-CD2 4.12Å; L606-L608 HydrophobicContact CG-CG 4.37Å; L606-L608 PolarHBondContact O-N 3.06Å
609G90.6Very high89.3Confident40 Ų4080 Ų8041%0.41247%0.471SS..SBendtrans149.1165.4179.700000113.3K615G609-K615 WeakPolarHBondContact O-CE 3.43Å; G609-K615 PolarHBondContact O-NZ 2.88Å
610P91.7Very high90.1Very high94 Ų9475.9 Ų75.961%0.6145%0.446SS*.  trans-66.5166.6177.524.3-28.7000112.3V613P610-V613 HydrophobicContact CG-CG1 3.64Å; P610-V613 WeakPolarHBondContact O-CG1 3.43Å; P610-V613 VanDerWaalsContact O-CG2 3.27Å; P610-V613 WeakPolarHBondContact O-CG2 3.43Å
611T87.9Confident90.7Very high142 Ų14267.4 Ų67.487%0.87142%0.415SS*.THydrogen-bonded Turntrans-62.4145.1174.950.90000111.2
612G88.8Confident91.4Very high88 Ų8863.5 Ų63.591%0.90739%0.389SS*.THydrogen-bonded Turntrans83.61.1175.400000115.9G614G612-G614 PolarHBondContact O-N 3.04Å
613V92.3Very high91.8Very high51 Ų5159.6 Ų59.631%0.30937%0.369SS..SBendtrans-76.4-3177.1-59.30000114.7Q577 P610 K615Q577-V613 PolarHBondContact NE2-O 2.75Å; P610-V613 HydrophobicContact CG-CG1 3.64Å; P610-V613 WeakPolarHBondContact O-CG1 3.43Å; P610-V613 VanDerWaalsContact O-CG2 3.27Å; P610-V613 WeakPolarHBondContact O-CG2 3.43Å; V613-K615 HydrophobicContact CG2-CG 3.87Å
614G92.2Very high91.9Very high20 Ų2060.5 Ų60.521%0.20637%0.366CS..SBendtrans103.114.617600000116.2G612 T616 E617 L618G612-G614 PolarHBondContact O-N 3.04Å; G614-T616 PolarHBondContact O-N 3.44Å; G614-E617 PolarHBondContact O-N 3.49Å; G614-L618 PolarHBondContact O-N 2.98Å
615K92.8Very high92Very high67 Ų6756 Ų5629%0.29133%0.332SS..Hα-helixtrans-55.7-52.8178.6-53.8-178.1-171.8-176.60112.5F607 G609 V613 E617 L618 C619F607-K615 HydrophobicContact CB-CB 4.34Å; F607-K615 HydrophobicContact CB-CD 3.94Å; F607-K615 HydrophobicContact CB-CG 4.01Å; F607-K615 WeakPolarHBondContact O-CD 3.44Å; F607-K615 VanDerWaalsContact O-CE 3.28Å; F607-K615 WeakPolarHBondContact O-CE 3.47Å; F607-K615 PolarHBondContact O-NZ 2.74Å; G609-K615 WeakPolarHBondContact O-CE 3.43Å; G609-K615 PolarHBondContact O-NZ 2.88Å; V613-K615 HydrophobicContact CG2-CG 3.87Å; K615-E617 VanDerWaalsContact C-N 3.33Å; K615-E617 PolarHBondContact O-N 3.36Å; K615-L618 PolarHBondContact O-N 3.33Å; K615-C619 PolarHBondContact O-N 2.98Å
616T91.3Very high91.6Very high36 Ų3652.5 Ų52.522%0.22132%0.317CS..Hα-helixtrans-66.1-36.5177.4-43.60000111.7G614 L618 C619 K620 L679G614-T616 PolarHBondContact O-N 3.44Å; T616-L618 VanDerWaalsContact C-N 3.35Å; T616-C619 PolarHBondContact O-N 2.86Å; T616-K620 WeakPolarHBondContact O-CG 3.31Å; T616-K620 PolarHBondContact O-N 3.33Å; T616-L679 HydrophobicContact CG2-CD2 3.85Å
617E94.3Very high91.1Very high67 Ų6748.9 Ų48.931%0.31330%0.297SS..Hα-helixtrans-67.5-34.3177.6-74.5-54.1129.200112.3R573 G614 K615 K620 A621R573-E617 IonicContact CZ-OE2 3.04Å; R573-E617 IonicContact NE-OE2 4Å; R573-E617 IonicContact NH2-OE2 2.68Å; R573-E617 PolarHBondContact NH2-OE2 3.07Å; G614-E617 PolarHBondContact O-N 3.49Å; K615-E617 VanDerWaalsContact C-N 3.33Å; K615-E617 PolarHBondContact O-N 3.36Å; E617-K620 PolarHBondContact O-N 3.08Å; E617-K620 IonicContact OE1-NZ 3.82Å; E617-K620 PolarHBondContact OE1-NZ 3.18Å; E617-A621 WeakPolarHBondContact O-CB 3.44Å; E617-A621 PolarHBondContact O-N 2.96Å
618L95Very high90.5Very high5 Ų547.5 Ų47.53%0.02629%0.292CS..Hα-helixtrans-63-43.6171.7179.359.2000111.5L570 V574 A580 V581 V584 F607 G614 K615 T616 A621 L622L570-L618 HydrophobicContact CD1-CD1 4.26Å; V574-L618 HydrophobicContact CG2-CB 4.01Å; V574-L618 HydrophobicContact CG2-CD1 4.04Å; A580-L618 HydrophobicContact CB-CD2 3.85Å; V581-L618 HydrophobicContact CG2-CD1 3.92Å; V584-L618 HydrophobicContact CG2-CD2 4.32Å; F607-L618 HydrophobicContact CE1-CD2 3.9Å; F607-L618 HydrophobicContact CE2-CD2 4.15Å; F607-L618 HydrophobicContact CZ-CD2 3.58Å; F607-L618 HydrophobicContact CZ-CG 4.47Å; G614-L618 PolarHBondContact O-N 2.98Å; K615-L618 PolarHBondContact O-N 3.33Å; T616-L618 VanDerWaalsContact C-N 3.35Å; L618-A621 PolarHBondContact O-N 3.01Å; L618-L622 WeakPolarHBondContact O-CB 3.34Å; L618-L622 PolarHBondContact O-N 3.46Å
619C94Very high90.1Very high9 Ų942.3 Ų42.36%0.06127%0.268CS..Hα-helixtrans-63.5-42.3176.4-64.80000112.4K615 T616 L622 A623 M633 V677 L679K615-C619 PolarHBondContact O-N 2.98Å; T616-C619 PolarHBondContact O-N 2.86Å; C619-L622 PolarHBondContact O-N 3.5Å; C619-A623 WeakPolarHBondContact O-CB 3.43Å; C619-A623 PolarHBondContact O-N 3.35Å; C619-M633 HydrophobicContact CB-SD 3.58Å; C619-M633 VanDerWaalsContact CB-SD 3.58Å; C619-V677 HydrophobicContact CB-CG1 4.17Å; C619-L679 HydrophobicContact CB-CD2 4.29Å
620K93.7Very high89.8Confident61 Ų6142.9 Ų42.927%0.26526%0.262SS..Hα-helixtrans-65.3-45.5175.2-70.6179-170.4166.30112.3T616 E617 L622 A623 N624 M633T616-K620 WeakPolarHBondContact O-CG 3.31Å; T616-K620 PolarHBondContact O-N 3.33Å; E617-K620 PolarHBondContact O-N 3.08Å; E617-K620 IonicContact OE1-NZ 3.82Å; E617-K620 PolarHBondContact OE1-NZ 3.18Å; K620-L622 PolarHBondContact O-N 3.45Å; K620-A623 PolarHBondContact O-N 3.1Å; K620-N624 WeakPolarHBondContact O-CB 3.41Å; K620-N624 PolarHBondContact O-N 2.9Å; K620-M633 HydrophobicContact CG-CE 3.86Å; K620-M633 HydrophobicContact CG-SD 4.45Å
621A93.4Very high89.4Confident5 Ų544.9 Ų44.94%0.04126%0.263CS..Hα-helixtrans-60.6-39.3176.800000110.9L570 R573 V574 E617 L618 F625L570-A621 HydrophobicContact CD2-CB 3.77Å; R573-A621 HydrophobicContact CB-CB 4.11Å; V574-A621 HydrophobicContact CG2-CB 4.27Å; E617-A621 WeakPolarHBondContact O-CB 3.44Å; E617-A621 PolarHBondContact O-N 2.96Å; L618-A621 PolarHBondContact O-N 3.01Å; A621-F625 VanDerWaalsContact O-CB 3.26Å; A621-F625 WeakPolarHBondContact O-CB 3.37Å; A621-F625 PolarHBondContact O-N 3.31Å
622L93.5Very high89.2Confident20 Ų2038.5 Ų38.511%0.10523%0.225CC..Hα-helixtrans-66.3-45.2175.2-169.164.3000112.7M566 L570 V584 I588 L618 C619 K620 N624 F625 M626 V677M566-L622 HydrophobicContact SD-CD1 4.44Å; L570-L622 HydrophobicContact CD1-CD1 4.27Å; L570-L622 HydrophobicContact CD2-CB 4.41Å; L570-L622 HydrophobicContact CD2-CD1 4.32Å; V584-L622 HydrophobicContact CG1-CD1 3.56Å; V584-L622 HydrophobicContact CG1-CD2 3.55Å; V584-L622 HydrophobicContact CG1-CG 4.15Å; I588-L622 HydrophobicContact CD1-CD1 3.36Å; I588-L622 HydrophobicContact CD1-CD2 4.18Å; I588-L622 HydrophobicContact CD1-CG 4.12Å; L618-L622 WeakPolarHBondContact O-CB 3.34Å; L618-L622 PolarHBondContact O-N 3.46Å; C619-L622 PolarHBondContact O-N 3.5Å; K620-L622 PolarHBondContact O-N 3.45Å; L622-N624 VanDerWaalsContact C-N 3.33Å; L622-F625 PolarHBondContact O-N 3.13Å; L622-M626 HydrophobicContact CD1-CG 4.23Å; L622-M626 HydrophobicContact CG-CG 4.37Å; L622-M626 VanDerWaalsContact O-CB 3.3Å; L622-M626 WeakPolarHBondContact O-CB 3.14Å; L622-M626 VanDerWaalsContact O-CG 3.27Å; L622-M626 WeakPolarHBondContact O-CG 3.22Å; L622-M626 PolarHBondContact O-N 2.88Å; L622-V677 HydrophobicContact CB-CG2 4.4Å; L622-V677 HydrophobicContact CD2-CG2 4.15Å; L622-V677 HydrophobicContact CG-CG2 4.2Å
623A90.3Very high89.2Confident0 Ų035.8 Ų35.80%019%0.189CC..Hα-helixtrans-59.4-46.117600000110.9C619 K620 M626 F627 S629 A632 M633 V677C619-A623 WeakPolarHBondContact O-CB 3.43Å; C619-A623 PolarHBondContact O-N 3.35Å; K620-A623 PolarHBondContact O-N 3.1Å; A623-M626 PolarHBondContact O-N 2.83Å; A623-F627 WeakPolarHBondContact O-CA 3.02Å; A623-F627 WeakPolarHBondContact O-CB 3.31Å; A623-F627 PolarHBondContact O-N 3.41Å; A623-S629 CarbonylContact C-O 3.52Å; A623-S629 VanDerWaalsContact C-O 3.24Å; A623-A632 HydrophobicContact CB-CB 4.28Å; A623-A632 WeakPolarHBondContact CB-O 3.36Å; A623-M633 HydrophobicContact CB-CB 4.19Å; A623-V677 HydrophobicContact CB-CB 4.3Å; A623-V677 HydrophobicContact CB-CG2 3.9Å
624N89.4Confident89Confident52 Ų5234 Ų3428%0.27818%0.178SC..Hα-helixtrans-61.1-47.2175.4-163.4-80.8000112.1K620 L622 M626 D628 S629 D630K620-N624 WeakPolarHBondContact O-CB 3.41Å; K620-N624 PolarHBondContact O-N 2.9Å; L622-N624 VanDerWaalsContact C-N 3.33Å; N624-M626 PolarHBondContact O-N 3.38Å; N624-D628 WeakPolarHBondContact O-CA 3.38Å; N624-D628 PolarHBondContact O-N 3.18Å; N624-S629 PolarHBondContact N-O 3.04Å; N624-D630 VanDerWaalsContact CB-OD1 3.31Å; N624-D630 WeakPolarHBondContact CB-OD1 3.5Å; N624-D630 PolarHBondContact ND2-OD1 3.43Å
625F89.9Confident89Confident19 Ų1939.4 Ų39.48%0.08319%0.192CC..Hα-helixtrans-62.9-43.9-179.8178-87.3000111.8K562 L563 M566 E569 L570 A621 L622K562-F625 WeakPolarHBondContact CE-O 3.22Å; K562-F625 HydrophobicContact CG-CE1 4.23Å; K562-F625 HydrophobicContact CG-CE2 4.13Å; K562-F625 HydrophobicContact CG-CZ 3.68Å; K562-F625 PolarHBondContact NZ-O 2.93Å; K562-F625 VanDerWaalsContact O-CZ 3.27Å; K562-F625 WeakPolarHBondContact O-CZ 3.37Å; L563-F625 HydrophobicContact CD2-CE1 4.37Å; M566-F625 HydrophobicContact CB-CE1 4.02Å; M566-F625 HydrophobicContact CB-CE2 4.22Å; M566-F625 HydrophobicContact CB-CZ 3.69Å; M566-F625 HydrophobicContact CE-CD1 3.84Å; M566-F625 HydrophobicContact CE-CE1 3.26Å; M566-F625 HydrophobicContact CE-CZ 4.06Å; M566-F625 HydrophobicContact CG-CD1 3.96Å; M566-F625 HydrophobicContact CG-CE1 3.67Å; M566-F625 HydrophobicContact CG-CE2 4.27Å; M566-F625 HydrophobicContact CG-CG 4.41Å; M566-F625 HydrophobicContact CG-CZ 3.8Å; M566-F625 HydrophobicContact SD-CD1 4.44Å; M566-F625 HydrophobicContact SD-CE1 4.19Å; E569-F625 HydrophobicContact CB-CD2 3.62Å; E569-F625 HydrophobicContact CB-CE2 3.8Å; E569-F625 HydrophobicContact CG-CD2 4.06Å; E569-F625 HydrophobicContact CG-CE2 3.85Å; L570-F625 HydrophobicContact CD2-CB 4.37Å; A621-F625 VanDerWaalsContact O-CB 3.26Å; A621-F625 WeakPolarHBondContact O-CB 3.37Å; A621-F625 PolarHBondContact O-N 3.31Å; L622-F625 PolarHBondContact O-N 3.13Å
626M85.7Confident88.9Confident10 Ų1036.4 Ų36.45%0.04918%0.179CC..Hα-helixtrans-78.8-38.3-174.4-71.1-64.8-67.900113.3R383 M566 I588 L622 A623 N624R383-M626 PolarHBondContact NH2-O 3.48Å; M566-M626 HydrophobicContact CE-SD 4.03Å; I588-M626 HydrophobicContact CD1-CG 4.23Å; I588-M626 HydrophobicContact CD1-SD 4.01Å; I588-M626 HydrophobicContact CG2-CE 3.78Å; I588-M626 HydrophobicContact CG2-SD 3.78Å; L622-M626 HydrophobicContact CD1-CG 4.23Å; L622-M626 HydrophobicContact CG-CG 4.37Å; L622-M626 VanDerWaalsContact O-CB 3.3Å; L622-M626 WeakPolarHBondContact O-CB 3.14Å; L622-M626 VanDerWaalsContact O-CG 3.27Å; L622-M626 WeakPolarHBondContact O-CG 3.22Å; L622-M626 PolarHBondContact O-N 2.88Å; A623-M626 PolarHBondContact O-N 2.83Å; N624-M626 PolarHBondContact O-N 3.38Å
627F82.4Confident88.9Confident35 Ų3537.3 Ų37.315%0.15418%0.183CC..Hα-helixtrans-130.810.9-165.3-48.5-59.2000113.2A623 S629 A632 Y675 V677A623-F627 WeakPolarHBondContact O-CA 3.02Å; A623-F627 WeakPolarHBondContact O-CB 3.31Å; A623-F627 PolarHBondContact O-N 3.41Å; F627-S629 PolarHBondContact O-N 3.43Å; F627-A632 HydrophobicContact CB-CB 3.48Å; F627-A632 VanDerWaalsContact CB-CB 3.48Å; F627-A632 HydrophobicContact CD2-CB 3.85Å; F627-A632 HydrophobicContact CG-CB 4.05Å; F627-Y675 WeakPolarHBondContact CD2-O 3.37Å; F627-Y675 HydrophobicContact CE1-CD1 4.16Å; F627-Y675 HydrophobicContact CE1-CG 4.31Å; F627-Y675 WeakPolarHBondContact CG-O 3.46Å; F627-V677 HydrophobicContact CE2-CG2 4.11Å
628D79.4Confident88.9Confident26 Ų2634.1 Ų34.114%0.13917%0.168CC..SBendtrans62.714.2174.2-66-72.3000115.1I550 R554 K562 N624I550-D628 HydrophobicContact CD1-CB 4.36Å; I550-D628 HydrophobicContact CG2-CB 4.47Å; R554-D628 WeakPolarHBondContact CD-OD1 3.23Å; R554-D628 IonicContact CZ-OD1 2.82Å; R554-D628 IonicContact NE-OD1 2.69Å; R554-D628 IonicContact NH1-OD1 3.64Å; R554-D628 PolarHBondContact NH1-OD1 3.11Å; K562-D628 IonicContact NZ-OD1 2.66Å; K562-D628 IonicContact NZ-OD2 3.84Å; N624-D628 WeakPolarHBondContact O-CA 3.38Å; N624-D628 PolarHBondContact O-N 3.18Å
629S83Confident88.6Confident41 Ų4135.6 Ų35.629%0.28718%0.178SC..  trans-146.5134.3177.6179.80000113.1A623 N624 F627 E631 A632A623-S629 CarbonylContact C-O 3.52Å; A623-S629 VanDerWaalsContact C-O 3.24Å; N624-S629 PolarHBondContact N-O 3.04Å; F627-S629 PolarHBondContact O-N 3.43Å; S629-E631 PolarHBondContact O-N 3.3Å; S629-E631 WeakPolarHBondContact OG-CB 3.33Å; S629-E631 PolarHBondContact OG-N 3.49Å; S629-E631 VanDerWaalsContact OG-N 3.1Å; S629-A632 VanDerWaalsContact O-CB 3.27Å; S629-A632 WeakPolarHBondContact O-CB 3.42Å; S629-A632 PolarHBondContact O-N 2.93Å; S629-A632 VanDerWaalsContact O-N 3.1Å
630D86Confident88.3Confident52 Ų5240.9 Ų40.928%0.27820%0.202SC..THydrogen-bonded Turntrans-63.1-26169.6-80.537.8000111.8R573 N624 A632R573-D630 IonicContact CZ-OD1 3.88Å; R573-D630 IonicContact CZ-OD2 2.79Å; R573-D630 VanDerWaalsContact CZ-OD2 3.26Å; R573-D630 IonicContact NH1-OD1 3.74Å; R573-D630 PolarHBondContact NH1-OD1 2.92Å; R573-D630 IonicContact NH1-OD2 3.81Å; R573-D630 PolarHBondContact NH1-OD2 2.87Å; R573-D630 IonicContact NH2-OD2 2.65Å; R573-D630 PolarHBondContact NH2-OD2 3.1Å; N624-D630 VanDerWaalsContact CB-OD1 3.31Å; N624-D630 WeakPolarHBondContact CB-OD1 3.5Å; N624-D630 PolarHBondContact ND2-OD1 3.43Å; D630-A632 VanDerWaalsContact C-N 3.26Å
631E83.3Confident88.2Confident137 Ų13738.2 Ų38.264%0.6419%0.191SC*.THydrogen-bonded Turntrans-81-5.6177-56.3-174.9173.800112.6S629 M633 R673S629-E631 PolarHBondContact O-N 3.3Å; S629-E631 WeakPolarHBondContact OG-CB 3.33Å; S629-E631 PolarHBondContact OG-N 3.49Å; S629-E631 VanDerWaalsContact OG-N 3.1Å; E631-M633 PolarHBondContact O-N 3.32Å; E631-R673 PolarHBondContact O-NH1 3.35Å
632A83.1Confident88Confident8 Ų843.4 Ų43.47%0.06622%0.215CC..SBendtrans-74.642.4169.900000111.3A623 F627 S629 D630 S676 V677A623-A632 HydrophobicContact CB-CB 4.28Å; A623-A632 WeakPolarHBondContact CB-O 3.36Å; F627-A632 HydrophobicContact CB-CB 3.48Å; F627-A632 VanDerWaalsContact CB-CB 3.48Å; F627-A632 HydrophobicContact CD2-CB 3.85Å; F627-A632 HydrophobicContact CG-CB 4.05Å; S629-A632 VanDerWaalsContact O-CB 3.27Å; S629-A632 WeakPolarHBondContact O-CB 3.42Å; S629-A632 PolarHBondContact O-N 2.93Å; S629-A632 VanDerWaalsContact O-N 3.1Å; D630-A632 VanDerWaalsContact C-N 3.26Å; A632-S676 CarbonylContact O-C 3.51Å; A632-S676 VanDerWaalsContact O-CA 3.3Å; A632-S676 WeakPolarHBondContact O-CA 3.45Å; A632-V677 PolarHBondContact O-N 3.2Å
633M88Confident87.8Confident31 Ų3148.1 Ų48.115%0.15324%0.237CC..EExtended strand (participates in β ladder)trans-134.9126.4178.6-178.1-179.660.600109.1C619 K620 A623 E631 R635 V677 L679C619-M633 HydrophobicContact CB-SD 3.58Å; C619-M633 VanDerWaalsContact CB-SD 3.58Å; K620-M633 HydrophobicContact CG-CE 3.86Å; K620-M633 HydrophobicContact CG-SD 4.45Å; A623-M633 HydrophobicContact CB-CB 4.19Å; E631-M633 PolarHBondContact O-N 3.32Å; M633-R635 HydrophobicContact CE-CB 4.25Å; M633-R635 PolarHBondContact O-N 3.47Å; M633-V677 CarbonylContact C-O 3.59Å; M633-V677 WeakPolarHBondContact CA-O 3.21Å; M633-V677 HydrophobicContact CB-CB 4.47Å; M633-V677 HydrophobicContact CG-CB 4.32Å; M633-V677 VanDerWaalsContact CG-O 3.28Å; M633-V677 WeakPolarHBondContact CG-O 3.2Å; M633-L679 HydrophobicContact CE-CD2 4.29Å; M633-L679 HydrophobicContact CG-CB 4.12Å; M633-L679 HydrophobicContact SD-CB 3.8Å; M633-L679 HydrophobicContact SD-CD2 3.72Å; M633-L679 HydrophobicContact SD-CG 4.42Å
634V89.3Confident87.5Confident14 Ų1454.8 Ų54.89%0.08527%0.266CS..EExtended strand (participates in β ladder)trans-90.8100.3168.6178.50000107I636 L666 A669 V677 L679V634-I636 HydrophobicContact CG1-CD1 4.17Å; V634-I636 HydrophobicContact CG1-CG1 4.01Å; V634-L666 HydrophobicContact CG1-CD1 4.44Å; V634-A669 HydrophobicContact CG1-CB 3.66Å; V634-A669 HydrophobicContact CG2-CB 4.02Å; V634-V677 PolarHBondContact N-O 2.86Å; V634-L679 PolarHBondContact O-N 3.4Å
635R91.2Very high87.2Confident133 Ų13357.3 Ų57.350%0.50228%0.276SS..EExtended strand (participates in β ladder)trans-92.5126.9175.7-176.1177.8179.3-155.9-1.9109.4M633 L679 D681M633-R635 HydrophobicContact CE-CB 4.25Å; M633-R635 PolarHBondContact O-N 3.47Å; R635-L679 WeakPolarHBondContact CA-O 3.42Å; R635-L679 HydrophobicContact CG-CD2 4.13Å; R635-L679 HydrophobicContact CG-CG 4.38Å; R635-D681 HydrophobicContact CG-CB 4.5Å; R635-D681 IonicContact CZ-OD2 3.77Å; R635-D681 IonicContact NE-OD2 2.89Å; R635-D681 PolarHBondContact NE-OD2 2.85Å; R635-D681 IonicContact NH2-OD2 3.73Å; R635-D681 PolarHBondContact NH2-OD2 3.41Å
636I91.5Very high86.8Confident3 Ų356.6 Ų56.62%0.01527%0.273CS..EExtended strand (participates in β ladder)trans-124.8121.1176.3-47.4-175.1000107.7V634 M638 F641 L650 Y665 L666 L679 L680 D681V634-I636 HydrophobicContact CG1-CD1 4.17Å; V634-I636 HydrophobicContact CG1-CG1 4.01Å; I636-M638 HydrophobicContact CB-CE 3.57Å; I636-M638 HydrophobicContact CG2-CE 3.22Å; I636-M638 PolarHBondContact O-N 3.29Å; I636-F641 HydrophobicContact CG2-CD2 4.06Å; I636-F641 HydrophobicContact CG2-CE2 3.37Å; I636-F641 HydrophobicContact CG2-CZ 4.09Å; I636-L650 HydrophobicContact CD1-CD1 3.76Å; I636-L650 HydrophobicContact CG2-CD1 3.82Å; I636-Y665 HydrophobicContact CD1-CD1 4.23Å; I636-Y665 HydrophobicContact CG1-CD1 4.32Å; I636-Y665 HydrophobicContact CG1-CE1 4.27Å; I636-Y665 HydrophobicContact CG2-CD1 4.37Å; I636-L666 HydrophobicContact CD1-CB 3.74Å; I636-L666 HydrophobicContact CD1-CD1 3.54Å; I636-L666 HydrophobicContact CD1-CG 4.15Å; I636-L679 PolarHBondContact N-O 3.02Å; I636-L680 HydrophobicContact CB-CD2 4.22Å; I636-L680 HydrophobicContact CD1-CD2 4.37Å; I636-D681 PolarHBondContact O-N 3.18Å
637D91.4Very high86.7Confident56 Ų5657 Ų5730%0.29928%0.277SS..EExtended strand (participates in β ladder)trans-78.8115.5175.4-171.4-22.1000109.3S639 E640 F641D637-S639 PolarHBondContact O-N 3.33Å; D637-S639 WeakPolarHBondContact OD1-CB 3.27Å; D637-S639 PolarHBondContact OD1-N 2.83Å; D637-S639 PolarHBondContact OD1-OG 3.16Å; D637-S639 VanDerWaalsContact OD1-OG 3.13Å; D637-E640 PolarHBondContact O-N 2.83Å; D637-F641 WeakPolarHBondContact O-CD2 3.45Å
638M92.8Very high86.6Confident0 Ų058 Ų580%029%0.288CS..G310 helixtrans-72.8-12-177.9-64-6898.500113.3I636 E640 F641 L680 D681 V683 A686 V690I636-M638 HydrophobicContact CB-CE 3.57Å; I636-M638 HydrophobicContact CG2-CE 3.22Å; I636-M638 PolarHBondContact O-N 3.29Å; M638-E640 PolarHBondContact O-N 3.35Å; M638-F641 HydrophobicContact CE-CD2 3.83Å; M638-F641 HydrophobicContact CE-CE2 4.28Å; M638-F641 CarbonylContact O-C 3.55Å; M638-F641 PolarHBondContact O-N 3.45Å; M638-L680 HydrophobicContact CE-CB 4.39Å; M638-L680 HydrophobicContact CE-CD2 3.69Å; M638-L680 HydrophobicContact CG-CB 3.99Å; M638-L680 HydrophobicContact SD-CB 4.1Å; M638-L680 HydrophobicContact SD-CD2 4.07Å; M638-L680 HydrophobicContact SD-CG 4.45Å; M638-D681 WeakPolarHBondContact CB-O 3.46Å; M638-D681 WeakPolarHBondContact CG-O 3.31Å; M638-D681 PolarHBondContact N-O 3.04Å; M638-V683 HydrophobicContact CG-CB 4.36Å; M638-V683 HydrophobicContact CG-CG2 4.31Å; M638-A686 HydrophobicContact CB-CB 3.88Å; M638-A686 HydrophobicContact CG-CB 4.21Å; M638-A686 HydrophobicContact SD-CB 4.09Å; M638-V690 HydrophobicContact SD-CG1 3.88Å
639S89.6Confident86.7Confident35 Ų3563.6 Ų63.625%0.24531%0.307CS..G310 helixtrans-60.9-24.7167.8-62.40000112.7D637 F641 M642 E682 K685D637-S639 PolarHBondContact O-N 3.33Å; D637-S639 WeakPolarHBondContact OD1-CB 3.27Å; D637-S639 PolarHBondContact OD1-N 2.83Å; D637-S639 PolarHBondContact OD1-OG 3.16Å; D637-S639 VanDerWaalsContact OD1-OG 3.13Å; S639-F641 VanDerWaalsContact C-N 3.26Å; S639-F641 PolarHBondContact O-N 2.88Å; S639-M642 VanDerWaalsContact O-CG 3.3Å; S639-M642 WeakPolarHBondContact O-CG 3.46Å; S639-E682 PolarHBondContact OG-OE2 2.88Å; S639-K685 WeakPolarHBondContact OG-CD 3.44Å; S639-K685 PolarHBondContact OG-NZ 2.7Å
640E88.2Confident86.7Confident120 Ų12062 Ų6256%0.56130%0.295SS*.G310 helixtrans-78.2-12.3175.7-63.1-172.4-16700113.2D637 M638 S646D637-E640 PolarHBondContact O-N 2.83Å; M638-E640 PolarHBondContact O-N 3.35Å; E640-S646 WeakPolarHBondContact O-CB 3.44Å
641F90.6Very high86.4Confident6 Ų664 Ų643%0.02631%0.308CS..G310 helixtrans-118.327.9-173.8-58.9-87.6000112.7I636 D637 M638 S639 E643 S646 R649 L650 H687 V690I636-F641 HydrophobicContact CG2-CD2 4.06Å; I636-F641 HydrophobicContact CG2-CE2 3.37Å; I636-F641 HydrophobicContact CG2-CZ 4.09Å; D637-F641 WeakPolarHBondContact O-CD2 3.45Å; M638-F641 HydrophobicContact CE-CD2 3.83Å; M638-F641 HydrophobicContact CE-CE2 4.28Å; M638-F641 CarbonylContact O-C 3.55Å; M638-F641 PolarHBondContact O-N 3.45Å; S639-F641 VanDerWaalsContact C-N 3.26Å; S639-F641 PolarHBondContact O-N 2.88Å; F641-E643 VanDerWaalsContact C-N 3.26Å; F641-E643 PolarHBondContact O-N 3.41Å; F641-S646 VanDerWaalsContact CD1-O 3.27Å; F641-S646 WeakPolarHBondContact CD1-O 3.3Å; F641-S646 WeakPolarHBondContact CE1-O 3.33Å; F641-R649 HydrophobicContact CE1-CB 4.36Å; F641-L650 HydrophobicContact CD1-CB 4.05Å; F641-L650 HydrophobicContact CD1-CD1 4.2Å; F641-L650 HydrophobicContact CD2-CD1 4.37Å; F641-L650 HydrophobicContact CE1-CB 3.67Å; F641-L650 HydrophobicContact CE1-CD1 3.69Å; F641-L650 HydrophobicContact CE1-CG 4.28Å; F641-L650 HydrophobicContact CE2-CD1 3.89Å; F641-L650 HydrophobicContact CZ-CB 4.33Å; F641-L650 HydrophobicContact CZ-CD1 3.51Å; F641-H687 VanDerWaalsContact O-CB 3.29Å; F641-H687 WeakPolarHBondContact O-CB 3.49Å; F641-H687 PolarHBondContact O-N 3.15Å; F641-V690 HydrophobicContact CB-CG2 4.11Å
642M89.9Confident86.1Confident113 Ų11358.1 Ų58.156%0.55729%0.285SS*.  trans-66.6-26.6177.7-66-17972.900113.2S639 K685S639-M642 VanDerWaalsContact O-CG 3.3Å; S639-M642 WeakPolarHBondContact O-CG 3.46Å; M642-K685 HydrophobicContact CG-CB 4.48Å; M642-K685 WeakPolarHBondContact CG-O 3.44Å
643E89.3Confident85.5Confident120 Ų12059.1 Ų59.156%0.56129%0.294SS*.SBendtrans-99.9149.1-178.8-64.4-162.9-15400112.4F641 H645 S646F641-E643 VanDerWaalsContact C-N 3.26Å; F641-E643 PolarHBondContact O-N 3.41Å; E643-H645 VanDerWaalsContact C-N 3.25Å; E643-H645 PolarHBondContact O-N 3.02Å; E643-H645 IonicContact OE2-CE1 3.59Å; E643-H645 PolarHBondContact OE2-CE1 3.02Å; E643-H645 IonicContact OE2-ND1 3.66Å; E643-H645 PolarHBondContact OE2-ND1 2.98Å; E643-S646 PolarHBondContact N-OG 3.1Å; E643-S646 PolarHBondContact O-N 3.34Å; E643-S646 VanDerWaalsContact O-N 3.14Å; E643-S646 PolarHBondContact O-OG 3.34Å
644K84.4Confident84.3Confident140 Ų14060.4 Ų60.461%0.60930%0.304SS*.Hα-helixtrans-56.7-38.6179.2-174.7167.8-176.61610113.2S646 V647 D689K644-S646 VanDerWaalsContact C-N 3.35Å; K644-V647 WeakPolarHBondContact O-CB 3.32Å; K644-V647 WeakPolarHBondContact O-CG2 3.5Å; K644-V647 PolarHBondContact O-N 3.26Å; K644-D689 WeakPolarHBondContact CE-OD2 3.33Å; K644-D689 IonicContact NZ-OD2 2.72Å
645H81.5Confident83Confident104 Ų10464.2 Ų64.248%0.48133%0.329SS..Hα-helixtrans-74.7-24.4-17777.9-88.9000112.8E643 V647 R649E643-H645 VanDerWaalsContact C-N 3.25Å; E643-H645 PolarHBondContact O-N 3.02Å; E643-H645 IonicContact OE2-CE1 3.59Å; E643-H645 PolarHBondContact OE2-CE1 3.02Å; E643-H645 IonicContact OE2-ND1 3.66Å; E643-H645 PolarHBondContact OE2-ND1 2.98Å; H645-V647 VanDerWaalsContact C-N 3.32Å; H645-R649 PolarHBondContact NE2-NH2 3.43Å
646S83Confident81.5Confident4 Ų461.8 Ų61.83%0.02835%0.345CS..Hα-helixtrans-70-27.6173.130.50000112.6E640 F641 E643 K644 S648 R649E640-S646 WeakPolarHBondContact O-CB 3.44Å; F641-S646 VanDerWaalsContact CD1-O 3.27Å; F641-S646 WeakPolarHBondContact CD1-O 3.3Å; F641-S646 WeakPolarHBondContact CE1-O 3.33Å; E643-S646 PolarHBondContact N-OG 3.1Å; E643-S646 PolarHBondContact O-N 3.34Å; E643-S646 VanDerWaalsContact O-N 3.14Å; E643-S646 PolarHBondContact O-OG 3.34Å; K644-S646 VanDerWaalsContact C-N 3.35Å; S646-S648 PolarHBondContact O-N 2.8Å; S646-R649 WeakPolarHBondContact O-CA 3.48Å; S646-R649 VanDerWaalsContact O-CB 3.3Å; S646-R649 WeakPolarHBondContact O-CB 3.42Å; S646-R649 PolarHBondContact O-N 3.06Å
647V82.6Confident80Confident20 Ų2069.4 Ų69.412%0.12138%0.375CS..Hα-helixtrans-57.4-37.7178.7-174.40000111.6K644 H645 R649 L650 H687 D689 V690K644-V647 WeakPolarHBondContact O-CB 3.32Å; K644-V647 WeakPolarHBondContact O-CG2 3.5Å; K644-V647 PolarHBondContact O-N 3.26Å; H645-V647 VanDerWaalsContact C-N 3.32Å; V647-R649 PolarHBondContact O-N 3.49Å; V647-L650 VanDerWaalsContact O-CB 3.26Å; V647-L650 WeakPolarHBondContact O-CB 3.48Å; V647-L650 PolarHBondContact O-N 3.34Å; V647-H687 HydrophobicContact CG2-CB 4.05Å; V647-D689 HydrophobicContact CG1-CB 4.48Å; V647-D689 HydrophobicContact CG2-CB 4.36Å; V647-V690 HydrophobicContact CB-CG2 4.47Å; V647-V690 HydrophobicContact CG1-CG2 4.16Å; V647-V690 HydrophobicContact CG2-CG2 3.7Å
648S80.6Confident78.3Confident55 Ų5574.1 Ų74.139%0.38541%0.405SS..Hα-helixtrans-61.7-26.4174.7-56.70000113S646 L650 G652S646-S648 PolarHBondContact O-N 2.8Å; S648-L650 VanDerWaalsContact C-N 3.27Å; S648-L650 PolarHBondContact O-N 3.49Å; S648-G652 CarbonylContact O-C 3.58Å; S648-G652 VanDerWaalsContact O-CA 3.25Å; S648-G652 WeakPolarHBondContact O-CA 3.5Å; S648-G652 PolarHBondContact O-N 3.3Å
649R81.4Confident76.7Confident143 Ų14375.4 Ų75.454%0.5442%0.419SS..Hα-helixtrans-71.8-23175.1-59.2-174.7-126.1150.31.4112.7F641 H645 S646 V647 G664 Y665F641-R649 HydrophobicContact CE1-CB 4.36Å; H645-R649 PolarHBondContact NE2-NH2 3.43Å; S646-R649 WeakPolarHBondContact O-CA 3.48Å; S646-R649 VanDerWaalsContact O-CB 3.3Å; S646-R649 WeakPolarHBondContact O-CB 3.42Å; S646-R649 PolarHBondContact O-N 3.06Å; V647-R649 PolarHBondContact O-N 3.49Å; R649-G664 CarbonylContact O-C 3.54Å; R649-G664 VanDerWaalsContact O-CA 3.26Å; R649-G664 WeakPolarHBondContact O-CA 3.34Å; R649-Y665 PolarHBondContact O-N 2.73Å
650L83.8Confident75.2Confident9 Ų979.6 Ų79.65%0.04743%0.43CS..Hα-helixtrans-71.7-48.3-178.5-165.677.1000111.2I636 F641 V647 S648 G664 Y665 L666 V690I636-L650 HydrophobicContact CD1-CD1 3.76Å; I636-L650 HydrophobicContact CG2-CD1 3.82Å; F641-L650 HydrophobicContact CD1-CB 4.05Å; F641-L650 HydrophobicContact CD1-CD1 4.2Å; F641-L650 HydrophobicContact CD2-CD1 4.37Å; F641-L650 HydrophobicContact CE1-CB 3.67Å; F641-L650 HydrophobicContact CE1-CD1 3.69Å; F641-L650 HydrophobicContact CE1-CG 4.28Å; F641-L650 HydrophobicContact CE2-CD1 3.89Å; F641-L650 HydrophobicContact CZ-CB 4.33Å; F641-L650 HydrophobicContact CZ-CD1 3.51Å; V647-L650 VanDerWaalsContact O-CB 3.26Å; V647-L650 WeakPolarHBondContact O-CB 3.48Å; V647-L650 PolarHBondContact O-N 3.34Å; S648-L650 VanDerWaalsContact C-N 3.27Å; S648-L650 PolarHBondContact O-N 3.49Å; L650-G664 CarbonylContact O-C 3.44Å; L650-G664 VanDerWaalsContact O-C 3.24Å; L650-G664 WeakPolarHBondContact O-CA 3.41Å; L650-Y665 PolarHBondContact O-N 3.06Å; L650-L666 HydrophobicContact CD1-CB 4.01Å; L650-L666 HydrophobicContact CD2-CD2 4.31Å; L650-L666 HydrophobicContact CG-CB 3.85Å; L650-L666 HydrophobicContact CG-CD2 4.32Å; L650-L666 WeakPolarHBondContact O-CB 3.29Å; L650-L666 PolarHBondContact O-N 3.08Å; L650-V690 HydrophobicContact CD2-CG1 4.15Å
651V79.5Confident73.7Confident92 Ų9278.3 Ų78.356%0.55842%0.424SS*.Hα-helixtrans-93.8-29-176.4-172.50000112.2G664 T667V651-G664 VanDerWaalsContact C-CA 3.41Å; V651-G664 PolarHBondContact O-N 3.5Å; V651-G664 VanDerWaalsContact O-N 3.11Å; V651-T667 HydrophobicContact CG1-CG2 4.27Å; V651-T667 PolarHBondContact O-OG1 3.15Å
652G76.8Confident72.5Confident15 Ų1585.3 Ų85.316%0.15546%0.457CS..BIsolated β-bridgetrans123.3159.1-174.100000110.4S648 G664S648-G652 CarbonylContact O-C 3.58Å; S648-G652 VanDerWaalsContact O-CA 3.25Å; S648-G652 WeakPolarHBondContact O-CA 3.5Å; S648-G652 PolarHBondContact O-N 3.3Å; G652-G664 VanDerWaalsContact N-CA 3.29Å
653A69.8Low71.4Confident29 Ų2981.3 Ų81.324%0.2445%0.445CS..PPolyproline II helixtrans-59.3155.3177.700000110Y660A653-Y660 WeakPolarHBondContact O-CD2 3.38Å
654P63.7Low70.9Confident57 Ų5775.8 Ų75.837%0.3742%0.42SS..PPolyproline II helixtrans-72.9159.5170.910.9-5.5000111.6G656 Y657 Y660P654-G656 PolarHBondContact O-N 3.48Å; P654-Y657 HydrophobicContact CB-CD2 4.34Å; P654-Y657 HydrophobicContact CG-CD2 3.76Å; P654-Y657 HydrophobicContact CG-CE2 3.99Å; P654-Y657 PolarHBondContact O-N 2.7Å; P654-Y660 VanDerWaalsContact O-CD2 3.31Å; P654-Y660 WeakPolarHBondContact O-CD2 3.45Å
655P61.9Low70.8Confident95 Ų9575.9 Ų75.962%0.61742%0.417SS*.THydrogen-bonded Turntrans-52.2128.5175.8-19.926.6000111.5Y660P655-Y660 VanDerWaalsContact CA-CE2 3.49Å; P655-Y660 HydrophobicContact CB-CD2 4.29Å; P655-Y660 HydrophobicContact CB-CE1 4.26Å; P655-Y660 HydrophobicContact CB-CE2 3.92Å; P655-Y660 VanDerWaalsContact CD-CE2 3.44Å; P655-Y660 HydrophobicContact CG-CD2 4.27Å; P655-Y660 HydrophobicContact CG-CE1 4.47Å; P655-Y660 HydrophobicContact CG-CE2 3.51Å
656G58.9Low71.1Confident81 Ų8172.7 Ų72.784%0.83540%0.404SS*.THydrogen-bonded Turntrans101.3-6.5178.400000116P654P654-G656 PolarHBondContact O-N 3.48Å
657Y61.2Low71Confident164 Ų16475.1 Ų75.164%0.64342%0.418SS*.SBendtrans-96.6151.4173.2-73.7-97.2000111.9P654 G659 Y660P654-Y657 HydrophobicContact CB-CD2 4.34Å; P654-Y657 HydrophobicContact CG-CD2 3.76Å; P654-Y657 HydrophobicContact CG-CE2 3.99Å; P654-Y657 PolarHBondContact O-N 2.7Å; Y657-G659 PolarHBondContact O-N 3.05Å; Y657-Y660 WeakPolarHBondContact O-CB 3.49Å; Y657-Y660 PolarHBondContact O-N 2.96Å; Y657-Y660 VanDerWaalsContact O-N 3.11Å
658V54.8Low70.8Confident154 Ų15476.5 Ų76.593%0.93342%0.424SS*.THydrogen-bonded Turntrans-59.4130.1170.8179.80000108.5
659G58.7Low70.7Confident28 Ų2875.2 Ų75.229%0.28942%0.416SS..THydrogen-bonded Turntrans89.43.4-175.400000114.9Y657 E661 E662Y657-G659 PolarHBondContact O-N 3.05Å; G659-E661 PolarHBondContact O-N 2.74Å; G659-E661 VanDerWaalsContact O-N 3.11Å; G659-E662 PolarHBondContact O-N 3.35Å
660Y58.5Low70.7Confident122 Ų12270.4 Ų70.448%0.47840%0.403SS..THydrogen-bonded Turntrans-53.5-29.3171.5177.4-113.1000113.4A653 P654 P655 Y657A653-Y660 WeakPolarHBondContact O-CD2 3.38Å; P654-Y660 VanDerWaalsContact O-CD2 3.31Å; P654-Y660 WeakPolarHBondContact O-CD2 3.45Å; P655-Y660 VanDerWaalsContact CA-CE2 3.49Å; P655-Y660 HydrophobicContact CB-CD2 4.29Å; P655-Y660 HydrophobicContact CB-CE1 4.26Å; P655-Y660 HydrophobicContact CB-CE2 3.92Å; P655-Y660 VanDerWaalsContact CD-CE2 3.44Å; P655-Y660 HydrophobicContact CG-CD2 4.27Å; P655-Y660 HydrophobicContact CG-CE1 4.47Å; P655-Y660 HydrophobicContact CG-CE2 3.51Å; Y657-Y660 WeakPolarHBondContact O-CB 3.49Å; Y657-Y660 PolarHBondContact O-N 2.96Å; Y657-Y660 VanDerWaalsContact O-N 3.11Å
661E57.3Low70.1Confident94 Ų9476.5 Ų76.544%0.43943%0.425SS..THydrogen-bonded Turntrans-80.2-23.2179.2-68.1-176.2173.900113.3R324 G659R324-E661 WeakPolarHBondContact CD-OE2 2.92Å; R324-E661 IonicContact NE-OE1 3.26Å; R324-E661 PolarHBondContact NH1-O 3.25Å; G659-E661 PolarHBondContact O-N 2.74Å; G659-E661 VanDerWaalsContact O-N 3.11Å
662E65.3Low69.6Low152 Ų15280.6 Ų80.671%0.7143%0.431SS*.SBendtrans-80119.6170.7-66.6178.5-179.100107.3G659G659-E662 PolarHBondContact O-N 3.35Å
663G66.4Low69.3Low29 Ų2985.4 Ų85.430%0.29944%0.444SS..BIsolated β-bridgetrans-59.8154.1173.300000110.5E668G663-E668 WeakPolarHBondContact O-CG 3.26Å
664G79.7Confident69.3Low4 Ų487.8 Ų87.84%0.04146%0.457CS..PPolyproline II helixtrans-66.1167173.400000113R649 L650 V651 G652 L666 T667 E668R649-G664 CarbonylContact O-C 3.54Å; R649-G664 VanDerWaalsContact O-CA 3.26Å; R649-G664 WeakPolarHBondContact O-CA 3.34Å; L650-G664 CarbonylContact O-C 3.44Å; L650-G664 VanDerWaalsContact O-C 3.24Å; L650-G664 WeakPolarHBondContact O-CA 3.41Å; V651-G664 VanDerWaalsContact C-CA 3.41Å; V651-G664 PolarHBondContact O-N 3.5Å; V651-G664 VanDerWaalsContact O-N 3.11Å; G652-G664 VanDerWaalsContact N-CA 3.29Å; G664-L666 VanDerWaalsContact C-N 3.28Å; G664-L666 PolarHBondContact O-N 3.4Å; G664-T667 WeakPolarHBondContact CA-OG1 3.42Å; G664-T667 PolarHBondContact N-OG1 3.37Å; G664-T667 PolarHBondContact O-N 2.95Å; G664-T667 VanDerWaalsContact O-N 3.13Å; G664-T667 PolarHBondContact O-OG1 2.92Å; G664-E668 WeakPolarHBondContact O-CB 3.44Å; G664-E668 PolarHBondContact O-N 3.48Å
665Y82.1Confident69.8Low142 Ų14289 Ų8956%0.55746%0.455SS*.Hα-helixtrans-52.1-45.2-177.9-168.7-95.7000112.7I636 R649 L650 A669I636-Y665 HydrophobicContact CD1-CD1 4.23Å; I636-Y665 HydrophobicContact CG1-CD1 4.32Å; I636-Y665 HydrophobicContact CG1-CE1 4.27Å; I636-Y665 HydrophobicContact CG2-CD1 4.37Å; R649-Y665 PolarHBondContact O-N 2.73Å; L650-Y665 PolarHBondContact O-N 3.06Å; Y665-A669 WeakPolarHBondContact O-CB 3.37Å; Y665-A669 PolarHBondContact O-N 2.69Å; Y665-A669 VanDerWaalsContact O-N 3.15Å
666L86.2Confident70.8Confident37 Ų3785.5 Ų85.519%0.19443%0.432CS..Hα-helixtrans-70.8-49.4177.3174.164000110.9V634 I636 L650 G664 E668 A669 V670 I678V634-L666 HydrophobicContact CG1-CD1 4.44Å; I636-L666 HydrophobicContact CD1-CB 3.74Å; I636-L666 HydrophobicContact CD1-CD1 3.54Å; I636-L666 HydrophobicContact CD1-CG 4.15Å; L650-L666 HydrophobicContact CD1-CB 4.01Å; L650-L666 HydrophobicContact CD2-CD2 4.31Å; L650-L666 HydrophobicContact CG-CB 3.85Å; L650-L666 HydrophobicContact CG-CD2 4.32Å; L650-L666 WeakPolarHBondContact O-CB 3.29Å; L650-L666 PolarHBondContact O-N 3.08Å; G664-L666 VanDerWaalsContact C-N 3.28Å; G664-L666 PolarHBondContact O-N 3.4Å; L666-E668 VanDerWaalsContact C-N 3.34Å; L666-E668 PolarHBondContact O-N 2.95Å; L666-A669 PolarHBondContact O-N 3.27Å; L666-V670 HydrophobicContact CD1-CG2 3.68Å; L666-V670 HydrophobicContact CG-CG2 4.3Å; L666-V670 WeakPolarHBondContact O-CB 3.45Å; L666-V670 VanDerWaalsContact O-CG2 3.25Å; L666-V670 WeakPolarHBondContact O-CG2 3.39Å; L666-V670 PolarHBondContact O-N 3.17Å; L666-I678 HydrophobicContact CD1-CD1 4.17Å; L666-I678 HydrophobicContact CD1-CG1 4.44Å; L666-I678 HydrophobicContact CD1-CG2 4Å
667T81.8Confident72.2Confident55 Ų5582.6 Ų82.634%0.33740%0.399SS..Hα-helixtrans-64.4-38.4-174.750.20000112.1V651 G664 R671V651-T667 HydrophobicContact CG1-CG2 4.27Å; V651-T667 PolarHBondContact O-OG1 3.15Å; G664-T667 WeakPolarHBondContact CA-OG1 3.42Å; G664-T667 PolarHBondContact N-OG1 3.37Å; G664-T667 PolarHBondContact O-N 2.95Å; G664-T667 VanDerWaalsContact O-N 3.13Å; G664-T667 PolarHBondContact O-OG1 2.92Å; T667-R671 WeakPolarHBondContact O-CB 3.4Å; T667-R671 PolarHBondContact O-N 2.87Å
668E77.5Confident73.7Confident50 Ų5078.8 Ų78.823%0.23439%0.389CS..Hα-helixtrans-72-41.9176-78.8-63128.800111.7G663 G664 L666 V670 R671 R672G663-E668 WeakPolarHBondContact O-CG 3.26Å; G664-E668 WeakPolarHBondContact O-CB 3.44Å; G664-E668 PolarHBondContact O-N 3.48Å; L666-E668 VanDerWaalsContact C-N 3.34Å; L666-E668 PolarHBondContact O-N 2.95Å; E668-V670 VanDerWaalsContact C-N 3.33Å; E668-V670 PolarHBondContact O-N 2.82Å; E668-R671 PolarHBondContact O-N 3Å; E668-R671 IonicContact OE1-NH1 2.81Å; E668-R672 WeakPolarHBondContact O-CB 3.41Å; E668-R672 VanDerWaalsContact O-CG 3.26Å; E668-R672 WeakPolarHBondContact O-CG 3.43Å; E668-R672 PolarHBondContact O-N 2.89Å; E668-R672 IonicContact OE2-NE 2.85Å
669A79.7Confident75.5Confident27 Ų2772.2 Ų72.222%0.22335%0.348CS..Hα-helixtrans-60.6-44.217600000111.5V634 Y665 L666 R673V634-A669 HydrophobicContact CG1-CB 3.66Å; V634-A669 HydrophobicContact CG2-CB 4.02Å; Y665-A669 WeakPolarHBondContact O-CB 3.37Å; Y665-A669 PolarHBondContact O-N 2.69Å; Y665-A669 VanDerWaalsContact O-N 3.15Å; L666-A669 PolarHBondContact O-N 3.27Å; A669-R673 PolarHBondContact O-N 2.81Å
670V80.3Confident77.2Confident43 Ų4374.1 Ų74.126%0.26135%0.351SS..Hα-helixtrans-70.1-39.3176.7175.10000111.3L666 E668 R672 R673 P674 I678L666-V670 HydrophobicContact CD1-CG2 3.68Å; L666-V670 HydrophobicContact CG-CG2 4.3Å; L666-V670 WeakPolarHBondContact O-CB 3.45Å; L666-V670 VanDerWaalsContact O-CG2 3.25Å; L666-V670 WeakPolarHBondContact O-CG2 3.39Å; L666-V670 PolarHBondContact O-N 3.17Å; E668-V670 VanDerWaalsContact C-N 3.33Å; E668-V670 PolarHBondContact O-N 2.82Å; V670-R672 VanDerWaalsContact C-N 3.3Å; V670-R672 PolarHBondContact O-N 3.19Å; V670-R673 CarbonylContact O-C 3.49Å; V670-R673 PolarHBondContact O-N 3.38Å; V670-P674 WeakPolarHBondContact O-CA 3.28Å; V670-P674 WeakPolarHBondContact O-CD 3.29Å; V670-I678 HydrophobicContact CG2-CD1 3.75Å; V670-I678 HydrophobicContact CG2-CG1 4.16Å
671R71.4Confident78.8Confident137 Ų13769.7 Ų69.752%0.51734%0.336SS..Hα-helixtrans-61.8-39.2176.5-175.8177.7-179.7-161.1-5.7111.9E211 T667 E668E211-R671 IonicContact OE1-NH2 2.7Å; E211-R671 PolarHBondContact OE1-NH2 3.41Å; T667-R671 WeakPolarHBondContact O-CB 3.4Å; T667-R671 PolarHBondContact O-N 2.87Å; E668-R671 PolarHBondContact O-N 3Å; E668-R671 IonicContact OE1-NH1 2.81Å
672R68.9Low80.4Confident178 Ų17868.1 Ų68.167%0.67233%0.329SS*.Hα-helixtrans-74-30.9175.9-69.1174.6-173.2-160.6-0.7113E668 V670E668-R672 WeakPolarHBondContact O-CB 3.41Å; E668-R672 VanDerWaalsContact O-CG 3.26Å; E668-R672 WeakPolarHBondContact O-CG 3.43Å; E668-R672 PolarHBondContact O-N 2.89Å; E668-R672 IonicContact OE2-NE 2.85Å; V670-R672 VanDerWaalsContact C-N 3.3Å; V670-R672 PolarHBondContact O-N 3.19Å
673R71.8Confident81.6Confident116 Ų11662.1 Ų62.144%0.43830%0.302SS..  trans-13676.6179.4-71.6-171.2174.1-171.5-1.3110.7E631 A669 V670 Y675 S676E631-R673 PolarHBondContact O-NH1 3.35Å; A669-R673 PolarHBondContact O-N 2.81Å; V670-R673 CarbonylContact O-C 3.49Å; V670-R673 PolarHBondContact O-N 3.38Å; R673-Y675 PolarHBondContact O-N 3.3Å; R673-S676 WeakPolarHBondContact O-CB 3.49Å; R673-S676 PolarHBondContact O-OG 2.6Å
674P68.2Low82.8Confident79 Ų7967.5 Ų67.551%0.51332%0.32SS..SBendtrans-65.7-30.6-177.522-31.1000112.1V670 S676V670-P674 WeakPolarHBondContact O-CA 3.28Å; V670-P674 WeakPolarHBondContact O-CD 3.29Å; P674-S676 PolarHBondContact O-N 2.87Å
675Y75.2Confident83.4Confident82 Ų8271.1 Ų71.132%0.32233%0.334SS..SBendtrans-89.472.1174.5-63.5-61.2000111H382 F627 R673H382-Y675 AromaticContact CD2-CZ 3.95Å; H382-Y675 PolarHBondContact CD2-OH 3.21Å; H382-Y675 AromaticContact NE2-CZ 3.91Å; H382-Y675 PolarHBondContact NE2-OH 3.03Å; H382-Y675 WeakPolarHBondContact O-CE2 3.26Å; F627-Y675 WeakPolarHBondContact CD2-O 3.37Å; F627-Y675 HydrophobicContact CE1-CD1 4.16Å; F627-Y675 HydrophobicContact CE1-CG 4.31Å; F627-Y675 WeakPolarHBondContact CG-O 3.46Å; R673-Y675 PolarHBondContact O-N 3.3Å
676S82.5Confident83.8Confident21 Ų2165 Ų6515%0.14731%0.312CS..  trans-141157.2179.259.90000112.4A632 R673 P674A632-S676 CarbonylContact O-C 3.51Å; A632-S676 VanDerWaalsContact O-CA 3.3Å; A632-S676 WeakPolarHBondContact O-CA 3.45Å; R673-S676 WeakPolarHBondContact O-CB 3.49Å; R673-S676 PolarHBondContact O-OG 2.6Å; P674-S676 PolarHBondContact O-N 2.87Å
677V89.6Confident84.1Confident21 Ų2165.4 Ų65.413%0.12731%0.313CS..EExtended strand (participates in β ladder)trans-84.9125.5168.1177.80000108.4C619 L622 A623 F627 A632 M633 V634C619-V677 HydrophobicContact CB-CG1 4.17Å; L622-V677 HydrophobicContact CB-CG2 4.4Å; L622-V677 HydrophobicContact CD2-CG2 4.15Å; L622-V677 HydrophobicContact CG-CG2 4.2Å; A623-V677 HydrophobicContact CB-CB 4.3Å; A623-V677 HydrophobicContact CB-CG2 3.9Å; F627-V677 HydrophobicContact CE2-CG2 4.11Å; A632-V677 PolarHBondContact O-N 3.2Å; M633-V677 CarbonylContact C-O 3.59Å; M633-V677 WeakPolarHBondContact CA-O 3.21Å; M633-V677 HydrophobicContact CB-CB 4.47Å; M633-V677 HydrophobicContact CG-CB 4.32Å; M633-V677 VanDerWaalsContact CG-O 3.28Å; M633-V677 WeakPolarHBondContact CG-O 3.2Å; V634-V677 PolarHBondContact N-O 2.86Å
678I91.4Very high84.5Confident84 Ų8467 Ų6743%0.43132%0.324SS..EExtended strand (participates in β ladder)trans-91121.1174.2-59.4165.4000108.3L666 V670 L680L666-I678 HydrophobicContact CD1-CD1 4.17Å; L666-I678 HydrophobicContact CD1-CG1 4.44Å; L666-I678 HydrophobicContact CD1-CG2 4Å; V670-I678 HydrophobicContact CG2-CD1 3.75Å; V670-I678 HydrophobicContact CG2-CG1 4.16Å; I678-L680 HydrophobicContact CG2-CD2 4.2Å
679L93.7Very high85Confident16 Ų1667 Ų678%0.08433%0.326CS..EExtended strand (participates in β ladder)trans-113.4112.8174.6172.959.9000109.5T616 C619 M633 V634 R635 I636 D681T616-L679 HydrophobicContact CG2-CD2 3.85Å; C619-L679 HydrophobicContact CB-CD2 4.29Å; M633-L679 HydrophobicContact CE-CD2 4.29Å; M633-L679 HydrophobicContact CG-CB 4.12Å; M633-L679 HydrophobicContact SD-CB 3.8Å; M633-L679 HydrophobicContact SD-CD2 3.72Å; M633-L679 HydrophobicContact SD-CG 4.42Å; V634-L679 PolarHBondContact O-N 3.4Å; R635-L679 WeakPolarHBondContact CA-O 3.42Å; R635-L679 HydrophobicContact CG-CD2 4.13Å; R635-L679 HydrophobicContact CG-CG 4.38Å; I636-L679 PolarHBondContact N-O 3.02Å; L679-D681 HydrophobicContact CG-CB 4.47Å
680L93Very high85.3Confident67 Ų6766.7 Ų66.735%0.35132%0.322SS..EExtended strand (participates in β ladder)trans-90.298.6167.2-54.6-179.7000107.8I636 M638 I678 V683I636-L680 HydrophobicContact CB-CD2 4.22Å; I636-L680 HydrophobicContact CD1-CD2 4.37Å; M638-L680 HydrophobicContact CE-CB 4.39Å; M638-L680 HydrophobicContact CE-CD2 3.69Å; M638-L680 HydrophobicContact CG-CB 3.99Å; M638-L680 HydrophobicContact SD-CB 4.1Å; M638-L680 HydrophobicContact SD-CD2 4.07Å; M638-L680 HydrophobicContact SD-CG 4.45Å; I678-L680 HydrophobicContact CG2-CD2 4.2Å; L680-V683 HydrophobicContact CB-CG2 4.19Å
681D92.3Very high85.4Confident30 Ų3070.9 Ų70.916%0.1634%0.336CS..EExtended strand (participates in β ladder)trans-83.3145.7-176.5-153.21.1000111.1R635 I636 M638 L679 V683R635-D681 HydrophobicContact CG-CB 4.5Å; R635-D681 IonicContact CZ-OD2 3.77Å; R635-D681 IonicContact NE-OD2 2.89Å; R635-D681 PolarHBondContact NE-OD2 2.85Å; R635-D681 IonicContact NH2-OD2 3.73Å; R635-D681 PolarHBondContact NH2-OD2 3.41Å; I636-D681 PolarHBondContact O-N 3.18Å; M638-D681 WeakPolarHBondContact CB-O 3.46Å; M638-D681 WeakPolarHBondContact CG-O 3.31Å; M638-D681 PolarHBondContact N-O 3.04Å; L679-D681 HydrophobicContact CG-CB 4.47Å; D681-V683 PolarHBondContact O-N 3.4Å
682E91.1Very high85.7Confident61 Ų6172.9 Ų72.929%0.28536%0.358SS..THydrogen-bonded Turntrans49.442.4-175.1-54.6-168120.300113.8S639 E684 K685S639-E682 PolarHBondContact OG-OE2 2.88Å; E682-E684 VanDerWaalsContact C-OE2 3.22Å; E682-E684 PolarHBondContact O-N 2.92Å; E682-K685 HydrophobicContact CB-CD 3.95Å; E682-K685 HydrophobicContact CB-CG 4.34Å; E682-K685 WeakPolarHBondContact O-CB 3.18Å; E682-K685 PolarHBondContact O-N 2.99Å; E682-K685 IonicContact OE1-NZ 3.51Å; E682-K685 PolarHBondContact OE1-NZ 3.49Å; E682-K685 WeakPolarHBondContact OE2-CE 3.41Å; E682-K685 IonicContact OE2-NZ 3.35Å; E682-K685 PolarHBondContact OE2-NZ 3.33Å
683V91.4Very high86.5Confident25 Ų2567.7 Ų67.715%0.15234%0.342CS..G310 helixtrans-55.4-23.3-173.279.20000114.6L606 M638 L680 D681 K685 A686 F691L606-V683 HydrophobicContact CD1-CG1 3.61Å; M638-V683 HydrophobicContact CG-CB 4.36Å; M638-V683 HydrophobicContact CG-CG2 4.31Å; L680-V683 HydrophobicContact CB-CG2 4.19Å; D681-V683 PolarHBondContact O-N 3.4Å; V683-K685 PolarHBondContact O-N 3.43Å; V683-A686 VanDerWaalsContact O-CB 3.28Å; V683-A686 WeakPolarHBondContact O-CB 3.32Å; V683-A686 PolarHBondContact O-N 3.43Å; V683-A686 VanDerWaalsContact O-N 3.16Å; V683-F691 HydrophobicContact CG2-CE1 3.69Å; V683-F691 HydrophobicContact CG2-CZ 3.7Å
684E90.4Very high87.3Confident143 Ų14365.1 Ų65.167%0.66834%0.337SS*.G310 helixtrans-63.3-20172.468.2-82-170.600114.4E682E682-E684 VanDerWaalsContact C-OE2 3.22Å; E682-E684 PolarHBondContact O-N 2.92Å
685K92.1Very high88.4Confident80 Ų8064.3 Ų64.335%0.34833%0.327SS..G310 helixtrans-87.9-14.8176.4-62.2179.1178.9174.10112.7S639 M642 E682 V683S639-K685 WeakPolarHBondContact OG-CD 3.44Å; S639-K685 PolarHBondContact OG-NZ 2.7Å; M642-K685 HydrophobicContact CG-CB 4.48Å; M642-K685 WeakPolarHBondContact CG-O 3.44Å; E682-K685 HydrophobicContact CB-CD 3.95Å; E682-K685 HydrophobicContact CB-CG 4.34Å; E682-K685 WeakPolarHBondContact O-CB 3.18Å; E682-K685 PolarHBondContact O-N 2.99Å; E682-K685 IonicContact OE1-NZ 3.51Å; E682-K685 PolarHBondContact OE1-NZ 3.49Å; E682-K685 WeakPolarHBondContact OE2-CE 3.41Å; E682-K685 IonicContact OE2-NZ 3.35Å; E682-K685 PolarHBondContact OE2-NZ 3.33Å; V683-K685 PolarHBondContact O-N 3.43Å
686A91.8Very high89.1Confident12 Ų1263.3 Ų63.310%0.09933%0.327CS..SBendtrans-60.5145.8-179.300000111.6M638 V683 V690 F691M638-A686 HydrophobicContact CB-CB 3.88Å; M638-A686 HydrophobicContact CG-CB 4.21Å; M638-A686 HydrophobicContact SD-CB 4.09Å; V683-A686 VanDerWaalsContact O-CB 3.28Å; V683-A686 WeakPolarHBondContact O-CB 3.32Å; V683-A686 PolarHBondContact O-N 3.43Å; V683-A686 VanDerWaalsContact O-N 3.16Å; A686-V690 HydrophobicContact CB-CB 4.08Å; A686-V690 HydrophobicContact CB-CG1 4.32Å; A686-V690 HydrophobicContact CB-CG2 4.15Å; A686-F691 HydrophobicContact CB-CE2 4.22Å
687H91.9Very high89.6Confident46 Ų4665.9 Ų65.921%0.21334%0.339CS..  trans-60141.7164.9-171.9-92000110.1F641 V647 D689 V690F641-H687 VanDerWaalsContact O-CB 3.29Å; F641-H687 WeakPolarHBondContact O-CB 3.49Å; F641-H687 PolarHBondContact O-N 3.15Å; V647-H687 HydrophobicContact CG2-CB 4.05Å; H687-D689 VanDerWaalsContact CE1-CG 3.45Å; H687-D689 IonicContact CE1-OD1 3.59Å; H687-D689 IonicContact CE1-OD2 2.88Å; H687-D689 PolarHBondContact CE1-OD2 3.17Å; H687-D689 VanDerWaalsContact CE1-OD2 3.31Å; H687-D689 WeakPolarHBondContact ND1-CB 3.23Å; H687-D689 PolarHBondContact ND1-N 3.44Å; H687-D689 VanDerWaalsContact ND1-N 3.16Å; H687-D689 IonicContact ND1-OD2 3.94Å; H687-D689 PolarHBondContact O-N 3.1Å; H687-V690 HydrophobicContact CB-CG2 4.49Å; H687-V690 WeakPolarHBondContact O-CB 3.38Å; H687-V690 WeakPolarHBondContact O-CG2 3.4Å; H687-V690 PolarHBondContact O-N 3.1Å
688P90Very high89.6Confident88 Ų8868.9 Ų68.957%0.57135%0.353SS*.G310 helixtrans-53.6-31.5-179-29.335.5000114.8V690 F691P688-V690 PolarHBondContact O-N 3.35Å; P688-F691 PolarHBondContact O-N 3.18Å
689D87.6Confident89.4Confident51 Ų5167.9 Ų67.927%0.27335%0.347SS..G310 helixtrans-65.5-14177.1-68.1-11.5000113.8K644 V647 H687 F691 N692K644-D689 WeakPolarHBondContact CE-OD2 3.33Å; K644-D689 IonicContact NZ-OD2 2.72Å; V647-D689 HydrophobicContact CG1-CB 4.48Å; V647-D689 HydrophobicContact CG2-CB 4.36Å; H687-D689 VanDerWaalsContact CE1-CG 3.45Å; H687-D689 IonicContact CE1-OD1 3.59Å; H687-D689 IonicContact CE1-OD2 2.88Å; H687-D689 PolarHBondContact CE1-OD2 3.17Å; H687-D689 VanDerWaalsContact CE1-OD2 3.31Å; H687-D689 WeakPolarHBondContact ND1-CB 3.23Å; H687-D689 PolarHBondContact ND1-N 3.44Å; H687-D689 VanDerWaalsContact ND1-N 3.16Å; H687-D689 IonicContact ND1-OD2 3.94Å; H687-D689 PolarHBondContact O-N 3.1Å; D689-F691 VanDerWaalsContact C-N 3.29Å; D689-N692 PolarHBondContact O-N 2.7Å
690V86.2Confident89.1Confident20 Ų2071.8 Ų71.812%0.12137%0.368CS..G310 helixtrans-69.7-29.2173.8175.80000111.7M638 F641 V647 L650 A686 H687 P688 N692M638-V690 HydrophobicContact SD-CG1 3.88Å; F641-V690 HydrophobicContact CB-CG2 4.11Å; V647-V690 HydrophobicContact CB-CG2 4.47Å; V647-V690 HydrophobicContact CG1-CG2 4.16Å; V647-V690 HydrophobicContact CG2-CG2 3.7Å; L650-V690 HydrophobicContact CD2-CG1 4.15Å; A686-V690 HydrophobicContact CB-CB 4.08Å; A686-V690 HydrophobicContact CB-CG1 4.32Å; A686-V690 HydrophobicContact CB-CG2 4.15Å; H687-V690 HydrophobicContact CB-CG2 4.49Å; H687-V690 WeakPolarHBondContact O-CB 3.38Å; H687-V690 WeakPolarHBondContact O-CG2 3.4Å; H687-V690 PolarHBondContact O-N 3.1Å; P688-V690 PolarHBondContact O-N 3.35Å; V690-N692 VanDerWaalsContact C-N 3.33Å
691F82.6Confident88.8Confident131 Ų13172.3 Ų72.358%0.57537%0.369SS*.  trans-78.7-19.4179.4-63.2-87.4000113.1V683 A686 P688 D689V683-F691 HydrophobicContact CG2-CE1 3.69Å; V683-F691 HydrophobicContact CG2-CZ 3.7Å; A686-F691 HydrophobicContact CB-CE2 4.22Å; P688-F691 PolarHBondContact O-N 3.18Å; D689-F691 VanDerWaalsContact C-N 3.29Å
692N78Confident88.5Confident180 Ų18076.1 Ų76.196%0.96339%0.388SS*.  trans-82.70174.8-69.5-36.5000109.9D689 V690D689-N692 PolarHBondContact O-N 2.7Å; V690-N692 VanDerWaalsContact C-N 3.33Å

Retrieved 692 of 692 residues in 1374.5 ms (Link to these results)

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