A0A077YZX5_TRITR Loading...

Transcription initiation factor TFIID subunit 8

AlphaFold DB , UniProt , Accession A0A077YZX5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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
1M46Very low57.4Low198 Ų198123.6 Ų123.698%0.97565%0.652SS**  042.20-84.9-161173.500109.4
2D45.5Very low59.7Low147 Ų147119.8 Ų119.879%0.78662%0.622SS**  trans-106.9-5.7-143.3-47.7-45.9000114.3
3K43.9Very low61.6Low205 Ų205115.6 Ų115.689%0.89159%0.593SS**SBendtrans-92.7-15.8177.2-68.9-174.2176.9-178.40114.1
4A50.3Low63.3Low83 Ų83109 Ų10969%0.68656%0.561SS**SBendtrans-87.4-16.6-17700000114S6A4-S6 VanDerWaalsContact C-N 3.29Å; A4-S6 PolarHBondContact O-N 3.31Å
5V54.9Low64.9Low64 Ų64104.2 Ų104.239%0.38854%0.536SS..G310 helixtrans-72.6-24.4-178.5-178.10000111.7K7 M8 W13V5-K7 PolarHBondContact O-N 2.87Å; V5-M8 PolarHBondContact O-N 3.35Å; V5-W13 HydrophobicContact CG1-CG 4.39Å
6S50.4Low66.5Low104 Ų104101.3 Ų101.373%0.72752%0.516SS*.G310 helixtrans-66.3-11-170.5151.30000116.2A4A4-S6 VanDerWaalsContact C-N 3.29Å; A4-S6 PolarHBondContact O-N 3.31Å
7K56.6Low67.7Low200 Ų20097.1 Ų97.187%0.8750%0.497SS*.G310 helixtrans-125.52.3-179.5-68.9-170.1178.7-175.80114.8V5V5-K7 PolarHBondContact O-N 2.87Å
8M60.8Low68.8Low42 Ų4292.8 Ų92.821%0.20748%0.478CS..SBendtrans-91.4131.7-178.1-141.5162.774.900109.2V5 R12 W13 R16V5-M8 PolarHBondContact O-N 3.35Å; M8-R12 HydrophobicContact CE-CG 4.26Å; M8-R12 HydrophobicContact CG-CB 4.32Å; M8-R12 HydrophobicContact CG-CG 4.29Å; M8-R12 HydrophobicContact SD-CG 4.46Å; M8-W13 VanDerWaalsContact CE-CA 3.44Å; M8-W13 HydrophobicContact CE-CB 3.84Å; M8-W13 HydrophobicContact CE-CG 4.49Å; M8-R16 HydrophobicContact CE-CB 4.43Å
9H70.3Confident69.9Low150 Ų15088.7 Ų88.769%0.69446%0.457SS*.  trans-47.6133.5174.4-79-73.5000109.5N11 R12 W13H9-N11 PolarHBondContact O-N 2.96Å; H9-R12 HydrophobicContact CB-CB 4.39Å; H9-R12 PolarHBondContact O-N 3.11Å; H9-W13 PolarHBondContact O-N 2.84Å
10P73.7Confident70.9Confident47 Ų4787.1 Ų87.131%0.30545%0.453SS..Hα-helixtrans-53.4-37.7-172.719.3-31.9000111.6R12 W13 T14 V103P10-R12 PolarHBondContact O-N 2.97Å; P10-W13 PolarHBondContact O-N 2.91Å; P10-T14 PolarHBondContact O-N 3.39Å; P10-T14 PolarHBondContact O-OG1 3.42Å; P10-V103 HydrophobicContact CG-CG2 4.21Å
11N79.2Confident71.6Confident120 Ų12088 Ų8864%0.64245%0.451SS*.Hα-helixtrans-66.3-35.9178.7-58.7-6.8000113.5H9 W13 T14 L15H9-N11 PolarHBondContact O-N 2.96Å; N11-W13 VanDerWaalsContact C-N 3.34Å; N11-T14 WeakPolarHBondContact CA-OG1 3.36Å; N11-T14 PolarHBondContact O-OG1 3.43Å; N11-L15 PolarHBondContact O-N 2.99Å; N11-L15 VanDerWaalsContact O-N 3.1Å
12R85.3Confident73.6Confident78 Ų7882 Ų8229%0.29442%0.419SS..Hα-helixtrans-72.8-33.8178.2-171.9172.1179.7-136.8-3.7111M8 H9 P10 R16 V40M8-R12 HydrophobicContact CE-CG 4.26Å; M8-R12 HydrophobicContact CG-CB 4.32Å; M8-R12 HydrophobicContact CG-CG 4.29Å; M8-R12 HydrophobicContact SD-CG 4.46Å; H9-R12 HydrophobicContact CB-CB 4.39Å; H9-R12 PolarHBondContact O-N 3.11Å; P10-R12 PolarHBondContact O-N 2.97Å; R12-R16 WeakPolarHBondContact O-CB 3.43Å; R12-R16 PolarHBondContact O-N 3.4Å; R12-R16 VanDerWaalsContact O-N 3.07Å; R12-V40 HydrophobicContact CG-CG1 4.45Å
13W83.3Confident75.8Confident65 Ų6577 Ų7725%0.24639%0.392CS..Hα-helixtrans-66.8-45.7174.2178.384.5000111.8V5 M8 H9 P10 N11 L15 R16 V17 P98V5-W13 HydrophobicContact CG1-CG 4.39Å; M8-W13 VanDerWaalsContact CE-CA 3.44Å; M8-W13 HydrophobicContact CE-CB 3.84Å; M8-W13 HydrophobicContact CE-CG 4.49Å; H9-W13 PolarHBondContact O-N 2.84Å; P10-W13 PolarHBondContact O-N 2.91Å; N11-W13 VanDerWaalsContact C-N 3.34Å; W13-L15 VanDerWaalsContact C-N 3.34Å; W13-L15 PolarHBondContact O-N 2.87Å; W13-R16 PolarHBondContact O-N 3.04Å; W13-V17 HydrophobicContact CD2-CG2 4.09Å; W13-V17 HydrophobicContact CH2-CG2 4.34Å; W13-V17 HydrophobicContact CZ2-CG2 3.86Å; W13-V17 WeakPolarHBondContact O-CB 3.48Å; W13-V17 WeakPolarHBondContact O-CG2 3.5Å; W13-V17 PolarHBondContact O-N 3.39Å; W13-P98 HydrophobicContact CH2-CG 4.11Å; W13-P98 HydrophobicContact CZ3-CG 4.15Å
14T85.4Confident77.9Confident23 Ų2374.8 Ų74.814%0.14138%0.383CS..Hα-helixtrans-61.5-42.5177.353.10000111.7P10 N11 V17 A18P10-T14 PolarHBondContact O-N 3.39Å; P10-T14 PolarHBondContact O-OG1 3.42Å; N11-T14 WeakPolarHBondContact CA-OG1 3.36Å; N11-T14 PolarHBondContact O-OG1 3.43Å; T14-V17 PolarHBondContact O-N 3.27Å; T14-A18 WeakPolarHBondContact O-CB 3.49Å; T14-A18 PolarHBondContact O-N 3.27Å
15L88.1Confident79.6Confident37 Ų3774.1 Ų74.119%0.19438%0.377CS..Hα-helixtrans-63-44.1176.8-171.167.1000112.3N11 W13 V17 A18 L19 V40 L43 E44N11-L15 PolarHBondContact O-N 2.99Å; N11-L15 VanDerWaalsContact O-N 3.1Å; W13-L15 VanDerWaalsContact C-N 3.34Å; W13-L15 PolarHBondContact O-N 2.87Å; L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 PolarHBondContact O-N 3.33Å; L15-A18 PolarHBondContact O-N 3.13Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 2.95Å; L15-V40 HydrophobicContact CD2-CG1 4.1Å; L15-L43 HydrophobicContact CD1-CD2 3.77Å; L15-L43 HydrophobicContact CD1-CG 4.46Å; L15-L43 HydrophobicContact CD2-CD2 4.45Å; L15-L43 HydrophobicContact CG-CD2 4.23Å; L15-E44 HydrophobicContact CD2-CG 3.29Å
16R89.5Confident81.2Confident57 Ų5775.5 Ų75.522%0.21538%0.382CS..Hα-helixtrans-58.6-43175.1-177.2177.8174.1152.1-2.6111.5M8 R12 W13 L19 C20 L36 E37 V40M8-R16 HydrophobicContact CE-CB 4.43Å; R12-R16 WeakPolarHBondContact O-CB 3.43Å; R12-R16 PolarHBondContact O-N 3.4Å; R12-R16 VanDerWaalsContact O-N 3.07Å; W13-R16 PolarHBondContact O-N 3.04Å; R16-L19 PolarHBondContact O-N 3.45Å; R16-C20 PolarHBondContact O-N 3.24Å; R16-C20 PolarHBondContact O-SG 3.4Å; R16-L36 HydrophobicContact CG-CD2 3.93Å; R16-L36 HydrophobicContact CG-CG 4.49Å; R16-E37 IonicContact NH1-OE1 3.57Å; R16-V40 HydrophobicContact CB-CG2 4.18Å; R16-V40 HydrophobicContact CG-CG2 4.38Å
17V87.8Confident83Confident31 Ų3173.6 Ų73.619%0.18838%0.379CS..Hα-helixtrans-66.3-40.7178.2165.90000111.7W13 T14 L15 C20 R21 P98W13-V17 HydrophobicContact CD2-CG2 4.09Å; W13-V17 HydrophobicContact CH2-CG2 4.34Å; W13-V17 HydrophobicContact CZ2-CG2 3.86Å; W13-V17 WeakPolarHBondContact O-CB 3.48Å; W13-V17 WeakPolarHBondContact O-CG2 3.5Å; W13-V17 PolarHBondContact O-N 3.39Å; T14-V17 PolarHBondContact O-N 3.27Å; L15-V17 VanDerWaalsContact C-N 3.29Å; L15-V17 PolarHBondContact O-N 3.33Å; V17-C20 PolarHBondContact O-N 3.31Å; V17-R21 PolarHBondContact O-N 3.48Å; V17-R21 VanDerWaalsContact O-N 3.1Å; V17-P98 HydrophobicContact CG1-CG 3.92Å
18A87.4Confident84.7Confident19 Ų1970.1 Ų70.116%0.15736%0.364CS..Hα-helixtrans-61.6-46.6174.900000111.5T14 L15 C20 R21 F22 V97T14-A18 WeakPolarHBondContact O-CB 3.49Å; T14-A18 PolarHBondContact O-N 3.27Å; L15-A18 PolarHBondContact O-N 3.13Å; A18-C20 PolarHBondContact O-N 3.38Å; A18-R21 PolarHBondContact O-N 2.94Å; A18-F22 PolarHBondContact O-N 3.1Å; A18-V97 HydrophobicContact CB-CG2 3.64Å
19L90.2Very high86.1Confident16 Ų1675.8 Ų75.88%0.08440%0.395CS..Hα-helixtrans-62.4-43178-174.266.9000112L15 R16 R21 F22 L23 L36 L39 V40 L43L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 PolarHBondContact O-N 2.95Å; R16-L19 PolarHBondContact O-N 3.45Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 2.97Å; L19-F22 WeakPolarHBondContact O-CB 3.36Å; L19-F22 PolarHBondContact O-N 3.01Å; L19-L23 HydrophobicContact CG-CD1 4.33Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.39Å; L19-L36 HydrophobicContact CD2-CD1 3.78Å; L19-L36 HydrophobicContact CG-CD1 4.21Å; L19-L39 HydrophobicContact CD1-CD2 3.94Å; L19-L39 HydrophobicContact CD1-CG 4.21Å; L19-L39 HydrophobicContact CD2-CB 4.06Å; L19-L39 HydrophobicContact CD2-CD2 3.87Å; L19-L39 HydrophobicContact CD2-CG 3.8Å; L19-L39 HydrophobicContact CG-CD2 4.23Å; L19-V40 HydrophobicContact CD2-CG2 3.55Å; L19-L43 HydrophobicContact CD1-CD2 4.34Å
20C89.1Confident87.1Confident55 Ų5573.7 Ų73.737%0.37240%0.397SS..Hα-helixtrans-59.8-40.8174.3-73.70000112.4R16 V17 A18 L23 K24R16-C20 PolarHBondContact O-N 3.24Å; R16-C20 PolarHBondContact O-SG 3.4Å; V17-C20 PolarHBondContact O-N 3.31Å; A18-C20 PolarHBondContact O-N 3.38Å; C20-L23 PolarHBondContact O-N 2.91Å; C20-K24 WeakPolarHBondContact O-CB 3.1Å; C20-K24 PolarHBondContact O-N 2.89Å
21R86.7Confident87.8Confident107 Ų10775 Ų7540%0.40442%0.42SS..Hα-helixtrans-65.3-41.2175.7-76.5-162.217884.5-2.8111.9V17 A18 L19 K24 A25 V95 T96V17-R21 PolarHBondContact O-N 3.48Å; V17-R21 VanDerWaalsContact O-N 3.1Å; A18-R21 PolarHBondContact O-N 2.94Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 2.97Å; R21-K24 PolarHBondContact O-N 3.33Å; R21-A25 PolarHBondContact O-N 3.49Å; R21-V95 HydrophobicContact CB-CG1 3.64Å; R21-T96 PolarHBondContact NE-O 3.3Å; R21-T96 PolarHBondContact NH1-O 3.31Å
22F87.8Confident88.4Confident71 Ų7172.7 Ų72.731%0.31141%0.412SS..Hα-helixtrans-61.2-47.4176-178-99.2000111.7A18 L19 K24 A25 L26 L92A18-F22 PolarHBondContact O-N 3.1Å; L19-F22 WeakPolarHBondContact O-CB 3.36Å; L19-F22 PolarHBondContact O-N 3.01Å; F22-K24 VanDerWaalsContact C-N 3.31Å; F22-K24 PolarHBondContact O-N 2.93Å; F22-A25 WeakPolarHBondContact O-CB 3.36Å; F22-A25 PolarHBondContact O-N 3.32Å; F22-A25 VanDerWaalsContact O-N 3.16Å; F22-L26 HydrophobicContact CD1-CD1 4.02Å; F22-L26 HydrophobicContact CE1-CD1 3.54Å; F22-L26 HydrophobicContact CE1-CG 4.28Å; F22-L26 HydrophobicContact CZ-CD1 4.11Å; F22-L26 PolarHBondContact O-N 3.49Å; F22-L26 VanDerWaalsContact O-N 3.11Å; F22-L92 HydrophobicContact CD2-CD2 4.35Å; F22-L92 HydrophobicContact CE2-CD2 3.83Å
23L90.2Very high88.7Confident42 Ų4274.7 Ų74.722%0.2243%0.425CS..Hα-helixtrans-62.5-38.1176.2-68.7173.3000112.2L19 C20 A25 L26 G27 F28 L36 L39L19-L23 HydrophobicContact CG-CD1 4.33Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.39Å; C20-L23 PolarHBondContact O-N 2.91Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 3.49Å; L23-L26 PolarHBondContact O-N 3.12Å; L23-G27 PolarHBondContact O-N 2.99Å; L23-F28 HydrophobicContact CB-CB 4.33Å; L23-F28 HydrophobicContact CB-CD2 4.34Å; L23-F28 HydrophobicContact CD2-CD2 4.1Å; L23-F28 HydrophobicContact CD2-CE2 4.29Å; L23-F28 WeakPolarHBondContact O-CB 3.26Å; L23-F28 WeakPolarHBondContact O-CD2 3.42Å; L23-F28 PolarHBondContact O-N 3.33Å; L23-F28 VanDerWaalsContact O-N 3.09Å; L23-L36 HydrophobicContact CD1-CD1 3.97Å; L23-L39 HydrophobicContact CD1-CD2 4.37Å
24K89Confident89.1Confident160 Ų16081.2 Ų81.270%0.69645%0.45SS*.Hα-helixtrans-64.3-37.4175-168.6169.1-176.4170.40112.2C20 R21 F22 L26 G27C20-K24 WeakPolarHBondContact O-CB 3.1Å; C20-K24 PolarHBondContact O-N 2.89Å; R21-K24 PolarHBondContact O-N 3.33Å; F22-K24 VanDerWaalsContact C-N 3.31Å; F22-K24 PolarHBondContact O-N 2.93Å; K24-L26 VanDerWaalsContact C-N 3.28Å; K24-L26 PolarHBondContact O-N 3.47Å; K24-G27 PolarHBondContact O-N 3.47Å; K24-G27 VanDerWaalsContact O-N 3.07Å
25A85.9Confident89.5Confident68 Ų6883.8 Ų83.856%0.56247%0.468SS*.Hα-helixtrans-67-28.4174.600000112.9R21 F22 L23 G27R21-A25 PolarHBondContact O-N 3.49Å; F22-A25 WeakPolarHBondContact O-CB 3.36Å; F22-A25 PolarHBondContact O-N 3.32Å; F22-A25 VanDerWaalsContact O-N 3.16Å; L23-A25 VanDerWaalsContact C-N 3.33Å; L23-A25 PolarHBondContact O-N 3.49Å; A25-G27 PolarHBondContact O-N 3.45Å
26L87.7Confident89.7Confident94 Ų9483.2 Ų83.249%0.49247%0.466SS..THydrogen-bonded Turntrans-77.3-5.9171.5-66.3177000113.6F22 L23 K24 F28F22-L26 HydrophobicContact CD1-CD1 4.02Å; F22-L26 HydrophobicContact CE1-CD1 3.54Å; F22-L26 HydrophobicContact CE1-CG 4.28Å; F22-L26 HydrophobicContact CZ-CD1 4.11Å; F22-L26 PolarHBondContact O-N 3.49Å; F22-L26 VanDerWaalsContact O-N 3.11Å; L23-L26 PolarHBondContact O-N 3.12Å; K24-L26 VanDerWaalsContact C-N 3.28Å; K24-L26 PolarHBondContact O-N 3.47Å; L26-F28 HydrophobicContact CB-CD2 3.9Å; L26-F28 HydrophobicContact CB-CE2 4Å; L26-F28 HydrophobicContact CD1-CE2 4.38Å
27G89.7Confident89.8Confident64 Ų6483.4 Ų83.466%0.6647%0.469SS*.THydrogen-bonded Turntrans94.512.6178.100000115.4L23 K24 A25L23-G27 PolarHBondContact O-N 2.99Å; K24-G27 PolarHBondContact O-N 3.47Å; K24-G27 VanDerWaalsContact O-N 3.07Å; A25-G27 PolarHBondContact O-N 3.45Å
28F91.4Very high90.2Very high126 Ų12685.2 Ų85.255%0.55348%0.48SS*.  trans-77.5122.3173.4-68.8-89.9000110.9L23 L26L23-F28 HydrophobicContact CB-CB 4.33Å; L23-F28 HydrophobicContact CB-CD2 4.34Å; L23-F28 HydrophobicContact CD2-CD2 4.1Å; L23-F28 HydrophobicContact CD2-CE2 4.29Å; L23-F28 WeakPolarHBondContact O-CB 3.26Å; L23-F28 WeakPolarHBondContact O-CD2 3.42Å; L23-F28 PolarHBondContact O-N 3.33Å; L23-F28 VanDerWaalsContact O-N 3.09Å; L26-F28 HydrophobicContact CB-CD2 3.9Å; L26-F28 HydrophobicContact CB-CE2 4Å; L26-F28 HydrophobicContact CD1-CE2 4.38Å
29D90.6Very high90.6Very high162 Ų16287.5 Ų87.587%0.86649%0.489SS*.  trans-94.6-32.6177.6-166.839.8000112.8
30S90.9Very high90.7Very high106 Ų10686.9 Ų86.974%0.74149%0.486SS*.  trans-141156.5178.964.60000112.2
31G88.4Confident91Very high75 Ų7589.4 Ų89.477%0.77349%0.492SS*.  trans-163.7158.6179.700000112
32S92.7Very high91.4Very high70 Ų7088.8 Ų88.849%0.4950%0.496SS..  trans-72.6133176.1174.40000110.8R34 S35 L36S32-R34 PolarHBondContact O-N 3.29Å; S32-R34 PolarHBondContact OG-N 3.37Å; S32-S35 PolarHBondContact O-N 3.5Å; S32-L36 PolarHBondContact O-N 3.49Å
33Q90.5Very high91.7Very high120 Ų12088 Ų8856%0.56150%0.495SS*.Hα-helixtrans-57.1-39.2176176175.7-2900111.9L36 E37Q33-L36 PolarHBondContact O-N 3.03Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.19Å; Q33-E37 PolarHBondContact NE2-OE1 3.07Å; Q33-E37 WeakPolarHBondContact O-CG 3.22Å; Q33-E37 PolarHBondContact O-N 2.67Å
34R93.2Very high91.9Very high202 Ų20289 Ų8976%0.76250%0.499SS*.Hα-helixtrans-67-39.7-178.9-167.6170.1-174.9146.30.3111.6S32 L36 E37 V38S32-R34 PolarHBondContact O-N 3.29Å; S32-R34 PolarHBondContact OG-N 3.37Å; R34-L36 VanDerWaalsContact C-N 3.35Å; R34-E37 PolarHBondContact O-N 3.17Å; R34-V38 WeakPolarHBondContact O-CG2 3.32Å; R34-V38 PolarHBondContact O-N 3.36Å; R34-V38 VanDerWaalsContact O-N 3.07Å
35S93.1Very high92.2Very high77 Ų7784.7 Ų84.754%0.53849%0.488SS..Hα-helixtrans-64.9-40.2175.6-56.10000111.6S32 V38 L39S32-S35 PolarHBondContact O-N 3.5Å; S35-V38 PolarHBondContact O-N 3.14Å; S35-L39 WeakPolarHBondContact O-CB 3.42Å; S35-L39 PolarHBondContact O-N 3.49Å
36L92.5Very high92.6Very high26 Ų2684.7 Ų84.714%0.13648%0.476CS..Hα-helixtrans-62.6-43.2175.2-175.372.8000111.4R16 L19 L23 S32 Q33 R34 L39 V40R16-L36 HydrophobicContact CG-CD2 3.93Å; R16-L36 HydrophobicContact CG-CG 4.49Å; L19-L36 HydrophobicContact CD2-CD1 3.78Å; L19-L36 HydrophobicContact CG-CD1 4.21Å; L23-L36 HydrophobicContact CD1-CD1 3.97Å; S32-L36 PolarHBondContact O-N 3.49Å; Q33-L36 PolarHBondContact O-N 3.03Å; R34-L36 VanDerWaalsContact C-N 3.35Å; L36-L39 PolarHBondContact O-N 3.3Å; L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.4Å; L36-V40 PolarHBondContact O-N 2.85Å
37E91.8Very high92.9Very high61 Ų6184.7 Ų84.729%0.28548%0.475SS..Hα-helixtrans-64.2-40.3178.5-75174.2-165.400112.7R16 Q33 R34 V40 Q41R16-E37 IonicContact NH1-OE1 3.57Å; Q33-E37 WeakPolarHBondContact CG-OE1 3.19Å; Q33-E37 PolarHBondContact NE2-OE1 3.07Å; Q33-E37 WeakPolarHBondContact O-CG 3.22Å; Q33-E37 PolarHBondContact O-N 2.67Å; R34-E37 PolarHBondContact O-N 3.17Å; E37-V40 PolarHBondContact O-N 2.88Å; E37-Q41 WeakPolarHBondContact O-CG 3.34Å; E37-Q41 PolarHBondContact O-N 2.72Å; E37-Q41 VanDerWaalsContact O-N 3.08Å
38V95.8Very high93.2Very high69 Ų6985.6 Ų85.642%0.41847%0.468SS..Hα-helixtrans-65.7-42.6174.3173.40000110.8R34 S35 V40 Q41 I42R34-V38 WeakPolarHBondContact O-CG2 3.32Å; R34-V38 PolarHBondContact O-N 3.36Å; R34-V38 VanDerWaalsContact O-N 3.07Å; S35-V38 PolarHBondContact O-N 3.14Å; V38-V40 VanDerWaalsContact C-N 3.33Å; V38-V40 PolarHBondContact O-N 3.32Å; V38-Q41 WeakPolarHBondContact O-CB 3.24Å; V38-Q41 PolarHBondContact O-N 3.13Å; V38-Q41 VanDerWaalsContact O-N 3.15Å; V38-I42 HydrophobicContact CG1-CD1 3.85Å; V38-I42 HydrophobicContact CG1-CG1 4.37Å; V38-I42 WeakPolarHBondContact O-CG1 3.36Å; V38-I42 PolarHBondContact O-N 2.89Å
39L94.6Very high93.4Very high67 Ų6784.6 Ų84.635%0.35147%0.465SS..Hα-helixtrans-65.1-37.4178.5-173.161.2000112.1L19 L23 S35 L36 I42 L43L19-L39 HydrophobicContact CD1-CD2 3.94Å; L19-L39 HydrophobicContact CD1-CG 4.21Å; L19-L39 HydrophobicContact CD2-CB 4.06Å; L19-L39 HydrophobicContact CD2-CD2 3.87Å; L19-L39 HydrophobicContact CD2-CG 3.8Å; L19-L39 HydrophobicContact CG-CD2 4.23Å; L23-L39 HydrophobicContact CD1-CD2 4.37Å; S35-L39 WeakPolarHBondContact O-CB 3.42Å; S35-L39 PolarHBondContact O-N 3.49Å; L36-L39 PolarHBondContact O-N 3.3Å; L39-I42 PolarHBondContact O-N 3.06Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 3.08Å
40V93.7Very high93.7Very high2 Ų277.8 Ų77.81%0.01243%0.429CS..Hα-helixtrans-59.8-46.4171.1169.80000110.5R12 L15 R16 L19 L36 E37 V38 I42 L43 E44R12-V40 HydrophobicContact CG-CG1 4.45Å; L15-V40 HydrophobicContact CD2-CG1 4.1Å; R16-V40 HydrophobicContact CB-CG2 4.18Å; R16-V40 HydrophobicContact CG-CG2 4.38Å; L19-V40 HydrophobicContact CD2-CG2 3.55Å; L36-V40 VanDerWaalsContact O-CG2 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.4Å; L36-V40 PolarHBondContact O-N 2.85Å; E37-V40 PolarHBondContact O-N 2.88Å; V38-V40 VanDerWaalsContact C-N 3.33Å; V38-V40 PolarHBondContact O-N 3.32Å; V40-I42 PolarHBondContact O-N 3.48Å; V40-L43 PolarHBondContact O-N 2.92Å; V40-E44 HydrophobicContact CG1-CG 4.44Å; V40-E44 WeakPolarHBondContact O-CG 3.45Å; V40-E44 PolarHBondContact O-N 3.32Å
41Q94.2Very high93.9Very high108 Ų10875.2 Ų75.251%0.50541%0.414SS..Hα-helixtrans-62.8-42177.5-74.3178-8.400112.6E37 V38 L43 E44 S45E37-Q41 WeakPolarHBondContact O-CG 3.34Å; E37-Q41 PolarHBondContact O-N 2.72Å; E37-Q41 VanDerWaalsContact O-N 3.08Å; V38-Q41 WeakPolarHBondContact O-CB 3.24Å; V38-Q41 PolarHBondContact O-N 3.13Å; V38-Q41 VanDerWaalsContact O-N 3.15Å; Q41-L43 VanDerWaalsContact C-N 3.33Å; Q41-L43 PolarHBondContact O-N 3.39Å; Q41-E44 PolarHBondContact O-N 3.39Å; Q41-S45 WeakPolarHBondContact O-CB 3.42Å; Q41-S45 PolarHBondContact O-N 2.97Å; Q41-S45 PolarHBondContact O-OG 2.84Å
42I96Very high94.2Very high95 Ų9576.1 Ų76.149%0.48740%0.401SS..Hα-helixtrans-61.1-45.5176.2-68.7167.7000109.8V38 L39 V40 S45 F46V38-I42 HydrophobicContact CG1-CD1 3.85Å; V38-I42 HydrophobicContact CG1-CG1 4.37Å; V38-I42 WeakPolarHBondContact O-CG1 3.36Å; V38-I42 PolarHBondContact O-N 2.89Å; L39-I42 PolarHBondContact O-N 3.06Å; V40-I42 PolarHBondContact O-N 3.48Å; I42-S45 WeakPolarHBondContact CA-OG 3.4Å; I42-S45 PolarHBondContact O-N 3.47Å; I42-S45 PolarHBondContact O-OG 3.25Å; I42-F46 WeakPolarHBondContact O-CB 3.24Å; I42-F46 PolarHBondContact O-N 3.14Å
43L94.1Very high94.3Very high54 Ų5473.7 Ų73.728%0.28339%0.387SS..Hα-helixtrans-63.9-42.8178.4-176.661.8000112.1L15 L19 L39 V40 Q41 F46 I47L15-L43 HydrophobicContact CD1-CD2 3.77Å; L15-L43 HydrophobicContact CD1-CG 4.46Å; L15-L43 HydrophobicContact CD2-CD2 4.45Å; L15-L43 HydrophobicContact CG-CD2 4.23Å; L19-L43 HydrophobicContact CD1-CD2 4.34Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 3.08Å; V40-L43 PolarHBondContact O-N 2.92Å; Q41-L43 VanDerWaalsContact C-N 3.33Å; Q41-L43 PolarHBondContact O-N 3.39Å; L43-F46 PolarHBondContact O-N 2.77Å; L43-I47 HydrophobicContact CD1-CD1 4.35Å; L43-I47 HydrophobicContact CG-CD1 4.14Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.35Å; L43-I47 PolarHBondContact O-N 3.09Å
44E93.7Very high94.6Very high64 Ų6468.1 Ų68.130%0.29936%0.361SS..Hα-helixtrans-59.2-47.6173.8-73.3175.4168.600110.9L15 V40 Q41 F46 I47 V48L15-E44 HydrophobicContact CD2-CG 3.29Å; V40-E44 HydrophobicContact CG1-CG 4.44Å; V40-E44 WeakPolarHBondContact O-CG 3.45Å; V40-E44 PolarHBondContact O-N 3.32Å; Q41-E44 PolarHBondContact O-N 3.39Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 3.35Å; E44-I47 PolarHBondContact O-N 2.95Å; E44-V48 WeakPolarHBondContact O-CG2 3.34Å; E44-V48 PolarHBondContact O-N 3.07Å; E44-V48 VanDerWaalsContact O-N 3.11Å
45S95.3Very high94.7Very high68 Ų6865.1 Ų65.148%0.47635%0.35SS..Hα-helixtrans-62.6-39.5177.868.40000112.2Q41 I42 V48 E49Q41-S45 WeakPolarHBondContact O-CB 3.42Å; Q41-S45 PolarHBondContact O-N 2.97Å; Q41-S45 PolarHBondContact O-OG 2.84Å; I42-S45 WeakPolarHBondContact CA-OG 3.4Å; I42-S45 PolarHBondContact O-N 3.47Å; I42-S45 PolarHBondContact O-OG 3.25Å; S45-V48 PolarHBondContact O-N 3.31Å; S45-E49 WeakPolarHBondContact O-CB 3.38Å; S45-E49 PolarHBondContact O-N 3.45Å
46F95.2Very high94.7Very high69 Ų6963.8 Ų63.830%0.30334%0.343SS..Hα-helixtrans-65-43.7178.5177.9-106.3000111.9I42 L43 E44 V48 E49 V50 L75 F80I42-F46 WeakPolarHBondContact O-CB 3.24Å; I42-F46 PolarHBondContact O-N 3.14Å; L43-F46 PolarHBondContact O-N 2.77Å; E44-F46 VanDerWaalsContact C-N 3.33Å; E44-F46 PolarHBondContact O-N 3.35Å; F46-V48 VanDerWaalsContact C-N 3.32Å; F46-V48 PolarHBondContact O-N 3.47Å; F46-E49 PolarHBondContact O-N 3.18Å; F46-V50 HydrophobicContact CD1-CG2 4.44Å; F46-V50 HydrophobicContact CD2-CG2 4.25Å; F46-V50 HydrophobicContact CE1-CG2 4.01Å; F46-V50 HydrophobicContact CE2-CG2 3.78Å; F46-V50 HydrophobicContact CZ-CG2 3.66Å; F46-V50 VanDerWaalsContact O-CG2 3.32Å; F46-V50 WeakPolarHBondContact O-CG2 3.48Å; F46-V50 PolarHBondContact O-N 2.85Å; F46-L75 HydrophobicContact CZ-CD2 4.29Å; F46-F80 HydrophobicContact CD2-CE2 4.46Å; F46-F80 HydrophobicContact CE2-CD2 4.16Å; F46-F80 AromaticContact CE2-CE2 3.35Å; F46-F80 HydrophobicContact CE2-CE2 3.35Å; F46-F80 AromaticContact CE2-CZ 3.83Å; F46-F80 HydrophobicContact CE2-CZ 3.83Å; F46-F80 HydrophobicContact CZ-CD2 4.11Å; F46-F80 HydrophobicContact CZ-CE1 4.46Å; F46-F80 AromaticContact CZ-CE2 3.48Å; F46-F80 HydrophobicContact CZ-CE2 3.48Å; F46-F80 VanDerWaalsContact CZ-CE2 3.48Å; F46-F80 AromaticContact CZ-CZ 3.68Å; F46-F80 HydrophobicContact CZ-CZ 3.68Å
47I94.3Very high94.7Very high93 Ų9363 Ų6348%0.47734%0.34SS..Hα-helixtrans-61.7-43176.7-67.5165.2000110.6L43 E44 A51L43-I47 HydrophobicContact CD1-CD1 4.35Å; L43-I47 HydrophobicContact CG-CD1 4.14Å; L43-I47 VanDerWaalsContact O-CG1 3.3Å; L43-I47 WeakPolarHBondContact O-CG1 3.35Å; L43-I47 PolarHBondContact O-N 3.09Å; E44-I47 PolarHBondContact O-N 2.95Å; I47-A51 WeakPolarHBondContact O-CB 3.37Å; I47-A51 PolarHBondContact O-N 3.45Å
48V95.8Very high94.9Very high83 Ų8360.2 Ų60.250%0.50333%0.328SS..Hα-helixtrans-65-43.8177.5173.20000111.1E44 S45 F46 A51 L52E44-V48 WeakPolarHBondContact O-CG2 3.34Å; E44-V48 PolarHBondContact O-N 3.07Å; E44-V48 VanDerWaalsContact O-N 3.11Å; S45-V48 PolarHBondContact O-N 3.31Å; F46-V48 VanDerWaalsContact C-N 3.32Å; F46-V48 PolarHBondContact O-N 3.47Å; V48-A51 PolarHBondContact O-N 2.88Å; V48-L52 HydrophobicContact CG1-CD1 3.91Å; V48-L52 HydrophobicContact CG1-CG 4.28Å; V48-L52 WeakPolarHBondContact O-CG 3.46Å; V48-L52 PolarHBondContact O-N 3.49Å
49E95.5Very high94.8Very high105 Ų10561.9 Ų61.949%0.49133%0.331SS..Hα-helixtrans-64.1-42.3-179.7-159.365-152.700111.7S45 F46 A51 L52 G53 F78S45-E49 WeakPolarHBondContact O-CB 3.38Å; S45-E49 PolarHBondContact O-N 3.45Å; F46-E49 PolarHBondContact O-N 3.18Å; E49-A51 PolarHBondContact O-N 3.47Å; E49-L52 PolarHBondContact O-N 2.93Å; E49-G53 PolarHBondContact O-N 2.91Å; E49-F78 HydrophobicContact CB-CZ 4.4Å; E49-F78 HydrophobicContact CG-CE1 4.01Å; E49-F78 HydrophobicContact CG-CE2 4.46Å; E49-F78 HydrophobicContact CG-CZ 3.66Å
50V95.8Very high94.7Very high20 Ų2065.9 Ų65.912%0.12135%0.352CS..Hα-helixtrans-62.8-40.8173.1174.60000111.6F46 S54 V71 L75 F78F46-V50 HydrophobicContact CD1-CG2 4.44Å; F46-V50 HydrophobicContact CD2-CG2 4.25Å; F46-V50 HydrophobicContact CE1-CG2 4.01Å; F46-V50 HydrophobicContact CE2-CG2 3.78Å; F46-V50 HydrophobicContact CZ-CG2 3.66Å; F46-V50 VanDerWaalsContact O-CG2 3.32Å; F46-V50 WeakPolarHBondContact O-CG2 3.48Å; F46-V50 PolarHBondContact O-N 2.85Å; V50-S54 VanDerWaalsContact O-CB 3.24Å; V50-S54 WeakPolarHBondContact O-CB 3.47Å; V50-S54 PolarHBondContact O-N 3.39Å; V50-S54 PolarHBondContact O-OG 3.15Å; V50-V71 HydrophobicContact CG1-CG1 4.38Å; V50-L75 HydrophobicContact CG1-CD2 4.47Å; V50-L75 HydrophobicContact CG2-CD2 4.22Å; V50-F78 HydrophobicContact CB-CE2 4.46Å; V50-F78 HydrophobicContact CG2-CD2 4.02Å; V50-F78 HydrophobicContact CG2-CE2 3.85Å
51A95.2Very high94.6Very high51 Ų5169.2 Ų69.242%0.42137%0.374SS..Hα-helixtrans-66.2-42.2177.500000112.3I47 V48 E49 S54 R55I47-A51 WeakPolarHBondContact O-CB 3.37Å; I47-A51 PolarHBondContact O-N 3.45Å; V48-A51 PolarHBondContact O-N 2.88Å; E49-A51 PolarHBondContact O-N 3.47Å; A51-S54 PolarHBondContact O-N 3.11Å; A51-R55 WeakPolarHBondContact O-CB 3.45Å; A51-R55 PolarHBondContact O-N 2.97Å
52L95.7Very high94.4Very high95 Ų9571 Ų7150%0.49739%0.388SS..Hα-helixtrans-67.6-43.8177.1-71.2176.2000111.8V48 E49 R55 A56V48-L52 HydrophobicContact CG1-CD1 3.91Å; V48-L52 HydrophobicContact CG1-CG 4.28Å; V48-L52 WeakPolarHBondContact O-CG 3.46Å; V48-L52 PolarHBondContact O-N 3.49Å; E49-L52 PolarHBondContact O-N 2.93Å; L52-R55 PolarHBondContact O-N 3.4Å; L52-A56 PolarHBondContact O-N 2.96Å
53G95Very high94.2Very high19 Ų1970.5 Ų70.520%0.19638%0.383CS..Hα-helixtrans-59.4-46.5173.200000111.7E49 R55 A56 A57 T74E49-G53 PolarHBondContact O-N 2.91Å; G53-R55 VanDerWaalsContact C-N 3.29Å; G53-R55 PolarHBondContact O-N 3.31Å; G53-A56 PolarHBondContact O-N 3.3Å; G53-A56 VanDerWaalsContact O-N 3.14Å; G53-A57 PolarHBondContact O-N 3.3Å; G53-T74 VanDerWaalsContact O-CG2 3.22Å; G53-T74 WeakPolarHBondContact O-CG2 3.38Å
54S95.3Very high93.9Very high3 Ų374.3 Ų74.32%0.02141%0.408CS..Hα-helixtrans-62.2-38.5178.7-60.10000111.9V50 A51 A58 L66 T74V50-S54 VanDerWaalsContact O-CB 3.24Å; V50-S54 WeakPolarHBondContact O-CB 3.47Å; V50-S54 PolarHBondContact O-N 3.39Å; V50-S54 PolarHBondContact O-OG 3.15Å; A51-S54 PolarHBondContact O-N 3.11Å; S54-A58 WeakPolarHBondContact O-CB 3.43Å; S54-A58 PolarHBondContact O-N 3.16Å; S54-L66 VanDerWaalsContact CB-CD2 3.49Å; S54-T74 PolarHBondContact OG-OG1 3.08Å; S54-T74 VanDerWaalsContact OG-OG1 3.1Å
55R95.3Very high93.9Very high139 Ų13978.1 Ų78.153%0.52543%0.428SS..Hα-helixtrans-65-44.7173.5179.7179.6168.6-171.8-6.7111.7A51 L52 G53 A57 A58 E59A51-R55 WeakPolarHBondContact O-CB 3.45Å; A51-R55 PolarHBondContact O-N 2.97Å; L52-R55 PolarHBondContact O-N 3.4Å; G53-R55 VanDerWaalsContact C-N 3.29Å; G53-R55 PolarHBondContact O-N 3.31Å; R55-A57 PolarHBondContact O-N 3.49Å; R55-A58 PolarHBondContact O-N 3.49Å; R55-E59 HydrophobicContact CG-CG 4.36Å; R55-E59 IonicContact CZ-OE1 3.3Å; R55-E59 VanDerWaalsContact CZ-OE1 3.3Å; R55-E59 IonicContact NE-OE1 2.75Å; R55-E59 PolarHBondContact NE-OE1 2.86Å; R55-E59 IonicContact NH2-OE1 2.95Å; R55-E59 PolarHBondContact NH2-OE1 3.32Å; R55-E59 WeakPolarHBondContact O-CB 3.35Å; R55-E59 WeakPolarHBondContact O-CG 3.37Å; R55-E59 PolarHBondContact O-N 2.84Å
56A94.1Very high93.7Very high48 Ų4879.5 Ų79.540%0.39743%0.429SS..Hα-helixtrans-62.4-42.3177.700000111.8L52 G53 A58 E59 L60L52-A56 PolarHBondContact O-N 2.96Å; G53-A56 PolarHBondContact O-N 3.3Å; G53-A56 VanDerWaalsContact O-N 3.14Å; A56-A58 PolarHBondContact O-N 2.73Å; A56-E59 PolarHBondContact O-N 2.88Å; A56-L60 WeakPolarHBondContact O-CG 3.3Å; A56-L60 PolarHBondContact O-N 3.33Å
57A93.1Very high93.7Very high9 Ų978.3 Ų78.37%0.07443%0.428CS..Hα-helixtrans-61.2-42.317400000112.3G53 R55 L60 C61 D70 L73 T74G53-A57 PolarHBondContact O-N 3.3Å; R55-A57 PolarHBondContact O-N 3.49Å; A57-L60 PolarHBondContact O-N 3.11Å; A57-C61 PolarHBondContact O-N 3.29Å; A57-C61 PolarHBondContact O-SG 3.37Å; A57-D70 HydrophobicContact CB-CB 4.2Å; A57-L73 HydrophobicContact CB-CD2 4.26Å; A57-T74 HydrophobicContact CB-CG2 4.01Å
58A94.5Very high93.6Very high3 Ų378.5 Ų78.53%0.02544%0.435CS..Hα-helixtrans-65.5-42175.600000112.2S54 R55 A56 L60 C61 N62 H63S54-A58 WeakPolarHBondContact O-CB 3.43Å; S54-A58 PolarHBondContact O-N 3.16Å; R55-A58 PolarHBondContact O-N 3.49Å; A56-A58 PolarHBondContact O-N 2.73Å; A58-L60 VanDerWaalsContact C-N 3.35Å; A58-L60 PolarHBondContact O-N 3.45Å; A58-C61 CarbonylContact O-C 3.5Å; A58-C61 PolarHBondContact O-N 3.43Å; A58-C61 VanDerWaalsContact O-N 3.13Å; A58-N62 PolarHBondContact O-N 3Å; A58-N62 VanDerWaalsContact O-N 3.14Å; A58-H63 HydrophobicContact CB-CB 4.06Å; A58-H63 PolarHBondContact O-N 2.94Å
59E93.8Very high93.4Very high105 Ų10578.3 Ų78.349%0.49144%0.438SS..Hα-helixtrans-63.4-38.5177.4-75.6177.5-178.800111.7R55 A56 C61 N62R55-E59 HydrophobicContact CG-CG 4.36Å; R55-E59 IonicContact CZ-OE1 3.3Å; R55-E59 VanDerWaalsContact CZ-OE1 3.3Å; R55-E59 IonicContact NE-OE1 2.75Å; R55-E59 PolarHBondContact NE-OE1 2.86Å; R55-E59 IonicContact NH2-OE1 2.95Å; R55-E59 PolarHBondContact NH2-OE1 3.32Å; R55-E59 WeakPolarHBondContact O-CB 3.35Å; R55-E59 WeakPolarHBondContact O-CG 3.37Å; R55-E59 PolarHBondContact O-N 2.84Å; A56-E59 PolarHBondContact O-N 2.88Å; E59-C61 VanDerWaalsContact C-N 3.25Å; E59-C61 PolarHBondContact O-N 3.29Å; E59-N62 PolarHBondContact O-N 3.45Å; E59-N62 VanDerWaalsContact O-N 3.07Å
60L92.2Very high93.3Very high150 Ų15073.6 Ų73.679%0.78542%0.416SS*.Hα-helixtrans-62.3-32.4173.5-71.6172.5000112.8A56 A57 A58 N62A56-L60 WeakPolarHBondContact O-CG 3.3Å; A56-L60 PolarHBondContact O-N 3.33Å; A57-L60 PolarHBondContact O-N 3.11Å; A58-L60 VanDerWaalsContact C-N 3.35Å; A58-L60 PolarHBondContact O-N 3.45Å; L60-N62 VanDerWaalsContact C-N 3.33Å
61C91.5Very high93.2Very high72 Ų7275 Ų7549%0.48642%0.424SS..THydrogen-bonded Turntrans-86.71.1176.1-65.30000113.5A57 A58 E59 H63A57-C61 PolarHBondContact O-N 3.29Å; A57-C61 PolarHBondContact O-SG 3.37Å; A58-C61 CarbonylContact O-C 3.5Å; A58-C61 PolarHBondContact O-N 3.43Å; A58-C61 VanDerWaalsContact O-N 3.13Å; E59-C61 VanDerWaalsContact C-N 3.25Å; E59-C61 PolarHBondContact O-N 3.29Å; C61-H63 PolarHBondContact O-N 3.32Å
62N90.7Very high93.2Very high147 Ų14776.8 Ų76.879%0.78643%0.426SS*.THydrogen-bonded Turntrans56.727.7-169.7-61-64.9000114.2A58 E59 L60A58-N62 PolarHBondContact O-N 3Å; A58-N62 VanDerWaalsContact O-N 3.14Å; E59-N62 PolarHBondContact O-N 3.45Å; E59-N62 VanDerWaalsContact O-N 3.07Å; L60-N62 VanDerWaalsContact C-N 3.33Å
63H91Very high93Very high83 Ų8376.5 Ų76.538%0.38442%0.424SS..  trans-81135.8172.7-70.7174.8000111A58 C61 D70A58-H63 HydrophobicContact CB-CB 4.06Å; A58-H63 PolarHBondContact O-N 2.94Å; C61-H63 PolarHBondContact O-N 3.32Å; H63-D70 IonicContact ND1-OD2 3.74Å
64V89.7Confident93Very high134 Ų13475.8 Ų75.881%0.81242%0.416SS*.SBendtrans-86.4-24.8171.3-176.30000111.4
65M91.9Very high92.9Very high145 Ų14577 Ų7771%0.71442%0.422SS*.SBendtrans-116.4134.1-178.1-63.7-67.9163.200109.2T67M65-T67 PolarHBondContact O-N 3.37Å
66L92.9Very high92.8Very high96 Ų9672.8 Ų72.850%0.50342%0.417SS..  trans-65.1126.2175.9-81.969.1000109.7S54S54-L66 VanDerWaalsContact CB-CD2 3.49Å
67T93.3Very high92.7Very high44 Ų4476.3 Ų76.327%0.2743%0.429SS..  trans-93.8155.2171.768.40000110.1M65 S69 D70 V71M65-T67 PolarHBondContact O-N 3.37Å; T67-S69 PolarHBondContact O-N 3.02Å; T67-S69 VanDerWaalsContact O-N 3.17Å; T67-D70 WeakPolarHBondContact CB-OD2 3.37Å; T67-D70 PolarHBondContact N-OD2 3.29Å; T67-D70 WeakPolarHBondContact O-CB 3.32Å; T67-D70 PolarHBondContact O-N 2.95Å; T67-D70 PolarHBondContact OG1-N 2.75Å; T67-D70 PolarHBondContact OG1-OD1 3.43Å; T67-D70 PolarHBondContact OG1-OD2 2.88Å; T67-V71 PolarHBondContact O-N 3.07Å
68P92.5Very high92.7Very high98 Ų9879.9 Ų79.964%0.63644%0.443SS*.Hα-helixtrans-59.6-27.5176.424.3-34.4000112.3D70 V71 I72P68-D70 VanDerWaalsContact C-N 3.33Å; P68-D70 PolarHBondContact O-N 3.2Å; P68-V71 PolarHBondContact O-N 3.22Å; P68-I72 VanDerWaalsContact O-CG1 3.24Å; P68-I72 WeakPolarHBondContact O-CG1 3.41Å; P68-I72 PolarHBondContact O-N 3.35Å
69S92.2Very high92.6Very high79 Ų7982.6 Ų82.655%0.55247%0.472SS*.Hα-helixtrans-61.9-38.6174.1-55.30000112.4T67 V71 I72 L73T67-S69 PolarHBondContact O-N 3.02Å; T67-S69 VanDerWaalsContact O-N 3.17Å; S69-V71 VanDerWaalsContact C-N 3.32Å; S69-V71 PolarHBondContact O-N 3.43Å; S69-I72 PolarHBondContact O-N 3Å; S69-L73 WeakPolarHBondContact O-CB 3.35Å; S69-L73 PolarHBondContact O-N 3.32Å
70D94.5Very high92.3Very high6 Ų682.5 Ų82.53%0.03247%0.47CS..Hα-helixtrans-65.3-37.9178.1-54.1-41.3000110.9A57 H63 T67 P68 T74A57-D70 HydrophobicContact CB-CB 4.2Å; H63-D70 IonicContact ND1-OD2 3.74Å; T67-D70 WeakPolarHBondContact CB-OD2 3.37Å; T67-D70 PolarHBondContact N-OD2 3.29Å; T67-D70 WeakPolarHBondContact O-CB 3.32Å; T67-D70 PolarHBondContact O-N 2.95Å; T67-D70 PolarHBondContact OG1-N 2.75Å; T67-D70 PolarHBondContact OG1-OD1 3.43Å; T67-D70 PolarHBondContact OG1-OD2 2.88Å; P68-D70 VanDerWaalsContact C-N 3.33Å; P68-D70 PolarHBondContact O-N 3.2Å; D70-T74 WeakPolarHBondContact O-CG2 3.4Å; D70-T74 PolarHBondContact O-N 2.94Å; D70-T74 VanDerWaalsContact O-N 3.12Å; D70-T74 PolarHBondContact O-OG1 3.47Å
71V93.5Very high92.1Very high49 Ų4979.3 Ų79.330%0.29746%0.458SS..Hα-helixtrans-71.3-41.3175.9-174.30000111.3V50 T67 P68 S69 L73 T74 L75V50-V71 HydrophobicContact CG1-CG1 4.38Å; T67-V71 PolarHBondContact O-N 3.07Å; P68-V71 PolarHBondContact O-N 3.22Å; S69-V71 VanDerWaalsContact C-N 3.32Å; S69-V71 PolarHBondContact O-N 3.43Å; V71-L73 VanDerWaalsContact C-N 3.34Å; V71-T74 WeakPolarHBondContact CA-OG1 3.47Å; V71-T74 PolarHBondContact O-N 3.07Å; V71-T74 PolarHBondContact O-OG1 2.91Å; V71-L75 HydrophobicContact CG1-CD1 4.1Å; V71-L75 HydrophobicContact CG1-CG 4.41Å; V71-L75 WeakPolarHBondContact O-CB 3.3Å; V71-L75 VanDerWaalsContact O-CG 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.37Å; V71-L75 PolarHBondContact O-N 3.31Å
72I93.6Very high91.9Very high88 Ų8877.8 Ų77.845%0.45145%0.446SS..Hα-helixtrans-62.8-43.3176.9-71.6165.7000110.6P68 S69 T74 L75 A76 V82P68-I72 VanDerWaalsContact O-CG1 3.24Å; P68-I72 WeakPolarHBondContact O-CG1 3.41Å; P68-I72 PolarHBondContact O-N 3.35Å; S69-I72 PolarHBondContact O-N 3Å; I72-T74 VanDerWaalsContact C-N 3.35Å; I72-L75 PolarHBondContact O-N 3.23Å; I72-A76 WeakPolarHBondContact O-CB 3.35Å; I72-A76 PolarHBondContact O-N 2.96Å; I72-V82 HydrophobicContact CG1-CG1 4.19Å; I72-V82 HydrophobicContact CG2-CG1 4.17Å; I72-V82 HydrophobicContact CG2-CG2 4.29Å
73L92.3Very high91.7Very high89 Ų8974.5 Ų74.547%0.46644%0.44SS..Hα-helixtrans-61.1-45.4177.9-177.562.7000110.9A57 S69 V71 A76 D77A57-L73 HydrophobicContact CB-CD2 4.26Å; S69-L73 WeakPolarHBondContact O-CB 3.35Å; S69-L73 PolarHBondContact O-N 3.32Å; V71-L73 VanDerWaalsContact C-N 3.34Å; L73-A76 CarbonylContact O-C 3.59Å; L73-A76 WeakPolarHBondContact O-CA 3.49Å; L73-A76 WeakPolarHBondContact O-CB 3.49Å; L73-A76 PolarHBondContact O-N 3.42Å; L73-A76 VanDerWaalsContact O-N 3.13Å; L73-D77 PolarHBondContact O-N 3.1Å
74T94.3Very high91.4Very high5 Ų573.1 Ų73.13%0.03144%0.439CS..Hα-helixtrans-72.3-34.3-177.953.20000113.1G53 S54 A57 D70 V71 I72 A76 D77 F78G53-T74 VanDerWaalsContact O-CG2 3.22Å; G53-T74 WeakPolarHBondContact O-CG2 3.38Å; S54-T74 PolarHBondContact OG-OG1 3.08Å; S54-T74 VanDerWaalsContact OG-OG1 3.1Å; A57-T74 HydrophobicContact CB-CG2 4.01Å; D70-T74 WeakPolarHBondContact O-CG2 3.4Å; D70-T74 PolarHBondContact O-N 2.94Å; D70-T74 VanDerWaalsContact O-N 3.12Å; D70-T74 PolarHBondContact O-OG1 3.47Å; V71-T74 WeakPolarHBondContact CA-OG1 3.47Å; V71-T74 PolarHBondContact O-N 3.07Å; V71-T74 PolarHBondContact O-OG1 2.91Å; I72-T74 VanDerWaalsContact C-N 3.35Å; T74-A76 VanDerWaalsContact C-N 3.31Å; T74-D77 PolarHBondContact O-N 3.19Å; T74-F78 WeakPolarHBondContact O-CD2 3.44Å; T74-F78 WeakPolarHBondContact O-CG 3.44Å; T74-F78 PolarHBondContact O-N 3.48Å
75L94Very high91Very high27 Ų2770.5 Ų70.514%0.14142%0.421CS..Hα-helixtrans-62.6-40168.4-71.9173.1000111.2F46 V50 V71 I72 F78 G79 F80 L85F46-L75 HydrophobicContact CZ-CD2 4.29Å; V50-L75 HydrophobicContact CG1-CD2 4.47Å; V50-L75 HydrophobicContact CG2-CD2 4.22Å; V71-L75 HydrophobicContact CG1-CD1 4.1Å; V71-L75 HydrophobicContact CG1-CG 4.41Å; V71-L75 WeakPolarHBondContact O-CB 3.3Å; V71-L75 VanDerWaalsContact O-CG 3.26Å; V71-L75 WeakPolarHBondContact O-CG 3.37Å; V71-L75 PolarHBondContact O-N 3.31Å; I72-L75 PolarHBondContact O-N 3.23Å; L75-F78 PolarHBondContact O-N 2.99Å; L75-G79 PolarHBondContact O-N 2.89Å; L75-F80 HydrophobicContact CB-CB 4.23Å; L75-F80 HydrophobicContact CD2-CB 4.4Å; L75-F80 HydrophobicContact CD2-CG 4.46Å; L75-F80 WeakPolarHBondContact O-CB 3.44Å; L75-F80 PolarHBondContact O-N 3.39Å; L75-L85 HydrophobicContact CD1-CD1 4.39Å
76A92.8Very high90.5Very high51 Ų5171.3 Ų71.342%0.42143%0.427SS..Hα-helixtrans-64.6-40.217500000112I72 L73 T74 F78 G79 V82I72-A76 WeakPolarHBondContact O-CB 3.35Å; I72-A76 PolarHBondContact O-N 2.96Å; L73-A76 CarbonylContact O-C 3.59Å; L73-A76 WeakPolarHBondContact O-CA 3.49Å; L73-A76 WeakPolarHBondContact O-CB 3.49Å; L73-A76 PolarHBondContact O-N 3.42Å; L73-A76 VanDerWaalsContact O-N 3.13Å; T74-A76 VanDerWaalsContact C-N 3.31Å; A76-F78 VanDerWaalsContact C-N 3.33Å; A76-F78 PolarHBondContact O-N 3.37Å; A76-G79 WeakPolarHBondContact O-CA 3.41Å; A76-G79 PolarHBondContact O-N 3.25Å; A76-V82 HydrophobicContact CB-CG2 4.39Å
77D92.9Very high89.9Confident122 Ų12271.7 Ų71.765%0.65244%0.437SS*.Hα-helixtrans-64.1-35.4176.6-71.8-23.2000112.5L73 T74 G79L73-D77 PolarHBondContact O-N 3.1Å; T74-D77 PolarHBondContact O-N 3.19Å; D77-G79 PolarHBondContact O-N 3.46Å
78F92.5Very high89Confident84 Ų8473 Ų7337%0.36844%0.441SS..THydrogen-bonded Turntrans-75.8-0.4171.8-64.6-44.9000114.2E49 V50 T74 L75 A76 F80E49-F78 HydrophobicContact CB-CZ 4.4Å; E49-F78 HydrophobicContact CG-CE1 4.01Å; E49-F78 HydrophobicContact CG-CE2 4.46Å; E49-F78 HydrophobicContact CG-CZ 3.66Å; V50-F78 HydrophobicContact CB-CE2 4.46Å; V50-F78 HydrophobicContact CG2-CD2 4.02Å; V50-F78 HydrophobicContact CG2-CE2 3.85Å; T74-F78 WeakPolarHBondContact O-CD2 3.44Å; T74-F78 WeakPolarHBondContact O-CG 3.44Å; T74-F78 PolarHBondContact O-N 3.48Å; L75-F78 PolarHBondContact O-N 2.99Å; A76-F78 VanDerWaalsContact C-N 3.33Å; A76-F78 PolarHBondContact O-N 3.37Å; F78-F80 HydrophobicContact CB-CD2 4.04Å
79G91.9Very high87.9Confident61 Ų6175 Ų7563%0.62944%0.44SS*.THydrogen-bonded Turntrans77.919.2-179.200000114.3L75 A76 D77L75-G79 PolarHBondContact O-N 2.89Å; A76-G79 WeakPolarHBondContact O-CA 3.41Å; A76-G79 PolarHBondContact O-N 3.25Å; D77-G79 PolarHBondContact O-N 3.46Å
80F88.3Confident86.9Confident103 Ų10379.7 Ų79.745%0.45245%0.451SS..  trans-79.1126.4174-86.5-90.5000111.1F46 L75 F78 V82F46-F80 HydrophobicContact CD2-CE2 4.46Å; F46-F80 HydrophobicContact CE2-CD2 4.16Å; F46-F80 AromaticContact CE2-CE2 3.35Å; F46-F80 HydrophobicContact CE2-CE2 3.35Å; F46-F80 AromaticContact CE2-CZ 3.83Å; F46-F80 HydrophobicContact CE2-CZ 3.83Å; F46-F80 HydrophobicContact CZ-CD2 4.11Å; F46-F80 HydrophobicContact CZ-CE1 4.46Å; F46-F80 AromaticContact CZ-CE2 3.48Å; F46-F80 HydrophobicContact CZ-CE2 3.48Å; F46-F80 VanDerWaalsContact CZ-CE2 3.48Å; F46-F80 AromaticContact CZ-CZ 3.68Å; F46-F80 HydrophobicContact CZ-CZ 3.68Å; L75-F80 HydrophobicContact CB-CB 4.23Å; L75-F80 HydrophobicContact CD2-CB 4.4Å; L75-F80 HydrophobicContact CD2-CG 4.46Å; L75-F80 WeakPolarHBondContact O-CB 3.44Å; L75-F80 PolarHBondContact O-N 3.39Å; F78-F80 HydrophobicContact CB-CD2 4.04Å; F80-V82 PolarHBondContact O-N 2.92Å
81P88.3Confident85.5Confident82 Ų8285.9 Ų85.953%0.53248%0.479SS..  trans-72.693176.627.5-31.7000110.3A83 S84P81-A83 PolarHBondContact O-N 2.78Å; P81-A83 VanDerWaalsContact O-N 3.11Å; P81-S84 WeakPolarHBondContact CG-OG 3.33Å; P81-S84 PolarHBondContact O-N 3.13Å; P81-S84 PolarHBondContact O-OG 3.45Å
82V86.9Confident84.1Confident40 Ų4085.6 Ų85.624%0.24248%0.476CS..G310 helixtrans-59.4-29.1-176.6-141.90000112.5I72 A76 F80 S84 L85I72-V82 HydrophobicContact CG1-CG1 4.19Å; I72-V82 HydrophobicContact CG2-CG1 4.17Å; I72-V82 HydrophobicContact CG2-CG2 4.29Å; A76-V82 HydrophobicContact CB-CG2 4.39Å; F80-V82 PolarHBondContact O-N 2.92Å; V82-S84 VanDerWaalsContact C-N 3.3Å; V82-S84 PolarHBondContact O-N 3.29Å; V82-L85 HydrophobicContact CG1-CD1 3.86Å; V82-L85 WeakPolarHBondContact O-CB 3.49Å; V82-L85 PolarHBondContact O-N 3.44Å
83A86.3Confident82.8Confident78 Ų7888 Ų8865%0.64548%0.483SS*.G310 helixtrans-63.7-31.5175.600000113.3P81 L85 L86P81-A83 PolarHBondContact O-N 2.78Å; P81-A83 VanDerWaalsContact O-N 3.11Å; A83-L85 VanDerWaalsContact C-N 3.26Å; A83-L85 PolarHBondContact O-N 2.89Å; A83-L86 PolarHBondContact O-N 3.46Å
84S84.4Confident81.5Confident54 Ų5490.9 Ų90.938%0.37849%0.494SS..G310 helixtrans-73.7-18.918068.80000112.9P81 V82 L86 S87 M88P81-S84 WeakPolarHBondContact CG-OG 3.33Å; P81-S84 PolarHBondContact O-N 3.13Å; P81-S84 PolarHBondContact O-OG 3.45Å; V82-S84 VanDerWaalsContact C-N 3.3Å; V82-S84 PolarHBondContact O-N 3.29Å; S84-L86 PolarHBondContact O-N 3.3Å; S84-S87 PolarHBondContact O-N 3.1Å; S84-M88 PolarHBondContact O-N 3.07Å
85L82Confident80.1Confident80 Ų8092.5 Ų92.542%0.41950%0.504SS..G310 helixtrans-58.9-33.4175.9-65.9178.3000111.4L75 V82 A83 S87 M88L75-L85 HydrophobicContact CD1-CD1 4.39Å; V82-L85 HydrophobicContact CG1-CD1 3.86Å; V82-L85 WeakPolarHBondContact O-CB 3.49Å; V82-L85 PolarHBondContact O-N 3.44Å; A83-L85 VanDerWaalsContact C-N 3.26Å; A83-L85 PolarHBondContact O-N 2.89Å; L85-S87 VanDerWaalsContact C-N 3.29Å; L85-S87 PolarHBondContact O-N 3.05Å; L85-M88 HydrophobicContact CD2-SD 3.75Å; L85-M88 PolarHBondContact O-N 2.98Å
86L81.6Confident78.7Confident161 Ų16196.4 Ų96.484%0.84353%0.529SS*.G310 helixtrans-69.3-25.9176.3-66.1170.3000113A83 S84A83-L86 PolarHBondContact O-N 3.46Å; S84-L86 PolarHBondContact O-N 3.3Å
87S80.5Confident77.5Confident104 Ų10496.8 Ų96.873%0.72753%0.526SS*.G310 helixtrans-90.7-7178.9-540000113.4S84 L85 K89S84-S87 PolarHBondContact O-N 3.1Å; L85-S87 VanDerWaalsContact C-N 3.29Å; L85-S87 PolarHBondContact O-N 3.05Å; S87-K89 PolarHBondContact O-N 3.25Å
88M74.3Confident76.2Confident71 Ų7193 Ų9335%0.3551%0.508SS..SBendtrans-62.2133.4179.3-73.2-172.565.500110.7S84 L85 K90 L92 F93S84-M88 PolarHBondContact O-N 3.07Å; L85-M88 HydrophobicContact CD2-SD 3.75Å; L85-M88 PolarHBondContact O-N 2.98Å; M88-K90 PolarHBondContact O-N 2.88Å; M88-L92 HydrophobicContact CE-CD1 3.99Å; M88-F93 HydrophobicContact CB-CE2 4.07Å; M88-F93 HydrophobicContact CB-CZ 3.97Å
89K69.3Low75Confident142 Ų14297.3 Ų97.362%0.61753%0.529SS*.  trans-56130.6-177.9-71.7-172.4173.2-169.60110.2S87 E91 L92S87-K89 PolarHBondContact O-N 3.25Å; K89-E91 HydrophobicContact CB-CB 4.44Å; K89-E91 PolarHBondContact O-N 3.43Å; K89-L92 HydrophobicContact CB-CD1 4.27Å; K89-L92 HydrophobicContact CB-CG 4.24Å; K89-L92 WeakPolarHBondContact O-CB 3.42Å; K89-L92 PolarHBondContact O-N 3.42Å
90K71.7Confident73.6Confident177 Ų17798.2 Ų98.277%0.7753%0.525SS*.G310 helixtrans-52.8-31.7175.6-70.3-172.5178.8-1800112.9M88 L92 F93M88-K90 PolarHBondContact O-N 2.88Å; K90-L92 PolarHBondContact O-N 3.49Å; K90-F93 PolarHBondContact O-N 3.47Å; K90-F93 VanDerWaalsContact O-N 3.08Å
91E63.8Low72.5Confident135 Ų13598.1 Ų98.163%0.63153%0.528SS*.G310 helixtrans-58-32176-63.4170.6174.600113.1K89 F93 Q94K89-E91 HydrophobicContact CB-CB 4.44Å; K89-E91 PolarHBondContact O-N 3.43Å; E91-F93 VanDerWaalsContact C-N 3.29Å; E91-F93 PolarHBondContact O-N 3.47Å; E91-Q94 PolarHBondContact O-N 2.83Å
92L65.2Low71.2Confident43 Ų4399.6 Ų99.623%0.22554%0.537CS..G310 helixtrans-72.7-24178.3-63.6170000112.3F22 M88 K89 K90 Q94F22-L92 HydrophobicContact CD2-CD2 4.35Å; F22-L92 HydrophobicContact CE2-CD2 3.83Å; M88-L92 HydrophobicContact CE-CD1 3.99Å; K89-L92 HydrophobicContact CB-CD1 4.27Å; K89-L92 HydrophobicContact CB-CG 4.24Å; K89-L92 WeakPolarHBondContact O-CB 3.42Å; K89-L92 PolarHBondContact O-N 3.42Å; K90-L92 PolarHBondContact O-N 3.49Å; L92-Q94 VanDerWaalsContact C-N 3.31Å
93F65.6Low70.1Confident139 Ų139103.3 Ų103.361%0.6156%0.559SS**G310 helixtrans-82.5-9.4176-59.1-70.1000113M88 K90 E91 V95M88-F93 HydrophobicContact CB-CE2 4.07Å; M88-F93 HydrophobicContact CB-CZ 3.97Å; K90-F93 PolarHBondContact O-N 3.47Å; K90-F93 VanDerWaalsContact O-N 3.08Å; E91-F93 VanDerWaalsContact C-N 3.29Å; E91-F93 PolarHBondContact O-N 3.47Å; F93-V95 PolarHBondContact O-N 2.89Å
94Q65.1Low68.9Low149 Ų149107.6 Ų107.670%0.69657%0.566SS**G310 helixtrans-86.915.3179.1-67.8-173.4-2000113.4E91 L92 T96E91-Q94 PolarHBondContact O-N 2.83Å; L92-Q94 VanDerWaalsContact C-N 3.31Å; Q94-T96 PolarHBondContact O-N 3.17Å; Q94-T96 PolarHBondContact O-OG1 3.06Å
95V63.9Low67.6Low39 Ų39109.6 Ų109.624%0.23658%0.58CS.*  trans-69.785.4173.3-179.30000109R21 F93 V97R21-V95 HydrophobicContact CB-CG1 3.64Å; F93-V95 PolarHBondContact O-N 2.89Å; V95-V97 PolarHBondContact O-N 3.06Å; V95-V97 VanDerWaalsContact O-N 3.13Å
96T66.3Low66.5Low110 Ų110112 Ų11268%0.67560%0.598SS**  trans-69108.2173.7-49.80000108.7R21 Q94R21-T96 PolarHBondContact NE-O 3.3Å; R21-T96 PolarHBondContact NH1-O 3.31Å; Q94-T96 PolarHBondContact O-N 3.17Å; Q94-T96 PolarHBondContact O-OG1 3.06Å
97V66.2Low65.3Low59 Ų59112.9 Ų112.936%0.35860%0.598SS.*PPolyproline II helixtrans-75.4135.8170.1-172.20000107.6A18 V95 E99A18-V97 HydrophobicContact CB-CG2 3.64Å; V95-V97 PolarHBondContact O-N 3.06Å; V95-V97 VanDerWaalsContact O-N 3.13Å; V97-E99 PolarHBondContact O-N 3.45Å
98P66.1Low64.2Low41 Ų41110.1 Ų110.127%0.26659%0.586SS.*PPolyproline II helixtrans-57.6141.8172.825.4-35.7000108.8W13 V17W13-P98 HydrophobicContact CH2-CG 4.11Å; W13-P98 HydrophobicContact CZ3-CG 4.15Å; V17-P98 HydrophobicContact CG1-CG 3.92Å
99E66.4Low63.5Low175 Ų175114.7 Ų114.782%0.81861%0.612SS**PPolyproline II helixtrans-49.8130.3179.2-164.9168.8-173.300109.9V97 I101V97-E99 PolarHBondContact O-N 3.45Å; E99-I101 PolarHBondContact O-N 3.4Å
100P63Low63Low81 Ų81113 Ų11353%0.52661%0.613SS.*PPolyproline II helixtrans-57.7132.3-18022-30.8000109.2P102P100-P102 WeakPolarHBondContact O-CD 3.39Å; P100-P102 VanDerWaalsContact O-N 3.15Å
101I65.5Low62.6Low101 Ų101112.5 Ų112.552%0.51861%0.611SS.*PPolyproline II helixtrans-55.9121.7177.9-57.2164.4000107E99 V103E99-I101 PolarHBondContact O-N 3.4Å; I101-V103 PolarHBondContact O-N 3.04Å
102P60.9Low62.5Low112 Ų112115.8 Ų115.873%0.72762%0.618SS**PPolyproline II helixtrans-56.2117.7176.4-2130.4000108.2P100 E104P100-P102 WeakPolarHBondContact O-CD 3.39Å; P100-P102 VanDerWaalsContact O-N 3.15Å; P102-E104 VanDerWaalsContact C-N 3.31Å; P102-E104 PolarHBondContact O-N 2.94Å
103V64.2Low62.3Low118 Ų118117.1 Ų117.172%0.71563%0.628SS**  trans-73.298.5168.3-167.90000104.3P10 I101 S105P10-V103 HydrophobicContact CG-CG2 4.21Å; I101-V103 PolarHBondContact O-N 3.04Å; V103-S105 PolarHBondContact O-N 3.02Å
104E61.3Low62.1Low168 Ų168113.2 Ų113.279%0.78563%0.627SS**  trans-53.8112.3169.6-74.6-178.8170.400106.8P102 V106P102-E104 VanDerWaalsContact C-N 3.31Å; P102-E104 PolarHBondContact O-N 2.94Å; E104-V106 VanDerWaalsContact C-N 3.27Å; E104-V106 PolarHBondContact O-N 2.87Å
105S57.2Low62.3Low97 Ų97115.5 Ų115.568%0.67863%0.634SS**  trans-63.799.5168.1500000105.8V103 E107V103-S105 PolarHBondContact O-N 3.02Å; S105-E107 PolarHBondContact O-N 2.79Å
106V58.5Low62.3Low129 Ų129115.8 Ų115.878%0.78264%0.641SS**  trans-65.590.4168.5-174.40000105.3E104 G108E104-V106 VanDerWaalsContact C-N 3.27Å; E104-V106 PolarHBondContact O-N 2.87Å; V106-G108 PolarHBondContact O-N 2.81Å
107E56.6Low62.5Low180 Ų180117.7 Ų117.784%0.84164%0.64SS**  trans-6388.4159-67.9-170171.100105.3S105 D109S105-E107 PolarHBondContact O-N 2.79Å; E107-D109 PolarHBondContact O-N 3.25Å
108G56.3Low62.9Low47 Ų47119.9 Ų119.949%0.48566%0.655SS.*  trans-54.3124.8177.400000108.1V106 V110V106-G108 PolarHBondContact O-N 2.81Å; G108-V110 PolarHBondContact O-N 3.17Å
109D60.1Low63.3Low166 Ų166121 Ų12189%0.88866%0.656SS**  trans-54.9106.1-179.3-153.65000108.2E107 F111E107-D109 PolarHBondContact O-N 3.25Å; D109-F111 PolarHBondContact O-N 3.49Å; D109-F111 VanDerWaalsContact O-N 3.09Å
110V58.8Low64Low107 Ų107117.4 Ų117.465%0.64864%0.638SS**  trans-67117.6-170.3-178.90000107.2G108 R112G108-V110 PolarHBondContact O-N 3.17Å; V110-R112 WeakPolarHBondContact O-CG 3.22Å; V110-R112 PolarHBondContact O-N 2.98Å
111F62.8Low65Low167 Ų167119 Ų11973%0.73266%0.658SS**  trans-56.4104.1-179.3-143.8-103.1000110D109 V113 N132 H134D109-F111 PolarHBondContact O-N 3.49Å; D109-F111 VanDerWaalsContact O-N 3.09Å; F111-V113 HydrophobicContact CD1-CG2 3.44Å; F111-V113 VanDerWaalsContact CD1-CG2 3.44Å; F111-V113 HydrophobicContact CE1-CG2 3.64Å; F111-V113 PolarHBondContact O-N 3.19Å; F111-N132 PolarHBondContact O-ND2 3.11Å; F111-H134 PolarHBondContact O-CE1 2.82Å
112R61.7Low66.1Low203 Ų203122.5 Ų122.577%0.76667%0.666SS**  trans-88.6102.2-179.5-70.2-171.5-174.1-161.62.5109.5V110V110-R112 WeakPolarHBondContact O-CG 3.22Å; V110-R112 PolarHBondContact O-N 2.98Å
113V61.5Low67.3Low71 Ų71118.7 Ų118.743%0.4364%0.639SS.*  trans-122.4118173.8-178.80000109.3F111 H134F111-V113 HydrophobicContact CD1-CG2 3.44Å; F111-V113 VanDerWaalsContact CD1-CG2 3.44Å; F111-V113 HydrophobicContact CE1-CG2 3.64Å; F111-V113 PolarHBondContact O-N 3.19Å; V113-H134 PolarHBondContact O-ND1 3.25Å
114G62.5Low68.2Low57 Ų57116.2 Ų116.259%0.58863%0.625SS**SBendtrans96.8165.3-179.200000113.8
115K67.6Low69.2Low198 Ų198113 Ų11386%0.86163%0.627SS**PPolyproline II helixtrans-76.3124.8168.2-65.8-176.4-179.4-179.80108K117K115-K117 PolarHBondContact O-N 3.26Å
116A65.4Low70.7Confident45 Ų45116 Ų11637%0.37263%0.63SS.*PPolyproline II helixtrans-56.6131.7172.100000109
117K70.9Confident72Confident149 Ų149113.9 Ų113.965%0.64861%0.614SS**PPolyproline II helixtrans-69.1121.9178.8-151.9172.6-174179.30107K115K115-K117 PolarHBondContact O-N 3.26Å
118P73.4Confident73.1Confident106 Ų106111.5 Ų111.569%0.68861%0.612SS**PPolyproline II helixtrans-60.4148.5-17924.7-32.7000109.8
119F75.5Confident74.1Confident63 Ų63115.6 Ų115.628%0.27662%0.619SS.*PPolyproline II helixtrans-56.9142.5173-87.7-56.6000110.6I123 L127 T128 F130F119-I123 HydrophobicContact CB-CB 4.34Å; F119-I123 HydrophobicContact CD1-CB 3.8Å; F119-I123 HydrophobicContact CD1-CD1 3.62Å; F119-I123 HydrophobicContact CD1-CG1 4.29Å; F119-I123 HydrophobicContact CD1-CG2 3.52Å; F119-I123 HydrophobicContact CE1-CB 4.34Å; F119-I123 HydrophobicContact CE1-CD1 4.09Å; F119-I123 HydrophobicContact CE1-CG2 3.56Å; F119-I123 HydrophobicContact CG-CB 4.24Å; F119-I123 HydrophobicContact CG-CG2 4.1Å; F119-I123 HydrophobicContact CZ-CG2 4.13Å; F119-L127 WeakPolarHBondContact CE2-O 3.47Å; F119-L127 HydrophobicContact CZ-CB 4.22Å; F119-T128 WeakPolarHBondContact CZ-O 3.25Å; F119-F130 AromaticContact CD1-CD2 3.69Å; F119-F130 HydrophobicContact CD1-CD2 3.69Å; F119-F130 AromaticContact CD1-CE2 3.29Å; F119-F130 HydrophobicContact CD1-CE2 3.29Å; F119-F130 HydrophobicContact CD1-CG 4.48Å; F119-F130 AromaticContact CD1-CZ 3.79Å; F119-F130 HydrophobicContact CD1-CZ 3.79Å; F119-F130 HydrophobicContact CE1-CD1 4.25Å; F119-F130 AromaticContact CE1-CD2 3.78Å; F119-F130 HydrophobicContact CE1-CD2 3.78Å; F119-F130 HydrophobicContact CE1-CE1 4.04Å; F119-F130 AromaticContact CE1-CE2 3.57Å; F119-F130 HydrophobicContact CE1-CE2 3.57Å; F119-F130 HydrophobicContact CE1-CG 4.12Å; F119-F130 AromaticContact CE1-CZ 3.7Å; F119-F130 HydrophobicContact CE1-CZ 3.7Å; F119-F130 HydrophobicContact CG-CE2 4.37Å
120F81Confident74.9Confident100 Ų100110.9 Ų110.944%0.43959%0.59SS.*PPolyproline II helixtrans-65.7149.8167.4-58-70.3000109.6Y122 I123 F130F120-Y122 HydrophobicContact CB-CD1 3.6Å; F120-Y122 HydrophobicContact CB-CE1 3.19Å; F120-Y122 HydrophobicContact CB-CG 4.42Å; F120-Y122 AromaticContact CD2-CE1 3.98Å; F120-Y122 HydrophobicContact CD2-CE1 3.98Å; F120-Y122 AromaticContact CD2-CZ 3.81Å; F120-Y122 VanDerWaalsContact CD2-OH 3.25Å; F120-Y122 WeakPolarHBondContact CD2-OH 3.36Å; F120-Y122 AromaticContact CG-CE1 3.7Å; F120-Y122 HydrophobicContact CG-CE1 3.7Å; F120-Y122 PolarHBondContact O-N 3.09Å; F120-I123 HydrophobicContact CB-CD1 4.31Å; F120-I123 HydrophobicContact CD2-CD1 4.03Å; F120-I123 PolarHBondContact O-N 2.88Å; F120-F130 HydrophobicContact CD2-CE2 4.35Å; F120-F130 HydrophobicContact CE2-CE2 4.47Å
121A83.9Confident75.7Confident114 Ų114109 Ų10994%0.94258%0.581SS**THydrogen-bonded Turntrans-59.1-18.2-174.100000115.2
122Y88.8Confident76Confident176 Ų176102.2 Ų102.269%0.6955%0.552SS**THydrogen-bonded Turntrans-85.4-6.9177.863.1-96.9000113.9F120F120-Y122 HydrophobicContact CB-CD1 3.6Å; F120-Y122 HydrophobicContact CB-CE1 3.19Å; F120-Y122 HydrophobicContact CB-CG 4.42Å; F120-Y122 AromaticContact CD2-CE1 3.98Å; F120-Y122 HydrophobicContact CD2-CE1 3.98Å; F120-Y122 AromaticContact CD2-CZ 3.81Å; F120-Y122 VanDerWaalsContact CD2-OH 3.25Å; F120-Y122 WeakPolarHBondContact CD2-OH 3.36Å; F120-Y122 AromaticContact CG-CE1 3.7Å; F120-Y122 HydrophobicContact CG-CE1 3.7Å; F120-Y122 PolarHBondContact O-N 3.09Å
123I84.5Confident76.3Confident32 Ų3296 Ų9616%0.16454%0.538CS..SBendtrans-95.6123.9-176.8-58.4174.3000109.3F119 F120 L127 F130F119-I123 HydrophobicContact CB-CB 4.34Å; F119-I123 HydrophobicContact CD1-CB 3.8Å; F119-I123 HydrophobicContact CD1-CD1 3.62Å; F119-I123 HydrophobicContact CD1-CG1 4.29Å; F119-I123 HydrophobicContact CD1-CG2 3.52Å; F119-I123 HydrophobicContact CE1-CB 4.34Å; F119-I123 HydrophobicContact CE1-CD1 4.09Å; F119-I123 HydrophobicContact CE1-CG2 3.56Å; F119-I123 HydrophobicContact CG-CB 4.24Å; F119-I123 HydrophobicContact CG-CG2 4.1Å; F119-I123 HydrophobicContact CZ-CG2 4.13Å; F120-I123 HydrophobicContact CB-CD1 4.31Å; F120-I123 HydrophobicContact CD2-CD1 4.03Å; F120-I123 PolarHBondContact O-N 2.88Å; I123-L127 HydrophobicContact CG2-CD1 3.77Å; I123-F130 HydrophobicContact CD1-CE2 3.93Å; I123-F130 HydrophobicContact CD1-CZ 3.52Å
124P83.8Confident76.5Confident65 Ų6597.4 Ų97.442%0.42254%0.539SS..  trans-59.5137178.4-25.434.2000113.4H126 L127P124-H126 WeakPolarHBondContact CB-CE1 3.16Å; P124-H126 WeakPolarHBondContact CB-ND1 3.44Å; P124-H126 PolarHBondContact O-N 2.88Å; P124-H126 VanDerWaalsContact O-N 3.11Å; P124-L127 PolarHBondContact O-N 3.23Å
125A82.7Confident76.9Confident101 Ų10198.5 Ų98.584%0.83554%0.535SS*.THydrogen-bonded Turntrans-67.5-10.9-175.300000115.4L127A125-L127 VanDerWaalsContact C-N 3.29Å
126H87.6Confident76.9Confident159 Ų15994.7 Ų94.774%0.73652%0.516SS*.THydrogen-bonded Turntrans-81.3-917864.8-95.2000113.3P124P124-H126 WeakPolarHBondContact CB-CE1 3.16Å; P124-H126 WeakPolarHBondContact CB-ND1 3.44Å; P124-H126 PolarHBondContact O-N 2.88Å; P124-H126 VanDerWaalsContact O-N 3.11Å
127L86.4Confident76.7Confident86 Ų86100.7 Ų100.745%0.4554%0.54SS..SBendtrans-80.6151.4177.6-65.8171.9000111.1F119 I123 P124 A125 Q129F119-L127 WeakPolarHBondContact CE2-O 3.47Å; F119-L127 HydrophobicContact CZ-CB 4.22Å; I123-L127 HydrophobicContact CG2-CD1 3.77Å; P124-L127 PolarHBondContact O-N 3.23Å; A125-L127 VanDerWaalsContact C-N 3.29Å; L127-Q129 PolarHBondContact O-N 2.88Å
128T80.7Confident75.9Confident129 Ų129104.6 Ų104.679%0.79155%0.55SS**PPolyproline II helixtrans-66.9132.1178.354.10000111.2F119F119-T128 WeakPolarHBondContact CZ-O 3.25Å
129Q76.7Confident75.1Confident134 Ų134106 Ų10663%0.62656%0.557SS**PPolyproline II helixtrans-46.6146.7176.454.2-175.1-13.600113.9L127L127-Q129 PolarHBondContact O-N 2.88Å
130F76.7Confident74.4Confident67 Ų67107 Ų10729%0.29458%0.577SS.*PPolyproline II helixtrans-56.8144.1178.2-76-56.7000112F119 F120 I123F119-F130 AromaticContact CD1-CD2 3.69Å; F119-F130 HydrophobicContact CD1-CD2 3.69Å; F119-F130 AromaticContact CD1-CE2 3.29Å; F119-F130 HydrophobicContact CD1-CE2 3.29Å; F119-F130 HydrophobicContact CD1-CG 4.48Å; F119-F130 AromaticContact CD1-CZ 3.79Å; F119-F130 HydrophobicContact CD1-CZ 3.79Å; F119-F130 HydrophobicContact CE1-CD1 4.25Å; F119-F130 AromaticContact CE1-CD2 3.78Å; F119-F130 HydrophobicContact CE1-CD2 3.78Å; F119-F130 HydrophobicContact CE1-CE1 4.04Å; F119-F130 AromaticContact CE1-CE2 3.57Å; F119-F130 HydrophobicContact CE1-CE2 3.57Å; F119-F130 HydrophobicContact CE1-CG 4.12Å; F119-F130 AromaticContact CE1-CZ 3.7Å; F119-F130 HydrophobicContact CE1-CZ 3.7Å; F119-F130 HydrophobicContact CG-CE2 4.37Å; F120-F130 HydrophobicContact CD2-CE2 4.35Å; F120-F130 HydrophobicContact CE2-CE2 4.47Å; I123-F130 HydrophobicContact CD1-CE2 3.93Å; I123-F130 HydrophobicContact CD1-CZ 3.52Å
131P75.9Confident73.3Confident68 Ų68105.6 Ų105.644%0.44259%0.591SS.*PPolyproline II helixtrans-52.7152.3170.7-20.627.1000111.6T135 Y136P131-T135 HydrophobicContact CB-CG2 3.85Å; P131-Y136 WeakPolarHBondContact CD-OH 3.49Å; P131-Y136 WeakPolarHBondContact O-CE2 3.31Å; P131-Y136 PolarHBondContact O-OH 3.23Å
132N69.9Low72.1Confident23 Ų23107.6 Ų107.612%0.12358%0.584CS.*PPolyproline II helixtrans-59.5151.3178.8-72.8-38.5000110.8F111 H134 T135F111-N132 PolarHBondContact O-ND2 3.11Å; N132-H134 WeakPolarHBondContact CB-CE1 3.21Å; N132-H134 VanDerWaalsContact CB-ND1 3.32Å; N132-H134 WeakPolarHBondContact CB-ND1 3.44Å; N132-H134 PolarHBondContact ND2-CE1 3.03Å; N132-H134 PolarHBondContact O-N 3.47Å; N132-T135 WeakPolarHBondContact O-CA 3.33Å; N132-T135 WeakPolarHBondContact O-CB 3.4Å; N132-T135 PolarHBondContact O-N 3.33Å; N132-T135 PolarHBondContact O-OG1 2.98Å
133P67.6Low70.9Confident73 Ų73106.1 Ų106.147%0.47458%0.583SS.*G310 helixtrans-54.8-29.7-177.7-27.535.1000114.4T135P133-T135 VanDerWaalsContact C-N 3.32Å
134H66Low70.1Confident100 Ų100113.1 Ų113.146%0.46362%0.616SS.*G310 helixtrans-80.7-9177.868-89.1000113.9F111 V113 N132F111-H134 PolarHBondContact O-CE1 2.82Å; V113-H134 PolarHBondContact O-ND1 3.25Å; N132-H134 WeakPolarHBondContact CB-CE1 3.21Å; N132-H134 VanDerWaalsContact CB-ND1 3.32Å; N132-H134 WeakPolarHBondContact CB-ND1 3.44Å; N132-H134 PolarHBondContact ND2-CE1 3.03Å; N132-H134 PolarHBondContact O-N 3.47Å
135T69.2Low69.3Low80 Ų80116.3 Ų116.349%0.49162%0.623SS.*G310 helixtrans-81.1-21.3175.3-48.70000111.9P131 N132 P133 I137P131-T135 HydrophobicContact CB-CG2 3.85Å; N132-T135 WeakPolarHBondContact O-CA 3.33Å; N132-T135 WeakPolarHBondContact O-CB 3.4Å; N132-T135 PolarHBondContact O-N 3.33Å; N132-T135 PolarHBondContact O-OG1 2.98Å; P133-T135 VanDerWaalsContact C-N 3.32Å; T135-I137 PolarHBondContact O-N 2.94Å
136Y67.6Low68.8Low119 Ų119116.3 Ų116.347%0.46761%0.609SS.*SBendtrans-72.7128.9176.9-60.2-79.8000110.5P131 R138P131-Y136 WeakPolarHBondContact CD-OH 3.49Å; P131-Y136 WeakPolarHBondContact O-CE2 3.31Å; P131-Y136 PolarHBondContact O-OH 3.23Å; Y136-R138 PolarHBondContact O-N 3.34Å
137I62Low68.4Low170 Ų170115.5 Ų115.587%0.87261%0.61SS**  trans-65.299.8177.5-62.7169.4000108.4T135T135-I137 PolarHBondContact O-N 2.94Å
138R54.3Low68.4Low231 Ų231113.7 Ų113.787%0.87261%0.605SS**  trans35.793.1163.6-68.2-178.9176.1160.2-1.1115.5Y136 A140Y136-R138 PolarHBondContact O-N 3.34Å; R138-A140 PolarHBondContact O-N 3.19Å
139T57.2Low68.5Low135 Ų135115 Ų11583%0.82860%0.596SS**  trans-60.2119.3144.1-44.90000106.7G141T139-G141 PolarHBondContact O-N 3.38Å
140A59.2Low69.1Low84 Ų84115.9 Ų115.969%0.69460%0.6SS**  trans-56.3110.3171.200000107.4R138 I142R138-A140 PolarHBondContact O-N 3.19Å; A140-I142 PolarHBondContact O-N 3.28Å
141G59.7Low69.5Low71 Ų71113.7 Ų113.773%0.73259%0.593SS**  trans-60.7110.1168.700000106.3T139 Q143T139-G141 PolarHBondContact O-N 3.38Å; G141-Q143 PolarHBondContact O-N 3.44Å
142I58.6Low70.1Confident156 Ų156113.4 Ų113.480%0.859%0.587SS**  trans-64.696.3166.9-61.1170.4000104A140 E144A140-I142 PolarHBondContact O-N 3.28Å; I142-E144 PolarHBondContact O-N 3.26Å; I142-E144 VanDerWaalsContact O-N 3.08Å
143Q63.1Low71.1Confident145 Ų145119.7 Ų119.768%0.67861%0.609SS**  trans-67.1108.6164.4-168.7163.925.300104.6G141 F145G141-Q143 PolarHBondContact O-N 3.44Å; Q143-F145 VanDerWaalsContact C-N 3.3Å; Q143-F145 WeakPolarHBondContact O-CD2 3.32Å; Q143-F145 PolarHBondContact O-N 3.02Å
144E68.3Low72.3Confident180 Ų180122.1 Ų122.184%0.84161%0.614SS**  trans-60.899.4174-67.2-178172.300106.9I142I142-E144 PolarHBondContact O-N 3.26Å; I142-E144 VanDerWaalsContact O-N 3.08Å
145F67.3Low73.4Confident131 Ų131124.2 Ų124.258%0.57562%0.618SS**  trans-68.7140.2169.6-63.2-74.9000107.5Q143 N147Q143-F145 VanDerWaalsContact C-N 3.3Å; Q143-F145 WeakPolarHBondContact O-CD2 3.32Å; Q143-F145 PolarHBondContact O-N 3.02Å; F145-N147 PolarHBondContact O-N 3.15Å
146D71.2Confident74.4Confident102 Ų102125.6 Ų125.655%0.54562%0.621SS.*  trans-60.598.8175.3-147.2-25.1000108.8S148D146-S148 PolarHBondContact O-N 3.05Å; D146-S148 PolarHBondContact OD1-OG 3.03Å
147N78.5Confident75.6Confident142 Ų142122.7 Ų122.776%0.75962%0.622SS**  trans-94.920-174.8-158.815.9000111.4F145 Y149F145-N147 PolarHBondContact O-N 3.15Å; N147-Y149 PolarHBondContact O-N 3.48Å
148S86.2Confident77.1Confident47 Ų47117.1 Ų117.133%0.32960%0.598SS.*  trans-70.2122.9177.651.50000109.9D146 Q150 S151 I152D146-S148 PolarHBondContact O-N 3.05Å; D146-S148 PolarHBondContact OD1-OG 3.03Å; S148-Q150 PolarHBondContact O-N 3.05Å; S148-Q150 VanDerWaalsContact O-N 3.11Å; S148-S151 PolarHBondContact O-N 3.44Å; S148-S151 VanDerWaalsContact O-N 3.07Å; S148-S151 PolarHBondContact O-OG 3.48Å; S148-S151 WeakPolarHBondContact OG-CB 3.17Å; S148-S151 PolarHBondContact OG-OG 3.4Å; S148-I152 PolarHBondContact O-N 3.21Å
149Y84.2Confident79Confident157 Ų157113 Ų11362%0.61659%0.586SS**Hα-helixtrans-53.6-35.9-178.5178.2-101.7000113.7N147 R153N147-Y149 PolarHBondContact O-N 3.48Å; Y149-R153 HydrophobicContact CD1-CG 4.46Å; Y149-R153 HydrophobicContact CE1-CG 4.16Å; Y149-R153 VanDerWaalsContact CE1-NE 3.3Å; Y149-R153 HydrophobicContact CE2-CG 4.49Å; Y149-R153 PolarHBondContact O-N 2.85Å; Y149-R153 PolarHBondContact OH-NE 2.99Å; Y149-R153 PolarHBondContact OH-NH2 3.12Å
150Q88.7Confident80.8Confident153 Ų153112.3 Ų112.372%0.71557%0.572SS**Hα-helixtrans-62.8-48177.5-177175-1400111.8S148 I152 R153 E154S148-Q150 PolarHBondContact O-N 3.05Å; S148-Q150 VanDerWaalsContact O-N 3.11Å; Q150-I152 VanDerWaalsContact C-N 3.32Å; Q150-I152 PolarHBondContact O-N 3.29Å; Q150-R153 PolarHBondContact O-N 2.94Å; Q150-E154 WeakPolarHBondContact O-CB 3.31Å; Q150-E154 PolarHBondContact O-N 2.93Å
151S85.7Confident82.5Confident20 Ų20114.2 Ų114.214%0.1457%0.566CS.*Hα-helixtrans-65.9-36.1-179.969.10000112S148 E154 R155S148-S151 PolarHBondContact O-N 3.44Å; S148-S151 VanDerWaalsContact O-N 3.07Å; S148-S151 PolarHBondContact O-OG 3.48Å; S148-S151 WeakPolarHBondContact OG-CB 3.17Å; S148-S151 PolarHBondContact OG-OG 3.4Å; S151-E154 PolarHBondContact O-N 2.98Å; S151-R155 WeakPolarHBondContact O-CB 3.33Å; S151-R155 WeakPolarHBondContact O-CG 3.29Å; S151-R155 PolarHBondContact O-N 3.29Å
152I88Confident84.3Confident63 Ų63116 Ų11632%0.32356%0.559SS.*Hα-helixtrans-63.9-47.5175.3-62.7169.1000110.3S148 Q150 E154 R155 I156S148-I152 PolarHBondContact O-N 3.21Å; Q150-I152 VanDerWaalsContact C-N 3.32Å; Q150-I152 PolarHBondContact O-N 3.29Å; I152-E154 PolarHBondContact O-N 3.35Å; I152-R155 PolarHBondContact O-N 3.42Å; I152-I156 HydrophobicContact CG2-CD1 3.89Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.5Å; I152-I156 PolarHBondContact O-N 3.33Å
153R90.2Very high86Confident155 Ų155114 Ų11459%0.58555%0.548SS*.Hα-helixtrans-63.4-40.9177.8-82.4-159.7170.1-144.30.5112.6Y149 Q150 I156 A157Y149-R153 HydrophobicContact CD1-CG 4.46Å; Y149-R153 HydrophobicContact CE1-CG 4.16Å; Y149-R153 VanDerWaalsContact CE1-NE 3.3Å; Y149-R153 HydrophobicContact CE2-CG 4.49Å; Y149-R153 PolarHBondContact O-N 2.85Å; Y149-R153 PolarHBondContact OH-NE 2.99Å; Y149-R153 PolarHBondContact OH-NH2 3.12Å; Q150-R153 PolarHBondContact O-N 2.94Å; R153-I156 PolarHBondContact O-N 3.46Å; R153-A157 WeakPolarHBondContact O-CB 3.42Å; R153-A157 PolarHBondContact O-N 3.25Å
154E92.7Very high87.4Confident123 Ų123112.5 Ų112.558%0.57554%0.541SS*.Hα-helixtrans-62-47.3176.9-171.3171.4-170.200110.9Q150 S151 I152 I156 A157 S158Q150-E154 WeakPolarHBondContact O-CB 3.31Å; Q150-E154 PolarHBondContact O-N 2.93Å; S151-E154 PolarHBondContact O-N 2.98Å; I152-E154 PolarHBondContact O-N 3.35Å; E154-I156 VanDerWaalsContact C-N 3.35Å; E154-I156 PolarHBondContact O-N 2.96Å; E154-A157 WeakPolarHBondContact O-CB 3.33Å; E154-A157 PolarHBondContact O-N 3.2Å; E154-A157 VanDerWaalsContact O-N 3.16Å; E154-S158 PolarHBondContact O-N 2.83Å; E154-S158 PolarHBondContact O-OG 3.08Å; E154-S158 VanDerWaalsContact O-OG 3.12Å
155R90.6Very high88.5Confident145 Ų145107.6 Ų107.655%0.54752%0.523SS..Hα-helixtrans-59.3-41.4174.9-74.3-179-166.7156.38.3113.2S151 I152 K159S151-R155 WeakPolarHBondContact O-CB 3.33Å; S151-R155 WeakPolarHBondContact O-CG 3.29Å; S151-R155 PolarHBondContact O-N 3.29Å; I152-R155 PolarHBondContact O-N 3.42Å; R155-K159 WeakPolarHBondContact O-CB 3.4Å; R155-K159 WeakPolarHBondContact O-CG 3.34Å; R155-K159 PolarHBondContact O-N 3.43Å
156I90Very high89.8Confident109 Ų109105.1 Ų105.156%0.55952%0.522SS*.Hα-helixtrans-66.3-41.1177.3-67.8167.1000110.4I152 R153 E154 K159 K160I152-I156 HydrophobicContact CG2-CD1 3.89Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.5Å; I152-I156 PolarHBondContact O-N 3.33Å; R153-I156 PolarHBondContact O-N 3.46Å; E154-I156 VanDerWaalsContact C-N 3.35Å; E154-I156 PolarHBondContact O-N 2.96Å; I156-K159 PolarHBondContact O-N 2.66Å; I156-K160 WeakPolarHBondContact O-CB 3.4Å; I156-K160 PolarHBondContact O-N 3.17Å
157A92.9Very high90.8Very high57 Ų57105 Ų10547%0.47152%0.521SS..Hα-helixtrans-63.1-47.2176.900000111.5R153 E154 K159 K160 E161R153-A157 WeakPolarHBondContact O-CB 3.42Å; R153-A157 PolarHBondContact O-N 3.25Å; E154-A157 WeakPolarHBondContact O-CB 3.33Å; E154-A157 PolarHBondContact O-N 3.2Å; E154-A157 VanDerWaalsContact O-N 3.16Å; A157-K159 PolarHBondContact O-N 3.04Å; A157-K160 WeakPolarHBondContact O-CB 3.13Å; A157-K160 PolarHBondContact O-N 3.46Å; A157-E161 PolarHBondContact O-N 3.42Å
158S93.5Very high91.4Very high53 Ų53100.6 Ų100.637%0.37151%0.505SS..Hα-helixtrans-60.4-46.2176.3-56.60000111.9E154 K160 E161 D162E154-S158 PolarHBondContact O-N 2.83Å; E154-S158 PolarHBondContact O-OG 3.08Å; E154-S158 VanDerWaalsContact O-OG 3.12Å; S158-K160 VanDerWaalsContact C-N 3.27Å; S158-K160 PolarHBondContact O-N 2.92Å; S158-E161 PolarHBondContact O-N 3.26Å; S158-D162 WeakPolarHBondContact O-CB 3.27Å; S158-D162 VanDerWaalsContact O-CG 3.28Å; S158-D162 PolarHBondContact O-N 3.33Å
159K94.4Very high91.6Very high144 Ų144101.1 Ų101.163%0.62651%0.508SS*.Hα-helixtrans-58.4-38.9175.7-79.8-173.5176.2-172.10112.7R155 I156 A157 M163R155-K159 WeakPolarHBondContact O-CB 3.4Å; R155-K159 WeakPolarHBondContact O-CG 3.34Å; R155-K159 PolarHBondContact O-N 3.43Å; I156-K159 PolarHBondContact O-N 2.66Å; A157-K159 PolarHBondContact O-N 3.04Å; K159-M163 WeakPolarHBondContact O-CB 3.29Å; K159-M163 PolarHBondContact O-N 3.35Å
160K93.7Very high92Very high121 Ų12199 Ų9953%0.52650%0.502SS..Hα-helixtrans-68.4-43.3177.8-177.1-177.5168.2-170.90111.4I156 A157 S158 M163 E164I156-K160 WeakPolarHBondContact O-CB 3.4Å; I156-K160 PolarHBondContact O-N 3.17Å; A157-K160 WeakPolarHBondContact O-CB 3.13Å; A157-K160 PolarHBondContact O-N 3.46Å; S158-K160 VanDerWaalsContact C-N 3.27Å; S158-K160 PolarHBondContact O-N 2.92Å; K160-M163 PolarHBondContact O-N 3.27Å; K160-E164 WeakPolarHBondContact CE-OE1 3.48Å; K160-E164 IonicContact NZ-OE1 3.74Å; K160-E164 WeakPolarHBondContact O-CG 3.41Å; K160-E164 PolarHBondContact O-N 3.05Å
161E96Very high92.1Very high125 Ų12594.4 Ų94.458%0.58448%0.482SS*.Hα-helixtrans-61.6-45175.6-177178.4177.300111.7A157 S158 M163 E164 T165A157-E161 PolarHBondContact O-N 3.42Å; S158-E161 PolarHBondContact O-N 3.26Å; E161-M163 VanDerWaalsContact C-N 3.31Å; E161-M163 PolarHBondContact O-N 3.12Å; E161-E164 PolarHBondContact O-N 3.07Å; E161-T165 VanDerWaalsContact O-CB 3.32Å; E161-T165 WeakPolarHBondContact O-CB 3.3Å; E161-T165 PolarHBondContact O-N 3.31Å; E161-T165 PolarHBondContact O-OG1 3.25Å
162D96Very high92.3Very high108 Ų10895 Ų9558%0.57849%0.485SS*.Hα-helixtrans-59.7-42.9176-71.6-23.1000111.2S158 S166S158-D162 WeakPolarHBondContact O-CB 3.27Å; S158-D162 VanDerWaalsContact O-CG 3.28Å; S158-D162 PolarHBondContact O-N 3.33Å; D162-S166 WeakPolarHBondContact O-CB 3.28Å; D162-S166 PolarHBondContact O-N 2.82Å
163M94.9Very high92.4Very high115 Ų115100.4 Ų100.457%0.56751%0.506SS*.Hα-helixtrans-64.5-47.2177.7-169.1-165.5-43.100111.9K159 K160 E161 S166 L167K159-M163 WeakPolarHBondContact O-CB 3.29Å; K159-M163 PolarHBondContact O-N 3.35Å; K160-M163 PolarHBondContact O-N 3.27Å; E161-M163 VanDerWaalsContact C-N 3.31Å; E161-M163 PolarHBondContact O-N 3.12Å; M163-S166 PolarHBondContact O-N 3.44Å; M163-L167 WeakPolarHBondContact O-CB 3.4Å; M163-L167 PolarHBondContact O-N 3.2Å
164E92.5Very high92.4Very high112 Ų11297.8 Ų97.852%0.52350%0.502SS..Hα-helixtrans-63.5-43178.2-74-179.8-179.400111.3K160 E161 L167 A168K160-E164 WeakPolarHBondContact CE-OE1 3.48Å; K160-E164 IonicContact NZ-OE1 3.74Å; K160-E164 WeakPolarHBondContact O-CG 3.41Å; K160-E164 PolarHBondContact O-N 3.05Å; E161-E164 PolarHBondContact O-N 3.07Å; E164-L167 PolarHBondContact O-N 3.49Å; E164-A168 VanDerWaalsContact O-CB 3.31Å; E164-A168 WeakPolarHBondContact O-CB 3.43Å; E164-A168 PolarHBondContact O-N 3.43Å
165T91.9Very high92.2Very high77 Ų7796.4 Ų96.447%0.47250%0.496SS..Hα-helixtrans-66.7-41.9178.9-550000111.6E161 A168 S169E161-T165 VanDerWaalsContact O-CB 3.32Å; E161-T165 WeakPolarHBondContact O-CB 3.3Å; E161-T165 PolarHBondContact O-N 3.31Å; E161-T165 PolarHBondContact O-OG1 3.25Å; T165-A168 PolarHBondContact O-N 3.32Å; T165-S169 VanDerWaalsContact O-CB 3.28Å; T165-S169 WeakPolarHBondContact O-CB 3.47Å; T165-S169 PolarHBondContact O-N 2.98Å; T165-S169 PolarHBondContact O-OG 3.05Å
166S94.1Very high92.1Very high80 Ų8093.4 Ų93.456%0.55950%0.495SS*.Hα-helixtrans-64.8-44.3176-173.80000111.5D162 M163 S169 F170D162-S166 WeakPolarHBondContact O-CB 3.28Å; D162-S166 PolarHBondContact O-N 2.82Å; M163-S166 PolarHBondContact O-N 3.44Å; S166-S169 PolarHBondContact O-N 3.15Å; S166-F170 WeakPolarHBondContact O-CB 3.28Å; S166-F170 PolarHBondContact O-N 3.25Å
167L92.8Very high92.1Very high98 Ų9890.2 Ų90.251%0.51348%0.481SS..Hα-helixtrans-63.9-44.3176.3-177.464000111.7M163 E164 S169 F170 M171M163-L167 WeakPolarHBondContact O-CB 3.4Å; M163-L167 PolarHBondContact O-N 3.2Å; E164-L167 PolarHBondContact O-N 3.49Å; L167-S169 VanDerWaalsContact C-N 3.33Å; L167-S169 PolarHBondContact O-N 3.48Å; L167-F170 WeakPolarHBondContact O-CB 3.28Å; L167-F170 PolarHBondContact O-N 3.19Å; L167-M171 HydrophobicContact CD1-CE 3.8Å; L167-M171 HydrophobicContact CD1-CG 4.32Å; L167-M171 HydrophobicContact CG-CG 4.45Å; L167-M171 VanDerWaalsContact O-CG 3.29Å; L167-M171 WeakPolarHBondContact O-CG 3.31Å; L167-M171 PolarHBondContact O-N 2.97Å
168A90.2Very high91.8Very high51 Ų5191 Ų9142%0.42148%0.479SS..Hα-helixtrans-60.9-42.9175.300000111.5E164 T165 F170 M171 T172E164-A168 VanDerWaalsContact O-CB 3.31Å; E164-A168 WeakPolarHBondContact O-CB 3.43Å; E164-A168 PolarHBondContact O-N 3.43Å; T165-A168 PolarHBondContact O-N 3.32Å; A168-F170 VanDerWaalsContact C-N 3.28Å; A168-F170 PolarHBondContact O-N 3.29Å; A168-M171 PolarHBondContact O-N 3.03Å; A168-T172 VanDerWaalsContact O-CG2 3.28Å; A168-T172 WeakPolarHBondContact O-CG2 3.49Å; A168-T172 PolarHBondContact O-N 3.4Å; A168-T172 PolarHBondContact O-OG1 2.88Å
169S90.2Very high91.5Very high58 Ų5890.9 Ų90.941%0.40649%0.486SS..Hα-helixtrans-64.7-31.3175.8-62.10000112.8T165 S166 L167 T172 K173T165-S169 VanDerWaalsContact O-CB 3.28Å; T165-S169 WeakPolarHBondContact O-CB 3.47Å; T165-S169 PolarHBondContact O-N 2.98Å; T165-S169 PolarHBondContact O-OG 3.05Å; S166-S169 PolarHBondContact O-N 3.15Å; L167-S169 VanDerWaalsContact C-N 3.33Å; L167-S169 PolarHBondContact O-N 3.48Å; S169-T172 WeakPolarHBondContact CA-OG1 3.32Å; S169-T172 PolarHBondContact O-OG1 3.4Å; S169-T172 VanDerWaalsContact O-OG1 3.07Å; S169-K173 WeakPolarHBondContact O-CG 3.4Å
170F93.1Very high91.1Very high111 Ų11188 Ų8849%0.48748%0.477SS..Hα-helixtrans-74.3-47.8174.9175.8-101.7000111.7S166 L167 A168 T172 K173 I174S166-F170 WeakPolarHBondContact O-CB 3.28Å; S166-F170 PolarHBondContact O-N 3.25Å; L167-F170 WeakPolarHBondContact O-CB 3.28Å; L167-F170 PolarHBondContact O-N 3.19Å; A168-F170 VanDerWaalsContact C-N 3.28Å; A168-F170 PolarHBondContact O-N 3.29Å; F170-T172 VanDerWaalsContact C-N 3.3Å; F170-T172 PolarHBondContact O-N 3.07Å; F170-K173 WeakPolarHBondContact O-CB 3.46Å; F170-K173 PolarHBondContact O-N 3.19Å; F170-I174 HydrophobicContact CD1-CD1 3.94Å; F170-I174 HydrophobicContact CD2-CD1 4.17Å; F170-I174 HydrophobicContact CE1-CD1 3.33Å; F170-I174 HydrophobicContact CE2-CD1 3.59Å; F170-I174 HydrophobicContact CG-CD1 4.34Å; F170-I174 HydrophobicContact CZ-CD1 3.14Å; F170-I174 HydrophobicContact CZ-CG1 4.49Å; F170-I174 PolarHBondContact O-N 3.47Å
171M91.7Very high90.6Very high58 Ų5890.2 Ų90.229%0.28648%0.482SS..Hα-helixtrans-61.4-39-179.8-70.4-66.9157.500111.9L167 A168 K173 I174 H175 L190L167-M171 HydrophobicContact CD1-CE 3.8Å; L167-M171 HydrophobicContact CD1-CG 4.32Å; L167-M171 HydrophobicContact CG-CG 4.45Å; L167-M171 VanDerWaalsContact O-CG 3.29Å; L167-M171 WeakPolarHBondContact O-CG 3.31Å; L167-M171 PolarHBondContact O-N 2.97Å; A168-M171 PolarHBondContact O-N 3.03Å; M171-K173 PolarHBondContact O-N 2.88Å; M171-I174 PolarHBondContact O-N 2.9Å; M171-I174 VanDerWaalsContact O-N 3.15Å; M171-H175 PolarHBondContact O-N 3.3Å; M171-L190 HydrophobicContact CB-CD1 3.83Å; M171-L190 HydrophobicContact CB-CD2 4.16Å; M171-L190 WeakPolarHBondContact O-CD2 3.44Å
172T89.6Confident90Very high32 Ų3291 Ų9120%0.19649%0.488CS..Hα-helixtrans-67.2-15.5176.951.80000113.9A168 S169 F170 T177 L190A168-T172 VanDerWaalsContact O-CG2 3.28Å; A168-T172 WeakPolarHBondContact O-CG2 3.49Å; A168-T172 PolarHBondContact O-N 3.4Å; A168-T172 PolarHBondContact O-OG1 2.88Å; S169-T172 WeakPolarHBondContact CA-OG1 3.32Å; S169-T172 PolarHBondContact O-OG1 3.4Å; S169-T172 VanDerWaalsContact O-OG1 3.07Å; F170-T172 VanDerWaalsContact C-N 3.3Å; F170-T172 PolarHBondContact O-N 3.07Å; T172-T177 HydrophobicContact CG2-CG2 4.14Å; T172-T177 VanDerWaalsContact O-CG2 3.28Å; T172-T177 WeakPolarHBondContact O-CG2 3.17Å; T172-L190 HydrophobicContact CG2-CD2 4.06Å; T172-L190 HydrophobicContact CG2-CG 4.06Å
173K88.8Confident89.4Confident177 Ų17788.9 Ų88.977%0.7749%0.491SS*.Hα-helixtrans-86-23.5172.9-70.4173.1-178.1178.70113.4S169 F170 M171S169-K173 WeakPolarHBondContact O-CG 3.4Å; F170-K173 WeakPolarHBondContact O-CB 3.46Å; F170-K173 PolarHBondContact O-N 3.19Å; M171-K173 PolarHBondContact O-N 2.88Å
174I91.1Very high88.8Confident100 Ų10091.7 Ų91.751%0.51351%0.508SS..Hα-helixtrans-103.1-39.8-172.2-63175.5000111.8F170 M171F170-I174 HydrophobicContact CD1-CD1 3.94Å; F170-I174 HydrophobicContact CD2-CD1 4.17Å; F170-I174 HydrophobicContact CE1-CD1 3.33Å; F170-I174 HydrophobicContact CE2-CD1 3.59Å; F170-I174 HydrophobicContact CG-CD1 4.34Å; F170-I174 HydrophobicContact CZ-CD1 3.14Å; F170-I174 HydrophobicContact CZ-CG1 4.49Å; F170-I174 PolarHBondContact O-N 3.47Å; M171-I174 PolarHBondContact O-N 2.9Å; M171-I174 VanDerWaalsContact O-N 3.15Å
175H89.1Confident88.2Confident94 Ų9493.6 Ų93.644%0.43552%0.517SS..SBendtrans-95.4158.2-174.5-69.8-68.4000112M171 T177 L190M171-H175 PolarHBondContact O-N 3.3Å; H175-T177 PolarHBondContact O-N 2.79Å; H175-L190 HydrophobicContact CB-CD2 3.78Å
176P88.4Confident87.7Confident81 Ų8195.5 Ų95.553%0.52652%0.521SS..  trans-60.1128.7174.224.8-34000110.9L191P176-L191 HydrophobicContact CB-CD1 4.35Å; P176-L191 PolarHBondContact O-N 2.87Å
177T89.2Confident87.3Confident43 Ų4395.5 Ų95.526%0.26452%0.517SS..EExtended strand (participates in β ladder)trans-118.8146.9-178.556.10000112.3T172 H175 R188 V189 L190T172-T177 HydrophobicContact CG2-CG2 4.14Å; T172-T177 VanDerWaalsContact O-CG2 3.28Å; T172-T177 WeakPolarHBondContact O-CG2 3.17Å; H175-T177 PolarHBondContact O-N 2.79Å; T177-R188 HydrophobicContact CG2-CB 4.29Å; T177-V189 CarbonylContact C-O 3.48Å; T177-V189 WeakPolarHBondContact CA-O 3.48Å; T177-V189 WeakPolarHBondContact CB-O 2.93Å; T177-L190 HydrophobicContact CG2-CD2 4.22Å
178V87.2Confident86.8Confident73 Ų7398.7 Ų98.744%0.44252%0.522SS..EExtended strand (participates in β ladder)trans-98.9130.1163.8-174.20000108.5V189 L191V178-V189 PolarHBondContact N-O 3.48Å; V178-V189 PolarHBondContact O-N 3.42Å; V178-L191 HydrophobicContact CB-CD1 4.48Å; V178-L191 HydrophobicContact CG2-CD1 3.27Å; V178-L191 HydrophobicContact CG2-CD2 4.36Å; V178-L191 HydrophobicContact CG2-CG 3.6Å
179G86.2Confident86.6Confident50 Ų5099.6 Ų99.652%0.51552%0.522SS..EExtended strand (participates in β ladder)trans-78.5120.2168.300000110.1
180I85.7Confident86.4Confident85 Ų85100.3 Ų100.344%0.43652%0.521SS..EExtended strand (participates in β ladder)trans-100.6121166.2-53.6-179.5000106.1T187 V189I180-T187 PolarHBondContact N-O 2.89Å; I180-T187 PolarHBondContact O-N 2.78Å; I180-T187 PolarHBondContact O-OG1 2.87Å; I180-V189 HydrophobicContact CD1-CB 4.34Å; I180-V189 HydrophobicContact CD1-CG2 3.72Å; I180-V189 HydrophobicContact CG1-CG2 4.1Å
181R84.7Confident85.7Confident167 Ų16799.3 Ų99.363%0.6352%0.521SS*.EExtended strand (participates in β ladder)trans-95.2120.1178-168.2-179.7-71.5128.5-11.1109G183 E186R181-G183 WeakPolarHBondContact CG-O 3.5Å; R181-E186 HydrophobicContact CB-CG 4.36Å; R181-E186 HydrophobicContact CG-CG 4.07Å; R181-E186 IonicContact CZ-OE1 3.23Å; R181-E186 VanDerWaalsContact CZ-OE1 3.23Å; R181-E186 IonicContact NE-OE1 3.12Å; R181-E186 PolarHBondContact NE-OE1 3.33Å; R181-E186 VanDerWaalsContact NE-OE1 3.12Å; R181-E186 IonicContact NH2-OE1 2.62Å; R181-E186 PolarHBondContact NH2-OE1 2.87Å
182M82.3Confident84.9Confident142 Ų142101.3 Ų101.370%0.755%0.546SS*.EExtended strand (participates in β ladder)trans-115.698.9171.4-73.1-66.7-14300107.9N184 E185M182-N184 PolarHBondContact O-N 3.32Å; M182-E185 PolarHBondContact N-O 3.41Å; M182-E185 PolarHBondContact O-N 2.94Å
183G82.9Confident84Confident62 Ų62105.1 Ų105.164%0.63957%0.569SS**THydrogen-bonded Turntrans66.7-126.2-173.700000112.3R181R181-G183 WeakPolarHBondContact CG-O 3.5Å
184N82.2Confident83.2Confident174 Ų174101.3 Ų101.393%0.9357%0.571SS**THydrogen-bonded Turntrans-88.7-5178.7-70.1-6.4000113.2M182M182-N184 PolarHBondContact O-N 3.32Å
185E81.1Confident82.5Confident153 Ų153101.2 Ų101.272%0.71557%0.571SS**EExtended strand (participates in β ladder)trans-100.2125.9-178.6-64.3-178.6-178.100110.4M182M182-E185 PolarHBondContact N-O 3.41Å; M182-E185 PolarHBondContact O-N 2.94Å
186E81.2Confident82.2Confident117 Ų117106 Ų10655%0.54759%0.594SS.*EExtended strand (participates in β ladder)trans-96.6110.2171.6-74.4-177-168.700109.8R181R181-E186 HydrophobicContact CB-CG 4.36Å; R181-E186 HydrophobicContact CG-CG 4.07Å; R181-E186 IonicContact CZ-OE1 3.23Å; R181-E186 VanDerWaalsContact CZ-OE1 3.23Å; R181-E186 IonicContact NE-OE1 3.12Å; R181-E186 PolarHBondContact NE-OE1 3.33Å; R181-E186 VanDerWaalsContact NE-OE1 3.12Å; R181-E186 IonicContact NH2-OE1 2.62Å; R181-E186 PolarHBondContact NH2-OE1 2.87Å
187T84.9Confident82.1Confident80 Ų80106.4 Ų106.449%0.49159%0.591SS.*EExtended strand (participates in β ladder)trans-97.4124.91735.20000109.3I180I180-T187 PolarHBondContact N-O 2.89Å; I180-T187 PolarHBondContact O-N 2.78Å; I180-T187 PolarHBondContact O-OG1 2.87Å
188R82.7Confident81.8Confident165 Ų165108.4 Ų108.462%0.62361%0.605SS**EExtended strand (participates in β ladder)trans-88.8126.8175.9-68.1-174.5-178.6171.61109.9T177T177-R188 HydrophobicContact CG2-CB 4.29Å
189V85.9Confident81.8Confident69 Ų69111.7 Ų111.742%0.41861%0.611SS.*EExtended strand (participates in β ladder)trans-115.8142.2178.7-173.50000109.1T177 V178 I180T177-V189 CarbonylContact C-O 3.48Å; T177-V189 WeakPolarHBondContact CA-O 3.48Å; T177-V189 WeakPolarHBondContact CB-O 2.93Å; V178-V189 PolarHBondContact N-O 3.48Å; V178-V189 PolarHBondContact O-N 3.42Å; I180-V189 HydrophobicContact CD1-CB 4.34Å; I180-V189 HydrophobicContact CD1-CG2 3.72Å; I180-V189 HydrophobicContact CG1-CG2 4.1Å
190L85.7Confident81.8Confident74 Ų74112.5 Ų112.539%0.38761%0.605SS.*EExtended strand (participates in β ladder)trans-65.9134.5178.1-66.6170.9000111.1M171 T172 H175 T177M171-L190 HydrophobicContact CB-CD1 3.83Å; M171-L190 HydrophobicContact CB-CD2 4.16Å; M171-L190 WeakPolarHBondContact O-CD2 3.44Å; T172-L190 HydrophobicContact CG2-CD2 4.06Å; T172-L190 HydrophobicContact CG2-CG 4.06Å; H175-L190 HydrophobicContact CB-CD2 3.78Å; T177-L190 HydrophobicContact CG2-CD2 4.22Å
191L78.6Confident81.6Confident90 Ų90110.7 Ų110.747%0.47160%0.6SS.*PPolyproline II helixtrans-71.6127.9163.8-95.1118000109.3P176 V178 V193P176-L191 HydrophobicContact CB-CD1 4.35Å; P176-L191 PolarHBondContact O-N 2.87Å; V178-L191 HydrophobicContact CB-CD1 4.48Å; V178-L191 HydrophobicContact CG2-CD1 3.27Å; V178-L191 HydrophobicContact CG2-CD2 4.36Å; V178-L191 HydrophobicContact CG2-CG 3.6Å; L191-V193 PolarHBondContact O-N 2.93Å
192A74.5Confident81.5Confident100 Ų100106.8 Ų106.883%0.82660%0.603SS**PPolyproline II helixtrans-65.2121.6168.800000109.4
193V72.2Confident81.7Confident111 Ų111106.5 Ų106.567%0.67360%0.604SS**PPolyproline II helixtrans-77.2126.5170.4179.80000107.6L191 D195L191-V193 PolarHBondContact O-N 2.93Å; V193-D195 PolarHBondContact O-N 3.19Å
194A71.7Confident81.6Confident98 Ų98107.3 Ų107.381%0.8159%0.593SS**  trans-72.1108176.500000109.9
195D76.9Confident81.5Confident97 Ų97102.3 Ų102.352%0.51957%0.57SS.*  trans-70.8144168.6-77.2-17.8000110.1V193 L197V193-D195 PolarHBondContact O-N 3.19Å; D195-L197 PolarHBondContact O-N 3.18Å; D195-L197 VanDerWaalsContact O-N 3.17Å
196Q82.3Confident81Confident195 Ų195106 Ų10691%0.91158%0.578SS**SBendtrans-61.2-24.7177.2-68.6-177.4-1100112.9
197L85.5Confident80.1Confident90 Ų90103.9 Ų103.947%0.47158%0.576SS.*  trans-134.175.9-176.9-59.9174.1000110.7D195 Y199 V200D195-L197 PolarHBondContact O-N 3.18Å; D195-L197 VanDerWaalsContact O-N 3.17Å; L197-Y199 HydrophobicContact CB-CE1 4.2Å; L197-Y199 HydrophobicContact CD2-CE1 3.82Å; L197-Y199 PolarHBondContact O-N 3.03Å; L197-V200 HydrophobicContact CB-CB 4.4Å; L197-V200 HydrophobicContact CB-CG2 3.86Å; L197-V200 HydrophobicContact CD1-CG2 4.36Å; L197-V200 PolarHBondContact O-N 3.29Å; L197-V200 VanDerWaalsContact O-N 3.12Å
198P83.6Confident78.8Confident85 Ų85104.9 Ų104.955%0.55258%0.578SS**Hα-helixtrans-64.5-27.2-171.825.5-35000113.5V200 S201 A202P198-V200 VanDerWaalsContact C-N 3.3Å; P198-V200 PolarHBondContact O-N 3.49Å; P198-S201 PolarHBondContact O-OG 2.88Å; P198-A202 WeakPolarHBondContact O-CB 3.49Å; P198-A202 PolarHBondContact O-N 3.16Å
199Y87.2Confident77.5Confident142 Ų142103.3 Ų103.356%0.55758%0.575SS**Hα-helixtrans-69-28.9178.560.6-92.2000112.3L197 L203L197-Y199 HydrophobicContact CB-CE1 4.2Å; L197-Y199 HydrophobicContact CD2-CE1 3.82Å; L197-Y199 PolarHBondContact O-N 3.03Å; Y199-L203 VanDerWaalsContact O-CB 3.29Å; Y199-L203 WeakPolarHBondContact O-CB 3.35Å; Y199-L203 WeakPolarHBondContact O-CD1 3.4Å; Y199-L203 WeakPolarHBondContact O-CG 3.33Å; Y199-L203 PolarHBondContact O-N 3.37Å; Y199-L203 VanDerWaalsContact O-N 3.07Å
200V85.3Confident75.9Confident67 Ų67102.7 Ų102.741%0.40658%0.577SS.*Hα-helixtrans-68.3-49.1179.7179.50000109.9L197 P198 A202 L203 L204L197-V200 HydrophobicContact CB-CB 4.4Å; L197-V200 HydrophobicContact CB-CG2 3.86Å; L197-V200 HydrophobicContact CD1-CG2 4.36Å; L197-V200 PolarHBondContact O-N 3.29Å; L197-V200 VanDerWaalsContact O-N 3.12Å; P198-V200 VanDerWaalsContact C-N 3.3Å; P198-V200 PolarHBondContact O-N 3.49Å; V200-A202 VanDerWaalsContact C-N 3.33Å; V200-A202 PolarHBondContact O-N 2.91Å; V200-L203 PolarHBondContact O-N 3.49Å; V200-L204 WeakPolarHBondContact O-CG 3.39Å; V200-L204 PolarHBondContact O-N 3Å
201S81.5Confident74.1Confident47 Ų47103.4 Ų103.433%0.32959%0.585SS.*Hα-helixtrans-68.2-31.4-178.659.40000113.1P198P198-S201 PolarHBondContact O-OG 2.88Å
202A83.7Confident72.7Confident84 Ų84106.9 Ų106.969%0.69460%0.599SS**Hα-helixtrans-73.8-31.2175.600000113.8P198 V200P198-A202 WeakPolarHBondContact O-CB 3.49Å; P198-A202 PolarHBondContact O-N 3.16Å; V200-A202 VanDerWaalsContact C-N 3.33Å; V200-A202 PolarHBondContact O-N 2.91Å
203L86.2Confident71.7Confident137 Ų137110 Ų11072%0.71759%0.59SS**Hα-helixtrans-85.1-11.3179.6-70.2172000113.5Y199 V200 P205Y199-L203 VanDerWaalsContact O-CB 3.29Å; Y199-L203 WeakPolarHBondContact O-CB 3.35Å; Y199-L203 WeakPolarHBondContact O-CD1 3.4Å; Y199-L203 WeakPolarHBondContact O-CG 3.33Å; Y199-L203 PolarHBondContact O-N 3.37Å; Y199-L203 VanDerWaalsContact O-N 3.07Å; V200-L203 PolarHBondContact O-N 3.49Å; L203-P205 VanDerWaalsContact O-CD 3.27Å; L203-P205 WeakPolarHBondContact O-CD 3.49Å
204L81.4Confident70.7Confident79 Ų79106.8 Ų106.841%0.41457%0.573SS.*SBendtrans-66122.2177.2-78170.2000110.9V200 R206 L208V200-L204 WeakPolarHBondContact O-CG 3.39Å; V200-L204 PolarHBondContact O-N 3Å; L204-R206 PolarHBondContact O-N 3.36Å; L204-L208 HydrophobicContact CD2-CD1 4.08Å
205P79.6Confident69.4Low68 Ų68110.2 Ų110.244%0.44257%0.572SS.*  trans-52.6131.6169-25.331.6000110.8L203 S207 L208L203-P205 VanDerWaalsContact O-CD 3.27Å; L203-P205 WeakPolarHBondContact O-CD 3.49Å; P205-S207 VanDerWaalsContact CB-OG 3.31Å; P205-S207 WeakPolarHBondContact CB-OG 3.19Å; P205-S207 PolarHBondContact O-N 3.02Å; P205-L208 HydrophobicContact CB-CG 4.44Å; P205-L208 HydrophobicContact CG-CD1 4.14Å; P205-L208 HydrophobicContact CG-CG 4.5Å; P205-L208 PolarHBondContact O-N 2.92Å
206R70.3Confident68.1Low231 Ų231110.1 Ų110.187%0.87258%0.575SS**Hα-helixtrans-54.3-28.2173.3-64.1-178.3-177.3174.1-0.3111.8L204 L208 K209 A210L204-R206 PolarHBondContact O-N 3.36Å; R206-L208 PolarHBondContact O-N 3.47Å; R206-K209 PolarHBondContact O-N 2.89Å; R206-A210 PolarHBondContact O-N 3.41Å
207S61.9Low66.5Low73 Ų73106.8 Ų106.851%0.5156%0.559SS.*Hα-helixtrans-62.5-34.6175.955.70000113.7P205 K209 A210 T211P205-S207 VanDerWaalsContact CB-OG 3.31Å; P205-S207 WeakPolarHBondContact CB-OG 3.19Å; P205-S207 PolarHBondContact O-N 3.02Å; S207-K209 VanDerWaalsContact C-N 3.31Å; S207-K209 PolarHBondContact O-N 3.02Å; S207-A210 PolarHBondContact O-N 2.96Å; S207-T211 PolarHBondContact O-N 3.43Å; S207-T211 PolarHBondContact O-OG1 3.5Å
208L57.4Low64.7Low101 Ų101110.3 Ų110.353%0.52957%0.571SS.*Hα-helixtrans-66.9-33.4178.6-75.3172.3000111.9L204 P205 R206L204-L208 HydrophobicContact CD2-CD1 4.08Å; P205-L208 HydrophobicContact CB-CG 4.44Å; P205-L208 HydrophobicContact CG-CD1 4.14Å; P205-L208 HydrophobicContact CG-CG 4.5Å; P205-L208 PolarHBondContact O-N 2.92Å; R206-L208 PolarHBondContact O-N 3.47Å
209K55.7Low62.7Low132 Ų132109.7 Ų109.757%0.57457%0.569SS**Hα-helixtrans-73-37.6173.8-66-173.4179.2-177.80112R206 S207 Y213R206-K209 PolarHBondContact O-N 2.89Å; S207-K209 VanDerWaalsContact C-N 3.31Å; S207-K209 PolarHBondContact O-N 3.02Å; K209-Y213 WeakPolarHBondContact O-CD2 3.34Å
210A52.5Low60.8Low56 Ų56108.7 Ų108.746%0.46357%0.573SS.*Hα-helixtrans-71.1-30.8-179.200000113.3R206 S207 Q212 Y213 S214R206-A210 PolarHBondContact O-N 3.41Å; S207-A210 PolarHBondContact O-N 2.96Å; A210-Q212 VanDerWaalsContact C-N 3.26Å; A210-Q212 PolarHBondContact O-N 3.19Å; A210-Y213 PolarHBondContact O-N 2.87Å; A210-S214 VanDerWaalsContact O-CB 3.31Å; A210-S214 WeakPolarHBondContact O-CB 3.42Å; A210-S214 PolarHBondContact O-N 3.27Å; A210-S214 PolarHBondContact O-OG 3.11Å
211T49.1Very low58.9Low88 Ų88113.5 Ų113.554%0.5459%0.591SS.*Hα-helixtrans-65.3-29.2-173.9-46.20000112.2S207 S214S207-T211 PolarHBondContact O-N 3.43Å; S207-T211 PolarHBondContact O-OG1 3.5Å; T211-S214 PolarHBondContact O-OG 2.88Å
212Q48.9Very low57.1Low163 Ų163115.1 Ų115.176%0.76261%0.607SS**THydrogen-bonded Turntrans-78.3-21.4179.4-68.6-173.6-17.500114.5A210A210-Q212 VanDerWaalsContact C-N 3.26Å; A210-Q212 PolarHBondContact O-N 3.19Å
213Y52.3Low55.3Low166 Ų166116.4 Ų116.465%0.65161%0.607SS**THydrogen-bonded Turntrans-104.8-17.8-179-64.8-78.2000113.3K209 A210 E215 T216K209-Y213 WeakPolarHBondContact O-CD2 3.34Å; A210-Y213 PolarHBondContact O-N 2.87Å; Y213-E215 PolarHBondContact O-N 2.76Å; Y213-T216 PolarHBondContact O-N 3.07Å; Y213-T216 PolarHBondContact O-OG1 2.83Å
214S51Low53.3Low44 Ų44117.4 Ų117.431%0.30861%0.613SS.*Hα-helixtrans-70.5-10.5-173.468.80000115.8A210 T211A210-S214 VanDerWaalsContact O-CB 3.31Å; A210-S214 WeakPolarHBondContact O-CB 3.42Å; A210-S214 PolarHBondContact O-N 3.27Å; A210-S214 PolarHBondContact O-OG 3.11Å; T211-S214 PolarHBondContact O-OG 2.88Å
215E46.2Very low51.7Low169 Ų169117 Ų11779%0.7961%0.611SS**Hα-helixtrans-79.7-24.6177.2-69.3-17516700112.6Y213Y213-E215 PolarHBondContact O-N 2.76Å
216T49Very low50.3Low96 Ų96118.8 Ų118.859%0.58962%0.623SS**Hα-helixtrans-89.3-19.3-177.922.30000115.1Y213 S219Y213-T216 PolarHBondContact O-N 3.07Å; Y213-T216 PolarHBondContact O-OG1 2.83Å; T216-S219 PolarHBondContact O-OG 2.71Å
217E49Very low49.2Very low124 Ų124116.3 Ų116.358%0.57962%0.619SS**Hα-helixtrans-88.7-25.7-179.5-68.2-173.9156.300113S219 N220E217-S219 PolarHBondContact O-N 3.04Å; E217-N220 PolarHBondContact O-N 3.12Å
218K46.9Very low48.6Very low165 Ų165119.3 Ų119.372%0.71763%0.628SS**THydrogen-bonded Turntrans-67.1-17.7-179.8-73.4179.4-179.6172.70114
219S41.3Very low48Very low72 Ų72123.1 Ų123.150%0.50364%0.64SS.*THydrogen-bonded Turntrans-84.5-19.4178.459.20000113.9T216 E217T216-S219 PolarHBondContact O-OG 2.71Å; E217-S219 PolarHBondContact O-N 3.04Å
220N46.6Very low47.5Very low121 Ų121121.6 Ų121.665%0.64765%0.646SS**THydrogen-bonded Turntrans-110.1-11-168.2-62-7.6000113.7E217 T223E217-N220 PolarHBondContact O-N 3.12Å; N220-T223 PolarHBondContact O-OG1 2.86Å
221E46.2Very low47.2Very low167 Ų167124.4 Ų124.478%0.7866%0.657SS**SBendtrans-90-9.3173.8-100178.416000113.9
222A43.6Very low46.9Very low81 Ų81126.2 Ų126.267%0.66967%0.667SS**SBendtrans-88.31.2-178.300000114.1
223T45.4Very low46.3Very low112 Ų112125.6 Ų125.669%0.68767%0.667SS**SBendtrans-103.37.2-165.329.70000116.7N220N220-T223 PolarHBondContact O-OG1 2.86Å
224D44.2Very low45.7Very low157 Ų157122.7 Ų122.784%0.8467%0.668SS**SBendtrans-139.79.2179.4-130.44.8000115.8
225N47.6Very low45Very low70 Ų70127.1 Ų127.137%0.37470%0.696SS.*  trans-153.7108.5171.1-117.4-28.6000112.4F227 I228N225-F227 PolarHBondContact O-N 2.85Å; N225-I228 HydrophobicContact CB-CD1 4.23Å; N225-I228 HydrophobicContact CB-CG1 4.33Å; N225-I228 PolarHBondContact O-N 2.98Å
226P50.3Low44.6Very low107 Ų107122.7 Ų122.770%0.69570%0.695SS**THydrogen-bonded Turntrans-69.6-2.1-17727.2-33.4000114.5
227F48.4Very low44.2Very low178 Ų178123.9 Ų123.978%0.78171%0.707SS**THydrogen-bonded Turntrans-103.5-8.5-175.7-60-71.8000114.7N225 K229N225-F227 PolarHBondContact O-N 2.85Å; F227-K229 PolarHBondContact O-N 2.62Å
228I48.5Very low43.7Very low137 Ų137121.6 Ų121.670%0.70372%0.717SS**  trans-96.169.6176.3-52.2177000108.3N225N225-I228 HydrophobicContact CB-CD1 4.23Å; N225-I228 HydrophobicContact CB-CG1 4.33Å; N225-I228 PolarHBondContact O-N 2.98Å
229K44.6Very low43.2Very low181 Ų181124.9 Ų124.979%0.78773%0.725SS**  trans-78.3117.8158-75.3-176.61801790106.6F227 V231F227-K229 PolarHBondContact O-N 2.62Å; K229-V231 PolarHBondContact O-N 3.12Å
230S46.6Very low43.1Very low100 Ų100133.1 Ų133.170%0.69975%0.745SS**  trans-55.7110.2171.444.90000108.9V232S230-V232 VanDerWaalsContact C-N 3.27Å; S230-V232 PolarHBondContact O-N 3.42Å
231V46.2Very low42.6Very low115 Ų115133.1 Ų133.170%0.69775%0.753SS**  trans-71.492.2169.6178.40000106.3K229 M233K229-V231 PolarHBondContact O-N 3.12Å; V231-M233 HydrophobicContact CG1-CE 3.65Å; V231-M233 HydrophobicContact CG1-CG 4.28Å; V231-M233 PolarHBondContact O-N 3.03Å; V231-M233 VanDerWaalsContact O-N 3.12Å
232V41.5Very low42.5Very low125 Ų125130.3 Ų130.376%0.75875%0.752SS**  trans-70.6100.1167.8178.70000106.9S230S230-V232 VanDerWaalsContact C-N 3.27Å; S230-V232 PolarHBondContact O-N 3.42Å
233M36.8Very low42.2Very low151 Ų151134.6 Ų134.674%0.74476%0.764SS**  trans-72.3129.1170-78.7-87.1134.400109.1V231V231-M233 HydrophobicContact CG1-CE 3.65Å; V231-M233 HydrophobicContact CG1-CG 4.28Å; V231-M233 PolarHBondContact O-N 3.03Å; V231-M233 VanDerWaalsContact O-N 3.12Å
234P40Very low42.2Very low104 Ų104134.7 Ų134.768%0.67577%0.769SS**  trans-67.9147.3178.227.5-32.4000110.9G236P234-G236 PolarHBondContact O-N 3.3Å
235P35.9Very low42.1Very low138 Ų138130.8 Ų130.890%0.89677%0.766SS**SBendtrans-77115.7178.731.9-29.6000108.6
236G38.7Very low42Very low75 Ų75135 Ų13577%0.77379%0.789SS**  trans131.393.216400000115.2P234P234-G236 PolarHBondContact O-N 3.3Å
237S39.5Very low41.6Very low121 Ų121134.4 Ų134.485%0.84679%0.787SS**  -159.1117.3123.849.10000107.9
238G38.9Very low41.4Very low77 Ų77137.4 Ų137.479%0.79481%0.811SS**  trans-62.4143.4-177.800000111.6R240G238-R240 PolarHBondContact O-N 3.43Å
239R36.3Very low41.1Very low234 Ų234137.4 Ų137.488%0.88382%0.817SS**  trans-42.3130.6164.7-68175.7-177.5-179.2-0.7111.3
240R38.5Very low40.9Very low244 Ų244135.1 Ų135.192%0.92182%0.818SS**  trans-119.8101.6137-87.2-171.2-173.1-173.83.1108.1G238G238-R240 PolarHBondContact O-N 3.43Å
241C36.7Very low40.5Very low121 Ų121137.1 Ų137.182%0.81883%0.825SS**  trans-70.8119.4154.2-66.60000107
242S45.3Very low40.2Very low108 Ų108138.4 Ų138.476%0.75583%0.832SS**  trans-116.9109156.653.30000107.4
243N35.9Very low40.1Very low172 Ų172139.2 Ų139.292%0.9284%0.837SS**  trans-89.5113.3174.5-153.825.1000107.2
244S46.7Very low40.4Very low113 Ų113138.4 Ų138.479%0.7984%0.843SS**  trans-175.1132.1167.157.60000106
245G41.7Very low40.4Very low76 Ų76140.9 Ų140.978%0.78486%0.855SS**  cis-177.81657.100000106.8
246N44.3Very low40.7Very low158 Ų158141.1 Ų141.185%0.84585%0.852SS**  trans-44162.1-175-140.15.2000119
247S42.5Very low40.9Very low95 Ų95146.6 Ų146.666%0.66486%0.859SS**  trans71.6106.7148.861.40000121.1
248N44.3Very low41Very low240 Ų240148.9 Ų148.9100%1.28386%0.86SS**  -147.50100-94.5-15.7000109.9

Retrieved 248 of 248 residues in 160.2 ms (Link to these results)