A0A3Q0KP60_SCHMA Loading...

DNA-directed RNA polymerase III subunit RPC3

DNA-dependent RNA polymerase catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates. Specific core component of RNA polymerase III which synthesizes small RNAs, such as 5S rRNA and tRNAs.

AlphaFold DB , UniProt , Accession A0A3Q0KP60, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 567 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
1M64.4Low83.8Confident139 Ų13945.9 Ų45.969%0.68524%0.242SC*.  0140.70-78.9-64.4-81.200107.5A5 Y79 F83M1-A5 HydrophobicContact CE-CB 3.45Å; M1-A5 VanDerWaalsContact CE-CB 3.45Å; M1-Y79 HydrophobicContact CE-CD1 3.93Å; M1-Y79 HydrophobicContact CE-CD2 4.4Å; M1-Y79 HydrophobicContact CE-CE1 4.46Å; M1-Y79 HydrophobicContact CE-CG 3.89Å; M1-F83 HydrophobicContact CE-CE2 3.7Å; M1-F83 HydrophobicContact CE-CZ 3.94Å
2S75.7Confident84.3Confident27 Ų2742.3 Ų42.319%0.18922%0.223CC..  trans-70.9150.9172.453.40000109.9T4 A5 S6 Q456S2-T4 PolarHBondContact O-N 3.49Å; S2-T4 PolarHBondContact OG-OG1 3.08Å; S2-A5 PolarHBondContact O-N 3.23Å; S2-A5 VanDerWaalsContact OG-CB 3.24Å; S2-A5 WeakPolarHBondContact OG-CB 3.37Å; S2-A5 PolarHBondContact OG-N 3.42Å; S2-S6 PolarHBondContact O-N 2.95Å; S2-S6 PolarHBondContact O-OG 3.18Å; S2-Q456 PolarHBondContact OG-OE1 2.97Å
3D83.5Confident84.5Confident132 Ų13239.2 Ų39.271%0.70621%0.206SC*.Hα-helixtrans-57.3-34.3175.3-66.3-27.1000111.1S6 E7D3-S6 WeakPolarHBondContact O-CB 3.3Å; D3-S6 PolarHBondContact O-N 3.15Å; D3-S6 VanDerWaalsContact O-N 3.17Å; D3-E7 WeakPolarHBondContact O-CG 3.42Å; D3-E7 PolarHBondContact O-N 3.49Å
4T83.7Confident84.9Confident15 Ų1541.9 Ų41.99%0.09222%0.221CC..Hα-helixtrans-74.2-30.1-178.755.20000114S2 S6 E7 Y8 H457S2-T4 PolarHBondContact O-N 3.49Å; S2-T4 PolarHBondContact OG-OG1 3.08Å; T4-S6 VanDerWaalsContact C-N 3.3Å; T4-E7 PolarHBondContact O-N 3.01Å; T4-Y8 VanDerWaalsContact O-CB 3.29Å; T4-Y8 WeakPolarHBondContact O-CB 3.21Å; T4-Y8 PolarHBondContact O-N 3.35Å; T4-H457 WeakPolarHBondContact CG2-CE1 3.47Å; T4-H457 WeakPolarHBondContact CG2-ND1 3.4Å; T4-H457 VanDerWaalsContact CG2-NE2 3.34Å; T4-H457 WeakPolarHBondContact CG2-NE2 3.18Å; T4-H457 PolarHBondContact OG1-NE2 2.95Å
5A85.2Confident85Confident0 Ų044.4 Ų44.40%023%0.229CC..Hα-helixtrans-65.6-37.1168.600000111.4M1 S2 Y8 A9 F83 Q456M1-A5 HydrophobicContact CE-CB 3.45Å; M1-A5 VanDerWaalsContact CE-CB 3.45Å; S2-A5 PolarHBondContact O-N 3.23Å; S2-A5 VanDerWaalsContact OG-CB 3.24Å; S2-A5 WeakPolarHBondContact OG-CB 3.37Å; S2-A5 PolarHBondContact OG-N 3.42Å; A5-Y8 PolarHBondContact O-N 3.47Å; A5-A9 WeakPolarHBondContact O-CB 3.27Å; A5-A9 PolarHBondContact O-N 2.97Å; A5-F83 HydrophobicContact CB-CZ 4.01Å; A5-F83 WeakPolarHBondContact O-CZ 3.35Å; A5-Q456 HydrophobicContact CB-CG 4.5Å
6S86.3Confident85Confident23 Ų2349.2 Ų49.216%0.16125%0.245CC..Hα-helixtrans-68-43.5175.5-57.10000111.8S2 D3 T4 Y8 A9 C10S2-S6 PolarHBondContact O-N 2.95Å; S2-S6 PolarHBondContact O-OG 3.18Å; D3-S6 WeakPolarHBondContact O-CB 3.3Å; D3-S6 PolarHBondContact O-N 3.15Å; D3-S6 VanDerWaalsContact O-N 3.17Å; T4-S6 VanDerWaalsContact C-N 3.3Å; S6-Y8 VanDerWaalsContact C-N 3.34Å; S6-Y8 PolarHBondContact O-N 3.31Å; S6-A9 PolarHBondContact O-N 3.18Å; S6-C10 PolarHBondContact O-N 3.36Å; S6-C10 PolarHBondContact O-SG 3.38Å
7E87.9Confident84.9Confident106 Ų10649.2 Ų49.250%0.49524%0.243SC..Hα-helixtrans-60.2-44.1172.8-72.2-179.217600111.8D3 T4 A9 C10 Y11 F460D3-E7 WeakPolarHBondContact O-CG 3.42Å; D3-E7 PolarHBondContact O-N 3.49Å; T4-E7 PolarHBondContact O-N 3.01Å; E7-A9 VanDerWaalsContact C-N 3.34Å; E7-A9 PolarHBondContact O-N 3.31Å; E7-C10 WeakPolarHBondContact O-CB 3.26Å; E7-C10 PolarHBondContact O-N 3.33Å; E7-Y11 WeakPolarHBondContact O-CB 3.17Å; E7-Y11 PolarHBondContact O-N 2.85Å; E7-F460 HydrophobicContact CB-CE1 4.07Å; E7-F460 HydrophobicContact CB-CZ 4.41Å
8Y89.4Confident84.9Confident2 Ų248.1 Ų48.11%0.00825%0.246CC..Hα-helixtrans-63.6-40.4177.3-175.6-132.4000111.8T4 A5 S6 Y11 I12 F83 P86 V459 F460 W556T4-Y8 VanDerWaalsContact O-CB 3.29Å; T4-Y8 WeakPolarHBondContact O-CB 3.21Å; T4-Y8 PolarHBondContact O-N 3.35Å; A5-Y8 PolarHBondContact O-N 3.47Å; S6-Y8 VanDerWaalsContact C-N 3.34Å; S6-Y8 PolarHBondContact O-N 3.31Å; Y8-Y11 AromaticContact CD2-CD1 3.9Å; Y8-Y11 HydrophobicContact CD2-CD1 3.9Å; Y8-Y11 AromaticContact CE2-CD1 3.89Å; Y8-Y11 HydrophobicContact CE2-CD1 3.89Å; Y8-Y11 HydrophobicContact CE2-CE1 4.18Å; Y8-Y11 WeakPolarHBondContact O-CB 3.35Å; Y8-Y11 PolarHBondContact O-N 3.14Å; Y8-I12 HydrophobicContact CD1-CD1 3.99Å; Y8-I12 HydrophobicContact CD2-CD1 4.39Å; Y8-I12 HydrophobicContact CD2-CG1 4.4Å; Y8-I12 HydrophobicContact CE1-CD1 3.65Å; Y8-I12 HydrophobicContact CE2-CD1 4.08Å; Y8-I12 HydrophobicContact CE2-CG1 4.04Å; Y8-I12 HydrophobicContact CG-CD1 4.34Å; Y8-I12 WeakPolarHBondContact O-CG1 3.32Å; Y8-I12 PolarHBondContact O-N 3.08Å; Y8-F83 AromaticContact CD1-CD1 3.83Å; Y8-F83 HydrophobicContact CD1-CD1 3.83Å; Y8-F83 AromaticContact CD1-CE1 3.7Å; Y8-F83 HydrophobicContact CD1-CE1 3.7Å; Y8-F83 HydrophobicContact CE1-CD1 4.05Å; Y8-F83 HydrophobicContact CE1-CE1 4.39Å; Y8-F83 HydrophobicContact CG-CE1 4.5Å; Y8-P86 HydrophobicContact CE1-CG 4.5Å; Y8-P86 WeakPolarHBondContact OH-CG 3.46Å; Y8-V459 HydrophobicContact CE1-CG1 3.66Å; Y8-V459 HydrophobicContact CE2-CG1 4.01Å; Y8-V459 WeakPolarHBondContact OH-CG1 3.5Å; Y8-F460 HydrophobicContact CD2-CB 3.85Å; Y8-F460 AromaticContact CD2-CD2 3.73Å; Y8-F460 HydrophobicContact CD2-CD2 3.73Å; Y8-F460 HydrophobicContact CD2-CG 4.1Å; Y8-F460 HydrophobicContact CG-CB 4.18Å; Y8-W556 HydrophobicContact CD1-CZ3 4.36Å; Y8-W556 HydrophobicContact CE1-CZ3 4.23Å
9A88.2Confident84.8Confident0 Ų052.7 Ų52.70%027%0.266CS..Hα-helixtrans-61.6-45.217400000111.9A5 S6 E7 Y11 I12 L13 Y79 I82 F83A5-A9 WeakPolarHBondContact O-CB 3.27Å; A5-A9 PolarHBondContact O-N 2.97Å; S6-A9 PolarHBondContact O-N 3.18Å; E7-A9 VanDerWaalsContact C-N 3.34Å; E7-A9 PolarHBondContact O-N 3.31Å; A9-Y11 VanDerWaalsContact C-N 3.3Å; A9-Y11 PolarHBondContact O-N 3.37Å; A9-I12 PolarHBondContact O-N 3.22Å; A9-L13 VanDerWaalsContact O-CG 3.31Å; A9-L13 WeakPolarHBondContact O-CG 3.16Å; A9-L13 PolarHBondContact O-N 3.43Å; A9-Y79 HydrophobicContact CB-CD1 3.94Å; A9-Y79 HydrophobicContact CB-CE1 3.96Å; A9-I82 HydrophobicContact CB-CD1 4.5Å; A9-I82 HydrophobicContact CB-CG2 3.93Å; A9-F83 HydrophobicContact CB-CE1 4.02Å; A9-F83 HydrophobicContact CB-CZ 4.32Å
10C87.6Confident84.5Confident29 Ų2950.3 Ų50.320%0.19625%0.254CS..Hα-helixtrans-59.4-40.8174.4-75.90000112.4S6 E7 L13 N14 T22S6-C10 PolarHBondContact O-N 3.36Å; S6-C10 PolarHBondContact O-SG 3.38Å; E7-C10 WeakPolarHBondContact O-CB 3.26Å; E7-C10 PolarHBondContact O-N 3.33Å; C10-L13 PolarHBondContact O-N 2.92Å; C10-N14 WeakPolarHBondContact O-CB 3.2Å; C10-N14 PolarHBondContact O-N 2.95Å; C10-T22 HydrophobicContact CB-CG2 4.41Å
11Y89.8Confident84.4Confident32 Ų3247.9 Ų47.913%0.12524%0.243CC..Hα-helixtrans-62.8-45.8175.7164-94.5000111.9E7 Y8 A9 L13 N14 K15 F460 S463 L464 D467E7-Y11 WeakPolarHBondContact O-CB 3.17Å; E7-Y11 PolarHBondContact O-N 2.85Å; Y8-Y11 AromaticContact CD2-CD1 3.9Å; Y8-Y11 HydrophobicContact CD2-CD1 3.9Å; Y8-Y11 AromaticContact CE2-CD1 3.89Å; Y8-Y11 HydrophobicContact CE2-CD1 3.89Å; Y8-Y11 HydrophobicContact CE2-CE1 4.18Å; Y8-Y11 WeakPolarHBondContact O-CB 3.35Å; Y8-Y11 PolarHBondContact O-N 3.14Å; A9-Y11 VanDerWaalsContact C-N 3.3Å; A9-Y11 PolarHBondContact O-N 3.37Å; Y11-L13 PolarHBondContact O-N 3.4Å; Y11-N14 PolarHBondContact O-N 2.96Å; Y11-K15 HydrophobicContact CE1-CD 4.26Å; Y11-K15 WeakPolarHBondContact O-CB 3.44Å; Y11-K15 PolarHBondContact O-N 2.98Å; Y11-K15 PolarHBondContact OH-NZ 2.95Å; Y11-F460 HydrophobicContact CD1-CD2 4.33Å; Y11-F460 HydrophobicContact CD1-CE2 4.33Å; Y11-F460 HydrophobicContact CD2-CE2 4.14Å; Y11-F460 HydrophobicContact CG-CD2 4.25Å; Y11-F460 AromaticContact CG-CE2 3.79Å; Y11-F460 HydrophobicContact CG-CE2 3.79Å; Y11-S463 PolarHBondContact OH-O 2.98Å; Y11-L464 HydrophobicContact CD2-CD2 3.93Å; Y11-L464 HydrophobicContact CE2-CD2 3.87Å; Y11-D467 WeakPolarHBondContact CE2-OD2 3.45Å; Y11-D467 PolarHBondContact OH-OD1 3.03Å; Y11-D467 PolarHBondContact OH-OD2 2.94Å
12I89.6Confident85.1Confident3 Ų342.9 Ų42.92%0.01522%0.22CC..Hα-helixtrans-59.7-48.4175.2-67.2165.1000110Y8 A9 N14 K15 Y16 I82 F83 V85 P86Y8-I12 HydrophobicContact CD1-CD1 3.99Å; Y8-I12 HydrophobicContact CD2-CD1 4.39Å; Y8-I12 HydrophobicContact CD2-CG1 4.4Å; Y8-I12 HydrophobicContact CE1-CD1 3.65Å; Y8-I12 HydrophobicContact CE2-CD1 4.08Å; Y8-I12 HydrophobicContact CE2-CG1 4.04Å; Y8-I12 HydrophobicContact CG-CD1 4.34Å; Y8-I12 WeakPolarHBondContact O-CG1 3.32Å; Y8-I12 PolarHBondContact O-N 3.08Å; A9-I12 PolarHBondContact O-N 3.22Å; I12-N14 VanDerWaalsContact C-N 3.32Å; I12-N14 PolarHBondContact O-N 3.09Å; I12-K15 PolarHBondContact O-N 2.96Å; I12-Y16 HydrophobicContact CG2-CD2 3.72Å; I12-Y16 HydrophobicContact CG2-CE2 4.02Å; I12-Y16 VanDerWaalsContact O-CD2 3.25Å; I12-Y16 WeakPolarHBondContact O-CD2 3.15Å; I12-Y16 PolarHBondContact O-N 3.04Å; I12-I82 HydrophobicContact CB-CG2 4.02Å; I12-I82 HydrophobicContact CD1-CG2 4Å; I12-I82 HydrophobicContact CG2-CG2 3.91Å; I12-F83 HydrophobicContact CD1-CD1 3.95Å; I12-F83 HydrophobicContact CD1-CE1 4.48Å; I12-V85 HydrophobicContact CG2-CB 4.14Å; I12-V85 HydrophobicContact CG2-CG1 4.41Å; I12-V85 HydrophobicContact CG2-CG2 4.49Å; I12-P86 HydrophobicContact CD1-CG 3.94Å
13L87.8Confident85.2Confident1 Ų142.8 Ų42.81%0.00522%0.218CC..Hα-helixtrans-59.5-43.7-180-71.1170.8000111.8A9 C10 Y11 K15 F17 G18 T25 L59 L77 I82A9-L13 VanDerWaalsContact O-CG 3.31Å; A9-L13 WeakPolarHBondContact O-CG 3.16Å; A9-L13 PolarHBondContact O-N 3.43Å; C10-L13 PolarHBondContact O-N 2.92Å; Y11-L13 PolarHBondContact O-N 3.4Å; L13-K15 PolarHBondContact O-N 3.27Å; L13-F17 HydrophobicContact CD2-CD2 3.98Å; L13-F17 HydrophobicContact CD2-CE2 4.29Å; L13-F17 WeakPolarHBondContact O-CA 3.27Å; L13-F17 WeakPolarHBondContact O-CB 3.2Å; L13-F17 PolarHBondContact O-N 2.75Å; L13-G18 PolarHBondContact O-N 3.46Å; L13-T25 HydrophobicContact CD1-CG2 3.93Å; L13-T25 WeakPolarHBondContact CD1-OG1 3.46Å; L13-L59 HydrophobicContact CD2-CD2 3.76Å; L13-L77 HydrophobicContact CD1-CD2 4.26Å; L13-I82 HydrophobicContact CD1-CD1 4.23Å; L13-I82 HydrophobicContact CD2-CD1 4.45Å; L13-I82 HydrophobicContact CD2-CG1 4.41Å; L13-I82 HydrophobicContact CG-CD1 4.49Å
14N89Confident84.8Confident78 Ų7836.5 Ų36.542%0.41719%0.185SC..Hα-helixtrans-62.7-43.2176.6-169.540.1000111.8C10 Y11 I12 G18 E19 T22C10-N14 WeakPolarHBondContact O-CB 3.2Å; C10-N14 PolarHBondContact O-N 2.95Å; Y11-N14 PolarHBondContact O-N 2.96Å; I12-N14 VanDerWaalsContact C-N 3.32Å; I12-N14 PolarHBondContact O-N 3.09Å; N14-G18 WeakPolarHBondContact O-CA 3.31Å; N14-G18 PolarHBondContact O-N 3.14Å; N14-E19 VanDerWaalsContact OD1-CA 3.31Å; N14-E19 WeakPolarHBondContact OD1-CA 3.42Å; N14-E19 PolarHBondContact OD1-N 3Å; N14-T22 VanDerWaalsContact CA-OG1 3.32Å; N14-T22 WeakPolarHBondContact CA-OG1 3.09Å; N14-T22 VanDerWaalsContact CB-OG1 3.26Å; N14-T22 WeakPolarHBondContact CB-OG1 3.29Å; N14-T22 PolarHBondContact N-OG1 3.04Å
15K86.6Confident84.6Confident79 Ų7935.8 Ų35.834%0.34318%0.18SC..Hα-helixtrans-67.2-41.6-175.4-178166.5179.6164.50113.3Y11 I12 L13 D467Y11-K15 HydrophobicContact CE1-CD 4.26Å; Y11-K15 WeakPolarHBondContact O-CB 3.44Å; Y11-K15 PolarHBondContact O-N 2.98Å; Y11-K15 PolarHBondContact OH-NZ 2.95Å; I12-K15 PolarHBondContact O-N 2.96Å; L13-K15 PolarHBondContact O-N 3.27Å; K15-D467 IonicContact NZ-OD1 2.83Å; K15-D467 PolarHBondContact NZ-OD1 3.07Å; K15-D467 IonicContact NZ-OD2 2.94Å; K15-D467 PolarHBondContact NZ-OD2 3Å
16Y84.9Confident84.3Confident121 Ų12140.5 Ų40.548%0.47520%0.202SC..Hα-helixtrans-99.4-29.7-173.9-64.5-78.5000114I12 V85I12-Y16 HydrophobicContact CG2-CD2 3.72Å; I12-Y16 HydrophobicContact CG2-CE2 4.02Å; I12-Y16 VanDerWaalsContact O-CD2 3.25Å; I12-Y16 WeakPolarHBondContact O-CD2 3.15Å; I12-Y16 PolarHBondContact O-N 3.04Å; Y16-V85 HydrophobicContact CD1-CG1 4.19Å; Y16-V85 HydrophobicContact CD2-CG1 3.65Å; Y16-V85 HydrophobicContact CE1-CG1 4.1Å; Y16-V85 HydrophobicContact CE2-CG1 3.57Å; Y16-V85 HydrophobicContact CG-CG1 3.98Å
17F84.3Confident83.9Confident50 Ų5039.8 Ų39.822%0.21920%0.196CC..Hα-helixtrans-112-9.1-178.1-61.6-85.6000113.7L13 A21 L59 H62 M64L13-F17 HydrophobicContact CD2-CD2 3.98Å; L13-F17 HydrophobicContact CD2-CE2 4.29Å; L13-F17 WeakPolarHBondContact O-CA 3.27Å; L13-F17 WeakPolarHBondContact O-CB 3.2Å; L13-F17 PolarHBondContact O-N 2.75Å; F17-A21 HydrophobicContact CB-CB 3.47Å; F17-A21 VanDerWaalsContact CB-CB 3.47Å; F17-A21 HydrophobicContact CG-CB 4.48Å; F17-L59 HydrophobicContact CD1-CD2 3.99Å; F17-L59 HydrophobicContact CD2-CD2 3.96Å; F17-L59 HydrophobicContact CE1-CD2 4.14Å; F17-L59 HydrophobicContact CE2-CD2 4.11Å; F17-L59 HydrophobicContact CG-CD2 3.89Å; F17-L59 HydrophobicContact CZ-CD2 4.2Å; F17-H62 HydrophobicContact CE1-CB 4.19Å; F17-H62 AromaticContact CE1-CD2 3.47Å; F17-H62 VanDerWaalsContact CE1-CD2 3.47Å; F17-H62 WeakPolarHBondContact CE1-CD2 3.3Å; F17-H62 AromaticContact CE1-CG 3.82Å; F17-H62 AromaticContact CE1-NE2 3.99Å; F17-H62 HydrophobicContact CZ-CB 3.83Å; F17-H62 AromaticContact CZ-CD2 3.91Å; F17-H62 AromaticContact CZ-CG 3.75Å; F17-M64 HydrophobicContact CE2-CG 4.21Å; F17-M64 HydrophobicContact CZ-CE 4.46Å; F17-M64 HydrophobicContact CZ-CG 4.12Å
18G84.7Confident83.6Confident28 Ų2834.8 Ų34.829%0.28917%0.173SC..  trans84.1173.7179.400000114.2L13 N14 A20 A21L13-G18 PolarHBondContact O-N 3.46Å; N14-G18 WeakPolarHBondContact O-CA 3.31Å; N14-G18 PolarHBondContact O-N 3.14Å; G18-A20 PolarHBondContact O-N 2.89Å; G18-A20 VanDerWaalsContact O-N 3.13Å; G18-A21 WeakPolarHBondContact O-CB 3.37Å; G18-A21 PolarHBondContact O-N 3.38Å
19E81.9Confident82.9Confident136 Ų13636.1 Ų36.164%0.63618%0.182SC*.Hα-helixtrans-56.9-33.6-174.3-173.1-177178.100113.4N14 A21 T22 V23N14-E19 VanDerWaalsContact OD1-CA 3.31Å; N14-E19 WeakPolarHBondContact OD1-CA 3.42Å; N14-E19 PolarHBondContact OD1-N 3Å; E19-A21 VanDerWaalsContact C-N 3.25Å; E19-A21 PolarHBondContact O-N 3.19Å; E19-T22 PolarHBondContact O-N 2.87Å; E19-V23 HydrophobicContact CG-CG2 4.45Å; E19-V23 WeakPolarHBondContact O-CG2 3.32Å; E19-V23 PolarHBondContact O-N 3.21Å
20A80Confident82.5Confident4 Ų441.1 Ų41.13%0.03321%0.212CC..Hα-helixtrans-62.8-32179.700000112.8G18 S24 L47 R51 C55G18-A20 PolarHBondContact O-N 2.89Å; G18-A20 VanDerWaalsContact O-N 3.13Å; A20-S24 WeakPolarHBondContact O-CB 3.46Å; A20-S24 PolarHBondContact O-N 3.09Å; A20-S24 PolarHBondContact O-OG 3.37Å; A20-L47 HydrophobicContact CB-CD1 4.15Å; A20-L47 HydrophobicContact CB-CD2 3.97Å; A20-R51 HydrophobicContact CB-CG 4.41Å; A20-C55 VanDerWaalsContact CB-SG 3.55Å
21A81.6Confident82Confident1 Ų146.4 Ų46.41%0.00823%0.232CC..Hα-helixtrans-69.3-47.8174.400000110.7F17 G18 E19 V23 S24 T25 L59F17-A21 HydrophobicContact CB-CB 3.47Å; F17-A21 VanDerWaalsContact CB-CB 3.47Å; F17-A21 HydrophobicContact CG-CB 4.48Å; G18-A21 WeakPolarHBondContact O-CB 3.37Å; G18-A21 PolarHBondContact O-N 3.38Å; E19-A21 VanDerWaalsContact C-N 3.25Å; E19-A21 PolarHBondContact O-N 3.19Å; A21-V23 VanDerWaalsContact C-N 3.33Å; A21-V23 PolarHBondContact O-N 2.93Å; A21-S24 CarbonylContact O-C 3.52Å; A21-S24 WeakPolarHBondContact O-CB 3.41Å; A21-S24 PolarHBondContact O-N 3.02Å; A21-T25 WeakPolarHBondContact O-CG2 3.02Å; A21-T25 PolarHBondContact O-N 3.29Å; A21-T25 PolarHBondContact O-OG1 3.31Å; A21-L59 HydrophobicContact CB-CD1 4.4Å
22T79.5Confident81.5Confident34 Ų3446.4 Ų46.421%0.20924%0.242CC..Hα-helixtrans-58.8-42.3180-51.50000112.6C10 N14 E19 S24 T25 H26C10-T22 HydrophobicContact CB-CG2 4.41Å; N14-T22 VanDerWaalsContact CA-OG1 3.32Å; N14-T22 WeakPolarHBondContact CA-OG1 3.09Å; N14-T22 VanDerWaalsContact CB-OG1 3.26Å; N14-T22 WeakPolarHBondContact CB-OG1 3.29Å; N14-T22 PolarHBondContact N-OG1 3.04Å; E19-T22 PolarHBondContact O-N 2.87Å; T22-S24 VanDerWaalsContact C-N 3.34Å; T22-T25 PolarHBondContact O-N 2.85Å; T22-T25 PolarHBondContact O-OG1 3.29Å; T22-H26 WeakPolarHBondContact O-CB 3.48Å; T22-H26 PolarHBondContact O-N 3.11Å
23V77.5Confident81.1Confident25 Ų2549 Ų4915%0.15226%0.26CS..Hα-helixtrans-65.7-39.4175.7177.20000111.2E19 A21 T25 K46 L47E19-V23 HydrophobicContact CG-CG2 4.45Å; E19-V23 WeakPolarHBondContact O-CG2 3.32Å; E19-V23 PolarHBondContact O-N 3.21Å; A21-V23 VanDerWaalsContact C-N 3.33Å; A21-V23 PolarHBondContact O-N 2.93Å; V23-T25 VanDerWaalsContact C-N 3.33Å; V23-K46 HydrophobicContact CG1-CB 4.18Å; V23-K46 HydrophobicContact CG1-CD 4.28Å; V23-K46 HydrophobicContact CG2-CD 4.19Å; V23-L47 HydrophobicContact CB-CD1 3.54Å; V23-L47 HydrophobicContact CG1-CD1 3.59Å; V23-L47 HydrophobicContact CG2-CD1 4.11Å
24S75.2Confident80.9Confident0 Ų049 Ų490%026%0.261CS..Hα-helixtrans-69.4-31.9178.9-550000112.4A20 A21 T22 I39A20-S24 WeakPolarHBondContact O-CB 3.46Å; A20-S24 PolarHBondContact O-N 3.09Å; A20-S24 PolarHBondContact O-OG 3.37Å; A21-S24 CarbonylContact O-C 3.52Å; A21-S24 WeakPolarHBondContact O-CB 3.41Å; A21-S24 PolarHBondContact O-N 3.02Å; T22-S24 VanDerWaalsContact C-N 3.34Å; S24-I39 WeakPolarHBondContact O-CG2 3.42Å
25T78.7Confident80.5Confident0 Ų046 Ų460%025%0.246CC..Hα-helixtrans-93.4-11.8-178.259.80000113.6L13 A21 T22 V23 I27 L28 C29 L59 L77L13-T25 HydrophobicContact CD1-CG2 3.93Å; L13-T25 WeakPolarHBondContact CD1-OG1 3.46Å; A21-T25 WeakPolarHBondContact O-CG2 3.02Å; A21-T25 PolarHBondContact O-N 3.29Å; A21-T25 PolarHBondContact O-OG1 3.31Å; T22-T25 PolarHBondContact O-N 2.85Å; T22-T25 PolarHBondContact O-OG1 3.29Å; V23-T25 VanDerWaalsContact C-N 3.33Å; T25-I27 VanDerWaalsContact C-N 3.32Å; T25-I27 PolarHBondContact O-N 3.39Å; T25-L28 WeakPolarHBondContact O-CA 3.49Å; T25-L28 VanDerWaalsContact O-CB 3.29Å; T25-L28 WeakPolarHBondContact O-CB 3.05Å; T25-L28 PolarHBondContact O-N 3.11Å; T25-C29 PolarHBondContact O-N 3.27Å; T25-C29 PolarHBondContact O-SG 3.32Å; T25-L59 HydrophobicContact CG2-CD1 3.65Å; T25-L77 HydrophobicContact CG2-CD2 3.76Å
26H80.2Confident80Confident99 Ų9945 Ų4546%0.45824%0.244SC..Hα-helixtrans-53.8-47.2-179.5177.4-92.5000112.4T22 L28 C29 V30 D42T22-H26 WeakPolarHBondContact O-CB 3.48Å; T22-H26 PolarHBondContact O-N 3.11Å; H26-L28 PolarHBondContact O-N 3.29Å; H26-C29 WeakPolarHBondContact O-CB 3.26Å; H26-C29 PolarHBondContact O-N 2.97Å; H26-C29 VanDerWaalsContact O-N 3.15Å; H26-V30 WeakPolarHBondContact O-CG2 3.38Å; H26-V30 PolarHBondContact O-N 3.02Å; H26-V30 VanDerWaalsContact O-N 3.11Å; H26-D42 IonicContact ND1-OD2 2.79Å
27I77.6Confident79.6Confident7 Ų743.1 Ų43.14%0.03625%0.248CC..Hα-helixtrans-63.6-30.6177-166.3154.8000112.5T25 V30 K31 E38 I39 D42T25-I27 VanDerWaalsContact C-N 3.32Å; T25-I27 PolarHBondContact O-N 3.39Å; I27-V30 PolarHBondContact O-N 2.66Å; I27-K31 HydrophobicContact CD1-CD 4.01Å; I27-K31 HydrophobicContact CG1-CB 4.37Å; I27-K31 HydrophobicContact CG1-CD 3.84Å; I27-K31 HydrophobicContact CG1-CG 4.1Å; I27-K31 WeakPolarHBondContact O-CB 3.44Å; I27-K31 PolarHBondContact O-N 3.5Å; I27-E38 HydrophobicContact CD1-CB 4.42Å; I27-I39 HydrophobicContact CG2-CB 4.29Å; I27-I39 HydrophobicContact CG2-CG1 3.73Å; I27-D42 HydrophobicContact CB-CB 4.3Å; I27-D42 HydrophobicContact CD1-CB 3.58Å
28L80.5Confident79.3Confident2 Ų244.2 Ų44.21%0.0125%0.254CS..Hα-helixtrans-72.1-31.7177-59.2179.1000112.1T25 H26 G32 I39 L65 Y75 L77T25-L28 WeakPolarHBondContact O-CA 3.49Å; T25-L28 VanDerWaalsContact O-CB 3.29Å; T25-L28 WeakPolarHBondContact O-CB 3.05Å; T25-L28 PolarHBondContact O-N 3.11Å; H26-L28 PolarHBondContact O-N 3.29Å; L28-G32 WeakPolarHBondContact CA-O 3.19Å; L28-G32 WeakPolarHBondContact CD2-O 3.32Å; L28-G32 WeakPolarHBondContact O-CA 3.42Å; L28-G32 PolarHBondContact O-N 3.43Å; L28-G32 VanDerWaalsContact O-N 3.16Å; L28-I39 HydrophobicContact CD1-CD1 4.5Å; L28-I39 HydrophobicContact CD2-CD1 4.09Å; L28-I39 HydrophobicContact CD2-CG1 4.36Å; L28-I39 HydrophobicContact CG-CD1 4.46Å; L28-L65 HydrophobicContact CD1-CD2 3.44Å; L28-L65 VanDerWaalsContact CD1-CD2 3.44Å; L28-Y75 WeakPolarHBondContact CD2-O 3.33Å; L28-L77 HydrophobicContact CB-CD1 3.8Å; L28-L77 HydrophobicContact CB-CG 3.79Å; L28-L77 HydrophobicContact CD1-CD2 4.25Å; L28-L77 HydrophobicContact CD1-CG 4.12Å
29C76.7Confident79.1Confident30 Ų3043 Ų4320%0.20324%0.24CC..Hα-helixtrans-70.4-39.1172.9-62.20000111.7T25 H26 L77T25-C29 PolarHBondContact O-N 3.27Å; T25-C29 PolarHBondContact O-SG 3.32Å; H26-C29 WeakPolarHBondContact O-CB 3.26Å; H26-C29 PolarHBondContact O-N 2.97Å; H26-C29 VanDerWaalsContact O-N 3.15Å; C29-L77 WeakPolarHBondContact SG-CD1 3.15Å
30V78.3Confident78.9Confident104 Ų10438.7 Ų38.763%0.6322%0.222SC*.Hα-helixtrans-84.3-49.2-174.2177.10000112.7H26 I27H26-V30 WeakPolarHBondContact O-CG2 3.38Å; H26-V30 PolarHBondContact O-N 3.02Å; H26-V30 VanDerWaalsContact O-N 3.11Å; I27-V30 PolarHBondContact O-N 2.66Å
31K77.8Confident78.8Confident141 Ų14147.1 Ų47.161%0.61325%0.253SS*.Hα-helixtrans-94.5-14.5-176.3-65.9-169.8178.6-178.90113.6I27I27-K31 HydrophobicContact CD1-CD 4.01Å; I27-K31 HydrophobicContact CG1-CB 4.37Å; I27-K31 HydrophobicContact CG1-CD 3.84Å; I27-K31 HydrophobicContact CG1-CG 4.1Å; I27-K31 WeakPolarHBondContact O-CB 3.44Å; I27-K31 PolarHBondContact O-N 3.5Å
32G78.8Confident78.5Confident32 Ų3250.7 Ų50.733%0.3327%0.272SS..SBendtrans76.5-139.1-168.500000111.9L28 S34L28-G32 WeakPolarHBondContact CA-O 3.19Å; L28-G32 WeakPolarHBondContact CD2-O 3.32Å; L28-G32 WeakPolarHBondContact O-CA 3.42Å; L28-G32 PolarHBondContact O-N 3.43Å; L28-G32 VanDerWaalsContact O-N 3.16Å; G32-S34 PolarHBondContact O-N 3.33Å; G32-S34 VanDerWaalsContact O-N 3.1Å; G32-S34 PolarHBondContact O-OG 2.8Å; G32-S34 VanDerWaalsContact O-OG 3.06Å
33S81.9Confident78.2Confident57 Ų5749.2 Ų49.240%0.39926%0.263SS..SBendtrans-59.1112.7-175.3-58.90000112.2Y75 S76S33-Y75 WeakPolarHBondContact CA-O 3.45Å; S33-S76 WeakPolarHBondContact OG-CB 3.42Å
34S82.4Confident77.5Confident2 Ų253.5 Ų53.51%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-124.6151.7-176.1-53.50000112.3G32 Y75G32-S34 PolarHBondContact O-N 3.33Å; G32-S34 VanDerWaalsContact O-N 3.1Å; G32-S34 PolarHBondContact O-OG 2.8Å; G32-S34 VanDerWaalsContact O-OG 3.06Å; S34-Y75 PolarHBondContact N-O 3.4Å; S34-Y75 PolarHBondContact O-N 2.98Å
35S81.3Confident77Confident15 Ų1561.8 Ų61.811%0.10532%0.317CS..EExtended strand (participates in β ladder)trans-78.3156.8174.864.30000112.2S37 E38 I39S35-S37 PolarHBondContact O-N 2.66Å; S35-E38 PolarHBondContact N-OE2 3.38Å; S35-E38 PolarHBondContact O-N 2.75Å; S35-E38 VanDerWaalsContact OG-CD 3.25Å; S35-E38 VanDerWaalsContact OG-CG 3.28Å; S35-E38 WeakPolarHBondContact OG-CG 3.38Å; S35-E38 PolarHBondContact OG-N 3.44Å; S35-E38 PolarHBondContact OG-OE2 2.89Å; S35-I39 WeakPolarHBondContact O-CG1 3.37Å; S35-I39 PolarHBondContact O-N 2.89Å
36L76.6Confident76.6Confident58 Ų5869.6 Ų69.630%0.30435%0.351SS..Hα-helixtrans-54.8-39.6175.7-177.962.7000112E38 I39 L40 L56 Y75L36-E38 VanDerWaalsContact C-N 3.31Å; L36-E38 PolarHBondContact O-N 2.83Å; L36-I39 PolarHBondContact O-N 3.09Å; L36-L40 HydrophobicContact CD1-CD1 4.25Å; L36-L40 HydrophobicContact CD1-CG 4.24Å; L36-L40 HydrophobicContact CD2-CD1 4.49Å; L36-L40 HydrophobicContact CG-CD1 3.92Å; L36-L40 HydrophobicContact CG-CG 4.33Å; L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 3.06Å; L36-L56 HydrophobicContact CD1-CD1 3.44Å; L36-L56 VanDerWaalsContact CD1-CD1 3.44Å; L36-Y75 HydrophobicContact CB-CE2 3.92Å
37S75.6Confident76.3Confident80 Ų8066 Ų6656%0.55934%0.335SS*.Hα-helixtrans-62.9-36.3178.9-60.20000112.6S35 R41S35-S37 PolarHBondContact O-N 2.66Å; S37-R41 VanDerWaalsContact O-CB 3.22Å; S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 PolarHBondContact O-N 2.89Å
38E79.1Confident76.4Confident74 Ų7471.9 Ų71.935%0.34636%0.362SS..Hα-helixtrans-72.9-40.9175.6-71164.2145.400111.7I27 S35 L36 L40 R41 D42I27-E38 HydrophobicContact CD1-CB 4.42Å; S35-E38 PolarHBondContact N-OE2 3.38Å; S35-E38 PolarHBondContact O-N 2.75Å; S35-E38 VanDerWaalsContact OG-CD 3.25Å; S35-E38 VanDerWaalsContact OG-CG 3.28Å; S35-E38 WeakPolarHBondContact OG-CG 3.38Å; S35-E38 PolarHBondContact OG-N 3.44Å; S35-E38 PolarHBondContact OG-OE2 2.89Å; L36-E38 VanDerWaalsContact C-N 3.31Å; L36-E38 PolarHBondContact O-N 2.83Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.38Å; E38-R41 CarbonylContact O-C 3.52Å; E38-R41 PolarHBondContact O-N 2.78Å; E38-D42 PolarHBondContact O-N 2.97Å
39I78.8Confident76.1Confident1 Ų175 Ų751%0.00538%0.382CS..Hα-helixtrans-60.9-45.1175.7-61.5165.2000110.4S24 I27 L28 S35 L36 D42 S43 V52 L56 Y75S24-I39 WeakPolarHBondContact O-CG2 3.42Å; I27-I39 HydrophobicContact CG2-CB 4.29Å; I27-I39 HydrophobicContact CG2-CG1 3.73Å; L28-I39 HydrophobicContact CD1-CD1 4.5Å; L28-I39 HydrophobicContact CD2-CD1 4.09Å; L28-I39 HydrophobicContact CD2-CG1 4.36Å; L28-I39 HydrophobicContact CG-CD1 4.46Å; S35-I39 WeakPolarHBondContact O-CG1 3.37Å; S35-I39 PolarHBondContact O-N 2.89Å; L36-I39 PolarHBondContact O-N 3.09Å; I39-D42 PolarHBondContact O-N 2.96Å; I39-S43 VanDerWaalsContact O-CB 3.29Å; I39-S43 WeakPolarHBondContact O-CB 3.49Å; I39-S43 PolarHBondContact O-N 3.01Å; I39-S43 PolarHBondContact O-OG 3.25Å; I39-V52 HydrophobicContact CG2-CG1 4.1Å; I39-L56 HydrophobicContact CG2-CD1 4.27Å; I39-Y75 HydrophobicContact CD1-CD2 4.01Å; I39-Y75 HydrophobicContact CD1-CG 4.3Å
40L78.7Confident76.2Confident47 Ų4776.2 Ų76.225%0.24639%0.391CS..Hα-helixtrans-65.7-39.4175.8-70.2173.3000111.8L36 E38 D42 S43 H44 P49 V52L36-L40 HydrophobicContact CD1-CD1 4.25Å; L36-L40 HydrophobicContact CD1-CG 4.24Å; L36-L40 HydrophobicContact CD2-CD1 4.49Å; L36-L40 HydrophobicContact CG-CD1 3.92Å; L36-L40 HydrophobicContact CG-CG 4.33Å; L36-L40 WeakPolarHBondContact O-CB 3.36Å; L36-L40 VanDerWaalsContact O-CG 3.31Å; L36-L40 WeakPolarHBondContact O-CG 3.46Å; L36-L40 PolarHBondContact O-N 3.06Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.38Å; L40-D42 VanDerWaalsContact C-N 3.32Å; L40-D42 PolarHBondContact O-N 3.32Å; L40-S43 WeakPolarHBondContact CA-OG 3.36Å; L40-S43 PolarHBondContact O-N 3.24Å; L40-S43 PolarHBondContact O-OG 3.09Å; L40-H44 PolarHBondContact O-N 3.36Å; L40-P49 HydrophobicContact CD2-CB 3.92Å; L40-V52 HydrophobicContact CD2-CB 4.05Å; L40-V52 HydrophobicContact CD2-CG1 3.94Å
41R78.8Confident76.3Confident180 Ų18078.1 Ų78.168%0.67939%0.387SS*.Hα-helixtrans-68.2-26.5176.6-167.2-168.4-54.1-170.62.8113S37 E38 H44S37-R41 VanDerWaalsContact O-CB 3.22Å; S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 PolarHBondContact O-N 2.89Å; E38-R41 CarbonylContact O-C 3.52Å; E38-R41 PolarHBondContact O-N 2.78Å; R41-H44 PolarHBondContact O-CE1 3.3Å; R41-H44 PolarHBondContact O-ND1 3.49Å
42D74.8Confident76.3Confident76 Ų7671.4 Ų71.441%0.40636%0.358SS..Hα-helixtrans-85-39.8175-161.854.7000111.3H26 I27 E38 I39 L40 H44H26-D42 IonicContact ND1-OD2 2.79Å; I27-D42 HydrophobicContact CB-CB 4.3Å; I27-D42 HydrophobicContact CD1-CB 3.58Å; E38-D42 PolarHBondContact O-N 2.97Å; I39-D42 PolarHBondContact O-N 2.96Å; L40-D42 VanDerWaalsContact C-N 3.32Å; L40-D42 PolarHBondContact O-N 3.32Å; D42-H44 PolarHBondContact O-N 3.2Å
43S72.2Confident76.4Confident3 Ų372 Ų722%0.02136%0.356CS..Hα-helixtrans-77-17.1-175.958.20000115.4I39 L40 K45 K46 L47I39-S43 VanDerWaalsContact O-CB 3.29Å; I39-S43 WeakPolarHBondContact O-CB 3.49Å; I39-S43 PolarHBondContact O-N 3.01Å; I39-S43 PolarHBondContact O-OG 3.25Å; L40-S43 WeakPolarHBondContact CA-OG 3.36Å; L40-S43 PolarHBondContact O-N 3.24Å; L40-S43 PolarHBondContact O-OG 3.09Å; S43-K45 PolarHBondContact O-N 3.33Å; S43-K46 PolarHBondContact O-N 2.98Å; S43-L47 PolarHBondContact O-N 2.9Å
44H63.3Low76.3Confident116 Ų11676.1 Ų76.154%0.53737%0.367SS..THydrogen-bonded Turntrans-53.1-26.7-176.974.4-71000114.6L40 R41 D42 K46L40-H44 PolarHBondContact O-N 3.36Å; R41-H44 PolarHBondContact O-CE1 3.3Å; R41-H44 PolarHBondContact O-ND1 3.49Å; D42-H44 PolarHBondContact O-N 3.2Å; H44-K46 VanDerWaalsContact C-N 3.33Å; H44-K46 PolarHBondContact O-N 2.82Å
45K65.7Low76.2Confident174 Ų17476.9 Ų76.976%0.75737%0.372SS*.THydrogen-bonded Turntrans-72.4-23.2-179.6-64.9-174179.6178.30113.8S43S43-K45 PolarHBondContact O-N 3.33Å
46K69.6Low76.2Confident164 Ų16476.5 Ų76.571%0.71337%0.369SS*.THydrogen-bonded Turntrans-121.5-27.7-172.4-67.2-172.8178.8-175.30113.9V23 S43 H44V23-K46 HydrophobicContact CG1-CB 4.18Å; V23-K46 HydrophobicContact CG1-CD 4.28Å; V23-K46 HydrophobicContact CG2-CD 4.19Å; S43-K46 PolarHBondContact O-N 2.98Å; H44-K46 VanDerWaalsContact C-N 3.33Å; H44-K46 PolarHBondContact O-N 2.82Å
47L74.4Confident76.2Confident23 Ų2379.3 Ų79.312%0.1238%0.383CS..SBendtrans-136.9142.9-171-74.8154.6000112.2A20 V23 S43 R51 V52A20-L47 HydrophobicContact CB-CD1 4.15Å; A20-L47 HydrophobicContact CB-CD2 3.97Å; V23-L47 HydrophobicContact CB-CD1 3.54Å; V23-L47 HydrophobicContact CG1-CD1 3.59Å; V23-L47 HydrophobicContact CG2-CD1 4.11Å; S43-L47 PolarHBondContact O-N 2.9Å; L47-R51 HydrophobicContact CD2-CG 4.15Å; L47-V52 HydrophobicContact CB-CG2 3.79Å; L47-V52 HydrophobicContact CD1-CG2 4.46Å
48H78.5Confident76.4Confident131 Ų13177.4 Ų77.461%0.60637%0.37SS*.  trans-65.7137.5170.8-175.8-91.6000110.6S50 R51 V52H48-S50 VanDerWaalsContact C-N 3.27Å; H48-S50 WeakPolarHBondContact ND1-CB 3.44Å; H48-S50 PolarHBondContact ND1-N 3.27Å; H48-S50 PolarHBondContact O-N 3.36Å; H48-S50 VanDerWaalsContact O-N 3.14Å; H48-R51 WeakPolarHBondContact O-CB 3.47Å; H48-R51 PolarHBondContact O-N 3.12Å; H48-V52 PolarHBondContact O-N 3.31Å
49P74.9Confident76.5Confident67 Ų6773.9 Ų73.944%0.43535%0.353SS..Hα-helixtrans-55.6-36.6-174.620.2-34.7000113.8L40 R51 V52 C53L40-P49 HydrophobicContact CD2-CB 3.92Å; P49-R51 VanDerWaalsContact C-N 3.3Å; P49-R51 PolarHBondContact O-N 2.82Å; P49-V52 PolarHBondContact O-N 2.9Å; P49-C53 PolarHBondContact O-N 3.04Å; P49-C53 PolarHBondContact O-SG 3.41Å; P49-C53 VanDerWaalsContact O-SG 3.36Å
50S78.8Confident76.5Confident56 Ų5675.7 Ų75.739%0.39236%0.364SS..Hα-helixtrans-61.5-36.5176.2-177.10000112.8H48 C53 K54H48-S50 VanDerWaalsContact C-N 3.27Å; H48-S50 WeakPolarHBondContact ND1-CB 3.44Å; H48-S50 PolarHBondContact ND1-N 3.27Å; H48-S50 PolarHBondContact O-N 3.36Å; H48-S50 VanDerWaalsContact O-N 3.14Å; S50-C53 PolarHBondContact O-N 2.92Å; S50-K54 WeakPolarHBondContact O-CG 3.23Å; S50-K54 PolarHBondContact O-N 2.96Å
51R79.4Confident76.4Confident143 Ų14378 Ų7854%0.5437%0.37SS..Hα-helixtrans-70-40.7178.9-172.9168.7175.6-174.10.5110.6A20 L47 H48 P49 K54 C55A20-R51 HydrophobicContact CB-CG 4.41Å; L47-R51 HydrophobicContact CD2-CG 4.15Å; H48-R51 WeakPolarHBondContact O-CB 3.47Å; H48-R51 PolarHBondContact O-N 3.12Å; P49-R51 VanDerWaalsContact C-N 3.3Å; P49-R51 PolarHBondContact O-N 2.82Å; R51-K54 PolarHBondContact O-N 3.21Å; R51-C55 WeakPolarHBondContact O-CB 3.4Å; R51-C55 PolarHBondContact O-N 3.34Å; R51-C55 PolarHBondContact O-SG 2.91Å
52V78.9Confident76.5Confident0 Ų071.6 Ų71.60%035%0.347CS..Hα-helixtrans-59.6-48.9173.6178.50000110.5I39 L40 L47 H48 P49 K54 C55 L56I39-V52 HydrophobicContact CG2-CG1 4.1Å; L40-V52 HydrophobicContact CD2-CB 4.05Å; L40-V52 HydrophobicContact CD2-CG1 3.94Å; L47-V52 HydrophobicContact CB-CG2 3.79Å; L47-V52 HydrophobicContact CD1-CG2 4.46Å; H48-V52 PolarHBondContact O-N 3.31Å; P49-V52 PolarHBondContact O-N 2.9Å; V52-K54 PolarHBondContact O-N 2.91Å; V52-C55 PolarHBondContact O-N 3.17Å; V52-L56 HydrophobicContact CG1-CD1 4.06Å; V52-L56 HydrophobicContact CG1-CG 4.35Å; V52-L56 WeakPolarHBondContact O-CG 3.18Å; V52-L56 PolarHBondContact O-N 2.82Å
53C80.2Confident76.5Confident44 Ų4468.2 Ų68.230%0.29733%0.33SS..Hα-helixtrans-60-44.1177.6-67.30000112.6P49 S50 C55 L56 I57P49-C53 PolarHBondContact O-N 3.04Å; P49-C53 PolarHBondContact O-SG 3.41Å; P49-C53 VanDerWaalsContact O-SG 3.36Å; S50-C53 PolarHBondContact O-N 2.92Å; C53-C55 VanDerWaalsContact C-N 3.34Å; C53-C55 PolarHBondContact O-N 2.99Å; C53-L56 PolarHBondContact O-N 2.7Å; C53-I57 WeakPolarHBondContact O-CD1 3.29Å; C53-I57 WeakPolarHBondContact O-CG1 3.46Å; C53-I57 PolarHBondContact O-N 3.23Å
54K80.8Confident76.9Confident145 Ų14568.5 Ų68.563%0.6333%0.331SS*.Hα-helixtrans-61-42175.5-72.6177.7-175-1770111.9S50 R51 V52 I57 S58S50-K54 WeakPolarHBondContact O-CG 3.23Å; S50-K54 PolarHBondContact O-N 2.96Å; R51-K54 PolarHBondContact O-N 3.21Å; V52-K54 PolarHBondContact O-N 2.91Å; K54-I57 PolarHBondContact O-N 2.75Å; K54-S58 PolarHBondContact O-N 2.79Å
55C80.3Confident77.5Confident18 Ų1863.2 Ų63.212%0.12231%0.306CS..Hα-helixtrans-64.3-45.5175.8-71.70000111.8A20 R51 V52 C53 I57 S58 L59A20-C55 VanDerWaalsContact CB-SG 3.55Å; R51-C55 WeakPolarHBondContact O-CB 3.4Å; R51-C55 PolarHBondContact O-N 3.34Å; R51-C55 PolarHBondContact O-SG 2.91Å; V52-C55 PolarHBondContact O-N 3.17Å; C53-C55 VanDerWaalsContact C-N 3.34Å; C53-C55 PolarHBondContact O-N 2.99Å; C55-I57 VanDerWaalsContact C-N 3.32Å; C55-I57 PolarHBondContact O-N 2.92Å; C55-S58 WeakPolarHBondContact CA-OG 3.37Å; C55-S58 PolarHBondContact O-N 3.28Å; C55-S58 VanDerWaalsContact O-N 3.12Å; C55-S58 PolarHBondContact O-OG 3.13Å; C55-L59 WeakPolarHBondContact O-CG 3.09Å; C55-L59 PolarHBondContact O-N 3.04Å
56L80.2Confident78.1Confident7 Ų757.2 Ų57.24%0.03728%0.283CS..Hα-helixtrans-61.1-41.3176-69175.7000111.5L36 I39 V52 C53 S58 L59 V60 L65L36-L56 HydrophobicContact CD1-CD1 3.44Å; L36-L56 VanDerWaalsContact CD1-CD1 3.44Å; I39-L56 HydrophobicContact CG2-CD1 4.27Å; V52-L56 HydrophobicContact CG1-CD1 4.06Å; V52-L56 HydrophobicContact CG1-CG 4.35Å; V52-L56 WeakPolarHBondContact O-CG 3.18Å; V52-L56 PolarHBondContact O-N 2.82Å; C53-L56 PolarHBondContact O-N 2.7Å; L56-S58 VanDerWaalsContact C-N 3.33Å; L56-S58 PolarHBondContact O-N 3.46Å; L56-L59 PolarHBondContact O-N 3.47Å; L56-V60 WeakPolarHBondContact O-CB 3.31Å; L56-V60 VanDerWaalsContact O-CG2 3.29Å; L56-V60 WeakPolarHBondContact O-CG2 3.38Å; L56-V60 PolarHBondContact O-N 3.1Å; L56-L65 HydrophobicContact CD2-CD1 3.67Å
57I77.9Confident78.4Confident117 Ų11751.8 Ų51.860%0.626%0.261SS*.Hα-helixtrans-60-43.9173.9-68.4162.8000110.7C53 K54 C55 V60 R61C53-I57 WeakPolarHBondContact O-CD1 3.29Å; C53-I57 WeakPolarHBondContact O-CG1 3.46Å; C53-I57 PolarHBondContact O-N 3.23Å; K54-I57 PolarHBondContact O-N 2.75Å; C55-I57 VanDerWaalsContact C-N 3.32Å; C55-I57 PolarHBondContact O-N 2.92Å; I57-V60 PolarHBondContact O-N 2.72Å; I57-R61 WeakPolarHBondContact O-CB 3.4Å; I57-R61 PolarHBondContact O-N 2.82Å
58S80Confident78.2Confident40 Ų4054.1 Ų54.128%0.2827%0.271SS..Hα-helixtrans-63.2-42.1174.966.90000112.4K54 C55 L56 V60 R61 H62K54-S58 PolarHBondContact O-N 2.79Å; C55-S58 WeakPolarHBondContact CA-OG 3.37Å; C55-S58 PolarHBondContact O-N 3.28Å; C55-S58 VanDerWaalsContact O-N 3.12Å; C55-S58 PolarHBondContact O-OG 3.13Å; L56-S58 VanDerWaalsContact C-N 3.33Å; L56-S58 PolarHBondContact O-N 3.46Å; S58-V60 PolarHBondContact O-N 2.81Å; S58-R61 WeakPolarHBondContact O-CB 3.34Å; S58-R61 PolarHBondContact O-N 3.35Å; S58-R61 VanDerWaalsContact O-N 3.16Å; S58-H62 PolarHBondContact O-CD2 3.36Å; S58-H62 PolarHBondContact O-N 2.84Å
59L81.2Confident77.8Confident0 Ų052.8 Ų52.80%026%0.264CS..Hα-helixtrans-66.2-39.3179.8-70.4174.4000111.8L13 F17 A21 T25 C55 L56 H62 S63 M64 L65L13-L59 HydrophobicContact CD2-CD2 3.76Å; F17-L59 HydrophobicContact CD1-CD2 3.99Å; F17-L59 HydrophobicContact CD2-CD2 3.96Å; F17-L59 HydrophobicContact CE1-CD2 4.14Å; F17-L59 HydrophobicContact CE2-CD2 4.11Å; F17-L59 HydrophobicContact CG-CD2 3.89Å; F17-L59 HydrophobicContact CZ-CD2 4.2Å; A21-L59 HydrophobicContact CB-CD1 4.4Å; T25-L59 HydrophobicContact CG2-CD1 3.65Å; C55-L59 WeakPolarHBondContact O-CG 3.09Å; C55-L59 PolarHBondContact O-N 3.04Å; L56-L59 PolarHBondContact O-N 3.47Å; L59-H62 CarbonylContact O-C 3.4Å; L59-H62 PolarHBondContact O-N 2.81Å; L59-S63 PolarHBondContact O-N 3.37Å; L59-S63 VanDerWaalsContact O-N 3.13Å; L59-M64 HydrophobicContact CB-CB 4.28Å; L59-M64 HydrophobicContact CD2-CB 4Å; L59-M64 HydrophobicContact CD2-CG 4.22Å; L59-M64 PolarHBondContact O-N 3.33Å; L59-L65 HydrophobicContact CB-CD1 3.62Å; L59-L65 HydrophobicContact CB-CG 3.92Å; L59-L65 HydrophobicContact CD1-CD1 4.16Å
60V78.8Confident77.2Confident38 Ų3854.6 Ų54.623%0.2327%0.27CS..Hα-helixtrans-63.1-42.6172171.50000110.7L56 I57 S58 H62 S63 L65 I67 Y75L56-V60 WeakPolarHBondContact O-CB 3.31Å; L56-V60 VanDerWaalsContact O-CG2 3.29Å; L56-V60 WeakPolarHBondContact O-CG2 3.38Å; L56-V60 PolarHBondContact O-N 3.1Å; I57-V60 PolarHBondContact O-N 2.72Å; S58-V60 PolarHBondContact O-N 2.81Å; V60-H62 PolarHBondContact O-N 2.96Å; V60-S63 PolarHBondContact O-N 2.89Å; V60-L65 HydrophobicContact CG2-CB 4.14Å; V60-L65 HydrophobicContact CG2-CD1 4.1Å; V60-I67 HydrophobicContact CG1-CD1 4.06Å; V60-I67 HydrophobicContact CG2-CD1 4.11Å; V60-Y75 HydrophobicContact CG2-CE1 4.45Å
61R76.8Confident76.5Confident96 Ų9660.3 Ų60.336%0.36230%0.295SS..Hα-helixtrans-58.7-37174.6-175.8-179.7170.193.76.8111.6I57 S58 S63 F113 R115I57-R61 WeakPolarHBondContact O-CB 3.4Å; I57-R61 PolarHBondContact O-N 2.82Å; S58-R61 WeakPolarHBondContact O-CB 3.34Å; S58-R61 PolarHBondContact O-N 3.35Å; S58-R61 VanDerWaalsContact O-N 3.16Å; R61-S63 VanDerWaalsContact C-N 3.3Å; R61-S63 PolarHBondContact O-N 3.02Å; R61-F113 VanDerWaalsContact CZ-O 3.31Å; R61-F113 PolarHBondContact NE-O 3.03Å; R61-F113 PolarHBondContact NH2-O 2.92Å; R61-R115 HydrophobicContact CG-CB 4.4Å; R61-R115 WeakPolarHBondContact CG-O 3.35Å; R61-R115 PolarHBondContact NH1-O 2.99Å; R61-R115 VanDerWaalsContact NH1-O 3.16Å; R61-R115 PolarHBondContact NH2-O 3.34Å; R61-R115 WeakPolarHBondContact O-CB 3.4Å; R61-R115 VanDerWaalsContact O-CG 3.22Å; R61-R115 WeakPolarHBondContact O-CG 3.33Å; R61-R115 PolarHBondContact O-N 3.22Å
62H79.4Confident76.2Confident45 Ų4558.9 Ų58.921%0.20830%0.297CS..THydrogen-bonded Turntrans-854.2175.7-74-87.6000114.4F17 S58 L59 V60 M64 M112F17-H62 HydrophobicContact CE1-CB 4.19Å; F17-H62 AromaticContact CE1-CD2 3.47Å; F17-H62 VanDerWaalsContact CE1-CD2 3.47Å; F17-H62 WeakPolarHBondContact CE1-CD2 3.3Å; F17-H62 AromaticContact CE1-CG 3.82Å; F17-H62 AromaticContact CE1-NE2 3.99Å; F17-H62 HydrophobicContact CZ-CB 3.83Å; F17-H62 AromaticContact CZ-CD2 3.91Å; F17-H62 AromaticContact CZ-CG 3.75Å; S58-H62 PolarHBondContact O-CD2 3.36Å; S58-H62 PolarHBondContact O-N 2.84Å; L59-H62 CarbonylContact O-C 3.4Å; L59-H62 PolarHBondContact O-N 2.81Å; V60-H62 PolarHBondContact O-N 2.96Å; H62-M64 HydrophobicContact CB-CE 4Å; H62-M64 HydrophobicContact CB-CG 3.85Å; H62-M64 PolarHBondContact O-N 3.18Å; H62-M112 PolarHBondContact CE1-O 3.17Å; H62-M112 VanDerWaalsContact CE1-O 3.22Å
63S75.7Confident76Confident5 Ų562.6 Ų62.64%0.03532%0.316CS..THydrogen-bonded Turntrans60.423.5-174.8-370000114.4L59 V60 R61 L65 N78 R81 R115L59-S63 PolarHBondContact O-N 3.37Å; L59-S63 VanDerWaalsContact O-N 3.13Å; V60-S63 PolarHBondContact O-N 2.89Å; R61-S63 VanDerWaalsContact C-N 3.3Å; R61-S63 PolarHBondContact O-N 3.02Å; S63-L65 PolarHBondContact O-N 2.75Å; S63-N78 WeakPolarHBondContact O-CB 3.47Å; S63-R81 WeakPolarHBondContact O-CB 3.34Å; S63-R81 WeakPolarHBondContact O-CG 3.45Å; S63-R115 VanDerWaalsContact CB-NH2 3.33Å; S63-R115 PolarHBondContact OG-NE 3Å; S63-R115 PolarHBondContact OG-NH2 3.06Å
64M80.6Confident76Confident9 Ų964 Ų644%0.04432%0.318CS..  trans-78.7-14178.3-57.9-60.1163.100111.9F17 L59 H62 N78 R81 I82 V85F17-M64 HydrophobicContact CE2-CG 4.21Å; F17-M64 HydrophobicContact CZ-CE 4.46Å; F17-M64 HydrophobicContact CZ-CG 4.12Å; L59-M64 HydrophobicContact CB-CB 4.28Å; L59-M64 HydrophobicContact CD2-CB 4Å; L59-M64 HydrophobicContact CD2-CG 4.22Å; L59-M64 PolarHBondContact O-N 3.33Å; H62-M64 HydrophobicContact CB-CE 4Å; H62-M64 HydrophobicContact CB-CG 3.85Å; H62-M64 PolarHBondContact O-N 3.18Å; M64-N78 PolarHBondContact O-N 3.24Å; M64-R81 WeakPolarHBondContact CE-O 3.42Å; M64-R81 VanDerWaalsContact SD-C 3.57Å; M64-R81 HydrophobicContact SD-CB 3.98Å; M64-I82 HydrophobicContact CB-CG1 4.3Å; M64-I82 HydrophobicContact SD-CB 4.33Å; M64-I82 HydrophobicContact SD-CG1 3.67Å; M64-V85 HydrophobicContact CE-CG2 3.46Å; M64-V85 VanDerWaalsContact CE-CG2 3.46Å; M64-V85 HydrophobicContact SD-CG2 4.46Å
65L76.6Confident76.1Confident5 Ų558.7 Ų58.73%0.02629%0.294CS..EExtended strand (participates in β ladder)trans-119.4131176.8-65.5171.1000109.9L28 L56 L59 V60 S63 Y75 S76 L77L28-L65 HydrophobicContact CD1-CD2 3.44Å; L28-L65 VanDerWaalsContact CD1-CD2 3.44Å; L56-L65 HydrophobicContact CD2-CD1 3.67Å; L59-L65 HydrophobicContact CB-CD1 3.62Å; L59-L65 HydrophobicContact CB-CG 3.92Å; L59-L65 HydrophobicContact CD1-CD1 4.16Å; V60-L65 HydrophobicContact CG2-CB 4.14Å; V60-L65 HydrophobicContact CG2-CD1 4.1Å; S63-L65 PolarHBondContact O-N 2.75Å; L65-Y75 HydrophobicContact CD1-CD1 4.38Å; L65-S76 CarbonylContact C-O 3.54Å; L65-S76 VanDerWaalsContact CA-O 3.28Å; L65-S76 WeakPolarHBondContact CA-O 3.34Å; L65-L77 HydrophobicContact CD2-CD2 3.77Å; L65-L77 HydrophobicContact CD2-CG 4.43Å
66N76.6Confident76.1Confident49 Ų4958.7 Ų58.726%0.26229%0.294SS..EExtended strand (participates in β ladder)trans-88.8139.8165.6-69.3-11.2000108.6Y75 S76 N78N66-Y75 WeakPolarHBondContact O-CA 3.36Å; N66-S76 WeakPolarHBondContact CB-OG 3.37Å; N66-S76 PolarHBondContact N-O 3.43Å; N66-S76 PolarHBondContact O-N 2.88Å; N66-N78 WeakPolarHBondContact OD1-CB 3.43Å; N66-N78 PolarHBondContact OD1-ND2 3.11Å
67I76Confident76.3Confident50 Ų5059 Ų5926%0.25630%0.296SS..EExtended strand (participates in β ladder)trans-112.2109.1179.4-59.4175000107.2V60 L73 Y75V60-I67 HydrophobicContact CG1-CD1 4.06Å; V60-I67 HydrophobicContact CG2-CD1 4.11Å; I67-L73 HydrophobicContact CG2-CD2 3.4Å; I67-Y75 HydrophobicContact CD1-CE1 4.24Å; I67-Y75 HydrophobicContact CG1-CD1 4.11Å; I67-Y75 HydrophobicContact CG1-CE1 4.04Å
68Q71.4Confident76.6Confident71 Ų7154.5 Ų54.533%0.33227%0.273SS..EExtended strand (participates in β ladder)trans-97.3131.6173.5-69.9178.5-24.800109.3K74Q68-K74 PolarHBondContact N-O 3.29Å; Q68-K74 PolarHBondContact O-N 2.8Å
69K69.4Low76.9Confident104 Ų10455 Ų5545%0.45227%0.269SS..EExtended strand (participates in β ladder)trans-109.294.9175.9-64.3-159-162.9171.40109.7L73 S168K69-L73 HydrophobicContact CD-CD2 4.21Å; K69-L73 HydrophobicContact CG-CD2 3.88Å; K69-S168 WeakPolarHBondContact CD-O 3.14Å; K69-S168 WeakPolarHBondContact CE-O 3.42Å; K69-S168 VanDerWaalsContact NZ-CA 3.34Å; K69-S168 PolarHBondContact NZ-O 2.97Å; K69-S168 PolarHBondContact NZ-OG 2.95Å
70D63.2Low76.9Confident104 Ų10461.7 Ų61.756%0.55630%0.3SS*.SBendtrans-94.9-81.1168.7-63.3-28.2000109.5K74D70-K74 IonicContact OD2-NZ 2.73Å; D70-K74 PolarHBondContact OD2-NZ 3.2Å
71L62.9Low77.2Confident177 Ų17761.8 Ų61.893%0.92730%0.296SS*.SBendtrans-125.5-27176.4-67.8165.6000111.5
72I73Confident77.6Confident112 Ų11257.2 Ų57.257%0.57428%0.279SS*.SBendtrans-130.4143.8174.9-59171.6000105.9K74I72-K74 PolarHBondContact O-N 3.44Å
73L75.9Confident78Confident79 Ų7955.6 Ų55.641%0.41427%0.271SS..EExtended strand (participates in β ladder)trans-59.3109.1171.2-76.8154.9000109.4I67 K69 Y75I67-L73 HydrophobicContact CG2-CD2 3.4Å; K69-L73 HydrophobicContact CD-CD2 4.21Å; K69-L73 HydrophobicContact CG-CD2 3.88Å; L73-Y75 HydrophobicContact CB-CE2 4.43Å
74K79.7Confident78.4Confident74 Ų7456.2 Ų56.232%0.32227%0.273SS..EExtended strand (participates in β ladder)trans-99.9133.9172.5-68.4177-172.1159.30109.1Q68 D70 I72Q68-K74 PolarHBondContact N-O 3.29Å; Q68-K74 PolarHBondContact O-N 2.8Å; D70-K74 IonicContact OD2-NZ 2.73Å; D70-K74 PolarHBondContact OD2-NZ 3.2Å; I72-K74 PolarHBondContact O-N 3.44Å
75Y82.4Confident78.7Confident33 Ų3356.9 Ų56.913%0.12928%0.278CS..EExtended strand (participates in β ladder)trans-101.1133.8173.3-60.3-90.2000108.2L28 S33 S34 L36 I39 V60 L65 N66 I67 L73L28-Y75 WeakPolarHBondContact CD2-O 3.33Å; S33-Y75 WeakPolarHBondContact CA-O 3.45Å; S34-Y75 PolarHBondContact N-O 3.4Å; S34-Y75 PolarHBondContact O-N 2.98Å; L36-Y75 HydrophobicContact CB-CE2 3.92Å; I39-Y75 HydrophobicContact CD1-CD2 4.01Å; I39-Y75 HydrophobicContact CD1-CG 4.3Å; V60-Y75 HydrophobicContact CG2-CE1 4.45Å; L65-Y75 HydrophobicContact CD1-CD1 4.38Å; N66-Y75 WeakPolarHBondContact O-CA 3.36Å; I67-Y75 HydrophobicContact CD1-CE1 4.24Å; I67-Y75 HydrophobicContact CG1-CD1 4.11Å; I67-Y75 HydrophobicContact CG1-CE1 4.04Å; L73-Y75 HydrophobicContact CB-CE2 4.43Å
76S81.5Confident79.2Confident17 Ų1757.3 Ų57.312%0.11928%0.281CS..EExtended strand (participates in β ladder)trans-129.2152.2169.6600000110S33 L65 N66S33-S76 WeakPolarHBondContact OG-CB 3.42Å; L65-S76 CarbonylContact C-O 3.54Å; L65-S76 VanDerWaalsContact CA-O 3.28Å; L65-S76 WeakPolarHBondContact CA-O 3.34Å; N66-S76 WeakPolarHBondContact CB-OG 3.37Å; N66-S76 PolarHBondContact N-O 3.43Å; N66-S76 PolarHBondContact O-N 2.88Å
77L83.9Confident79.8Confident15 Ų1555.7 Ų55.78%0.07927%0.271CS..EExtended strand (participates in β ladder)trans-75.7131.4178.2-73166.5000110.6L13 T25 L28 C29 L65 Y79 I82L13-L77 HydrophobicContact CD1-CD2 4.26Å; T25-L77 HydrophobicContact CG2-CD2 3.76Å; L28-L77 HydrophobicContact CB-CD1 3.8Å; L28-L77 HydrophobicContact CB-CG 3.79Å; L28-L77 HydrophobicContact CD1-CD2 4.25Å; L28-L77 HydrophobicContact CD1-CG 4.12Å; C29-L77 WeakPolarHBondContact SG-CD1 3.15Å; L65-L77 HydrophobicContact CD2-CD2 3.77Å; L65-L77 HydrophobicContact CD2-CG 4.43Å; L77-Y79 HydrophobicContact CB-CE2 4.12Å; L77-Y79 PolarHBondContact O-N 3.19Å; L77-I82 HydrophobicContact CB-CD1 4.29Å; L77-I82 HydrophobicContact CD2-CD1 3.98Å
78N84.9Confident80.3Confident22 Ų2254.8 Ų54.812%0.11827%0.267CS..  trans-90.289.6170.6-169.9-35.9000109.6S63 M64 N66 E80 R81 I82S63-N78 WeakPolarHBondContact O-CB 3.47Å; M64-N78 PolarHBondContact O-N 3.24Å; N66-N78 WeakPolarHBondContact OD1-CB 3.43Å; N66-N78 PolarHBondContact OD1-ND2 3.11Å; N78-E80 VanDerWaalsContact C-N 3.3Å; N78-E80 PolarHBondContact O-N 3.21Å; N78-E80 PolarHBondContact OD1-N 3.38Å; N78-R81 HydrophobicContact CB-CB 4.18Å; N78-R81 HydrophobicContact CB-CG 4.32Å; N78-R81 PolarHBondContact O-N 3.36Å; N78-R81 WeakPolarHBondContact OD1-CG 3.48Å; N78-R81 PolarHBondContact OD1-N 3.42Å; N78-I82 VanDerWaalsContact O-CG1 3.31Å; N78-I82 WeakPolarHBondContact O-CG1 3.44Å; N78-I82 PolarHBondContact O-N 2.96Å
79Y84.9Confident81Confident50 Ų5055.6 Ų55.620%0.19628%0.278CS..Hα-helixtrans-61.1-35.6-179-67.9-78.3000113.3M1 A9 L77 R81 I82 F83M1-Y79 HydrophobicContact CE-CD1 3.93Å; M1-Y79 HydrophobicContact CE-CD2 4.4Å; M1-Y79 HydrophobicContact CE-CE1 4.46Å; M1-Y79 HydrophobicContact CE-CG 3.89Å; A9-Y79 HydrophobicContact CB-CD1 3.94Å; A9-Y79 HydrophobicContact CB-CE1 3.96Å; L77-Y79 HydrophobicContact CB-CE2 4.12Å; L77-Y79 PolarHBondContact O-N 3.19Å; Y79-R81 VanDerWaalsContact C-N 3.31Å; Y79-R81 PolarHBondContact O-N 3.29Å; Y79-I82 PolarHBondContact O-N 3.1Å; Y79-F83 HydrophobicContact CD1-CE2 4.34Å; Y79-F83 HydrophobicContact CD1-CZ 4.11Å; Y79-F83 HydrophobicContact CG-CE2 4.5Å; Y79-F83 WeakPolarHBondContact O-CD2 3.28Å; Y79-F83 VanDerWaalsContact O-CG 3.31Å; Y79-F83 WeakPolarHBondContact O-CG 3.47Å; Y79-F83 PolarHBondContact O-N 3.34Å
80E82.4Confident81.9Confident141 Ų14152.3 Ų52.366%0.65927%0.265SS*.Hα-helixtrans-59.7-44.3177.9-61.3-178.2170.600111.2N78 F84N78-E80 VanDerWaalsContact C-N 3.3Å; N78-E80 PolarHBondContact O-N 3.21Å; N78-E80 PolarHBondContact OD1-N 3.38Å; E80-F84 WeakPolarHBondContact O-CB 3.05Å; E80-F84 PolarHBondContact O-N 2.84Å
81R83.5Confident83.1Confident39 Ų3947.4 Ų47.415%0.14724%0.239CC..Hα-helixtrans-70.9-33.3177.1-68.7-84.5171.3-168.72.8112.2S63 M64 N78 Y79 F84 P254 I256S63-R81 WeakPolarHBondContact O-CB 3.34Å; S63-R81 WeakPolarHBondContact O-CG 3.45Å; M64-R81 WeakPolarHBondContact CE-O 3.42Å; M64-R81 VanDerWaalsContact SD-C 3.57Å; M64-R81 HydrophobicContact SD-CB 3.98Å; N78-R81 HydrophobicContact CB-CB 4.18Å; N78-R81 HydrophobicContact CB-CG 4.32Å; N78-R81 PolarHBondContact O-N 3.36Å; N78-R81 WeakPolarHBondContact OD1-CG 3.48Å; N78-R81 PolarHBondContact OD1-N 3.42Å; Y79-R81 VanDerWaalsContact C-N 3.31Å; Y79-R81 PolarHBondContact O-N 3.29Å; R81-F84 WeakPolarHBondContact O-CB 2.95Å; R81-F84 PolarHBondContact O-N 3.47Å; R81-P254 PolarHBondContact NH1-O 2.94Å; R81-I256 HydrophobicContact CG-CD1 3.97Å; R81-I256 VanDerWaalsContact CZ-CD1 3.45Å; R81-I256 VanDerWaalsContact NE-CD1 3.35Å; R81-I256 VanDerWaalsContact NH1-CG1 3.32Å
82I85.8Confident84.3Confident0 Ų039.2 Ų39.20%020%0.197CC..Hα-helixtrans-67-47175.4-65.4165.1000110.2A9 I12 L13 M64 L77 N78 Y79 F84 V85 P86A9-I82 HydrophobicContact CB-CD1 4.5Å; A9-I82 HydrophobicContact CB-CG2 3.93Å; I12-I82 HydrophobicContact CB-CG2 4.02Å; I12-I82 HydrophobicContact CD1-CG2 4Å; I12-I82 HydrophobicContact CG2-CG2 3.91Å; L13-I82 HydrophobicContact CD1-CD1 4.23Å; L13-I82 HydrophobicContact CD2-CD1 4.45Å; L13-I82 HydrophobicContact CD2-CG1 4.41Å; L13-I82 HydrophobicContact CG-CD1 4.49Å; M64-I82 HydrophobicContact CB-CG1 4.3Å; M64-I82 HydrophobicContact SD-CB 4.33Å; M64-I82 HydrophobicContact SD-CG1 3.67Å; L77-I82 HydrophobicContact CB-CD1 4.29Å; L77-I82 HydrophobicContact CD2-CD1 3.98Å; N78-I82 VanDerWaalsContact O-CG1 3.31Å; N78-I82 WeakPolarHBondContact O-CG1 3.44Å; N78-I82 PolarHBondContact O-N 2.96Å; Y79-I82 PolarHBondContact O-N 3.1Å; I82-F84 PolarHBondContact O-N 3.27Å; I82-V85 WeakPolarHBondContact O-CB 3.32Å; I82-V85 PolarHBondContact O-N 3.33Å; I82-P86 WeakPolarHBondContact O-CD 3.3Å
83F87.8Confident85Confident11 Ų1141.3 Ų41.35%0.04820%0.201CC..Hα-helixtrans-73-14.4178-57.1-40.6000113.7M1 A5 Y8 A9 I12 Y79 V85 P86 R87 W556M1-F83 HydrophobicContact CE-CE2 3.7Å; M1-F83 HydrophobicContact CE-CZ 3.94Å; A5-F83 HydrophobicContact CB-CZ 4.01Å; A5-F83 WeakPolarHBondContact O-CZ 3.35Å; Y8-F83 AromaticContact CD1-CD1 3.83Å; Y8-F83 HydrophobicContact CD1-CD1 3.83Å; Y8-F83 AromaticContact CD1-CE1 3.7Å; Y8-F83 HydrophobicContact CD1-CE1 3.7Å; Y8-F83 HydrophobicContact CE1-CD1 4.05Å; Y8-F83 HydrophobicContact CE1-CE1 4.39Å; Y8-F83 HydrophobicContact CG-CE1 4.5Å; A9-F83 HydrophobicContact CB-CE1 4.02Å; A9-F83 HydrophobicContact CB-CZ 4.32Å; I12-F83 HydrophobicContact CD1-CD1 3.95Å; I12-F83 HydrophobicContact CD1-CE1 4.48Å; Y79-F83 HydrophobicContact CD1-CE2 4.34Å; Y79-F83 HydrophobicContact CD1-CZ 4.11Å; Y79-F83 HydrophobicContact CG-CE2 4.5Å; Y79-F83 WeakPolarHBondContact O-CD2 3.28Å; Y79-F83 VanDerWaalsContact O-CG 3.31Å; Y79-F83 WeakPolarHBondContact O-CG 3.47Å; Y79-F83 PolarHBondContact O-N 3.34Å; F83-V85 VanDerWaalsContact C-N 3.33Å; F83-P86 WeakPolarHBondContact O-CD 3.34Å; F83-P86 WeakPolarHBondContact O-CG 3.23Å; F83-R87 WeakPolarHBondContact O-CD 3.43Å; F83-R87 WeakPolarHBondContact O-CG 3.39Å; F83-W556 HydrophobicContact CB-CH2 4.22Å; F83-W556 AromaticContact CD1-CH2 3.85Å; F83-W556 HydrophobicContact CD1-CH2 3.85Å; F83-W556 AromaticContact CD2-CH2 3.56Å; F83-W556 HydrophobicContact CD2-CH2 3.56Å; F83-W556 AromaticContact CD2-CZ2 3.74Å; F83-W556 HydrophobicContact CD2-CZ2 3.74Å; F83-W556 HydrophobicContact CE1-CH2 4.08Å; F83-W556 AromaticContact CE2-CH2 3.79Å; F83-W556 HydrophobicContact CE2-CH2 3.79Å; F83-W556 AromaticContact CE2-CZ2 3.93Å; F83-W556 HydrophobicContact CE2-CZ2 3.93Å; F83-W556 AromaticContact CG-CH2 3.61Å; F83-W556 HydrophobicContact CG-CH2 3.61Å; F83-W556 HydrophobicContact CG-CZ2 4.22Å; F83-W556 HydrophobicContact CG-CZ3 4.46Å; F83-W556 HydrophobicContact CZ-CH2 4.06Å
84F85.1Confident85.6Confident18 Ų1838.3 Ų38.38%0.07919%0.186CC..Hα-helixtrans-66.7-33.3169.7177.6-96.8000112.6E80 R81 I82 R87 L88 F91 P254 I256 L259E80-F84 WeakPolarHBondContact O-CB 3.05Å; E80-F84 PolarHBondContact O-N 2.84Å; R81-F84 WeakPolarHBondContact O-CB 2.95Å; R81-F84 PolarHBondContact O-N 3.47Å; I82-F84 PolarHBondContact O-N 3.27Å; F84-R87 CarbonylContact O-C 3.5Å; F84-R87 WeakPolarHBondContact O-CA 3.5Å; F84-R87 PolarHBondContact O-N 3.28Å; F84-L88 HydrophobicContact CE1-CD1 3.97Å; F84-L88 HydrophobicContact CZ-CD1 4.09Å; F84-L88 PolarHBondContact O-N 2.87Å; F84-F91 AromaticContact CD2-CD2 3.69Å; F84-F91 HydrophobicContact CD2-CD2 3.69Å; F84-F91 AromaticContact CD2-CE2 3.35Å; F84-F91 HydrophobicContact CD2-CE2 3.35Å; F84-F91 HydrophobicContact CD2-CZ 4.35Å; F84-F91 AromaticContact CE2-CD2 3.18Å; F84-F91 HydrophobicContact CE2-CD2 3.18Å; F84-F91 AromaticContact CE2-CE2 3.31Å; F84-F91 HydrophobicContact CE2-CE2 3.31Å; F84-F91 HydrophobicContact CE2-CG 4.1Å; F84-F91 HydrophobicContact CE2-CZ 4.31Å; F84-F91 HydrophobicContact CG-CE2 4.45Å; F84-F91 AromaticContact CZ-CD2 3.87Å; F84-F91 HydrophobicContact CZ-CD2 3.87Å; F84-F91 HydrophobicContact CZ-CE2 4.38Å; F84-P254 HydrophobicContact CZ-CB 4.39Å; F84-I256 HydrophobicContact CB-CD1 3.75Å; F84-I256 HydrophobicContact CB-CG1 4.4Å; F84-I256 HydrophobicContact CD2-CD1 3.87Å; F84-I256 HydrophobicContact CD2-CG1 3.54Å; F84-I256 HydrophobicContact CE2-CG1 3.88Å; F84-I256 HydrophobicContact CG-CD1 3.82Å; F84-I256 HydrophobicContact CG-CG1 3.96Å; F84-L259 HydrophobicContact CE2-CD1 3.6Å; F84-L259 HydrophobicContact CZ-CD1 3.65Å
85V86.6Confident85.9Confident24 Ų2434.8 Ų34.815%0.14517%0.17CC..Hα-helixtrans-55.2-53.1-177.8-178.30000113.2I12 Y16 M64 I82 F83 R87 L88I12-V85 HydrophobicContact CG2-CB 4.14Å; I12-V85 HydrophobicContact CG2-CG1 4.41Å; I12-V85 HydrophobicContact CG2-CG2 4.49Å; Y16-V85 HydrophobicContact CD1-CG1 4.19Å; Y16-V85 HydrophobicContact CD2-CG1 3.65Å; Y16-V85 HydrophobicContact CE1-CG1 4.1Å; Y16-V85 HydrophobicContact CE2-CG1 3.57Å; Y16-V85 HydrophobicContact CG-CG1 3.98Å; M64-V85 HydrophobicContact CE-CG2 3.46Å; M64-V85 VanDerWaalsContact CE-CG2 3.46Å; M64-V85 HydrophobicContact SD-CG2 4.46Å; I82-V85 WeakPolarHBondContact O-CB 3.32Å; I82-V85 PolarHBondContact O-N 3.33Å; F83-V85 VanDerWaalsContact C-N 3.33Å; V85-R87 PolarHBondContact O-N 3.45Å; V85-L88 VanDerWaalsContact O-CB 3.22Å; V85-L88 WeakPolarHBondContact O-CB 3.45Å; V85-L88 PolarHBondContact O-N 3.47Å
86P85.6Confident86.2Confident13 Ų1338 Ų388%0.08419%0.185CC..Hα-helixtrans-67.8-23.6176.927-36.4000113.3Y8 I12 I82 F83 L88 P89Y8-P86 HydrophobicContact CE1-CG 4.5Å; Y8-P86 WeakPolarHBondContact OH-CG 3.46Å; I12-P86 HydrophobicContact CD1-CG 3.94Å; I82-P86 WeakPolarHBondContact O-CD 3.3Å; F83-P86 WeakPolarHBondContact O-CD 3.34Å; F83-P86 WeakPolarHBondContact O-CG 3.23Å; P86-L88 VanDerWaalsContact C-N 3.35Å; P86-P89 WeakPolarHBondContact O-CD 3.48Å
87R89.2Confident86.4Confident16 Ų1642.8 Ų42.86%0.0621%0.206CC..Hα-helixtrans-81.1-14.2176.3-61.6174.1-171.7177.82.3112.9F83 F84 V85 P89 L90 F91 E260F83-R87 WeakPolarHBondContact O-CD 3.43Å; F83-R87 WeakPolarHBondContact O-CG 3.39Å; F84-R87 CarbonylContact O-C 3.5Å; F84-R87 WeakPolarHBondContact O-CA 3.5Å; F84-R87 PolarHBondContact O-N 3.28Å; V85-R87 PolarHBondContact O-N 3.45Å; R87-P89 VanDerWaalsContact C-CD 3.49Å; R87-L90 WeakPolarHBondContact O-CA 3.38Å; R87-L90 VanDerWaalsContact O-CB 3.25Å; R87-L90 WeakPolarHBondContact O-CB 3.27Å; R87-L90 PolarHBondContact O-N 2.96Å; R87-F91 HydrophobicContact CB-CD2 3.99Å; R87-F91 HydrophobicContact CB-CE2 3.45Å; R87-F91 VanDerWaalsContact CB-CE2 3.45Å; R87-F91 HydrophobicContact CB-CZ 4.16Å; R87-F91 WeakPolarHBondContact O-CD2 3.19Å; R87-F91 PolarHBondContact O-N 3.49Å; R87-E260 IonicContact NH1-OE1 3.48Å
88L86.7Confident86.4Confident31 Ų3145.1 Ų45.116%0.16221%0.214CC..Hα-helixtrans-51.8-45.8-176.9177.664.1000113.9F84 V85 P86 L90 F91 C92 S111F84-L88 HydrophobicContact CE1-CD1 3.97Å; F84-L88 HydrophobicContact CZ-CD1 4.09Å; F84-L88 PolarHBondContact O-N 2.87Å; V85-L88 VanDerWaalsContact O-CB 3.22Å; V85-L88 WeakPolarHBondContact O-CB 3.45Å; V85-L88 PolarHBondContact O-N 3.47Å; P86-L88 VanDerWaalsContact C-N 3.35Å; L88-L90 PolarHBondContact O-N 3.39Å; L88-F91 PolarHBondContact O-N 2.85Å; L88-F91 VanDerWaalsContact O-N 3.13Å; L88-C92 PolarHBondContact O-N 3.5Å; L88-C92 PolarHBondContact O-SG 3.37Å; L88-C92 VanDerWaalsContact O-SG 3.32Å; L88-S111 WeakPolarHBondContact CD1-OG 3.45Å; L88-S111 VanDerWaalsContact CD2-CB 3.47Å
89P87.2Confident86.4Confident87 Ų8747.4 Ų47.457%0.56522%0.221SC*.Hα-helixtrans-59.2-32.2177.6-24.235.7000113.4P86 R87 K93P86-P89 WeakPolarHBondContact O-CD 3.48Å; R87-P89 VanDerWaalsContact C-CD 3.49Å; P89-K93 PolarHBondContact O-N 3.01Å; P89-K93 VanDerWaalsContact O-N 3.08Å
90L87.9Confident86.4Confident36 Ų3646.3 Ų46.319%0.18823%0.225CC..Hα-helixtrans-69.2-45.3176.8-53.3175.1000110.7R87 L88 C92 K93 L94 W263 Y550R87-L90 WeakPolarHBondContact O-CA 3.38Å; R87-L90 VanDerWaalsContact O-CB 3.25Å; R87-L90 WeakPolarHBondContact O-CB 3.27Å; R87-L90 PolarHBondContact O-N 2.96Å; L88-L90 PolarHBondContact O-N 3.39Å; L90-C92 VanDerWaalsContact C-N 3.34Å; L90-C92 PolarHBondContact O-N 2.87Å; L90-K93 WeakPolarHBondContact O-CB 3.41Å; L90-K93 PolarHBondContact O-N 3.18Å; L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 3.27Å; L90-W263 HydrophobicContact CD1-CH2 4.46Å; L90-W263 HydrophobicContact CD1-CZ2 4.31Å; L90-Y550 HydrophobicContact CD1-CD2 3.6Å; L90-Y550 HydrophobicContact CD1-CE2 4.04Å; L90-Y550 HydrophobicContact CD2-CD2 3.29Å; L90-Y550 HydrophobicContact CD2-CE2 3.8Å; L90-Y550 HydrophobicContact CD2-CG 4.23Å; L90-Y550 HydrophobicContact CG-CD2 4.04Å; L90-Y550 HydrophobicContact CG-CE2 4.42Å
91F89.1Confident86.6Confident1 Ų146.3 Ų46.30%0.00422%0.223CC..Hα-helixtrans-65-37.9176.6-63.6-51.5000112.2F84 R87 L88 K93 L94 V95 L259 W263F84-F91 AromaticContact CD2-CD2 3.69Å; F84-F91 HydrophobicContact CD2-CD2 3.69Å; F84-F91 AromaticContact CD2-CE2 3.35Å; F84-F91 HydrophobicContact CD2-CE2 3.35Å; F84-F91 HydrophobicContact CD2-CZ 4.35Å; F84-F91 AromaticContact CE2-CD2 3.18Å; F84-F91 HydrophobicContact CE2-CD2 3.18Å; F84-F91 AromaticContact CE2-CE2 3.31Å; F84-F91 HydrophobicContact CE2-CE2 3.31Å; F84-F91 HydrophobicContact CE2-CG 4.1Å; F84-F91 HydrophobicContact CE2-CZ 4.31Å; F84-F91 HydrophobicContact CG-CE2 4.45Å; F84-F91 AromaticContact CZ-CD2 3.87Å; F84-F91 HydrophobicContact CZ-CD2 3.87Å; F84-F91 HydrophobicContact CZ-CE2 4.38Å; R87-F91 HydrophobicContact CB-CD2 3.99Å; R87-F91 HydrophobicContact CB-CE2 3.45Å; R87-F91 VanDerWaalsContact CB-CE2 3.45Å; R87-F91 HydrophobicContact CB-CZ 4.16Å; R87-F91 WeakPolarHBondContact O-CD2 3.19Å; R87-F91 PolarHBondContact O-N 3.49Å; L88-F91 PolarHBondContact O-N 2.85Å; L88-F91 VanDerWaalsContact O-N 3.13Å; F91-K93 VanDerWaalsContact C-N 3.33Å; F91-K93 PolarHBondContact O-N 3.29Å; F91-L94 HydrophobicContact CD1-CD1 4Å; F91-L94 WeakPolarHBondContact O-CB 3.37Å; F91-L94 PolarHBondContact O-N 3.49Å; F91-V95 WeakPolarHBondContact O-CG2 3.5Å; F91-V95 PolarHBondContact O-N 3.36Å; F91-L259 HydrophobicContact CB-CD1 4.16Å; F91-L259 HydrophobicContact CB-CD2 4.22Å; F91-L259 HydrophobicContact CD1-CB 3.7Å; F91-L259 HydrophobicContact CD2-CD1 4.49Å; F91-L259 HydrophobicContact CE1-CB 3.93Å; F91-L259 HydrophobicContact CG-CB 4.09Å; F91-L259 HydrophobicContact CG-CD1 4.21Å; F91-L259 HydrophobicContact CZ-CB 4.48Å; F91-W263 HydrophobicContact CE1-CB 4.19Å; F91-W263 HydrophobicContact CE1-CD2 4.39Å; F91-W263 AromaticContact CE1-CE3 3.93Å; F91-W263 HydrophobicContact CE1-CE3 3.93Å; F91-W263 HydrophobicContact CZ-CE3 4.06Å; F91-W263 HydrophobicContact CZ-CZ3 4.45Å
92C87.6Confident86.6Confident5 Ų546 Ų463%0.03423%0.225CC..Hα-helixtrans-59.8-43.4172-70.10000111.6L88 L90 L94 V95 F96 E104 I108L88-C92 PolarHBondContact O-N 3.5Å; L88-C92 PolarHBondContact O-SG 3.37Å; L88-C92 VanDerWaalsContact O-SG 3.32Å; L90-C92 VanDerWaalsContact C-N 3.34Å; L90-C92 PolarHBondContact O-N 2.87Å; C92-L94 VanDerWaalsContact C-N 3.35Å; C92-L94 PolarHBondContact O-N 2.86Å; C92-V95 PolarHBondContact O-N 3.29Å; C92-F96 WeakPolarHBondContact O-CB 3.35Å; C92-F96 PolarHBondContact O-N 2.96Å; C92-E104 HydrophobicContact CB-CG 4.09Å; C92-I108 HydrophobicContact CB-CG1 4.35Å; C92-I108 VanDerWaalsContact SG-CG1 3.52Å
93K87.6Confident86.6Confident155 Ų15546 Ų4667%0.67423%0.225SC*.Hα-helixtrans-64.3-37.4175.1-173.5176.7-179.5179.70112.7P89 L90 F91 H97P89-K93 PolarHBondContact O-N 3.01Å; P89-K93 VanDerWaalsContact O-N 3.08Å; L90-K93 WeakPolarHBondContact O-CB 3.41Å; L90-K93 PolarHBondContact O-N 3.18Å; F91-K93 VanDerWaalsContact C-N 3.33Å; F91-K93 PolarHBondContact O-N 3.29Å; K93-H97 PolarHBondContact O-N 2.88Å; K93-H97 VanDerWaalsContact O-N 3.11Å
94L87.7Confident86.5Confident16 Ų1648.1 Ų48.18%0.08424%0.235CC..Hα-helixtrans-64.2-48173.8-72.1168.6000110.7L90 F91 C92 F96 H97 Y98 W263 R266L90-L94 WeakPolarHBondContact O-CG 3.47Å; L90-L94 PolarHBondContact O-N 3.27Å; F91-L94 HydrophobicContact CD1-CD1 4Å; F91-L94 WeakPolarHBondContact O-CB 3.37Å; F91-L94 PolarHBondContact O-N 3.49Å; C92-L94 VanDerWaalsContact C-N 3.35Å; C92-L94 PolarHBondContact O-N 2.86Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.26Å; L94-H97 WeakPolarHBondContact O-CB 3.39Å; L94-H97 PolarHBondContact O-N 3.14Å; L94-H97 VanDerWaalsContact O-N 3.1Å; L94-Y98 VanDerWaalsContact O-CD2 3.23Å; L94-Y98 WeakPolarHBondContact O-CD2 3.38Å; L94-Y98 PolarHBondContact O-N 3.35Å; L94-Y98 VanDerWaalsContact O-N 3.11Å; L94-W263 HydrophobicContact CD1-CB 3.74Å; L94-W263 HydrophobicContact CD1-CG 3.98Å; L94-R266 HydrophobicContact CD2-CB 3.9Å; L94-R266 HydrophobicContact CD2-CG 3.82Å
95V87Confident86.4Confident0 Ų049.1 Ų49.10%024%0.24CC..Hα-helixtrans-62.7-39.5178171.50000111.5F91 C92 H97 Y98 Y99 G100 A103 M107 L153 V158 L259 M262F91-V95 WeakPolarHBondContact O-CG2 3.5Å; F91-V95 PolarHBondContact O-N 3.36Å; C92-V95 PolarHBondContact O-N 3.29Å; V95-H97 VanDerWaalsContact C-N 3.29Å; V95-H97 PolarHBondContact O-N 2.92Å; V95-Y98 PolarHBondContact O-N 3.37Å; V95-Y99 HydrophobicContact CG1-CD2 4.04Å; V95-Y99 PolarHBondContact O-N 3.15Å; V95-G100 PolarHBondContact O-N 2.95Å; V95-A103 HydrophobicContact CG1-CB 3.51Å; V95-M107 HydrophobicContact CB-CG 4.19Å; V95-M107 HydrophobicContact CG1-CG 3.74Å; V95-M107 HydrophobicContact CG2-CE 4.48Å; V95-M107 HydrophobicContact CG2-CG 4.04Å; V95-L153 HydrophobicContact CG1-CD2 4.41Å; V95-V158 HydrophobicContact CG2-CG1 4.41Å; V95-L259 HydrophobicContact CG2-CD2 3.88Å; V95-M262 HydrophobicContact CG2-CE 4.49Å
96F89Confident86.2Confident100 Ų10048 Ų4844%0.43923%0.233SC..Hα-helixtrans-55.5-45.1172.4174.3-96.8000111.8C92 L94 G100 K101 E104C92-F96 WeakPolarHBondContact O-CB 3.35Å; C92-F96 PolarHBondContact O-N 2.96Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.26Å; F96-G100 WeakPolarHBondContact O-CA 3.48Å; F96-G100 PolarHBondContact O-N 3.46Å; F96-K101 HydrophobicContact CD2-CB 4.41Å; F96-K101 HydrophobicContact CE2-CB 4.09Å; F96-E104 HydrophobicContact CB-CB 4.05Å; F96-E104 HydrophobicContact CB-CG 4.26Å; F96-E104 HydrophobicContact CD2-CB 4.38Å; F96-E104 VanDerWaalsContact CD2-OE2 3.24Å; F96-E104 WeakPolarHBondContact CD2-OE2 3.41Å
97H84.7Confident86.1Confident119 Ų11947.3 Ų47.355%0.55123%0.229SC*.Hα-helixtrans-66.1-40.2-178.7-175.3-87.5000113K93 L94 V95K93-H97 PolarHBondContact O-N 2.88Å; K93-H97 VanDerWaalsContact O-N 3.11Å; L94-H97 WeakPolarHBondContact O-CB 3.39Å; L94-H97 PolarHBondContact O-N 3.14Å; L94-H97 VanDerWaalsContact O-N 3.1Å; V95-H97 VanDerWaalsContact C-N 3.29Å; V95-H97 PolarHBondContact O-N 2.92Å
98Y83.4Confident85.8Confident63 Ų6349.4 Ų49.425%0.24724%0.241CC..Hα-helixtrans-88.2-34.5-176.1-72.5-73000114.3L94 V95 M262 C289L94-Y98 VanDerWaalsContact O-CD2 3.23Å; L94-Y98 WeakPolarHBondContact O-CD2 3.38Å; L94-Y98 PolarHBondContact O-N 3.35Å; L94-Y98 VanDerWaalsContact O-N 3.11Å; V95-Y98 PolarHBondContact O-N 3.37Å; Y98-M262 HydrophobicContact CD2-CE 3.31Å; Y98-M262 HydrophobicContact CE2-CE 4.01Å; Y98-M262 HydrophobicContact CG-CE 3.9Å; Y98-C289 VanDerWaalsContact CE1-SG 3.57Å
99Y84.7Confident85.5Confident71 Ų7149 Ų4928%0.27824%0.237SC..Hα-helixtrans-122-9.9-171.1-59-81.1000113.9V95 A103 L153 T156 V158 M262V95-Y99 HydrophobicContact CG1-CD2 4.04Å; V95-Y99 PolarHBondContact O-N 3.15Å; Y99-A103 HydrophobicContact CG-CB 4.44Å; Y99-L153 HydrophobicContact CD1-CD2 4.18Å; Y99-L153 HydrophobicContact CD2-CD2 3.8Å; Y99-L153 HydrophobicContact CE1-CD2 4.32Å; Y99-L153 HydrophobicContact CE2-CD2 3.93Å; Y99-L153 HydrophobicContact CG-CD2 3.92Å; Y99-T156 HydrophobicContact CE1-CG2 4.12Å; Y99-T156 VanDerWaalsContact OH-CB 3.24Å; Y99-T156 WeakPolarHBondContact OH-CB 3.34Å; Y99-T156 WeakPolarHBondContact OH-CG2 3.37Å; Y99-T156 PolarHBondContact OH-OG1 2.59Å; Y99-V158 HydrophobicContact CE2-CG2 4.06Å; Y99-M262 HydrophobicContact CD2-CE 4.42Å; Y99-M262 HydrophobicContact CE2-CE 3.8Å; Y99-M262 HydrophobicContact CE2-SD 4.38Å
100G86.3Confident85.3Confident27 Ų2744.8 Ų44.828%0.27821%0.21SC..  trans91.3-173.5176.400000115.3V95 F96 V102 A103 E104V95-G100 PolarHBondContact O-N 2.95Å; F96-G100 WeakPolarHBondContact O-CA 3.48Å; F96-G100 PolarHBondContact O-N 3.46Å; G100-V102 PolarHBondContact O-N 3.11Å; G100-A103 WeakPolarHBondContact O-CB 3.33Å; G100-A103 PolarHBondContact O-N 2.91Å; G100-E104 PolarHBondContact O-N 3.43Å
101K85.8Confident84.9Confident141 Ų14144 Ų4461%0.61321%0.207SC*.Hα-helixtrans-65.3-38.8-169.2-170.4176.8-179.8-179.20114.5F96 A103 E104 Q105F96-K101 HydrophobicContact CD2-CB 4.41Å; F96-K101 HydrophobicContact CE2-CB 4.09Å; K101-A103 VanDerWaalsContact C-N 3.28Å; K101-A103 PolarHBondContact O-N 2.84Å; K101-E104 PolarHBondContact O-N 3.39Å; K101-Q105 WeakPolarHBondContact O-CG 3.38Å; K101-Q105 PolarHBondContact O-N 3.28Å
102V84Confident84.3Confident31 Ų3148.3 Ų48.319%0.18823%0.229CC..Hα-helixtrans-66.4-36.2-179.8-179.50000110.5G100 Q105 A106 Y142 A145 L146G100-V102 PolarHBondContact O-N 3.11Å; V102-Q105 PolarHBondContact O-N 3.31Å; V102-A106 WeakPolarHBondContact O-CB 3.33Å; V102-A106 PolarHBondContact O-N 2.87Å; V102-Y142 HydrophobicContact CG1-CE2 4.26Å; V102-Y142 HydrophobicContact CG2-CE2 4.37Å; V102-A145 HydrophobicContact CG2-CB 4.11Å; V102-L146 HydrophobicContact CG1-CB 4.29Å; V102-L146 HydrophobicContact CG1-CD1 4.16Å
103A85.1Confident83.5Confident0 Ų050.8 Ų50.80%024%0.239CC..Hα-helixtrans-67.5-42.4177.300000112.2V95 Y99 G100 K101 Q105 A106 M107 T149 L153V95-A103 HydrophobicContact CG1-CB 3.51Å; Y99-A103 HydrophobicContact CG-CB 4.44Å; G100-A103 WeakPolarHBondContact O-CB 3.33Å; G100-A103 PolarHBondContact O-N 2.91Å; K101-A103 VanDerWaalsContact C-N 3.28Å; K101-A103 PolarHBondContact O-N 2.84Å; A103-Q105 VanDerWaalsContact C-N 3.33Å; A103-Q105 PolarHBondContact O-N 3.42Å; A103-A106 PolarHBondContact O-N 3.41Å; A103-M107 WeakPolarHBondContact O-CB 3.45Å; A103-M107 VanDerWaalsContact O-CG 3.25Å; A103-M107 WeakPolarHBondContact O-CG 3.43Å; A103-M107 PolarHBondContact O-N 2.81Å; A103-T149 VanDerWaalsContact CA-CG2 3.48Å; A103-T149 HydrophobicContact CB-CG2 3.47Å; A103-T149 VanDerWaalsContact CB-CG2 3.47Å; A103-L153 HydrophobicContact CB-CD1 4.3Å
104E85.3Confident82.7Confident57 Ų5743.8 Ų43.827%0.26621%0.211SC..Hα-helixtrans-57-47.5174.4-174.4-171.6-173.400111.4C92 F96 G100 K101 M107 I108C92-E104 HydrophobicContact CB-CG 4.09Å; F96-E104 HydrophobicContact CB-CB 4.05Å; F96-E104 HydrophobicContact CB-CG 4.26Å; F96-E104 HydrophobicContact CD2-CB 4.38Å; F96-E104 VanDerWaalsContact CD2-OE2 3.24Å; F96-E104 WeakPolarHBondContact CD2-OE2 3.41Å; G100-E104 PolarHBondContact O-N 3.43Å; K101-E104 PolarHBondContact O-N 3.39Å; E104-M107 PolarHBondContact O-N 2.83Å; E104-I108 HydrophobicContact CG-CD1 4.04Å; E104-I108 VanDerWaalsContact O-CG1 3.3Å; E104-I108 WeakPolarHBondContact O-CG1 3.49Å; E104-I108 PolarHBondContact O-N 3.45Å
105Q83.3Confident81.9Confident38 Ų3846.2 Ų46.218%0.17822%0.219CC..Hα-helixtrans-62.2-47.8178.6-69.3179.72.100111.6K101 V102 A103 M107 I108 Y109 H129K101-Q105 WeakPolarHBondContact O-CG 3.38Å; K101-Q105 PolarHBondContact O-N 3.28Å; V102-Q105 PolarHBondContact O-N 3.31Å; A103-Q105 VanDerWaalsContact C-N 3.33Å; A103-Q105 PolarHBondContact O-N 3.42Å; Q105-M107 VanDerWaalsContact C-N 3.3Å; Q105-M107 PolarHBondContact O-N 2.91Å; Q105-I108 PolarHBondContact O-N 3.09Å; Q105-Y109 HydrophobicContact CB-CE2 4.08Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.28Å; Q105-Y109 PolarHBondContact O-N 3.38Å; Q105-H129 PolarHBondContact OE1-ND1 3.2Å
106A82.7Confident80.9Confident0 Ų046.3 Ų46.30%022%0.22CC..Hα-helixtrans-56.9-44.6175.900000111.4V102 A103 Y109 F110 L146V102-A106 WeakPolarHBondContact O-CB 3.33Å; V102-A106 PolarHBondContact O-N 2.87Å; A103-A106 PolarHBondContact O-N 3.41Å; A106-Y109 PolarHBondContact O-N 2.94Å; A106-F110 HydrophobicContact CB-CD2 4.47Å; A106-F110 HydrophobicContact CB-CE2 4.05Å; A106-F110 HydrophobicContact CB-CZ 4.31Å; A106-F110 WeakPolarHBondContact O-CB 3.31Å; A106-F110 WeakPolarHBondContact O-CD2 3.25Å; A106-F110 WeakPolarHBondContact O-CG 3.31Å; A106-F110 PolarHBondContact O-N 3.15Å; A106-L146 HydrophobicContact CB-CD1 4.24Å
107M83.4Confident79.9Confident0 Ų042.8 Ų42.80%021%0.208CC..Hα-helixtrans-64.1-41177.6-73.4-60.3-65.700113.4V95 A103 E104 Q105 S111 L153 V158 L159 P254 L259V95-M107 HydrophobicContact CB-CG 4.19Å; V95-M107 HydrophobicContact CG1-CG 3.74Å; V95-M107 HydrophobicContact CG2-CE 4.48Å; V95-M107 HydrophobicContact CG2-CG 4.04Å; A103-M107 WeakPolarHBondContact O-CB 3.45Å; A103-M107 VanDerWaalsContact O-CG 3.25Å; A103-M107 WeakPolarHBondContact O-CG 3.43Å; A103-M107 PolarHBondContact O-N 2.81Å; E104-M107 PolarHBondContact O-N 2.83Å; Q105-M107 VanDerWaalsContact C-N 3.3Å; Q105-M107 PolarHBondContact O-N 2.91Å; M107-S111 VanDerWaalsContact O-CB 3.23Å; M107-S111 WeakPolarHBondContact O-CB 3.33Å; M107-S111 PolarHBondContact O-N 2.96Å; M107-S111 PolarHBondContact O-OG 3.4Å; M107-L153 HydrophobicContact SD-CD1 4.48Å; M107-V158 HydrophobicContact CE-CG1 4.12Å; M107-V158 HydrophobicContact SD-CG1 4Å; M107-L159 HydrophobicContact SD-CD2 3.77Å; M107-L159 HydrophobicContact SD-CG 4.42Å; M107-P254 HydrophobicContact CE-CB 3.84Å; M107-P254 HydrophobicContact CE-CG 3.98Å; M107-L259 HydrophobicContact CE-CD1 3.95Å; M107-L259 HydrophobicContact CE-CD2 4.24Å
108I84.1Confident79Confident59 Ų5937.2 Ų37.230%0.30318%0.182SC..Hα-helixtrans-60.9-47175.1-69.8166.3000109.7C92 E104 Q105 S111 M112C92-I108 HydrophobicContact CB-CG1 4.35Å; C92-I108 VanDerWaalsContact SG-CG1 3.52Å; E104-I108 HydrophobicContact CG-CD1 4.04Å; E104-I108 VanDerWaalsContact O-CG1 3.3Å; E104-I108 WeakPolarHBondContact O-CG1 3.49Å; E104-I108 PolarHBondContact O-N 3.45Å; Q105-I108 PolarHBondContact O-N 3.09Å; I108-S111 PolarHBondContact O-N 3.07Å; I108-M112 HydrophobicContact CG2-CE 3.76Å; I108-M112 HydrophobicContact CG2-CG 4.5Å; I108-M112 HydrophobicContact CG2-SD 4.25Å; I108-M112 WeakPolarHBondContact O-CB 3.42Å; I108-M112 VanDerWaalsContact O-CG 3.31Å; I108-M112 WeakPolarHBondContact O-CG 3.32Å; I108-M112 PolarHBondContact O-N 3.29Å
109Y80.4Confident78.2Confident22 Ų2234.4 Ų34.49%0.08617%0.172CC..Hα-helixtrans-64.8-49.6178.6-61.3-43.3000111.9Q105 A106 S111 M112 F113 C125 K128Q105-Y109 HydrophobicContact CB-CE2 4.08Å; Q105-Y109 WeakPolarHBondContact O-CD2 3.28Å; Q105-Y109 PolarHBondContact O-N 3.38Å; A106-Y109 PolarHBondContact O-N 2.94Å; Y109-S111 PolarHBondContact O-N 2.78Å; Y109-M112 HydrophobicContact CD1-CE 3.49Å; Y109-M112 VanDerWaalsContact CD1-CE 3.49Å; Y109-M112 HydrophobicContact CE1-CE 3.96Å; Y109-M112 PolarHBondContact O-N 3.07Å; Y109-M112 VanDerWaalsContact O-N 3.14Å; Y109-F113 VanDerWaalsContact O-CD2 3.28Å; Y109-F113 WeakPolarHBondContact O-CD2 3.46Å; Y109-F113 PolarHBondContact O-N 2.85Å; Y109-C125 HydrophobicContact CD2-CB 3.95Å; Y109-C125 VanDerWaalsContact CD2-SG 3.53Å; Y109-C125 HydrophobicContact CE2-CB 4.43Å; Y109-K128 HydrophobicContact CD1-CD 4.32Å; Y109-K128 HydrophobicContact CE1-CD 3.43Å; Y109-K128 VanDerWaalsContact CE1-CD 3.43Å; Y109-K128 HydrophobicContact CE1-CG 4.23Å
110F81.5Confident77.5Confident0 Ų035.9 Ų35.90%018%0.184CC..Hα-helixtrans-60.6-34.7179.3-62.3-16.7000112.1A106 G114 L121 L122 V150 L159A106-F110 HydrophobicContact CB-CD2 4.47Å; A106-F110 HydrophobicContact CB-CE2 4.05Å; A106-F110 HydrophobicContact CB-CZ 4.31Å; A106-F110 WeakPolarHBondContact O-CB 3.31Å; A106-F110 WeakPolarHBondContact O-CD2 3.25Å; A106-F110 WeakPolarHBondContact O-CG 3.31Å; A106-F110 PolarHBondContact O-N 3.15Å; F110-G114 PolarHBondContact O-N 3.33Å; F110-G114 VanDerWaalsContact O-N 3.14Å; F110-L121 HydrophobicContact CD1-CB 3.66Å; F110-L121 HydrophobicContact CD1-CD1 3.74Å; F110-L121 HydrophobicContact CD1-CD2 4.16Å; F110-L121 HydrophobicContact CD1-CG 4.07Å; F110-L121 HydrophobicContact CE1-CB 3.46Å; F110-L121 VanDerWaalsContact CE1-CB 3.46Å; F110-L121 HydrophobicContact CE1-CD1 4.14Å; F110-L121 HydrophobicContact CE1-CG 4.33Å; F110-L121 HydrophobicContact CG-CD1 4.4Å; F110-L122 HydrophobicContact CZ-CD2 4.49Å; F110-V150 HydrophobicContact CE2-CG2 4.17Å; F110-V150 HydrophobicContact CZ-CG2 3.98Å; F110-L159 HydrophobicContact CD2-CD1 3.72Å; F110-L159 HydrophobicContact CD2-CD2 3.64Å; F110-L159 HydrophobicContact CD2-CG 4.35Å; F110-L159 HydrophobicContact CE2-CD1 3.43Å; F110-L159 VanDerWaalsContact CE2-CD1 3.43Å; F110-L159 HydrophobicContact CE2-CD2 4.27Å
111S79.7Confident76.7Confident19 Ų1934.6 Ų34.613%0.13317%0.171CC..Hα-helixtrans-74-36.9176.3-55.60000113L88 M107 I108 Y109L88-S111 WeakPolarHBondContact CD1-OG 3.45Å; L88-S111 VanDerWaalsContact CD2-CB 3.47Å; M107-S111 VanDerWaalsContact O-CB 3.23Å; M107-S111 WeakPolarHBondContact O-CB 3.33Å; M107-S111 PolarHBondContact O-N 2.96Å; M107-S111 PolarHBondContact O-OG 3.4Å; I108-S111 PolarHBondContact O-N 3.07Å; Y109-S111 PolarHBondContact O-N 2.78Å
112M77.4Confident76.1Confident91 Ų9127.9 Ų27.945%0.44814%0.142SC..Hα-helixtrans-71.3-34.5176.3-76.4-169.3-54.400113.3H62 I108 Y109H62-M112 PolarHBondContact CE1-O 3.17Å; H62-M112 VanDerWaalsContact CE1-O 3.22Å; I108-M112 HydrophobicContact CG2-CE 3.76Å; I108-M112 HydrophobicContact CG2-CG 4.5Å; I108-M112 HydrophobicContact CG2-SD 4.25Å; I108-M112 WeakPolarHBondContact O-CB 3.42Å; I108-M112 VanDerWaalsContact O-CG 3.31Å; I108-M112 WeakPolarHBondContact O-CG 3.32Å; I108-M112 PolarHBondContact O-N 3.29Å; Y109-M112 HydrophobicContact CD1-CE 3.49Å; Y109-M112 VanDerWaalsContact CD1-CE 3.49Å; Y109-M112 HydrophobicContact CE1-CE 3.96Å; Y109-M112 PolarHBondContact O-N 3.07Å; Y109-M112 VanDerWaalsContact O-N 3.14Å
113F70.4Confident75.5Confident58 Ų5827.4 Ų27.425%0.25414%0.139SC..Hα-helixtrans-81.4-19.6177.5-83.7-93000112.8R61 Y109 L121 H124R61-F113 VanDerWaalsContact CZ-O 3.31Å; R61-F113 PolarHBondContact NE-O 3.03Å; R61-F113 PolarHBondContact NH2-O 2.92Å; Y109-F113 VanDerWaalsContact O-CD2 3.28Å; Y109-F113 WeakPolarHBondContact O-CD2 3.46Å; Y109-F113 PolarHBondContact O-N 2.85Å; F113-L121 HydrophobicContact CB-CD2 3.18Å; F113-L121 HydrophobicContact CD1-CD2 4.22Å; F113-L121 HydrophobicContact CD2-CD2 4.24Å; F113-L121 HydrophobicContact CG-CD2 3.61Å; F113-H124 HydrophobicContact CE1-CB 4.5Å; F113-H124 HydrophobicContact CE2-CB 4.17Å; F113-H124 AromaticContact CE2-CD2 3.03Å; F113-H124 WeakPolarHBondContact CE2-CD2 3.36Å; F113-H124 AromaticContact CE2-CE1 3.64Å; F113-H124 AromaticContact CE2-CG 3.34Å; F113-H124 AromaticContact CE2-ND1 3.72Å; F113-H124 AromaticContact CE2-NE2 3.23Å; F113-H124 WeakPolarHBondContact CE2-NE2 3.4Å; F113-H124 HydrophobicContact CZ-CB 3.99Å; F113-H124 AromaticContact CZ-CD2 3.42Å; F113-H124 VanDerWaalsContact CZ-CD2 3.42Å; F113-H124 WeakPolarHBondContact CZ-CD2 3.43Å; F113-H124 AromaticContact CZ-CE1 3.35Å; F113-H124 WeakPolarHBondContact CZ-CE1 3.47Å; F113-H124 AromaticContact CZ-CG 3.21Å; F113-H124 AromaticContact CZ-ND1 3.2Å; F113-H124 WeakPolarHBondContact CZ-ND1 3.43Å; F113-H124 AromaticContact CZ-NE2 3.49Å; F113-H124 WeakPolarHBondContact CZ-NE2 3.46Å
114G71.9Confident74.9Confident8 Ų829.9 Ų29.98%0.08215%0.15CC..  trans64.6-144.3-17100000111.4F110 G116F110-G114 PolarHBondContact O-N 3.33Å; F110-G114 VanDerWaalsContact O-N 3.14Å; G114-G116 PolarHBondContact O-N 3.25Å; G114-G116 VanDerWaalsContact O-N 3.1Å
115R69.8Low74.3Confident66 Ų6627.1 Ų27.125%0.24914%0.138CC..SBendtrans-64.3106.8174.8-69.9-178.5-171.4-161.75.3110.2R61 S63 V251R61-R115 HydrophobicContact CG-CB 4.4Å; R61-R115 WeakPolarHBondContact CG-O 3.35Å; R61-R115 PolarHBondContact NH1-O 2.99Å; R61-R115 VanDerWaalsContact NH1-O 3.16Å; R61-R115 PolarHBondContact NH2-O 3.34Å; R61-R115 WeakPolarHBondContact O-CB 3.4Å; R61-R115 VanDerWaalsContact O-CG 3.22Å; R61-R115 WeakPolarHBondContact O-CG 3.33Å; R61-R115 PolarHBondContact O-N 3.22Å; S63-R115 VanDerWaalsContact CB-NH2 3.33Å; S63-R115 PolarHBondContact OG-NE 3Å; S63-R115 PolarHBondContact OG-NH2 3.06Å; R115-V251 HydrophobicContact CB-CG1 3.41Å; R115-V251 VanDerWaalsContact CB-CG1 3.41Å; R115-V251 HydrophobicContact CG-CG1 3.7Å
116G65.6Low73.8Confident2 Ų225.3 Ų25.32%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-133158.7175.300000111.7G114 V251 V252G114-G116 PolarHBondContact O-N 3.25Å; G114-G116 VanDerWaalsContact O-N 3.1Å; G116-V251 WeakPolarHBondContact O-CA 3.46Å; G116-V252 PolarHBondContact O-N 3.48Å
117S68.6Low73.5Confident26 Ų2631.2 Ų31.218%0.18216%0.155CC..EExtended strand (participates in β ladder)trans-60.3139.6166.776.20000108.3S119 D120 L121S117-S119 PolarHBondContact O-N 2.82Å; S117-D120 PolarHBondContact O-N 3.34Å; S117-D120 VanDerWaalsContact O-N 3.15Å; S117-D120 WeakPolarHBondContact OG-CB 3.48Å; S117-D120 PolarHBondContact OG-N 3.49Å; S117-D120 VanDerWaalsContact OG-N 3.1Å; S117-D120 PolarHBondContact OG-OD2 2.95Å; S117-L121 WeakPolarHBondContact O-CG 3.17Å; S117-L121 PolarHBondContact O-N 3.44Å
118L66.4Low72.9Confident2 Ų236.1 Ų36.11%0.0118%0.176CC..Hα-helixtrans-54.5-38.717817956.9000110.8D120 L121 L122 V150 M200 L250 V252L118-D120 PolarHBondContact O-N 2.93Å; L118-L121 PolarHBondContact O-N 3.38Å; L118-L122 HydrophobicContact CD1-CD1 3.88Å; L118-L122 HydrophobicContact CD1-CD2 4.29Å; L118-L122 HydrophobicContact CD1-CG 3.81Å; L118-L122 HydrophobicContact CD2-CD1 4.43Å; L118-L122 HydrophobicContact CG-CD1 3.77Å; L118-L122 HydrophobicContact CG-CG 4.18Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 VanDerWaalsContact O-CG 3.27Å; L118-L122 WeakPolarHBondContact O-CG 3.39Å; L118-L122 PolarHBondContact O-N 3.49Å; L118-V150 HydrophobicContact CD1-CG1 4.07Å; L118-M200 HydrophobicContact CD2-SD 4.1Å; L118-L250 PolarHBondContact N-O 3.27Å; L118-V252 HydrophobicContact CB-CG2 3.91Å; L118-V252 HydrophobicContact CD1-CG2 4.04Å; L118-V252 HydrophobicContact CG-CG2 4.36Å
119S66.2Low72.2Confident5 Ų535.6 Ų35.64%0.03517%0.172CC..Hα-helixtrans-49.2-57.3173.2-720000114S117 L121 L122 V123 W220 L248S117-S119 PolarHBondContact O-N 2.82Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 3.26Å; S119-L122 PolarHBondContact O-N 2.93Å; S119-V123 WeakPolarHBondContact O-CB 3.39Å; S119-V123 WeakPolarHBondContact O-CG2 3.49Å; S119-V123 PolarHBondContact O-N 2.6Å; S119-V123 VanDerWaalsContact O-N 3.08Å; S119-W220 VanDerWaalsContact CB-CE2 3.41Å; S119-W220 PolarHBondContact OG-NE1 3.09Å; S119-W220 VanDerWaalsContact OG-NE1 3.14Å; S119-L248 WeakPolarHBondContact OG-CD2 3.47Å
120D70.1Confident71.4Confident101 Ų10136.6 Ų36.654%0.5418%0.179SC..Hα-helixtrans-66.1-36.8-176.3-63-36.7000111.4S117 L118 H124S117-D120 PolarHBondContact O-N 3.34Å; S117-D120 VanDerWaalsContact O-N 3.15Å; S117-D120 WeakPolarHBondContact OG-CB 3.48Å; S117-D120 PolarHBondContact OG-N 3.49Å; S117-D120 VanDerWaalsContact OG-N 3.1Å; S117-D120 PolarHBondContact OG-OD2 2.95Å; L118-D120 PolarHBondContact O-N 2.93Å; D120-H124 VanDerWaalsContact O-CB 3.31Å; D120-H124 WeakPolarHBondContact O-CB 3.27Å; D120-H124 PolarHBondContact O-N 3.34Å
121L69.8Low70.4Confident0 Ų042.7 Ų42.70%021%0.211CC..Hα-helixtrans-69.4-43.3-178.2-65.3175000112F110 F113 S117 L118 S119 H124 C125 V252F110-L121 HydrophobicContact CD1-CB 3.66Å; F110-L121 HydrophobicContact CD1-CD1 3.74Å; F110-L121 HydrophobicContact CD1-CD2 4.16Å; F110-L121 HydrophobicContact CD1-CG 4.07Å; F110-L121 HydrophobicContact CE1-CB 3.46Å; F110-L121 VanDerWaalsContact CE1-CB 3.46Å; F110-L121 HydrophobicContact CE1-CD1 4.14Å; F110-L121 HydrophobicContact CE1-CG 4.33Å; F110-L121 HydrophobicContact CG-CD1 4.4Å; F113-L121 HydrophobicContact CB-CD2 3.18Å; F113-L121 HydrophobicContact CD1-CD2 4.22Å; F113-L121 HydrophobicContact CD2-CD2 4.24Å; F113-L121 HydrophobicContact CG-CD2 3.61Å; S117-L121 WeakPolarHBondContact O-CG 3.17Å; S117-L121 PolarHBondContact O-N 3.44Å; L118-L121 PolarHBondContact O-N 3.38Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 3.26Å; L121-H124 PolarHBondContact O-N 3.4Å; L121-C125 WeakPolarHBondContact O-CB 3.43Å; L121-C125 PolarHBondContact O-N 2.75Å; L121-V252 HydrophobicContact CD1-CB 4.42Å
122L71.9Confident69.3Low0 Ų051.8 Ų51.80%024%0.243CC..Hα-helixtrans-65.2-45.4176.3-70.5174.1000111.3F110 L118 S119 H124 C125 V126 L146 V150 I205 L209 W220F110-L122 HydrophobicContact CZ-CD2 4.49Å; L118-L122 HydrophobicContact CD1-CD1 3.88Å; L118-L122 HydrophobicContact CD1-CD2 4.29Å; L118-L122 HydrophobicContact CD1-CG 3.81Å; L118-L122 HydrophobicContact CD2-CD1 4.43Å; L118-L122 HydrophobicContact CG-CD1 3.77Å; L118-L122 HydrophobicContact CG-CG 4.18Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 VanDerWaalsContact O-CG 3.27Å; L118-L122 WeakPolarHBondContact O-CG 3.39Å; L118-L122 PolarHBondContact O-N 3.49Å; S119-L122 PolarHBondContact O-N 2.93Å; L122-H124 VanDerWaalsContact C-N 3.29Å; L122-H124 PolarHBondContact O-N 3.3Å; L122-C125 VanDerWaalsContact O-CB 3.31Å; L122-C125 WeakPolarHBondContact O-CB 3.43Å; L122-C125 PolarHBondContact O-N 2.86Å; L122-C125 VanDerWaalsContact O-N 3.13Å; L122-V126 PolarHBondContact O-N 3.29Å; L122-L146 HydrophobicContact CD2-CD2 4.01Å; L122-L146 HydrophobicContact CD2-CG 4.1Å; L122-V150 HydrophobicContact CD2-CG2 3.91Å; L122-I205 HydrophobicContact CD1-CG2 3.88Å; L122-L209 HydrophobicContact CB-CD2 4.17Å; L122-W220 HydrophobicContact CD1-CH2 3.96Å
123V72.1Confident68.4Low21 Ų2156.8 Ų56.813%0.12726%0.262CS..Hα-helixtrans-61.7-39.9177.4171.10000110.9S119 V126 K127 Y212 V218 W220S119-V123 WeakPolarHBondContact O-CB 3.39Å; S119-V123 WeakPolarHBondContact O-CG2 3.49Å; S119-V123 PolarHBondContact O-N 2.6Å; S119-V123 VanDerWaalsContact O-N 3.08Å; V123-V126 PolarHBondContact O-N 3.49Å; V123-K127 VanDerWaalsContact O-CB 3.27Å; V123-K127 WeakPolarHBondContact O-CB 3.22Å; V123-K127 PolarHBondContact O-N 3.43Å; V123-Y212 HydrophobicContact CG1-CE1 4.07Å; V123-Y212 HydrophobicContact CG1-CE2 3.92Å; V123-V218 HydrophobicContact CB-CG2 4.44Å; V123-V218 HydrophobicContact CG1-CG2 4.14Å; V123-V218 HydrophobicContact CG2-CB 4.35Å; V123-V218 HydrophobicContact CG2-CG1 3.92Å; V123-V218 HydrophobicContact CG2-CG2 3.46Å; V123-V218 VanDerWaalsContact CG2-CG2 3.46Å; V123-W220 HydrophobicContact CG2-CZ2 4.1Å
124H72.1Confident68.1Low52 Ų5255.4 Ų55.424%0.24126%0.257CS..Hα-helixtrans-63.5-43.8174-175.177000112.3F113 D120 L121 L122 V126 K127 K128F113-H124 HydrophobicContact CE1-CB 4.5Å; F113-H124 HydrophobicContact CE2-CB 4.17Å; F113-H124 AromaticContact CE2-CD2 3.03Å; F113-H124 WeakPolarHBondContact CE2-CD2 3.36Å; F113-H124 AromaticContact CE2-CE1 3.64Å; F113-H124 AromaticContact CE2-CG 3.34Å; F113-H124 AromaticContact CE2-ND1 3.72Å; F113-H124 AromaticContact CE2-NE2 3.23Å; F113-H124 WeakPolarHBondContact CE2-NE2 3.4Å; F113-H124 HydrophobicContact CZ-CB 3.99Å; F113-H124 AromaticContact CZ-CD2 3.42Å; F113-H124 VanDerWaalsContact CZ-CD2 3.42Å; F113-H124 WeakPolarHBondContact CZ-CD2 3.43Å; F113-H124 AromaticContact CZ-CE1 3.35Å; F113-H124 WeakPolarHBondContact CZ-CE1 3.47Å; F113-H124 AromaticContact CZ-CG 3.21Å; F113-H124 AromaticContact CZ-ND1 3.2Å; F113-H124 WeakPolarHBondContact CZ-ND1 3.43Å; F113-H124 AromaticContact CZ-NE2 3.49Å; F113-H124 WeakPolarHBondContact CZ-NE2 3.46Å; D120-H124 VanDerWaalsContact O-CB 3.31Å; D120-H124 WeakPolarHBondContact O-CB 3.27Å; D120-H124 PolarHBondContact O-N 3.34Å; L121-H124 PolarHBondContact O-N 3.4Å; L122-H124 VanDerWaalsContact C-N 3.29Å; L122-H124 PolarHBondContact O-N 3.3Å; H124-V126 VanDerWaalsContact C-N 3.34Å; H124-V126 PolarHBondContact O-N 2.94Å; H124-K127 PolarHBondContact O-N 2.86Å; H124-K128 WeakPolarHBondContact O-CB 3.47Å; H124-K128 PolarHBondContact O-N 2.78Å
125C72.6Confident68.1Low0 Ų058.7 Ų58.70%028%0.277CS..Hα-helixtrans-57.3-47.8177.4-170.30000111.1Y109 L121 L122 H129 Y142 L146Y109-C125 HydrophobicContact CD2-CB 3.95Å; Y109-C125 VanDerWaalsContact CD2-SG 3.53Å; Y109-C125 HydrophobicContact CE2-CB 4.43Å; L121-C125 WeakPolarHBondContact O-CB 3.43Å; L121-C125 PolarHBondContact O-N 2.75Å; L122-C125 VanDerWaalsContact O-CB 3.31Å; L122-C125 WeakPolarHBondContact O-CB 3.43Å; L122-C125 PolarHBondContact O-N 2.86Å; L122-C125 VanDerWaalsContact O-N 3.13Å; C125-H129 WeakPolarHBondContact O-CB 3.46Å; C125-H129 PolarHBondContact O-N 2.94Å; C125-H129 VanDerWaalsContact O-N 3.11Å; C125-Y142 PolarHBondContact SG-OH 3.16Å; C125-L146 HydrophobicContact CB-CD2 4.09Å
126V73.1Confident68Low0 Ų059.8 Ų59.80%029%0.291CS..Hα-helixtrans-63.3-52.7175.8174.90000110.7L122 V123 H124 K128 H129 L130 V143 L146 L209 Y212 I213L122-V126 PolarHBondContact O-N 3.29Å; V123-V126 PolarHBondContact O-N 3.49Å; H124-V126 VanDerWaalsContact C-N 3.34Å; H124-V126 PolarHBondContact O-N 2.94Å; V126-K128 VanDerWaalsContact C-N 3.29Å; V126-K128 PolarHBondContact O-N 2.81Å; V126-H129 PolarHBondContact O-N 2.83Å; V126-H129 VanDerWaalsContact O-N 3.11Å; V126-L130 HydrophobicContact CG1-CD1 4.41Å; V126-L130 WeakPolarHBondContact O-CB 3.44Å; V126-L130 PolarHBondContact O-N 3.34Å; V126-V143 HydrophobicContact CG2-CG2 4.29Å; V126-L146 HydrophobicContact CG2-CD2 4.03Å; V126-L209 HydrophobicContact CG2-CD2 4.06Å; V126-Y212 HydrophobicContact CG1-CD1 4.27Å; V126-Y212 HydrophobicContact CG1-CE1 4.23Å; V126-I213 HydrophobicContact CG1-CG1 4.45Å
127K75.7Confident68.2Low124 Ų12467.6 Ų67.654%0.53933%0.327SS..Hα-helixtrans-55.3-42.8-178.2-174.8175.4-172.4174.60112.6V123 H124 N131V123-K127 VanDerWaalsContact O-CB 3.27Å; V123-K127 WeakPolarHBondContact O-CB 3.22Å; V123-K127 PolarHBondContact O-N 3.43Å; H124-K127 PolarHBondContact O-N 2.86Å; K127-N131 VanDerWaalsContact O-CG 3.32Å; K127-N131 PolarHBondContact O-N 3.09Å; K127-N131 PolarHBondContact O-OD1 3.26Å
128K71.9Confident68.5Low102 Ų10271.4 Ų71.444%0.44334%0.342SS..Hα-helixtrans-73.9-32.5-179-173.4161.9164.7178.10112.6Y109 H124 V126Y109-K128 HydrophobicContact CD1-CD 4.32Å; Y109-K128 HydrophobicContact CE1-CD 3.43Å; Y109-K128 VanDerWaalsContact CE1-CD 3.43Å; Y109-K128 HydrophobicContact CE1-CG 4.23Å; H124-K128 WeakPolarHBondContact O-CB 3.47Å; H124-K128 PolarHBondContact O-N 2.78Å; V126-K128 VanDerWaalsContact C-N 3.29Å; V126-K128 PolarHBondContact O-N 2.81Å
129H68.4Low68.8Low49 Ų4972.6 Ų72.623%0.22735%0.347CS..Hα-helixtrans-74.3-41.9174.6-162.487.4000112.1Q105 C125 V126 N131 Y142Q105-H129 PolarHBondContact OE1-ND1 3.2Å; C125-H129 WeakPolarHBondContact O-CB 3.46Å; C125-H129 PolarHBondContact O-N 2.94Å; C125-H129 VanDerWaalsContact O-N 3.11Å; V126-H129 PolarHBondContact O-N 2.83Å; V126-H129 VanDerWaalsContact O-N 3.11Å; H129-N131 VanDerWaalsContact C-N 3.29Å; H129-N131 PolarHBondContact O-N 3.33Å; H129-Y142 HydrophobicContact CB-CD1 4.41Å; H129-Y142 HydrophobicContact CB-CE1 3.79Å; H129-Y142 AromaticContact CD2-CD1 3.92Å; H129-Y142 AromaticContact CD2-CD2 3.81Å; H129-Y142 AromaticContact CD2-CE2 3.94Å; H129-Y142 AromaticContact CD2-CG 3.79Å; H129-Y142 AromaticContact CE1-CD2 3.83Å; H129-Y142 AromaticContact CE1-CE2 3.64Å; H129-Y142 AromaticContact CG-CE1 3.82Å; H129-Y142 AromaticContact CG-CE2 3.79Å; H129-Y142 AromaticContact CG-CZ 3.6Å; H129-Y142 AromaticContact ND1-CE2 3.58Å; H129-Y142 AromaticContact ND1-CZ 3.72Å; H129-Y142 AromaticContact NE2-CD2 3.63Å; H129-Y142 AromaticContact NE2-CE2 3.87Å; H129-Y142 AromaticContact NE2-CG 3.98Å
130L64Low69.2Low42 Ų4275.3 Ų75.322%0.2236%0.359CS..Hα-helixtrans-71.9-16.8-177.2-12872.1000114.4V126 R132 K133 Q139V126-L130 HydrophobicContact CG1-CD1 4.41Å; V126-L130 WeakPolarHBondContact O-CB 3.44Å; V126-L130 PolarHBondContact O-N 3.34Å; L130-R132 PolarHBondContact O-N 3.44Å; L130-K133 PolarHBondContact O-N 3.12Å; L130-K133 VanDerWaalsContact O-N 3.12Å; L130-Q139 HydrophobicContact CD1-CB 3.82Å; L130-Q139 HydrophobicContact CD1-CG 3.44Å; L130-Q139 VanDerWaalsContact CD1-CG 3.44Å; L130-Q139 HydrophobicContact CG-CG 4.16Å
131N60.6Low69.7Low128 Ų12874.1 Ų74.168%0.68436%0.359SS*.THydrogen-bonded Turntrans-56-14.3176.3-87-9.5000113.6K127 H129 K133K127-N131 VanDerWaalsContact O-CG 3.32Å; K127-N131 PolarHBondContact O-N 3.09Å; K127-N131 PolarHBondContact O-OD1 3.26Å; H129-N131 VanDerWaalsContact C-N 3.29Å; H129-N131 PolarHBondContact O-N 3.33Å; N131-K133 VanDerWaalsContact C-N 3.32Å; N131-K133 PolarHBondContact O-N 2.86Å
132R56.8Low70.1Confident211 Ų21174.9 Ų74.980%0.79636%0.362SS*.THydrogen-bonded Turntrans-84.68.5178.7-176.2171.2166.2164.1-1.4114.5L130 L134L130-R132 PolarHBondContact O-N 3.44Å; R132-L134 HydrophobicContact CB-CD1 3.48Å; R132-L134 VanDerWaalsContact CB-CD1 3.48Å; R132-L134 HydrophobicContact CG-CD1 3.65Å; R132-L134 PolarHBondContact O-N 3.47Å
133K58.5Low70.4Confident195 Ų19574.9 Ų74.985%0.84836%0.362SS*.  trans50.453.9-178.6-64-176178.7178.90112L130 N131L130-K133 PolarHBondContact O-N 3.12Å; L130-K133 VanDerWaalsContact O-N 3.12Å; N131-K133 VanDerWaalsContact C-N 3.32Å; N131-K133 PolarHBondContact O-N 2.86Å
134L63.4Low70.8Confident29 Ų2978.5 Ų78.515%0.15238%0.378CS..  trans-73.8151.2176-88.574000111.3R132 E138 Q139R132-L134 HydrophobicContact CB-CD1 3.48Å; R132-L134 VanDerWaalsContact CB-CD1 3.48Å; R132-L134 HydrophobicContact CG-CD1 3.65Å; R132-L134 PolarHBondContact O-N 3.47Å; L134-E138 HydrophobicContact CB-CB 4.35Å; L134-E138 HydrophobicContact CD2-CB 3.95Å; L134-E138 WeakPolarHBondContact CD2-OE2 3.43Å; L134-E138 WeakPolarHBondContact CG-OE2 3.47Å; L134-Q139 HydrophobicContact CB-CG 4.28Å; L134-Q139 PolarHBondContact O-NE2 3.22Å
135P72Confident71.3Confident77 Ų7777.5 Ų77.550%0.538%0.378SS..  trans-54.4145.5168.9-20.931.2000112E137 E138 Q139P135-E137 PolarHBondContact O-N 2.99Å; P135-E137 VanDerWaalsContact O-N 3.16Å; P135-E138 HydrophobicContact CG-CG 4.47Å; P135-E138 PolarHBondContact O-N 2.94Å; P135-Q139 WeakPolarHBondContact O-CG 3.2Å; P135-Q139 PolarHBondContact O-N 3.41Å
136V68.4Low71.7Confident90 Ų9077.5 Ų77.555%0.54538%0.378SS..Hα-helixtrans-53.5-39.1-175.8178.80000112.2E138 Q139 H140V136-E138 PolarHBondContact O-N 3.15Å; V136-Q139 WeakPolarHBondContact O-CB 3.36Å; V136-Q139 PolarHBondContact O-N 3.02Å; V136-Q139 VanDerWaalsContact O-N 3.15Å; V136-H140 WeakPolarHBondContact CG1-NE2 3.36Å; V136-H140 PolarHBondContact O-CD2 3.3Å; V136-H140 PolarHBondContact O-N 3.37Å
137E70.2Confident72.1Confident166 Ų16677.5 Ų77.578%0.77638%0.378SS*.Hα-helixtrans-60.2-43.5177.8-62.7179.3179.300113.1P135 Q139 H140 S141P135-E137 PolarHBondContact O-N 2.99Å; P135-E137 VanDerWaalsContact O-N 3.16Å; E137-Q139 VanDerWaalsContact C-N 3.29Å; E137-Q139 PolarHBondContact O-N 3.44Å; E137-H140 PolarHBondContact O-N 3.43Å; E137-S141 PolarHBondContact O-N 3.14Å
138E74Confident72.3Confident105 Ų10574 Ų7449%0.49137%0.367SS..Hα-helixtrans-68.6-31177.2-62.5-172.1168.900111.6L134 P135 V136 Y142L134-E138 HydrophobicContact CB-CB 4.35Å; L134-E138 HydrophobicContact CD2-CB 3.95Å; L134-E138 WeakPolarHBondContact CD2-OE2 3.43Å; L134-E138 WeakPolarHBondContact CG-OE2 3.47Å; P135-E138 HydrophobicContact CG-CG 4.47Å; P135-E138 PolarHBondContact O-N 2.94Å; V136-E138 PolarHBondContact O-N 3.15Å; E138-Y142 WeakPolarHBondContact O-CB 3.38Å; E138-Y142 PolarHBondContact O-N 3.31Å
139Q72.1Confident72.9Confident27 Ų2769.8 Ų69.813%0.12635%0.35CS..Hα-helixtrans-65.4-44.6174.5-55.2-176.52.700111.3L130 L134 P135 V136 E137 Y142 V143 I213L130-Q139 HydrophobicContact CD1-CB 3.82Å; L130-Q139 HydrophobicContact CD1-CG 3.44Å; L130-Q139 VanDerWaalsContact CD1-CG 3.44Å; L130-Q139 HydrophobicContact CG-CG 4.16Å; L134-Q139 HydrophobicContact CB-CG 4.28Å; L134-Q139 PolarHBondContact O-NE2 3.22Å; P135-Q139 WeakPolarHBondContact O-CG 3.2Å; P135-Q139 PolarHBondContact O-N 3.41Å; V136-Q139 WeakPolarHBondContact O-CB 3.36Å; V136-Q139 PolarHBondContact O-N 3.02Å; V136-Q139 VanDerWaalsContact O-N 3.15Å; E137-Q139 VanDerWaalsContact C-N 3.29Å; E137-Q139 PolarHBondContact O-N 3.44Å; Q139-Y142 PolarHBondContact O-N 3.04Å; Q139-V143 WeakPolarHBondContact O-CG2 3.17Å; Q139-V143 PolarHBondContact O-N 3.09Å; Q139-I213 HydrophobicContact CB-CD1 4.25Å
140H75.7Confident73.5Confident62 Ų6267.5 Ų67.529%0.28734%0.34SS..Hα-helixtrans-64.4-45.7176.5-73.6-75.7000111.4V136 E137 Y142 V143 E144 H210V136-H140 WeakPolarHBondContact CG1-NE2 3.36Å; V136-H140 PolarHBondContact O-CD2 3.3Å; V136-H140 PolarHBondContact O-N 3.37Å; E137-H140 PolarHBondContact O-N 3.43Å; H140-Y142 VanDerWaalsContact C-N 3.33Å; H140-Y142 PolarHBondContact O-N 3.47Å; H140-V143 PolarHBondContact O-N 3.33Å; H140-E144 PolarHBondContact O-N 3.33Å; H140-H210 AromaticContact CE1-ND1 3.57Å; H140-H210 AromaticContact CG-CE1 3.88Å; H140-H210 AromaticContact CG-ND1 3.97Å; H140-H210 AromaticContact ND1-CE1 3.1Å; H140-H210 PolarHBondContact ND1-CE1 3.43Å; H140-H210 AromaticContact ND1-CG 3.78Å; H140-H210 AromaticContact ND1-ND1 2.89Å; H140-H210 PolarHBondContact ND1-ND1 3.02Å
141S79.9Confident74.3Confident77 Ų7766.1 Ų66.154%0.53833%0.333SS..Hα-helixtrans-58.9-42.4176.6-176.40000112.4E137 E144 A145E137-S141 PolarHBondContact O-N 3.14Å; S141-E144 PolarHBondContact O-N 3.38Å; S141-A145 WeakPolarHBondContact O-CB 3.48Å; S141-A145 PolarHBondContact O-N 3.11Å
142Y78.7Confident75.3Confident15 Ų1562.8 Ų62.86%0.05932%0.317CS..Hα-helixtrans-64-41176.2179.3-101000112.5V102 C125 H129 E138 Q139 H140 A145 L146V102-Y142 HydrophobicContact CG1-CE2 4.26Å; V102-Y142 HydrophobicContact CG2-CE2 4.37Å; C125-Y142 PolarHBondContact SG-OH 3.16Å; H129-Y142 HydrophobicContact CB-CD1 4.41Å; H129-Y142 HydrophobicContact CB-CE1 3.79Å; H129-Y142 AromaticContact CD2-CD1 3.92Å; H129-Y142 AromaticContact CD2-CD2 3.81Å; H129-Y142 AromaticContact CD2-CE2 3.94Å; H129-Y142 AromaticContact CD2-CG 3.79Å; H129-Y142 AromaticContact CE1-CD2 3.83Å; H129-Y142 AromaticContact CE1-CE2 3.64Å; H129-Y142 AromaticContact CG-CE1 3.82Å; H129-Y142 AromaticContact CG-CE2 3.79Å; H129-Y142 AromaticContact CG-CZ 3.6Å; H129-Y142 AromaticContact ND1-CE2 3.58Å; H129-Y142 AromaticContact ND1-CZ 3.72Å; H129-Y142 AromaticContact NE2-CD2 3.63Å; H129-Y142 AromaticContact NE2-CE2 3.87Å; H129-Y142 AromaticContact NE2-CG 3.98Å; E138-Y142 WeakPolarHBondContact O-CB 3.38Å; E138-Y142 PolarHBondContact O-N 3.31Å; Q139-Y142 PolarHBondContact O-N 3.04Å; H140-Y142 VanDerWaalsContact C-N 3.33Å; H140-Y142 PolarHBondContact O-N 3.47Å; Y142-A145 PolarHBondContact O-N 2.75Å; Y142-L146 HydrophobicContact CE1-CD2 4.26Å; Y142-L146 VanDerWaalsContact O-CB 3.28Å; Y142-L146 WeakPolarHBondContact O-CB 3.45Å; Y142-L146 PolarHBondContact O-N 3.39Å
143V78.5Confident76.6Confident0 Ų052.8 Ų52.80%028%0.28CS..Hα-helixtrans-62.4-43.6176.7163.50000111.4V126 Q139 H140 L146 G147 L209 I213V126-V143 HydrophobicContact CG2-CG2 4.29Å; Q139-V143 WeakPolarHBondContact O-CG2 3.17Å; Q139-V143 PolarHBondContact O-N 3.09Å; H140-V143 PolarHBondContact O-N 3.33Å; V143-L146 PolarHBondContact O-N 2.95Å; V143-G147 PolarHBondContact O-N 3.32Å; V143-L209 HydrophobicContact CB-CB 4.45Å; V143-L209 HydrophobicContact CG1-CB 3.47Å; V143-L209 VanDerWaalsContact CG1-CB 3.47Å; V143-L209 HydrophobicContact CG1-CD1 3.95Å; V143-L209 HydrophobicContact CG1-CG 4.37Å; V143-L209 HydrophobicContact CG2-CB 4.09Å; V143-I213 HydrophobicContact CG2-CD1 3.53Å
144E80.6Confident77.6Confident98 Ų9844.5 Ų44.546%0.45825%0.245SC..Hα-helixtrans-64.2-41.6175.9-70.4-174.5-165.900112.3H140 S141 L146 G147 T148H140-E144 PolarHBondContact O-N 3.33Å; S141-E144 PolarHBondContact O-N 3.38Å; E144-L146 VanDerWaalsContact C-N 3.35Å; E144-G147 PolarHBondContact O-N 2.92Å; E144-T148 WeakPolarHBondContact O-CG2 3.21Å; E144-T148 PolarHBondContact O-N 3.47Å; E144-T148 PolarHBondContact O-OG1 2.96Å
145A82.2Confident78.4Confident31 Ų3150 Ų5026%0.25627%0.268SS..Hα-helixtrans-64.3-40175.500000111.4V102 S141 Y142 T148 T149V102-A145 HydrophobicContact CG2-CB 4.11Å; S141-A145 WeakPolarHBondContact O-CB 3.48Å; S141-A145 PolarHBondContact O-N 3.11Å; Y142-A145 PolarHBondContact O-N 2.75Å; A145-T148 WeakPolarHBondContact CA-OG1 3.22Å; A145-T148 PolarHBondContact O-OG1 3.35Å; A145-T149 WeakPolarHBondContact O-CB 3.28Å; A145-T149 PolarHBondContact O-N 3.07Å; A145-T149 PolarHBondContact O-OG1 2.92Å
146L81.2Confident78.7Confident0 Ų048.3 Ų48.30%026%0.256CS..Hα-helixtrans-66.9-46.5177.1-177.665.7000111.2V102 A106 L122 C125 V126 Y142 V143 E144 T149 V150 L209V102-L146 HydrophobicContact CG1-CB 4.29Å; V102-L146 HydrophobicContact CG1-CD1 4.16Å; A106-L146 HydrophobicContact CB-CD1 4.24Å; L122-L146 HydrophobicContact CD2-CD2 4.01Å; L122-L146 HydrophobicContact CD2-CG 4.1Å; C125-L146 HydrophobicContact CB-CD2 4.09Å; V126-L146 HydrophobicContact CG2-CD2 4.03Å; Y142-L146 HydrophobicContact CE1-CD2 4.26Å; Y142-L146 VanDerWaalsContact O-CB 3.28Å; Y142-L146 WeakPolarHBondContact O-CB 3.45Å; Y142-L146 PolarHBondContact O-N 3.39Å; V143-L146 PolarHBondContact O-N 2.95Å; E144-L146 VanDerWaalsContact C-N 3.35Å; L146-T149 PolarHBondContact O-N 2.85Å; L146-V150 HydrophobicContact CD1-CG2 4.15Å; L146-V150 HydrophobicContact CG-CG2 4.5Å; L146-V150 WeakPolarHBondContact O-CB 3.32Å; L146-V150 WeakPolarHBondContact O-CG2 3.3Å; L146-V150 PolarHBondContact O-N 3.11Å; L146-L209 HydrophobicContact CD2-CD1 4.28Å
147G80.4Confident79.3Confident0 Ų047.6 Ų47.60%025%0.25CC..Hα-helixtrans-59.8-49.3177.800000112V143 E144 T149 V150 T151V143-G147 PolarHBondContact O-N 3.32Å; E144-G147 PolarHBondContact O-N 2.92Å; G147-T149 PolarHBondContact O-N 3.42Å; G147-V150 PolarHBondContact O-N 2.9Å; G147-T151 PolarHBondContact O-N 2.95Å; G147-T151 PolarHBondContact O-OG1 2.96Å; G147-T151 VanDerWaalsContact O-OG1 3.12Å
148T81.8Confident79.7Confident49 Ų4939.7 Ų39.730%0.30121%0.213SC..Hα-helixtrans-59.8-45.4175.448.40000112.2E144 A145 T151 T152 K202E144-T148 WeakPolarHBondContact O-CG2 3.21Å; E144-T148 PolarHBondContact O-N 3.47Å; E144-T148 PolarHBondContact O-OG1 2.96Å; A145-T148 WeakPolarHBondContact CA-OG1 3.22Å; A145-T148 PolarHBondContact O-OG1 3.35Å; T148-T151 PolarHBondContact O-N 2.8Å; T148-T152 WeakPolarHBondContact O-CG2 3.44Å; T148-T152 PolarHBondContact O-N 3.18Å; T148-T152 PolarHBondContact O-OG1 2.95Å; T148-K202 HydrophobicContact CG2-CD 3.51Å; T148-K202 HydrophobicContact CG2-CG 4.02Å
149T83.7Confident79.9Confident15 Ų1534.8 Ų34.89%0.09219%0.19CC..Hα-helixtrans-63.9-42.5-179-61.90000112.1A103 A145 L146 G147 T152 L153A103-T149 VanDerWaalsContact CA-CG2 3.48Å; A103-T149 HydrophobicContact CB-CG2 3.47Å; A103-T149 VanDerWaalsContact CB-CG2 3.47Å; A145-T149 WeakPolarHBondContact O-CB 3.28Å; A145-T149 PolarHBondContact O-N 3.07Å; A145-T149 PolarHBondContact O-OG1 2.92Å; L146-T149 PolarHBondContact O-N 2.85Å; G147-T149 PolarHBondContact O-N 3.42Å; T149-T152 WeakPolarHBondContact CA-OG1 3.5Å; T149-T152 PolarHBondContact O-N 3.43Å; T149-T152 PolarHBondContact O-OG1 2.95Å; T149-L153 HydrophobicContact CG2-CD1 3.88Å; T149-L153 HydrophobicContact CG2-CG 4.23Å; T149-L153 WeakPolarHBondContact O-CB 3.48Å; T149-L153 WeakPolarHBondContact O-CG 3.44Å; T149-L153 PolarHBondContact O-N 3.34Å
150V81Confident79.9Confident1 Ų137.6 Ų37.61%0.00620%0.203CC..Hα-helixtrans-68.2-41.9179.1170.90000110.5F110 L118 L122 L146 G147 T152 L153 V154F110-V150 HydrophobicContact CE2-CG2 4.17Å; F110-V150 HydrophobicContact CZ-CG2 3.98Å; L118-V150 HydrophobicContact CD1-CG1 4.07Å; L122-V150 HydrophobicContact CD2-CG2 3.91Å; L146-V150 HydrophobicContact CD1-CG2 4.15Å; L146-V150 HydrophobicContact CG-CG2 4.5Å; L146-V150 WeakPolarHBondContact O-CB 3.32Å; L146-V150 WeakPolarHBondContact O-CG2 3.3Å; L146-V150 PolarHBondContact O-N 3.11Å; G147-V150 PolarHBondContact O-N 2.9Å; V150-T152 VanDerWaalsContact C-N 3.33Å; V150-T152 PolarHBondContact O-N 2.87Å; V150-L153 PolarHBondContact O-N 3.05Å; V150-V154 VanDerWaalsContact O-CG2 3.3Å; V150-V154 WeakPolarHBondContact O-CG2 3.35Å; V150-V154 PolarHBondContact O-N 3.14Å
151T80.5Confident79.5Confident12 Ų1236.7 Ų36.77%0.07420%0.2CC..Hα-helixtrans-60.8-41.1173.8-610000111.7G147 T148 K155 M200G147-T151 PolarHBondContact O-N 2.95Å; G147-T151 PolarHBondContact O-OG1 2.96Å; G147-T151 VanDerWaalsContact O-OG1 3.12Å; T148-T151 PolarHBondContact O-N 2.8Å; T151-K155 HydrophobicContact CG2-CD 4.18Å; T151-K155 WeakPolarHBondContact O-CB 3.43Å; T151-K155 VanDerWaalsContact O-CG 3.27Å; T151-K155 WeakPolarHBondContact O-CG 3.36Å; T151-K155 PolarHBondContact O-N 2.89Å; T151-M200 WeakPolarHBondContact CG2-O 3.3Å; T151-M200 PolarHBondContact OG1-O 3.06Å; T151-M200 VanDerWaalsContact OG1-O 3.13Å
152T81.8Confident78.7Confident59 Ų5934.4 Ų34.436%0.36218%0.183SC..Hα-helixtrans-68.2-44177.154.50000112T148 T149 V150 V154 K155 T156T148-T152 WeakPolarHBondContact O-CG2 3.44Å; T148-T152 PolarHBondContact O-N 3.18Å; T148-T152 PolarHBondContact O-OG1 2.95Å; T149-T152 WeakPolarHBondContact CA-OG1 3.5Å; T149-T152 PolarHBondContact O-N 3.43Å; T149-T152 PolarHBondContact O-OG1 2.95Å; V150-T152 VanDerWaalsContact C-N 3.33Å; V150-T152 PolarHBondContact O-N 2.87Å; T152-V154 VanDerWaalsContact C-N 3.29Å; T152-V154 PolarHBondContact O-N 3.11Å; T152-K155 PolarHBondContact O-N 2.83Å; T152-K155 VanDerWaalsContact O-N 3.15Å; T152-T156 WeakPolarHBondContact O-CG2 3.28Å; T152-T156 PolarHBondContact O-N 3.38Å; T152-T156 PolarHBondContact O-OG1 3.42Å; T152-T156 VanDerWaalsContact O-OG1 3.1Å
153L83.3Confident77.6Confident0 Ų037.7 Ų37.70%020%0.201CC..Hα-helixtrans-63.5-32.9178.1-70.3174.8000113.2V95 Y99 A103 M107 T149 V150 T156 N157 V158 L159V95-L153 HydrophobicContact CG1-CD2 4.41Å; Y99-L153 HydrophobicContact CD1-CD2 4.18Å; Y99-L153 HydrophobicContact CD2-CD2 3.8Å; Y99-L153 HydrophobicContact CE1-CD2 4.32Å; Y99-L153 HydrophobicContact CE2-CD2 3.93Å; Y99-L153 HydrophobicContact CG-CD2 3.92Å; A103-L153 HydrophobicContact CB-CD1 4.3Å; M107-L153 HydrophobicContact SD-CD1 4.48Å; T149-L153 HydrophobicContact CG2-CD1 3.88Å; T149-L153 HydrophobicContact CG2-CG 4.23Å; T149-L153 WeakPolarHBondContact O-CB 3.48Å; T149-L153 WeakPolarHBondContact O-CG 3.44Å; T149-L153 PolarHBondContact O-N 3.34Å; V150-L153 PolarHBondContact O-N 3.05Å; L153-T156 PolarHBondContact O-OG1 3.5Å; L153-N157 PolarHBondContact O-N 2.88Å; L153-V158 HydrophobicContact CB-CB 4.42Å; L153-V158 HydrophobicContact CD2-CB 3.93Å; L153-V158 HydrophobicContact CD2-CG1 3.89Å; L153-V158 HydrophobicContact CD2-CG2 4.26Å; L153-V158 PolarHBondContact O-N 3.35Å; L153-L159 HydrophobicContact CB-CB 4.49Å; L153-L159 HydrophobicContact CB-CD1 3.6Å; L153-L159 HydrophobicContact CB-CG 3.87Å; L153-L159 HydrophobicContact CD1-CD1 3.93Å; L153-L159 HydrophobicContact CD1-CG 4.47Å; L153-L159 HydrophobicContact CG-CD1 4.44Å; L153-L159 PolarHBondContact O-N 3.37Å
154V80.5Confident76.3Confident21 Ų2139.6 Ų39.613%0.12721%0.214CC..Hα-helixtrans-69.9-47.1171.41700000110.4V150 T152 T156 N157 L159 I161V150-V154 VanDerWaalsContact O-CG2 3.3Å; V150-V154 WeakPolarHBondContact O-CG2 3.35Å; V150-V154 PolarHBondContact O-N 3.14Å; T152-V154 VanDerWaalsContact C-N 3.29Å; T152-V154 PolarHBondContact O-N 3.11Å; V154-T156 VanDerWaalsContact C-N 3.27Å; V154-T156 PolarHBondContact O-N 3.23Å; V154-N157 PolarHBondContact O-N 3.18Å; V154-L159 HydrophobicContact CG2-CB 4.09Å; V154-I161 HydrophobicContact CG1-CD1 3.57Å; V154-I161 HydrophobicContact CG1-CG1 4.13Å; V154-I161 HydrophobicContact CG2-CD1 4.16Å; V154-I161 HydrophobicContact CG2-CG1 4.31Å
155K79.7Confident74.5Confident144 Ų14443.7 Ų43.763%0.62623%0.23SC*.Hα-helixtrans-60.1-35.4178.1-76.8177.6178.6-174.90113T151 T152 N157T151-K155 HydrophobicContact CG2-CD 4.18Å; T151-K155 WeakPolarHBondContact O-CB 3.43Å; T151-K155 VanDerWaalsContact O-CG 3.27Å; T151-K155 WeakPolarHBondContact O-CG 3.36Å; T151-K155 PolarHBondContact O-N 2.89Å; T152-K155 PolarHBondContact O-N 2.83Å; T152-K155 VanDerWaalsContact O-N 3.15Å; K155-N157 VanDerWaalsContact C-N 3.25Å; K155-N157 PolarHBondContact O-N 3.28Å
156T79.2Confident72.6Confident42 Ų4248.5 Ų48.526%0.25825%0.25SS..THydrogen-bonded Turntrans-867.617760.80000113.5Y99 T152 L153 V154 V158 T258Y99-T156 HydrophobicContact CE1-CG2 4.12Å; Y99-T156 VanDerWaalsContact OH-CB 3.24Å; Y99-T156 WeakPolarHBondContact OH-CB 3.34Å; Y99-T156 WeakPolarHBondContact OH-CG2 3.37Å; Y99-T156 PolarHBondContact OH-OG1 2.59Å; T152-T156 WeakPolarHBondContact O-CG2 3.28Å; T152-T156 PolarHBondContact O-N 3.38Å; T152-T156 PolarHBondContact O-OG1 3.42Å; T152-T156 VanDerWaalsContact O-OG1 3.1Å; L153-T156 PolarHBondContact O-OG1 3.5Å; V154-T156 VanDerWaalsContact C-N 3.27Å; V154-T156 PolarHBondContact O-N 3.23Å; T156-V158 PolarHBondContact O-N 2.92Å; T156-V158 VanDerWaalsContact O-N 3.07Å; T156-V158 WeakPolarHBondContact OG1-CG2 3.36Å; T156-T258 WeakPolarHBondContact O-CG2 3.34Å
157N79.9Confident71Confident76 Ų7653.7 Ų53.741%0.40627%0.27SS..THydrogen-bonded Turntrans57.617.5-178.1-66.9-46.5000114.7L153 V154 K155 L159 N255 T258L153-N157 PolarHBondContact O-N 2.88Å; V154-N157 PolarHBondContact O-N 3.18Å; K155-N157 VanDerWaalsContact C-N 3.25Å; K155-N157 PolarHBondContact O-N 3.28Å; N157-L159 VanDerWaalsContact C-N 3.25Å; N157-N255 WeakPolarHBondContact O-CB 3.35Å; N157-N255 PolarHBondContact O-ND2 2.68Å; N157-T258 WeakPolarHBondContact O-CB 3.47Å; N157-T258 PolarHBondContact O-OG1 3.18Å
158V80.1Confident68.8Low0 Ų056.1 Ų56.10%029%0.287CS..SBendtrans-68.3-35.1171.4176.10000109.5V95 Y99 M107 L153 T156 N255 T258 L259 M262V95-V158 HydrophobicContact CG2-CG1 4.41Å; Y99-V158 HydrophobicContact CE2-CG2 4.06Å; M107-V158 HydrophobicContact CE-CG1 4.12Å; M107-V158 HydrophobicContact SD-CG1 4Å; L153-V158 HydrophobicContact CB-CB 4.42Å; L153-V158 HydrophobicContact CD2-CB 3.93Å; L153-V158 HydrophobicContact CD2-CG1 3.89Å; L153-V158 HydrophobicContact CD2-CG2 4.26Å; L153-V158 PolarHBondContact O-N 3.35Å; T156-V158 PolarHBondContact O-N 2.92Å; T156-V158 VanDerWaalsContact O-N 3.07Å; T156-V158 WeakPolarHBondContact OG1-CG2 3.36Å; V158-N255 PolarHBondContact O-N 3.32Å; V158-T258 HydrophobicContact CG2-CG2 3.86Å; V158-L259 HydrophobicContact CG1-CD2 4Å; V158-M262 HydrophobicContact CG2-SD 3.92Å
159L76.9Confident66.5Low1 Ų158.1 Ų58.11%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-107.5121169.6-64.4174.3000109.4M107 F110 L153 V154 N157 V252 P254M107-L159 HydrophobicContact SD-CD2 3.77Å; M107-L159 HydrophobicContact SD-CG 4.42Å; F110-L159 HydrophobicContact CD2-CD1 3.72Å; F110-L159 HydrophobicContact CD2-CD2 3.64Å; F110-L159 HydrophobicContact CD2-CG 4.35Å; F110-L159 HydrophobicContact CE2-CD1 3.43Å; F110-L159 VanDerWaalsContact CE2-CD1 3.43Å; F110-L159 HydrophobicContact CE2-CD2 4.27Å; L153-L159 HydrophobicContact CB-CB 4.49Å; L153-L159 HydrophobicContact CB-CD1 3.6Å; L153-L159 HydrophobicContact CB-CG 3.87Å; L153-L159 HydrophobicContact CD1-CD1 3.93Å; L153-L159 HydrophobicContact CD1-CG 4.47Å; L153-L159 HydrophobicContact CG-CD1 4.44Å; L153-L159 PolarHBondContact O-N 3.37Å; V154-L159 HydrophobicContact CG2-CB 4.09Å; N157-L159 VanDerWaalsContact C-N 3.25Å; L159-V252 HydrophobicContact CB-CG1 3.84Å; L159-V252 HydrophobicContact CD1-CG1 4.22Å; L159-V252 HydrophobicContact CD2-CG1 4.14Å; L159-V252 HydrophobicContact CG-CG1 4.28Å; L159-P254 HydrophobicContact CD2-CG 4.5Å
160Q72.7Confident63.9Low86 Ų8664.3 Ų64.340%0.40233%0.327SS..EExtended strand (participates in β ladder)trans-91133172.5-169.7179.212.800109.4V162 V252 C253 N255Q160-V162 HydrophobicContact CB-CG2 4.49Å; Q160-V162 HydrophobicContact CG-CG2 3.89Å; Q160-V252 WeakPolarHBondContact O-CA 3.48Å; Q160-C253 PolarHBondContact N-O 3.47Å; Q160-C253 PolarHBondContact O-N 2.95Å; Q160-N255 HydrophobicContact CB-CB 4.29Å
161I67.3Low61.3Low43 Ų4368 Ų6822%0.22135%0.353CS..EExtended strand (participates in β ladder)trans-92.9109170.2-62.3-176.3000107.2V154 M200 L250 V252V154-I161 HydrophobicContact CG1-CD1 3.57Å; V154-I161 HydrophobicContact CG1-CG1 4.13Å; V154-I161 HydrophobicContact CG2-CD1 4.16Å; V154-I161 HydrophobicContact CG2-CG1 4.31Å; I161-M200 HydrophobicContact CD1-CG 4.26Å; I161-L250 HydrophobicContact CG2-CB 3.4Å; I161-L250 VanDerWaalsContact CG2-CB 3.4Å; I161-L250 HydrophobicContact CG2-CD1 3.13Å; I161-L250 HydrophobicContact CG2-CD2 4.35Å; I161-L250 HydrophobicContact CG2-CG 3.72Å; I161-V252 HydrophobicContact CG1-CG2 4.28Å
162V63.9Low58.6Low30 Ų3074.7 Ų74.718%0.18239%0.388CS..EExtended strand (participates in β ladder)trans-103.5125.5178.9-176.70000109.2Q160 V251Q160-V162 HydrophobicContact CB-CG2 4.49Å; Q160-V162 HydrophobicContact CG-CG2 3.89Å; V162-V251 PolarHBondContact N-O 2.92Å; V162-V251 PolarHBondContact O-N 3.42Å
163N55Low55.9Low83 Ų8381.4 Ų81.444%0.44441%0.412SS..  trans-67.3127.3173.8-168.6-39.3000109.8K165 L166 L250N163-K165 PolarHBondContact O-N 2.91Å; N163-K165 VanDerWaalsContact O-N 3.08Å; N163-K165 PolarHBondContact OD1-N 3.43Å; N163-L166 PolarHBondContact O-N 3.35Å; N163-L166 VanDerWaalsContact O-N 3.1Å; N163-L250 HydrophobicContact CB-CD2 4.19Å
164P51.1Low53Low41 Ų4189.1 Ų89.127%0.26645%0.449SS..G310 helixtrans-57.9-25.2-179.520.1-31.7000114.4L166 W167P164-L166 VanDerWaalsContact C-N 3.35Å; P164-L166 PolarHBondContact O-N 3.49Å; P164-W167 VanDerWaalsContact CA-CE2 3.46Å; P164-W167 HydrophobicContact CB-CD2 4.35Å; P164-W167 HydrophobicContact CB-CE3 4.21Å; P164-W167 HydrophobicContact CB-CH2 3.56Å; P164-W167 HydrophobicContact CB-CZ2 3.7Å; P164-W167 HydrophobicContact CB-CZ3 3.83Å; P164-W167 VanDerWaalsContact O-CE3 3.29Å; P164-W167 VanDerWaalsContact O-CG 3.22Å
165K42.7Very low50.3Low183 Ų18394 Ų9480%0.79648%0.478SS*.G310 helixtrans-73.2-24179.6-64.9-173.5179.8-178.30113.7N163 W167N163-K165 PolarHBondContact O-N 2.91Å; N163-K165 VanDerWaalsContact O-N 3.08Å; N163-K165 PolarHBondContact OD1-N 3.43Å; K165-W167 PolarHBondContact O-N 2.86Å
166L41.4Very low47.7Very low132 Ų13295.5 Ų95.569%0.69149%0.493SS*.G310 helixtrans-75.8-8.4-178.8-144.982.9000113.1N163 P164 S168 V169N163-L166 PolarHBondContact O-N 3.35Å; N163-L166 VanDerWaalsContact O-N 3.1Å; P164-L166 VanDerWaalsContact C-N 3.35Å; P164-L166 PolarHBondContact O-N 3.49Å; L166-S168 PolarHBondContact O-N 3.06Å; L166-V169 PolarHBondContact O-N 3.23Å
167W48.4Very low45.1Very low110 Ų110100 Ų10042%0.41752%0.52SS..G310 helixtrans-63.1-8.1176.4-57.7-16.7000114P164 K165 V251P164-W167 VanDerWaalsContact CA-CE2 3.46Å; P164-W167 HydrophobicContact CB-CD2 4.35Å; P164-W167 HydrophobicContact CB-CE3 4.21Å; P164-W167 HydrophobicContact CB-CH2 3.56Å; P164-W167 HydrophobicContact CB-CZ2 3.7Å; P164-W167 HydrophobicContact CB-CZ3 3.83Å; P164-W167 VanDerWaalsContact O-CE3 3.29Å; P164-W167 VanDerWaalsContact O-CG 3.22Å; K165-W167 PolarHBondContact O-N 2.86Å; W167-V251 HydrophobicContact CH2-CG2 3.69Å; W167-V251 HydrophobicContact CZ2-CB 3.83Å; W167-V251 HydrophobicContact CZ2-CG1 4.19Å; W167-V251 HydrophobicContact CZ2-CG2 3.43Å; W167-V251 VanDerWaalsContact CZ2-CG2 3.43Å
168S34.9Very low42.4Very low50 Ų50102 Ų10235%0.3554%0.54SS..G310 helixtrans-94.1-15.4-173.7-72.30000115.5K69 L166K69-S168 WeakPolarHBondContact CD-O 3.14Å; K69-S168 WeakPolarHBondContact CE-O 3.42Å; K69-S168 VanDerWaalsContact NZ-CA 3.34Å; K69-S168 PolarHBondContact NZ-O 2.97Å; K69-S168 PolarHBondContact NZ-OG 2.95Å; L166-S168 PolarHBondContact O-N 3.06Å
169V33.4Very low39.8Very low92 Ų92106.8 Ų106.856%0.55858%0.58SS**  trans-150.791.7-165.6-172.70000111.1L166 S171L166-V169 PolarHBondContact O-N 3.23Å; V169-S171 VanDerWaalsContact C-N 3.29Å; V169-S171 PolarHBondContact O-N 2.89Å
170E28.1Very low37.3Very low144 Ų144111.3 Ų111.367%0.67362%0.618SS**  trans-85.783.1143-79175.9-17900105.7N172E170-N172 PolarHBondContact O-N 3.48Å
171S25.9Very low35Very low80 Ų80112.9 Ų112.956%0.55964%0.635SS**  trans-75.5108.4168.552.90000107V169 K173V169-S171 VanDerWaalsContact C-N 3.29Å; V169-S171 PolarHBondContact O-N 2.89Å; S171-K173 PolarHBondContact O-N 2.94Å
172N25.2Very low33.2Very low152 Ų152116.8 Ų116.881%0.81366%0.664SS**  trans-50.8102.4165.6-89.9-10000108.9E170 E174E170-N172 PolarHBondContact O-N 3.48Å; N172-E174 PolarHBondContact O-N 3.32Å
173K24.7Very low31.3Very low199 Ų199127.2 Ų127.287%0.86570%0.699SS**  trans-86.160.3161.3-81.2-172.2176-1800108.4S171S171-K173 PolarHBondContact O-N 2.94Å
174E22.5Very low29.8Very low163 Ų163130 Ų13076%0.76272%0.72SS**  trans-138.4126.4164.3-72.2-169.9168.800108.7N172N172-E174 PolarHBondContact O-N 3.32Å
175T23.6Very low28.4Very low122 Ų122131.3 Ų131.375%0.74874%0.741SS**  trans75.783.3166.3680000117.8
176N24.7Very low27.5Very low176 Ų176131.7 Ų131.794%0.94175%0.746SS**  trans-129.778.8134.1-96.5-21.7000108
177V23.9Very low26.6Very low136 Ų136129.8 Ų129.882%0.82475%0.749SS**  trans-91.992.9166.6-176.20000106.4
178S24.6Very low25.4Very low118 Ų118129.6 Ų129.683%0.82576%0.762SS**  trans-162.5110157.8-89.40000111.9
179A24.6Very low24.9Very low102 Ų102133.2 Ų133.284%0.84378%0.781SS**  trans62.394.4140.700000119.6
180A24.6Very low24.3Very low96 Ų96136.2 Ų136.279%0.79379%0.789SS**  178.7147.8121.900000111
181P25.3Very low24.1Very low119 Ų119134.8 Ų134.877%0.77379%0.79SS**PPolyproline II helixtrans-85163.5-16034.7-33.9000114.5
182P28.9Very low23.8Very low125 Ų125136.9 Ų136.981%0.81280%0.795SS**PPolyproline II helixtrans-85.2128.8-151.632.1-32.2000112.4
183R23.5Very low23.8Very low248 Ų248135.4 Ų135.494%0.93679%0.791SS**PPolyproline II helixtrans-86.8124.5159.6-73.9-175.8177.8-173.2-0.6108.5
184T23.8Very low23.9Very low141 Ų141129.6 Ų129.687%0.86578%0.776SS**  trans-45.4134.6174.744.60000113.9
185G22.5Very low24.2Very low70 Ų70131.3 Ų131.372%0.72278%0.784SS**  trans91.281.6148.100000115.7
186E23.5Very low24.4Very low191 Ų191130 Ų13089%0.89378%0.779SS**  trans-169.7112.5135.6-103.9165-155.100107.2
187A21.9Very low24.8Very low92 Ų92129.8 Ų129.876%0.7677%0.773SS**  trans-59.1124.6175.200000108.3V189A187-V189 PolarHBondContact O-N 2.97Å
188P23.9Very low25.5Very low106 Ų106126.1 Ų126.169%0.68875%0.747SS**  trans-65.4111.5176.525.2-29.8000107.3H190P188-H190 VanDerWaalsContact C-N 3.28Å; P188-H190 PolarHBondContact O-N 3.14Å
189V23.1Very low26.5Very low125 Ų125126.9 Ų126.976%0.75874%0.738SS**  trans-55.4100.2166.6178.40000105.9A187 V191A187-V189 PolarHBondContact O-N 2.97Å; V189-V191 HydrophobicContact CG1-CG2 3.98Å; V189-V191 PolarHBondContact O-N 2.82Å
190H21.5Very low27.9Very low155 Ų155122.5 Ų122.572%0.71870%0.7SS**  trans-58.991.5163.2-88.4-92.5000106.2P188 N192P188-H190 VanDerWaalsContact C-N 3.28Å; P188-H190 PolarHBondContact O-N 3.14Å; H190-N192 PolarHBondContact O-N 2.85Å
191V23.2Very low29.4Very low114 Ų114120.2 Ų120.269%0.69168%0.677SS**  trans-72.370.1158.9-170.10000105.6V189 V193V189-V191 HydrophobicContact CG1-CG2 3.98Å; V189-V191 PolarHBondContact O-N 2.82Å; V191-V193 HydrophobicContact CG1-CG2 3.64Å; V191-V193 PolarHBondContact O-N 3.4Å
192N21.5Very low31.1Very low124 Ų124118.2 Ų118.266%0.66366%0.657SS**  trans-62.191.2146.8-82.6-0.2000103.8H190 S194H190-N192 PolarHBondContact O-N 2.85Å; N192-S194 PolarHBondContact O-N 3.48Å
193V25.1Very low32.8Very low121 Ų121117.8 Ų117.873%0.73365%0.647SS**  trans-63.291.2151.8-177.30000103V191 E195V191-V193 HydrophobicContact CG1-CG2 3.64Å; V191-V193 PolarHBondContact O-N 3.4Å; V193-E195 PolarHBondContact O-N 3.11Å
194S24.8Very low34.8Very low78 Ų78108.9 Ų108.955%0.54562%0.618SS.*  trans-41.9131169.4-54.10000106.7N192 S196N192-S194 PolarHBondContact O-N 3.48Å; S194-S196 PolarHBondContact O-N 2.85Å; S194-S196 PolarHBondContact O-OG 3.42Å
195E29Very low36.8Very low198 Ų198102.3 Ų102.393%0.92558%0.578SS**  trans-62.664.1165.9-65.2173.4146.100107.8V193 E197V193-E195 PolarHBondContact O-N 3.11Å; E195-E197 PolarHBondContact O-N 3.2Å
196S28.6Very low38.7Very low94 Ų9499.4 Ų99.466%0.65755%0.546SS*.  trans-56.4109.6-175.5-72.60000106.5S194 M198S194-S196 PolarHBondContact O-N 2.85Å; S194-S196 PolarHBondContact O-OG 3.42Å; S196-M198 PolarHBondContact O-N 3.42Å
197E33.2Very low40.7Very low172 Ų17296 Ų9680%0.80453%0.531SS*.  trans-19.979.1160.7-60.3174.9151.100111.7E195 Q199E195-E197 PolarHBondContact O-N 3.2Å; E197-Q199 PolarHBondContact O-N 3.45Å
198M39Very low42.7Very low59 Ų5991.9 Ų91.929%0.29150%0.496SS..  trans-73.488.8177.5-17385.4172.900105.5S196 M200 E243 K246S196-M198 PolarHBondContact O-N 3.42Å; M198-M200 PolarHBondContact O-N 3.16Å; M198-M200 VanDerWaalsContact O-N 3.13Å; M198-E243 HydrophobicContact CE-CB 3.66Å; M198-E243 HydrophobicContact CE-CG 4.15Å; M198-E243 WeakPolarHBondContact CE-O 3.29Å; M198-E243 HydrophobicContact SD-CB 4.36Å; M198-E243 HydrophobicContact SD-CG 4.33Å; M198-K246 HydrophobicContact CE-CB 4.21Å
199Q44.7Very low44.6Very low134 Ų13486.8 Ų86.863%0.62646%0.463SS*.  trans-61.8119.3178-63.8-174.58.400106.8E197 P201E197-Q199 PolarHBondContact O-N 3.45Å; Q199-P201 WeakPolarHBondContact O-CD 3.43Å
200M54.3Low46.6Very low10 Ų1082.7 Ų82.75%0.04944%0.436CS..  trans-9094.2167.7-76.3-88.146.600107.8L118 T151 I161 M198 K202 I205 L244 S247L118-M200 HydrophobicContact CD2-SD 4.1Å; T151-M200 WeakPolarHBondContact CG2-O 3.3Å; T151-M200 PolarHBondContact OG1-O 3.06Å; T151-M200 VanDerWaalsContact OG1-O 3.13Å; I161-M200 HydrophobicContact CD1-CG 4.26Å; M198-M200 PolarHBondContact O-N 3.16Å; M198-M200 VanDerWaalsContact O-N 3.13Å; M200-K202 PolarHBondContact O-N 3.4Å; M200-I205 HydrophobicContact CB-CD1 4.42Å; M200-L244 HydrophobicContact CE-CD1 3.82Å; M200-L244 HydrophobicContact CE-CG 4.45Å; M200-S247 WeakPolarHBondContact CE-OG 3.29Å; M200-S247 WeakPolarHBondContact SD-CB 3.5Å; M200-S247 PolarHBondContact SD-OG 3.17Å; M200-S247 VanDerWaalsContact SD-OG 3.35Å
201P56.5Low48.6Very low48 Ų4878.5 Ų78.531%0.31242%0.419SS..  trans-61.2126-179.225.3-35.2000109.3Q199 D203 D204 L244Q199-P201 WeakPolarHBondContact O-CD 3.43Å; P201-D203 PolarHBondContact O-N 2.65Å; P201-D204 HydrophobicContact CG-CB 4.16Å; P201-D204 WeakPolarHBondContact CG-OD2 3.5Å; P201-D204 PolarHBondContact O-N 2.89Å; P201-L244 HydrophobicContact CG-CD1 3.97Å
202K59.8Low50.3Low78 Ų7875 Ų7534%0.33939%0.393SS..Hα-helixtrans-50.4-41.9176.1175.6-162.9167.6174.20110.7T148 M200 D204 I205 C206T148-K202 HydrophobicContact CG2-CD 3.51Å; T148-K202 HydrophobicContact CG2-CG 4.02Å; M200-K202 PolarHBondContact O-N 3.4Å; K202-D204 PolarHBondContact O-N 2.73Å; K202-I205 PolarHBondContact O-N 2.82Å; K202-C206 PolarHBondContact O-N 3.41Å; K202-C206 PolarHBondContact O-SG 3.39Å
203D64.9Low52Low115 Ų11570.9 Ų70.962%0.61537%0.371SS*.Hα-helixtrans-65.2-42.2-168.6-55.8-31.2000111.7P201 I205 C206 E207P201-D203 PolarHBondContact O-N 2.65Å; D203-I205 PolarHBondContact O-N 2.94Å; D203-C206 PolarHBondContact O-N 2.99Å; D203-E207 WeakPolarHBondContact O-CB 3.38Å; D203-E207 PolarHBondContact O-N 2.92Å
204D66.9Low53.5Low62 Ų6269.8 Ų69.833%0.33237%0.368SS..Hα-helixtrans-69.3-34.5179.9-65.9-30.4000112.8P201 K202 A208 L244P201-D204 HydrophobicContact CG-CB 4.16Å; P201-D204 WeakPolarHBondContact CG-OD2 3.5Å; P201-D204 PolarHBondContact O-N 2.89Å; K202-D204 PolarHBondContact O-N 2.73Å; D204-A208 WeakPolarHBondContact O-CB 3.45Å; D204-A208 PolarHBondContact O-N 2.83Å; D204-A208 VanDerWaalsContact O-N 3.09Å; D204-L244 HydrophobicContact CB-CD1 3.48Å; D204-L244 VanDerWaalsContact CB-CD1 3.48Å; D204-L244 HydrophobicContact CB-CD2 3.62Å; D204-L244 HydrophobicContact CB-CG 4.16Å; D204-L244 WeakPolarHBondContact OD2-CD1 3.48Å
205I64.2Low55Low3 Ų368.8 Ų68.82%0.01536%0.361CS..Hα-helixtrans-67.8-46.4174.3-64.7171.7000109.7L122 M200 K202 D203 A208 L209L122-I205 HydrophobicContact CD1-CG2 3.88Å; M200-I205 HydrophobicContact CB-CD1 4.42Å; K202-I205 PolarHBondContact O-N 2.82Å; D203-I205 PolarHBondContact O-N 2.94Å; I205-A208 PolarHBondContact O-N 3.45Å; I205-L209 HydrophobicContact CG2-CD1 3.78Å; I205-L209 HydrophobicContact CG2-CG 4.35Å; I205-L209 WeakPolarHBondContact O-CB 3.38Å; I205-L209 VanDerWaalsContact O-CG 3.23Å; I205-L209 WeakPolarHBondContact O-CG 3.45Å; I205-L209 PolarHBondContact O-N 3.35Å
206C62.2Low56.3Low9 Ų961.8 Ų61.86%0.06134%0.343CS..Hα-helixtrans-61.6-46.2178.1-69.40000111K202 D203 A208 L209 H210K202-C206 PolarHBondContact O-N 3.41Å; K202-C206 PolarHBondContact O-SG 3.39Å; D203-C206 PolarHBondContact O-N 2.99Å; C206-A208 PolarHBondContact O-N 3.25Å; C206-L209 PolarHBondContact O-N 2.93Å; C206-H210 WeakPolarHBondContact O-CB 3.43Å; C206-H210 PolarHBondContact O-CD2 3.22Å; C206-H210 PolarHBondContact O-N 2.96Å
207E66.7Low57.3Low120 Ų12064.7 Ų64.756%0.56134%0.344SS*.Hα-helixtrans-60.6-46.6179.1-169.8-178.1168.300111.7D203 L209 H210 N211D203-E207 WeakPolarHBondContact O-CB 3.38Å; D203-E207 PolarHBondContact O-N 2.92Å; E207-L209 VanDerWaalsContact C-N 3.34Å; E207-L209 PolarHBondContact O-N 3.41Å; E207-H210 PolarHBondContact O-N 3.48Å; E207-N211 WeakPolarHBondContact O-CB 3.07Å; E207-N211 VanDerWaalsContact O-CG 3.26Å; E207-N211 PolarHBondContact O-N 3.2Å; E207-N211 PolarHBondContact O-ND2 2.9Å
208A64.4Low58.2Low4 Ų458.7 Ų58.73%0.03332%0.319CS..Hα-helixtrans-63.2-38.5177.300000112.7D204 I205 C206 Y212 W220D204-A208 WeakPolarHBondContact O-CB 3.45Å; D204-A208 PolarHBondContact O-N 2.83Å; D204-A208 VanDerWaalsContact O-N 3.09Å; I205-A208 PolarHBondContact O-N 3.45Å; C206-A208 PolarHBondContact O-N 3.25Å; A208-Y212 PolarHBondContact O-N 2.87Å; A208-W220 HydrophobicContact CB-CD2 4.42Å; A208-W220 HydrophobicContact CB-CE3 3.54Å; A208-W220 HydrophobicContact CB-CH2 4.18Å; A208-W220 HydrophobicContact CB-CZ3 3.41Å; A208-W220 VanDerWaalsContact CB-CZ3 3.41Å
209L62.9Low58.7Low0 Ų061.4 Ų61.40%034%0.335CS..Hα-helixtrans-73.5-36.3177.5-70.6177.6000112.6L122 V126 V143 L146 I205 C206 E207 Y212 I213 W220L122-L209 HydrophobicContact CB-CD2 4.17Å; V126-L209 HydrophobicContact CG2-CD2 4.06Å; V143-L209 HydrophobicContact CB-CB 4.45Å; V143-L209 HydrophobicContact CG1-CB 3.47Å; V143-L209 VanDerWaalsContact CG1-CB 3.47Å; V143-L209 HydrophobicContact CG1-CD1 3.95Å; V143-L209 HydrophobicContact CG1-CG 4.37Å; V143-L209 HydrophobicContact CG2-CB 4.09Å; L146-L209 HydrophobicContact CD2-CD1 4.28Å; I205-L209 HydrophobicContact CG2-CD1 3.78Å; I205-L209 HydrophobicContact CG2-CG 4.35Å; I205-L209 WeakPolarHBondContact O-CB 3.38Å; I205-L209 VanDerWaalsContact O-CG 3.23Å; I205-L209 WeakPolarHBondContact O-CG 3.45Å; I205-L209 PolarHBondContact O-N 3.35Å; C206-L209 PolarHBondContact O-N 2.93Å; E207-L209 VanDerWaalsContact C-N 3.34Å; E207-L209 PolarHBondContact O-N 3.41Å; L209-Y212 WeakPolarHBondContact O-CB 3.29Å; L209-Y212 PolarHBondContact O-N 3.05Å; L209-I213 WeakPolarHBondContact O-CG1 3.48Å; L209-I213 PolarHBondContact O-N 2.99Å; L209-W220 HydrophobicContact CD2-CH2 4.47Å
210H65.7Low59Low38 Ų3856.1 Ų56.118%0.17631%0.309CS..Hα-helixtrans-65-40.8171.2-69.5-40.8000111.3H140 C206 E207 Y212 I213 S214H140-H210 AromaticContact CE1-ND1 3.57Å; H140-H210 AromaticContact CG-CE1 3.88Å; H140-H210 AromaticContact CG-ND1 3.97Å; H140-H210 AromaticContact ND1-CE1 3.1Å; H140-H210 PolarHBondContact ND1-CE1 3.43Å; H140-H210 AromaticContact ND1-CG 3.78Å; H140-H210 AromaticContact ND1-ND1 2.89Å; H140-H210 PolarHBondContact ND1-ND1 3.02Å; C206-H210 WeakPolarHBondContact O-CB 3.43Å; C206-H210 PolarHBondContact O-CD2 3.22Å; C206-H210 PolarHBondContact O-N 2.96Å; E207-H210 PolarHBondContact O-N 3.48Å; H210-Y212 VanDerWaalsContact C-N 3.29Å; H210-Y212 PolarHBondContact O-N 3.11Å; H210-I213 PolarHBondContact O-N 3.04Å; H210-S214 PolarHBondContact O-N 3.06Å; H210-S214 PolarHBondContact O-OG 3.05Å; H210-S214 VanDerWaalsContact O-OG 3.11Å
211N62.2Low58.2Low68 Ų6858.8 Ų58.836%0.36433%0.327SS..Hα-helixtrans-61.9-37.1172.5-74.7-26.7000111.9E207 S214 S215E207-N211 WeakPolarHBondContact O-CB 3.07Å; E207-N211 VanDerWaalsContact O-CG 3.26Å; E207-N211 PolarHBondContact O-N 3.2Å; E207-N211 PolarHBondContact O-ND2 2.9Å; N211-S214 PolarHBondContact O-N 3.3Å; N211-S215 VanDerWaalsContact O-CB 3.3Å; N211-S215 WeakPolarHBondContact O-CB 3.12Å; N211-S215 PolarHBondContact O-N 3.45Å; N211-S215 PolarHBondContact O-OG 2.94Å
212Y60.3Low57.3Low40 Ų4060.2 Ų60.216%0.15733%0.331CS..Hα-helixtrans-65.5-42.6174.3176.1-107.2000112.8V123 V126 A208 L209 H210 S214 G216 V218V123-Y212 HydrophobicContact CG1-CE1 4.07Å; V123-Y212 HydrophobicContact CG1-CE2 3.92Å; V126-Y212 HydrophobicContact CG1-CD1 4.27Å; V126-Y212 HydrophobicContact CG1-CE1 4.23Å; A208-Y212 PolarHBondContact O-N 2.87Å; L209-Y212 WeakPolarHBondContact O-CB 3.29Å; L209-Y212 PolarHBondContact O-N 3.05Å; H210-Y212 VanDerWaalsContact C-N 3.29Å; H210-Y212 PolarHBondContact O-N 3.11Å; Y212-S214 VanDerWaalsContact C-N 3.33Å; Y212-S214 PolarHBondContact O-N 3.17Å; Y212-G216 WeakPolarHBondContact O-CA 3.41Å; Y212-G216 PolarHBondContact O-N 3.13Å; Y212-V218 HydrophobicContact CD2-CB 4.16Å; Y212-V218 HydrophobicContact CD2-CG1 4.49Å; Y212-V218 HydrophobicContact CD2-CG2 3.38Å; Y212-V218 HydrophobicContact CE2-CG2 3.7Å; Y212-V218 HydrophobicContact CG-CG2 4.21Å
213I57.4Low56Low38 Ų3860.6 Ų60.620%0.19535%0.349CS..Hα-helixtrans-60.9-44.4175.3-68.5168.1000110.4V126 Q139 V143 L209 H210V126-I213 HydrophobicContact CG1-CG1 4.45Å; Q139-I213 HydrophobicContact CB-CD1 4.25Å; V143-I213 HydrophobicContact CG2-CD1 3.53Å; L209-I213 WeakPolarHBondContact O-CG1 3.48Å; L209-I213 PolarHBondContact O-N 2.99Å; H210-I213 PolarHBondContact O-N 3.04Å
214S56.2Low54.2Low97 Ų9762 Ų6268%0.67836%0.357SS*.Hα-helixtrans-75.2-35.3-176.1-60.80000114.2H210 N211 Y212H210-S214 PolarHBondContact O-N 3.06Å; H210-S214 PolarHBondContact O-OG 3.05Å; H210-S214 VanDerWaalsContact O-OG 3.11Å; N211-S214 PolarHBondContact O-N 3.3Å; Y212-S214 VanDerWaalsContact C-N 3.33Å; Y212-S214 PolarHBondContact O-N 3.17Å
215S57Low52.5Low57 Ų5768 Ų6840%0.39938%0.382SS..Hα-helixtrans-107.7-14.8-171.970.30000114.7N211 F217N211-S215 VanDerWaalsContact O-CB 3.3Å; N211-S215 WeakPolarHBondContact O-CB 3.12Å; N211-S215 PolarHBondContact O-N 3.45Å; N211-S215 PolarHBondContact O-OG 2.94Å; S215-F217 VanDerWaalsContact O-CD2 3.32Å; S215-F217 WeakPolarHBondContact O-CD2 3.33Å; S215-F217 PolarHBondContact O-N 3.34Å; S215-F217 VanDerWaalsContact O-N 3.1Å; S215-F217 PolarHBondContact OG-N 3.2Å; S215-F217 PolarHBondContact OG-O 3.06Å
216G54.6Low51Low52 Ų5278.2 Ų78.254%0.53642%0.421SS..SBendtrans69.7-5.8-171.100000114.3Y212Y212-G216 WeakPolarHBondContact O-CA 3.41Å; Y212-G216 PolarHBondContact O-N 3.13Å
217F51Low49.3Very low155 Ų15585.2 Ų85.268%0.6846%0.458SS*.SBendtrans-114.9138.6176.9-67.8-79.1000109.8S215 N219S215-F217 VanDerWaalsContact O-CD2 3.32Å; S215-F217 WeakPolarHBondContact O-CD2 3.33Å; S215-F217 PolarHBondContact O-N 3.34Å; S215-F217 VanDerWaalsContact O-N 3.1Å; S215-F217 PolarHBondContact OG-N 3.2Å; S215-F217 PolarHBondContact OG-O 3.06Å; F217-N219 PolarHBondContact O-N 3.29Å; F217-N219 VanDerWaalsContact O-N 3.09Å
218V51Low47.7Very low46 Ų4687.3 Ų87.328%0.27947%0.473SS..  trans-83.594174.7-1480000108V123 Y212 W220V123-V218 HydrophobicContact CB-CG2 4.44Å; V123-V218 HydrophobicContact CG1-CG2 4.14Å; V123-V218 HydrophobicContact CG2-CB 4.35Å; V123-V218 HydrophobicContact CG2-CG1 3.92Å; V123-V218 HydrophobicContact CG2-CG2 3.46Å; V123-V218 VanDerWaalsContact CG2-CG2 3.46Å; Y212-V218 HydrophobicContact CD2-CB 4.16Å; Y212-V218 HydrophobicContact CD2-CG1 4.49Å; Y212-V218 HydrophobicContact CD2-CG2 3.38Å; Y212-V218 HydrophobicContact CE2-CG2 3.7Å; Y212-V218 HydrophobicContact CG-CG2 4.21Å; V218-W220 HydrophobicContact CB-CG 4.48Å; V218-W220 HydrophobicContact CG1-CD2 3.77Å; V218-W220 HydrophobicContact CG1-CG 3.83Å; V218-W220 HydrophobicContact CG1-CZ2 3.73Å; V218-W220 PolarHBondContact O-N 2.86Å
219N49.4Very low45.8Very low116 Ų11695.8 Ų95.862%0.6251%0.512SS*.  trans-77.369.2161.8-82.9-6.2000108.3F217F217-N219 PolarHBondContact O-N 3.29Å; F217-N219 VanDerWaalsContact O-N 3.09Å
220W50.8Low44.2Very low22 Ų22101 Ų1018%0.08355%0.545CS..  trans-58.5142.2153.2-63.7114000106.9S119 L122 V123 A208 L209 V218 I222 L248S119-W220 VanDerWaalsContact CB-CE2 3.41Å; S119-W220 PolarHBondContact OG-NE1 3.09Å; S119-W220 VanDerWaalsContact OG-NE1 3.14Å; L122-W220 HydrophobicContact CD1-CH2 3.96Å; V123-W220 HydrophobicContact CG2-CZ2 4.1Å; A208-W220 HydrophobicContact CB-CD2 4.42Å; A208-W220 HydrophobicContact CB-CE3 3.54Å; A208-W220 HydrophobicContact CB-CH2 4.18Å; A208-W220 HydrophobicContact CB-CZ3 3.41Å; A208-W220 VanDerWaalsContact CB-CZ3 3.41Å; L209-W220 HydrophobicContact CD2-CH2 4.47Å; V218-W220 HydrophobicContact CB-CG 4.48Å; V218-W220 HydrophobicContact CG1-CD2 3.77Å; V218-W220 HydrophobicContact CG1-CG 3.83Å; V218-W220 HydrophobicContact CG1-CZ2 3.73Å; V218-W220 PolarHBondContact O-N 2.86Å; W220-I222 HydrophobicContact CB-CB 4.44Å; W220-I222 HydrophobicContact CB-CD1 3.4Å; W220-I222 VanDerWaalsContact CB-CD1 3.4Å; W220-I222 HydrophobicContact CB-CG1 3.51Å; W220-I222 HydrophobicContact CG-CD1 3.9Å; W220-I222 HydrophobicContact CG-CG1 4.47Å; W220-I222 PolarHBondContact O-N 2.97Å; W220-L248 HydrophobicContact CB-CD1 3.96Å; W220-L248 HydrophobicContact CD2-CD1 3.89Å; W220-L248 HydrophobicContact CD2-CD2 3.93Å; W220-L248 HydrophobicContact CD2-CG 4.48Å; W220-L248 HydrophobicContact CE3-CD1 3.41Å; W220-L248 VanDerWaalsContact CE3-CD1 3.41Å; W220-L248 HydrophobicContact CE3-CD2 3.35Å; W220-L248 HydrophobicContact CE3-CG 4.01Å; W220-L248 HydrophobicContact CG-CD1 4.13Å; W220-L248 HydrophobicContact CH2-CD2 3.99Å; W220-L248 HydrophobicContact CZ3-CD1 4.23Å; W220-L248 HydrophobicContact CZ3-CD2 3.36Å; W220-L248 HydrophobicContact CZ3-CG 4.44Å
221P39.1Very low42.5Very low67 Ų67104.8 Ų104.844%0.43557%0.571SS.*SBendtrans-63.882.2165.326.1-31000107.8L244 V245P221-L244 HydrophobicContact CG-CD2 3.76Å; P221-V245 VanDerWaalsContact O-CG2 3.31Å; P221-V245 WeakPolarHBondContact O-CG2 3.43Å
222I36.9Very low40.9Very low78 Ų78112.3 Ų112.340%0.459%0.594SS.*  trans-119.9123.3176.9-67.4171.3000104.9W220 N224W220-I222 HydrophobicContact CB-CB 4.44Å; W220-I222 HydrophobicContact CB-CD1 3.4Å; W220-I222 VanDerWaalsContact CB-CD1 3.4Å; W220-I222 HydrophobicContact CB-CG1 3.51Å; W220-I222 HydrophobicContact CG-CD1 3.9Å; W220-I222 HydrophobicContact CG-CG1 4.47Å; W220-I222 PolarHBondContact O-N 2.97Å; I222-N224 PolarHBondContact O-N 3.47Å
223A31.8Very low39.6Very low86 Ų86120.1 Ų120.171%0.71163%0.629SS**  trans-54.1107167.200000108.3E225A223-E225 VanDerWaalsContact C-N 3.34Å; A223-E225 PolarHBondContact O-N 3.32Å
224N28.7Very low38.2Very low145 Ų145130 Ų13078%0.77566%0.664SS**  trans-7689.6177.8-139.65.3000107I222 R226I222-N224 PolarHBondContact O-N 3.47Å; N224-R226 PolarHBondContact O-N 2.9Å
225E29.6Very low36.8Very low187 Ų187129.9 Ų129.987%0.87467%0.669SS**  trans-7468.3160.3-79.7-172.5165.200108.9A223A223-E225 VanDerWaalsContact C-N 3.34Å; A223-E225 PolarHBondContact O-N 3.32Å
226R32.8Very low35.5Very low217 Ų217134.9 Ų134.982%0.81968%0.683SS**SBendtrans-132.890.9150.8-79.9-166.8176.5-178.3-0.6107.1N224 N228N224-R226 PolarHBondContact O-N 2.9Å; R226-N228 PolarHBondContact O-N 3.19Å
227N27.6Very low34.2Very low157 Ų157143.9 Ų143.984%0.8470%0.701SS**  trans-0.895.8148.2-69.9-13.1000112.3
228N31.4Very low33.3Very low163 Ų163145.8 Ų145.887%0.87271%0.705SS**  trans-16069149.7-91.9-14.7000106.3R226R226-N228 PolarHBondContact O-N 3.19Å
229E25Very low32.5Very low183 Ų183149 Ų14986%0.85572%0.721SS**  trans-76.6154.4142.2-76.9-163.4171.100107.9
230P29.9Very low31.9Very low109 Ų109152 Ų15271%0.70873%0.731SS**  cis-134.6156.820.332.6-12.5000114.4
231V30.1Very low31.3Very low118 Ų118153.7 Ų153.772%0.71575%0.746SS**SBend172.4115.1118.5158.20000108.7
232R28.3Very low31.5Very low226 Ų226153.2 Ų153.285%0.85374%0.744SS**  trans81.289.2153.2-68.6165.8-166.9-165.42.4118.6R234R232-R234 PolarHBondContact O-N 2.96Å
233K32.7Very low32Very low204 Ų204155.1 Ų155.189%0.88775%0.752SS**  44.480.2118-73-177.4176.3178.60115
234R28.8Very low32.4Very low246 Ų246151.7 Ų151.793%0.92872%0.721SS**  trans-150.485.8131.2-105.7168.4-175.6-178.61108R232 K236R232-R234 PolarHBondContact O-N 2.96Å; R234-K236 PolarHBondContact O-N 3.46Å
235A26.9Very low33.1Very low94 Ų94146.4 Ų146.478%0.77769%0.694SS**  trans-65.781.6166.900000109.1R237A235-R237 PolarHBondContact O-N 3.46Å
236K29.6Very low34Very low162 Ų162143.1 Ų143.170%0.70468%0.677SS**  trans-76.595.2142.1-93.6-175173.3-1780104.7R234 Y238R234-K236 PolarHBondContact O-N 3.46Å; K236-Y238 VanDerWaalsContact C-N 3.29Å; K236-Y238 HydrophobicContact CB-CD2 3.93Å; K236-Y238 HydrophobicContact CB-CE2 3.74Å; K236-Y238 HydrophobicContact CD-CE2 3.92Å; K236-Y238 HydrophobicContact CG-CE2 4.44Å; K236-Y238 PolarHBondContact O-N 2.96Å
237R26.5Very low34.6Very low240 Ų240132.8 Ų132.891%0.90664%0.638SS**  trans-55.199.1164.4-71.7-179.9177.3175.8-1.7106.1A235A235-R237 PolarHBondContact O-N 3.46Å
238Y33.1Very low35.5Very low196 Ų196125.6 Ų125.677%0.76960%0.599SS**  trans-83.6125.6169-89.8-87000107K236K236-Y238 VanDerWaalsContact C-N 3.29Å; K236-Y238 HydrophobicContact CB-CD2 3.93Å; K236-Y238 HydrophobicContact CB-CE2 3.74Å; K236-Y238 HydrophobicContact CD-CE2 3.92Å; K236-Y238 HydrophobicContact CG-CE2 4.44Å; K236-Y238 PolarHBondContact O-N 2.96Å
239D33.1Very low36.4Very low114 Ų114124.3 Ų124.361%0.6159%0.586SS**  trans-71.6132.5-166.5-163.7-0.6000110.7S241 S242D239-S241 WeakPolarHBondContact CB-OG 3.47Å; D239-S241 VanDerWaalsContact CG-CB 3.44Å; D239-S241 PolarHBondContact O-N 3.15Å; D239-S241 PolarHBondContact OD1-N 3.32Å; D239-S241 PolarHBondContact OD1-OG 3.34Å; D239-S241 VanDerWaalsContact OD2-CB 3.27Å; D239-S241 WeakPolarHBondContact OD2-CB 3.34Å; D239-S241 PolarHBondContact OD2-OG 3.43Å; D239-S242 PolarHBondContact O-N 3.38Å
240E37.9Very low37.8Very low178 Ų178116.5 Ų116.583%0.83255%0.55SS**THydrogen-bonded Turntrans-59.6-4.6169.5-65.6-177.3153.600112.2K246E240-K246 WeakPolarHBondContact O-CE 3.46Å
241S38.6Very low39.3Very low58 Ų58111.9 Ų111.941%0.40652%0.52SS..THydrogen-bonded Turntrans-72.3-17.9173.469.50000114.8D239 E243D239-S241 WeakPolarHBondContact CB-OG 3.47Å; D239-S241 VanDerWaalsContact CG-CB 3.44Å; D239-S241 PolarHBondContact O-N 3.15Å; D239-S241 PolarHBondContact OD1-N 3.32Å; D239-S241 PolarHBondContact OD1-OG 3.34Å; D239-S241 VanDerWaalsContact OD2-CB 3.27Å; D239-S241 WeakPolarHBondContact OD2-CB 3.34Å; D239-S241 PolarHBondContact OD2-OG 3.43Å; S241-E243 PolarHBondContact O-N 2.83Å
242S42.4Very low41Very low56 Ų56106.3 Ų106.339%0.39249%0.486SS..  trans-58.1113.9-176.7178.70000111.4D239 L244 V245D239-S242 PolarHBondContact O-N 3.38Å; S242-L244 PolarHBondContact O-N 2.97Å; S242-L244 VanDerWaalsContact O-N 3.1Å; S242-V245 PolarHBondContact O-N 3.34Å
243E48.4Very low42.9Very low118 Ų11895.9 Ų95.955%0.55145%0.448SS*.Hα-helixtrans-53.9-31.1-177.5-77.9176.8161.700112.3M198 S241 V245 K246 S247M198-E243 HydrophobicContact CE-CB 3.66Å; M198-E243 HydrophobicContact CE-CG 4.15Å; M198-E243 WeakPolarHBondContact CE-O 3.29Å; M198-E243 HydrophobicContact SD-CB 4.36Å; M198-E243 HydrophobicContact SD-CG 4.33Å; S241-E243 PolarHBondContact O-N 2.83Å; E243-V245 PolarHBondContact O-N 3.27Å; E243-K246 PolarHBondContact O-N 2.9Å; E243-S247 WeakPolarHBondContact O-CB 3.43Å; E243-S247 PolarHBondContact O-N 2.91Å; E243-S247 PolarHBondContact O-OG 3.32Å
244L40.1Very low45Very low15 Ų1586.6 Ų86.68%0.07941%0.408CS..Hα-helixtrans-63-41177.9-13385.7000113.8M200 P201 D204 P221 S242 K246 S247 L248M200-L244 HydrophobicContact CE-CD1 3.82Å; M200-L244 HydrophobicContact CE-CG 4.45Å; P201-L244 HydrophobicContact CG-CD1 3.97Å; D204-L244 HydrophobicContact CB-CD1 3.48Å; D204-L244 VanDerWaalsContact CB-CD1 3.48Å; D204-L244 HydrophobicContact CB-CD2 3.62Å; D204-L244 HydrophobicContact CB-CG 4.16Å; D204-L244 WeakPolarHBondContact OD2-CD1 3.48Å; P221-L244 HydrophobicContact CG-CD2 3.76Å; S242-L244 PolarHBondContact O-N 2.97Å; S242-L244 VanDerWaalsContact O-N 3.1Å; L244-K246 VanDerWaalsContact C-N 3.26Å; L244-K246 PolarHBondContact O-N 3.47Å; L244-S247 WeakPolarHBondContact CA-OG 3.5Å; L244-S247 PolarHBondContact O-N 3.5Å; L244-S247 VanDerWaalsContact O-N 3.17Å; L244-S247 PolarHBondContact O-OG 3.24Å; L244-L248 HydrophobicContact CD2-CD1 4.15Å; L244-L248 HydrophobicContact CG-CD1 4.41Å; L244-L248 WeakPolarHBondContact O-CB 3.29Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 3.2Å
245V43.6Very low47.5Very low33 Ų3375.9 Ų75.920%0.237%0.369CS..Hα-helixtrans-68-35.5-178.6-170.30000110.2P221 S242 E243P221-V245 VanDerWaalsContact O-CG2 3.31Å; P221-V245 WeakPolarHBondContact O-CG2 3.43Å; S242-V245 PolarHBondContact O-N 3.34Å; E243-V245 PolarHBondContact O-N 3.27Å
246K47.7Very low50.2Low118 Ų11871.8 Ų71.851%0.51334%0.335SS..Hα-helixtrans-67.5-43.2172.9-67.9173.4-174.3164.30110.1M198 E240 E243 L244 L250M198-K246 HydrophobicContact CE-CB 4.21Å; E240-K246 WeakPolarHBondContact O-CE 3.46Å; E243-K246 PolarHBondContact O-N 2.9Å; L244-K246 VanDerWaalsContact C-N 3.26Å; L244-K246 PolarHBondContact O-N 3.47Å; K246-L250 VanDerWaalsContact O-CG 3.29Å; K246-L250 WeakPolarHBondContact O-CG 3.42Å
247S44.2Very low52.9Low1 Ų169.8 Ų69.81%0.00733%0.328CS..Hα-helixtrans-71-35.8-175.472.50000115.3M200 E243 L244 K249 L250M200-S247 WeakPolarHBondContact CE-OG 3.29Å; M200-S247 WeakPolarHBondContact SD-CB 3.5Å; M200-S247 PolarHBondContact SD-OG 3.17Å; M200-S247 VanDerWaalsContact SD-OG 3.35Å; E243-S247 WeakPolarHBondContact O-CB 3.43Å; E243-S247 PolarHBondContact O-N 2.91Å; E243-S247 PolarHBondContact O-OG 3.32Å; L244-S247 WeakPolarHBondContact CA-OG 3.5Å; L244-S247 PolarHBondContact O-N 3.5Å; L244-S247 VanDerWaalsContact O-N 3.17Å; L244-S247 PolarHBondContact O-OG 3.24Å; S247-K249 VanDerWaalsContact C-N 3.28Å; S247-K249 PolarHBondContact O-N 2.74Å; S247-L250 VanDerWaalsContact CA-CD1 3.49Å; S247-L250 WeakPolarHBondContact O-CB 3.42Å; S247-L250 WeakPolarHBondContact O-CG 3.5Å; S247-L250 PolarHBondContact O-N 3.5Å
248L47.1Very low55.8Low5 Ų559.4 Ų59.43%0.02629%0.291CS..Hα-helixtrans-70.1-26.6179.6-67.8168.8000112.8S119 W220 L244 L250S119-L248 WeakPolarHBondContact OG-CD2 3.47Å; W220-L248 HydrophobicContact CB-CD1 3.96Å; W220-L248 HydrophobicContact CD2-CD1 3.89Å; W220-L248 HydrophobicContact CD2-CD2 3.93Å; W220-L248 HydrophobicContact CD2-CG 4.48Å; W220-L248 HydrophobicContact CE3-CD1 3.41Å; W220-L248 VanDerWaalsContact CE3-CD1 3.41Å; W220-L248 HydrophobicContact CE3-CD2 3.35Å; W220-L248 HydrophobicContact CE3-CG 4.01Å; W220-L248 HydrophobicContact CG-CD1 4.13Å; W220-L248 HydrophobicContact CH2-CD2 3.99Å; W220-L248 HydrophobicContact CZ3-CD1 4.23Å; W220-L248 HydrophobicContact CZ3-CD2 3.36Å; W220-L248 HydrophobicContact CZ3-CG 4.44Å; L244-L248 HydrophobicContact CD2-CD1 4.15Å; L244-L248 HydrophobicContact CG-CD1 4.41Å; L244-L248 WeakPolarHBondContact O-CB 3.29Å; L244-L248 WeakPolarHBondContact O-CG 3.45Å; L244-L248 PolarHBondContact O-N 3.2Å; L248-L250 VanDerWaalsContact C-N 3.28Å
249K50Low58.3Low136 Ų13650.1 Ų50.159%0.59125%0.254SS*.THydrogen-bonded Turntrans-79.5-7.3169.6-68.4-178.1-179.3178.10113S247S247-K249 VanDerWaalsContact C-N 3.28Å; S247-K249 PolarHBondContact O-N 2.74Å
250L55.7Low61Low20 Ų2045.5 Ų45.511%0.10523%0.229CC..SBendtrans-76.2144.2178.6-57.4171000110.3L118 I161 N163 K246 S247 L248L118-L250 PolarHBondContact N-O 3.27Å; I161-L250 HydrophobicContact CG2-CB 3.4Å; I161-L250 VanDerWaalsContact CG2-CB 3.4Å; I161-L250 HydrophobicContact CG2-CD1 3.13Å; I161-L250 HydrophobicContact CG2-CD2 4.35Å; I161-L250 HydrophobicContact CG2-CG 3.72Å; N163-L250 HydrophobicContact CB-CD2 4.19Å; K246-L250 VanDerWaalsContact O-CG 3.29Å; K246-L250 WeakPolarHBondContact O-CG 3.42Å; S247-L250 VanDerWaalsContact CA-CD1 3.49Å; S247-L250 WeakPolarHBondContact O-CB 3.42Å; S247-L250 WeakPolarHBondContact O-CG 3.5Å; S247-L250 PolarHBondContact O-N 3.5Å; L248-L250 VanDerWaalsContact C-N 3.28Å
251V60.5Low63.5Low12 Ų1237.4 Ų37.47%0.07319%0.192CC..EExtended strand (participates in β ladder)trans-91121.5177.4165.70000108.5R115 G116 V162 W167R115-V251 HydrophobicContact CB-CG1 3.41Å; R115-V251 VanDerWaalsContact CB-CG1 3.41Å; R115-V251 HydrophobicContact CG-CG1 3.7Å; G116-V251 WeakPolarHBondContact O-CA 3.46Å; V162-V251 PolarHBondContact N-O 2.92Å; V162-V251 PolarHBondContact O-N 3.42Å; W167-V251 HydrophobicContact CH2-CG2 3.69Å; W167-V251 HydrophobicContact CZ2-CB 3.83Å; W167-V251 HydrophobicContact CZ2-CG1 4.19Å; W167-V251 HydrophobicContact CZ2-CG2 3.43Å; W167-V251 VanDerWaalsContact CZ2-CG2 3.43Å
252V65.1Low66Low1 Ų135.5 Ų35.51%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-98131.6177.7-1780000109G116 L118 L121 L159 Q160 I161G116-V252 PolarHBondContact O-N 3.48Å; L118-V252 HydrophobicContact CB-CG2 3.91Å; L118-V252 HydrophobicContact CD1-CG2 4.04Å; L118-V252 HydrophobicContact CG-CG2 4.36Å; L121-V252 HydrophobicContact CD1-CB 4.42Å; L159-V252 HydrophobicContact CB-CG1 3.84Å; L159-V252 HydrophobicContact CD1-CG1 4.22Å; L159-V252 HydrophobicContact CD2-CG1 4.14Å; L159-V252 HydrophobicContact CG-CG1 4.28Å; Q160-V252 WeakPolarHBondContact O-CA 3.48Å; I161-V252 HydrophobicContact CG1-CG2 4.28Å
253C69.9Low68.4Low7 Ų733 Ų335%0.04716%0.159CC..EExtended strand (participates in β ladder)trans-139.8150.5172.661.90000111.5Q160 N255Q160-C253 PolarHBondContact N-O 3.47Å; Q160-C253 PolarHBondContact O-N 2.95Å; C253-N255 PolarHBondContact O-N 2.5Å
254P76.9Confident70.5Confident8 Ų827.3 Ų27.35%0.05213%0.133CC..EExtended strand (participates in β ladder)trans-54.4127.6168.3-27.136.1000112R81 F84 M107 L159 I256 L259R81-P254 PolarHBondContact NH1-O 2.94Å; F84-P254 HydrophobicContact CZ-CB 4.39Å; M107-P254 HydrophobicContact CE-CB 3.84Å; M107-P254 HydrophobicContact CE-CG 3.98Å; L159-P254 HydrophobicContact CD2-CG 4.5Å; P254-I256 PolarHBondContact O-N 2.9Å; P254-L259 HydrophobicContact CB-CD1 4.17Å
255N81.4Confident73Confident21 Ų2126.9 Ų26.911%0.11213%0.13CC..  trans-79.1114170.6-170.2-15.3000109.4N157 V158 Q160 C253 Q257 T258 L259N157-N255 WeakPolarHBondContact O-CB 3.35Å; N157-N255 PolarHBondContact O-ND2 2.68Å; V158-N255 PolarHBondContact O-N 3.32Å; Q160-N255 HydrophobicContact CB-CB 4.29Å; C253-N255 PolarHBondContact O-N 2.5Å; N255-Q257 VanDerWaalsContact C-N 3.31Å; N255-Q257 PolarHBondContact O-N 3.47Å; N255-Q257 WeakPolarHBondContact OD1-CB 3.24Å; N255-Q257 PolarHBondContact OD1-N 3.17Å; N255-T258 PolarHBondContact ND2-OG1 2.73Å; N255-T258 VanDerWaalsContact ND2-OG1 3.11Å; N255-L259 WeakPolarHBondContact O-CG 3.43Å; N255-L259 PolarHBondContact O-N 3.36Å
256I83.7Confident75.3Confident9 Ų929.4 Ų29.45%0.04614%0.136CC..Hα-helixtrans-63.3-41.5177.9-74.6177.5000110.8R81 F84 P254 T258 L259 E260R81-I256 HydrophobicContact CG-CD1 3.97Å; R81-I256 VanDerWaalsContact CZ-CD1 3.45Å; R81-I256 VanDerWaalsContact NE-CD1 3.35Å; R81-I256 VanDerWaalsContact NH1-CG1 3.32Å; F84-I256 HydrophobicContact CB-CD1 3.75Å; F84-I256 HydrophobicContact CB-CG1 4.4Å; F84-I256 HydrophobicContact CD2-CD1 3.87Å; F84-I256 HydrophobicContact CD2-CG1 3.54Å; F84-I256 HydrophobicContact CE2-CG1 3.88Å; F84-I256 HydrophobicContact CG-CD1 3.82Å; F84-I256 HydrophobicContact CG-CG1 3.96Å; P254-I256 PolarHBondContact O-N 2.9Å; I256-T258 VanDerWaalsContact C-N 3.34Å; I256-T258 PolarHBondContact O-N 2.9Å; I256-L259 PolarHBondContact O-N 2.89Å; I256-L259 VanDerWaalsContact O-N 3.16Å; I256-E260 HydrophobicContact CG2-CG 3.99Å; I256-E260 WeakPolarHBondContact O-CB 3.39Å; I256-E260 WeakPolarHBondContact O-CG 3.35Å; I256-E260 PolarHBondContact O-N 2.85Å
257Q85.4Confident77.6Confident119 Ų11924.2 Ų24.256%0.55611%0.114SC*.Hα-helixtrans-64.2-42.3-173.8-64.7-178.5-16.700111N255 E260 T261N255-Q257 VanDerWaalsContact C-N 3.31Å; N255-Q257 PolarHBondContact O-N 3.47Å; N255-Q257 WeakPolarHBondContact OD1-CB 3.24Å; N255-Q257 PolarHBondContact OD1-N 3.17Å; Q257-E260 PolarHBondContact O-N 3.45Å; Q257-T261 WeakPolarHBondContact O-CG2 3.25Å; Q257-T261 PolarHBondContact O-N 2.89Å; Q257-T261 PolarHBondContact O-OG1 2.82Å
258T86.4Confident80Confident23 Ų2324.2 Ų24.214%0.14111%0.114CC..Hα-helixtrans-66-37.8175.6-47.10000112.2T156 N157 V158 N255 I256 E260 T261 M262T156-T258 WeakPolarHBondContact O-CG2 3.34Å; N157-T258 WeakPolarHBondContact O-CB 3.47Å; N157-T258 PolarHBondContact O-OG1 3.18Å; V158-T258 HydrophobicContact CG2-CG2 3.86Å; N255-T258 PolarHBondContact ND2-OG1 2.73Å; N255-T258 VanDerWaalsContact ND2-OG1 3.11Å; I256-T258 VanDerWaalsContact C-N 3.34Å; I256-T258 PolarHBondContact O-N 2.9Å; T258-E260 VanDerWaalsContact C-N 3.35Å; T258-T261 WeakPolarHBondContact CA-OG1 3.44Å; T258-T261 PolarHBondContact O-N 3.35Å; T258-T261 PolarHBondContact O-OG1 3.11Å; T258-M262 VanDerWaalsContact O-CG 3.28Å; T258-M262 WeakPolarHBondContact O-CG 3.48Å; T258-M262 PolarHBondContact O-N 2.91Å
259L87.2Confident82.2Confident0 Ų024.1 Ų24.10%011%0.114CC..Hα-helixtrans-68.6-36.5176.1-70.3173.1000111.9F84 F91 V95 M107 V158 P254 N255 I256 M262 W263F84-L259 HydrophobicContact CE2-CD1 3.6Å; F84-L259 HydrophobicContact CZ-CD1 3.65Å; F91-L259 HydrophobicContact CB-CD1 4.16Å; F91-L259 HydrophobicContact CB-CD2 4.22Å; F91-L259 HydrophobicContact CD1-CB 3.7Å; F91-L259 HydrophobicContact CD2-CD1 4.49Å; F91-L259 HydrophobicContact CE1-CB 3.93Å; F91-L259 HydrophobicContact CG-CB 4.09Å; F91-L259 HydrophobicContact CG-CD1 4.21Å; F91-L259 HydrophobicContact CZ-CB 4.48Å; V95-L259 HydrophobicContact CG2-CD2 3.88Å; M107-L259 HydrophobicContact CE-CD1 3.95Å; M107-L259 HydrophobicContact CE-CD2 4.24Å; V158-L259 HydrophobicContact CG1-CD2 4Å; P254-L259 HydrophobicContact CB-CD1 4.17Å; N255-L259 WeakPolarHBondContact O-CG 3.43Å; N255-L259 PolarHBondContact O-N 3.36Å; I256-L259 PolarHBondContact O-N 2.89Å; I256-L259 VanDerWaalsContact O-N 3.16Å; L259-M262 HydrophobicContact CD2-SD 4.25Å; L259-W263 WeakPolarHBondContact O-CB 3.29Å; L259-W263 PolarHBondContact O-N 3.24Å
260E90.1Very high84.3Confident18 Ų1820.8 Ų20.88%0.08410%0.1CC..Hα-helixtrans-66.3-38172.5-73.9-168162.700112R87 I256 Q257 T258 W263 R264 I300 F557 R564R87-E260 IonicContact NH1-OE1 3.48Å; I256-E260 HydrophobicContact CG2-CG 3.99Å; I256-E260 WeakPolarHBondContact O-CB 3.39Å; I256-E260 WeakPolarHBondContact O-CG 3.35Å; I256-E260 PolarHBondContact O-N 2.85Å; Q257-E260 PolarHBondContact O-N 3.45Å; T258-E260 VanDerWaalsContact C-N 3.35Å; E260-W263 PolarHBondContact O-N 2.9Å; E260-R264 WeakPolarHBondContact O-CB 3.43Å; E260-R264 PolarHBondContact O-N 3.36Å; E260-I300 HydrophobicContact CB-CD1 3.96Å; E260-I300 HydrophobicContact CB-CG1 4.31Å; E260-F557 HydrophobicContact CB-CE2 3.78Å; E260-F557 HydrophobicContact CB-CZ 4.03Å; E260-F557 HydrophobicContact CG-CE2 3.74Å; E260-F557 HydrophobicContact CG-CZ 4.44Å; E260-F557 WeakPolarHBondContact O-CZ 3.3Å; E260-R564 IonicContact OE1-NH2 2.86Å; E260-R564 IonicContact OE2-CZ 3.83Å; E260-R564 IonicContact OE2-NH1 2.78Å; E260-R564 PolarHBondContact OE2-NH1 3.39Å; E260-R564 IonicContact OE2-NH2 2.6Å; E260-R564 PolarHBondContact OE2-NH2 3.02Å
261T90.4Very high86.1Confident8 Ų820.2 Ų20.25%0.04910%0.097CC..Hα-helixtrans-68-42.2176.6600000111.2Q257 T258 W263 R264 D265 T298 I300Q257-T261 WeakPolarHBondContact O-CG2 3.25Å; Q257-T261 PolarHBondContact O-N 2.89Å; Q257-T261 PolarHBondContact O-OG1 2.82Å; T258-T261 WeakPolarHBondContact CA-OG1 3.44Å; T258-T261 PolarHBondContact O-N 3.35Å; T258-T261 PolarHBondContact O-OG1 3.11Å; T261-W263 VanDerWaalsContact C-N 3.26Å; T261-W263 PolarHBondContact O-N 3.03Å; T261-R264 WeakPolarHBondContact O-CB 3.24Å; T261-R264 PolarHBondContact O-N 3.1Å; T261-D265 PolarHBondContact O-N 3.41Å; T261-T298 WeakPolarHBondContact CG2-O 3.36Å; T261-I300 HydrophobicContact CG2-CB 3.81Å; T261-I300 HydrophobicContact CG2-CD1 4.01Å; T261-I300 HydrophobicContact CG2-CG1 4.48Å
262M90.2Very high87.7Confident18 Ų1819.7 Ų19.79%0.0899%0.094CC..Hα-helixtrans-58.1-40171.2-69.8174.971.900111.8V95 Y98 Y99 V158 T258 L259 R266V95-M262 HydrophobicContact CG2-CE 4.49Å; Y98-M262 HydrophobicContact CD2-CE 3.31Å; Y98-M262 HydrophobicContact CE2-CE 4.01Å; Y98-M262 HydrophobicContact CG-CE 3.9Å; Y99-M262 HydrophobicContact CD2-CE 4.42Å; Y99-M262 HydrophobicContact CE2-CE 3.8Å; Y99-M262 HydrophobicContact CE2-SD 4.38Å; V158-M262 HydrophobicContact CG2-SD 3.92Å; T258-M262 VanDerWaalsContact O-CG 3.28Å; T258-M262 WeakPolarHBondContact O-CG 3.48Å; T258-M262 PolarHBondContact O-N 2.91Å; L259-M262 HydrophobicContact CD2-SD 4.25Å; M262-R266 WeakPolarHBondContact O-CB 3.3Å; M262-R266 PolarHBondContact O-N 3.21Å
263W92.5Very high89.1Confident2 Ų221.4 Ų21.41%0.00811%0.106CC..Hα-helixtrans-70-43.2178.3-167.917.5000112.2L90 F91 L94 L259 E260 T261 D265 R266 L267 Y550 H553 F557L90-W263 HydrophobicContact CD1-CH2 4.46Å; L90-W263 HydrophobicContact CD1-CZ2 4.31Å; F91-W263 HydrophobicContact CE1-CB 4.19Å; F91-W263 HydrophobicContact CE1-CD2 4.39Å; F91-W263 AromaticContact CE1-CE3 3.93Å; F91-W263 HydrophobicContact CE1-CE3 3.93Å; F91-W263 HydrophobicContact CZ-CE3 4.06Å; F91-W263 HydrophobicContact CZ-CZ3 4.45Å; L94-W263 HydrophobicContact CD1-CB 3.74Å; L94-W263 HydrophobicContact CD1-CG 3.98Å; L259-W263 WeakPolarHBondContact O-CB 3.29Å; L259-W263 PolarHBondContact O-N 3.24Å; E260-W263 PolarHBondContact O-N 2.9Å; T261-W263 VanDerWaalsContact C-N 3.26Å; T261-W263 PolarHBondContact O-N 3.03Å; W263-D265 VanDerWaalsContact C-N 3.32Å; W263-D265 PolarHBondContact O-N 3.34Å; W263-R266 PolarHBondContact O-N 3.3Å; W263-L267 HydrophobicContact CG-CD1 4.48Å; W263-L267 VanDerWaalsContact O-CG 3.31Å; W263-L267 WeakPolarHBondContact O-CG 3.45Å; W263-L267 PolarHBondContact O-N 2.89Å; W263-Y550 HydrophobicContact CZ2-CE2 4.36Å; W263-H553 HydrophobicContact CH2-CB 4.16Å; W263-H553 WeakPolarHBondContact CH2-O 3.43Å; W263-F557 HydrophobicContact CB-CE1 4.41Å; W263-F557 AromaticContact CD2-CD1 3.95Å; W263-F557 HydrophobicContact CD2-CD1 3.95Å; W263-F557 HydrophobicContact CD2-CE1 4.18Å; W263-F557 HydrophobicContact CD2-CG 4.29Å; W263-F557 HydrophobicContact CE3-CB 4.11Å; W263-F557 AromaticContact CE3-CD1 3.69Å; W263-F557 HydrophobicContact CE3-CD1 3.69Å; W263-F557 AromaticContact CE3-CD2 3.84Å; W263-F557 HydrophobicContact CE3-CD2 3.84Å; W263-F557 HydrophobicContact CE3-CE1 4.03Å; W263-F557 HydrophobicContact CE3-CE2 4.19Å; W263-F557 AromaticContact CE3-CG 3.58Å; W263-F557 HydrophobicContact CE3-CG 3.58Å; W263-F557 HydrophobicContact CE3-CZ 4.27Å; W263-F557 HydrophobicContact CG-CE1 4.35Å; W263-F557 HydrophobicContact CH2-CB 3.68Å; W263-F557 HydrophobicContact CH2-CD1 4.46Å; W263-F557 HydrophobicContact CH2-CG 4.09Å; W263-F557 HydrophobicContact CZ2-CB 4.46Å; W263-F557 HydrophobicContact CZ3-CB 3.47Å; W263-F557 VanDerWaalsContact CZ3-CB 3.47Å; W263-F557 AromaticContact CZ3-CD1 3.97Å; W263-F557 HydrophobicContact CZ3-CD1 3.97Å; W263-F557 AromaticContact CZ3-CD2 3.84Å; W263-F557 HydrophobicContact CZ3-CD2 3.84Å; W263-F557 AromaticContact CZ3-CG 3.47Å; W263-F557 HydrophobicContact CZ3-CG 3.47Å; W263-F557 VanDerWaalsContact CZ3-CG 3.47Å
264R93.1Very high90.2Very high0 Ų026.4 Ų26.40%013%0.129CC..Hα-helixtrans-52-52.5171.7175.5-162.968.8-156.5-6.6110.6E260 T261 R266 L267 I268 G299 I300 Y354 I358 F557 L561E260-R264 WeakPolarHBondContact O-CB 3.43Å; E260-R264 PolarHBondContact O-N 3.36Å; T261-R264 WeakPolarHBondContact O-CB 3.24Å; T261-R264 PolarHBondContact O-N 3.1Å; R264-R266 VanDerWaalsContact C-N 3.31Å; R264-R266 PolarHBondContact O-N 3.44Å; R264-L267 PolarHBondContact O-N 3.41Å; R264-L267 VanDerWaalsContact O-N 3.13Å; R264-I268 HydrophobicContact CG-CD1 3.89Å; R264-I268 WeakPolarHBondContact O-CG1 3.4Å; R264-I268 PolarHBondContact O-N 3.43Å; R264-G299 PolarHBondContact NH1-O 3.26Å; R264-I300 HydrophobicContact CB-CD1 4.42Å; R264-Y354 VanDerWaalsContact CZ-CZ 3.47Å; R264-Y354 VanDerWaalsContact NH2-CZ 3.26Å; R264-Y354 PolarHBondContact NH2-OH 2.88Å; R264-I358 HydrophobicContact CG-CD1 3.99Å; R264-F557 HydrophobicContact CB-CE1 4.29Å; R264-F557 HydrophobicContact CB-CZ 4.35Å; R264-L561 HydrophobicContact CB-CD2 4.12Å; R264-L561 HydrophobicContact CG-CD2 3.67Å
265D92.2Very high90.9Very high5 Ų530 Ų303%0.02714%0.144CC..Hα-helixtrans-63.7-40.5-175.7-64.7-8000110.7T261 W263 L267 I268 C269 L288 T292T261-D265 PolarHBondContact O-N 3.41Å; W263-D265 VanDerWaalsContact C-N 3.32Å; W263-D265 PolarHBondContact O-N 3.34Å; D265-L267 VanDerWaalsContact C-N 3.35Å; D265-L267 PolarHBondContact O-N 3.41Å; D265-I268 PolarHBondContact O-N 2.95Å; D265-C269 PolarHBondContact O-N 3.49Å; D265-C269 PolarHBondContact O-SG 3.23Å; D265-L288 HydrophobicContact CB-CB 4.3Å; D265-L288 HydrophobicContact CB-CD1 3.81Å; D265-T292 WeakPolarHBondContact OD2-CG2 3.41Å
266R92.8Very high91.4Very high87 Ų8731.1 Ų31.133%0.32815%0.149SC..Hα-helixtrans-60-42173.6-177.166.2176.899.7-8.9112.8L94 M262 W263 R264 C269 Q270L94-R266 HydrophobicContact CD2-CB 3.9Å; L94-R266 HydrophobicContact CD2-CG 3.82Å; M262-R266 WeakPolarHBondContact O-CB 3.3Å; M262-R266 PolarHBondContact O-N 3.21Å; W263-R266 PolarHBondContact O-N 3.3Å; R264-R266 VanDerWaalsContact C-N 3.31Å; R264-R266 PolarHBondContact O-N 3.44Å; R266-C269 PolarHBondContact O-N 3.14Å; R266-Q270 WeakPolarHBondContact O-CB 3.34Å; R266-Q270 PolarHBondContact O-N 2.97Å
267L94.3Very high91.8Very high9 Ų932.2 Ų32.25%0.04716%0.163CC..Hα-helixtrans-68.1-37.9179-68.9172.2000111.8W263 R264 D265 Q270 L271 L361 T554 F557 V558W263-L267 HydrophobicContact CG-CD1 4.48Å; W263-L267 VanDerWaalsContact O-CG 3.31Å; W263-L267 WeakPolarHBondContact O-CG 3.45Å; W263-L267 PolarHBondContact O-N 2.89Å; R264-L267 PolarHBondContact O-N 3.41Å; R264-L267 VanDerWaalsContact O-N 3.13Å; D265-L267 VanDerWaalsContact C-N 3.35Å; D265-L267 PolarHBondContact O-N 3.41Å; L267-Q270 PolarHBondContact O-N 3.33Å; L267-L271 WeakPolarHBondContact O-CB 3.38Å; L267-L271 PolarHBondContact O-N 2.91Å; L267-L361 HydrophobicContact CB-CD2 4Å; L267-T554 HydrophobicContact CD1-CG2 4.08Å; L267-T554 HydrophobicContact CD2-CG2 3.62Å; L267-F557 HydrophobicContact CD1-CD1 3.77Å; L267-F557 HydrophobicContact CD1-CE1 4.02Å; L267-V558 HydrophobicContact CD1-CG2 3.93Å
268I94.3Very high92.1Very high0 Ų033.6 Ų33.60%017%0.169CC..Hα-helixtrans-62.9-46.6173.9-69.5170.4000110.5R264 D265 Q270 L271 A272 L284 L288 Y354 V357 I358R264-I268 HydrophobicContact CG-CD1 3.89Å; R264-I268 WeakPolarHBondContact O-CG1 3.4Å; R264-I268 PolarHBondContact O-N 3.43Å; D265-I268 PolarHBondContact O-N 2.95Å; I268-Q270 VanDerWaalsContact C-N 3.33Å; I268-Q270 PolarHBondContact O-N 3.17Å; I268-L271 WeakPolarHBondContact O-CB 3.35Å; I268-L271 PolarHBondContact O-N 3.37Å; I268-A272 PolarHBondContact O-N 3.19Å; I268-L284 HydrophobicContact CG2-CD2 3.58Å; I268-L284 HydrophobicContact CG2-CG 4.32Å; I268-L288 HydrophobicContact CB-CD1 4.46Å; I268-L288 HydrophobicContact CG2-CD1 4.19Å; I268-Y354 HydrophobicContact CD1-CD1 3.62Å; I268-Y354 HydrophobicContact CD1-CE1 3.92Å; I268-V357 HydrophobicContact CB-CG1 4.45Å; I268-V357 HydrophobicContact CD1-CG1 4.37Å; I268-V357 HydrophobicContact CG1-CG1 3.91Å; I268-V357 HydrophobicContact CG2-CG1 3.97Å; I268-I358 HydrophobicContact CD1-CD1 4.11Å; I268-I358 HydrophobicContact CG1-CD1 4.08Å
269C93.9Very high92.4Very high4 Ų435.6 Ų35.63%0.02718%0.178CC..Hα-helixtrans-62.7-42177.6-61.30000111.3D265 R266 L271 A272 S273 S285D265-C269 PolarHBondContact O-N 3.49Å; D265-C269 PolarHBondContact O-SG 3.23Å; R266-C269 PolarHBondContact O-N 3.14Å; C269-L271 VanDerWaalsContact C-N 3.32Å; C269-L271 PolarHBondContact O-N 2.84Å; C269-A272 PolarHBondContact O-N 3.38Å; C269-S273 PolarHBondContact O-N 3.4Å; C269-S273 PolarHBondContact O-OG 2.83Å; C269-S273 VanDerWaalsContact O-OG 3.05Å; C269-S285 WeakPolarHBondContact SG-CA 3.34Å; C269-S285 PolarHBondContact SG-N 3.06Å
270Q93.5Very high92.6Very high66 Ų6635.6 Ų35.631%0.30818%0.178SC..Hα-helixtrans-61.8-40.3175.7-175-179.9-21.300111.9R266 L267 I268 A272 S273 E274R266-Q270 WeakPolarHBondContact O-CB 3.34Å; R266-Q270 PolarHBondContact O-N 2.97Å; L267-Q270 PolarHBondContact O-N 3.33Å; I268-Q270 VanDerWaalsContact C-N 3.33Å; I268-Q270 PolarHBondContact O-N 3.17Å; Q270-A272 VanDerWaalsContact C-N 3.33Å; Q270-A272 PolarHBondContact O-N 2.85Å; Q270-S273 PolarHBondContact O-N 3.39Å; Q270-E274 HydrophobicContact CG-CG 4.45Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.25Å; Q270-E274 PolarHBondContact NE2-OE1 2.9Å; Q270-E274 WeakPolarHBondContact O-CB 3.37Å; Q270-E274 WeakPolarHBondContact O-CG 3.49Å; Q270-E274 PolarHBondContact O-N 3.02Å
271L94Very high92.7Very high8 Ų834.8 Ų34.84%0.04218%0.175CC..Hα-helixtrans-62-42175.8-179.461.9000111.7L267 I268 C269 E274 K275 V336 F338 L361 K364L267-L271 WeakPolarHBondContact O-CB 3.38Å; L267-L271 PolarHBondContact O-N 2.91Å; I268-L271 WeakPolarHBondContact O-CB 3.35Å; I268-L271 PolarHBondContact O-N 3.37Å; C269-L271 VanDerWaalsContact C-N 3.32Å; C269-L271 PolarHBondContact O-N 2.84Å; L271-E274 PolarHBondContact O-N 3.38Å; L271-K275 WeakPolarHBondContact O-CB 3.5Å; L271-K275 PolarHBondContact O-N 2.99Å; L271-K275 VanDerWaalsContact O-N 3.16Å; L271-V336 HydrophobicContact CD2-CG1 4.33Å; L271-F338 HydrophobicContact CB-CE1 4.25Å; L271-F338 HydrophobicContact CD2-CE1 4.01Å; L271-F338 HydrophobicContact CD2-CZ 4.28Å; L271-F338 HydrophobicContact CG-CE1 3.94Å; L271-F338 HydrophobicContact CG-CZ 3.94Å; L271-L361 HydrophobicContact CB-CD1 4.19Å; L271-L361 HydrophobicContact CD1-CD1 4.35Å; L271-L361 HydrophobicContact CD2-CB 3.97Å; L271-L361 HydrophobicContact CD2-CD1 3.97Å; L271-L361 HydrophobicContact CG-CD1 4.4Å; L271-K364 HydrophobicContact CD1-CD 3.4Å; L271-K364 VanDerWaalsContact CD1-CD 3.4Å
272A94.3Very high92.8Very high0 Ų038.1 Ų38.10%019%0.192CC..Hα-helixtrans-64.9-43.5175.100000111.7I268 C269 Q270 E274 K275 L276 L284 L331 F338I268-A272 PolarHBondContact O-N 3.19Å; C269-A272 PolarHBondContact O-N 3.38Å; Q270-A272 VanDerWaalsContact C-N 3.33Å; Q270-A272 PolarHBondContact O-N 2.85Å; A272-E274 VanDerWaalsContact C-N 3.34Å; A272-E274 PolarHBondContact O-N 2.74Å; A272-K275 PolarHBondContact O-N 3.42Å; A272-L276 PolarHBondContact O-N 3.24Å; A272-L284 HydrophobicContact CB-CD2 3.68Å; A272-L331 HydrophobicContact CB-CD2 4.35Å; A272-F338 HydrophobicContact CB-CD1 4.06Å; A272-F338 HydrophobicContact CB-CE1 3.8Å; A272-F338 HydrophobicContact CB-CE2 4.36Å; A272-F338 HydrophobicContact CB-CG 4.44Å; A272-F338 HydrophobicContact CB-CZ 3.96Å
273S94.6Very high92.9Very high37 Ų3737.3 Ų37.326%0.25919%0.188SC..Hα-helixtrans-59-43.5175.9-58.80000112.5C269 Q270 G277 G281C269-S273 PolarHBondContact O-N 3.4Å; C269-S273 PolarHBondContact O-OG 2.83Å; C269-S273 VanDerWaalsContact O-OG 3.05Å; Q270-S273 PolarHBondContact O-N 3.39Å; S273-G277 WeakPolarHBondContact CA-O 3.14Å; S273-G277 CarbonylContact O-C 3.58Å; S273-G277 VanDerWaalsContact O-CA 3.27Å; S273-G277 WeakPolarHBondContact O-CA 3.23Å; S273-G277 PolarHBondContact O-N 3.13Å; S273-G277 VanDerWaalsContact O-N 3.12Å; S273-G281 WeakPolarHBondContact OG-CA 3.27Å
274E93Very high92.9Very high113 Ų11337.2 Ų37.253%0.52819%0.188SC..Hα-helixtrans-70.8-28.7-178.9-73.2174.3-168.200113.1Q270 L271 A272 K364Q270-E274 HydrophobicContact CG-CG 4.45Å; Q270-E274 WeakPolarHBondContact CG-OE1 3.25Å; Q270-E274 PolarHBondContact NE2-OE1 2.9Å; Q270-E274 WeakPolarHBondContact O-CB 3.37Å; Q270-E274 WeakPolarHBondContact O-CG 3.49Å; Q270-E274 PolarHBondContact O-N 3.02Å; L271-E274 PolarHBondContact O-N 3.38Å; A272-E274 VanDerWaalsContact C-N 3.34Å; A272-E274 PolarHBondContact O-N 2.74Å; E274-K364 IonicContact OE2-NZ 3.39Å; E274-K364 PolarHBondContact OE2-NZ 2.92Å
275K91.9Very high92.9Very high84 Ų8438.4 Ų38.437%0.36520%0.196SC..Hα-helixtrans-95.1-43.3-176.3-166179.9-175.1-169.90113.4L271 A272 D334 E335 V336 F338L271-K275 WeakPolarHBondContact O-CB 3.5Å; L271-K275 PolarHBondContact O-N 2.99Å; L271-K275 VanDerWaalsContact O-N 3.16Å; A272-K275 PolarHBondContact O-N 3.42Å; K275-D334 WeakPolarHBondContact CE-OD1 3.19Å; K275-D334 IonicContact NZ-OD1 2.98Å; K275-D334 PolarHBondContact NZ-OD1 3.47Å; K275-D334 IonicContact NZ-OD2 2.73Å; K275-D334 PolarHBondContact NZ-OD2 3.2Å; K275-E335 IonicContact NZ-OE2 3.11Å; K275-V336 HydrophobicContact CD-CG2 4.11Å; K275-F338 HydrophobicContact CD-CE2 4.42Å
276L91.2Very high92.8Very high44 Ų4441.2 Ų41.223%0.2321%0.209CC..Hα-helixtrans-115.2-6.4-170.2-58.9175.6000113.5A272 C280 L331 D334 F338A272-L276 PolarHBondContact O-N 3.24Å; L276-C280 HydrophobicContact CB-CB 3.77Å; L276-L331 HydrophobicContact CD1-CD2 3.81Å; L276-L331 HydrophobicContact CD1-CG 4.35Å; L276-D334 HydrophobicContact CD1-CB 4.28Å; L276-D334 HydrophobicContact CD2-CB 4.4Å; L276-F338 HydrophobicContact CD1-CD2 3.82Å; L276-F338 HydrophobicContact CD1-CE2 3.83Å; L276-F338 HydrophobicContact CG-CE2 4.36Å
277G92Very high92.7Very high32 Ų3237 Ų3733%0.3319%0.193SC..  trans103.9162.6-179.400000114.1S273 I279 C280 G281S273-G277 WeakPolarHBondContact CA-O 3.14Å; S273-G277 CarbonylContact O-C 3.58Å; S273-G277 VanDerWaalsContact O-CA 3.27Å; S273-G277 WeakPolarHBondContact O-CA 3.23Å; S273-G277 PolarHBondContact O-N 3.13Å; S273-G277 VanDerWaalsContact O-N 3.12Å; G277-I279 PolarHBondContact O-N 3.43Å; G277-C280 WeakPolarHBondContact O-CB 3.49Å; G277-C280 PolarHBondContact O-N 3.29Å; G277-G281 PolarHBondContact O-N 2.97Å
278E92.6Very high92.6Very high147 Ų14736.8 Ų36.869%0.68719%0.192SC*.Hα-helixtrans-56.6-45-172.2-170.3169.5-167.100112.9C280 G281 D282E278-C280 VanDerWaalsContact C-N 3.31Å; E278-C280 PolarHBondContact O-N 3.41Å; E278-G281 WeakPolarHBondContact O-CA 3.36Å; E278-G281 PolarHBondContact O-N 3.03Å; E278-D282 PolarHBondContact O-N 2.95Å
279I92.3Very high92.3Very high66 Ų6638.7 Ų38.734%0.33821%0.205SC..Hα-helixtrans-58.2-41.3-179.7-57.4169.8000111.7G277 D282 I283 P321 Y327G277-I279 PolarHBondContact O-N 3.43Å; I279-D282 PolarHBondContact O-N 2.71Å; I279-I283 HydrophobicContact CG2-CD1 4.02Å; I279-I283 VanDerWaalsContact O-CG1 3.29Å; I279-I283 WeakPolarHBondContact O-CG1 3.34Å; I279-I283 PolarHBondContact O-N 3.3Å; I279-P321 HydrophobicContact CG2-CB 3.97Å; I279-P321 HydrophobicContact CG2-CG 3.76Å; I279-Y327 HydrophobicContact CB-CE1 4.41Å; I279-Y327 HydrophobicContact CD1-CE1 4.38Å; I279-Y327 HydrophobicContact CD1-CE2 4.42Å; I279-Y327 WeakPolarHBondContact CD1-OH 3.29Å; I279-Y327 HydrophobicContact CG2-CD1 4.4Å; I279-Y327 HydrophobicContact CG2-CD2 4.08Å; I279-Y327 HydrophobicContact CG2-CE1 4.35Å; I279-Y327 HydrophobicContact CG2-CE2 4.03Å; I279-Y327 HydrophobicContact CG2-CG 4.26Å
280C91.8Very high92.1Very high0 Ų039.3 Ų39.30%021%0.208CC..Hα-helixtrans-65.6-40177.7-70.70000111.6L276 G277 E278 D282 L284 L331L276-C280 HydrophobicContact CB-CB 3.77Å; G277-C280 WeakPolarHBondContact O-CB 3.49Å; G277-C280 PolarHBondContact O-N 3.29Å; E278-C280 VanDerWaalsContact C-N 3.31Å; E278-C280 PolarHBondContact O-N 3.41Å; C280-D282 VanDerWaalsContact C-N 3.35Å; C280-L284 WeakPolarHBondContact O-CB 3.33Å; C280-L284 PolarHBondContact O-N 3.02Å; C280-L331 HydrophobicContact CB-CD2 4.15Å; C280-L331 HydrophobicContact CB-CG 4.34Å
281G92.2Very high91.8Very high1 Ų136.2 Ų36.21%0.0119%0.194CC..Hα-helixtrans-65.6-37.4174.700000112.8S273 G277 E278 L284 S285S273-G281 WeakPolarHBondContact OG-CA 3.27Å; G277-G281 PolarHBondContact O-N 2.97Å; E278-G281 WeakPolarHBondContact O-CA 3.36Å; E278-G281 PolarHBondContact O-N 3.03Å; G281-L284 PolarHBondContact O-N 3.27Å; G281-S285 WeakPolarHBondContact O-CB 3.41Å; G281-S285 PolarHBondContact O-N 3.2Å
282D91.7Very high91.4Very high78 Ų7837.9 Ų37.942%0.41720%0.204SC..Hα-helixtrans-67.6-45176.5-69.6-20.3000111.8E278 I279 C280 L284 S285 H286E278-D282 PolarHBondContact O-N 2.95Å; I279-D282 PolarHBondContact O-N 2.71Å; C280-D282 VanDerWaalsContact C-N 3.35Å; D282-L284 VanDerWaalsContact C-N 3.28Å; D282-L284 PolarHBondContact O-N 3.1Å; D282-S285 WeakPolarHBondContact O-CB 3.44Å; D282-S285 PolarHBondContact O-N 2.77Å; D282-S285 VanDerWaalsContact O-N 3.16Å; D282-H286 PolarHBondContact O-CD2 3.42Å; D282-H286 PolarHBondContact O-N 2.81Å
283I92.4Very high90.8Very high0 Ų041.6 Ų41.60%024%0.235CC..Hα-helixtrans-56.8-45.3174.1-69.6166.6000110.3I279 H286 L287 L313 M317 I324 Y327 I328 L331I279-I283 HydrophobicContact CG2-CD1 4.02Å; I279-I283 VanDerWaalsContact O-CG1 3.29Å; I279-I283 WeakPolarHBondContact O-CG1 3.34Å; I279-I283 PolarHBondContact O-N 3.3Å; I283-H286 PolarHBondContact O-N 2.82Å; I283-L287 PolarHBondContact O-N 3.45Å; I283-L313 HydrophobicContact CG2-CD2 4.09Å; I283-M317 HydrophobicContact CG1-CE 4.06Å; I283-M317 HydrophobicContact CG1-SD 4.4Å; I283-I324 HydrophobicContact CD1-CG1 4.25Å; I283-Y327 HydrophobicContact CD1-CD2 4.47Å; I283-Y327 HydrophobicContact CD1-CG 4.23Å; I283-I328 HydrophobicContact CG2-CG1 4.48Å; I283-L331 HydrophobicContact CB-CD1 4.38Å; I283-L331 HydrophobicContact CG2-CD1 4.03Å
284L92.9Very high90.2Very high0 Ų041.7 Ų41.70%024%0.238CC..Hα-helixtrans-65.9-38.5178.2-171.257.1000112I268 A272 C280 G281 D282 L287 L288 F338 L339I268-L284 HydrophobicContact CG2-CD2 3.58Å; I268-L284 HydrophobicContact CG2-CG 4.32Å; A272-L284 HydrophobicContact CB-CD2 3.68Å; C280-L284 WeakPolarHBondContact O-CB 3.33Å; C280-L284 PolarHBondContact O-N 3.02Å; G281-L284 PolarHBondContact O-N 3.27Å; D282-L284 VanDerWaalsContact C-N 3.28Å; D282-L284 PolarHBondContact O-N 3.1Å; L284-L287 PolarHBondContact O-N 3.45Å; L284-L288 HydrophobicContact CD1-CG 4.41Å; L284-L288 HydrophobicContact CG-CD1 4.3Å; L284-L288 WeakPolarHBondContact O-CG 3.29Å; L284-L288 PolarHBondContact O-N 2.96Å; L284-F338 HydrophobicContact CD2-CB 4.28Å; L284-F338 HydrophobicContact CD2-CD1 3.89Å; L284-F338 HydrophobicContact CD2-CG 4.36Å; L284-L339 HydrophobicContact CD1-CD2 3.78Å; L284-L339 HydrophobicContact CD1-CG 4.35Å
285S92.1Very high89.4Confident26 Ų2640.6 Ų40.618%0.18224%0.235CC..Hα-helixtrans-61.1-45.9174.7-178.30000111.4C269 G281 D282 L287 L288 C289C269-S285 WeakPolarHBondContact SG-CA 3.34Å; C269-S285 PolarHBondContact SG-N 3.06Å; G281-S285 WeakPolarHBondContact O-CB 3.41Å; G281-S285 PolarHBondContact O-N 3.2Å; D282-S285 WeakPolarHBondContact O-CB 3.44Å; D282-S285 PolarHBondContact O-N 2.77Å; D282-S285 VanDerWaalsContact O-N 3.16Å; S285-L287 VanDerWaalsContact C-N 3.34Å; S285-L287 PolarHBondContact O-N 3.12Å; S285-L288 PolarHBondContact O-N 2.93Å; S285-C289 VanDerWaalsContact O-CB 3.28Å; S285-C289 WeakPolarHBondContact O-CB 3.48Å; S285-C289 PolarHBondContact O-N 3.16Å; S285-C289 PolarHBondContact O-SG 3.29Å
286H91Very high88.7Confident63 Ų6340.7 Ų40.729%0.29223%0.234SC..Hα-helixtrans-61.2-42.4175.5-80.3-71.1000112.3D282 I283 C289 I290 L313 M317D282-H286 PolarHBondContact O-CD2 3.42Å; D282-H286 PolarHBondContact O-N 2.81Å; I283-H286 PolarHBondContact O-N 2.82Å; H286-C289 PolarHBondContact O-N 2.95Å; H286-I290 WeakPolarHBondContact O-CD1 3.38Å; H286-I290 VanDerWaalsContact O-CG1 3.29Å; H286-I290 WeakPolarHBondContact O-CG1 3.31Å; H286-I290 PolarHBondContact O-N 3.22Å; H286-L313 HydrophobicContact CB-CD1 3.94Å; H286-M317 HydrophobicContact CB-CG 4.38Å
287L91.6Very high87.5Confident0 Ų040.1 Ų40.10%024%0.238CC..Hα-helixtrans-61.5-48.8177.5-174.6149.7000112I283 L284 S285 I290 A291 V308 L313 L339I283-L287 PolarHBondContact O-N 3.45Å; L284-L287 PolarHBondContact O-N 3.45Å; S285-L287 VanDerWaalsContact C-N 3.34Å; S285-L287 PolarHBondContact O-N 3.12Å; L287-I290 PolarHBondContact O-N 2.9Å; L287-A291 PolarHBondContact O-N 3.38Å; L287-V308 HydrophobicContact CD1-CB 4.47Å; L287-V308 HydrophobicContact CD2-CG2 4.35Å; L287-V308 HydrophobicContact CG-CB 4.05Å; L287-V308 HydrophobicContact CG-CG1 4.39Å; L287-V308 HydrophobicContact CG-CG2 4.13Å; L287-L313 HydrophobicContact CB-CD1 4.12Å; L287-L339 HydrophobicContact CD1-CD1 4.09Å; L287-L339 HydrophobicContact CD1-CD2 3.61Å; L287-L339 HydrophobicContact CD2-CD2 4.11Å; L287-L339 HydrophobicContact CG-CD2 4.49Å
288L91.4Very high86.4Confident3 Ų340.4 Ų40.42%0.01623%0.233CC..Hα-helixtrans-68-35.2179.2-64.7178.7000111.8D265 I268 L284 S285 I290 A291 T292 C352 Y354D265-L288 HydrophobicContact CB-CB 4.3Å; D265-L288 HydrophobicContact CB-CD1 3.81Å; I268-L288 HydrophobicContact CB-CD1 4.46Å; I268-L288 HydrophobicContact CG2-CD1 4.19Å; L284-L288 HydrophobicContact CD1-CG 4.41Å; L284-L288 HydrophobicContact CG-CD1 4.3Å; L284-L288 WeakPolarHBondContact O-CG 3.29Å; L284-L288 PolarHBondContact O-N 2.96Å; S285-L288 PolarHBondContact O-N 2.93Å; L288-I290 VanDerWaalsContact C-N 3.35Å; L288-I290 PolarHBondContact O-N 3.03Å; L288-A291 PolarHBondContact O-N 3.3Å; L288-T292 WeakPolarHBondContact O-CB 3.42Å; L288-T292 VanDerWaalsContact O-CG2 3.31Å; L288-T292 WeakPolarHBondContact O-CG2 3.48Å; L288-T292 PolarHBondContact O-N 2.86Å; L288-T292 PolarHBondContact O-OG1 2.99Å; L288-C352 HydrophobicContact CD2-CB 3.92Å; L288-Y354 HydrophobicContact CD2-CE1 3.96Å
289C88.5Confident85.7Confident40 Ų4035.1 Ų35.127%0.2722%0.219SC..Hα-helixtrans-60.2-41.1171.5-78.10000112.7Y98 S285 H286 T292 A293Y98-C289 VanDerWaalsContact CE1-SG 3.57Å; S285-C289 VanDerWaalsContact O-CB 3.28Å; S285-C289 WeakPolarHBondContact O-CB 3.48Å; S285-C289 PolarHBondContact O-N 3.16Å; S285-C289 PolarHBondContact O-SG 3.29Å; H286-C289 PolarHBondContact O-N 2.95Å; C289-T292 VanDerWaalsContact CA-OG1 3.28Å; C289-T292 WeakPolarHBondContact CA-OG1 3.47Å; C289-T292 PolarHBondContact O-OG1 2.92Å; C289-A293 VanDerWaalsContact O-CB 3.23Å; C289-A293 WeakPolarHBondContact O-CB 3.49Å; C289-A293 PolarHBondContact O-N 2.8Å
290I88.5Confident85.2Confident18 Ų1832.5 Ų32.59%0.09221%0.205CC..Hα-helixtrans-65.7-47.9175.5-68.9160.2000110.4H286 L287 L288 T292 A293 A294 V308 E312 L313H286-I290 WeakPolarHBondContact O-CD1 3.38Å; H286-I290 VanDerWaalsContact O-CG1 3.29Å; H286-I290 WeakPolarHBondContact O-CG1 3.31Å; H286-I290 PolarHBondContact O-N 3.22Å; L287-I290 PolarHBondContact O-N 2.9Å; L288-I290 VanDerWaalsContact C-N 3.35Å; L288-I290 PolarHBondContact O-N 3.03Å; I290-T292 VanDerWaalsContact C-N 3.26Å; I290-T292 PolarHBondContact O-N 3.38Å; I290-A293 PolarHBondContact O-N 2.94Å; I290-A294 WeakPolarHBondContact O-CB 3.29Å; I290-A294 PolarHBondContact O-N 3.33Å; I290-V308 HydrophobicContact CB-CG1 4.28Å; I290-V308 HydrophobicContact CB-CG2 4.28Å; I290-V308 HydrophobicContact CD1-CG1 3.96Å; I290-V308 HydrophobicContact CG2-CG1 3.88Å; I290-V308 HydrophobicContact CG2-CG2 3.95Å; I290-E312 HydrophobicContact CD1-CG 4.21Å; I290-E312 WeakPolarHBondContact CD1-O 3.36Å; I290-E312 HydrophobicContact CG1-CG 4.49Å; I290-E312 HydrophobicContact CG2-CG 3.57Å; I290-E312 VanDerWaalsContact CG2-OE1 3.31Å; I290-E312 WeakPolarHBondContact CG2-OE1 3.25Å; I290-L313 HydrophobicContact CD1-CB 4.5Å; I290-L313 HydrophobicContact CD1-CD1 4.41Å
291A87.5Confident84.7Confident1 Ų136.7 Ų36.71%0.00823%0.231CC..Hα-helixtrans-59.4-40.3-179.800000111.5L287 L288 N295 R296 V308L287-A291 PolarHBondContact O-N 3.38Å; L288-A291 PolarHBondContact O-N 3.3Å; A291-N295 PolarHBondContact O-N 2.92Å; A291-R296 PolarHBondContact O-N 3.4Å; A291-V308 HydrophobicContact CB-CG2 4.09Å
292T85.7Confident84.4Confident43 Ų4337.8 Ų37.826%0.26424%0.238SC..Hα-helixtrans-69.4-46.4176.350.60000113.1D265 L288 C289 I290 A294 N295 T298D265-T292 WeakPolarHBondContact OD2-CG2 3.41Å; L288-T292 WeakPolarHBondContact O-CB 3.42Å; L288-T292 VanDerWaalsContact O-CG2 3.31Å; L288-T292 WeakPolarHBondContact O-CG2 3.48Å; L288-T292 PolarHBondContact O-N 2.86Å; L288-T292 PolarHBondContact O-OG1 2.99Å; C289-T292 VanDerWaalsContact CA-OG1 3.28Å; C289-T292 WeakPolarHBondContact CA-OG1 3.47Å; C289-T292 PolarHBondContact O-OG1 2.92Å; I290-T292 VanDerWaalsContact C-N 3.26Å; I290-T292 PolarHBondContact O-N 3.38Å; T292-A294 PolarHBondContact O-N 3.03Å; T292-N295 PolarHBondContact O-N 3.37Å; T292-T298 HydrophobicContact CG2-CG2 4.19Å
293A81.7Confident84.2Confident78 Ų7837.7 Ų37.765%0.64524%0.242SC*.Hα-helixtrans-61.1-30.9176.600000112.8C289 I290C289-A293 VanDerWaalsContact O-CB 3.23Å; C289-A293 WeakPolarHBondContact O-CB 3.49Å; C289-A293 PolarHBondContact O-N 2.8Å; I290-A293 PolarHBondContact O-N 2.94Å
294A82.1Confident83.9Confident39 Ų3941.6 Ų41.632%0.32226%0.26SS..THydrogen-bonded Turntrans-89.44.5177.100000114I290 T292 R296I290-A294 WeakPolarHBondContact O-CB 3.29Å; I290-A294 PolarHBondContact O-N 3.33Å; T292-A294 PolarHBondContact O-N 3.03Å; A294-R296 HydrophobicContact CB-CG 3.73Å; A294-R296 WeakPolarHBondContact O-CG 3.48Å; A294-R296 PolarHBondContact O-N 2.83Å; A294-R296 VanDerWaalsContact O-N 3.14Å
295N76.2Confident83.7Confident89 Ų8941.8 Ų41.848%0.47626%0.262SS..THydrogen-bonded Turntrans51.731.2-175.2-73.6-45.7000114A291 T292A291-N295 PolarHBondContact O-N 2.92Å; T292-N295 PolarHBondContact O-N 3.37Å
296R76.6Confident83.4Confident87 Ų8741 Ų4133%0.32826%0.257SS..SBendtrans-93.6105.6-179.3-56.1178.9-162.9146.914.6109.4A291 A294 T298 G306 A307 E312A291-R296 PolarHBondContact O-N 3.4Å; A294-R296 HydrophobicContact CB-CG 3.73Å; A294-R296 WeakPolarHBondContact O-CG 3.48Å; A294-R296 PolarHBondContact O-N 2.83Å; A294-R296 VanDerWaalsContact O-N 3.14Å; R296-T298 PolarHBondContact O-N 3.11Å; R296-G306 VanDerWaalsContact O-CA 3.22Å; R296-G306 WeakPolarHBondContact O-CA 3.14Å; R296-G306 PolarHBondContact O-N 3.17Å; R296-A307 PolarHBondContact NH1-O 2.95Å; R296-E312 IonicContact CZ-OE1 3.3Å; R296-E312 IonicContact CZ-OE2 3.47Å; R296-E312 IonicContact NH1-OE1 2.89Å; R296-E312 PolarHBondContact NH1-OE1 2.78Å; R296-E312 IonicContact NH1-OE2 3.24Å; R296-E312 PolarHBondContact NH1-OE2 3.33Å; R296-E312 IonicContact NH2-OE1 2.59Å; R296-E312 PolarHBondContact NH2-OE1 3.42Å; R296-E312 IonicContact NH2-OE2 3.38Å
297G66.9Low83.2Confident31 Ų3139.1 Ų39.132%0.3225%0.253SS..SBendtrans63.342.6174.700000113.8
298T68.5Low83.1Confident38 Ų3839.1 Ų39.123%0.23325%0.253CS..  trans-91.1-9.2-171.857.20000114.3T261 T292 R296T261-T298 WeakPolarHBondContact CG2-O 3.36Å; T292-T298 HydrophobicContact CG2-CG2 4.19Å; R296-T298 PolarHBondContact O-N 3.11Å
299G79Confident83.1Confident37 Ų3740.6 Ų40.638%0.38126%0.264SS..  trans-58.1146.1-17900000112.4R264 T301 S302R264-G299 PolarHBondContact NH1-O 3.26Å; G299-T301 PolarHBondContact O-N 2.93Å; G299-S302 WeakPolarHBondContact O-CB 3.27Å; G299-S302 PolarHBondContact O-N 3.35Å
300I80.2Confident83Confident10 Ų1042.2 Ų42.25%0.05126%0.264CS..THydrogen-bonded Turntrans-62.3-32.5178.5-169.456.5000112E260 T261 R264 F557 L561 R564E260-I300 HydrophobicContact CB-CD1 3.96Å; E260-I300 HydrophobicContact CB-CG1 4.31Å; T261-I300 HydrophobicContact CG2-CB 3.81Å; T261-I300 HydrophobicContact CG2-CD1 4.01Å; T261-I300 HydrophobicContact CG2-CG1 4.48Å; R264-I300 HydrophobicContact CB-CD1 4.42Å; I300-F557 HydrophobicContact CD1-CZ 4.22Å; I300-L561 HydrophobicContact CD1-CD1 3.66Å; I300-L561 HydrophobicContact CG1-CD1 3.85Å; I300-R564 VanDerWaalsContact CG1-NH1 3.34Å
301T82.4Confident82.9Confident88 Ų8845 Ų4554%0.5429%0.285SS..THydrogen-bonded Turntrans-92.56.8175.453.20000113.6G299 R564G299-T301 PolarHBondContact O-N 2.93Å; T301-R564 HydrophobicContact CG2-CB 4.48Å
302S85.7Confident82.8Confident24 Ų2446.4 Ų46.417%0.16829%0.291CS..  trans-62.3131.4177.3-166.60000109.5G299 E304 Y354G299-S302 WeakPolarHBondContact O-CB 3.27Å; G299-S302 PolarHBondContact O-N 3.35Å; S302-E304 VanDerWaalsContact C-N 3.25Å; S302-E304 PolarHBondContact O-N 3.42Å; S302-E304 PolarHBondContact OG-O 3.44Å; S302-Y354 WeakPolarHBondContact O-CD2 3.39Å
303P86.4Confident82.9Confident77 Ų7744.3 Ų44.350%0.528%0.279SS..SBendtrans-69.5-26.9179.727-33.7000112.5Y354 K355P303-Y354 PolarHBondContact O-N 3.49Å; P303-K355 PolarHBondContact O-N 3.34Å
304E87.4Confident83.2Confident81 Ų8143.3 Ų43.338%0.37926%0.262SS..SBendtrans-146.7160.5-17863.1-174.3-179.800111.6S302 T351 C352 Y354S302-E304 VanDerWaalsContact C-N 3.25Å; S302-E304 PolarHBondContact O-N 3.42Å; S302-E304 PolarHBondContact OG-O 3.44Å; E304-T351 HydrophobicContact CB-CG2 3.77Å; E304-T351 HydrophobicContact CG-CG2 4.1Å; E304-C352 CarbonylContact C-O 3.58Å; E304-C352 WeakPolarHBondContact CA-O 3.37Å; E304-Y354 VanDerWaalsContact C-CE2 3.44Å; E304-Y354 WeakPolarHBondContact O-CE2 3.37Å
305S87.4Confident83.4Confident4 Ų450.8 Ų50.83%0.02828%0.282CS..PPolyproline II helixtrans-72.8164.8172.779.10000111.1T351 C352 Y354S305-T351 VanDerWaalsContact O-CG2 3.22Å; S305-T351 WeakPolarHBondContact O-CG2 3.47Å; S305-C352 PolarHBondContact N-O 3.26Å; S305-C352 PolarHBondContact OG-N 2.95Å; S305-Y354 VanDerWaalsContact CA-CE2 3.5Å; S305-Y354 VanDerWaalsContact CB-OH 3.26Å; S305-Y354 WeakPolarHBondContact CB-OH 3.45Å; S305-Y354 VanDerWaalsContact N-CE2 3.35Å
306G85.8Confident83.8Confident9 Ų948.5 Ų48.59%0.09327%0.273CS..PPolyproline II helixtrans-58.9147.6162.300000112.4R296R296-G306 VanDerWaalsContact O-CA 3.22Å; R296-G306 WeakPolarHBondContact O-CA 3.14Å; R296-G306 PolarHBondContact O-N 3.17Å
307A88Confident84.1Confident24 Ų2445.3 Ų45.320%0.19826%0.262CS..PPolyproline II helixtrans-71.5129.6174.900000110.6R296 M349 T351R296-A307 PolarHBondContact NH1-O 2.95Å; A307-M349 HydrophobicContact CB-CB 4.13Å; A307-M349 HydrophobicContact CB-CE 3.46Å; A307-M349 VanDerWaalsContact CB-CE 3.46Å; A307-M349 HydrophobicContact CB-SD 4.21Å; A307-T351 WeakPolarHBondContact CA-OG1 3.39Å
308V89.9Confident84.7Confident0 Ų055.9 Ų55.90%029%0.292CS..EExtended strand (participates in β ladder)trans-117.7128.5-179.7177.30000109.7L287 I290 A291 E312 L313 M349 Y350L287-V308 HydrophobicContact CD1-CB 4.47Å; L287-V308 HydrophobicContact CD2-CG2 4.35Å; L287-V308 HydrophobicContact CG-CB 4.05Å; L287-V308 HydrophobicContact CG-CG1 4.39Å; L287-V308 HydrophobicContact CG-CG2 4.13Å; I290-V308 HydrophobicContact CB-CG1 4.28Å; I290-V308 HydrophobicContact CB-CG2 4.28Å; I290-V308 HydrophobicContact CD1-CG1 3.96Å; I290-V308 HydrophobicContact CG2-CG1 3.88Å; I290-V308 HydrophobicContact CG2-CG2 3.95Å; A291-V308 HydrophobicContact CB-CG2 4.09Å; V308-E312 HydrophobicContact CG1-CB 4.28Å; V308-L313 HydrophobicContact CG1-CB 4.5Å; V308-M349 WeakPolarHBondContact O-CA 3.43Å; V308-Y350 PolarHBondContact N-O 2.72Å; V308-Y350 PolarHBondContact O-N 2.85Å
309S89.8Confident85.3Confident34 Ų3459.5 Ų59.524%0.23832%0.315CS..EExtended strand (participates in β ladder)trans-76.1151.8177.572.30000111.6S311 E312 L313S309-S311 VanDerWaalsContact C-N 3.25Å; S309-S311 PolarHBondContact O-N 3.3Å; S309-E312 PolarHBondContact O-N 3.49Å; S309-E312 VanDerWaalsContact O-N 3.17Å; S309-E312 WeakPolarHBondContact OG-CB 3.4Å; S309-E312 PolarHBondContact OG-N 3Å; S309-L313 PolarHBondContact O-N 3.38Å; S309-L313 VanDerWaalsContact O-N 3.1Å
310R86.1Confident85.2Confident74 Ų7461.2 Ų61.228%0.27932%0.318SS..Hα-helixtrans-54.8-40.4174.2-171.3178.7173.6107.1-2112.9E312 L313 L314 S325 Y350R310-E312 VanDerWaalsContact C-N 3.34Å; R310-E312 PolarHBondContact O-N 3.17Å; R310-L313 PolarHBondContact O-N 3.35Å; R310-L314 HydrophobicContact CG-CD1 4.17Å; R310-L314 WeakPolarHBondContact O-CG 3.19Å; R310-L314 PolarHBondContact O-N 3.04Å; R310-S325 PolarHBondContact NH1-OG 3.4Å; R310-S325 PolarHBondContact NH2-OG 3.35Å; R310-Y350 HydrophobicContact CB-CE2 3.98Å; R310-Y350 HydrophobicContact CG-CE2 4.39Å
311S86.6Confident85.2Confident77 Ų7762.1 Ų62.154%0.53832%0.324SS..Hα-helixtrans-65.4-37.6-179.7-47.80000112.3S309 R315S309-S311 VanDerWaalsContact C-N 3.25Å; S309-S311 PolarHBondContact O-N 3.3Å; S311-R315 WeakPolarHBondContact O-CB 3.33Å; S311-R315 PolarHBondContact O-N 3.22Å; S311-R315 VanDerWaalsContact O-N 3.14Å
312E87.2Confident85.2Confident30 Ų3064.2 Ų64.214%0.1433%0.332CS..Hα-helixtrans-68.5-41.5177.2-164.5173.3-160.100111.3I290 R296 V308 S309 R310 R315 S316I290-E312 HydrophobicContact CD1-CG 4.21Å; I290-E312 WeakPolarHBondContact CD1-O 3.36Å; I290-E312 HydrophobicContact CG1-CG 4.49Å; I290-E312 HydrophobicContact CG2-CG 3.57Å; I290-E312 VanDerWaalsContact CG2-OE1 3.31Å; I290-E312 WeakPolarHBondContact CG2-OE1 3.25Å; R296-E312 IonicContact CZ-OE1 3.3Å; R296-E312 IonicContact CZ-OE2 3.47Å; R296-E312 IonicContact NH1-OE1 2.89Å; R296-E312 PolarHBondContact NH1-OE1 2.78Å; R296-E312 IonicContact NH1-OE2 3.24Å; R296-E312 PolarHBondContact NH1-OE2 3.33Å; R296-E312 IonicContact NH2-OE1 2.59Å; R296-E312 PolarHBondContact NH2-OE1 3.42Å; R296-E312 IonicContact NH2-OE2 3.38Å; V308-E312 HydrophobicContact CG1-CB 4.28Å; S309-E312 PolarHBondContact O-N 3.49Å; S309-E312 VanDerWaalsContact O-N 3.17Å; S309-E312 WeakPolarHBondContact OG-CB 3.4Å; S309-E312 PolarHBondContact OG-N 3Å; R310-E312 VanDerWaalsContact C-N 3.34Å; R310-E312 PolarHBondContact O-N 3.17Å; E312-R315 PolarHBondContact O-N 2.96Å; E312-S316 PolarHBondContact O-N 3.48Å
313L86.9Confident85.1Confident0 Ų070.3 Ų70.30%036%0.358CS..Hα-helixtrans-59.3-52.4174.6-179.362.9000111.6I283 H286 L287 I290 V308 S309 R310 R315 S316 I328I283-L313 HydrophobicContact CG2-CD2 4.09Å; H286-L313 HydrophobicContact CB-CD1 3.94Å; L287-L313 HydrophobicContact CB-CD1 4.12Å; I290-L313 HydrophobicContact CD1-CB 4.5Å; I290-L313 HydrophobicContact CD1-CD1 4.41Å; V308-L313 HydrophobicContact CG1-CB 4.5Å; S309-L313 PolarHBondContact O-N 3.38Å; S309-L313 VanDerWaalsContact O-N 3.1Å; R310-L313 PolarHBondContact O-N 3.35Å; L313-R315 VanDerWaalsContact C-N 3.26Å; L313-R315 PolarHBondContact O-N 3.49Å; L313-S316 PolarHBondContact O-N 2.93Å; L313-S316 VanDerWaalsContact O-N 3.07Å; L313-S316 PolarHBondContact O-OG 3.33Å; L313-I328 HydrophobicContact CD2-CD1 4.08Å
314L87.5Confident85.1Confident56 Ų5667.2 Ų67.229%0.29334%0.337SS..Hα-helixtrans-59-37.5179.7-72.4171.9000112.5R310 S316 M317 V320 I324R310-L314 HydrophobicContact CG-CD1 4.17Å; R310-L314 WeakPolarHBondContact O-CG 3.19Å; R310-L314 PolarHBondContact O-N 3.04Å; L314-S316 VanDerWaalsContact C-N 3.31Å; L314-S316 PolarHBondContact O-N 3.27Å; L314-M317 PolarHBondContact O-N 3.41Å; L314-V320 HydrophobicContact CD2-CG1 3.72Å; L314-V320 HydrophobicContact CD2-CG2 4.13Å; L314-I324 HydrophobicContact CD2-CD1 3.5Å; L314-I324 VanDerWaalsContact CD2-CD1 3.5Å; L314-I324 HydrophobicContact CD2-CG2 4.26Å; L314-I324 HydrophobicContact CG-CD1 4.48Å
315R86.3Confident85.1Confident197 Ų19766.1 Ų66.174%0.74334%0.338SS*.Hα-helixtrans-69-27.7178.1-177.717558.3164.3-1.6113.3S311 E312 L313 M317S311-R315 WeakPolarHBondContact O-CB 3.33Å; S311-R315 PolarHBondContact O-N 3.22Å; S311-R315 VanDerWaalsContact O-N 3.14Å; E312-R315 PolarHBondContact O-N 2.96Å; L313-R315 VanDerWaalsContact C-N 3.26Å; L313-R315 PolarHBondContact O-N 3.49Å; R315-M317 VanDerWaalsContact C-N 3.35Å
316S85.2Confident85.2Confident41 Ų4169.1 Ų69.129%0.28736%0.359SS..Hα-helixtrans-77.7-22-179.674.80000113.7E312 L313 L314E312-S316 PolarHBondContact O-N 3.48Å; L313-S316 PolarHBondContact O-N 2.93Å; L313-S316 VanDerWaalsContact O-N 3.07Å; L313-S316 PolarHBondContact O-OG 3.33Å; L314-S316 VanDerWaalsContact C-N 3.31Å; L314-S316 PolarHBondContact O-N 3.27Å
317M82.6Confident85.5Confident20 Ų2071.8 Ų71.810%0.09937%0.367CS..  trans-88.5130.8-177.3-61-175.378.200110I283 H286 L314 R315 P321 I324I283-M317 HydrophobicContact CG1-CE 4.06Å; I283-M317 HydrophobicContact CG1-SD 4.4Å; H286-M317 HydrophobicContact CB-CG 4.38Å; L314-M317 PolarHBondContact O-N 3.41Å; R315-M317 VanDerWaalsContact C-N 3.35Å; M317-P321 HydrophobicContact CE-CG 3.9Å; M317-I324 HydrophobicContact SD-CD1 4.2Å
318R79.2Confident85.6Confident252 Ų25270.8 Ų70.895%0.95136%0.358SS*.SBendtrans-72.9-37.6174.3-65.6-177.6-179.2176.70.3111.8
319T80.7Confident85.7Confident114 Ų11473.5 Ų73.570%0.69938%0.377SS*.SBendtrans-123.8111.4178.8500000107.8P321T319-P321 WeakPolarHBondContact O-CD 3.48Å
320V78.3Confident85.8Confident74 Ų7475.7 Ų75.745%0.44839%0.386SS..PPolyproline II helixtrans-78.9122.3176.2-178.80000108L314 I324L314-V320 HydrophobicContact CD2-CG1 3.72Å; L314-V320 HydrophobicContact CD2-CG2 4.13Å; V320-I324 HydrophobicContact CG1-CB 4.36Å; V320-I324 HydrophobicContact CG1-CD1 4.34Å; V320-I324 HydrophobicContact CG1-CG2 4.34Å
321P79.3Confident86.1Confident29 Ų2972.2 Ų72.219%0.18837%0.372CS..PPolyproline II helixtrans-62.4144176.4-21.732.8000111.6I279 M317 T319 H323 I324 Y327I279-P321 HydrophobicContact CG2-CB 3.97Å; I279-P321 HydrophobicContact CG2-CG 3.76Å; M317-P321 HydrophobicContact CE-CG 3.9Å; T319-P321 WeakPolarHBondContact O-CD 3.48Å; P321-H323 PolarHBondContact O-N 2.99Å; P321-I324 PolarHBondContact O-N 2.88Å; P321-Y327 HydrophobicContact CB-CD2 4.44Å; P321-Y327 HydrophobicContact CB-CE2 4.28Å
322D81.9Confident86.4Confident132 Ų13270 Ų7071%0.70636%0.355SS*.THydrogen-bonded Turntrans-56.5131.9168.7-62.8-35.7000108.9Y327D322-Y327 WeakPolarHBondContact O-CE2 3.46Å
323H84.4Confident86.5Confident152 Ų15274.8 Ų74.870%0.70438%0.381SS*.THydrogen-bonded Turntrans64.637.2-179.8-4287.4000115.5P321 S325 S326 Y327P321-H323 PolarHBondContact O-N 2.99Å; H323-S325 PolarHBondContact O-N 3.19Å; H323-S326 WeakPolarHBondContact O-CB 3.32Å; H323-S326 PolarHBondContact O-N 3.05Å; H323-Y327 PolarHBondContact O-N 2.93Å
324I85.9Confident86.6Confident11 Ų1176 Ų766%0.05639%0.387CS..Hα-helixtrans-46.3-34.9173.8-166.9177.3000114.2I283 L314 M317 V320 P321 S326 Y327 I328I283-I324 HydrophobicContact CD1-CG1 4.25Å; L314-I324 HydrophobicContact CD2-CD1 3.5Å; L314-I324 VanDerWaalsContact CD2-CD1 3.5Å; L314-I324 HydrophobicContact CD2-CG2 4.26Å; L314-I324 HydrophobicContact CG-CD1 4.48Å; M317-I324 HydrophobicContact SD-CD1 4.2Å; V320-I324 HydrophobicContact CG1-CB 4.36Å; V320-I324 HydrophobicContact CG1-CD1 4.34Å; V320-I324 HydrophobicContact CG1-CG2 4.34Å; P321-I324 PolarHBondContact O-N 2.88Å; I324-S326 VanDerWaalsContact C-N 3.3Å; I324-S326 PolarHBondContact O-N 3.22Å; I324-Y327 PolarHBondContact O-N 2.73Å; I324-I328 HydrophobicContact CD1-CD1 4.27Å; I324-I328 HydrophobicContact CG1-CD1 3.91Å; I324-I328 HydrophobicContact CG1-CG1 4.3Å; I324-I328 WeakPolarHBondContact O-CG1 3.31Å; I324-I328 PolarHBondContact O-N 2.98Å
325S87.1Confident86.6Confident59 Ų5980.5 Ų80.541%0.41341%0.407SS..Hα-helixtrans-59-40.2175.8-59.30000112.8R310 H323 I328 S329R310-S325 PolarHBondContact NH1-OG 3.4Å; R310-S325 PolarHBondContact NH2-OG 3.35Å; H323-S325 PolarHBondContact O-N 3.19Å; S325-I328 PolarHBondContact O-N 2.84Å; S325-S329 PolarHBondContact O-N 3.21Å; S325-S329 PolarHBondContact O-OG 3.32Å
326S90.2Very high86.6Confident66 Ų6671.6 Ų71.646%0.46237%0.374SS..Hα-helixtrans-68.3-43.1179.4178.90000111.1H323 I324 I328 S329 L330H323-S326 WeakPolarHBondContact O-CB 3.32Å; H323-S326 PolarHBondContact O-N 3.05Å; I324-S326 VanDerWaalsContact C-N 3.3Å; I324-S326 PolarHBondContact O-N 3.22Å; S326-I328 VanDerWaalsContact C-N 3.34Å; S326-I328 PolarHBondContact O-N 2.81Å; S326-S329 WeakPolarHBondContact O-CB 3.41Å; S326-S329 PolarHBondContact O-N 2.96Å; S326-L330 WeakPolarHBondContact O-CG 3.26Å; S326-L330 PolarHBondContact O-N 2.87Å
327Y91.5Very high86.8Confident66 Ų6674.7 Ų74.726%0.25938%0.383SS..Hα-helixtrans-63.7-38.7175.5-67.1-65000112.8I279 I283 P321 D322 H323 I324 L330 L331I279-Y327 HydrophobicContact CB-CE1 4.41Å; I279-Y327 HydrophobicContact CD1-CE1 4.38Å; I279-Y327 HydrophobicContact CD1-CE2 4.42Å; I279-Y327 WeakPolarHBondContact CD1-OH 3.29Å; I279-Y327 HydrophobicContact CG2-CD1 4.4Å; I279-Y327 HydrophobicContact CG2-CD2 4.08Å; I279-Y327 HydrophobicContact CG2-CE1 4.35Å; I279-Y327 HydrophobicContact CG2-CE2 4.03Å; I279-Y327 HydrophobicContact CG2-CG 4.26Å; I283-Y327 HydrophobicContact CD1-CD2 4.47Å; I283-Y327 HydrophobicContact CD1-CG 4.23Å; P321-Y327 HydrophobicContact CB-CD2 4.44Å; P321-Y327 HydrophobicContact CB-CE2 4.28Å; D322-Y327 WeakPolarHBondContact O-CE2 3.46Å; H323-Y327 PolarHBondContact O-N 2.93Å; I324-Y327 PolarHBondContact O-N 2.73Å; Y327-L330 HydrophobicContact CD1-CD1 4.26Å; Y327-L330 PolarHBondContact O-N 3.13Å; Y327-L331 WeakPolarHBondContact O-CG 3.32Å; Y327-L331 PolarHBondContact O-N 2.9Å
328I91Very high87.2Confident3 Ų373.8 Ų73.82%0.01538%0.378CS..Hα-helixtrans-64.1-42.6173.5-69.7169.7000110.6I283 L313 I324 S325 S326 L330 L331 I332 Y350I283-I328 HydrophobicContact CG2-CG1 4.48Å; L313-I328 HydrophobicContact CD2-CD1 4.08Å; I324-I328 HydrophobicContact CD1-CD1 4.27Å; I324-I328 HydrophobicContact CG1-CD1 3.91Å; I324-I328 HydrophobicContact CG1-CG1 4.3Å; I324-I328 WeakPolarHBondContact O-CG1 3.31Å; I324-I328 PolarHBondContact O-N 2.98Å; S325-I328 PolarHBondContact O-N 2.84Å; S326-I328 VanDerWaalsContact C-N 3.34Å; S326-I328 PolarHBondContact O-N 2.81Å; I328-L330 VanDerWaalsContact C-N 3.34Å; I328-L330 PolarHBondContact O-N 3.19Å; I328-L331 PolarHBondContact O-N 3.36Å; I328-I332 HydrophobicContact CG2-CD1 3.74Å; I328-I332 WeakPolarHBondContact O-CD1 3.49Å; I328-I332 VanDerWaalsContact O-CG1 3.29Å; I328-I332 WeakPolarHBondContact O-CG1 3.37Å; I328-I332 PolarHBondContact O-N 3.25Å; I328-I332 VanDerWaalsContact O-N 3.13Å; I328-Y350 HydrophobicContact CD1-CE2 4.28Å; I328-Y350 HydrophobicContact CG2-CD1 4.06Å; I328-Y350 HydrophobicContact CG2-CE1 3.42Å; I328-Y350 VanDerWaalsContact CG2-CE1 3.42Å; I328-Y350 HydrophobicContact CG2-CE2 4.32Å
329S91Very high87.9Confident57 Ų5761.8 Ų61.840%0.39933%0.333SS..Hα-helixtrans-59.3-43.3173.8-67.30000111.8S325 S326 L331 I332 D333S325-S329 PolarHBondContact O-N 3.21Å; S325-S329 PolarHBondContact O-OG 3.32Å; S326-S329 WeakPolarHBondContact O-CB 3.41Å; S326-S329 PolarHBondContact O-N 2.96Å; S329-L331 VanDerWaalsContact C-N 3.3Å; S329-L331 PolarHBondContact O-N 2.82Å; S329-I332 PolarHBondContact O-N 3.41Å; S329-D333 WeakPolarHBondContact O-CB 3.11Å; S329-D333 PolarHBondContact O-N 3.03Å
330L92.6Very high88.4Confident80 Ų8059.4 Ų59.442%0.41932%0.315SS..Hα-helixtrans-59.1-39.1175-70.1173.9000112.8S326 Y327 I328 I332 D334S326-L330 WeakPolarHBondContact O-CG 3.26Å; S326-L330 PolarHBondContact O-N 2.87Å; Y327-L330 HydrophobicContact CD1-CD1 4.26Å; Y327-L330 PolarHBondContact O-N 3.13Å; I328-L330 VanDerWaalsContact C-N 3.34Å; I328-L330 PolarHBondContact O-N 3.19Å; L330-I332 VanDerWaalsContact C-N 3.28Å; L330-I332 PolarHBondContact O-N 3Å; L330-D334 WeakPolarHBondContact O-CB 3.25Å; L330-D334 PolarHBondContact O-N 3.44Å
331L92.4Very high89Confident0 Ų060 Ų600%031%0.313CS..Hα-helixtrans-69-25.3176.7-75.1165.9000113.3A272 L276 C280 I283 Y327 I328 S329 F338 L339A272-L331 HydrophobicContact CB-CD2 4.35Å; L276-L331 HydrophobicContact CD1-CD2 3.81Å; L276-L331 HydrophobicContact CD1-CG 4.35Å; C280-L331 HydrophobicContact CB-CD2 4.15Å; C280-L331 HydrophobicContact CB-CG 4.34Å; I283-L331 HydrophobicContact CB-CD1 4.38Å; I283-L331 HydrophobicContact CG2-CD1 4.03Å; Y327-L331 WeakPolarHBondContact O-CG 3.32Å; Y327-L331 PolarHBondContact O-N 2.9Å; I328-L331 PolarHBondContact O-N 3.36Å; S329-L331 VanDerWaalsContact C-N 3.3Å; S329-L331 PolarHBondContact O-N 2.82Å; L331-F338 HydrophobicContact CB-CB 4.44Å; L331-F338 HydrophobicContact CD2-CB 3.8Å; L331-F338 HydrophobicContact CD2-CD2 4.05Å; L331-F338 HydrophobicContact CD2-CG 4.07Å; L331-F338 PolarHBondContact O-N 2.94Å; L331-F338 VanDerWaalsContact O-N 3.11Å; L331-L339 HydrophobicContact CB-CB 4.42Å; L331-L339 HydrophobicContact CB-CD1 3.83Å; L331-L339 HydrophobicContact CB-CG 4.07Å; L331-L339 HydrophobicContact CD1-CD1 3.88Å; L331-L339 HydrophobicContact CG-CD1 4.46Å; L331-L339 PolarHBondContact O-N 2.87Å; L331-L339 VanDerWaalsContact O-N 3.12Å
332I92.4Very high89.4Confident32 Ų3261.9 Ų61.916%0.16432%0.32CS..Hα-helixtrans-85.9-46.4179.1-65.8162.7000111.1I328 S329 L330 L339 Q341 Y350I328-I332 HydrophobicContact CG2-CD1 3.74Å; I328-I332 WeakPolarHBondContact O-CD1 3.49Å; I328-I332 VanDerWaalsContact O-CG1 3.29Å; I328-I332 WeakPolarHBondContact O-CG1 3.37Å; I328-I332 PolarHBondContact O-N 3.25Å; I328-I332 VanDerWaalsContact O-N 3.13Å; S329-I332 PolarHBondContact O-N 3.41Å; L330-I332 VanDerWaalsContact C-N 3.28Å; L330-I332 PolarHBondContact O-N 3Å; I332-L339 WeakPolarHBondContact CA-O 3.44Å; I332-L339 HydrophobicContact CG1-CB 3.96Å; I332-Q341 HydrophobicContact CD1-CB 4.22Å; I332-Y350 HydrophobicContact CD1-CD1 4.21Å; I332-Y350 HydrophobicContact CD1-CE1 3.88Å
333D89.9Confident89.6Confident130 Ų13061.5 Ų61.570%0.69533%0.325SS*.Hα-helixtrans-80.9-14.7-171.3-65.2-29.5000113.3S329S329-D333 WeakPolarHBondContact O-CB 3.11Å; S329-D333 PolarHBondContact O-N 3.03Å
334D90.1Very high89.3Confident24 Ų2455.6 Ų55.613%0.12831%0.305CS..SBendtrans-61.5150.3177.8-175.669.9000112.7K275 L276 L330 V336 K337 F338K275-D334 WeakPolarHBondContact CE-OD1 3.19Å; K275-D334 IonicContact NZ-OD1 2.98Å; K275-D334 PolarHBondContact NZ-OD1 3.47Å; K275-D334 IonicContact NZ-OD2 2.73Å; K275-D334 PolarHBondContact NZ-OD2 3.2Å; L276-D334 HydrophobicContact CD1-CB 4.28Å; L276-D334 HydrophobicContact CD2-CB 4.4Å; L330-D334 WeakPolarHBondContact O-CB 3.25Å; L330-D334 PolarHBondContact O-N 3.44Å; D334-V336 PolarHBondContact O-N 3.31Å; D334-V336 VanDerWaalsContact O-N 3.09Å; D334-V336 WeakPolarHBondContact OD2-CB 3.34Å; D334-V336 VanDerWaalsContact OD2-CG2 3.31Å; D334-V336 WeakPolarHBondContact OD2-CG2 3.49Å; D334-V336 PolarHBondContact OD2-N 3.48Å; D334-K337 WeakPolarHBondContact O-CA 3.35Å; D334-K337 WeakPolarHBondContact O-CG 3.31Å; D334-K337 PolarHBondContact O-N 3.08Å; D334-F338 HydrophobicContact CB-CD2 4.43Å
335E85.8Confident88.7Confident152 Ų15264 Ų6471%0.7135%0.349SS*.THydrogen-bonded Turntrans-55.7-29.5177.6-60.2175.6156.600113.6K275 K337 Y356K275-E335 IonicContact NZ-OE2 3.11Å; E335-K337 VanDerWaalsContact C-N 3.31Å; E335-Y356 VanDerWaalsContact O-CE1 3.31Å; E335-Y356 WeakPolarHBondContact O-CE1 3.43Å; E335-Y356 PolarHBondContact O-OH 2.84Å
336V86.7Confident87.8Confident10 Ų1065.7 Ų65.76%0.06137%0.366CS..THydrogen-bonded Turntrans-79-15.4177.9-178.90000111.7L271 K275 D334 F338 Y356 V357 Q360L271-V336 HydrophobicContact CD2-CG1 4.33Å; K275-V336 HydrophobicContact CD-CG2 4.11Å; D334-V336 PolarHBondContact O-N 3.31Å; D334-V336 VanDerWaalsContact O-N 3.09Å; D334-V336 WeakPolarHBondContact OD2-CB 3.34Å; D334-V336 VanDerWaalsContact OD2-CG2 3.31Å; D334-V336 WeakPolarHBondContact OD2-CG2 3.49Å; D334-V336 PolarHBondContact OD2-N 3.48Å; V336-F338 VanDerWaalsContact C-N 3.34Å; V336-F338 HydrophobicContact CB-CD2 4.13Å; V336-F338 HydrophobicContact CB-CE1 4.39Å; V336-F338 HydrophobicContact CB-CE2 3.79Å; V336-F338 HydrophobicContact CB-CZ 3.94Å; V336-F338 HydrophobicContact CG1-CD1 3.97Å; V336-F338 HydrophobicContact CG1-CD2 4.28Å; V336-F338 HydrophobicContact CG1-CE1 3.69Å; V336-F338 HydrophobicContact CG1-CE2 4.02Å; V336-F338 HydrophobicContact CG1-CG 4.27Å; V336-F338 HydrophobicContact CG1-CZ 3.71Å; V336-F338 HydrophobicContact CG2-CE2 4.32Å; V336-F338 HydrophobicContact CG2-CZ 4.28Å; V336-F338 PolarHBondContact O-N 3.5Å; V336-Y356 VanDerWaalsContact C-CE1 3.46Å; V336-Y356 WeakPolarHBondContact O-CD1 3.37Å; V336-Y356 WeakPolarHBondContact O-CE1 3.35Å; V336-V357 HydrophobicContact CG1-CG1 4.22Å; V336-V357 HydrophobicContact CG1-CG2 4.36Å; V336-Q360 HydrophobicContact CB-CG 4.48Å; V336-Q360 HydrophobicContact CG1-CB 3.99Å; V336-Q360 HydrophobicContact CG1-CG 4.23Å; V336-Q360 HydrophobicContact CG2-CB 4.13Å; V336-Q360 HydrophobicContact CG2-CG 4.29Å
337K88.8Confident87.3Confident106 Ų10664.6 Ų64.646%0.46137%0.365SS..  trans46.357.6-179.8-59.8-176.3177.8-176.10111.2D334 E335 L339 L340 P353 Y356D334-K337 WeakPolarHBondContact O-CA 3.35Å; D334-K337 WeakPolarHBondContact O-CG 3.31Å; D334-K337 PolarHBondContact O-N 3.08Å; E335-K337 VanDerWaalsContact C-N 3.31Å; K337-L339 PolarHBondContact O-N 3.22Å; K337-L339 VanDerWaalsContact O-N 3.17Å; K337-L340 HydrophobicContact CB-CD2 4.49Å; K337-P353 WeakPolarHBondContact O-CD 3.1Å; K337-P353 VanDerWaalsContact O-CG 3.29Å; K337-P353 WeakPolarHBondContact O-CG 3.47Å; K337-Y356 HydrophobicContact CB-CD1 4.1Å; K337-Y356 HydrophobicContact CB-CE1 3.97Å; K337-Y356 HydrophobicContact CD-CE1 4.31Å; K337-Y356 HydrophobicContact CG-CE1 4.12Å
338F92Very high87Confident0 Ų068 Ų680%038%0.379CS..  trans-55.7-34.2-177.8-71.3-78000111.5L271 A272 K275 L276 L284 L331 D334 V336 C352 V357L271-F338 HydrophobicContact CB-CE1 4.25Å; L271-F338 HydrophobicContact CD2-CE1 4.01Å; L271-F338 HydrophobicContact CD2-CZ 4.28Å; L271-F338 HydrophobicContact CG-CE1 3.94Å; L271-F338 HydrophobicContact CG-CZ 3.94Å; A272-F338 HydrophobicContact CB-CD1 4.06Å; A272-F338 HydrophobicContact CB-CE1 3.8Å; A272-F338 HydrophobicContact CB-CE2 4.36Å; A272-F338 HydrophobicContact CB-CG 4.44Å; A272-F338 HydrophobicContact CB-CZ 3.96Å; K275-F338 HydrophobicContact CD-CE2 4.42Å; L276-F338 HydrophobicContact CD1-CD2 3.82Å; L276-F338 HydrophobicContact CD1-CE2 3.83Å; L276-F338 HydrophobicContact CG-CE2 4.36Å; L284-F338 HydrophobicContact CD2-CB 4.28Å; L284-F338 HydrophobicContact CD2-CD1 3.89Å; L284-F338 HydrophobicContact CD2-CG 4.36Å; L331-F338 HydrophobicContact CB-CB 4.44Å; L331-F338 HydrophobicContact CD2-CB 3.8Å; L331-F338 HydrophobicContact CD2-CD2 4.05Å; L331-F338 HydrophobicContact CD2-CG 4.07Å; L331-F338 PolarHBondContact O-N 2.94Å; L331-F338 VanDerWaalsContact O-N 3.11Å; D334-F338 HydrophobicContact CB-CD2 4.43Å; V336-F338 VanDerWaalsContact C-N 3.34Å; V336-F338 HydrophobicContact CB-CD2 4.13Å; V336-F338 HydrophobicContact CB-CE1 4.39Å; V336-F338 HydrophobicContact CB-CE2 3.79Å; V336-F338 HydrophobicContact CB-CZ 3.94Å; V336-F338 HydrophobicContact CG1-CD1 3.97Å; V336-F338 HydrophobicContact CG1-CD2 4.28Å; V336-F338 HydrophobicContact CG1-CE1 3.69Å; V336-F338 HydrophobicContact CG1-CE2 4.02Å; V336-F338 HydrophobicContact CG1-CG 4.27Å; V336-F338 HydrophobicContact CG1-CZ 3.71Å; V336-F338 HydrophobicContact CG2-CE2 4.32Å; V336-F338 HydrophobicContact CG2-CZ 4.28Å; V336-F338 PolarHBondContact O-N 3.5Å; F338-C352 WeakPolarHBondContact O-CA 3.32Å; F338-C352 PolarHBondContact O-SG 3.23Å; F338-V357 HydrophobicContact CD1-CG1 4.24Å; F338-V357 HydrophobicContact CE1-CG1 4.38Å
339L93.7Very high87Confident1 Ų170.1 Ų70.11%0.00539%0.389CS..  trans-125.8143.2175.5-63.5178.5000111.6L284 L287 L331 I332 K337 T351 C352L284-L339 HydrophobicContact CD1-CD2 3.78Å; L284-L339 HydrophobicContact CD1-CG 4.35Å; L287-L339 HydrophobicContact CD1-CD1 4.09Å; L287-L339 HydrophobicContact CD1-CD2 3.61Å; L287-L339 HydrophobicContact CD2-CD2 4.11Å; L287-L339 HydrophobicContact CG-CD2 4.49Å; L331-L339 HydrophobicContact CB-CB 4.42Å; L331-L339 HydrophobicContact CB-CD1 3.83Å; L331-L339 HydrophobicContact CB-CG 4.07Å; L331-L339 HydrophobicContact CD1-CD1 3.88Å; L331-L339 HydrophobicContact CG-CD1 4.46Å; L331-L339 PolarHBondContact O-N 2.87Å; L331-L339 VanDerWaalsContact O-N 3.12Å; I332-L339 WeakPolarHBondContact CA-O 3.44Å; I332-L339 HydrophobicContact CG1-CB 3.96Å; K337-L339 PolarHBondContact O-N 3.22Å; K337-L339 VanDerWaalsContact O-N 3.17Å; L339-T351 CarbonylContact C-O 3.42Å; L339-T351 WeakPolarHBondContact CA-O 3.48Å; L339-C352 HydrophobicContact CD2-CB 4.37Å
340L91.8Very high87Confident63 Ų6367.8 Ų67.833%0.3337%0.371SS..EExtended strand (participates in β ladder)trans-108.8135.4165.7-63178000108.7K337 Y350 T351 P353K337-L340 HydrophobicContact CB-CD2 4.49Å; L340-Y350 WeakPolarHBondContact O-CA 3.31Å; L340-T351 PolarHBondContact N-O 3.16Å; L340-T351 PolarHBondContact O-N 3.34Å; L340-P353 HydrophobicContact CD1-CB 3.83Å; L340-P353 HydrophobicContact CD1-CG 3.91Å; L340-P353 HydrophobicContact CG-CB 4.35Å; L340-P353 HydrophobicContact CG-CG 3.88Å
341Q91Very high87Confident86 Ų8664 Ų6440%0.40235%0.352SS..EExtended strand (participates in β ladder)trans-91.3119.4175.8-167.8177.922.100109.2I332 Y348 Y350I332-Q341 HydrophobicContact CD1-CB 4.22Å; Q341-Y348 VanDerWaalsContact CD-CD1 3.49Å; Q341-Y348 HydrophobicContact CG-CD1 3.52Å; Q341-Y348 HydrophobicContact CG-CE1 4.26Å; Q341-Y348 HydrophobicContact CG-CG 3.81Å; Q341-Y348 VanDerWaalsContact NE2-CE1 3.3Å; Q341-Y350 HydrophobicContact CG-CE1 4.24Å
342Q87.6Confident87Confident69 Ų6964 Ų6432%0.32235%0.352SS..EExtended strand (participates in β ladder)trans-113.1145.4174.8-70.1177.4-21.500110M349 T351Q342-M349 PolarHBondContact N-O 3.19Å; Q342-M349 PolarHBondContact O-N 3.04Å; Q342-T351 PolarHBondContact OE1-OG1 3.25Å
343P84.8Confident87.1Confident125 Ų12563.1 Ų63.181%0.81235%0.348SS*.EExtended strand (participates in β ladder)trans-69.2131.9171.829.2-32.7000110.1
344G79.9Confident87.2Confident28 Ų2857 Ų5729%0.28932%0.315SS..EExtended strand (participates in β ladder)trans-137.9178.6178.100000113.5A346 G347G344-A346 VanDerWaalsContact C-N 3.25Å; G344-A346 PolarHBondContact O-N 3Å; G344-A346 VanDerWaalsContact O-N 3.12Å; G344-G347 CarbonylContact C-O 3.49Å; G344-G347 WeakPolarHBondContact CA-O 3.22Å; G344-G347 PolarHBondContact N-O 3.28Å; G344-G347 PolarHBondContact O-N 2.94Å; G344-G347 VanDerWaalsContact O-O 3.08Å
345L72.5Confident87.3Confident187 Ų18760.5 Ų60.598%0.97933%0.329SS*.THydrogen-bonded Turntrans-60.9-25.2-167.8-7886.3000115.2
346A68.2Low87.6Confident94 Ų9457.2 Ų57.278%0.77731%0.311SS*.THydrogen-bonded Turntrans-132.531.4-173.800000112.5G344G344-A346 VanDerWaalsContact C-N 3.25Å; G344-A346 PolarHBondContact O-N 3Å; G344-A346 VanDerWaalsContact O-N 3.12Å
347G79.2Confident88Confident43 Ų4356.8 Ų56.844%0.44331%0.308SS..EExtended strand (participates in β ladder)trans114.3-148.6-173.700000111.3G344G344-G347 CarbonylContact C-O 3.49Å; G344-G347 WeakPolarHBondContact CA-O 3.22Å; G344-G347 PolarHBondContact N-O 3.28Å; G344-G347 PolarHBondContact O-N 2.94Å; G344-G347 VanDerWaalsContact O-O 3.08Å
348Y85.6Confident88.3Confident139 Ų13951.8 Ų51.855%0.54529%0.287SS..EExtended strand (participates in β ladder)trans-82.1137.7-174.5-57-70.6000112.4Q341Q341-Y348 VanDerWaalsContact CD-CD1 3.49Å; Q341-Y348 HydrophobicContact CG-CD1 3.52Å; Q341-Y348 HydrophobicContact CG-CE1 4.26Å; Q341-Y348 HydrophobicContact CG-CG 3.81Å; Q341-Y348 VanDerWaalsContact NE2-CE1 3.3Å
349M90.8Very high88.4Confident47 Ų4755.3 Ų55.323%0.23230%0.302CS..EExtended strand (participates in β ladder)trans-104.9145.8166.9-61.9-177.480.400109.1A307 V308 Q342A307-M349 HydrophobicContact CB-CB 4.13Å; A307-M349 HydrophobicContact CB-CE 3.46Å; A307-M349 VanDerWaalsContact CB-CE 3.46Å; A307-M349 HydrophobicContact CB-SD 4.21Å; V308-M349 WeakPolarHBondContact O-CA 3.43Å; Q342-M349 PolarHBondContact N-O 3.19Å; Q342-M349 PolarHBondContact O-N 3.04Å
350Y92.1Very high88.4Confident7 Ų757.6 Ų57.63%0.02731%0.313CS..EExtended strand (participates in β ladder)trans-115132-178-55.8-70.7000109.4V308 R310 I328 I332 L340 Q341V308-Y350 PolarHBondContact N-O 2.72Å; V308-Y350 PolarHBondContact O-N 2.85Å; R310-Y350 HydrophobicContact CB-CE2 3.98Å; R310-Y350 HydrophobicContact CG-CE2 4.39Å; I328-Y350 HydrophobicContact CD1-CE2 4.28Å; I328-Y350 HydrophobicContact CG2-CD1 4.06Å; I328-Y350 HydrophobicContact CG2-CE1 3.42Å; I328-Y350 VanDerWaalsContact CG2-CE1 3.42Å; I328-Y350 HydrophobicContact CG2-CE2 4.32Å; I332-Y350 HydrophobicContact CD1-CD1 4.21Å; I332-Y350 HydrophobicContact CD1-CE1 3.88Å; L340-Y350 WeakPolarHBondContact O-CA 3.31Å; Q341-Y350 HydrophobicContact CG-CE1 4.24Å
351T92Very high88.5Confident1 Ų155.2 Ų55.21%0.00630%0.3CS..EExtended strand (participates in β ladder)trans-129.8135.8-179.3-64.10000109E304 S305 A307 L339 L340 Q342 P353E304-T351 HydrophobicContact CB-CG2 3.77Å; E304-T351 HydrophobicContact CG-CG2 4.1Å; S305-T351 VanDerWaalsContact O-CG2 3.22Å; S305-T351 WeakPolarHBondContact O-CG2 3.47Å; A307-T351 WeakPolarHBondContact CA-OG1 3.39Å; L339-T351 CarbonylContact C-O 3.42Å; L339-T351 WeakPolarHBondContact CA-O 3.48Å; L340-T351 PolarHBondContact N-O 3.16Å; L340-T351 PolarHBondContact O-N 3.34Å; Q342-T351 PolarHBondContact OE1-OG1 3.25Å; T351-P353 WeakPolarHBondContact O-CD 3.47Å
352C92.8Very high88.8Confident0 Ų051.1 Ų51.10%028%0.281CS..  trans-93.1115.7175.7-174.10000110.1L288 E304 S305 F338 L339 Y354L288-C352 HydrophobicContact CD2-CB 3.92Å; E304-C352 CarbonylContact C-O 3.58Å; E304-C352 WeakPolarHBondContact CA-O 3.37Å; S305-C352 PolarHBondContact N-O 3.26Å; S305-C352 PolarHBondContact OG-N 2.95Å; F338-C352 WeakPolarHBondContact O-CA 3.32Å; F338-C352 PolarHBondContact O-SG 3.23Å; L339-C352 HydrophobicContact CD2-CB 4.37Å; C352-Y354 HydrophobicContact CB-CE1 4.43Å; C352-Y354 PolarHBondContact O-N 3.41Å
353P93.3Very high89.2Confident14 Ų1448.3 Ų48.39%0.09127%0.268CS..  trans-79.586.7179.932.4-34.4000110.9K337 L340 T351 K355 Y356 V357K337-P353 WeakPolarHBondContact O-CD 3.1Å; K337-P353 VanDerWaalsContact O-CG 3.29Å; K337-P353 WeakPolarHBondContact O-CG 3.47Å; L340-P353 HydrophobicContact CD1-CB 3.83Å; L340-P353 HydrophobicContact CD1-CG 3.91Å; L340-P353 HydrophobicContact CG-CB 4.35Å; L340-P353 HydrophobicContact CG-CG 3.88Å; T351-P353 WeakPolarHBondContact O-CD 3.47Å; P353-K355 VanDerWaalsContact C-N 3.26Å; P353-K355 PolarHBondContact O-N 2.86Å; P353-Y356 PolarHBondContact O-N 3.41Å; P353-V357 HydrophobicContact CG-CG2 4.26Å; P353-V357 WeakPolarHBondContact O-CG2 3.33Å; P353-V357 PolarHBondContact O-N 3.11Å
354Y93.1Very high89.6Confident1 Ų146.1 Ų46.10%0.00425%0.246CC..Hα-helixtrans-49.5-44.5-179.3-62-45.8000112.9R264 I268 L288 S302 P303 E304 S305 C352 Y356 V357 I358R264-Y354 VanDerWaalsContact CZ-CZ 3.47Å; R264-Y354 VanDerWaalsContact NH2-CZ 3.26Å; R264-Y354 PolarHBondContact NH2-OH 2.88Å; I268-Y354 HydrophobicContact CD1-CD1 3.62Å; I268-Y354 HydrophobicContact CD1-CE1 3.92Å; L288-Y354 HydrophobicContact CD2-CE1 3.96Å; S302-Y354 WeakPolarHBondContact O-CD2 3.39Å; P303-Y354 PolarHBondContact O-N 3.49Å; E304-Y354 VanDerWaalsContact C-CE2 3.44Å; E304-Y354 WeakPolarHBondContact O-CE2 3.37Å; S305-Y354 VanDerWaalsContact CA-CE2 3.5Å; S305-Y354 VanDerWaalsContact CB-OH 3.26Å; S305-Y354 WeakPolarHBondContact CB-OH 3.45Å; S305-Y354 VanDerWaalsContact N-CE2 3.35Å; C352-Y354 HydrophobicContact CB-CE1 4.43Å; C352-Y354 PolarHBondContact O-N 3.41Å; Y354-Y356 VanDerWaalsContact C-N 3.27Å; Y354-Y356 PolarHBondContact O-N 3.11Å; Y354-V357 PolarHBondContact O-N 2.96Å; Y354-I358 VanDerWaalsContact O-CB 3.23Å; Y354-I358 WeakPolarHBondContact O-CB 3.41Å; Y354-I358 WeakPolarHBondContact O-CG1 3.45Å; Y354-I358 PolarHBondContact O-N 3.35Å
355K92Very high90.3Very high97 Ų9746.5 Ų46.542%0.42224%0.241SC..Hα-helixtrans-56.1-41.1-179.1-174.7168.6-176.5160.90112.9P303 P353 K359 L565 H566P303-K355 PolarHBondContact O-N 3.34Å; P353-K355 VanDerWaalsContact C-N 3.26Å; P353-K355 PolarHBondContact O-N 2.86Å; K355-K359 PolarHBondContact O-N 2.85Å; K355-L565 WeakPolarHBondContact CE-O 3.13Å; K355-L565 PolarHBondContact NZ-O 2.89Å; K355-H566 VanDerWaalsContact CE-ND1 3.34Å; K355-H566 WeakPolarHBondContact CE-ND1 3.44Å; K355-H566 WeakPolarHBondContact CG-CE1 3.21Å; K355-H566 PolarHBondContact O-CE1 3.32Å; K355-H566 PolarHBondContact O-NE2 2.87Å
356Y92.8Very high91.4Very high84 Ų8437.6 Ų37.633%0.32920%0.195SC..Hα-helixtrans-81.3-45.1-179.1-174.4-103.2000111.8E335 V336 K337 P353 Y354 I358 K359 Q360E335-Y356 VanDerWaalsContact O-CE1 3.31Å; E335-Y356 WeakPolarHBondContact O-CE1 3.43Å; E335-Y356 PolarHBondContact O-OH 2.84Å; V336-Y356 VanDerWaalsContact C-CE1 3.46Å; V336-Y356 WeakPolarHBondContact O-CD1 3.37Å; V336-Y356 WeakPolarHBondContact O-CE1 3.35Å; K337-Y356 HydrophobicContact CB-CD1 4.1Å; K337-Y356 HydrophobicContact CB-CE1 3.97Å; K337-Y356 HydrophobicContact CD-CE1 4.31Å; K337-Y356 HydrophobicContact CG-CE1 4.12Å; P353-Y356 PolarHBondContact O-N 3.41Å; Y354-Y356 VanDerWaalsContact C-N 3.27Å; Y354-Y356 PolarHBondContact O-N 3.11Å; Y356-I358 VanDerWaalsContact C-N 3.35Å; Y356-I358 PolarHBondContact O-N 3.1Å; Y356-K359 WeakPolarHBondContact O-CB 3.49Å; Y356-K359 PolarHBondContact O-N 3.23Å; Y356-K359 VanDerWaalsContact O-N 3.16Å; Y356-Q360 HydrophobicContact CE1-CG 4.19Å; Y356-Q360 PolarHBondContact O-N 3.46Å; Y356-Q360 VanDerWaalsContact O-N 3.11Å; Y356-Q360 PolarHBondContact OH-NE2 3.48Å
357V94.2Very high92.6Very high0 Ų034.7 Ų34.70%017%0.165CC..Hα-helixtrans-62.3-42.6179.4178.80000111.2I268 V336 F338 P353 Y354 K359 Q360 L361I268-V357 HydrophobicContact CB-CG1 4.45Å; I268-V357 HydrophobicContact CD1-CG1 4.37Å; I268-V357 HydrophobicContact CG1-CG1 3.91Å; I268-V357 HydrophobicContact CG2-CG1 3.97Å; V336-V357 HydrophobicContact CG1-CG1 4.22Å; V336-V357 HydrophobicContact CG1-CG2 4.36Å; F338-V357 HydrophobicContact CD1-CG1 4.24Å; F338-V357 HydrophobicContact CE1-CG1 4.38Å; P353-V357 HydrophobicContact CG-CG2 4.26Å; P353-V357 WeakPolarHBondContact O-CG2 3.33Å; P353-V357 PolarHBondContact O-N 3.11Å; Y354-V357 PolarHBondContact O-N 2.96Å; V357-K359 VanDerWaalsContact C-N 3.33Å; V357-K359 PolarHBondContact O-N 3.31Å; V357-Q360 PolarHBondContact O-N 3.35Å; V357-L361 WeakPolarHBondContact O-CB 3.43Å; V357-L361 PolarHBondContact O-N 2.99Å
358I94.7Very high93.3Very high1 Ų138.6 Ų38.61%0.00517%0.167CC..Hα-helixtrans-66.3-34.7177-64.4-54.5000111.8R264 I268 Y354 Y356 Q360 L361 F362 L561 F562 L565R264-I358 HydrophobicContact CG-CD1 3.99Å; I268-I358 HydrophobicContact CD1-CD1 4.11Å; I268-I358 HydrophobicContact CG1-CD1 4.08Å; Y354-I358 VanDerWaalsContact O-CB 3.23Å; Y354-I358 WeakPolarHBondContact O-CB 3.41Å; Y354-I358 WeakPolarHBondContact O-CG1 3.45Å; Y354-I358 PolarHBondContact O-N 3.35Å; Y356-I358 VanDerWaalsContact C-N 3.35Å; Y356-I358 PolarHBondContact O-N 3.1Å; I358-Q360 VanDerWaalsContact C-N 3.34Å; I358-Q360 PolarHBondContact O-N 3.39Å; I358-L361 HydrophobicContact CD1-CD2 3.97Å; I358-L361 PolarHBondContact O-N 2.94Å; I358-F362 VanDerWaalsContact O-CB 3.28Å; I358-F362 WeakPolarHBondContact O-CB 3.26Å; I358-F362 PolarHBondContact O-N 3.41Å; I358-L561 HydrophobicContact CD1-CD2 3.67Å; I358-L561 HydrophobicContact CG1-CD2 3.84Å; I358-L561 HydrophobicContact CG1-CG 4.42Å; I358-L561 HydrophobicContact CG2-CB 4.43Å; I358-L561 HydrophobicContact CG2-CD2 4.12Å; I358-L561 HydrophobicContact CG2-CG 4.06Å; I358-F562 HydrophobicContact CG2-CB 4.27Å; I358-L565 HydrophobicContact CB-CD1 4.09Å; I358-L565 HydrophobicContact CG1-CD1 4.04Å; I358-L565 HydrophobicContact CG2-CD1 4.21Å
359K94.6Very high93.7Very high74 Ų7433.8 Ų33.832%0.32215%0.15SC..Hα-helixtrans-59.7-45.7172.2177.8179.1176.8-177.10111K355 Y356 V357 F362 I363 L444 F562K355-K359 PolarHBondContact O-N 2.85Å; Y356-K359 WeakPolarHBondContact O-CB 3.49Å; Y356-K359 PolarHBondContact O-N 3.23Å; Y356-K359 VanDerWaalsContact O-N 3.16Å; V357-K359 VanDerWaalsContact C-N 3.33Å; V357-K359 PolarHBondContact O-N 3.31Å; K359-F362 PolarHBondContact O-N 2.88Å; K359-I363 HydrophobicContact CG-CD1 3.94Å; K359-I363 WeakPolarHBondContact O-CD1 3.44Å; K359-I363 VanDerWaalsContact O-CG1 3.28Å; K359-I363 WeakPolarHBondContact O-CG1 3.37Å; K359-I363 PolarHBondContact O-N 2.91Å; K359-L444 HydrophobicContact CG-CD1 4.46Å; K359-F562 HydrophobicContact CB-CD2 4.32Å; K359-F562 HydrophobicContact CB-CE2 4.06Å; K359-F562 HydrophobicContact CG-CE2 3.98Å
360Q93.8Very high93.9Very high50 Ų5031.5 Ų31.523%0.23414%0.139CC..Hα-helixtrans-68.6-40.1178.2-63.4-61.8-11.800112.4V336 Y356 V357 I358 F362 I363 K364V336-Q360 HydrophobicContact CB-CG 4.48Å; V336-Q360 HydrophobicContact CG1-CB 3.99Å; V336-Q360 HydrophobicContact CG1-CG 4.23Å; V336-Q360 HydrophobicContact CG2-CB 4.13Å; V336-Q360 HydrophobicContact CG2-CG 4.29Å; Y356-Q360 HydrophobicContact CE1-CG 4.19Å; Y356-Q360 PolarHBondContact O-N 3.46Å; Y356-Q360 VanDerWaalsContact O-N 3.11Å; Y356-Q360 PolarHBondContact OH-NE2 3.48Å; V357-Q360 PolarHBondContact O-N 3.35Å; I358-Q360 VanDerWaalsContact C-N 3.34Å; I358-Q360 PolarHBondContact O-N 3.39Å; Q360-F362 VanDerWaalsContact C-N 3.31Å; Q360-F362 PolarHBondContact O-N 3.42Å; Q360-I363 PolarHBondContact O-N 3.43Å; Q360-K364 WeakPolarHBondContact O-CB 3.46Å; Q360-K364 PolarHBondContact O-N 3.46Å
361L94.5Very high94Very high12 Ų1236 Ų366%0.06316%0.16CC..Hα-helixtrans-59.7-42.6173.2-178.163.2000111.4L267 L271 V357 I358 K364 N365 V558L267-L361 HydrophobicContact CB-CD2 4Å; L271-L361 HydrophobicContact CB-CD1 4.19Å; L271-L361 HydrophobicContact CD1-CD1 4.35Å; L271-L361 HydrophobicContact CD2-CB 3.97Å; L271-L361 HydrophobicContact CD2-CD1 3.97Å; L271-L361 HydrophobicContact CG-CD1 4.4Å; V357-L361 WeakPolarHBondContact O-CB 3.43Å; V357-L361 PolarHBondContact O-N 2.99Å; I358-L361 HydrophobicContact CD1-CD2 3.97Å; I358-L361 PolarHBondContact O-N 2.94Å; L361-K364 PolarHBondContact O-N 3.19Å; L361-N365 PolarHBondContact O-N 3.03Å; L361-N365 VanDerWaalsContact O-N 3.09Å; L361-N365 PolarHBondContact O-ND2 2.85Å; L361-V558 HydrophobicContact CD2-CG1 4.21Å; L361-V558 HydrophobicContact CD2-CG2 3.83Å; L361-V558 HydrophobicContact CG-CG1 3.98Å; L361-V558 HydrophobicContact CG-CG2 4.17Å
362F96.4Very high94Very high0 Ų040.6 Ų40.60%019%0.189CC..Hα-helixtrans-64.4-48.1176.5175.5-114.7000111.5I358 K359 Q360 K364 N365 V366 L444 V447 A448 V451 V558 A559 F562I358-F362 VanDerWaalsContact O-CB 3.28Å; I358-F362 WeakPolarHBondContact O-CB 3.26Å; I358-F362 PolarHBondContact O-N 3.41Å; K359-F362 PolarHBondContact O-N 2.88Å; Q360-F362 VanDerWaalsContact C-N 3.31Å; Q360-F362 PolarHBondContact O-N 3.42Å; F362-K364 VanDerWaalsContact C-N 3.32Å; F362-K364 PolarHBondContact O-N 2.9Å; F362-N365 PolarHBondContact O-N 3.01Å; F362-N365 VanDerWaalsContact O-N 3.11Å; F362-V366 HydrophobicContact CD1-CG2 4.38Å; F362-V366 HydrophobicContact CD2-CG2 4.1Å; F362-V366 HydrophobicContact CE1-CG2 3.89Å; F362-V366 HydrophobicContact CE2-CG2 3.55Å; F362-V366 HydrophobicContact CG-CG2 4.47Å; F362-V366 HydrophobicContact CZ-CG2 3.41Å; F362-V366 VanDerWaalsContact CZ-CG2 3.41Å; F362-V366 WeakPolarHBondContact O-CG2 3.32Å; F362-V366 PolarHBondContact O-N 2.83Å; F362-L444 HydrophobicContact CE1-CB 4.47Å; F362-L444 HydrophobicContact CE1-CD2 4.32Å; F362-V447 HydrophobicContact CZ-CG1 4.11Å; F362-A448 HydrophobicContact CE1-CB 4.03Å; F362-A448 HydrophobicContact CE2-CB 4.06Å; F362-A448 HydrophobicContact CZ-CB 3.56Å; F362-V451 HydrophobicContact CE2-CB 4.41Å; F362-V451 HydrophobicContact CE2-CG2 4.38Å; F362-V558 HydrophobicContact CB-CG1 3.87Å; F362-V558 HydrophobicContact CD2-CG1 4.28Å; F362-A559 HydrophobicContact CD2-CB 4.09Å; F362-A559 HydrophobicContact CE2-CB 3.7Å; F362-F562 HydrophobicContact CB-CB 4.13Å; F362-F562 HydrophobicContact CB-CD2 4.25Å; F362-F562 HydrophobicContact CB-CG 4.22Å; F362-F562 HydrophobicContact CD1-CB 4.38Å; F362-F562 AromaticContact CD1-CD1 3.84Å; F362-F562 HydrophobicContact CD1-CD1 3.84Å; F362-F562 HydrophobicContact CD1-CD2 4.05Å; F362-F562 HydrophobicContact CD1-CE1 4.11Å; F362-F562 HydrophobicContact CD1-CE2 4.32Å; F362-F562 AromaticContact CD1-CG 3.8Å; F362-F562 HydrophobicContact CD1-CG 3.8Å; F362-F562 HydrophobicContact CD1-CZ 4.35Å; F362-F562 HydrophobicContact CD2-CB 4.45Å; F362-F562 AromaticContact CE1-CD1 3.99Å; F362-F562 HydrophobicContact CE1-CD1 3.99Å; F362-F562 HydrophobicContact CE1-CE1 4.09Å; F362-F562 HydrophobicContact CE1-CG 4.41Å; F362-F562 HydrophobicContact CG-CB 4.05Å; F362-F562 HydrophobicContact CG-CD1 4.34Å; F362-F562 HydrophobicContact CG-CD2 4.34Å; F362-F562 AromaticContact CG-CG 3.97Å; F362-F562 HydrophobicContact CG-CG 3.97Å
363I95.3Very high94Very high10 Ų1044.1 Ų44.15%0.05121%0.207CC..Hα-helixtrans-55.4-47.8176-71.2161.1000110.5K359 Q360 N365 V366 E367 L386 L444K359-I363 HydrophobicContact CG-CD1 3.94Å; K359-I363 WeakPolarHBondContact O-CD1 3.44Å; K359-I363 VanDerWaalsContact O-CG1 3.28Å; K359-I363 WeakPolarHBondContact O-CG1 3.37Å; K359-I363 PolarHBondContact O-N 2.91Å; Q360-I363 PolarHBondContact O-N 3.43Å; I363-N365 VanDerWaalsContact C-N 3.32Å; I363-N365 PolarHBondContact O-N 3.27Å; I363-V366 PolarHBondContact O-N 2.87Å; I363-V366 VanDerWaalsContact O-N 3.14Å; I363-E367 HydrophobicContact CG2-CG 4.27Å; I363-E367 WeakPolarHBondContact O-CG 3.43Å; I363-E367 PolarHBondContact O-N 3.32Å; I363-L386 HydrophobicContact CD1-CD1 4.47Å; I363-L386 HydrophobicContact CD1-CD2 4.11Å; I363-L386 HydrophobicContact CG1-CD2 4.29Å; I363-L386 HydrophobicContact CG2-CD2 3.56Å; I363-L444 HydrophobicContact CD1-CD1 4.4Å; I363-L444 HydrophobicContact CG1-CD2 4.2Å
364K94.1Very high94Very high79 Ų7943.9 Ų43.934%0.34320%0.204SC..Hα-helixtrans-58.6-41.1177.5-177.6180173.9-179.50112.7L271 E274 Q360 L361 F362 E367 Y368L271-K364 HydrophobicContact CD1-CD 3.4Å; L271-K364 VanDerWaalsContact CD1-CD 3.4Å; E274-K364 IonicContact OE2-NZ 3.39Å; E274-K364 PolarHBondContact OE2-NZ 2.92Å; Q360-K364 WeakPolarHBondContact O-CB 3.46Å; Q360-K364 PolarHBondContact O-N 3.46Å; L361-K364 PolarHBondContact O-N 3.19Å; F362-K364 VanDerWaalsContact C-N 3.32Å; F362-K364 PolarHBondContact O-N 2.9Å; K364-E367 PolarHBondContact O-N 3.46Å; K364-Y368 PolarHBondContact O-N 2.96Å
365N94.1Very high94Very high37 Ų3749.3 Ų49.320%0.19823%0.23CC..Hα-helixtrans-65.8-41.4176.1-80.3-67.7000111.9L361 F362 I363 Y368 I369L361-N365 PolarHBondContact O-N 3.03Å; L361-N365 VanDerWaalsContact O-N 3.09Å; L361-N365 PolarHBondContact O-ND2 2.85Å; F362-N365 PolarHBondContact O-N 3.01Å; F362-N365 VanDerWaalsContact O-N 3.11Å; I363-N365 VanDerWaalsContact C-N 3.32Å; I363-N365 PolarHBondContact O-N 3.27Å; N365-Y368 PolarHBondContact O-N 2.94Å; N365-I369 WeakPolarHBondContact O-CG1 3.32Å; N365-I369 PolarHBondContact O-N 2.95Å
366V95.5Very high94Very high0 Ų048.5 Ų48.50%024%0.236CC..Hα-helixtrans-63.9-44.3175.4173.50000111F362 I363 Y368 I369 I370 F382 V447 V451F362-V366 HydrophobicContact CD1-CG2 4.38Å; F362-V366 HydrophobicContact CD2-CG2 4.1Å; F362-V366 HydrophobicContact CE1-CG2 3.89Å; F362-V366 HydrophobicContact CE2-CG2 3.55Å; F362-V366 HydrophobicContact CG-CG2 4.47Å; F362-V366 HydrophobicContact CZ-CG2 3.41Å; F362-V366 VanDerWaalsContact CZ-CG2 3.41Å; F362-V366 WeakPolarHBondContact O-CG2 3.32Å; F362-V366 PolarHBondContact O-N 2.83Å; I363-V366 PolarHBondContact O-N 2.87Å; I363-V366 VanDerWaalsContact O-N 3.14Å; V366-Y368 VanDerWaalsContact C-N 3.28Å; V366-Y368 PolarHBondContact O-N 3.43Å; V366-I369 PolarHBondContact O-N 2.9Å; V366-I369 VanDerWaalsContact O-N 3.13Å; V366-I370 HydrophobicContact CG1-CD1 3.67Å; V366-I370 HydrophobicContact CG1-CG1 4.23Å; V366-I370 WeakPolarHBondContact O-CG1 3.24Å; V366-I370 PolarHBondContact O-N 3.23Å; V366-F382 HydrophobicContact CB-CZ 4.42Å; V366-F382 HydrophobicContact CG1-CE1 3.98Å; V366-F382 HydrophobicContact CG1-CE2 4Å; V366-F382 HydrophobicContact CG1-CZ 3.48Å; V366-F382 VanDerWaalsContact CG1-CZ 3.48Å; V366-V447 HydrophobicContact CG1-CG1 3.82Å; V366-V447 HydrophobicContact CG2-CG1 3.82Å; V366-V451 HydrophobicContact CG2-CG2 4.11Å
367E95Very high94Very high32 Ų3246.1 Ų46.115%0.1523%0.23CC..Hα-helixtrans-56.8-43.7175.8-75.7-167.1162.500111.6I363 K364 I370 Q371 L379 F382 R383I363-E367 HydrophobicContact CG2-CG 4.27Å; I363-E367 WeakPolarHBondContact O-CG 3.43Å; I363-E367 PolarHBondContact O-N 3.32Å; K364-E367 PolarHBondContact O-N 3.46Å; E367-I370 PolarHBondContact O-N 3.48Å; E367-Q371 VanDerWaalsContact O-CB 3.3Å; E367-Q371 WeakPolarHBondContact O-CB 3.5Å; E367-Q371 PolarHBondContact O-N 3.46Å; E367-L379 HydrophobicContact CB-CD1 3.61Å; E367-L379 HydrophobicContact CG-CD1 3.66Å; E367-F382 HydrophobicContact CG-CD1 4.21Å; E367-F382 HydrophobicContact CG-CE1 4.2Å; E367-R383 VanDerWaalsContact CD-NE 3.32Å; E367-R383 VanDerWaalsContact OE1-CG 3.23Å; E367-R383 WeakPolarHBondContact OE1-CG 3.46Å; E367-R383 IonicContact OE1-CZ 2.66Å; E367-R383 IonicContact OE1-NE 3.81Å; E367-R383 PolarHBondContact OE1-NE 3.16Å; E367-R383 IonicContact OE1-NH2 3.79Å; E367-R383 IonicContact OE2-CZ 2.85Å; E367-R383 IonicContact OE2-NE 3.46Å; E367-R383 PolarHBondContact OE2-NE 3.13Å; E367-R383 IonicContact OE2-NH2 3.86Å; E367-R383 PolarHBondContact OE2-NH2 3.12Å
368Y93.6Very high93.9Very high126 Ų12646.1 Ų46.149%0.49423%0.23SC..Hα-helixtrans-61.5-45.4175.2179.6-104000112K364 N365 V366 I370 Q371 V372K364-Y368 PolarHBondContact O-N 2.96Å; N365-Y368 PolarHBondContact O-N 2.94Å; V366-Y368 VanDerWaalsContact C-N 3.28Å; V366-Y368 PolarHBondContact O-N 3.43Å; Y368-I370 VanDerWaalsContact C-N 3.34Å; Y368-I370 PolarHBondContact O-N 2.73Å; Y368-Q371 PolarHBondContact O-N 3.02Å; Y368-V372 HydrophobicContact CE1-CG2 4.3Å; Y368-V372 HydrophobicContact CE2-CG2 4.38Å; Y368-V372 WeakPolarHBondContact O-CG2 3.44Å; Y368-V372 PolarHBondContact O-N 3.07Å; Y368-V372 VanDerWaalsContact O-N 3.09Å
369I93.6Very high93.9Very high37 Ų3746.7 Ų46.719%0.1923%0.233CC..Hα-helixtrans-60.4-45.3176.8-67.4165.4000110.6N365 V366 Q371 V372 L373 F419 V451N365-I369 WeakPolarHBondContact O-CG1 3.32Å; N365-I369 PolarHBondContact O-N 2.95Å; V366-I369 PolarHBondContact O-N 2.9Å; V366-I369 VanDerWaalsContact O-N 3.13Å; I369-Q371 VanDerWaalsContact C-N 3.35Å; I369-Q371 PolarHBondContact O-N 3.29Å; I369-V372 PolarHBondContact O-N 3.49Å; I369-L373 HydrophobicContact CG2-CD1 3.77Å; I369-L373 HydrophobicContact CG2-CG 4.41Å; I369-L373 WeakPolarHBondContact O-CG 3.23Å; I369-L373 PolarHBondContact O-N 3.46Å; I369-F419 HydrophobicContact CG2-CE1 4.4Å; I369-F419 HydrophobicContact CG2-CZ 4.06Å; I369-V451 HydrophobicContact CD1-CG1 3.97Å; I369-V451 HydrophobicContact CD1-CG2 4.12Å
370I94.8Very high93.8Very high0 Ų048.4 Ų48.40%024%0.237CC..Hα-helixtrans-65.1-40.4179-69.7174000110.9V366 E367 Y368 V372 L373 F374 L379 F382 M414 F419V366-I370 HydrophobicContact CG1-CD1 3.67Å; V366-I370 HydrophobicContact CG1-CG1 4.23Å; V366-I370 WeakPolarHBondContact O-CG1 3.24Å; V366-I370 PolarHBondContact O-N 3.23Å; E367-I370 PolarHBondContact O-N 3.48Å; Y368-I370 VanDerWaalsContact C-N 3.34Å; Y368-I370 PolarHBondContact O-N 2.73Å; I370-V372 VanDerWaalsContact C-N 3.26Å; I370-V372 PolarHBondContact O-N 3Å; I370-L373 PolarHBondContact O-N 2.84Å; I370-F374 HydrophobicContact CB-CD2 4.48Å; I370-F374 HydrophobicContact CG2-CB 4.4Å; I370-F374 HydrophobicContact CG2-CD2 4.05Å; I370-F374 WeakPolarHBondContact O-CA 3.48Å; I370-F374 PolarHBondContact O-N 3.04Å; I370-L379 HydrophobicContact CG2-CB 4.44Å; I370-F382 HydrophobicContact CD1-CB 3.92Å; I370-F382 HydrophobicContact CD1-CD1 3.83Å; I370-F382 HydrophobicContact CD1-CD2 3.2Å; I370-F382 HydrophobicContact CD1-CE1 4.12Å; I370-F382 HydrophobicContact CD1-CE2 3.53Å; I370-F382 HydrophobicContact CD1-CG 3.36Å; I370-F382 HydrophobicContact CD1-CZ 3.99Å; I370-F382 HydrophobicContact CG2-CB 4.42Å; I370-M414 HydrophobicContact CD1-CE 4.41Å; I370-M414 HydrophobicContact CG2-CE 4.19Å; I370-F419 HydrophobicContact CD1-CD1 3.97Å; I370-F419 HydrophobicContact CD1-CE1 4.48Å; I370-F419 HydrophobicContact CD1-CG 4.4Å; I370-F419 HydrophobicContact CG1-CD1 3.97Å; I370-F419 HydrophobicContact CG1-CE1 4.06Å; I370-F419 HydrophobicContact CG1-CG 4.39Å
371Q94.5Very high93.8Very high100 Ų10046 Ų4647%0.46723%0.226SC..Hα-helixtrans-60.9-36.9176.7-172.9179.65.400111.9E367 Y368 I369 E375 L379E367-Q371 VanDerWaalsContact O-CB 3.3Å; E367-Q371 WeakPolarHBondContact O-CB 3.5Å; E367-Q371 PolarHBondContact O-N 3.46Å; Y368-Q371 PolarHBondContact O-N 3.02Å; I369-Q371 VanDerWaalsContact C-N 3.35Å; I369-Q371 PolarHBondContact O-N 3.29Å; Q371-E375 WeakPolarHBondContact O-CA 3.39Å; Q371-E375 PolarHBondContact O-N 3.21Å; Q371-E375 VanDerWaalsContact O-N 3.11Å; Q371-L379 HydrophobicContact CB-CD2 4.33Å; Q371-L379 HydrophobicContact CG-CD2 4.43Å
372V92.1Very high93.8Very high99 Ų9945.5 Ų45.560%0.622%0.223SC*.Hα-helixtrans-73.1-39.8176.6174.80000111.1Y368 I369 I370Y368-V372 HydrophobicContact CE1-CG2 4.3Å; Y368-V372 HydrophobicContact CE2-CG2 4.38Å; Y368-V372 WeakPolarHBondContact O-CG2 3.44Å; Y368-V372 PolarHBondContact O-N 3.07Å; Y368-V372 VanDerWaalsContact O-N 3.09Å; I369-V372 PolarHBondContact O-N 3.49Å; I370-V372 VanDerWaalsContact C-N 3.26Å; I370-V372 PolarHBondContact O-N 3Å
373L92.6Very high93.7Very high74 Ų7451 Ų5139%0.38724%0.244SC..Hα-helixtrans-83.7-34.4-174.6-67.4177000114.7I369 I370 F419I369-L373 HydrophobicContact CG2-CD1 3.77Å; I369-L373 HydrophobicContact CG2-CG 4.41Å; I369-L373 WeakPolarHBondContact O-CG 3.23Å; I369-L373 PolarHBondContact O-N 3.46Å; I370-L373 PolarHBondContact O-N 2.84Å; L373-F419 HydrophobicContact CD1-CE2 4.02Å; L373-F419 HydrophobicContact CD1-CZ 4Å
374F93.1Very high93.6Very high8 Ų852 Ų524%0.03525%0.248CC..Hα-helixtrans-129.711.3-170.5-54.5-83.3000113.5I370 G378 I410 R413 M414 M417 F419I370-F374 HydrophobicContact CB-CD2 4.48Å; I370-F374 HydrophobicContact CG2-CB 4.4Å; I370-F374 HydrophobicContact CG2-CD2 4.05Å; I370-F374 WeakPolarHBondContact O-CA 3.48Å; I370-F374 PolarHBondContact O-N 3.04Å; F374-G378 PolarHBondContact O-N 2.92Å; F374-I410 HydrophobicContact CB-CG2 4.34Å; F374-I410 HydrophobicContact CD1-CG2 4.28Å; F374-R413 HydrophobicContact CE1-CB 4.01Å; F374-R413 HydrophobicContact CE1-CG 3.83Å; F374-M414 HydrophobicContact CD1-CG 3.68Å; F374-M414 HydrophobicContact CD2-CG 4.06Å; F374-M414 HydrophobicContact CE1-CB 4.41Å; F374-M414 HydrophobicContact CE1-CG 3.61Å; F374-M414 HydrophobicContact CE2-CG 4.01Å; F374-M414 HydrophobicContact CG-CG 3.9Å; F374-M414 HydrophobicContact CZ-CB 4.39Å; F374-M414 HydrophobicContact CZ-CG 3.79Å; F374-M417 HydrophobicContact CZ-CB 4.34Å; F374-M417 HydrophobicContact CZ-CG 4.12Å; F374-F419 AromaticContact CE2-CD2 3.66Å; F374-F419 HydrophobicContact CE2-CD2 3.66Å; F374-F419 AromaticContact CE2-CE2 3.69Å; F374-F419 HydrophobicContact CE2-CE2 3.69Å; F374-F419 HydrophobicContact CZ-CD2 4.04Å; F374-F419 HydrophobicContact CZ-CE2 4.22Å
375E92.6Very high93.6Very high116 Ų11648.4 Ų48.454%0.54223%0.232SC..Hα-helixtrans60.2-166.5178-56.4168.3-170.800112.6Q371 N377 L379Q371-E375 WeakPolarHBondContact O-CA 3.39Å; Q371-E375 PolarHBondContact O-N 3.21Å; Q371-E375 VanDerWaalsContact O-N 3.11Å; E375-N377 PolarHBondContact O-N 3.31Å; E375-L379 PolarHBondContact O-N 3.35Å
376S91.9Very high93.5Very high79 Ų7949.3 Ų49.355%0.55224%0.237SC*.Hα-helixtrans-63.7-30177.752.20000112.8L379 R380S376-L379 PolarHBondContact O-N 3.05Å; S376-R380 PolarHBondContact O-N 3.32Å
377N93Very high93.4Very high35 Ų3556.7 Ų56.719%0.18728%0.276CS..Hα-helixtrans-65.7-47.9-179.4-70.5-11.9000111.7E375 R380 I381 L402 I410E375-N377 PolarHBondContact O-N 3.31Å; N377-R380 PolarHBondContact O-N 3.15Å; N377-I381 PolarHBondContact O-N 3.01Å; N377-L402 HydrophobicContact CB-CD1 4.13Å; N377-L402 HydrophobicContact CB-CD2 4.03Å; N377-L402 WeakPolarHBondContact OD1-CD2 3.44Å; N377-I410 HydrophobicContact CB-CD1 3.4Å; N377-I410 VanDerWaalsContact CB-CD1 3.4Å
378G92.9Very high93.1Very high0 Ų057.6 Ų57.60%029%0.289CS..Hα-helixtrans-66.4-37.2175.600000112.8F374 R380 I381 F382F374-G378 PolarHBondContact O-N 2.92Å; G378-R380 VanDerWaalsContact C-N 3.28Å; G378-R380 PolarHBondContact O-N 3.3Å; G378-I381 PolarHBondContact O-N 2.92Å; G378-F382 PolarHBondContact O-N 2.85Å
379L94.2Very high92.9Very high13 Ų1352.7 Ų52.77%0.06828%0.276CS..Hα-helixtrans-60.5-39.1174.3179.561.3000111.9E367 I370 Q371 E375 S376 F382 R383E367-L379 HydrophobicContact CB-CD1 3.61Å; E367-L379 HydrophobicContact CG-CD1 3.66Å; I370-L379 HydrophobicContact CG2-CB 4.44Å; Q371-L379 HydrophobicContact CB-CD2 4.33Å; Q371-L379 HydrophobicContact CG-CD2 4.43Å; E375-L379 PolarHBondContact O-N 3.35Å; S376-L379 PolarHBondContact O-N 3.05Å; L379-F382 PolarHBondContact O-N 3.06Å; L379-R383 HydrophobicContact CD1-CG 4.19Å; L379-R383 HydrophobicContact CG-CG 4.5Å; L379-R383 WeakPolarHBondContact O-CB 3.22Å; L379-R383 WeakPolarHBondContact O-CG 3.31Å; L379-R383 PolarHBondContact O-N 3.4Å
380R93Very high92.7Very high110 Ų11055.1 Ų55.142%0.41529%0.294SS..Hα-helixtrans-64.5-43.6178.2-161.9-179.1-175.5-179.6-2.7112.2S376 N377 G378 F382 F384 V400 L401S376-R380 PolarHBondContact O-N 3.32Å; N377-R380 PolarHBondContact O-N 3.15Å; G378-R380 VanDerWaalsContact C-N 3.28Å; G378-R380 PolarHBondContact O-N 3.3Å; R380-F382 VanDerWaalsContact C-N 3.34Å; R380-F384 WeakPolarHBondContact O-CB 3.29Å; R380-F384 PolarHBondContact O-N 3.47Å; R380-V400 HydrophobicContact CB-CG1 4.28Å; R380-V400 VanDerWaalsContact CD-O 3.31Å; R380-V400 WeakPolarHBondContact CD-O 3.47Å; R380-V400 HydrophobicContact CG-CG1 3.97Å; R380-V400 PolarHBondContact NE-O 3.24Å; R380-V400 PolarHBondContact NH1-O 3.29Å; R380-V400 VanDerWaalsContact NH1-O 3.09Å; R380-V400 PolarHBondContact NH2-O 2.8Å; R380-L401 PolarHBondContact NH1-O 3.04Å
381I93.7Very high92.5Very high0 Ų055.2 Ų55.20%030%0.295CS..Hα-helixtrans-60.7-46.5174.4-63.5167.5000109.9N377 G378 F384 L385 I396 V400 L402 F407 I410 L411 M414 I420N377-I381 PolarHBondContact O-N 3.01Å; G378-I381 PolarHBondContact O-N 2.92Å; I381-F384 PolarHBondContact O-N 3.2Å; I381-L385 HydrophobicContact CG2-CD1 4.13Å; I381-L385 WeakPolarHBondContact O-CG 3.28Å; I381-L385 PolarHBondContact O-N 3.37Å; I381-I396 HydrophobicContact CG2-CG2 4.39Å; I381-V400 HydrophobicContact CG1-CG1 3.85Å; I381-L402 HydrophobicContact CD1-CD1 4.08Å; I381-L402 HydrophobicContact CG1-CD1 3.9Å; I381-F407 HydrophobicContact CD1-CD2 3.87Å; I381-F407 HydrophobicContact CD1-CE2 4.19Å; I381-F407 HydrophobicContact CG1-CD2 4.32Å; I381-F407 HydrophobicContact CG1-CE2 4.41Å; I381-I410 HydrophobicContact CD1-CB 4.33Å; I381-I410 HydrophobicContact CD1-CG2 3.93Å; I381-L411 HydrophobicContact CG2-CD1 4.14Å; I381-M414 HydrophobicContact CB-SD 4.36Å; I381-M414 HydrophobicContact CG2-SD 4.41Å; I381-I420 HydrophobicContact CG2-CD1 4.09Å
382F94.4Very high92.3Very high0 Ų053.1 Ų53.10%029%0.287CS..Hα-helixtrans-60.9-49.8-179.9-174.3-100.2000112.4V366 E367 I370 G378 L379 R380 F384 L385 L386 M414 I442V366-F382 HydrophobicContact CB-CZ 4.42Å; V366-F382 HydrophobicContact CG1-CE1 3.98Å; V366-F382 HydrophobicContact CG1-CE2 4Å; V366-F382 HydrophobicContact CG1-CZ 3.48Å; V366-F382 VanDerWaalsContact CG1-CZ 3.48Å; E367-F382 HydrophobicContact CG-CD1 4.21Å; E367-F382 HydrophobicContact CG-CE1 4.2Å; I370-F382 HydrophobicContact CD1-CB 3.92Å; I370-F382 HydrophobicContact CD1-CD1 3.83Å; I370-F382 HydrophobicContact CD1-CD2 3.2Å; I370-F382 HydrophobicContact CD1-CE1 4.12Å; I370-F382 HydrophobicContact CD1-CE2 3.53Å; I370-F382 HydrophobicContact CD1-CG 3.36Å; I370-F382 HydrophobicContact CD1-CZ 3.99Å; I370-F382 HydrophobicContact CG2-CB 4.42Å; G378-F382 PolarHBondContact O-N 2.85Å; L379-F382 PolarHBondContact O-N 3.06Å; R380-F382 VanDerWaalsContact C-N 3.34Å; F382-F384 VanDerWaalsContact C-N 3.32Å; F382-F384 PolarHBondContact O-N 3.3Å; F382-L385 PolarHBondContact O-N 2.92Å; F382-L386 HydrophobicContact CE1-CD2 4.48Å; F382-L386 WeakPolarHBondContact O-CB 3.48Å; F382-L386 PolarHBondContact O-N 3.1Å; F382-M414 HydrophobicContact CB-CE 3.99Å; F382-M414 HydrophobicContact CD2-CE 4.43Å; F382-I442 HydrophobicContact CD2-CD1 3.41Å; F382-I442 VanDerWaalsContact CD2-CD1 3.41Å; F382-I442 HydrophobicContact CD2-CG1 4.11Å; F382-I442 HydrophobicContact CE2-CD1 3.49Å; F382-I442 VanDerWaalsContact CE2-CD1 3.49Å; F382-I442 HydrophobicContact CE2-CG1 4Å; F382-I442 HydrophobicContact CE2-CG2 3.79Å; F382-I442 HydrophobicContact CG-CD1 3.97Å; F382-I442 HydrophobicContact CZ-CD1 4.08Å; F382-I442 HydrophobicContact CZ-CG2 4.14Å; F382-I442 WeakPolarHBondContact O-CD1 3.47Å
383R93.7Very high92.1Very high115 Ų11552 Ų5243%0.43428%0.277SS..Hα-helixtrans-60.5-41.1177.6-77.4-179.3173.8170.63.5112.4E367 L379 L386 L387E367-R383 VanDerWaalsContact CD-NE 3.32Å; E367-R383 VanDerWaalsContact OE1-CG 3.23Å; E367-R383 WeakPolarHBondContact OE1-CG 3.46Å; E367-R383 IonicContact OE1-CZ 2.66Å; E367-R383 IonicContact OE1-NE 3.81Å; E367-R383 PolarHBondContact OE1-NE 3.16Å; E367-R383 IonicContact OE1-NH2 3.79Å; E367-R383 IonicContact OE2-CZ 2.85Å; E367-R383 IonicContact OE2-NE 3.46Å; E367-R383 PolarHBondContact OE2-NE 3.13Å; E367-R383 IonicContact OE2-NH2 3.86Å; E367-R383 PolarHBondContact OE2-NH2 3.12Å; L379-R383 HydrophobicContact CD1-CG 4.19Å; L379-R383 HydrophobicContact CG-CG 4.5Å; L379-R383 WeakPolarHBondContact O-CB 3.22Å; L379-R383 WeakPolarHBondContact O-CG 3.31Å; L379-R383 PolarHBondContact O-N 3.4Å; R383-L386 PolarHBondContact O-N 3.06Å; R383-L387 WeakPolarHBondContact O-CG 3.16Å; R383-L387 PolarHBondContact O-N 3.28Å; R383-L387 VanDerWaalsContact O-N 3.1Å
384F93.8Very high91.9Very high32 Ų3253.6 Ų53.614%0.1428%0.283CS..Hα-helixtrans-59.1-51.1175.9172.9-99.9000111.3R380 I381 F382 L386 L387 A388 I396 K399 V400R380-F384 WeakPolarHBondContact O-CB 3.29Å; R380-F384 PolarHBondContact O-N 3.47Å; I381-F384 PolarHBondContact O-N 3.2Å; F382-F384 VanDerWaalsContact C-N 3.32Å; F382-F384 PolarHBondContact O-N 3.3Å; F384-L386 VanDerWaalsContact C-N 3.27Å; F384-L386 PolarHBondContact O-N 3.02Å; F384-L387 PolarHBondContact O-N 3.03Å; F384-A388 HydrophobicContact CD2-CB 4.21Å; F384-A388 HydrophobicContact CE1-CB 4.08Å; F384-A388 HydrophobicContact CE2-CB 3.63Å; F384-A388 HydrophobicContact CZ-CB 3.56Å; F384-A388 VanDerWaalsContact O-CB 3.29Å; F384-A388 WeakPolarHBondContact O-CB 3.41Å; F384-A388 PolarHBondContact O-N 3.38Å; F384-I396 HydrophobicContact CD1-CG1 4.24Å; F384-I396 HydrophobicContact CD1-CG2 4.15Å; F384-I396 HydrophobicContact CE1-CB 4.26Å; F384-I396 HydrophobicContact CE1-CG1 3.81Å; F384-I396 HydrophobicContact CE1-CG2 4.4Å; F384-K399 HydrophobicContact CD2-CB 4.19Å; F384-K399 HydrophobicContact CE2-CB 3.59Å; F384-K399 HydrophobicContact CE2-CD 3.47Å; F384-K399 VanDerWaalsContact CE2-CD 3.47Å; F384-K399 HydrophobicContact CE2-CG 4.18Å; F384-K399 HydrophobicContact CZ-CB 3.88Å; F384-K399 HydrophobicContact CZ-CD 3.55Å; F384-K399 HydrophobicContact CZ-CG 4.32Å; F384-V400 HydrophobicContact CB-CG2 3.77Å; F384-V400 HydrophobicContact CD1-CG2 3.77Å; F384-V400 HydrophobicContact CD2-CG2 4.4Å; F384-V400 HydrophobicContact CG-CG2 3.68Å
385L93.7Very high91.7Very high3 Ų356.4 Ų56.42%0.01630%0.296CS..Hα-helixtrans-64.4-30.9179.7-71.6176.1000112.9I381 F382 G389 I396 I420 Y440 I442I381-L385 HydrophobicContact CG2-CD1 4.13Å; I381-L385 WeakPolarHBondContact O-CG 3.28Å; I381-L385 PolarHBondContact O-N 3.37Å; F382-L385 PolarHBondContact O-N 2.92Å; L385-G389 WeakPolarHBondContact O-CA 3.39Å; L385-G389 PolarHBondContact O-N 2.86Å; L385-G389 VanDerWaalsContact O-N 3.12Å; L385-I396 HydrophobicContact CD2-CD1 3.81Å; L385-I396 HydrophobicContact CD2-CG1 4Å; L385-I420 HydrophobicContact CD1-CD1 3.68Å; L385-I420 HydrophobicContact CD1-CG1 3.97Å; L385-I420 HydrophobicContact CD1-CG2 4.05Å; L385-Y440 WeakPolarHBondContact CD2-O 3.38Å; L385-I442 HydrophobicContact CB-CD1 3.47Å; L385-I442 VanDerWaalsContact CB-CD1 3.47Å; L385-I442 HydrophobicContact CB-CG1 3.88Å; L385-I442 HydrophobicContact CD1-CG1 4.4Å
386L92.5Very high91.6Very high57 Ų5750.9 Ų50.930%0.29827%0.27SS..Hα-helixtrans-70.7-34.9177.4-173.565.7000112.1I363 F382 R383 F384 I442 L444I363-L386 HydrophobicContact CD1-CD1 4.47Å; I363-L386 HydrophobicContact CD1-CD2 4.11Å; I363-L386 HydrophobicContact CG1-CD2 4.29Å; I363-L386 HydrophobicContact CG2-CD2 3.56Å; F382-L386 HydrophobicContact CE1-CD2 4.48Å; F382-L386 WeakPolarHBondContact O-CB 3.48Å; F382-L386 PolarHBondContact O-N 3.1Å; R383-L386 PolarHBondContact O-N 3.06Å; F384-L386 VanDerWaalsContact C-N 3.27Å; F384-L386 PolarHBondContact O-N 3.02Å; L386-I442 HydrophobicContact CB-CD1 4.14Å; L386-L444 HydrophobicContact CD1-CD2 4.35Å
387L91.8Very high91.4Very high155 Ų15549.2 Ų49.281%0.81225%0.254SS*.Hα-helixtrans-86.5-45.8-179.5-68.4172.2000112.9R383 F384R383-L387 WeakPolarHBondContact O-CG 3.16Å; R383-L387 PolarHBondContact O-N 3.28Å; R383-L387 VanDerWaalsContact O-N 3.1Å; F384-L387 PolarHBondContact O-N 3.03Å
388A88.9Confident91.2Very high51 Ų5155.8 Ų55.842%0.42128%0.276SS..Hα-helixtrans-81.4-22.5-175.500000113.1F384F384-A388 HydrophobicContact CD2-CB 4.21Å; F384-A388 HydrophobicContact CE1-CB 4.08Å; F384-A388 HydrophobicContact CE2-CB 3.63Å; F384-A388 HydrophobicContact CZ-CB 3.56Å; F384-A388 VanDerWaalsContact O-CB 3.29Å; F384-A388 WeakPolarHBondContact O-CB 3.41Å; F384-A388 PolarHBondContact O-N 3.38Å
389G89.2Confident91Very high23 Ų2361.2 Ų61.224%0.23730%0.299CS..  trans80.9-161.6-173.600000113.2L385 S391L385-G389 WeakPolarHBondContact O-CA 3.39Å; L385-G389 PolarHBondContact O-N 2.86Å; L385-G389 VanDerWaalsContact O-N 3.12Å; G389-S391 PolarHBondContact O-N 3.36Å; G389-S391 PolarHBondContact O-OG 3.07Å
390P89.6Confident90.6Very high87 Ų8760.7 Ų60.757%0.56530%0.297SS*.SBendtrans-58.2120.5-177.8-21.732.5000111.5Y440P390-Y440 WeakPolarHBondContact CA-O 3.23Å
391S91.2Very high90.2Very high2 Ų261.6 Ų61.61%0.01431%0.309CS..EExtended strand (participates in β ladder)trans-129149.9-172.2-58.70000111.8G389 Y440G389-S391 PolarHBondContact O-N 3.36Å; G389-S391 PolarHBondContact O-OG 3.07Å; S391-Y440 PolarHBondContact N-O 2.99Å; S391-Y440 PolarHBondContact O-N 3.48Å
392N89.8Confident90Very high56 Ų5662.7 Ų62.730%0.29932%0.315SS..EExtended strand (participates in β ladder)trans-77.5157.9173.6-68.7-40.8000111.6E394 E395 I396 F437 L439N392-E394 PolarHBondContact O-N 2.72Å; N392-E395 HydrophobicContact CB-CB 4.46Å; N392-E395 PolarHBondContact O-N 3.32Å; N392-E395 VanDerWaalsContact O-N 3.14Å; N392-I396 WeakPolarHBondContact O-CD1 3.46Å; N392-I396 VanDerWaalsContact O-CG1 3.26Å; N392-I396 WeakPolarHBondContact O-CG1 3.4Å; N392-I396 PolarHBondContact O-N 3.4Å; N392-I396 VanDerWaalsContact O-N 3.09Å; N392-F437 WeakPolarHBondContact OD1-CD2 3.22Å; N392-L439 WeakPolarHBondContact OD1-CD2 3.38Å
393L89.1Confident89.7Confident76 Ų7666 Ų6640%0.39834%0.336SS..Hα-helixtrans-52.7-49.4177.9-175.264.7000112.9E395 I396 E397 F407 L411 Y440L393-E395 VanDerWaalsContact C-N 3.3Å; L393-E395 PolarHBondContact O-N 3.16Å; L393-I396 PolarHBondContact O-N 3.3Å; L393-E397 WeakPolarHBondContact O-CB 3.48Å; L393-E397 PolarHBondContact O-N 3.48Å; L393-F407 HydrophobicContact CD1-CE1 3.63Å; L393-F407 HydrophobicContact CD1-CZ 3.84Å; L393-F407 HydrophobicContact CG-CE1 4.45Å; L393-L411 HydrophobicContact CD1-CD2 3.37Å; L393-Y440 HydrophobicContact CB-CE2 3.95Å; L393-Y440 HydrophobicContact CD1-CE2 4.15Å
394E88Confident89.4Confident107 Ų10766.1 Ų66.150%0.534%0.342SS..Hα-helixtrans-62.4-36.4-179.3-66.2-177.2-152.900112.8N392 R398N392-E394 PolarHBondContact O-N 2.72Å; E394-R398 WeakPolarHBondContact O-CB 3.35Å; E394-R398 VanDerWaalsContact O-CG 3.26Å; E394-R398 WeakPolarHBondContact O-CG 3.44Å; E394-R398 PolarHBondContact O-N 3.32Å; E394-R398 VanDerWaalsContact O-N 3.08Å; E394-R398 IonicContact OE2-CZ 3.32Å; E394-R398 IonicContact OE2-NH2 2.68Å; E394-R398 PolarHBondContact OE2-NH2 2.83Å
395E88.5Confident89.2Confident67 Ų6768.5 Ų68.531%0.31336%0.362SS..Hα-helixtrans-70.8-42.2-178.8-177.9172.8-170.700111.1N392 L393 R398 K399N392-E395 HydrophobicContact CB-CB 4.46Å; N392-E395 PolarHBondContact O-N 3.32Å; N392-E395 VanDerWaalsContact O-N 3.14Å; L393-E395 VanDerWaalsContact C-N 3.3Å; L393-E395 PolarHBondContact O-N 3.16Å; E395-R398 PolarHBondContact O-N 2.91Å; E395-K399 HydrophobicContact CG-CD 3.95Å; E395-K399 HydrophobicContact CG-CG 4.48Å; E395-K399 WeakPolarHBondContact O-CB 3.41Å; E395-K399 WeakPolarHBondContact O-CG 3.46Å; E395-K399 PolarHBondContact O-N 3.24Å; E395-K399 WeakPolarHBondContact OE1-CE 3.37Å; E395-K399 IonicContact OE1-NZ 3.71Å; E395-K399 PolarHBondContact OE1-NZ 2.93Å
396I90.1Very high89Confident0 Ų070.5 Ų70.50%037%0.373CS..Hα-helixtrans-64.3-47.1176.3-57.4158.4000109.4I381 F384 L385 N392 L393 R398 K399 V400 F407 Y440I381-I396 HydrophobicContact CG2-CG2 4.39Å; F384-I396 HydrophobicContact CD1-CG1 4.24Å; F384-I396 HydrophobicContact CD1-CG2 4.15Å; F384-I396 HydrophobicContact CE1-CB 4.26Å; F384-I396 HydrophobicContact CE1-CG1 3.81Å; F384-I396 HydrophobicContact CE1-CG2 4.4Å; L385-I396 HydrophobicContact CD2-CD1 3.81Å; L385-I396 HydrophobicContact CD2-CG1 4Å; N392-I396 WeakPolarHBondContact O-CD1 3.46Å; N392-I396 VanDerWaalsContact O-CG1 3.26Å; N392-I396 WeakPolarHBondContact O-CG1 3.4Å; N392-I396 PolarHBondContact O-N 3.4Å; N392-I396 VanDerWaalsContact O-N 3.09Å; L393-I396 PolarHBondContact O-N 3.3Å; I396-R398 VanDerWaalsContact C-N 3.31Å; I396-R398 PolarHBondContact O-N 3.04Å; I396-K399 PolarHBondContact O-N 3.48Å; I396-V400 HydrophobicContact CG2-CG2 3.63Å; I396-V400 WeakPolarHBondContact O-CB 3.43Å; I396-V400 WeakPolarHBondContact O-CG2 3.29Å; I396-V400 PolarHBondContact O-N 2.97Å; I396-F407 HydrophobicContact CB-CE2 4.24Å; I396-F407 HydrophobicContact CB-CZ 4Å; I396-F407 HydrophobicContact CG2-CE2 3.48Å; I396-F407 VanDerWaalsContact CG2-CE2 3.48Å; I396-F407 HydrophobicContact CG2-CZ 3.75Å; I396-Y440 HydrophobicContact CD1-CD2 3.74Å; I396-Y440 HydrophobicContact CD1-CG 3.93Å
397E89Confident89Confident44 Ų4468 Ų6821%0.20636%0.36CS..Hα-helixtrans-58.4-42.9179.9-169.8172.1-167.500111.7L393 Q404 F407L393-E397 WeakPolarHBondContact O-CB 3.48Å; L393-E397 PolarHBondContact O-N 3.48Å; E397-Q404 VanDerWaalsContact OE1-CG 3.3Å; E397-Q404 WeakPolarHBondContact OE1-CG 3.2Å; E397-F407 HydrophobicContact CB-CD1 4.02Å; E397-F407 HydrophobicContact CB-CE1 3.61Å; E397-F407 HydrophobicContact CB-CZ 4.08Å; E397-F407 HydrophobicContact CG-CD1 3.84Å; E397-F407 HydrophobicContact CG-CE1 3.95Å
398R88Confident88.9Confident174 Ų17468.5 Ų68.566%0.65735%0.351SS*.Hα-helixtrans-70.7-44178.6-70.8177.5-166.115115.6113E394 E395 I396E394-R398 WeakPolarHBondContact O-CB 3.35Å; E394-R398 VanDerWaalsContact O-CG 3.26Å; E394-R398 WeakPolarHBondContact O-CG 3.44Å; E394-R398 PolarHBondContact O-N 3.32Å; E394-R398 VanDerWaalsContact O-N 3.08Å; E394-R398 IonicContact OE2-CZ 3.32Å; E394-R398 IonicContact OE2-NH2 2.68Å; E394-R398 PolarHBondContact OE2-NH2 2.83Å; E395-R398 PolarHBondContact O-N 2.91Å; I396-R398 VanDerWaalsContact C-N 3.31Å; I396-R398 PolarHBondContact O-N 3.04Å
399K88.6Confident89.1Confident113 Ų11373.6 Ų73.649%0.49136%0.359SS..Hα-helixtrans-82.4-28.6-172.6-72-175.6176173.70113.8F384 E395 I396 L401F384-K399 HydrophobicContact CD2-CB 4.19Å; F384-K399 HydrophobicContact CE2-CB 3.59Å; F384-K399 HydrophobicContact CE2-CD 3.47Å; F384-K399 VanDerWaalsContact CE2-CD 3.47Å; F384-K399 HydrophobicContact CE2-CG 4.18Å; F384-K399 HydrophobicContact CZ-CB 3.88Å; F384-K399 HydrophobicContact CZ-CD 3.55Å; F384-K399 HydrophobicContact CZ-CG 4.32Å; E395-K399 HydrophobicContact CG-CD 3.95Å; E395-K399 HydrophobicContact CG-CG 4.48Å; E395-K399 WeakPolarHBondContact O-CB 3.41Å; E395-K399 WeakPolarHBondContact O-CG 3.46Å; E395-K399 PolarHBondContact O-N 3.24Å; E395-K399 WeakPolarHBondContact OE1-CE 3.37Å; E395-K399 IonicContact OE1-NZ 3.71Å; E395-K399 PolarHBondContact OE1-NZ 2.93Å; I396-K399 PolarHBondContact O-N 3.48Å; K399-L401 VanDerWaalsContact C-N 3.28Å; K399-L401 PolarHBondContact O-N 3.48Å
400V86.8Confident89.3Confident3 Ų373 Ų732%0.01835%0.351CS..Hα-helixtrans-78.4-12.8-176.5179.80000112.2R380 I381 F384 I396 L402R380-V400 HydrophobicContact CB-CG1 4.28Å; R380-V400 VanDerWaalsContact CD-O 3.31Å; R380-V400 WeakPolarHBondContact CD-O 3.47Å; R380-V400 HydrophobicContact CG-CG1 3.97Å; R380-V400 PolarHBondContact NE-O 3.24Å; R380-V400 PolarHBondContact NH1-O 3.29Å; R380-V400 VanDerWaalsContact NH1-O 3.09Å; R380-V400 PolarHBondContact NH2-O 2.8Å; I381-V400 HydrophobicContact CG1-CG1 3.85Å; F384-V400 HydrophobicContact CB-CG2 3.77Å; F384-V400 HydrophobicContact CD1-CG2 3.77Å; F384-V400 HydrophobicContact CD2-CG2 4.4Å; F384-V400 HydrophobicContact CG-CG2 3.68Å; I396-V400 HydrophobicContact CG2-CG2 3.63Å; I396-V400 WeakPolarHBondContact O-CB 3.43Å; I396-V400 WeakPolarHBondContact O-CG2 3.29Å; I396-V400 PolarHBondContact O-N 2.97Å; V400-L402 VanDerWaalsContact C-N 3.26Å; V400-L402 HydrophobicContact CG1-CB 4.45Å; V400-L402 HydrophobicContact CG1-CD1 3.45Å; V400-L402 VanDerWaalsContact CG1-CD1 3.45Å; V400-L402 HydrophobicContact CG1-CG 3.73Å; V400-L402 PolarHBondContact O-N 3.45Å
401L84.9Confident89.5Confident128 Ų12869 Ų6967%0.6733%0.325SS*.THydrogen-bonded Turntrans4748175.7-56.1172.3000112.5R380 K399R380-L401 PolarHBondContact NH1-O 3.04Å; K399-L401 VanDerWaalsContact C-N 3.28Å; K399-L401 PolarHBondContact O-N 3.48Å
402L87.7Confident89.6Confident23 Ų2372.5 Ų72.512%0.1235%0.347CS..  trans-107.3155174.1-77.1172.7000110.4N377 I381 V400 Q404N377-L402 HydrophobicContact CB-CD1 4.13Å; N377-L402 HydrophobicContact CB-CD2 4.03Å; N377-L402 WeakPolarHBondContact OD1-CD2 3.44Å; I381-L402 HydrophobicContact CD1-CD1 4.08Å; I381-L402 HydrophobicContact CG1-CD1 3.9Å; V400-L402 VanDerWaalsContact C-N 3.26Å; V400-L402 HydrophobicContact CG1-CB 4.45Å; V400-L402 HydrophobicContact CG1-CD1 3.45Å; V400-L402 VanDerWaalsContact CG1-CD1 3.45Å; V400-L402 HydrophobicContact CG1-CG 3.73Å; V400-L402 PolarHBondContact O-N 3.45Å; L402-Q404 PolarHBondContact O-N 3.42Å
403P89.5Confident89.8Confident70 Ų7076.1 Ų76.146%0.45536%0.357SS..  trans-55.3135.5167.9-22.633.8000110.8S405 D406 F407P403-S405 PolarHBondContact O-N 3.41Å; P403-D406 HydrophobicContact CB-CB 4.41Å; P403-D406 PolarHBondContact O-N 3.32Å; P403-D406 VanDerWaalsContact O-N 3.08Å; P403-F407 PolarHBondContact O-N 3.2Å
404Q86.7Confident90.1Very high117 Ų11772.5 Ų72.555%0.54734%0.338SS..Hα-helixtrans-59.8-33.9-177.7-63.5-173.5-12.900112.5E397 L402 D406 R408E397-Q404 VanDerWaalsContact OE1-CG 3.3Å; E397-Q404 WeakPolarHBondContact OE1-CG 3.2Å; L402-Q404 PolarHBondContact O-N 3.42Å; Q404-D406 VanDerWaalsContact C-N 3.34Å; Q404-D406 PolarHBondContact O-N 3.44Å; Q404-R408 WeakPolarHBondContact O-CB 3.34Å; Q404-R408 VanDerWaalsContact O-CG 3.27Å; Q404-R408 WeakPolarHBondContact O-CG 3.43Å; Q404-R408 PolarHBondContact O-N 3.46Å
405S89.4Confident90.4Very high82 Ų8269.2 Ų69.257%0.57333%0.325SS*.Hα-helixtrans-59.4-45.1175.354.90000112P403 R409P403-S405 PolarHBondContact O-N 3.41Å; S405-R409 WeakPolarHBondContact O-CB 3.31Å; S405-R409 PolarHBondContact O-N 3.26Å
406D90.7Very high90.7Very high45 Ų4570.2 Ų70.224%0.24134%0.339CS..Hα-helixtrans-74.8-42.2-177.3-64.9-13.3000110.2P403 Q404 R408 R409 I410P403-D406 HydrophobicContact CB-CB 4.41Å; P403-D406 PolarHBondContact O-N 3.32Å; P403-D406 VanDerWaalsContact O-N 3.08Å; Q404-D406 VanDerWaalsContact C-N 3.34Å; Q404-D406 PolarHBondContact O-N 3.44Å; D406-R408 PolarHBondContact O-N 3.49Å; D406-R409 PolarHBondContact O-N 2.83Å; D406-I410 HydrophobicContact CB-CD1 4.28Å; D406-I410 WeakPolarHBondContact O-CB 3.46Å; D406-I410 WeakPolarHBondContact O-CG1 3.38Å; D406-I410 PolarHBondContact O-N 3.47Å
407F91.6Very high90.8Very high4 Ų474.6 Ų74.62%0.01836%0.361CS..Hα-helixtrans-57.9-50.2176.6179.9-109.4000111.9I381 L393 I396 E397 P403 R409 I410 L411I381-F407 HydrophobicContact CD1-CD2 3.87Å; I381-F407 HydrophobicContact CD1-CE2 4.19Å; I381-F407 HydrophobicContact CG1-CD2 4.32Å; I381-F407 HydrophobicContact CG1-CE2 4.41Å; L393-F407 HydrophobicContact CD1-CE1 3.63Å; L393-F407 HydrophobicContact CD1-CZ 3.84Å; L393-F407 HydrophobicContact CG-CE1 4.45Å; I396-F407 HydrophobicContact CB-CE2 4.24Å; I396-F407 HydrophobicContact CB-CZ 4Å; I396-F407 HydrophobicContact CG2-CE2 3.48Å; I396-F407 VanDerWaalsContact CG2-CE2 3.48Å; I396-F407 HydrophobicContact CG2-CZ 3.75Å; E397-F407 HydrophobicContact CB-CD1 4.02Å; E397-F407 HydrophobicContact CB-CE1 3.61Å; E397-F407 HydrophobicContact CB-CZ 4.08Å; E397-F407 HydrophobicContact CG-CD1 3.84Å; E397-F407 HydrophobicContact CG-CE1 3.95Å; P403-F407 PolarHBondContact O-N 3.2Å; F407-R409 PolarHBondContact O-N 2.93Å; F407-I410 PolarHBondContact O-N 3.47Å; F407-L411 HydrophobicContact CE1-CD2 4.17Å; F407-L411 HydrophobicContact CE2-CB 4.25Å; F407-L411 HydrophobicContact CE2-CD2 4.05Å; F407-L411 HydrophobicContact CZ-CB 4.5Å; F407-L411 HydrophobicContact CZ-CD2 3.59Å; F407-L411 WeakPolarHBondContact O-CB 3.39Å; F407-L411 PolarHBondContact O-N 2.84Å
408R90.7Very high91Very high166 Ų16673.2 Ų73.263%0.62636%0.358SS*.Hα-helixtrans-66.9-23.1178.4-69.4-179.6-172.6-165.33.1113.3Q404 D406 P412Q404-R408 WeakPolarHBondContact O-CB 3.34Å; Q404-R408 VanDerWaalsContact O-CG 3.27Å; Q404-R408 WeakPolarHBondContact O-CG 3.43Å; Q404-R408 PolarHBondContact O-N 3.46Å; D406-R408 PolarHBondContact O-N 3.49Å; R408-P412 WeakPolarHBondContact O-CD 3.42Å; R408-P412 VanDerWaalsContact O-CG 3.29Å; R408-P412 WeakPolarHBondContact O-CG 3.18Å
409R92.3Very high91.3Very high158 Ų15865 Ų6560%0.59633%0.327SS*.Hα-helixtrans-81.2-41.8174-173.6-179.1116.9-170.2-0.1112.3S405 D406 F407S405-R409 WeakPolarHBondContact O-CB 3.31Å; S405-R409 PolarHBondContact O-N 3.26Å; D406-R409 PolarHBondContact O-N 2.83Å; F407-R409 PolarHBondContact O-N 2.93Å
410I93.6Very high91.6Very high11 Ų1159.7 Ų59.76%0.05630%0.304CS..Hα-helixtrans-85.2-45.2-168.5-66.8168.5000111.7F374 N377 I381 D406 F407 R413 M414F374-I410 HydrophobicContact CB-CG2 4.34Å; F374-I410 HydrophobicContact CD1-CG2 4.28Å; N377-I410 HydrophobicContact CB-CD1 3.4Å; N377-I410 VanDerWaalsContact CB-CD1 3.4Å; I381-I410 HydrophobicContact CD1-CB 4.33Å; I381-I410 HydrophobicContact CD1-CG2 3.93Å; D406-I410 HydrophobicContact CB-CD1 4.28Å; D406-I410 WeakPolarHBondContact O-CB 3.46Å; D406-I410 WeakPolarHBondContact O-CG1 3.38Å; D406-I410 PolarHBondContact O-N 3.47Å; F407-I410 PolarHBondContact O-N 3.47Å; I410-R413 WeakPolarHBondContact O-CB 3.23Å; I410-R413 PolarHBondContact O-N 2.94Å; I410-R413 VanDerWaalsContact O-N 3.11Å; I410-M414 HydrophobicContact CG2-CG 4.06Å; I410-M414 HydrophobicContact CG2-SD 3.75Å; I410-M414 WeakPolarHBondContact O-CG 3.46Å; I410-M414 PolarHBondContact O-N 3.33Å
411L93.1Very high91.9Very high4 Ų460.7 Ų60.72%0.02131%0.31CS..Hα-helixtrans-58.1-50.2-175.3176.669.7000112.3I381 L393 F407 R413 M414 V415 I420 Y440I381-L411 HydrophobicContact CG2-CD1 4.14Å; L393-L411 HydrophobicContact CD1-CD2 3.37Å; F407-L411 HydrophobicContact CE1-CD2 4.17Å; F407-L411 HydrophobicContact CE2-CB 4.25Å; F407-L411 HydrophobicContact CE2-CD2 4.05Å; F407-L411 HydrophobicContact CZ-CB 4.5Å; F407-L411 HydrophobicContact CZ-CD2 3.59Å; F407-L411 WeakPolarHBondContact O-CB 3.39Å; F407-L411 PolarHBondContact O-N 2.84Å; L411-R413 VanDerWaalsContact C-N 3.25Å; L411-R413 PolarHBondContact O-N 3.28Å; L411-M414 PolarHBondContact O-N 2.89Å; L411-V415 WeakPolarHBondContact O-CG2 3.31Å; L411-V415 PolarHBondContact O-N 2.87Å; L411-I420 HydrophobicContact CD1-CD1 3.67Å; L411-Y440 HydrophobicContact CD1-CD1 3.96Å; L411-Y440 HydrophobicContact CD1-CE1 4.23Å; L411-Y440 HydrophobicContact CD2-CD1 4.24Å; L411-Y440 HydrophobicContact CD2-CE1 3.86Å; L411-Y440 HydrophobicContact CD2-CE2 4.43Å; L411-Y440 HydrophobicContact CG-CD1 4.32Å; L411-Y440 HydrophobicContact CG-CE1 4.08Å
412P92.8Very high92.2Very high75 Ų7557.5 Ų57.549%0.48730%0.296SS..Hα-helixtrans-62-34.1177.8-23.335.8000112.6R408 V415 S416R408-P412 WeakPolarHBondContact O-CD 3.42Å; R408-P412 VanDerWaalsContact O-CG 3.29Å; R408-P412 WeakPolarHBondContact O-CG 3.18Å; P412-V415 PolarHBondContact O-N 3.35Å; P412-S416 WeakPolarHBondContact O-CB 3.35Å; P412-S416 PolarHBondContact O-N 2.93Å; P412-S416 PolarHBondContact O-OG 2.96Å
413R95.1Very high92.3Very high132 Ų13259.5 Ų59.550%0.49831%0.31SS..Hα-helixtrans-67.7-40.7178.1-160.9-174.5172.1-159.8-2.4111.5F374 I410 L411 S416 M417F374-R413 HydrophobicContact CE1-CB 4.01Å; F374-R413 HydrophobicContact CE1-CG 3.83Å; I410-R413 WeakPolarHBondContact O-CB 3.23Å; I410-R413 PolarHBondContact O-N 2.94Å; I410-R413 VanDerWaalsContact O-N 3.11Å; L411-R413 VanDerWaalsContact C-N 3.25Å; L411-R413 PolarHBondContact O-N 3.28Å; R413-S416 WeakPolarHBondContact CA-OG 3.37Å; R413-S416 PolarHBondContact O-N 3.19Å; R413-S416 PolarHBondContact O-OG 3.21Å; R413-M417 WeakPolarHBondContact O-CG 3.5Å; R413-M417 PolarHBondContact O-N 3.02Å; R413-M417 VanDerWaalsContact O-N 3.09Å
414M95Very high92.3Very high0 Ų062.1 Ų62.10%032%0.316CS..Hα-helixtrans-65.2-38.3174.7-70.7179.773.300112.4I370 F374 I381 F382 I410 L411 G418 F419 I420I370-M414 HydrophobicContact CD1-CE 4.41Å; I370-M414 HydrophobicContact CG2-CE 4.19Å; F374-M414 HydrophobicContact CD1-CG 3.68Å; F374-M414 HydrophobicContact CD2-CG 4.06Å; F374-M414 HydrophobicContact CE1-CB 4.41Å; F374-M414 HydrophobicContact CE1-CG 3.61Å; F374-M414 HydrophobicContact CE2-CG 4.01Å; F374-M414 HydrophobicContact CG-CG 3.9Å; F374-M414 HydrophobicContact CZ-CB 4.39Å; F374-M414 HydrophobicContact CZ-CG 3.79Å; I381-M414 HydrophobicContact CB-SD 4.36Å; I381-M414 HydrophobicContact CG2-SD 4.41Å; F382-M414 HydrophobicContact CB-CE 3.99Å; F382-M414 HydrophobicContact CD2-CE 4.43Å; I410-M414 HydrophobicContact CG2-CG 4.06Å; I410-M414 HydrophobicContact CG2-SD 3.75Å; I410-M414 WeakPolarHBondContact O-CG 3.46Å; I410-M414 PolarHBondContact O-N 3.33Å; L411-M414 PolarHBondContact O-N 2.89Å; M414-G418 PolarHBondContact O-N 2.88Å; M414-F419 PolarHBondContact O-N 3.28Å; M414-I420 HydrophobicContact CB-CD1 3.7Å; M414-I420 HydrophobicContact CB-CG1 4.19Å; M414-I420 HydrophobicContact CE-CD1 3.8Å; M414-I420 HydrophobicContact CE-CG1 4.24Å; M414-I420 HydrophobicContact SD-CD1 4.07Å
415V94.5Very high92.2Very high37 Ų3760 Ų6022%0.22431%0.308CS..Hα-helixtrans-65-47.5172.91740000110.6L411 P412 M417 G418 I420 T422 Y440L411-V415 WeakPolarHBondContact O-CG2 3.31Å; L411-V415 PolarHBondContact O-N 2.87Å; P412-V415 PolarHBondContact O-N 3.35Å; V415-M417 PolarHBondContact O-N 3.49Å; V415-G418 PolarHBondContact O-N 3.43Å; V415-I420 HydrophobicContact CG2-CB 3.9Å; V415-I420 HydrophobicContact CG2-CG2 3.93Å; V415-T422 HydrophobicContact CG1-CG2 3.7Å; V415-T422 HydrophobicContact CG2-CG2 3.97Å; V415-Y440 HydrophobicContact CG2-CD1 3.93Å; V415-Y440 HydrophobicContact CG2-CE1 3.92Å
416S93.8Very high91.9Very high89 Ų8957.5 Ų57.562%0.62229%0.29SS*.Hα-helixtrans-61.5-30.4-179.272.70000113.6P412 R413 G418P412-S416 WeakPolarHBondContact O-CB 3.35Å; P412-S416 PolarHBondContact O-N 2.93Å; P412-S416 PolarHBondContact O-OG 2.96Å; R413-S416 WeakPolarHBondContact CA-OG 3.37Å; R413-S416 PolarHBondContact O-N 3.19Å; R413-S416 PolarHBondContact O-OG 3.21Å; S416-G418 VanDerWaalsContact C-N 3.33Å
417M93Very high91.3Very high92 Ų9264 Ų6445%0.45331%0.311SS..THydrogen-bonded Turntrans-83.6-9.7175.8-69.1-9474.900112.8F374 R413 V415 F419 L450F374-M417 HydrophobicContact CZ-CB 4.34Å; F374-M417 HydrophobicContact CZ-CG 4.12Å; R413-M417 WeakPolarHBondContact O-CG 3.5Å; R413-M417 PolarHBondContact O-N 3.02Å; R413-M417 VanDerWaalsContact O-N 3.09Å; V415-M417 PolarHBondContact O-N 3.49Å; M417-F419 HydrophobicContact CB-CD2 3.8Å; M417-F419 HydrophobicContact CB-CE2 3.99Å; M417-L450 WeakPolarHBondContact O-CD1 3.19Å; M417-L450 WeakPolarHBondContact O-CD2 3.03Å
418G93.1Very high90.7Very high14 Ų1467 Ų6714%0.14433%0.33CS..THydrogen-bonded Turntrans85.713178.200000115.5M414 V415 S416 I420M414-G418 PolarHBondContact O-N 2.88Å; V415-G418 PolarHBondContact O-N 3.43Å; S416-G418 VanDerWaalsContact C-N 3.33Å; G418-I420 VanDerWaalsContact C-N 3.33Å
419F94.4Very high90.1Very high1 Ų169.3 Ų69.30%0.00434%0.344CS..SBendtrans-74.8-26.3173.7-72.1-75.3000112.7I369 I370 L373 F374 M414 M417 V447 L450 L454I369-F419 HydrophobicContact CG2-CE1 4.4Å; I369-F419 HydrophobicContact CG2-CZ 4.06Å; I370-F419 HydrophobicContact CD1-CD1 3.97Å; I370-F419 HydrophobicContact CD1-CE1 4.48Å; I370-F419 HydrophobicContact CD1-CG 4.4Å; I370-F419 HydrophobicContact CG1-CD1 3.97Å; I370-F419 HydrophobicContact CG1-CE1 4.06Å; I370-F419 HydrophobicContact CG1-CG 4.39Å; L373-F419 HydrophobicContact CD1-CE2 4.02Å; L373-F419 HydrophobicContact CD1-CZ 4Å; F374-F419 AromaticContact CE2-CD2 3.66Å; F374-F419 HydrophobicContact CE2-CD2 3.66Å; F374-F419 AromaticContact CE2-CE2 3.69Å; F374-F419 HydrophobicContact CE2-CE2 3.69Å; F374-F419 HydrophobicContact CZ-CD2 4.04Å; F374-F419 HydrophobicContact CZ-CE2 4.22Å; M414-F419 PolarHBondContact O-N 3.28Å; M417-F419 HydrophobicContact CB-CD2 3.8Å; M417-F419 HydrophobicContact CB-CE2 3.99Å; F419-V447 HydrophobicContact CD1-CG1 4.2Å; F419-L450 HydrophobicContact CD1-CD2 4.03Å; F419-L450 HydrophobicContact CD2-CD2 4.19Å; F419-L450 HydrophobicContact CE1-CD2 3.96Å; F419-L450 HydrophobicContact CE2-CD2 4.13Å; F419-L450 HydrophobicContact CG-CD2 4.14Å; F419-L450 HydrophobicContact CZ-CD2 4.01Å; F419-L454 HydrophobicContact CZ-CD1 4.16Å
420I94.5Very high89.4Confident3 Ų368.6 Ų68.62%0.01535%0.348CS..SBendtrans-123.5131.4179-61.3172.8000108I381 L385 L411 M414 V415 G418 Y440I381-I420 HydrophobicContact CG2-CD1 4.09Å; L385-I420 HydrophobicContact CD1-CD1 3.68Å; L385-I420 HydrophobicContact CD1-CG1 3.97Å; L385-I420 HydrophobicContact CD1-CG2 4.05Å; L411-I420 HydrophobicContact CD1-CD1 3.67Å; M414-I420 HydrophobicContact CB-CD1 3.7Å; M414-I420 HydrophobicContact CB-CG1 4.19Å; M414-I420 HydrophobicContact CE-CD1 3.8Å; M414-I420 HydrophobicContact CE-CG1 4.24Å; M414-I420 HydrophobicContact SD-CD1 4.07Å; V415-I420 HydrophobicContact CG2-CB 3.9Å; V415-I420 HydrophobicContact CG2-CG2 3.93Å; G418-I420 VanDerWaalsContact C-N 3.33Å; I420-Y440 HydrophobicContact CG2-CD1 3.93Å; I420-Y440 HydrophobicContact CG2-CG 4.41Å
421T92.9Very high88.5Confident23 Ų2375.7 Ų75.714%0.14138%0.375CS..EExtended strand (participates in β ladder)trans-96.4130.5175.846.80000110.5S441 N443T421-S441 PolarHBondContact N-O 3.27Å; T421-S441 PolarHBondContact O-N 2.94Å; T421-S441 PolarHBondContact O-OG 3.4Å; T421-S441 PolarHBondContact OG1-O 3.04Å; T421-S441 PolarHBondContact OG1-OG 3.49Å; T421-N443 HydrophobicContact CG2-CB 3.9Å
422T92.2Very high88Confident62 Ų6278.3 Ų78.338%0.3839%0.391SS..EExtended strand (participates in β ladder)trans-99.6125.7175.248.90000109.9V415 L439 Y440V415-T422 HydrophobicContact CG1-CG2 3.7Å; V415-T422 HydrophobicContact CG2-CG2 3.97Å; T422-L439 WeakPolarHBondContact CA-O 3.21Å; T422-Y440 HydrophobicContact CG2-CD1 3.71Å; T422-Y440 HydrophobicContact CG2-CE1 3.63Å
423T90.4Very high87.1Confident65 Ų6579.1 Ų79.140%0.39940%0.404SS..EExtended strand (participates in β ladder)trans-114.3117.8170.456.10000108.7L439T423-L439 PolarHBondContact N-O 2.63Å; T423-L439 PolarHBondContact O-N 2.95Å; T423-L439 WeakPolarHBondContact OG1-CB 3.5Å
424E88.3Confident86.2Confident125 Ų12580.4 Ų80.458%0.58442%0.421SS*.EExtended strand (participates in β ladder)trans-81.3131.1177.9-65.4175.7-171.500110I436E424-I436 HydrophobicContact CB-CG2 4.15Å; E424-I436 HydrophobicContact CG-CG2 4.47Å
425L84.4Confident85.4Confident73 Ų7381.6 Ų81.638%0.38243%0.428SS..EExtended strand (participates in β ladder)trans-131.4145.9176.7-64.9179000109.1I436 F437 L439L425-I436 CarbonylContact O-C 3.58Å; L425-I436 WeakPolarHBondContact O-CA 3.43Å; L425-F437 HydrophobicContact CB-CD1 4.29Å; L425-F437 HydrophobicContact CB-CE1 3.72Å; L425-F437 HydrophobicContact CB-CE2 4.01Å; L425-F437 HydrophobicContact CB-CZ 3.56Å; L425-F437 HydrophobicContact CD1-CE2 4.05Å; L425-F437 HydrophobicContact CD1-CZ 3.91Å; L425-F437 HydrophobicContact CG-CZ 4.39Å; L425-F437 PolarHBondContact N-O 2.97Å; L425-F437 WeakPolarHBondContact O-CD1 3.3Å; L425-F437 PolarHBondContact O-N 3.37Å; L425-L439 HydrophobicContact CD1-CD1 3.37Å; L425-L439 HydrophobicContact CD1-CG 4.08Å; L425-L439 HydrophobicContact CG-CD1 4.41Å
426S83.4Confident84.9Confident28 Ų2882.5 Ų82.520%0.19643%0.431CS..EExtended strand (participates in β ladder)trans-101.9136.4173.6-176.10000111T428 E430 T435S426-T428 VanDerWaalsContact C-N 3.28Å; S426-T428 VanDerWaalsContact CB-O 3.32Å; S426-T428 WeakPolarHBondContact CB-O 3.42Å; S426-T428 PolarHBondContact OG-N 3.1Å; S426-T428 PolarHBondContact OG-O 3.38Å; S426-E430 PolarHBondContact OG-O 3.24Å; S426-T435 WeakPolarHBondContact CA-O 3.28Å; S426-T435 PolarHBondContact OG-OG1 3.34Å
427R78.8Confident84.4Confident182 Ų18280.8 Ų80.869%0.68741%0.413SS*.SBendtrans-71.5-25.2172.5-63.7-175.8-179.5177.91.3112.3T435 F437R427-T435 PolarHBondContact N-O 3.48Å; R427-F437 HydrophobicContact CG-CD1 3.55Å; R427-F437 HydrophobicContact CG-CE1 3.62Å
428T79.3Confident84.2Confident67 Ų6778.4 Ų78.441%0.41141%0.405SS..SBendtrans-121.7164.4-177.551.60000110.9S426 E430 T435S426-T428 VanDerWaalsContact C-N 3.28Å; S426-T428 VanDerWaalsContact CB-O 3.32Å; S426-T428 WeakPolarHBondContact CB-O 3.42Å; S426-T428 PolarHBondContact OG-N 3.1Å; S426-T428 PolarHBondContact OG-O 3.38Å; T428-E430 PolarHBondContact O-N 3.21Å; T428-E430 PolarHBondContact OG1-O 3.17Å; T428-T435 HydrophobicContact CG2-CG2 4.09Å; T428-T435 WeakPolarHBondContact OG1-CB 3.48Å; T428-T435 WeakPolarHBondContact OG1-CG2 3.31Å; T428-T435 PolarHBondContact OG1-OG1 3.34Å
429K77.7Confident84.1Confident214 Ų21479.2 Ų79.293%0.9341%0.406SS*.SBendtrans-62.4-30.3172.6-66.7-176.7179.5179.50112.3Y431K429-Y431 PolarHBondContact O-N 3.28Å
430E76.9Confident84.1Confident143 Ų14380.9 Ų80.967%0.66841%0.412SS*.SBendtrans-77.5118.5174-63.7176.6-171.400109.5S426 T428 T432 T435S426-E430 PolarHBondContact OG-O 3.24Å; T428-E430 PolarHBondContact O-N 3.21Å; T428-E430 PolarHBondContact OG1-O 3.17Å; E430-T432 HydrophobicContact CB-CG2 4.3Å; E430-T432 PolarHBondContact O-N 3.45Å; E430-T435 PolarHBondContact O-OG1 3.14Å
431Y76Confident84Confident161 Ų16181.7 Ų81.763%0.63142%0.418SS*.  trans-81.290.4171.2-92.5-94.8000108.8K429 I436K429-Y431 PolarHBondContact O-N 3.28Å; Y431-I436 HydrophobicContact CD1-CD1 3.94Å; Y431-I436 HydrophobicContact CD1-CG1 3.9Å; Y431-I436 HydrophobicContact CE1-CG1 4.5Å
432T80.7Confident84Confident58 Ų5882 Ų8236%0.35642%0.418SS..  trans-120.4158.7174.364.40000109.5E430 D434 T435 I436E430-T432 HydrophobicContact CB-CG2 4.3Å; E430-T432 PolarHBondContact O-N 3.45Å; T432-D434 PolarHBondContact O-N 2.97Å; T432-D434 VanDerWaalsContact O-N 3.15Å; T432-T435 PolarHBondContact N-OG1 3.12Å; T432-T435 PolarHBondContact O-N 3.17Å; T432-T435 PolarHBondContact O-OG1 3.27Å; T432-T435 WeakPolarHBondContact OG1-CG2 3.45Å; T432-T435 PolarHBondContact OG1-OG1 3.21Å; T432-I436 WeakPolarHBondContact O-CD1 3.39Å; T432-I436 VanDerWaalsContact O-CG1 3.27Å; T432-I436 WeakPolarHBondContact O-CG1 3.28Å; T432-I436 PolarHBondContact O-N 2.68Å; T432-I436 VanDerWaalsContact O-N 3.14Å
433A75Confident84.1Confident92 Ų9282.3 Ų82.376%0.7642%0.418SS*.THydrogen-bonded Turntrans-57.4-31.5-178.200000113.1T435A433-T435 VanDerWaalsContact C-N 3.34Å
434D75.4Confident84.3Confident160 Ų16080.3 Ų80.386%0.85641%0.405SS*.THydrogen-bonded Turntrans-78.8-17.8179.5-62.7-29.9000113.2T432T432-D434 PolarHBondContact O-N 2.97Å; T432-D434 VanDerWaalsContact O-N 3.15Å
435T79.4Confident84.6Confident24 Ų2477.3 Ų77.315%0.14739%0.392CS..THydrogen-bonded Turntrans-102.9-17.8-175.260.40000113.2S426 R427 T428 E430 T432 A433S426-T435 WeakPolarHBondContact CA-O 3.28Å; S426-T435 PolarHBondContact OG-OG1 3.34Å; R427-T435 PolarHBondContact N-O 3.48Å; T428-T435 HydrophobicContact CG2-CG2 4.09Å; T428-T435 WeakPolarHBondContact OG1-CB 3.48Å; T428-T435 WeakPolarHBondContact OG1-CG2 3.31Å; T428-T435 PolarHBondContact OG1-OG1 3.34Å; E430-T435 PolarHBondContact O-OG1 3.14Å; T432-T435 PolarHBondContact N-OG1 3.12Å; T432-T435 PolarHBondContact O-N 3.17Å; T432-T435 PolarHBondContact O-OG1 3.27Å; T432-T435 WeakPolarHBondContact OG1-CG2 3.45Å; T432-T435 PolarHBondContact OG1-OG1 3.21Å; A433-T435 VanDerWaalsContact C-N 3.34Å
436I83.4Confident85.1Confident57 Ų5777.9 Ų77.929%0.29239%0.393SS..EExtended strand (participates in β ladder)trans-81.2132.1177.8-62.3160.5000109.8E424 L425 Y431 T432E424-I436 HydrophobicContact CB-CG2 4.15Å; E424-I436 HydrophobicContact CG-CG2 4.47Å; L425-I436 CarbonylContact O-C 3.58Å; L425-I436 WeakPolarHBondContact O-CA 3.43Å; Y431-I436 HydrophobicContact CD1-CD1 3.94Å; Y431-I436 HydrophobicContact CD1-CG1 3.9Å; Y431-I436 HydrophobicContact CE1-CG1 4.5Å; T432-I436 WeakPolarHBondContact O-CD1 3.39Å; T432-I436 VanDerWaalsContact O-CG1 3.27Å; T432-I436 WeakPolarHBondContact O-CG1 3.28Å; T432-I436 PolarHBondContact O-N 2.68Å; T432-I436 VanDerWaalsContact O-N 3.14Å
437F84.3Confident85.7Confident53 Ų5376.6 Ų76.623%0.23238%0.384CS..EExtended strand (participates in β ladder)trans-128.8149.1169.867.9-81.2000110.4N392 L425 R427 L439N392-F437 WeakPolarHBondContact OD1-CD2 3.22Å; L425-F437 HydrophobicContact CB-CD1 4.29Å; L425-F437 HydrophobicContact CB-CE1 3.72Å; L425-F437 HydrophobicContact CB-CE2 4.01Å; L425-F437 HydrophobicContact CB-CZ 3.56Å; L425-F437 HydrophobicContact CD1-CE2 4.05Å; L425-F437 HydrophobicContact CD1-CZ 3.91Å; L425-F437 HydrophobicContact CG-CZ 4.39Å; L425-F437 PolarHBondContact N-O 2.97Å; L425-F437 WeakPolarHBondContact O-CD1 3.3Å; L425-F437 PolarHBondContact O-N 3.37Å; R427-F437 HydrophobicContact CG-CD1 3.55Å; R427-F437 HydrophobicContact CG-CE1 3.62Å; F437-L439 HydrophobicContact CD2-CG 4.45Å; F437-L439 HydrophobicContact CE2-CD2 4.19Å; F437-L439 HydrophobicContact CE2-CG 4.04Å
438C87.7Confident86.5Confident41 Ų4167.9 Ų67.928%0.27735%0.351SS..EExtended strand (participates in β ladder)trans-102127.7179.9-57.20000110.7Y440C438-Y440 HydrophobicContact CB-CE2 4.12Å
439L91.8Very high87.2Confident32 Ų3272.9 Ų72.917%0.16836%0.362CS..EExtended strand (participates in β ladder)trans-91.6130.6164.1-69.6175.8000109.7N392 T422 T423 L425 F437N392-L439 WeakPolarHBondContact OD1-CD2 3.38Å; T422-L439 WeakPolarHBondContact CA-O 3.21Å; T423-L439 PolarHBondContact N-O 2.63Å; T423-L439 PolarHBondContact O-N 2.95Å; T423-L439 WeakPolarHBondContact OG1-CB 3.5Å; L425-L439 HydrophobicContact CD1-CD1 3.37Å; L425-L439 HydrophobicContact CD1-CG 4.08Å; L425-L439 HydrophobicContact CG-CD1 4.41Å; F437-L439 HydrophobicContact CD2-CG 4.45Å; F437-L439 HydrophobicContact CE2-CD2 4.19Å; F437-L439 HydrophobicContact CE2-CG 4.04Å
440Y93Very high88Confident35 Ų3564 Ų6414%0.13733%0.325CS..EExtended strand (participates in β ladder)trans-99125.7174.4-59.4-96.4000108.3L385 P390 S391 L393 I396 L411 V415 I420 T422 C438L385-Y440 WeakPolarHBondContact CD2-O 3.38Å; P390-Y440 WeakPolarHBondContact CA-O 3.23Å; S391-Y440 PolarHBondContact N-O 2.99Å; S391-Y440 PolarHBondContact O-N 3.48Å; L393-Y440 HydrophobicContact CB-CE2 3.95Å; L393-Y440 HydrophobicContact CD1-CE2 4.15Å; I396-Y440 HydrophobicContact CD1-CD2 3.74Å; I396-Y440 HydrophobicContact CD1-CG 3.93Å; L411-Y440 HydrophobicContact CD1-CD1 3.96Å; L411-Y440 HydrophobicContact CD1-CE1 4.23Å; L411-Y440 HydrophobicContact CD2-CD1 4.24Å; L411-Y440 HydrophobicContact CD2-CE1 3.86Å; L411-Y440 HydrophobicContact CD2-CE2 4.43Å; L411-Y440 HydrophobicContact CG-CD1 4.32Å; L411-Y440 HydrophobicContact CG-CE1 4.08Å; V415-Y440 HydrophobicContact CG2-CD1 3.93Å; V415-Y440 HydrophobicContact CG2-CE1 3.92Å; I420-Y440 HydrophobicContact CG2-CD1 3.93Å; I420-Y440 HydrophobicContact CG2-CG 4.41Å; T422-Y440 HydrophobicContact CG2-CD1 3.71Å; T422-Y440 HydrophobicContact CG2-CE1 3.63Å; C438-Y440 HydrophobicContact CB-CE2 4.12Å
441S92.9Very high88.8Confident21 Ų2157.4 Ų57.415%0.14729%0.294CS..EExtended strand (participates in β ladder)trans-136.8162.6-179.455.60000110.3T421T421-S441 PolarHBondContact N-O 3.27Å; T421-S441 PolarHBondContact O-N 2.94Å; T421-S441 PolarHBondContact O-OG 3.4Å; T421-S441 PolarHBondContact OG1-O 3.04Å; T421-S441 PolarHBondContact OG1-OG 3.49Å
442I94Very high89.7Confident28 Ų2850.7 Ų50.714%0.14427%0.269CS..  trans-109.2113.1172.8-65.2165.5000108.2F382 L385 L386 L444 V447F382-I442 HydrophobicContact CD2-CD1 3.41Å; F382-I442 VanDerWaalsContact CD2-CD1 3.41Å; F382-I442 HydrophobicContact CD2-CG1 4.11Å; F382-I442 HydrophobicContact CE2-CD1 3.49Å; F382-I442 VanDerWaalsContact CE2-CD1 3.49Å; F382-I442 HydrophobicContact CE2-CG1 4Å; F382-I442 HydrophobicContact CE2-CG2 3.79Å; F382-I442 HydrophobicContact CG-CD1 3.97Å; F382-I442 HydrophobicContact CZ-CD1 4.08Å; F382-I442 HydrophobicContact CZ-CG2 4.14Å; F382-I442 WeakPolarHBondContact O-CD1 3.47Å; L385-I442 HydrophobicContact CB-CD1 3.47Å; L385-I442 VanDerWaalsContact CB-CD1 3.47Å; L385-I442 HydrophobicContact CB-CG1 3.88Å; L385-I442 HydrophobicContact CD1-CG1 4.4Å; L386-I442 HydrophobicContact CB-CD1 4.14Å; I442-L444 HydrophobicContact CG2-CD2 4.01Å; I442-V447 HydrophobicContact CG2-CG2 4.25Å
443N93.8Very high90.3Very high69 Ų6952.4 Ų52.437%0.36927%0.273SS..  trans-92.2100.8168.4-175.4-17.9000110.1T421 L445 Q446 V447T421-N443 HydrophobicContact CG2-CB 3.9Å; N443-L445 PolarHBondContact O-N 2.59Å; N443-L445 WeakPolarHBondContact OD1-CB 3.31Å; N443-L445 PolarHBondContact OD1-N 3.06Å; N443-Q446 HydrophobicContact CB-CB 4.07Å; N443-Q446 PolarHBondContact O-N 3.05Å; N443-Q446 VanDerWaalsContact O-N 3.11Å; N443-Q446 PolarHBondContact OD1-N 3.37Å; N443-V447 WeakPolarHBondContact O-CG2 3.35Å; N443-V447 PolarHBondContact O-N 3.44Å
444L94.4Very high91.1Very high23 Ų2351.2 Ų51.212%0.1225%0.254CS..Hα-helixtrans-58.3-30.6-179.2-66.8175.7000113.5K359 F362 I363 L386 I442 A448 F562K359-L444 HydrophobicContact CG-CD1 4.46Å; F362-L444 HydrophobicContact CE1-CB 4.47Å; F362-L444 HydrophobicContact CE1-CD2 4.32Å; I363-L444 HydrophobicContact CD1-CD1 4.4Å; I363-L444 HydrophobicContact CG1-CD2 4.2Å; L386-L444 HydrophobicContact CD1-CD2 4.35Å; I442-L444 HydrophobicContact CG2-CD2 4.01Å; L444-A448 VanDerWaalsContact O-CB 3.32Å; L444-A448 WeakPolarHBondContact O-CB 3.45Å; L444-A448 PolarHBondContact O-N 3.36Å; L444-F562 HydrophobicContact CB-CE1 3.93Å; L444-F562 HydrophobicContact CB-CZ 3.68Å; L444-F562 HydrophobicContact CD1-CZ 4.28Å
445L95.2Very high92Very high63 Ų6344 Ų4433%0.3322%0.216SC..Hα-helixtrans-69.6-40.9177.9-63174.1000111.5N443 A448 R449 F562 L563 H566N443-L445 PolarHBondContact O-N 2.59Å; N443-L445 WeakPolarHBondContact OD1-CB 3.31Å; N443-L445 PolarHBondContact OD1-N 3.06Å; L445-A448 PolarHBondContact O-N 2.89Å; L445-R449 WeakPolarHBondContact O-CG 3.36Å; L445-R449 PolarHBondContact O-N 3.21Å; L445-F562 HydrophobicContact CD2-CE1 3.98Å; L445-L563 HydrophobicContact CB-CD2 4.46Å; L445-L563 HydrophobicContact CD2-CD2 3.91Å; L445-H566 HydrophobicContact CD2-CB 4.24Å
446Q93.9Very high92.6Very high84 Ų8443.3 Ų43.339%0.39321%0.211SC..Hα-helixtrans-67.3-43.9174.7179.6170.5-8.900111N443 A448 R449 L450N443-Q446 HydrophobicContact CB-CB 4.07Å; N443-Q446 PolarHBondContact O-N 3.05Å; N443-Q446 VanDerWaalsContact O-N 3.11Å; N443-Q446 PolarHBondContact OD1-N 3.37Å; Q446-A448 VanDerWaalsContact C-N 3.26Å; Q446-A448 PolarHBondContact O-N 2.66Å; Q446-R449 PolarHBondContact O-N 3.49Å; Q446-L450 PolarHBondContact O-N 2.98Å
447V95.6Very high93Very high1 Ų143.1 Ų43.11%0.00621%0.209CC..Hα-helixtrans-60.3-38.4176177.90000110.9F362 V366 F419 I442 N443 L450 V451F362-V447 HydrophobicContact CZ-CG1 4.11Å; V366-V447 HydrophobicContact CG1-CG1 3.82Å; V366-V447 HydrophobicContact CG2-CG1 3.82Å; F419-V447 HydrophobicContact CD1-CG1 4.2Å; I442-V447 HydrophobicContact CG2-CG2 4.25Å; N443-V447 WeakPolarHBondContact O-CG2 3.35Å; N443-V447 PolarHBondContact O-N 3.44Å; V447-L450 WeakPolarHBondContact O-CB 3.5Å; V447-L450 PolarHBondContact O-N 3.29Å; V447-V451 HydrophobicContact CG1-CG2 4.26Å; V447-V451 WeakPolarHBondContact O-CB 3.5Å; V447-V451 VanDerWaalsContact O-CG2 3.27Å; V447-V451 WeakPolarHBondContact O-CG2 3.32Å; V447-V451 PolarHBondContact O-N 2.83Å
448A95.7Very high93.4Very high0 Ų044.7 Ų44.70%022%0.217CC..Hα-helixtrans-63.7-43.8176.600000112.3F362 L444 L445 Q446 L450 V451 I452 F562 L563F362-A448 HydrophobicContact CE1-CB 4.03Å; F362-A448 HydrophobicContact CE2-CB 4.06Å; F362-A448 HydrophobicContact CZ-CB 3.56Å; L444-A448 VanDerWaalsContact O-CB 3.32Å; L444-A448 WeakPolarHBondContact O-CB 3.45Å; L444-A448 PolarHBondContact O-N 3.36Å; L445-A448 PolarHBondContact O-N 2.89Å; Q446-A448 VanDerWaalsContact C-N 3.26Å; Q446-A448 PolarHBondContact O-N 2.66Å; A448-L450 VanDerWaalsContact C-N 3.34Å; A448-L450 PolarHBondContact O-N 3.05Å; A448-V451 PolarHBondContact O-N 2.68Å; A448-I452 VanDerWaalsContact O-CG1 3.28Å; A448-I452 WeakPolarHBondContact O-CG1 3.37Å; A448-I452 PolarHBondContact O-N 2.98Å; A448-F562 HydrophobicContact CB-CD1 3.68Å; A448-F562 HydrophobicContact CB-CE1 4.14Å; A448-L563 HydrophobicContact CB-CD1 4.35Å; A448-L563 HydrophobicContact CB-CD2 3.74Å; A448-L563 HydrophobicContact CB-CG 3.81Å
449R94.6Very high93.7Very high171 Ų17142.8 Ų42.865%0.64520%0.204SC*.Hα-helixtrans-61.4-42.9174.6-68.1173.7-176.8170.61.2111.9L445 Q446 I452 E453 L563L445-R449 WeakPolarHBondContact O-CG 3.36Å; L445-R449 PolarHBondContact O-N 3.21Å; Q446-R449 PolarHBondContact O-N 3.49Å; R449-I452 PolarHBondContact O-N 2.97Å; R449-E453 PolarHBondContact O-N 3.29Å; R449-L563 HydrophobicContact CG-CD1 3.91Å; R449-L563 HydrophobicContact CG-CD2 4.5Å
450L94.4Very high93.8Very high29 Ų2942.8 Ų42.815%0.15220%0.202CC..Hα-helixtrans-60-47174.7174.367.5000111.7M417 F419 Q446 V447 A448 I452 E453 L454M417-L450 WeakPolarHBondContact O-CD1 3.19Å; M417-L450 WeakPolarHBondContact O-CD2 3.03Å; F419-L450 HydrophobicContact CD1-CD2 4.03Å; F419-L450 HydrophobicContact CD2-CD2 4.19Å; F419-L450 HydrophobicContact CE1-CD2 3.96Å; F419-L450 HydrophobicContact CE2-CD2 4.13Å; F419-L450 HydrophobicContact CG-CD2 4.14Å; F419-L450 HydrophobicContact CZ-CD2 4.01Å; Q446-L450 PolarHBondContact O-N 2.98Å; V447-L450 WeakPolarHBondContact O-CB 3.5Å; V447-L450 PolarHBondContact O-N 3.29Å; A448-L450 VanDerWaalsContact C-N 3.34Å; A448-L450 PolarHBondContact O-N 3.05Å; L450-I452 VanDerWaalsContact C-N 3.31Å; L450-I452 PolarHBondContact O-N 3.48Å; L450-E453 PolarHBondContact O-N 2.83Å; L450-L454 HydrophobicContact CD1-CD1 4.08Å; L450-L454 HydrophobicContact CD1-CG 4.12Å; L450-L454 HydrophobicContact CG-CD1 3.93Å; L450-L454 HydrophobicContact CG-CG 4.35Å; L450-L454 WeakPolarHBondContact O-CB 3.48Å; L450-L454 VanDerWaalsContact O-CG 3.32Å; L450-L454 WeakPolarHBondContact O-CG 3.4Å; L450-L454 PolarHBondContact O-N 2.87Å
451V94.9Very high93.8Very high3 Ų348.3 Ų48.32%0.01822%0.223CC..Hα-helixtrans-63.6-37.9178.9170.60000111.3F362 V366 I369 V447 A448 S455 A559F362-V451 HydrophobicContact CE2-CB 4.41Å; F362-V451 HydrophobicContact CE2-CG2 4.38Å; V366-V451 HydrophobicContact CG2-CG2 4.11Å; I369-V451 HydrophobicContact CD1-CG1 3.97Å; I369-V451 HydrophobicContact CD1-CG2 4.12Å; V447-V451 HydrophobicContact CG1-CG2 4.26Å; V447-V451 WeakPolarHBondContact O-CB 3.5Å; V447-V451 VanDerWaalsContact O-CG2 3.27Å; V447-V451 WeakPolarHBondContact O-CG2 3.32Å; V447-V451 PolarHBondContact O-N 2.83Å; A448-V451 PolarHBondContact O-N 2.68Å; V451-S455 WeakPolarHBondContact O-CB 3.22Å; V451-S455 PolarHBondContact O-N 3.21Å; V451-S455 PolarHBondContact O-OG 3.12Å; V451-A559 HydrophobicContact CB-CB 4.16Å; V451-A559 HydrophobicContact CG1-CB 3.86Å
452I93.9Very high93.9Very high21 Ų2148 Ų4811%0.10822%0.219CC..Hα-helixtrans-60.4-49.7173.8-69.9167.4000110.3A448 R449 L450 S455 Q456 A559 D560 L563A448-I452 VanDerWaalsContact O-CG1 3.28Å; A448-I452 WeakPolarHBondContact O-CG1 3.37Å; A448-I452 PolarHBondContact O-N 2.98Å; R449-I452 PolarHBondContact O-N 2.97Å; L450-I452 VanDerWaalsContact C-N 3.31Å; L450-I452 PolarHBondContact O-N 3.48Å; I452-S455 WeakPolarHBondContact CA-OG 3.4Å; I452-S455 PolarHBondContact O-N 2.66Å; I452-S455 PolarHBondContact O-OG 3.41Å; I452-Q456 HydrophobicContact CG2-CG 4.47Å; I452-Q456 WeakPolarHBondContact O-CG 3.48Å; I452-Q456 PolarHBondContact O-N 3.13Å; I452-A559 HydrophobicContact CD1-CB 4.3Å; I452-A559 HydrophobicContact CG1-CB 3.69Å; I452-D560 HydrophobicContact CD1-CB 4.24Å; I452-L563 HydrophobicContact CD1-CD1 3.43Å; I452-L563 VanDerWaalsContact CD1-CD1 3.43Å; I452-L563 HydrophobicContact CD1-CG 4.39Å
453E92.6Very high93.8Very high93 Ų9346.7 Ų46.744%0.43521%0.213SC..Hα-helixtrans-61.4-50.7179-175.9173.9-175.300111.7R449 L450 S455 Q456 H457R449-E453 PolarHBondContact O-N 3.29Å; L450-E453 PolarHBondContact O-N 2.83Å; E453-S455 VanDerWaalsContact C-N 3.3Å; E453-S455 PolarHBondContact O-N 2.81Å; E453-Q456 WeakPolarHBondContact O-CB 3.43Å; E453-Q456 PolarHBondContact O-N 2.98Å; E453-Q456 VanDerWaalsContact O-N 3.14Å; E453-H457 PolarHBondContact O-CD2 3.16Å; E453-H457 PolarHBondContact O-N 3.49Å
454L92.8Very high93.8Very high67 Ų6747.1 Ų47.135%0.35122%0.215SC..Hα-helixtrans-56.4-44.2177.2-71.1175.4000112F419 L450 H457 E458F419-L454 HydrophobicContact CZ-CD1 4.16Å; L450-L454 HydrophobicContact CD1-CD1 4.08Å; L450-L454 HydrophobicContact CD1-CG 4.12Å; L450-L454 HydrophobicContact CG-CD1 3.93Å; L450-L454 HydrophobicContact CG-CG 4.35Å; L450-L454 WeakPolarHBondContact O-CB 3.48Å; L450-L454 VanDerWaalsContact O-CG 3.32Å; L450-L454 WeakPolarHBondContact O-CG 3.4Å; L450-L454 PolarHBondContact O-N 2.87Å; L454-H457 PolarHBondContact O-N 2.88Å; L454-E458 WeakPolarHBondContact O-CB 3.33Å; L454-E458 PolarHBondContact O-N 3.46Å
455S93.6Very high93.8Very high8 Ų851.7 Ų51.76%0.05623%0.23CC..Hα-helixtrans-67.2-36.1179640000112.6V451 I452 E453 E458 V459 W556V451-S455 WeakPolarHBondContact O-CB 3.22Å; V451-S455 PolarHBondContact O-N 3.21Å; V451-S455 PolarHBondContact O-OG 3.12Å; I452-S455 WeakPolarHBondContact CA-OG 3.4Å; I452-S455 PolarHBondContact O-N 2.66Å; I452-S455 PolarHBondContact O-OG 3.41Å; E453-S455 VanDerWaalsContact C-N 3.3Å; E453-S455 PolarHBondContact O-N 2.81Å; S455-E458 PolarHBondContact O-N 2.97Å; S455-V459 WeakPolarHBondContact O-CB 3.48Å; S455-V459 WeakPolarHBondContact O-CG2 3.28Å; S455-V459 PolarHBondContact O-N 3.32Å; S455-W556 WeakPolarHBondContact OG-CA 3.29Å; S455-W556 VanDerWaalsContact OG-CB 3.22Å; S455-W556 WeakPolarHBondContact OG-CB 3.28Å
456Q92Very high93.6Very high10 Ų1050.8 Ų50.85%0.04722%0.223CC..Hα-helixtrans-63.3-47.1174-72.9165.2-12.400111.7S2 A5 I452 E453 E458 F460 W556S2-Q456 PolarHBondContact OG-OE1 2.97Å; A5-Q456 HydrophobicContact CB-CG 4.5Å; I452-Q456 HydrophobicContact CG2-CG 4.47Å; I452-Q456 WeakPolarHBondContact O-CG 3.48Å; I452-Q456 PolarHBondContact O-N 3.13Å; E453-Q456 WeakPolarHBondContact O-CB 3.43Å; E453-Q456 PolarHBondContact O-N 2.98Å; E453-Q456 VanDerWaalsContact O-N 3.14Å; Q456-E458 VanDerWaalsContact C-N 3.32Å; Q456-E458 PolarHBondContact O-N 3.23Å; Q456-F460 WeakPolarHBondContact O-CB 3.46Å; Q456-F460 PolarHBondContact O-N 2.88Å; Q456-F460 VanDerWaalsContact O-N 3.09Å; Q456-W556 HydrophobicContact CG-CD2 4.04Å; Q456-W556 HydrophobicContact CG-CE3 4.02Å; Q456-W556 HydrophobicContact CG-CH2 3.72Å; Q456-W556 HydrophobicContact CG-CZ2 3.73Å; Q456-W556 HydrophobicContact CG-CZ3 3.86Å; Q456-W556 VanDerWaalsContact NE2-CZ2 3.3Å
457H92.9Very high93.4Very high54 Ų5449.1 Ų49.125%0.2522%0.217CC..Hα-helixtrans-57.8-46.2174.5-82.9-87.3000111.8T4 E453 L454 F460 R461T4-H457 WeakPolarHBondContact CG2-CE1 3.47Å; T4-H457 WeakPolarHBondContact CG2-ND1 3.4Å; T4-H457 VanDerWaalsContact CG2-NE2 3.34Å; T4-H457 WeakPolarHBondContact CG2-NE2 3.18Å; T4-H457 PolarHBondContact OG1-NE2 2.95Å; E453-H457 PolarHBondContact O-CD2 3.16Å; E453-H457 PolarHBondContact O-N 3.49Å; L454-H457 PolarHBondContact O-N 2.88Å; H457-F460 PolarHBondContact O-N 3.22Å; H457-R461 WeakPolarHBondContact O-CB 3.49Å; H457-R461 VanDerWaalsContact O-CG 3.28Å; H457-R461 WeakPolarHBondContact O-CG 3.44Å; H457-R461 PolarHBondContact O-N 3.21Å
458E93Very high93.2Very high86 Ų8655 Ų5540%0.40224%0.239SC..Hα-helixtrans-71.8-41.9-174.2-158.263.7-169.900111.9L454 S455 Q456 F460 R461 I462L454-E458 WeakPolarHBondContact O-CB 3.33Å; L454-E458 PolarHBondContact O-N 3.46Å; S455-E458 PolarHBondContact O-N 2.97Å; Q456-E458 VanDerWaalsContact C-N 3.32Å; Q456-E458 PolarHBondContact O-N 3.23Å; E458-F460 VanDerWaalsContact C-N 3.29Å; E458-F460 PolarHBondContact O-N 3.32Å; E458-R461 PolarHBondContact O-N 2.91Å; E458-I462 HydrophobicContact CG-CD1 4Å; E458-I462 WeakPolarHBondContact O-CB 3.47Å; E458-I462 WeakPolarHBondContact O-CD1 3.49Å; E458-I462 WeakPolarHBondContact O-CG1 3.4Å; E458-I462 PolarHBondContact O-N 2.94Å
459V93.4Very high92.9Very high0 Ų055.9 Ų55.90%024%0.244CC..Hα-helixtrans-58.4-42.9173.3170.80000111Y8 S455 I462 S463 C552Y8-V459 HydrophobicContact CE1-CG1 3.66Å; Y8-V459 HydrophobicContact CE2-CG1 4.01Å; Y8-V459 WeakPolarHBondContact OH-CG1 3.5Å; S455-V459 WeakPolarHBondContact O-CB 3.48Å; S455-V459 WeakPolarHBondContact O-CG2 3.28Å; S455-V459 PolarHBondContact O-N 3.32Å; V459-I462 PolarHBondContact O-N 2.82Å; V459-S463 WeakPolarHBondContact O-CB 3.43Å; V459-S463 PolarHBondContact O-N 3.24Å; V459-S463 PolarHBondContact O-OG 3.29Å; V459-C552 HydrophobicContact CG2-CB 3.39Å
460F93.5Very high92.6Very high32 Ų3252.7 Ų52.714%0.1424%0.235CC..Hα-helixtrans-64.4-48.1178.6179.7-145.1000111.5E7 Y8 Y11 Q456 H457 E458 I462 S463 L464E7-F460 HydrophobicContact CB-CE1 4.07Å; E7-F460 HydrophobicContact CB-CZ 4.41Å; Y8-F460 HydrophobicContact CD2-CB 3.85Å; Y8-F460 AromaticContact CD2-CD2 3.73Å; Y8-F460 HydrophobicContact CD2-CD2 3.73Å; Y8-F460 HydrophobicContact CD2-CG 4.1Å; Y8-F460 HydrophobicContact CG-CB 4.18Å; Y11-F460 HydrophobicContact CD1-CD2 4.33Å; Y11-F460 HydrophobicContact CD1-CE2 4.33Å; Y11-F460 HydrophobicContact CD2-CE2 4.14Å; Y11-F460 HydrophobicContact CG-CD2 4.25Å; Y11-F460 AromaticContact CG-CE2 3.79Å; Y11-F460 HydrophobicContact CG-CE2 3.79Å; Q456-F460 WeakPolarHBondContact O-CB 3.46Å; Q456-F460 PolarHBondContact O-N 2.88Å; Q456-F460 VanDerWaalsContact O-N 3.09Å; H457-F460 PolarHBondContact O-N 3.22Å; E458-F460 VanDerWaalsContact C-N 3.29Å; E458-F460 PolarHBondContact O-N 3.32Å; F460-I462 PolarHBondContact O-N 3.06Å; F460-S463 WeakPolarHBondContact O-CB 3.4Å; F460-S463 PolarHBondContact O-N 2.75Å; F460-S463 VanDerWaalsContact O-N 3.15Å; F460-L464 HydrophobicContact CD2-CD1 4.12Å; F460-L464 HydrophobicContact CD2-CG 3.98Å; F460-L464 HydrophobicContact CE1-CD1 4.11Å; F460-L464 HydrophobicContact CE2-CD1 3.69Å; F460-L464 HydrophobicContact CE2-CD2 3.82Å; F460-L464 HydrophobicContact CE2-CG 3.65Å; F460-L464 HydrophobicContact CZ-CD1 3.69Å; F460-L464 HydrophobicContact CZ-CD2 4.34Å; F460-L464 HydrophobicContact CZ-CG 4.18Å; F460-L464 WeakPolarHBondContact O-CG 3.28Å; F460-L464 PolarHBondContact O-N 3.14Å
461R93.8Very high92.3Very high152 Ų15254.9 Ų54.957%0.57425%0.252SS*.Hα-helixtrans-59.9-43176.9-73171.2176.9-175.90.2112.5H457 E458 S463 L464 R465H457-R461 WeakPolarHBondContact O-CB 3.49Å; H457-R461 VanDerWaalsContact O-CG 3.28Å; H457-R461 WeakPolarHBondContact O-CG 3.44Å; H457-R461 PolarHBondContact O-N 3.21Å; E458-R461 PolarHBondContact O-N 2.91Å; R461-S463 VanDerWaalsContact C-N 3.31Å; R461-S463 PolarHBondContact O-N 2.89Å; R461-L464 PolarHBondContact O-N 3.14Å; R461-R465 WeakPolarHBondContact O-CB 3.38Å; R461-R465 PolarHBondContact O-N 2.93Å
462I94.3Very high91.8Very high13 Ų1360.3 Ų60.37%0.06728%0.277CS..Hα-helixtrans-62.4-42.1176.2-69.8163.7000110.4E458 V459 F460 R465 R466 L545 C548 E549E458-I462 HydrophobicContact CG-CD1 4Å; E458-I462 WeakPolarHBondContact O-CB 3.47Å; E458-I462 WeakPolarHBondContact O-CD1 3.49Å; E458-I462 WeakPolarHBondContact O-CG1 3.4Å; E458-I462 PolarHBondContact O-N 2.94Å; V459-I462 PolarHBondContact O-N 2.82Å; F460-I462 PolarHBondContact O-N 3.06Å; I462-R465 PolarHBondContact O-N 2.86Å; I462-R466 WeakPolarHBondContact O-CB 3.36Å; I462-R466 PolarHBondContact O-N 3.11Å; I462-L545 HydrophobicContact CG2-CB 4.36Å; I462-L545 HydrophobicContact CG2-CD2 4.3Å; I462-L545 WeakPolarHBondContact CG2-O 3.5Å; I462-C548 HydrophobicContact CD1-CB 3.81Å; I462-E549 HydrophobicContact CG2-CB 3.96Å
463S92.5Very high91.3Very high1 Ų161.5 Ų61.51%0.00728%0.282CS..Hα-helixtrans-63.2-46.7178.4-67.60000112.4Y11 V459 F460 R461 R465 R466 D467Y11-S463 PolarHBondContact OH-O 2.98Å; V459-S463 WeakPolarHBondContact O-CB 3.43Å; V459-S463 PolarHBondContact O-N 3.24Å; V459-S463 PolarHBondContact O-OG 3.29Å; F460-S463 WeakPolarHBondContact O-CB 3.4Å; F460-S463 PolarHBondContact O-N 2.75Å; F460-S463 VanDerWaalsContact O-N 3.15Å; R461-S463 VanDerWaalsContact C-N 3.31Å; R461-S463 PolarHBondContact O-N 2.89Å; S463-R465 VanDerWaalsContact C-N 3.33Å; S463-R465 PolarHBondContact O-N 3.31Å; S463-R466 PolarHBondContact O-N 2.7Å; S463-R466 PolarHBondContact OG-NH2 3.43Å; S463-R466 VanDerWaalsContact OG-NH2 3.11Å; S463-D467 PolarHBondContact O-N 3.39Å
464L92.9Very high91Very high79 Ų7958.7 Ų58.741%0.41427%0.273SS..Hα-helixtrans-60.1-43.8173.2-69.3176.7000111.5Y11 F460 R461 R466 D467 Y468Y11-L464 HydrophobicContact CD2-CD2 3.93Å; Y11-L464 HydrophobicContact CE2-CD2 3.87Å; F460-L464 HydrophobicContact CD2-CD1 4.12Å; F460-L464 HydrophobicContact CD2-CG 3.98Å; F460-L464 HydrophobicContact CE1-CD1 4.11Å; F460-L464 HydrophobicContact CE2-CD1 3.69Å; F460-L464 HydrophobicContact CE2-CD2 3.82Å; F460-L464 HydrophobicContact CE2-CG 3.65Å; F460-L464 HydrophobicContact CZ-CD1 3.69Å; F460-L464 HydrophobicContact CZ-CD2 4.34Å; F460-L464 HydrophobicContact CZ-CG 4.18Å; F460-L464 WeakPolarHBondContact O-CG 3.28Å; F460-L464 PolarHBondContact O-N 3.14Å; R461-L464 PolarHBondContact O-N 3.14Å; L464-R466 PolarHBondContact O-N 3.4Å; L464-D467 PolarHBondContact O-N 2.88Å; L464-Y468 WeakPolarHBondContact O-CB 3.39Å; L464-Y468 PolarHBondContact O-N 3.42Å
465R94.3Very high90.6Very high118 Ų11865 Ų6545%0.44529%0.291SS..Hα-helixtrans-63.2-42.9179.2-177.657.3-176.8-125.118.2111.5R461 I462 S463 Y468 E469 L545R461-R465 WeakPolarHBondContact O-CB 3.38Å; R461-R465 PolarHBondContact O-N 2.93Å; I462-R465 PolarHBondContact O-N 2.86Å; S463-R465 VanDerWaalsContact C-N 3.33Å; S463-R465 PolarHBondContact O-N 3.31Å; R465-Y468 WeakPolarHBondContact O-CB 3.02Å; R465-Y468 PolarHBondContact O-N 3.44Å; R465-E469 IonicContact CZ-OE1 2.73Å; R465-E469 IonicContact NE-OE1 2.83Å; R465-E469 PolarHBondContact NE-OE1 2.94Å; R465-E469 IonicContact NH2-OE1 3.36Å; R465-E469 PolarHBondContact NH2-OE1 3.1Å; R465-E469 VanDerWaalsContact O-CG 3.3Å; R465-E469 WeakPolarHBondContact O-CG 3.25Å; R465-E469 PolarHBondContact O-N 3.11Å; R465-L545 HydrophobicContact CG-CD1 4.25Å; R465-L545 HydrophobicContact CG-CD2 4.2Å
466R91.6Very high90.1Very high44 Ų4465.6 Ų65.617%0.16629%0.294CS..Hα-helixtrans-60.1-46.1176.9171.118052.5-165-14.6111.6I462 S463 L464 Y468 E469 F470 L542 L545 E549I462-R466 WeakPolarHBondContact O-CB 3.36Å; I462-R466 PolarHBondContact O-N 3.11Å; S463-R466 PolarHBondContact O-N 2.7Å; S463-R466 PolarHBondContact OG-NH2 3.43Å; S463-R466 VanDerWaalsContact OG-NH2 3.11Å; L464-R466 PolarHBondContact O-N 3.4Å; R466-Y468 VanDerWaalsContact C-N 3.31Å; R466-Y468 PolarHBondContact O-N 3.47Å; R466-E469 PolarHBondContact O-N 3.45Å; R466-F470 WeakPolarHBondContact O-CB 3.14Å; R466-F470 PolarHBondContact O-N 3.33Å; R466-L542 HydrophobicContact CG-CD2 4.02Å; R466-L545 HydrophobicContact CB-CD1 4.21Å; R466-E549 IonicContact CZ-OE1 2.9Å; R466-E549 IonicContact CZ-OE2 3.15Å; R466-E549 VanDerWaalsContact CZ-OE2 3.3Å; R466-E549 IonicContact NH1-OE1 2.75Å; R466-E549 PolarHBondContact NH1-OE1 2.99Å; R466-E549 IonicContact NH1-OE2 2.81Å; R466-E549 PolarHBondContact NH1-OE2 3Å; R466-E549 VanDerWaalsContact NH2-CD 3.34Å; R466-E549 IonicContact NH2-OE1 2.7Å; R466-E549 PolarHBondContact NH2-OE1 3.35Å; R466-E549 IonicContact NH2-OE2 2.84Å; R466-E549 PolarHBondContact NH2-OE2 3.42Å
467D90.2Very high89.7Confident50 Ų5067.1 Ų67.127%0.26730%0.302SS..Hα-helixtrans-65.3-38178.9-72.81.2000111.6Y11 K15 S463 L464 F470 S471Y11-D467 WeakPolarHBondContact CE2-OD2 3.45Å; Y11-D467 PolarHBondContact OH-OD1 3.03Å; Y11-D467 PolarHBondContact OH-OD2 2.94Å; K15-D467 IonicContact NZ-OD1 2.83Å; K15-D467 PolarHBondContact NZ-OD1 3.07Å; K15-D467 IonicContact NZ-OD2 2.94Å; K15-D467 PolarHBondContact NZ-OD2 3Å; S463-D467 PolarHBondContact O-N 3.39Å; L464-D467 PolarHBondContact O-N 2.88Å; D467-F470 PolarHBondContact O-N 3.26Å; D467-S471 WeakPolarHBondContact O-CB 3.49Å; D467-S471 PolarHBondContact O-N 3.02Å; D467-S471 PolarHBondContact O-OG 3.14Å
468Y91.4Very high89.4Confident123 Ų12370.3 Ų70.348%0.48232%0.317SS..Hα-helixtrans-61.7-45.8172.8178.6-94.1000112.2L464 R465 R466 F470 S471 Q472L464-Y468 WeakPolarHBondContact O-CB 3.39Å; L464-Y468 PolarHBondContact O-N 3.42Å; R465-Y468 WeakPolarHBondContact O-CB 3.02Å; R465-Y468 PolarHBondContact O-N 3.44Å; R466-Y468 VanDerWaalsContact C-N 3.31Å; R466-Y468 PolarHBondContact O-N 3.47Å; Y468-F470 VanDerWaalsContact C-N 3.28Å; Y468-F470 PolarHBondContact O-N 2.9Å; Y468-S471 PolarHBondContact O-N 3.48Å; Y468-S471 PolarHBondContact O-OG 3.44Å; Y468-Q472 HydrophobicContact CD1-CG 4.28Å; Y468-Q472 HydrophobicContact CE1-CG 3.88Å; Y468-Q472 HydrophobicContact CE2-CG 4.26Å; Y468-Q472 VanDerWaalsContact CZ-NE2 3.35Å; Y468-Q472 VanDerWaalsContact O-CG 3.23Å; Y468-Q472 WeakPolarHBondContact O-CG 3.33Å; Y468-Q472 PolarHBondContact O-N 2.64Å; Y468-Q472 VanDerWaalsContact O-N 3.1Å; Y468-Q472 PolarHBondContact OH-NE2 3.34Å; Y468-Q472 VanDerWaalsContact OH-NE2 3.17Å
469E88.9Confident89Confident19 Ų1969 Ų699%0.08931%0.311CS..Hα-helixtrans-65.4-34.8177-64.7-63.5150.500112.2R465 R466 L538 K541 L542 L545R465-E469 IonicContact CZ-OE1 2.73Å; R465-E469 IonicContact NE-OE1 2.83Å; R465-E469 PolarHBondContact NE-OE1 2.94Å; R465-E469 IonicContact NH2-OE1 3.36Å; R465-E469 PolarHBondContact NH2-OE1 3.1Å; R465-E469 VanDerWaalsContact O-CG 3.3Å; R465-E469 WeakPolarHBondContact O-CG 3.25Å; R465-E469 PolarHBondContact O-N 3.11Å; R466-E469 PolarHBondContact O-N 3.45Å; E469-L538 HydrophobicContact CB-CD1 4.05Å; E469-K541 HydrophobicContact CG-CD 4.24Å; E469-K541 WeakPolarHBondContact OE1-CE 3.35Å; E469-K541 IonicContact OE1-NZ 3.93Å; E469-K541 PolarHBondContact OE1-NZ 2.91Å; E469-K541 WeakPolarHBondContact OE2-CD 3.23Å; E469-K541 VanDerWaalsContact OE2-CE 3.31Å; E469-K541 WeakPolarHBondContact OE2-CE 3.36Å; E469-K541 IonicContact OE2-NZ 3.31Å; E469-K541 PolarHBondContact OE2-NZ 3.39Å; E469-L542 HydrophobicContact CB-CD2 4.36Å; E469-L545 HydrophobicContact CG-CD1 4.29Å
470F87.1Confident88.5Confident105 Ų10573.7 Ų73.746%0.46133%0.329SS..Hα-helixtrans-67.7-44.4175.5-169.9-90.9000111.6R466 D467 Y468 K473 S474 I477R466-F470 WeakPolarHBondContact O-CB 3.14Å; R466-F470 PolarHBondContact O-N 3.33Å; D467-F470 PolarHBondContact O-N 3.26Å; Y468-F470 VanDerWaalsContact C-N 3.28Å; Y468-F470 PolarHBondContact O-N 2.9Å; F470-K473 CarbonylContact O-C 3.55Å; F470-K473 PolarHBondContact O-N 3.2Å; F470-S474 WeakPolarHBondContact O-CA 3.46Å; F470-S474 PolarHBondContact O-N 3.48Å; F470-I477 HydrophobicContact CD2-CD1 3.6Å; F470-I477 HydrophobicContact CE2-CD1 3.52Å; F470-I477 HydrophobicContact CE2-CG2 4.28Å; F470-I477 HydrophobicContact CG-CD1 4.28Å; F470-I477 HydrophobicContact CZ-CD1 4.14Å; F470-I477 HydrophobicContact CZ-CG2 4.38Å
471S87.9Confident88.1Confident74 Ų7479.8 Ų79.852%0.51735%0.352SS..Hα-helixtrans-66.8-38.5-178.9690000112.6D467 Y468 K473 S474D467-S471 WeakPolarHBondContact O-CB 3.49Å; D467-S471 PolarHBondContact O-N 3.02Å; D467-S471 PolarHBondContact O-OG 3.14Å; Y468-S471 PolarHBondContact O-N 3.48Å; Y468-S471 PolarHBondContact O-OG 3.44Å; S471-K473 PolarHBondContact O-N 2.94Å; S471-S474 PolarHBondContact O-N 3.3Å
472Q84.4Confident87.8Confident117 Ų11781.4 Ų81.455%0.54736%0.358SS..Hα-helixtrans-62.2-25.3177.7-71-65.5-14.200113.4Y468Y468-Q472 HydrophobicContact CD1-CG 4.28Å; Y468-Q472 HydrophobicContact CE1-CG 3.88Å; Y468-Q472 HydrophobicContact CE2-CG 4.26Å; Y468-Q472 VanDerWaalsContact CZ-NE2 3.35Å; Y468-Q472 VanDerWaalsContact O-CG 3.23Å; Y468-Q472 WeakPolarHBondContact O-CG 3.33Å; Y468-Q472 PolarHBondContact O-N 2.64Å; Y468-Q472 VanDerWaalsContact O-N 3.1Å; Y468-Q472 PolarHBondContact OH-NE2 3.34Å; Y468-Q472 VanDerWaalsContact OH-NE2 3.17Å
473K83.4Confident87.4Confident47 Ų4781.4 Ų81.420%0.20436%0.358CS..THydrogen-bonded Turntrans-12216.6-178-68.5-174.2178.9175.90113.6F470 S471 R475 L476 I477 Q534 L538F470-K473 CarbonylContact O-C 3.55Å; F470-K473 PolarHBondContact O-N 3.2Å; S471-K473 PolarHBondContact O-N 2.94Å; K473-R475 VanDerWaalsContact C-N 3.25Å; K473-R475 PolarHBondContact O-N 2.89Å; K473-L476 PolarHBondContact O-N 3.41Å; K473-I477 WeakPolarHBondContact O-CG1 3.37Å; K473-I477 PolarHBondContact O-N 3.23Å; K473-I477 VanDerWaalsContact O-N 3.11Å; K473-Q534 PolarHBondContact NZ-O 2.83Å; K473-L538 HydrophobicContact CB-CD2 3.59Å; K473-L538 HydrophobicContact CD-CB 3.76Å; K473-L538 HydrophobicContact CD-CD1 3.96Å; K473-L538 HydrophobicContact CD-CD2 3.6Å; K473-L538 HydrophobicContact CD-CG 3.94Å; K473-L538 HydrophobicContact CG-CD2 4.2Å
474S86.4Confident87.1Confident34 Ų3485.2 Ų85.224%0.23838%0.376CS..Hα-helixtrans-55.9-41.8-176.5123.90000111.4F470 S471 L476 I477 E478F470-S474 WeakPolarHBondContact O-CA 3.46Å; F470-S474 PolarHBondContact O-N 3.48Å; S471-S474 PolarHBondContact O-N 3.3Å; S474-L476 PolarHBondContact O-N 3.07Å; S474-I477 PolarHBondContact O-N 3.22Å; S474-I477 VanDerWaalsContact O-N 3.14Å; S474-E478 WeakPolarHBondContact O-CB 3.4Å; S474-E478 WeakPolarHBondContact O-CG 3.16Å; S474-E478 PolarHBondContact O-N 3.17Å; S474-E478 PolarHBondContact OG-OE1 3.1Å
475R85.3Confident86.8Confident198 Ų19883.5 Ų83.575%0.74737%0.369SS*.Hα-helixtrans-54.5-47.1175.6-179.3179.8169.1171.2-1.6113.3K473 I477 E478 Q479K473-R475 VanDerWaalsContact C-N 3.25Å; K473-R475 PolarHBondContact O-N 2.89Å; R475-I477 VanDerWaalsContact C-N 3.34Å; R475-E478 PolarHBondContact O-N 3.42Å; R475-Q479 VanDerWaalsContact O-CB 3.3Å; R475-Q479 WeakPolarHBondContact O-CB 3.18Å; R475-Q479 PolarHBondContact O-N 3.31Å
476L82.7Confident86.5Confident22 Ų2280.6 Ų80.612%0.11536%0.362CS..Hα-helixtrans-68.8-36.2-179.4-67.2175.7000111.5K473 S474 R480 E531 Q534 L535K473-L476 PolarHBondContact O-N 3.41Å; S474-L476 PolarHBondContact O-N 3.07Å; L476-R480 VanDerWaalsContact O-CB 3.29Å; L476-R480 WeakPolarHBondContact O-CB 3.24Å; L476-R480 PolarHBondContact O-N 3.14Å; L476-E531 HydrophobicContact CD2-CB 4.23Å; L476-E531 HydrophobicContact CD2-CG 3.81Å; L476-Q534 HydrophobicContact CD1-CB 4.35Å; L476-L535 HydrophobicContact CB-CD2 3.83Å; L476-L535 HydrophobicContact CB-CG 4.28Å
477I83.1Confident86.2Confident42 Ų4279.6 Ų79.622%0.21536%0.36CS..Hα-helixtrans-67.8-45.7177.1-62.3170.5000110.4F470 K473 S474 R475 R480 Y481 L535 L538F470-I477 HydrophobicContact CD2-CD1 3.6Å; F470-I477 HydrophobicContact CE2-CD1 3.52Å; F470-I477 HydrophobicContact CE2-CG2 4.28Å; F470-I477 HydrophobicContact CG-CD1 4.28Å; F470-I477 HydrophobicContact CZ-CD1 4.14Å; F470-I477 HydrophobicContact CZ-CG2 4.38Å; K473-I477 WeakPolarHBondContact O-CG1 3.37Å; K473-I477 PolarHBondContact O-N 3.23Å; K473-I477 VanDerWaalsContact O-N 3.11Å; S474-I477 PolarHBondContact O-N 3.22Å; S474-I477 VanDerWaalsContact O-N 3.14Å; R475-I477 VanDerWaalsContact C-N 3.34Å; I477-R480 PolarHBondContact O-N 3.36Å; I477-Y481 WeakPolarHBondContact O-CB 3.35Å; I477-Y481 PolarHBondContact O-N 2.96Å; I477-L535 HydrophobicContact CG1-CD2 4.39Å; I477-L538 HydrophobicContact CD1-CD2 3.74Å; I477-L538 HydrophobicContact CG1-CD2 4.05Å
478E86.3Confident86Confident121 Ų12182.2 Ų82.257%0.56537%0.373SS*.Hα-helixtrans-63.6-42.7178-74.6166.8-148.900111.6S474 R475 Y481 R482S474-E478 WeakPolarHBondContact O-CB 3.4Å; S474-E478 WeakPolarHBondContact O-CG 3.16Å; S474-E478 PolarHBondContact O-N 3.17Å; S474-E478 PolarHBondContact OG-OE1 3.1Å; R475-E478 PolarHBondContact O-N 3.42Å; E478-Y481 PolarHBondContact O-N 3.27Å; E478-R482 WeakPolarHBondContact O-CB 3.31Å; E478-R482 PolarHBondContact O-N 3.03Å
479Q84.6Confident85.6Confident57 Ų5781.4 Ų81.427%0.26637%0.373SS..Hα-helixtrans-60.5-48.1173.8-178.7177.4-8.600111.1R475 Y481 R482 I483R475-Q479 VanDerWaalsContact O-CB 3.3Å; R475-Q479 WeakPolarHBondContact O-CB 3.18Å; R475-Q479 PolarHBondContact O-N 3.31Å; Q479-Y481 PolarHBondContact O-N 3.35Å; Q479-R482 PolarHBondContact O-N 3.02Å; Q479-I483 HydrophobicContact CG-CD1 3.81Å; Q479-I483 WeakPolarHBondContact O-CB 3.38Å; Q479-I483 VanDerWaalsContact O-CG1 3.27Å; Q479-I483 WeakPolarHBondContact O-CG1 3.43Å; Q479-I483 PolarHBondContact O-N 2.91Å
480R84.1Confident85.4Confident99 Ų9982.3 Ų82.337%0.37438%0.378SS..Hα-helixtrans-59.1-47.8176.2-176.7-172.4174178.6-2.5111.6L476 I477 R482 I483 E484 L535L476-R480 VanDerWaalsContact O-CB 3.29Å; L476-R480 WeakPolarHBondContact O-CB 3.24Å; L476-R480 PolarHBondContact O-N 3.14Å; I477-R480 PolarHBondContact O-N 3.36Å; R480-R482 VanDerWaalsContact C-N 3.33Å; R480-R482 PolarHBondContact O-N 2.86Å; R480-I483 PolarHBondContact O-N 3Å; R480-E484 HydrophobicContact CG-CG 4.34Å; R480-E484 IonicContact CZ-OE1 3.68Å; R480-E484 VanDerWaalsContact CZ-OE1 3.24Å; R480-E484 IonicContact NE-OE1 3.56Å; R480-E484 PolarHBondContact NE-OE1 2.94Å; R480-E484 IonicContact NH2-OE1 3.64Å; R480-E484 PolarHBondContact NH2-OE1 2.98Å; R480-E484 WeakPolarHBondContact O-CB 3.46Å; R480-E484 WeakPolarHBondContact O-CG 3.16Å; R480-E484 PolarHBondContact O-N 3.18Å; R480-L535 HydrophobicContact CB-CD1 4.27Å
481Y85.8Confident85.2Confident161 Ų16181.3 Ų81.363%0.63137%0.374SS*.Hα-helixtrans-60.6-42.5179.3178.7-101.3000111.9I477 E478 Q479 T485I477-Y481 WeakPolarHBondContact O-CB 3.35Å; I477-Y481 PolarHBondContact O-N 2.96Å; E478-Y481 PolarHBondContact O-N 3.27Å; Q479-Y481 PolarHBondContact O-N 3.35Å; Y481-T485 WeakPolarHBondContact O-CB 3.37Å; Y481-T485 PolarHBondContact O-N 3.48Å; Y481-T485 PolarHBondContact O-OG1 2.84Å
482R87.1Confident85Confident185 Ų18581.4 Ų81.470%0.69837%0.372SS*.Hα-helixtrans-61.6-46.5175.4-177.9176.7178.5150.8-0.1111.4E478 Q479 R480 T485 L486E478-R482 WeakPolarHBondContact O-CB 3.31Å; E478-R482 PolarHBondContact O-N 3.03Å; Q479-R482 PolarHBondContact O-N 3.02Å; R480-R482 VanDerWaalsContact C-N 3.33Å; R480-R482 PolarHBondContact O-N 2.86Å; R482-T485 PolarHBondContact O-N 2.95Å; R482-L486 HydrophobicContact CG-CD1 4.32Å; R482-L486 WeakPolarHBondContact O-CG 3.44Å; R482-L486 PolarHBondContact O-N 3.36Å
483I86.2Confident84.8Confident14 Ų1480.8 Ų80.87%0.07237%0.367CS..Hα-helixtrans-63.6-47.5178.9-69.5166.1000110.6Q479 R480 T485 L486 I487 L523 S526 I527Q479-I483 HydrophobicContact CG-CD1 3.81Å; Q479-I483 WeakPolarHBondContact O-CB 3.38Å; Q479-I483 VanDerWaalsContact O-CG1 3.27Å; Q479-I483 WeakPolarHBondContact O-CG1 3.43Å; Q479-I483 PolarHBondContact O-N 2.91Å; R480-I483 PolarHBondContact O-N 3Å; I483-T485 VanDerWaalsContact C-N 3.31Å; I483-T485 PolarHBondContact O-N 3.33Å; I483-L486 PolarHBondContact O-N 2.84Å; I483-I487 HydrophobicContact CG2-CD1 3.71Å; I483-I487 HydrophobicContact CG2-CG1 4.32Å; I483-I487 VanDerWaalsContact O-CG1 3.29Å; I483-I487 WeakPolarHBondContact O-CG1 3.4Å; I483-I487 PolarHBondContact O-N 3.46Å; I483-L523 HydrophobicContact CG2-CB 4.32Å; I483-S526 WeakPolarHBondContact CD1-OG 3.36Å; I483-I527 HydrophobicContact CD1-CD1 3.86Å; I483-I527 HydrophobicContact CD1-CG1 3.49Å; I483-I527 VanDerWaalsContact CD1-CG1 3.49Å; I483-I527 HydrophobicContact CG2-CD1 4.34Å
484E85.8Confident84.7Confident80 Ų8079.4 Ų79.437%0.37436%0.362SS..Hα-helixtrans-60.8-39.4177.4-74.9178.3172.800111.9R480 I487 L488R480-E484 HydrophobicContact CG-CG 4.34Å; R480-E484 IonicContact CZ-OE1 3.68Å; R480-E484 VanDerWaalsContact CZ-OE1 3.24Å; R480-E484 IonicContact NE-OE1 3.56Å; R480-E484 PolarHBondContact NE-OE1 2.94Å; R480-E484 IonicContact NH2-OE1 3.64Å; R480-E484 PolarHBondContact NH2-OE1 2.98Å; R480-E484 WeakPolarHBondContact O-CB 3.46Å; R480-E484 WeakPolarHBondContact O-CG 3.16Å; R480-E484 PolarHBondContact O-N 3.18Å; E484-I487 PolarHBondContact O-N 3.42Å; E484-L488 WeakPolarHBondContact O-CB 3.36Å; E484-L488 WeakPolarHBondContact O-CG 3.34Å; E484-L488 PolarHBondContact O-N 2.91Å
485T87.1Confident84.2Confident44 Ų4482.4 Ų82.427%0.2738%0.376SS..Hα-helixtrans-64.2-42.2176-56.60000111.6Y481 R482 I483 L488 Q489Y481-T485 WeakPolarHBondContact O-CB 3.37Å; Y481-T485 PolarHBondContact O-N 3.48Å; Y481-T485 PolarHBondContact O-OG1 2.84Å; R482-T485 PolarHBondContact O-N 2.95Å; I483-T485 VanDerWaalsContact C-N 3.31Å; I483-T485 PolarHBondContact O-N 3.33Å; T485-L488 PolarHBondContact O-N 3.45Å; T485-Q489 WeakPolarHBondContact O-CG 3.45Å; T485-Q489 PolarHBondContact O-N 2.91Å
486L86.6Confident83.8Confident57 Ų5777.9 Ų77.930%0.29836%0.363SS..Hα-helixtrans-66.9-40.8175.8-69.9171.8000111.8R482 I483 L488 Q489 H490 L523R482-L486 HydrophobicContact CG-CD1 4.32Å; R482-L486 WeakPolarHBondContact O-CG 3.44Å; R482-L486 PolarHBondContact O-N 3.36Å; I483-L486 PolarHBondContact O-N 2.84Å; L486-L488 PolarHBondContact O-N 3.47Å; L486-Q489 WeakPolarHBondContact O-CB 3.43Å; L486-Q489 PolarHBondContact O-N 3.41Å; L486-H490 PolarHBondContact O-CD2 3.05Å; L486-H490 VanDerWaalsContact O-CD2 3.25Å; L486-H490 PolarHBondContact O-N 3.1Å; L486-L523 HydrophobicContact CB-CD1 3.87Å; L486-L523 HydrophobicContact CD1-CD2 4.24Å
487I86.2Confident83.1Confident23 Ų2378.6 Ų78.612%0.11837%0.369CS..Hα-helixtrans-59.9-47174.9-70.8169000110.2I483 E484 Q489 H490 Q491 L523 K524I483-I487 HydrophobicContact CG2-CD1 3.71Å; I483-I487 HydrophobicContact CG2-CG1 4.32Å; I483-I487 VanDerWaalsContact O-CG1 3.29Å; I483-I487 WeakPolarHBondContact O-CG1 3.4Å; I483-I487 PolarHBondContact O-N 3.46Å; E484-I487 PolarHBondContact O-N 3.42Å; I487-Q489 VanDerWaalsContact C-N 3.31Å; I487-Q489 PolarHBondContact O-N 2.79Å; I487-H490 PolarHBondContact O-N 3.16Å; I487-Q491 HydrophobicContact CG2-CG 4.29Å; I487-Q491 WeakPolarHBondContact O-CB 3.21Å; I487-Q491 WeakPolarHBondContact O-CG 3.37Å; I487-Q491 PolarHBondContact O-N 2.87Å; I487-L523 HydrophobicContact CD1-CB 4.39Å; I487-L523 HydrophobicContact CG1-CB 4.03Å; I487-L523 HydrophobicContact CG1-CD1 4.19Å; I487-K524 HydrophobicContact CD1-CG 4.13Å
488L84.8Confident82.3Confident105 Ų10580.7 Ų80.755%0.5538%0.381SS..Hα-helixtrans-59.8-42176.8-74.7171.9000111.5E484 T485 L486 Q491 T492E484-L488 WeakPolarHBondContact O-CB 3.36Å; E484-L488 WeakPolarHBondContact O-CG 3.34Å; E484-L488 PolarHBondContact O-N 2.91Å; T485-L488 PolarHBondContact O-N 3.45Å; L486-L488 PolarHBondContact O-N 3.47Å; L488-Q491 PolarHBondContact O-N 3.46Å; L488-T492 PolarHBondContact O-N 2.87Å; L488-T492 PolarHBondContact O-OG1 2.78Å
489Q84.6Confident81.2Confident105 Ų10582.4 Ų82.449%0.49139%0.389SS..Hα-helixtrans-62.2-44.2176.3-73.8175.4-400112.6T485 L486 I487 T492 K493T485-Q489 WeakPolarHBondContact O-CG 3.45Å; T485-Q489 PolarHBondContact O-N 2.91Å; L486-Q489 WeakPolarHBondContact O-CB 3.43Å; L486-Q489 PolarHBondContact O-N 3.41Å; I487-Q489 VanDerWaalsContact C-N 3.31Å; I487-Q489 PolarHBondContact O-N 2.79Å; Q489-T492 PolarHBondContact O-N 3.04Å; Q489-K493 WeakPolarHBondContact O-CG 3.39Å; Q489-K493 PolarHBondContact O-N 3.45Å
490H83.4Confident79.9Confident39 Ų3983.4 Ų83.418%0.18140%0.403CS..Hα-helixtrans-67.7-36.5176.2-79.9-73.5000112.5L486 I487 K493 L494 H516 I520L486-H490 PolarHBondContact O-CD2 3.05Å; L486-H490 VanDerWaalsContact O-CD2 3.25Å; L486-H490 PolarHBondContact O-N 3.1Å; I487-H490 PolarHBondContact O-N 3.16Å; H490-K493 PolarHBondContact O-N 2.88Å; H490-L494 WeakPolarHBondContact O-CB 3.29Å; H490-L494 WeakPolarHBondContact O-CG 3.13Å; H490-L494 PolarHBondContact O-N 3.11Å; H490-H516 AromaticContact CE1-ND1 3.69Å; H490-H516 AromaticContact ND1-CE1 3.78Å; H490-H516 AromaticContact ND1-CG 3.96Å; H490-H516 AromaticContact ND1-ND1 3.16Å; H490-H516 PolarHBondContact ND1-ND1 3.32Å; H490-H516 VanDerWaalsContact ND1-ND1 3.16Å; H490-I520 HydrophobicContact CB-CD1 3.96Å; H490-I520 HydrophobicContact CB-CG1 3.73Å
491Q83.9Confident78.4Confident83 Ų8381.2 Ų81.239%0.38840%0.402SS..Hα-helixtrans-65.9-41.4174.2-75.5178.9-17.100112.1I487 L488 L494 N495 I520I487-Q491 HydrophobicContact CG2-CG 4.29Å; I487-Q491 WeakPolarHBondContact O-CB 3.21Å; I487-Q491 WeakPolarHBondContact O-CG 3.37Å; I487-Q491 PolarHBondContact O-N 2.87Å; L488-Q491 PolarHBondContact O-N 3.46Å; Q491-L494 PolarHBondContact O-N 3.13Å; Q491-N495 VanDerWaalsContact O-CG 3.31Å; Q491-N495 PolarHBondContact O-N 3.23Å; Q491-N495 PolarHBondContact O-OD1 2.94Å; Q491-I520 HydrophobicContact CG-CD1 3.93Å
492T82.9Confident76.8Confident77 Ų7778.7 Ų78.747%0.47241%0.408SS..Hα-helixtrans-61.5-45.7174.2-56.20000110.9L488 Q489 L494 N495 E496L488-T492 PolarHBondContact O-N 2.87Å; L488-T492 PolarHBondContact O-OG1 2.78Å; Q489-T492 PolarHBondContact O-N 3.04Å; T492-L494 PolarHBondContact O-N 2.97Å; T492-N495 PolarHBondContact O-N 3.32Å; T492-E496 WeakPolarHBondContact O-CG 3.49Å; T492-E496 PolarHBondContact O-N 3.36Å
493K80.7Confident75Confident103 Ų10374.8 Ų74.845%0.44841%0.409SS..Hα-helixtrans-61.9-39.9175.5-72.4179.6178.9-175.60113.1Q489 H490 N495 E496 C497Q489-K493 WeakPolarHBondContact O-CG 3.39Å; Q489-K493 PolarHBondContact O-N 3.45Å; H490-K493 PolarHBondContact O-N 2.88Å; K493-N495 VanDerWaalsContact C-N 3.33Å; K493-N495 PolarHBondContact O-N 2.86Å; K493-E496 WeakPolarHBondContact O-CB 3.42Å; K493-E496 PolarHBondContact O-N 3.47Å; K493-C497 PolarHBondContact O-N 3.46Å; K493-C497 PolarHBondContact O-SG 2.94Å
494L80.1Confident73.1Confident18 Ų1877.5 Ų77.59%0.09443%0.434CS..Hα-helixtrans-61.6-41.1174.1-85.4170.9000112H490 Q491 T492 C497 N498 E513 H516 K517 I520H490-L494 WeakPolarHBondContact O-CB 3.29Å; H490-L494 WeakPolarHBondContact O-CG 3.13Å; H490-L494 PolarHBondContact O-N 3.11Å; Q491-L494 PolarHBondContact O-N 3.13Å; T492-L494 PolarHBondContact O-N 2.97Å; L494-C497 PolarHBondContact O-N 3.12Å; L494-N498 WeakPolarHBondContact O-CB 3.22Å; L494-N498 VanDerWaalsContact O-CG 3.32Å; L494-N498 PolarHBondContact O-N 2.88Å; L494-E513 HydrophobicContact CD2-CB 4.24Å; L494-E513 HydrophobicContact CD2-CG 4.09Å; L494-H516 HydrophobicContact CD1-CB 4.1Å; L494-H516 HydrophobicContact CD2-CB 3.72Å; L494-H516 HydrophobicContact CG-CB 3.71Å; L494-K517 HydrophobicContact CD1-CG 4.19Å; L494-K517 HydrophobicContact CD2-CG 4.42Å; L494-I520 HydrophobicContact CD1-CD1 3.48Å; L494-I520 VanDerWaalsContact CD1-CD1 3.48Å
495N77.8Confident71.5Confident98 Ų9878.5 Ų78.552%0.52445%0.45SS..Hα-helixtrans-66.4-40.3175.7-67.7-8.2000111.4Q491 T492 K493 N498 E499Q491-N495 VanDerWaalsContact O-CG 3.31Å; Q491-N495 PolarHBondContact O-N 3.23Å; Q491-N495 PolarHBondContact O-OD1 2.94Å; T492-N495 PolarHBondContact O-N 3.32Å; K493-N495 VanDerWaalsContact C-N 3.33Å; K493-N495 PolarHBondContact O-N 2.86Å; N495-N498 PolarHBondContact O-N 3.42Å; N495-E499 WeakPolarHBondContact O-CG 3.49Å; N495-E499 PolarHBondContact O-N 3.03Å
496E75.2Confident69.8Low102 Ų10283.1 Ų83.148%0.47747%0.472SS..Hα-helixtrans-60.7-43.9173.7-70.2171.2176.500111.5T492 K493 E499 S500T492-E496 WeakPolarHBondContact O-CG 3.49Å; T492-E496 PolarHBondContact O-N 3.36Å; K493-E496 WeakPolarHBondContact O-CB 3.42Å; K493-E496 PolarHBondContact O-N 3.47Å; E496-E499 PolarHBondContact O-N 3.42Å; E496-S500 WeakPolarHBondContact O-CB 3.23Å; E496-S500 PolarHBondContact O-N 3.31Å; E496-S500 PolarHBondContact O-OG 3.41Å
497C68.9Low68.3Low37 Ų3787.1 Ų87.125%0.2549%0.494CS..Hα-helixtrans-61.8-42.8173.9-73.50000112.1K493 L494 S500 S501K493-C497 PolarHBondContact O-N 3.46Å; K493-C497 PolarHBondContact O-SG 2.94Å; L494-C497 PolarHBondContact O-N 3.12Å; C497-S500 PolarHBondContact O-N 2.8Å; C497-S501 WeakPolarHBondContact O-CB 3.35Å; C497-S501 PolarHBondContact O-N 3.37Å; C497-S501 PolarHBondContact O-OG 2.89Å
498N67.3Low66.7Low86 Ų8692.4 Ų92.446%0.4652%0.522SS..Hα-helixtrans-65.3-41.4178.7-76.7-11.9000112.6L494 N495 S500 S501 E513L494-N498 WeakPolarHBondContact O-CB 3.22Å; L494-N498 VanDerWaalsContact O-CG 3.32Å; L494-N498 PolarHBondContact O-N 2.88Å; N495-N498 PolarHBondContact O-N 3.42Å; N498-S500 VanDerWaalsContact C-N 3.33Å; N498-S501 PolarHBondContact O-N 2.89Å; N498-E513 PolarHBondContact OD1-OE1 3.39Å
499E63.1Low65.3Low157 Ų15789 Ų8973%0.73451%0.507SS*.Hα-helixtrans-66.6-37176.1-72.6-176.2177.800111.6N495 E496 S501 S502N495-E499 WeakPolarHBondContact O-CG 3.49Å; N495-E499 PolarHBondContact O-N 3.03Å; E496-E499 PolarHBondContact O-N 3.42Å; E499-S501 VanDerWaalsContact C-N 3.33Å; E499-S501 PolarHBondContact O-N 3.43Å; E499-S502 PolarHBondContact O-OG 3.33Å; E499-S502 VanDerWaalsContact O-OG 3.1Å
500S56.5Low64.1Low79 Ų7988.2 Ų88.255%0.55251%0.506SS*.Hα-helixtrans-70-26176-510000113.5E496 C497 N498 S502 S503E496-S500 WeakPolarHBondContact O-CB 3.23Å; E496-S500 PolarHBondContact O-N 3.31Å; E496-S500 PolarHBondContact O-OG 3.41Å; C497-S500 PolarHBondContact O-N 2.8Å; N498-S500 VanDerWaalsContact C-N 3.33Å; S500-S502 PolarHBondContact O-N 2.97Å; S500-S502 VanDerWaalsContact O-N 3.17Å; S500-S503 PolarHBondContact O-N 3.37Å
501S52.2Low63.4Low52 Ų5290.9 Ų90.936%0.36452%0.522SS..G310 helixtrans-75.30.5-174.1-66.10000114.6C497 N498 E499 S503C497-S501 WeakPolarHBondContact O-CB 3.35Å; C497-S501 PolarHBondContact O-N 3.37Å; C497-S501 PolarHBondContact O-OG 2.89Å; N498-S501 PolarHBondContact O-N 2.89Å; E499-S501 VanDerWaalsContact C-N 3.33Å; E499-S501 PolarHBondContact O-N 3.43Å; S501-S503 PolarHBondContact O-N 3.35Å
502S51.8Low62.8Low108 Ų10889 Ų8976%0.75552%0.518SS*.G310 helixtrans-65.2-9.9165.254.40000113E499 S500E499-S502 PolarHBondContact O-OG 3.33Å; E499-S502 VanDerWaalsContact O-OG 3.1Å; S500-S502 PolarHBondContact O-N 2.97Å; S500-S502 VanDerWaalsContact O-N 3.17Å
503S51Low62.5Low104 Ų10486.6 Ų86.673%0.72750%0.501SS*.G310 helixtrans-157.348.5-179.852.80000117S500 S501S500-S503 PolarHBondContact O-N 3.37Å; S501-S503 PolarHBondContact O-N 3.35Å
504A45.8Very low62.4Low71 Ų7184.4 Ų84.459%0.58750%0.499SS*.SBendtrans-164.9135.1162.100000115.7
505S50.7Low62.5Low101 Ų10189 Ų8971%0.70652%0.52SS*.  trans16114160.6-60.70000119.9N507 S509S505-N507 VanDerWaalsContact C-N 3.33Å; S505-N507 PolarHBondContact O-N 3Å; S505-S509 PolarHBondContact O-OG 2.86Å
506L52.7Low62.6Low141 Ų14186 Ų8674%0.73850%0.503SS*.THydrogen-bonded Turntrans-68.3-7.4-172-70.9160.5000117.3N510L506-N510 PolarHBondContact O-ND2 2.88Å
507N53.9Low63Low140 Ų14086.5 Ų86.575%0.74950%0.503SS*.THydrogen-bonded Turntrans-101.1-47.5-171.1-73.10.3000114.5S505S505-N507 VanDerWaalsContact C-N 3.33Å; S505-N507 PolarHBondContact O-N 3Å
508D54.3Low63.7Low134 Ų13491.4 Ų91.472%0.71752%0.522SS*.Hα-helixtrans-76-26.9179.6-91.9-26.6000113.3S512D508-S512 PolarHBondContact O-N 2.84Å; D508-S512 PolarHBondContact O-OG 2.94Å
509S54.2Low64.6Low33 Ų3389.1 Ų89.123%0.23151%0.513CS..Hα-helixtrans-73.8-34.7-178.4-50.80000112.3S505 D511 S512 E513S505-S509 PolarHBondContact O-OG 2.86Å; S509-D511 VanDerWaalsContact C-N 3.31Å; S509-D511 PolarHBondContact O-N 3.15Å; S509-S512 WeakPolarHBondContact CA-OG 3.42Å; S509-S512 PolarHBondContact O-N 3.45Å; S509-S512 PolarHBondContact O-OG 3.4Å; S509-S512 VanDerWaalsContact O-OG 3.12Å; S509-E513 WeakPolarHBondContact O-CB 3.2Å; S509-E513 PolarHBondContact O-N 3.05Å
510N60.1Low65.6Low90 Ų9082.3 Ų82.348%0.48148%0.482SS..Hα-helixtrans-66.6-34.4176.5-80.1-22.4000111.9L506 S514L506-N510 PolarHBondContact O-ND2 2.88Å; N510-S514 WeakPolarHBondContact O-CB 3.03Å; N510-S514 PolarHBondContact O-N 3.06Å; N510-S514 PolarHBondContact O-OG 2.79Å
511D68.5Low66.9Low95 Ų9583.8 Ų83.851%0.50848%0.48SS..Hα-helixtrans-70.5-41.6177.3-76.7-4.9000111.6S509 S514 Q515S509-D511 VanDerWaalsContact C-N 3.31Å; S509-D511 PolarHBondContact O-N 3.15Å; D511-S514 WeakPolarHBondContact CA-OG 3.31Å; D511-S514 PolarHBondContact O-OG 3.3Å; D511-Q515 VanDerWaalsContact O-CB 3.31Å; D511-Q515 WeakPolarHBondContact O-CB 3.33Å; D511-Q515 WeakPolarHBondContact O-CG 3.1Å; D511-Q515 PolarHBondContact O-N 3.33Å
512S71.6Confident68.4Low42 Ų4284.2 Ų84.229%0.29448%0.483SS..Hα-helixtrans-71.7-38.7177.841.40000112.8D508 S509 H516D508-S512 PolarHBondContact O-N 2.84Å; D508-S512 PolarHBondContact O-OG 2.94Å; S509-S512 WeakPolarHBondContact CA-OG 3.42Å; S509-S512 PolarHBondContact O-N 3.45Å; S509-S512 PolarHBondContact O-OG 3.4Å; S509-S512 VanDerWaalsContact O-OG 3.12Å; S512-H516 PolarHBondContact O-CD2 3.44Å; S512-H516 VanDerWaalsContact O-CD2 3.31Å; S512-H516 PolarHBondContact O-N 2.95Å
513E76.1Confident69.9Low27 Ų2780.6 Ų80.613%0.12646%0.455CS..Hα-helixtrans-63.6-45.3171.3-83-168.6-149.900112.8L494 N498 S509 H516 K517L494-E513 HydrophobicContact CD2-CB 4.24Å; L494-E513 HydrophobicContact CD2-CG 4.09Å; N498-E513 PolarHBondContact OD1-OE1 3.39Å; S509-E513 WeakPolarHBondContact O-CB 3.2Å; S509-E513 PolarHBondContact O-N 3.05Å; E513-H516 PolarHBondContact O-N 3.18Å; E513-K517 WeakPolarHBondContact O-CB 3.27Å; E513-K517 WeakPolarHBondContact O-CG 3.38Å; E513-K517 PolarHBondContact O-N 2.9Å; E513-K517 IonicContact OE2-NZ 2.72Å; E513-K517 PolarHBondContact OE2-NZ 2.98Å
514S77.8Confident71.3Confident57 Ų5781 Ų8140%0.39944%0.443SS..Hα-helixtrans-64.8-42.8179590000111N510 D511 H516 K517 E518N510-S514 WeakPolarHBondContact O-CB 3.03Å; N510-S514 PolarHBondContact O-N 3.06Å; N510-S514 PolarHBondContact O-OG 2.79Å; D511-S514 WeakPolarHBondContact CA-OG 3.31Å; D511-S514 PolarHBondContact O-OG 3.3Å; S514-H516 VanDerWaalsContact C-N 3.32Å; S514-H516 PolarHBondContact O-N 2.97Å; S514-K517 PolarHBondContact O-N 2.89Å; S514-E518 WeakPolarHBondContact O-CB 3.43Å; S514-E518 PolarHBondContact O-N 3.5Å
515Q82.3Confident73Confident115 Ų11581.5 Ų81.554%0.53744%0.443SS..Hα-helixtrans-58.3-41.6172.8-77172.82000112.4D511 S519D511-Q515 VanDerWaalsContact O-CB 3.31Å; D511-Q515 WeakPolarHBondContact O-CB 3.33Å; D511-Q515 WeakPolarHBondContact O-CG 3.1Å; D511-Q515 PolarHBondContact O-N 3.33Å; Q515-S519 VanDerWaalsContact O-CB 3.25Å; Q515-S519 WeakPolarHBondContact O-CB 3.31Å; Q515-S519 PolarHBondContact O-N 3.15Å; Q515-S519 PolarHBondContact O-OG 3.04Å
516H80.9Confident74.6Confident36 Ų3679.3 Ų79.317%0.16743%0.427CS..Hα-helixtrans-70-38.3176.9-74.6-30.1000112.8H490 L494 S512 E513 S514 S519 I520H490-H516 AromaticContact CE1-ND1 3.69Å; H490-H516 AromaticContact ND1-CE1 3.78Å; H490-H516 AromaticContact ND1-CG 3.96Å; H490-H516 AromaticContact ND1-ND1 3.16Å; H490-H516 PolarHBondContact ND1-ND1 3.32Å; H490-H516 VanDerWaalsContact ND1-ND1 3.16Å; L494-H516 HydrophobicContact CD1-CB 4.1Å; L494-H516 HydrophobicContact CD2-CB 3.72Å; L494-H516 HydrophobicContact CG-CB 3.71Å; S512-H516 PolarHBondContact O-CD2 3.44Å; S512-H516 VanDerWaalsContact O-CD2 3.31Å; S512-H516 PolarHBondContact O-N 2.95Å; E513-H516 PolarHBondContact O-N 3.18Å; S514-H516 VanDerWaalsContact C-N 3.32Å; S514-H516 PolarHBondContact O-N 2.97Å; H516-S519 PolarHBondContact O-N 3.44Å; H516-I520 VanDerWaalsContact O-CG1 3.27Å; H516-I520 WeakPolarHBondContact O-CG1 3.46Å; H516-I520 PolarHBondContact O-N 3.45Å
517K83.8Confident75.9Confident111 Ų11174 Ų7448%0.48340%0.4SS..Hα-helixtrans-63.9-43.4173.4-73.1165.7-174.8155.40111.1L494 E513 S514 I520 E521L494-K517 HydrophobicContact CD1-CG 4.19Å; L494-K517 HydrophobicContact CD2-CG 4.42Å; E513-K517 WeakPolarHBondContact O-CB 3.27Å; E513-K517 WeakPolarHBondContact O-CG 3.38Å; E513-K517 PolarHBondContact O-N 2.9Å; E513-K517 IonicContact OE2-NZ 2.72Å; E513-K517 PolarHBondContact OE2-NZ 2.98Å; S514-K517 PolarHBondContact O-N 2.89Å; K517-I520 PolarHBondContact O-N 3.16Å; K517-E521 PolarHBondContact O-N 3.01Å
518E83.4Confident77.4Confident140 Ų14070.5 Ų70.565%0.65438%0.383SS*.Hα-helixtrans-66.4-39.3175.6-171.8179.5-172.100112S514 I520 E521 S522S514-E518 WeakPolarHBondContact O-CB 3.43Å; S514-E518 PolarHBondContact O-N 3.5Å; E518-I520 VanDerWaalsContact C-N 3.32Å; E518-I520 PolarHBondContact O-N 2.86Å; E518-E521 PolarHBondContact O-N 3.22Å; E518-S522 WeakPolarHBondContact O-CB 3.28Å; E518-S522 PolarHBondContact O-N 3.33Å; E518-S522 PolarHBondContact O-OG 2.96Å
519S84.9Confident78.8Confident39 Ų3969.3 Ų69.327%0.27338%0.383SS..Hα-helixtrans-61.5-40.3172.7-62.80000111.4Q515 H516 S522 L523Q515-S519 VanDerWaalsContact O-CB 3.25Å; Q515-S519 WeakPolarHBondContact O-CB 3.31Å; Q515-S519 PolarHBondContact O-N 3.15Å; Q515-S519 PolarHBondContact O-OG 3.04Å; H516-S519 PolarHBondContact O-N 3.44Å; S519-S522 VanDerWaalsContact CA-OG 3.29Å; S519-S522 WeakPolarHBondContact CA-OG 3.48Å; S519-S522 PolarHBondContact O-OG 3.49Å; S519-L523 VanDerWaalsContact O-CB 3.29Å; S519-L523 WeakPolarHBondContact O-CB 3.3Å; S519-L523 WeakPolarHBondContact O-CD1 3.34Å; S519-L523 WeakPolarHBondContact O-CG 3.27Å; S519-L523 PolarHBondContact O-N 3.27Å
520I84.7Confident80.3Confident13 Ų1370.6 Ų70.67%0.06740%0.396CS..Hα-helixtrans-66.1-42175.7-71.8166.8000110.9H490 Q491 L494 H516 K517 E518 L523 K524H490-I520 HydrophobicContact CB-CD1 3.96Å; H490-I520 HydrophobicContact CB-CG1 3.73Å; Q491-I520 HydrophobicContact CG-CD1 3.93Å; L494-I520 HydrophobicContact CD1-CD1 3.48Å; L494-I520 VanDerWaalsContact CD1-CD1 3.48Å; H516-I520 VanDerWaalsContact O-CG1 3.27Å; H516-I520 WeakPolarHBondContact O-CG1 3.46Å; H516-I520 PolarHBondContact O-N 3.45Å; K517-I520 PolarHBondContact O-N 3.16Å; E518-I520 VanDerWaalsContact C-N 3.32Å; E518-I520 PolarHBondContact O-N 2.86Å; I520-L523 PolarHBondContact O-N 3.31Å; I520-K524 HydrophobicContact CG2-CD 4.25Å; I520-K524 WeakPolarHBondContact O-CG 3.44Å; I520-K524 PolarHBondContact O-N 2.63Å
521E83.9Confident81.5Confident111 Ų11168.4 Ų68.452%0.51938%0.383SS..Hα-helixtrans-70.3-39-179.3-164.956.9-150.100112.4K517 E518 K524 S525K517-E521 PolarHBondContact O-N 3.01Å; E518-E521 PolarHBondContact O-N 3.22Å; E521-K524 PolarHBondContact O-N 3.22Å; E521-S525 WeakPolarHBondContact O-CB 3.41Å; E521-S525 PolarHBondContact O-N 3.19Å; E521-S525 PolarHBondContact O-OG 3.41Å
522S84.5Confident82.3Confident61 Ų6168.4 Ų68.443%0.42738%0.382SS..Hα-helixtrans-64.4-40.5171.856.20000112E518 S519 S525 S526E518-S522 WeakPolarHBondContact O-CB 3.28Å; E518-S522 PolarHBondContact O-N 3.33Å; E518-S522 PolarHBondContact O-OG 2.96Å; S519-S522 VanDerWaalsContact CA-OG 3.29Å; S519-S522 WeakPolarHBondContact CA-OG 3.48Å; S519-S522 PolarHBondContact O-OG 3.49Å; S522-S525 WeakPolarHBondContact CA-OG 3.33Å; S522-S525 PolarHBondContact O-N 3.24Å; S522-S525 PolarHBondContact O-OG 3.47Å; S522-S525 VanDerWaalsContact O-OG 3.06Å; S522-S526 WeakPolarHBondContact O-CB 3.33Å; S522-S526 PolarHBondContact O-N 3.32Å
523L82.9Confident83.1Confident31 Ų3171.3 Ų71.316%0.16239%0.394CS..Hα-helixtrans-64.6-40.2174.3-75172.4000112.2I483 L486 I487 S519 I520 S526I483-L523 HydrophobicContact CG2-CB 4.32Å; L486-L523 HydrophobicContact CB-CD1 3.87Å; L486-L523 HydrophobicContact CD1-CD2 4.24Å; I487-L523 HydrophobicContact CD1-CB 4.39Å; I487-L523 HydrophobicContact CG1-CB 4.03Å; I487-L523 HydrophobicContact CG1-CD1 4.19Å; S519-L523 VanDerWaalsContact O-CB 3.29Å; S519-L523 WeakPolarHBondContact O-CB 3.3Å; S519-L523 WeakPolarHBondContact O-CD1 3.34Å; S519-L523 WeakPolarHBondContact O-CG 3.27Å; S519-L523 PolarHBondContact O-N 3.27Å; I520-L523 PolarHBondContact O-N 3.31Å; L523-S526 PolarHBondContact O-N 2.92Å; L523-S526 PolarHBondContact O-OG 3.15Å
524K81.4Confident83.6Confident112 Ų11274.5 Ų74.549%0.48741%0.409SS..Hα-helixtrans-65.1-41.9175.3-75.6173.8-177.21730112.3I487 I520 E521 S526I487-K524 HydrophobicContact CD1-CG 4.13Å; I520-K524 HydrophobicContact CG2-CD 4.25Å; I520-K524 WeakPolarHBondContact O-CG 3.44Å; I520-K524 PolarHBondContact O-N 2.63Å; E521-K524 PolarHBondContact O-N 3.22Å; K524-S526 VanDerWaalsContact C-N 3.3Å; K524-S526 PolarHBondContact O-N 3.1Å
525S81Confident84Confident83 Ų8372.3 Ų72.358%0.5839%0.393SS*.Hα-helixtrans-75.9-15.4178.955.30000113.8E521 S522 I527E521-S525 WeakPolarHBondContact O-CB 3.41Å; E521-S525 PolarHBondContact O-N 3.19Å; E521-S525 PolarHBondContact O-OG 3.41Å; S522-S525 WeakPolarHBondContact CA-OG 3.33Å; S522-S525 PolarHBondContact O-N 3.24Å; S522-S525 PolarHBondContact O-OG 3.47Å; S522-S525 VanDerWaalsContact O-OG 3.06Å; S525-I527 PolarHBondContact O-N 3.5Å
526S83Confident84.2Confident54 Ų5470.1 Ų70.138%0.37839%0.387SS..THydrogen-bonded Turntrans-65.9-19.1175.876.30000114.2I483 S522 L523 K524I483-S526 WeakPolarHBondContact CD1-OG 3.36Å; S522-S526 WeakPolarHBondContact O-CB 3.33Å; S522-S526 PolarHBondContact O-N 3.32Å; L523-S526 PolarHBondContact O-N 2.92Å; L523-S526 PolarHBondContact O-OG 3.15Å; K524-S526 VanDerWaalsContact C-N 3.3Å; K524-S526 PolarHBondContact O-N 3.1Å
527I81.2Confident84.7Confident31 Ų3172.1 Ų72.116%0.15940%0.402CS..SBendtrans-89.7116.6170.3-56.9178.9000107.5I483 S525 E531 L532I483-I527 HydrophobicContact CD1-CD1 3.86Å; I483-I527 HydrophobicContact CD1-CG1 3.49Å; I483-I527 VanDerWaalsContact CD1-CG1 3.49Å; I483-I527 HydrophobicContact CG2-CD1 4.34Å; S525-I527 PolarHBondContact O-N 3.5Å; I527-E531 HydrophobicContact CG2-CB 3.97Å; I527-L532 HydrophobicContact CG2-CB 4.24Å
528T84.7Confident84.9Confident65 Ų6567 Ų6740%0.39938%0.38SS..  trans-64.8148.6178.463.70000110.5A530 E531 L532T528-A530 PolarHBondContact O-N 3.26Å; T528-A530 VanDerWaalsContact O-N 3.11Å; T528-E531 PolarHBondContact N-OE2 3.13Å; T528-E531 PolarHBondContact O-N 3.49Å; T528-E531 WeakPolarHBondContact OG1-CB 3.46Å; T528-E531 WeakPolarHBondContact OG1-CG 3.38Å; T528-E531 PolarHBondContact OG1-N 3.37Å; T528-E531 PolarHBondContact OG1-OE2 3.25Å; T528-L532 PolarHBondContact O-N 3.19Å
529P84.3Confident85.1Confident110 Ų11063 Ų6371%0.71437%0.367SS*.Hα-helixtrans-55.7-31.3175.5-27.435000113.3N533P529-N533 WeakPolarHBondContact O-CB 3.42Å; P529-N533 PolarHBondContact O-N 2.88Å
530A85.7Confident85.4Confident60 Ų6065.5 Ų65.550%0.49638%0.378SS..Hα-helixtrans-66.3-45175.200000112.3T528 N533 Q534T528-A530 PolarHBondContact O-N 3.26Å; T528-A530 VanDerWaalsContact O-N 3.11Å; A530-N533 PolarHBondContact O-N 3.39Å; A530-Q534 WeakPolarHBondContact O-CG 3.38Å; A530-Q534 PolarHBondContact O-N 3.08Å
531E86Confident85.7Confident44 Ų4468.5 Ų68.521%0.20639%0.39CS..Hα-helixtrans-64.6-40.7174.8-71.8165145.600111.4L476 I527 T528 N533 Q534 L535L476-E531 HydrophobicContact CD2-CB 4.23Å; L476-E531 HydrophobicContact CD2-CG 3.81Å; I527-E531 HydrophobicContact CG2-CB 3.97Å; T528-E531 PolarHBondContact N-OE2 3.13Å; T528-E531 PolarHBondContact O-N 3.49Å; T528-E531 WeakPolarHBondContact OG1-CB 3.46Å; T528-E531 WeakPolarHBondContact OG1-CG 3.38Å; T528-E531 PolarHBondContact OG1-N 3.37Å; T528-E531 PolarHBondContact OG1-OE2 3.25Å; E531-N533 VanDerWaalsContact C-N 3.31Å; E531-N533 PolarHBondContact O-N 2.95Å; E531-Q534 PolarHBondContact O-N 3.12Å; E531-L535 WeakPolarHBondContact O-CB 3.36Å; E531-L535 WeakPolarHBondContact O-CG 3.14Å; E531-L535 PolarHBondContact O-N 3.1Å
532L84.4Confident86Confident95 Ų9564.7 Ų64.750%0.49737%0.373SS..Hα-helixtrans-60.1-42.7175.3-171.171.2000111.3I527 T528 L535 T536I527-L532 HydrophobicContact CG2-CB 4.24Å; T528-L532 PolarHBondContact O-N 3.19Å; L532-L535 PolarHBondContact O-N 3.03Å; L532-T536 WeakPolarHBondContact O-CB 3.34Å; L532-T536 PolarHBondContact O-N 3.39Å; L532-T536 PolarHBondContact O-OG1 3.09Å
533N88.2Confident86.3Confident103 Ų10364.9 Ų64.955%0.55137%0.374SS*.Hα-helixtrans-63.6-44.8174.3-171.931.6000111.5P529 A530 E531 L535 T536 V537P529-N533 WeakPolarHBondContact O-CB 3.42Å; P529-N533 PolarHBondContact O-N 2.88Å; A530-N533 PolarHBondContact O-N 3.39Å; E531-N533 VanDerWaalsContact C-N 3.31Å; E531-N533 PolarHBondContact O-N 2.95Å; N533-L535 VanDerWaalsContact C-N 3.3Å; N533-L535 PolarHBondContact O-N 2.93Å; N533-T536 PolarHBondContact O-N 3.13Å; N533-T536 VanDerWaalsContact O-N 3.17Å; N533-V537 WeakPolarHBondContact O-CG2 3.19Å; N533-V537 PolarHBondContact O-N 3.24Å
534Q87.4Confident86.8Confident94 Ų9470.7 Ų70.744%0.43940%0.398SS..Hα-helixtrans-61.3-37.5176.7-72.1-178.910.500113K473 L476 A530 E531 L538K473-Q534 PolarHBondContact NZ-O 2.83Å; L476-Q534 HydrophobicContact CD1-CB 4.35Å; A530-Q534 WeakPolarHBondContact O-CG 3.38Å; A530-Q534 PolarHBondContact O-N 3.08Å; E531-Q534 PolarHBondContact O-N 3.12Å; Q534-L538 WeakPolarHBondContact O-CB 3.12Å; Q534-L538 PolarHBondContact O-N 2.89Å
535L85.6Confident87.4Confident11 Ų1166.5 Ų66.56%0.05838%0.381CS..Hα-helixtrans-68.4-39.3174.9-77.1167.2000111.5L476 I477 R480 E531 L532 N533 L538 S539L476-L535 HydrophobicContact CB-CD2 3.83Å; L476-L535 HydrophobicContact CB-CG 4.28Å; I477-L535 HydrophobicContact CG1-CD2 4.39Å; R480-L535 HydrophobicContact CB-CD1 4.27Å; E531-L535 WeakPolarHBondContact O-CB 3.36Å; E531-L535 WeakPolarHBondContact O-CG 3.14Å; E531-L535 PolarHBondContact O-N 3.1Å; L532-L535 PolarHBondContact O-N 3.03Å; N533-L535 VanDerWaalsContact C-N 3.3Å; N533-L535 PolarHBondContact O-N 2.93Å; L535-L538 PolarHBondContact O-N 2.92Å; L535-S539 WeakPolarHBondContact O-CB 3.4Å; L535-S539 PolarHBondContact O-N 3.49Å
536T87.5Confident87.9Confident68 Ų6866.9 Ų66.942%0.41738%0.376SS..Hα-helixtrans-65-45.7176.3-580000110.9L532 N533 L538 S539 N540L532-T536 WeakPolarHBondContact O-CB 3.34Å; L532-T536 PolarHBondContact O-N 3.39Å; L532-T536 PolarHBondContact O-OG1 3.09Å; N533-T536 PolarHBondContact O-N 3.13Å; N533-T536 VanDerWaalsContact O-N 3.17Å; T536-L538 VanDerWaalsContact C-N 3.32Å; T536-L538 PolarHBondContact O-N 3.43Å; T536-S539 PolarHBondContact O-N 3.1Å; T536-N540 WeakPolarHBondContact O-CB 3.42Å; T536-N540 VanDerWaalsContact O-CG 3.32Å; T536-N540 PolarHBondContact O-N 3.08Å; T536-N540 PolarHBondContact O-ND2 3.31Å
537V89.6Confident88.3Confident78 Ų7868.3 Ų68.347%0.47338%0.379SS..Hα-helixtrans-60-42.2174.1172.50000111.2N533 K541N533-V537 WeakPolarHBondContact O-CG2 3.19Å; N533-V537 PolarHBondContact O-N 3.24Å; V537-K541 WeakPolarHBondContact O-CB 3.46Å; V537-K541 PolarHBondContact O-N 3.05Å
538L88.2Confident88.8Confident5 Ų569.6 Ų69.63%0.02639%0.391CS..Hα-helixtrans-63.2-48.6175.5-178.162.6000111.6E469 K473 I477 Q534 L535 T536 N540 K541 L542E469-L538 HydrophobicContact CB-CD1 4.05Å; K473-L538 HydrophobicContact CB-CD2 3.59Å; K473-L538 HydrophobicContact CD-CB 3.76Å; K473-L538 HydrophobicContact CD-CD1 3.96Å; K473-L538 HydrophobicContact CD-CD2 3.6Å; K473-L538 HydrophobicContact CD-CG 3.94Å; K473-L538 HydrophobicContact CG-CD2 4.2Å; I477-L538 HydrophobicContact CD1-CD2 3.74Å; I477-L538 HydrophobicContact CG1-CD2 4.05Å; Q534-L538 WeakPolarHBondContact O-CB 3.12Å; Q534-L538 PolarHBondContact O-N 2.89Å; L535-L538 PolarHBondContact O-N 2.92Å; T536-L538 VanDerWaalsContact C-N 3.32Å; T536-L538 PolarHBondContact O-N 3.43Å; L538-N540 VanDerWaalsContact C-N 3.3Å; L538-N540 PolarHBondContact O-N 2.82Å; L538-K541 PolarHBondContact O-N 2.81Å; L538-K541 VanDerWaalsContact O-N 3.09Å; L538-L542 HydrophobicContact CD1-CD1 4.15Å; L538-L542 HydrophobicContact CD1-CG 4.04Å; L538-L542 HydrophobicContact CD2-CD1 4.29Å; L538-L542 HydrophobicContact CG-CD1 3.85Å; L538-L542 HydrophobicContact CG-CG 4.17Å; L538-L542 WeakPolarHBondContact O-CG 3.46Å; L538-L542 PolarHBondContact O-N 2.94Å
539S88.3Confident89.2Confident55 Ų5567.2 Ų67.239%0.38538%0.375SS..Hα-helixtrans-57.1-44.6179.1-175.20000111.5L535 T536 K541 L542 S543L535-S539 WeakPolarHBondContact O-CB 3.4Å; L535-S539 PolarHBondContact O-N 3.49Å; T536-S539 PolarHBondContact O-N 3.1Å; S539-K541 VanDerWaalsContact C-N 3.34Å; S539-K541 PolarHBondContact O-N 3.14Å; S539-L542 PolarHBondContact O-N 2.96Å; S539-S543 WeakPolarHBondContact O-CB 3.27Å; S539-S543 PolarHBondContact O-N 2.89Å; S539-S543 PolarHBondContact O-OG 3.06Å
540N90.7Very high89.5Confident92 Ų9265.4 Ų65.449%0.49235%0.354SS..Hα-helixtrans-62.9-40.7175.9-72.6-19.9000111.9T536 L538 K544T536-N540 WeakPolarHBondContact O-CB 3.42Å; T536-N540 VanDerWaalsContact O-CG 3.32Å; T536-N540 PolarHBondContact O-N 3.08Å; T536-N540 PolarHBondContact O-ND2 3.31Å; L538-N540 VanDerWaalsContact C-N 3.3Å; L538-N540 PolarHBondContact O-N 2.82Å; N540-K544 WeakPolarHBondContact O-CG 3.41Å; N540-K544 PolarHBondContact O-N 2.96Å
541K91.2Very high89.8Confident75 Ų7567.6 Ų67.633%0.32635%0.352SS..Hα-helixtrans-68.2-44.1177.7-168.6173.4-176.5-179.80112.1E469 V537 L538 S539 K544 L545E469-K541 HydrophobicContact CG-CD 4.24Å; E469-K541 WeakPolarHBondContact OE1-CE 3.35Å; E469-K541 IonicContact OE1-NZ 3.93Å; E469-K541 PolarHBondContact OE1-NZ 2.91Å; E469-K541 WeakPolarHBondContact OE2-CD 3.23Å; E469-K541 VanDerWaalsContact OE2-CE 3.31Å; E469-K541 WeakPolarHBondContact OE2-CE 3.36Å; E469-K541 IonicContact OE2-NZ 3.31Å; E469-K541 PolarHBondContact OE2-NZ 3.39Å; V537-K541 WeakPolarHBondContact O-CB 3.46Å; V537-K541 PolarHBondContact O-N 3.05Å; L538-K541 PolarHBondContact O-N 2.81Å; L538-K541 VanDerWaalsContact O-N 3.09Å; S539-K541 VanDerWaalsContact C-N 3.34Å; S539-K541 PolarHBondContact O-N 3.14Å; K541-K544 PolarHBondContact O-N 2.65Å; K541-L545 WeakPolarHBondContact O-CG 3.2Å; K541-L545 PolarHBondContact O-N 3.1Å
542L90.6Very high90.1Very high31 Ų3166.5 Ų66.516%0.16235%0.35CS..Hα-helixtrans-62.8-42.6175.5-69.8175.3000111.3R466 E469 L538 S539 K544 L545 I546R466-L542 HydrophobicContact CG-CD2 4.02Å; E469-L542 HydrophobicContact CB-CD2 4.36Å; L538-L542 HydrophobicContact CD1-CD1 4.15Å; L538-L542 HydrophobicContact CD1-CG 4.04Å; L538-L542 HydrophobicContact CD2-CD1 4.29Å; L538-L542 HydrophobicContact CG-CD1 3.85Å; L538-L542 HydrophobicContact CG-CG 4.17Å; L538-L542 WeakPolarHBondContact O-CG 3.46Å; L538-L542 PolarHBondContact O-N 2.94Å; S539-L542 PolarHBondContact O-N 2.96Å; L542-K544 VanDerWaalsContact C-N 3.31Å; L542-K544 PolarHBondContact O-N 2.81Å; L542-L545 PolarHBondContact O-N 3.35Å; L542-L545 VanDerWaalsContact O-N 3.15Å; L542-I546 VanDerWaalsContact O-CG1 3.25Å; L542-I546 WeakPolarHBondContact O-CG1 3.32Å; L542-I546 PolarHBondContact O-N 3.17Å
543S90.9Very high90.5Very high65 Ų6562 Ų6246%0.45533%0.326SS..Hα-helixtrans-60.4-40.8175.9-59.70000112S539 N547S539-S543 WeakPolarHBondContact O-CB 3.27Å; S539-S543 PolarHBondContact O-N 2.89Å; S539-S543 PolarHBondContact O-OG 3.06Å; S543-N547 PolarHBondContact O-N 3.41Å; S543-N547 VanDerWaalsContact O-N 3.07Å
544K93.5Very high90.8Very high153 Ų15357.8 Ų57.867%0.66530%0.304SS*.Hα-helixtrans-63-46.1172.9-72.8176-178.2-175.70111.7N540 K541 L542 I546 N547 C548N540-K544 WeakPolarHBondContact O-CG 3.41Å; N540-K544 PolarHBondContact O-N 2.96Å; K541-K544 PolarHBondContact O-N 2.65Å; L542-K544 VanDerWaalsContact C-N 3.31Å; L542-K544 PolarHBondContact O-N 2.81Å; K544-I546 PolarHBondContact O-N 3.28Å; K544-N547 PolarHBondContact O-N 2.93Å; K544-C548 PolarHBondContact O-N 3.27Å; K544-C548 PolarHBondContact O-SG 2.65Å
545L93.4Very high91.1Very high24 Ų2453.9 Ų53.913%0.12629%0.288CS..Hα-helixtrans-62.3-41.6178.7-70.6171.9000112.2I462 R465 R466 E469 K541 L542 N547 C548 E549I462-L545 HydrophobicContact CG2-CB 4.36Å; I462-L545 HydrophobicContact CG2-CD2 4.3Å; I462-L545 WeakPolarHBondContact CG2-O 3.5Å; R465-L545 HydrophobicContact CG-CD1 4.25Å; R465-L545 HydrophobicContact CG-CD2 4.2Å; R466-L545 HydrophobicContact CB-CD1 4.21Å; E469-L545 HydrophobicContact CG-CD1 4.29Å; K541-L545 WeakPolarHBondContact O-CG 3.2Å; K541-L545 PolarHBondContact O-N 3.1Å; L542-L545 PolarHBondContact O-N 3.35Å; L542-L545 VanDerWaalsContact O-N 3.15Å; L545-N547 VanDerWaalsContact C-N 3.34Å; L545-N547 PolarHBondContact O-N 2.91Å; L545-C548 PolarHBondContact O-N 3.46Å; L545-E549 WeakPolarHBondContact O-CB 3.29Å; L545-E549 PolarHBondContact O-N 2.68Å
546I90.5Very high91.5Very high91 Ų9153.9 Ų53.947%0.46729%0.287SS..Hα-helixtrans-63-41.3176.2-68.1163.2000110.7L542 K544 E549 Y550L542-I546 VanDerWaalsContact O-CG1 3.25Å; L542-I546 WeakPolarHBondContact O-CG1 3.32Å; L542-I546 PolarHBondContact O-N 3.17Å; K544-I546 PolarHBondContact O-N 3.28Å; I546-E549 PolarHBondContact O-N 2.88Å; I546-Y550 PolarHBondContact O-N 3.26Å
547N91.9Very high91.8Very high84 Ų8450.7 Ų50.745%0.44927%0.267SS..Hα-helixtrans-66.2-40.8175.7-169.4-7.3000111.8S543 K544 L545 Y550 K551S543-N547 PolarHBondContact O-N 3.41Å; S543-N547 VanDerWaalsContact O-N 3.07Å; K544-N547 PolarHBondContact O-N 2.93Å; L545-N547 VanDerWaalsContact C-N 3.34Å; L545-N547 PolarHBondContact O-N 2.91Å; N547-Y550 WeakPolarHBondContact O-CB 3.2Å; N547-Y550 PolarHBondContact O-N 3.49Å; N547-K551 WeakPolarHBondContact O-CG 3.49Å; N547-K551 PolarHBondContact O-N 2.99Å
548C92.6Very high92.1Very high59 Ų5947 Ų4740%0.39925%0.245SC..Hα-helixtrans-61.6-44.6174.3-69.70000111.9I462 K544 L545 Y550 K551 C552I462-C548 HydrophobicContact CD1-CB 3.81Å; K544-C548 PolarHBondContact O-N 3.27Å; K544-C548 PolarHBondContact O-SG 2.65Å; L545-C548 PolarHBondContact O-N 3.46Å; C548-Y550 VanDerWaalsContact C-N 3.33Å; C548-Y550 PolarHBondContact O-N 3.26Å; C548-K551 PolarHBondContact O-N 2.99Å; C548-C552 PolarHBondContact O-N 3.42Å; C548-C552 PolarHBondContact O-SG 3.48Å
549E92.2Very high92.4Very high15 Ų1546.8 Ų46.87%0.0724%0.244CC..Hα-helixtrans-59.8-44175.8-176.7-176.3-154.200111.3I462 R466 L545 I546 K551 C552 H553I462-E549 HydrophobicContact CG2-CB 3.96Å; R466-E549 IonicContact CZ-OE1 2.9Å; R466-E549 IonicContact CZ-OE2 3.15Å; R466-E549 VanDerWaalsContact CZ-OE2 3.3Å; R466-E549 IonicContact NH1-OE1 2.75Å; R466-E549 PolarHBondContact NH1-OE1 2.99Å; R466-E549 IonicContact NH1-OE2 2.81Å; R466-E549 PolarHBondContact NH1-OE2 3Å; R466-E549 VanDerWaalsContact NH2-CD 3.34Å; R466-E549 IonicContact NH2-OE1 2.7Å; R466-E549 PolarHBondContact NH2-OE1 3.35Å; R466-E549 IonicContact NH2-OE2 2.84Å; R466-E549 PolarHBondContact NH2-OE2 3.42Å; L545-E549 WeakPolarHBondContact O-CB 3.29Å; L545-E549 PolarHBondContact O-N 2.68Å; I546-E549 PolarHBondContact O-N 2.88Å; E549-K551 PolarHBondContact O-N 3.44Å; E549-C552 PolarHBondContact O-N 3.47Å; E549-H553 WeakPolarHBondContact O-CB 3.37Å; E549-H553 PolarHBondContact O-N 3.24Å
550Y91Very high92.7Very high72 Ų7246.4 Ų46.428%0.28224%0.238SC..Hα-helixtrans-56.1-51.8174.2172.8-111.1000111.6L90 W263 I546 N547 C548 C552 H553 T554L90-Y550 HydrophobicContact CD1-CD2 3.6Å; L90-Y550 HydrophobicContact CD1-CE2 4.04Å; L90-Y550 HydrophobicContact CD2-CD2 3.29Å; L90-Y550 HydrophobicContact CD2-CE2 3.8Å; L90-Y550 HydrophobicContact CD2-CG 4.23Å; L90-Y550 HydrophobicContact CG-CD2 4.04Å; L90-Y550 HydrophobicContact CG-CE2 4.42Å; W263-Y550 HydrophobicContact CZ2-CE2 4.36Å; I546-Y550 PolarHBondContact O-N 3.26Å; N547-Y550 WeakPolarHBondContact O-CB 3.2Å; N547-Y550 PolarHBondContact O-N 3.49Å; C548-Y550 VanDerWaalsContact C-N 3.33Å; C548-Y550 PolarHBondContact O-N 3.26Å; Y550-C552 VanDerWaalsContact C-N 3.3Å; Y550-C552 PolarHBondContact O-N 3.32Å; Y550-H553 PolarHBondContact O-N 2.82Å; Y550-T554 PolarHBondContact O-N 3.11Å; Y550-T554 PolarHBondContact O-OG1 3.48Å
551K92.2Very high92.8Very high105 Ų10542.1 Ų42.146%0.45722%0.215SC..Hα-helixtrans-59.2-40.5179-71.5-179.6178.1-171.10112.4N547 C548 E549 T554 A555N547-K551 WeakPolarHBondContact O-CG 3.49Å; N547-K551 PolarHBondContact O-N 2.99Å; C548-K551 PolarHBondContact O-N 2.99Å; E549-K551 PolarHBondContact O-N 3.44Å; K551-T554 PolarHBondContact O-N 3.48Å; K551-A555 WeakPolarHBondContact O-CB 3.1Å; K551-A555 PolarHBondContact O-N 3.09Å
552C93Very high92.9Very high22 Ų2238.8 Ų38.815%0.14920%0.2CC..Hα-helixtrans-68.2-40.5177.9-61.70000111.5V459 C548 E549 Y550 T554 A555 W556V459-C552 HydrophobicContact CG2-CB 3.39Å; C548-C552 PolarHBondContact O-N 3.42Å; C548-C552 PolarHBondContact O-SG 3.48Å; E549-C552 PolarHBondContact O-N 3.47Å; Y550-C552 VanDerWaalsContact C-N 3.3Å; Y550-C552 PolarHBondContact O-N 3.32Å; C552-T554 VanDerWaalsContact C-N 3.35Å; C552-A555 PolarHBondContact O-N 2.99Å; C552-W556 WeakPolarHBondContact O-CB 3.36Å; C552-W556 PolarHBondContact O-N 2.88Å
553H93.1Very high93.1Very high1 Ų138.6 Ų38.61%0.00520%0.199CC..Hα-helixtrans-63.6-38.6173.1-87.4-48.9000112.6W263 E549 Y550 W556 F557W263-H553 HydrophobicContact CH2-CB 4.16Å; W263-H553 WeakPolarHBondContact CH2-O 3.43Å; E549-H553 WeakPolarHBondContact O-CB 3.37Å; E549-H553 PolarHBondContact O-N 3.24Å; Y550-H553 PolarHBondContact O-N 2.82Å; H553-W556 AromaticContact ND1-CE3 3.95Å; H553-F557 VanDerWaalsContact O-CB 3.3Å; H553-F557 WeakPolarHBondContact O-CB 3.46Å; H553-F557 PolarHBondContact O-N 2.8Å
554T93.3Very high93Very high13 Ų1338.8 Ų38.88%0.0819%0.19CC..Hα-helixtrans-62.9-47.9173-60.70000111.3L267 Y550 K551 C552 W556 F557 V558L267-T554 HydrophobicContact CD1-CG2 4.08Å; L267-T554 HydrophobicContact CD2-CG2 3.62Å; Y550-T554 PolarHBondContact O-N 3.11Å; Y550-T554 PolarHBondContact O-OG1 3.48Å; K551-T554 PolarHBondContact O-N 3.48Å; C552-T554 VanDerWaalsContact C-N 3.35Å; T554-W556 VanDerWaalsContact C-N 3.33Å; T554-W556 PolarHBondContact O-N 3.36Å; T554-F557 PolarHBondContact O-N 3.02Å; T554-V558 HydrophobicContact CG2-CG2 4.26Å; T554-V558 WeakPolarHBondContact O-CB 3.46Å; T554-V558 VanDerWaalsContact O-CG2 3.3Å; T554-V558 WeakPolarHBondContact O-CG2 2.9Å; T554-V558 PolarHBondContact O-N 3.29Å
555A93.9Very high92.8Very high13 Ų1332.2 Ų32.211%0.10716%0.162CC..Hα-helixtrans-60.5-43178.300000111.9K551 C552 A559K551-A555 WeakPolarHBondContact O-CB 3.1Å; K551-A555 PolarHBondContact O-N 3.09Å; C552-A555 PolarHBondContact O-N 2.99Å; A555-A559 WeakPolarHBondContact O-CB 3.36Å; A555-A559 PolarHBondContact O-N 3.47Å
556W94.5Very high92.5Very high11 Ų1133.4 Ų33.44%0.04217%0.167CC..Hα-helixtrans-58.3-54.6172.9-174.6-5.4000110.7Y8 F83 S455 Q456 C552 H553 T554 V558 A559 D560Y8-W556 HydrophobicContact CD1-CZ3 4.36Å; Y8-W556 HydrophobicContact CE1-CZ3 4.23Å; F83-W556 HydrophobicContact CB-CH2 4.22Å; F83-W556 AromaticContact CD1-CH2 3.85Å; F83-W556 HydrophobicContact CD1-CH2 3.85Å; F83-W556 AromaticContact CD2-CH2 3.56Å; F83-W556 HydrophobicContact CD2-CH2 3.56Å; F83-W556 AromaticContact CD2-CZ2 3.74Å; F83-W556 HydrophobicContact CD2-CZ2 3.74Å; F83-W556 HydrophobicContact CE1-CH2 4.08Å; F83-W556 AromaticContact CE2-CH2 3.79Å; F83-W556 HydrophobicContact CE2-CH2 3.79Å; F83-W556 AromaticContact CE2-CZ2 3.93Å; F83-W556 HydrophobicContact CE2-CZ2 3.93Å; F83-W556 AromaticContact CG-CH2 3.61Å; F83-W556 HydrophobicContact CG-CH2 3.61Å; F83-W556 HydrophobicContact CG-CZ2 4.22Å; F83-W556 HydrophobicContact CG-CZ3 4.46Å; F83-W556 HydrophobicContact CZ-CH2 4.06Å; S455-W556 WeakPolarHBondContact OG-CA 3.29Å; S455-W556 VanDerWaalsContact OG-CB 3.22Å; S455-W556 WeakPolarHBondContact OG-CB 3.28Å; Q456-W556 HydrophobicContact CG-CD2 4.04Å; Q456-W556 HydrophobicContact CG-CE3 4.02Å; Q456-W556 HydrophobicContact CG-CH2 3.72Å; Q456-W556 HydrophobicContact CG-CZ2 3.73Å; Q456-W556 HydrophobicContact CG-CZ3 3.86Å; Q456-W556 VanDerWaalsContact NE2-CZ2 3.3Å; C552-W556 WeakPolarHBondContact O-CB 3.36Å; C552-W556 PolarHBondContact O-N 2.88Å; H553-W556 AromaticContact ND1-CE3 3.95Å; T554-W556 VanDerWaalsContact C-N 3.33Å; T554-W556 PolarHBondContact O-N 3.36Å; W556-V558 VanDerWaalsContact C-N 3.34Å; W556-V558 PolarHBondContact O-N 2.85Å; W556-A559 PolarHBondContact O-N 2.78Å; W556-D560 WeakPolarHBondContact O-CB 2.98Å; W556-D560 PolarHBondContact O-N 2.98Å
557F94.3Very high92.1Very high0 Ų035.6 Ų35.60%019%0.19CC..Hα-helixtrans-59.4-42.8-176.7176.1-107.1000112.5E260 W263 R264 L267 I300 H553 T554 D560 L561E260-F557 HydrophobicContact CB-CE2 3.78Å; E260-F557 HydrophobicContact CB-CZ 4.03Å; E260-F557 HydrophobicContact CG-CE2 3.74Å; E260-F557 HydrophobicContact CG-CZ 4.44Å; E260-F557 WeakPolarHBondContact O-CZ 3.3Å; W263-F557 HydrophobicContact CB-CE1 4.41Å; W263-F557 AromaticContact CD2-CD1 3.95Å; W263-F557 HydrophobicContact CD2-CD1 3.95Å; W263-F557 HydrophobicContact CD2-CE1 4.18Å; W263-F557 HydrophobicContact CD2-CG 4.29Å; W263-F557 HydrophobicContact CE3-CB 4.11Å; W263-F557 AromaticContact CE3-CD1 3.69Å; W263-F557 HydrophobicContact CE3-CD1 3.69Å; W263-F557 AromaticContact CE3-CD2 3.84Å; W263-F557 HydrophobicContact CE3-CD2 3.84Å; W263-F557 HydrophobicContact CE3-CE1 4.03Å; W263-F557 HydrophobicContact CE3-CE2 4.19Å; W263-F557 AromaticContact CE3-CG 3.58Å; W263-F557 HydrophobicContact CE3-CG 3.58Å; W263-F557 HydrophobicContact CE3-CZ 4.27Å; W263-F557 HydrophobicContact CG-CE1 4.35Å; W263-F557 HydrophobicContact CH2-CB 3.68Å; W263-F557 HydrophobicContact CH2-CD1 4.46Å; W263-F557 HydrophobicContact CH2-CG 4.09Å; W263-F557 HydrophobicContact CZ2-CB 4.46Å; W263-F557 HydrophobicContact CZ3-CB 3.47Å; W263-F557 VanDerWaalsContact CZ3-CB 3.47Å; W263-F557 AromaticContact CZ3-CD1 3.97Å; W263-F557 HydrophobicContact CZ3-CD1 3.97Å; W263-F557 AromaticContact CZ3-CD2 3.84Å; W263-F557 HydrophobicContact CZ3-CD2 3.84Å; W263-F557 AromaticContact CZ3-CG 3.47Å; W263-F557 HydrophobicContact CZ3-CG 3.47Å; W263-F557 VanDerWaalsContact CZ3-CG 3.47Å; R264-F557 HydrophobicContact CB-CE1 4.29Å; R264-F557 HydrophobicContact CB-CZ 4.35Å; L267-F557 HydrophobicContact CD1-CD1 3.77Å; L267-F557 HydrophobicContact CD1-CE1 4.02Å; I300-F557 HydrophobicContact CD1-CZ 4.22Å; H553-F557 VanDerWaalsContact O-CB 3.3Å; H553-F557 WeakPolarHBondContact O-CB 3.46Å; H553-F557 PolarHBondContact O-N 2.8Å; T554-F557 PolarHBondContact O-N 3.02Å; F557-D560 PolarHBondContact O-N 3.42Å; F557-L561 HydrophobicContact CE1-CD2 4.29Å; F557-L561 HydrophobicContact CZ-CD2 4.34Å; F557-L561 VanDerWaalsContact O-CB 3.24Å; F557-L561 WeakPolarHBondContact O-CB 3.38Å; F557-L561 PolarHBondContact O-N 3.31Å
558V94.9Very high92.1Very high1 Ų133.2 Ų33.21%0.00618%0.177CC..Hα-helixtrans-65.8-42.2178.3173.10000111.5L267 L361 F362 T554 W556 L561 F562L267-V558 HydrophobicContact CD1-CG2 3.93Å; L361-V558 HydrophobicContact CD2-CG1 4.21Å; L361-V558 HydrophobicContact CD2-CG2 3.83Å; L361-V558 HydrophobicContact CG-CG1 3.98Å; L361-V558 HydrophobicContact CG-CG2 4.17Å; F362-V558 HydrophobicContact CB-CG1 3.87Å; F362-V558 HydrophobicContact CD2-CG1 4.28Å; T554-V558 HydrophobicContact CG2-CG2 4.26Å; T554-V558 WeakPolarHBondContact O-CB 3.46Å; T554-V558 VanDerWaalsContact O-CG2 3.3Å; T554-V558 WeakPolarHBondContact O-CG2 2.9Å; T554-V558 PolarHBondContact O-N 3.29Å; W556-V558 VanDerWaalsContact C-N 3.34Å; W556-V558 PolarHBondContact O-N 2.85Å; V558-L561 PolarHBondContact O-N 3.31Å; V558-F562 WeakPolarHBondContact O-CB 3.42Å; V558-F562 PolarHBondContact O-N 3Å
559A94.9Very high92Very high0 Ų031.8 Ų31.80%017%0.165CC..Hα-helixtrans-66.2-41177.900000111.9F362 V451 I452 A555 W556 F562 L563F362-A559 HydrophobicContact CD2-CB 4.09Å; F362-A559 HydrophobicContact CE2-CB 3.7Å; V451-A559 HydrophobicContact CB-CB 4.16Å; V451-A559 HydrophobicContact CG1-CB 3.86Å; I452-A559 HydrophobicContact CD1-CB 4.3Å; I452-A559 HydrophobicContact CG1-CB 3.69Å; A555-A559 WeakPolarHBondContact O-CB 3.36Å; A555-A559 PolarHBondContact O-N 3.47Å; W556-A559 PolarHBondContact O-N 2.78Å; A559-F562 PolarHBondContact O-N 2.98Å; A559-L563 PolarHBondContact O-N 3.1Å
560D93.3Very high92Very high48 Ų4832.7 Ų32.726%0.25717%0.171SC..Hα-helixtrans-65-44.6175.217975.3000112I452 W556 F557 F562 L563 R564I452-D560 HydrophobicContact CD1-CB 4.24Å; W556-D560 WeakPolarHBondContact O-CB 2.98Å; W556-D560 PolarHBondContact O-N 2.98Å; F557-D560 PolarHBondContact O-N 3.42Å; D560-F562 VanDerWaalsContact C-N 3.32Å; D560-F562 PolarHBondContact O-N 2.86Å; D560-L563 PolarHBondContact O-N 3.02Å; D560-R564 WeakPolarHBondContact O-CG 2.97Å; D560-R564 PolarHBondContact O-N 2.95Å; D560-R564 IonicContact OD2-CZ 2.75Å; D560-R564 IonicContact OD2-NE 2.81Å; D560-R564 PolarHBondContact OD2-NE 3.46Å; D560-R564 IonicContact OD2-NH2 3.67Å; D560-R564 PolarHBondContact OD2-NH2 2.94Å
561L92.9Very high92.1Very high1 Ų130.4 Ų30.41%0.00516%0.164CC..Hα-helixtrans-63.6-38.6175.6-175.762.6000111.9R264 I300 I358 F557 V558 R564 L565R264-L561 HydrophobicContact CB-CD2 4.12Å; R264-L561 HydrophobicContact CG-CD2 3.67Å; I300-L561 HydrophobicContact CD1-CD1 3.66Å; I300-L561 HydrophobicContact CG1-CD1 3.85Å; I358-L561 HydrophobicContact CD1-CD2 3.67Å; I358-L561 HydrophobicContact CG1-CD2 3.84Å; I358-L561 HydrophobicContact CG1-CG 4.42Å; I358-L561 HydrophobicContact CG2-CB 4.43Å; I358-L561 HydrophobicContact CG2-CD2 4.12Å; I358-L561 HydrophobicContact CG2-CG 4.06Å; F557-L561 HydrophobicContact CE1-CD2 4.29Å; F557-L561 HydrophobicContact CZ-CD2 4.34Å; F557-L561 VanDerWaalsContact O-CB 3.24Å; F557-L561 WeakPolarHBondContact O-CB 3.38Å; F557-L561 PolarHBondContact O-N 3.31Å; V558-L561 PolarHBondContact O-N 3.31Å; L561-R564 PolarHBondContact O-N 2.59Å; L561-L565 HydrophobicContact CD1-CD1 4.2Å; L561-L565 HydrophobicContact CD1-CG 4.42Å; L561-L565 HydrophobicContact CG-CD1 4.09Å; L561-L565 WeakPolarHBondContact O-CG 3.41Å; L561-L565 PolarHBondContact O-N 3.09Å; L561-L565 VanDerWaalsContact O-N 3.14Å
562F94.9Very high92.1Very high5 Ų525.8 Ų25.82%0.02215%0.146CC..Hα-helixtrans-60.5-45.9173.5173-98.4000111.2I358 K359 F362 L444 L445 A448 V558 A559 D560 L565 H566I358-F562 HydrophobicContact CG2-CB 4.27Å; K359-F562 HydrophobicContact CB-CD2 4.32Å; K359-F562 HydrophobicContact CB-CE2 4.06Å; K359-F562 HydrophobicContact CG-CE2 3.98Å; F362-F562 HydrophobicContact CB-CB 4.13Å; F362-F562 HydrophobicContact CB-CD2 4.25Å; F362-F562 HydrophobicContact CB-CG 4.22Å; F362-F562 HydrophobicContact CD1-CB 4.38Å; F362-F562 AromaticContact CD1-CD1 3.84Å; F362-F562 HydrophobicContact CD1-CD1 3.84Å; F362-F562 HydrophobicContact CD1-CD2 4.05Å; F362-F562 HydrophobicContact CD1-CE1 4.11Å; F362-F562 HydrophobicContact CD1-CE2 4.32Å; F362-F562 AromaticContact CD1-CG 3.8Å; F362-F562 HydrophobicContact CD1-CG 3.8Å; F362-F562 HydrophobicContact CD1-CZ 4.35Å; F362-F562 HydrophobicContact CD2-CB 4.45Å; F362-F562 AromaticContact CE1-CD1 3.99Å; F362-F562 HydrophobicContact CE1-CD1 3.99Å; F362-F562 HydrophobicContact CE1-CE1 4.09Å; F362-F562 HydrophobicContact CE1-CG 4.41Å; F362-F562 HydrophobicContact CG-CB 4.05Å; F362-F562 HydrophobicContact CG-CD1 4.34Å; F362-F562 HydrophobicContact CG-CD2 4.34Å; F362-F562 AromaticContact CG-CG 3.97Å; F362-F562 HydrophobicContact CG-CG 3.97Å; L444-F562 HydrophobicContact CB-CE1 3.93Å; L444-F562 HydrophobicContact CB-CZ 3.68Å; L444-F562 HydrophobicContact CD1-CZ 4.28Å; L445-F562 HydrophobicContact CD2-CE1 3.98Å; A448-F562 HydrophobicContact CB-CD1 3.68Å; A448-F562 HydrophobicContact CB-CE1 4.14Å; V558-F562 WeakPolarHBondContact O-CB 3.42Å; V558-F562 PolarHBondContact O-N 3Å; A559-F562 PolarHBondContact O-N 2.98Å; D560-F562 VanDerWaalsContact C-N 3.32Å; D560-F562 PolarHBondContact O-N 2.86Å; F562-L565 PolarHBondContact O-N 2.66Å; F562-H566 AromaticContact CD2-CD2 3.37Å; F562-H566 WeakPolarHBondContact CD2-CD2 3.31Å; F562-H566 AromaticContact CD2-NE2 3.82Å; F562-H566 HydrophobicContact CE2-CB 4.27Å; F562-H566 AromaticContact CE2-CD2 3.36Å; F562-H566 WeakPolarHBondContact CE2-CD2 3.39Å; F562-H566 AromaticContact CE2-CG 3.73Å; F562-H566 AromaticContact CE2-NE2 3.69Å; F562-H566 HydrophobicContact CZ-CB 4.24Å; F562-H566 WeakPolarHBondContact O-CB 3.32Å; F562-H566 PolarHBondContact O-CD2 3.07Å; F562-H566 VanDerWaalsContact O-CD2 3.3Å; F562-H566 PolarHBondContact O-N 3.45Å; F562-H566 VanDerWaalsContact O-N 3.1Å
563L93.2Very high92Very high27 Ų2726 Ų2614%0.14115%0.146CC..Hα-helixtrans-60.1-48.8174.6-71.3-179.4000111.2L445 A448 R449 I452 A559 D560 L565 H566 S567L445-L563 HydrophobicContact CB-CD2 4.46Å; L445-L563 HydrophobicContact CD2-CD2 3.91Å; A448-L563 HydrophobicContact CB-CD1 4.35Å; A448-L563 HydrophobicContact CB-CD2 3.74Å; A448-L563 HydrophobicContact CB-CG 3.81Å; R449-L563 HydrophobicContact CG-CD1 3.91Å; R449-L563 HydrophobicContact CG-CD2 4.5Å; I452-L563 HydrophobicContact CD1-CD1 3.43Å; I452-L563 VanDerWaalsContact CD1-CD1 3.43Å; I452-L563 HydrophobicContact CD1-CG 4.39Å; A559-L563 PolarHBondContact O-N 3.1Å; D560-L563 PolarHBondContact O-N 3.02Å; L563-L565 PolarHBondContact O-N 3.01Å; L563-L565 VanDerWaalsContact O-N 3.11Å; L563-H566 PolarHBondContact O-N 2.92Å; L563-S567 VanDerWaalsContact O-CB 3.25Å; L563-S567 WeakPolarHBondContact O-CB 3.27Å; L563-S567 PolarHBondContact O-N 3.46Å; L563-S567 PolarHBondContact O-OG 3.2Å
564R90.5Very high92Very high69 Ų6927.8 Ų27.826%0.2616%0.156SC..Hα-helixtrans-57.8-26.6180-74.3-170.2-89.1169-8.2114.7E260 I300 T301 D560 L561E260-R564 IonicContact OE1-NH2 2.86Å; E260-R564 IonicContact OE2-CZ 3.83Å; E260-R564 IonicContact OE2-NH1 2.78Å; E260-R564 PolarHBondContact OE2-NH1 3.39Å; E260-R564 IonicContact OE2-NH2 2.6Å; E260-R564 PolarHBondContact OE2-NH2 3.02Å; I300-R564 VanDerWaalsContact CG1-NH1 3.34Å; T301-R564 HydrophobicContact CG2-CB 4.48Å; D560-R564 WeakPolarHBondContact O-CG 2.97Å; D560-R564 PolarHBondContact O-N 2.95Å; D560-R564 IonicContact OD2-CZ 2.75Å; D560-R564 IonicContact OD2-NE 2.81Å; D560-R564 PolarHBondContact OD2-NE 3.46Å; D560-R564 IonicContact OD2-NH2 3.67Å; D560-R564 PolarHBondContact OD2-NH2 2.94Å; L561-R564 PolarHBondContact O-N 2.59Å
565L89.2Confident91.9Very high15 Ų1528.9 Ų28.98%0.07916%0.162CC..Hα-helixtrans-97-18-179.1-68.8171.9000114.2K355 I358 L561 F562 L563K355-L565 WeakPolarHBondContact CE-O 3.13Å; K355-L565 PolarHBondContact NZ-O 2.89Å; I358-L565 HydrophobicContact CB-CD1 4.09Å; I358-L565 HydrophobicContact CG1-CD1 4.04Å; I358-L565 HydrophobicContact CG2-CD1 4.21Å; L561-L565 HydrophobicContact CD1-CD1 4.2Å; L561-L565 HydrophobicContact CD1-CG 4.42Å; L561-L565 HydrophobicContact CG-CD1 4.09Å; L561-L565 WeakPolarHBondContact O-CG 3.41Å; L561-L565 PolarHBondContact O-N 3.09Å; L561-L565 VanDerWaalsContact O-N 3.14Å; F562-L565 PolarHBondContact O-N 2.66Å; L563-L565 PolarHBondContact O-N 3.01Å; L563-L565 VanDerWaalsContact O-N 3.11Å
566H87.3Confident91.7Very high50 Ų5030.3 Ų30.323%0.23117%0.166CC..Hα-helixtrans-123.5-7.9-172.6-68.3-89.9000114.7K355 L445 F562 L563K355-H566 VanDerWaalsContact CE-ND1 3.34Å; K355-H566 WeakPolarHBondContact CE-ND1 3.44Å; K355-H566 WeakPolarHBondContact CG-CE1 3.21Å; K355-H566 PolarHBondContact O-CE1 3.32Å; K355-H566 PolarHBondContact O-NE2 2.87Å; L445-H566 HydrophobicContact CD2-CB 4.24Å; F562-H566 AromaticContact CD2-CD2 3.37Å; F562-H566 WeakPolarHBondContact CD2-CD2 3.31Å; F562-H566 AromaticContact CD2-NE2 3.82Å; F562-H566 HydrophobicContact CE2-CB 4.27Å; F562-H566 AromaticContact CE2-CD2 3.36Å; F562-H566 WeakPolarHBondContact CE2-CD2 3.39Å; F562-H566 AromaticContact CE2-CG 3.73Å; F562-H566 AromaticContact CE2-NE2 3.69Å; F562-H566 HydrophobicContact CZ-CB 4.24Å; F562-H566 WeakPolarHBondContact O-CB 3.32Å; F562-H566 PolarHBondContact O-CD2 3.07Å; F562-H566 VanDerWaalsContact O-CD2 3.3Å; F562-H566 PolarHBondContact O-N 3.45Å; F562-H566 VanDerWaalsContact O-N 3.1Å; L563-H566 PolarHBondContact O-N 2.92Å
567S80.5Confident91.4Very high136 Ų13632 Ų3295%0.95118%0.178SC*.  trans-78.80162.868.20000110.3L563L563-S567 VanDerWaalsContact O-CB 3.25Å; L563-S567 WeakPolarHBondContact O-CB 3.27Å; L563-S567 PolarHBondContact O-N 3.46Å; L563-S567 PolarHBondContact O-OG 3.2Å

Retrieved 567 of 567 residues in 721.4 ms (Link to these results)

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