A0A061AD09_CAEEL Loading...

3-hydroxyacyl-CoA dehydrogenase

AlphaFold DB , UniProt , Accession A0A061AD09, Species CAEEL (Caenorhabditis elegans), Gene ard-1, Length 84 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
1M83Confident96.9Very high191 Ų19185.5 Ų85.594%0.94148%0.479SS*.  061.30-63.9-175.9-64.700109.2L5M1-L5 WeakPolarHBondContact O-CD1 3.37Å
2T97.5Very high97Very high17 Ų1787.8 Ų87.810%0.10449%0.49CS..Hα-helixtrans-91.8-53.4-170.5-43.20000111A6 F16 T18T2-A6 WeakPolarHBondContact O-CB 3.4Å; T2-A6 PolarHBondContact O-N 3.25Å; T2-F16 WeakPolarHBondContact CG2-O 3.37Å; T2-T18 WeakPolarHBondContact CG2-OG1 3.31Å; T2-T18 PolarHBondContact OG1-OG1 3.44Å
3L98.4Very high97.1Very high81 Ų8186.2 Ų86.242%0.42451%0.505SS..Hα-helixtrans-63.7-41.7-178.4-178.963.3000114.8A6 R7L3-A6 PolarHBondContact O-N 3.29Å; L3-R7 HydrophobicContact CD1-CG 4.36Å; L3-R7 WeakPolarHBondContact O-CG 3.31Å; L3-R7 PolarHBondContact O-N 3.35Å; L3-R7 VanDerWaalsContact O-N 3.1Å
4P98.4Very high97.2Very high74 Ų7485.7 Ų85.748%0.48150%0.498SS..Hα-helixtrans-60.1-48.3177.8-25.236000112.3A6 R7 D8P4-A6 PolarHBondContact O-N 3.32Å; P4-R7 WeakPolarHBondContact O-CB 3.48Å; P4-R7 PolarHBondContact O-N 3.12Å; P4-D8 VanDerWaalsContact O-CG 3.28Å; P4-D8 PolarHBondContact O-N 3.07Å
5L98.6Very high97.3Very high62 Ų6284.9 Ų84.933%0.32548%0.484SS..Hα-helixtrans-61.9-41.9176.9-64.6175.9000112M1 R7 D8 F9 F16M1-L5 WeakPolarHBondContact O-CD1 3.37Å; L5-R7 PolarHBondContact O-N 3.36Å; L5-D8 PolarHBondContact O-N 3.21Å; L5-F9 HydrophobicContact CD2-CE2 4.19Å; L5-F9 WeakPolarHBondContact O-CD2 3.47Å; L5-F9 PolarHBondContact O-N 3.45Å; L5-F9 VanDerWaalsContact O-N 3.12Å; L5-F16 HydrophobicContact CB-CB 4.31Å; L5-F16 HydrophobicContact CB-CD1 3.56Å; L5-F16 HydrophobicContact CB-CD2 4.07Å; L5-F16 HydrophobicContact CB-CE1 3.8Å; L5-F16 HydrophobicContact CB-CE2 4.3Å; L5-F16 HydrophobicContact CB-CG 3.7Å; L5-F16 HydrophobicContact CB-CZ 4.17Å; L5-F16 HydrophobicContact CD1-CD1 3.83Å; L5-F16 HydrophobicContact CD1-CE1 3.89Å; L5-F16 HydrophobicContact CG-CD1 4.32Å; L5-F16 HydrophobicContact CG-CE1 4.35Å
6A98.6Very high97.4Very high5 Ų583 Ų834%0.04147%0.468CS..Hα-helixtrans-57.6-32.4175.100000113.1T2 L3 P4 F16 N70T2-A6 WeakPolarHBondContact O-CB 3.4Å; T2-A6 PolarHBondContact O-N 3.25Å; L3-A6 PolarHBondContact O-N 3.29Å; P4-A6 PolarHBondContact O-N 3.32Å; A6-F16 HydrophobicContact CB-CB 4.12Å; A6-N70 WeakPolarHBondContact CB-OD1 3.28Å
7R98.4Very high97.4Very high175 Ų17580.3 Ų80.366%0.6645%0.452SS*.Hα-helixtrans-80.3-42.8176.8-72.4176.5173.7173.1-2112L3 P4 L5 F9 A10L3-R7 HydrophobicContact CD1-CG 4.36Å; L3-R7 WeakPolarHBondContact O-CG 3.31Å; L3-R7 PolarHBondContact O-N 3.35Å; L3-R7 VanDerWaalsContact O-N 3.1Å; P4-R7 WeakPolarHBondContact O-CB 3.48Å; P4-R7 PolarHBondContact O-N 3.12Å; L5-R7 PolarHBondContact O-N 3.36Å; R7-F9 VanDerWaalsContact C-N 3.28Å; R7-F9 PolarHBondContact O-N 2.92Å; R7-A10 WeakPolarHBondContact O-CB 3.46Å; R7-A10 PolarHBondContact O-N 2.76Å
8D98.5Very high97.5Very high119 Ų11978.8 Ų78.864%0.63645%0.446SS*.Hα-helixtrans-61.7-36.8-177.7-67.7-17.4000111.9P4 L5P4-D8 VanDerWaalsContact O-CG 3.28Å; P4-D8 PolarHBondContact O-N 3.07Å; L5-D8 PolarHBondContact O-N 3.21Å
9F98.4Very high97.6Very high74 Ų7475.9 Ų75.933%0.32543%0.428SS..THydrogen-bonded Turntrans-10311.9-178.3-67.3-85.3000114.3L5 R7 G11 D12 G13 I14 F16L5-F9 HydrophobicContact CD2-CE2 4.19Å; L5-F9 WeakPolarHBondContact O-CD2 3.47Å; L5-F9 PolarHBondContact O-N 3.45Å; L5-F9 VanDerWaalsContact O-N 3.12Å; R7-F9 VanDerWaalsContact C-N 3.28Å; R7-F9 PolarHBondContact O-N 2.92Å; F9-G11 PolarHBondContact O-N 2.86Å; F9-D12 WeakPolarHBondContact CD1-OD2 3.49Å; F9-D12 PolarHBondContact O-N 3.05Å; F9-G13 PolarHBondContact O-N 3.41Å; F9-I14 HydrophobicContact CB-CB 4.07Å; F9-I14 HydrophobicContact CD1-CD1 4.18Å; F9-I14 PolarHBondContact O-N 3.31Å; F9-F16 HydrophobicContact CB-CD2 4.48Å; F9-F16 HydrophobicContact CB-CE2 3.64Å; F9-F16 HydrophobicContact CB-CZ 4.43Å; F9-F16 HydrophobicContact CD2-CD2 4.49Å; F9-F16 AromaticContact CD2-CE2 3.45Å; F9-F16 HydrophobicContact CD2-CE2 3.45Å; F9-F16 VanDerWaalsContact CD2-CE2 3.45Å; F9-F16 AromaticContact CD2-CZ 3.49Å; F9-F16 HydrophobicContact CD2-CZ 3.49Å; F9-F16 VanDerWaalsContact CD2-CZ 3.49Å; F9-F16 HydrophobicContact CE2-CE2 4.31Å; F9-F16 AromaticContact CE2-CZ 3.89Å; F9-F16 HydrophobicContact CE2-CZ 3.89Å; F9-F16 AromaticContact CG-CE2 3.7Å; F9-F16 HydrophobicContact CG-CE2 3.7Å; F9-F16 HydrophobicContact CG-CZ 4Å
10A97.9Very high97.6Very high63 Ų6374 Ų7452%0.52142%0.423SS..G310 helixtrans-60.6-35.3-179.200000112.3R7 D12 G13R7-A10 WeakPolarHBondContact O-CB 3.46Å; R7-A10 PolarHBondContact O-N 2.76Å; A10-D12 VanDerWaalsContact C-N 3.29Å; A10-D12 PolarHBondContact O-N 3.36Å; A10-G13 PolarHBondContact O-N 3.06Å
11G98.3Very high97.5Very high79 Ų7973.6 Ų73.681%0.81442%0.423SS*.G310 helixtrans-67.8-26.1176.200000114F9 G13F9-G11 PolarHBondContact O-N 2.86Å; G11-G13 VanDerWaalsContact C-N 3.33Å
12D98.4Very high98.2Very high113 Ų11365.6 Ų65.660%0.60439%0.389SS*.G310 helixtrans-87.4-5.1178.5-57.2-46.7000112.6F9 A10 I14F9-D12 WeakPolarHBondContact CD1-OD2 3.49Å; F9-D12 PolarHBondContact O-N 3.05Å; A10-D12 VanDerWaalsContact C-N 3.29Å; A10-D12 PolarHBondContact O-N 3.36Å; D12-I14 VanDerWaalsContact C-N 3.29Å; D12-I14 HydrophobicContact CB-CD1 4.16Å; D12-I14 HydrophobicContact CB-CG1 4.1Å; D12-I14 PolarHBondContact O-N 3.41Å
13G97.8Very high98.1Very high67 Ų6766.1 Ų66.169%0.69139%0.391SS*.THydrogen-bonded Turntrans71.619.2-177.200000114.3F9 A10 G11F9-G13 PolarHBondContact O-N 3.41Å; A10-G13 PolarHBondContact O-N 3.06Å; G11-G13 VanDerWaalsContact C-N 3.33Å
14I98.6Very high97.9Very high80 Ų8063.2 Ų63.241%0.4138%0.376SS..  trans-94127.1179.3-54.4175000109.8F9 D12 F16F9-I14 HydrophobicContact CB-CB 4.07Å; F9-I14 HydrophobicContact CD1-CD1 4.18Å; F9-I14 PolarHBondContact O-N 3.31Å; D12-I14 VanDerWaalsContact C-N 3.29Å; D12-I14 HydrophobicContact CB-CD1 4.16Å; D12-I14 HydrophobicContact CB-CG1 4.1Å; D12-I14 PolarHBondContact O-N 3.41Å; I14-F16 HydrophobicContact CB-CE2 4.18Å; I14-F16 HydrophobicContact CG2-CD2 4.31Å; I14-F16 HydrophobicContact CG2-CE2 3.61Å; I14-F16 HydrophobicContact CG2-CZ 4.08Å
15R98.6Very high97.7Very high74 Ų7463.1 Ų63.128%0.27937%0.371SS..  trans-95.8144.3178.3-60.5-176.1-61.9119.7-3.5111.5I63 I64 N66 Q67 L69 N70R15-I63 VanDerWaalsContact CZ-O 3.28Å; R15-I63 PolarHBondContact NH1-O 3.31Å; R15-I63 PolarHBondContact NH2-O 3Å; R15-I64 PolarHBondContact NH2-O 2.79Å; R15-N66 PolarHBondContact NH1-O 3.1Å; R15-Q67 VanDerWaalsContact CD-O 3.23Å; R15-Q67 WeakPolarHBondContact CD-O 3.03Å; R15-L69 PolarHBondContact NH1-O 3.4Å; R15-N70 VanDerWaalsContact CA-OD1 3.31Å; R15-N70 WeakPolarHBondContact CA-OD1 3.41Å; R15-N70 HydrophobicContact CB-CB 4.41Å; R15-N70 HydrophobicContact CG-CB 4.27Å
16F98.5Very high97.5Very high54 Ų5462.2 Ų62.224%0.23737%0.369CS..  trans-124.2120.5175.7-70.1-100.5000109.4T2 L5 A6 F9 I14 N70 G71T2-F16 WeakPolarHBondContact CG2-O 3.37Å; L5-F16 HydrophobicContact CB-CB 4.31Å; L5-F16 HydrophobicContact CB-CD1 3.56Å; L5-F16 HydrophobicContact CB-CD2 4.07Å; L5-F16 HydrophobicContact CB-CE1 3.8Å; L5-F16 HydrophobicContact CB-CE2 4.3Å; L5-F16 HydrophobicContact CB-CG 3.7Å; L5-F16 HydrophobicContact CB-CZ 4.17Å; L5-F16 HydrophobicContact CD1-CD1 3.83Å; L5-F16 HydrophobicContact CD1-CE1 3.89Å; L5-F16 HydrophobicContact CG-CD1 4.32Å; L5-F16 HydrophobicContact CG-CE1 4.35Å; A6-F16 HydrophobicContact CB-CB 4.12Å; F9-F16 HydrophobicContact CB-CD2 4.48Å; F9-F16 HydrophobicContact CB-CE2 3.64Å; F9-F16 HydrophobicContact CB-CZ 4.43Å; F9-F16 HydrophobicContact CD2-CD2 4.49Å; F9-F16 AromaticContact CD2-CE2 3.45Å; F9-F16 HydrophobicContact CD2-CE2 3.45Å; F9-F16 VanDerWaalsContact CD2-CE2 3.45Å; F9-F16 AromaticContact CD2-CZ 3.49Å; F9-F16 HydrophobicContact CD2-CZ 3.49Å; F9-F16 VanDerWaalsContact CD2-CZ 3.49Å; F9-F16 HydrophobicContact CE2-CE2 4.31Å; F9-F16 AromaticContact CE2-CZ 3.89Å; F9-F16 HydrophobicContact CE2-CZ 3.89Å; F9-F16 AromaticContact CG-CE2 3.7Å; F9-F16 HydrophobicContact CG-CE2 3.7Å; F9-F16 HydrophobicContact CG-CZ 4Å; I14-F16 HydrophobicContact CB-CE2 4.18Å; I14-F16 HydrophobicContact CG2-CD2 4.31Å; I14-F16 HydrophobicContact CG2-CE2 3.61Å; I14-F16 HydrophobicContact CG2-CZ 4.08Å; F16-N70 PolarHBondContact N-OD1 2.86Å; F16-N70 PolarHBondContact O-OD1 3.37Å; F16-G71 WeakPolarHBondContact O-CA 3.48Å; F16-G71 PolarHBondContact O-N 3.34Å
17N98.6Very high97.2Very high37 Ų3767.5 Ų67.520%0.19840%0.402CS..  trans-132.2161.7173.4-66.7-73.8000109.4I63 L69 N70 G71N17-I63 HydrophobicContact CB-CD1 4.44Å; N17-I63 HydrophobicContact CB-CG2 3.93Å; N17-L69 PolarHBondContact ND2-O 3.23Å; N17-N70 VanDerWaalsContact OD1-CA 3.31Å; N17-N70 WeakPolarHBondContact OD1-CA 3.32Å; N17-N70 PolarHBondContact OD1-N 2.85Å; N17-G71 PolarHBondContact OD1-N 2.75Å
18T98.8Very high96.8Very high54 Ų5465.8 Ų65.833%0.33141%0.405SS..EExtended strand (participates in β ladder)trans-131.5137.7178.6-60.50000109.4T2 E72 T73 I74T2-T18 WeakPolarHBondContact CG2-OG1 3.31Å; T2-T18 PolarHBondContact OG1-OG1 3.44Å; T18-E72 PolarHBondContact N-O 3.34Å; T18-T73 HydrophobicContact CG2-CG2 4.1Å; T18-T73 CarbonylContact O-C 3.55Å; T18-T73 VanDerWaalsContact O-CA 3.27Å; T18-T73 WeakPolarHBondContact O-CA 3.43Å; T18-I74 PolarHBondContact O-N 3.27Å
19I98.5Very high96.2Very high23 Ų2361.2 Ų61.212%0.11838%0.381CS..EExtended strand (participates in β ladder)trans-106.5128.8169.2-58.2169000107P21 Y56 L59 V60 I63 F76I19-P21 VanDerWaalsContact O-CD 3.25Å; I19-P21 WeakPolarHBondContact O-CD 3.23Å; I19-Y56 HydrophobicContact CB-CE2 3.75Å; I19-Y56 HydrophobicContact CD1-CD2 4.47Å; I19-Y56 HydrophobicContact CD1-CE1 4.33Å; I19-Y56 HydrophobicContact CD1-CE2 3.9Å; I19-Y56 HydrophobicContact CG1-CE2 4.45Å; I19-Y56 HydrophobicContact CG2-CD2 3.92Å; I19-Y56 HydrophobicContact CG2-CE2 3.43Å; I19-Y56 VanDerWaalsContact CG2-CE2 3.43Å; I19-L59 HydrophobicContact CD1-CB 4.4Å; I19-L59 HydrophobicContact CD1-CD2 3.91Å; I19-L59 HydrophobicContact CD1-CG 3.92Å; I19-L59 HydrophobicContact CG1-CD2 3.94Å; I19-L59 HydrophobicContact CG1-CG 4.31Å; I19-L59 HydrophobicContact CG2-CD2 3.81Å; I19-V60 HydrophobicContact CD1-CG2 3.58Å; I19-I63 HydrophobicContact CD1-CD1 3.83Å; I19-I63 HydrophobicContact CG1-CD1 3.75Å; I19-F76 HydrophobicContact CG2-CB 3.89Å
20A97.8Very high95.5Very high38 Ų3860.7 Ų60.731%0.31439%0.386SS..EExtended strand (participates in β ladder)trans-105.790.1172.200000108.3T73 I74 F76A20-T73 HydrophobicContact CB-CG2 3.92Å; A20-I74 PolarHBondContact N-O 3.24Å; A20-F76 PolarHBondContact O-N 3.49Å
21P97.2Very high95Very high66 Ų6662.5 Ų62.543%0.42940%0.395SS..EExtended strand (participates in β ladder)trans-72.1149.9-178.630.6-34.8000111.4I19 M24 Y56 F76I19-P21 VanDerWaalsContact O-CD 3.25Å; I19-P21 WeakPolarHBondContact O-CD 3.23Å; P21-M24 HydrophobicContact CB-CG 3.97Å; P21-M24 HydrophobicContact CB-SD 4.5Å; P21-Y56 HydrophobicContact CB-CD2 4.34Å; P21-Y56 HydrophobicContact CB-CE2 4.4Å; P21-Y56 HydrophobicContact CG-CE2 4.42Å; P21-F76 CarbonylContact C-O 3.53Å; P21-F76 WeakPolarHBondContact CA-O 3.34Å
22G95.8Very high94.5Very high23 Ų2361.5 Ų61.524%0.23737%0.371CS..  trans-78.2-145163.500000111.7M24 F76 D77G22-M24 PolarHBondContact O-N 3.24Å; G22-F76 PolarHBondContact N-O 3.34Å; G22-D77 VanDerWaalsContact CA-CB 3.5Å
23L95.4Very high94.3Very high27 Ų2760.2 Ų60.214%0.14137%0.368CS..SBendtrans-79.7120.1178.3-60.9166.1000110.2L29 L40 I44 L50 G51 L80L23-L29 HydrophobicContact CB-CD1 4.46Å; L23-L29 HydrophobicContact CD2-CD1 4.47Å; L23-L40 HydrophobicContact CD1-CB 3.99Å; L23-L40 HydrophobicContact CD1-CD2 4.27Å; L23-L40 WeakPolarHBondContact CD1-O 3.34Å; L23-I44 HydrophobicContact CB-CD1 4.13Å; L23-I44 HydrophobicContact CD1-CD1 4.34Å; L23-I44 HydrophobicContact CD1-CG1 4.33Å; L23-L50 HydrophobicContact CB-CD2 3.66Å; L23-G51 PolarHBondContact O-N 2.75Å; L23-L80 HydrophobicContact CD1-CD2 3.79Å; L23-L80 HydrophobicContact CG-CD2 3.8Å
24M95.6Very high94Very high21 Ų2162.9 Ų62.910%0.10336%0.363CS..BIsolated β-bridgetrans-120139-174.6-59.2-63.6-6500111.2P21 G22 T26 L29 G51 H52 F76P21-M24 HydrophobicContact CB-CG 3.97Å; P21-M24 HydrophobicContact CB-SD 4.5Å; G22-M24 PolarHBondContact O-N 3.24Å; M24-T26 HydrophobicContact CB-CG2 3.92Å; M24-T26 PolarHBondContact O-N 3.16Å; M24-T26 PolarHBondContact O-OG1 3.45Å; M24-L29 VanDerWaalsContact O-CD1 3.26Å; M24-L29 WeakPolarHBondContact O-CD1 3.36Å; M24-G51 CarbonylContact C-O 3.54Å; M24-G51 WeakPolarHBondContact CA-O 3.47Å; M24-H52 VanDerWaalsContact CE-O 3.25Å; M24-H52 WeakPolarHBondContact CE-O 3.48Å; M24-F76 HydrophobicContact CE-CE1 4.28Å; M24-F76 HydrophobicContact SD-CD1 4.49Å; M24-F76 HydrophobicContact SD-CE1 4.47Å
25D93.9Very high93.7Very high72 Ų7267.8 Ų67.839%0.38538%0.381SS..  trans-71.590.9175.4-17218000110.4L50 G51 P53D25-L50 HydrophobicContact CB-CB 4.06Å; D25-L50 HydrophobicContact CB-CD1 4.27Å; D25-G51 PolarHBondContact N-O 3.32Å; D25-P53 WeakPolarHBondContact O-CD 3.25Å; D25-P53 WeakPolarHBondContact O-CG 3.16Å
26T93.9Very high93.4Very high43 Ų4367.1 Ų67.126%0.26439%0.385SS..SBendtrans-136.9161.8-175.660.80000109.4M24 L28 L29 S30 P53M24-T26 HydrophobicContact CB-CG2 3.92Å; M24-T26 PolarHBondContact O-N 3.16Å; M24-T26 PolarHBondContact O-OG1 3.45Å; T26-L28 PolarHBondContact O-N 3.01Å; T26-L29 PolarHBondContact O-N 3.26Å; T26-S30 PolarHBondContact O-N 3.47Å; T26-S30 VanDerWaalsContact O-N 3.1Å; T26-S30 PolarHBondContact O-OG 3.08Å; T26-S30 VanDerWaalsContact O-OG 3.07Å; T26-P53 HydrophobicContact CG2-CG 4.36Å
27P92.6Very high93Very high115 Ų11566.4 Ų66.475%0.74738%0.382SS*.Hα-helixtrans-50.3-28.4176-30.537.4000114.5L29 S30P27-L29 VanDerWaalsContact C-N 3.35Å; P27-L29 PolarHBondContact O-N 2.95Å; P27-S30 WeakPolarHBondContact CA-OG 3.4Å; P27-S30 PolarHBondContact O-N 3.37Å
28L89.5Confident92.6Very high139 Ų13967.2 Ų67.273%0.72839%0.391SS*.Hα-helixtrans-55.7-47.4174.3-178.763.1000112T26 S31T26-L28 PolarHBondContact O-N 3.01Å; L28-S31 PolarHBondContact O-OG 3.19Å
29L87.2Confident92.3Very high24 Ų2470.3 Ų70.313%0.12640%0.4CS..Hα-helixtrans-86.6-16.2178.4-60.9-171.2000113L23 M24 T26 P27 S31 L32 K37 L50L23-L29 HydrophobicContact CB-CD1 4.46Å; L23-L29 HydrophobicContact CD2-CD1 4.47Å; M24-L29 VanDerWaalsContact O-CD1 3.26Å; M24-L29 WeakPolarHBondContact O-CD1 3.36Å; T26-L29 PolarHBondContact O-N 3.26Å; P27-L29 VanDerWaalsContact C-N 3.35Å; P27-L29 PolarHBondContact O-N 2.95Å; L29-S31 PolarHBondContact O-N 2.82Å; L29-L32 HydrophobicContact CB-CD1 4.47Å; L29-L32 HydrophobicContact CD2-CD1 3.81Å; L29-L32 WeakPolarHBondContact O-CB 3.43Å; L29-L32 PolarHBondContact O-N 3.37Å; L29-L32 VanDerWaalsContact O-N 3.1Å; L29-K37 WeakPolarHBondContact O-CE 3.25Å; L29-L50 HydrophobicContact CD1-CD1 4.29Å; L29-L50 HydrophobicContact CD1-CD2 4.17Å
30S82.6Confident92Very high62 Ų6270.5 Ų70.543%0.43440%0.401SS..Hα-helixtrans-62.7-25.6179.3-52.70000113.2T26 P27 L32T26-S30 PolarHBondContact O-N 3.47Å; T26-S30 VanDerWaalsContact O-N 3.1Å; T26-S30 PolarHBondContact O-OG 3.08Å; T26-S30 VanDerWaalsContact O-OG 3.07Å; P27-S30 WeakPolarHBondContact CA-OG 3.4Å; P27-S30 PolarHBondContact O-N 3.37Å; S30-L32 VanDerWaalsContact C-N 3.26Å; S30-L32 PolarHBondContact O-N 2.96Å
31S86.8Confident91.8Very high101 Ų10169.4 Ų69.471%0.70639%0.392SS*.THydrogen-bonded Turntrans-71.7-15.1176.566.40000114.3L28 L29L28-S31 PolarHBondContact O-OG 3.19Å; L29-S31 PolarHBondContact O-N 2.82Å
32L89.7Confident91.6Very high59 Ų5972.9 Ų72.931%0.30940%0.403SS..SBendtrans-77.9149.1-179.1-62.2176.2000111.3L29 S30 V36 K37 L40L29-L32 HydrophobicContact CB-CD1 4.47Å; L29-L32 HydrophobicContact CD2-CD1 3.81Å; L29-L32 WeakPolarHBondContact O-CB 3.43Å; L29-L32 PolarHBondContact O-N 3.37Å; L29-L32 VanDerWaalsContact O-N 3.1Å; S30-L32 VanDerWaalsContact C-N 3.26Å; S30-L32 PolarHBondContact O-N 2.96Å; L32-V36 HydrophobicContact CB-CB 4.42Å; L32-V36 HydrophobicContact CB-CG1 4.48Å; L32-V36 HydrophobicContact CD1-CG1 4.19Å; L32-K37 HydrophobicContact CB-CG 4.17Å; L32-K37 WeakPolarHBondContact O-CE 3.35Å; L32-L40 HydrophobicContact CD1-CD1 3.88Å
33P93.6Very high91.5Very high85 Ų8574.2 Ų74.255%0.55240%0.404SS*.  trans-58.5146.2170.4-22.232.7000111.5K35 V36 K37P33-K35 VanDerWaalsContact C-N 3.25Å; P33-K35 PolarHBondContact O-N 3.21Å; P33-V36 HydrophobicContact CB-CG2 4.26Å; P33-V36 HydrophobicContact CG-CG2 4.29Å; P33-V36 WeakPolarHBondContact O-CA 3.03Å; P33-V36 WeakPolarHBondContact O-CB 3.32Å; P33-V36 PolarHBondContact O-N 2.93Å; P33-K37 PolarHBondContact O-N 2.85Å
34E91.4Very high91.6Very high123 Ų12373.2 Ų73.258%0.57540%0.399SS*.Hα-helixtrans-57.6-38.8-174.1-161.355-146.800113V36 K37 S38E34-V36 PolarHBondContact O-N 2.95Å; E34-K37 PolarHBondContact O-N 3.2Å; E34-K37 VanDerWaalsContact O-N 3.13Å; E34-K37 IonicContact OE2-NZ 3.68Å; E34-K37 PolarHBondContact OE2-NZ 3.1Å; E34-S38 PolarHBondContact O-N 3.44Å; E34-S38 PolarHBondContact O-OG 2.84Å; E34-S38 VanDerWaalsContact O-OG 3.05Å
35K92.3Very high91.7Very high183 Ų18376 Ų7680%0.79642%0.419SS*.Hα-helixtrans-56.3-37174.8-171.6179.9-179.6-177.60112.8P33 F39P33-K35 VanDerWaalsContact C-N 3.25Å; P33-K35 PolarHBondContact O-N 3.21Å; K35-F39 WeakPolarHBondContact O-CB 3.27Å; K35-F39 PolarHBondContact O-N 3.43Å; K35-F39 VanDerWaalsContact O-N 3.12Å
36V91.6Very high91.8Very high60 Ų6078.5 Ų78.536%0.36443%0.432SS..Hα-helixtrans-73.3-42.7179-179.20000110.2L32 P33 E34 S38 F39 L40L32-V36 HydrophobicContact CB-CB 4.42Å; L32-V36 HydrophobicContact CB-CG1 4.48Å; L32-V36 HydrophobicContact CD1-CG1 4.19Å; P33-V36 HydrophobicContact CB-CG2 4.26Å; P33-V36 HydrophobicContact CG-CG2 4.29Å; P33-V36 WeakPolarHBondContact O-CA 3.03Å; P33-V36 WeakPolarHBondContact O-CB 3.32Å; P33-V36 PolarHBondContact O-N 2.93Å; E34-V36 PolarHBondContact O-N 2.95Å; V36-S38 PolarHBondContact O-N 3.22Å; V36-F39 PolarHBondContact O-N 3.1Å; V36-L40 HydrophobicContact CG1-CD1 4.04Å; V36-L40 HydrophobicContact CG1-CG 4.29Å; V36-L40 WeakPolarHBondContact O-CB 3.4Å; V36-L40 VanDerWaalsContact O-CG 3.28Å; V36-L40 WeakPolarHBondContact O-CG 3.26Å; V36-L40 PolarHBondContact O-N 2.86Å
37K90.3Very high91.8Very high39 Ų3979.2 Ų79.217%0.1744%0.437CS..Hα-helixtrans-60.5-45.1175.8-61.2-176.8-148.7153.50111.7L29 L32 P33 E34 F39 L40 A41L29-K37 WeakPolarHBondContact O-CE 3.25Å; L32-K37 HydrophobicContact CB-CG 4.17Å; L32-K37 WeakPolarHBondContact O-CE 3.35Å; P33-K37 PolarHBondContact O-N 2.85Å; E34-K37 PolarHBondContact O-N 3.2Å; E34-K37 VanDerWaalsContact O-N 3.13Å; E34-K37 IonicContact OE2-NZ 3.68Å; E34-K37 PolarHBondContact OE2-NZ 3.1Å; K37-F39 VanDerWaalsContact C-N 3.34Å; K37-F39 PolarHBondContact O-N 3.12Å; K37-L40 PolarHBondContact O-N 3.32Å; K37-A41 WeakPolarHBondContact O-CB 3.34Å; K37-A41 PolarHBondContact O-N 3.42Å
38S91.1Very high92Very high54 Ų5477.4 Ų77.438%0.37843%0.427SS..Hα-helixtrans-62.2-41.7177.7-50.70000111.8E34 V36 A41 Q42E34-S38 PolarHBondContact O-N 3.44Å; E34-S38 PolarHBondContact O-OG 2.84Å; E34-S38 VanDerWaalsContact O-OG 3.05Å; V36-S38 PolarHBondContact O-N 3.22Å; S38-A41 PolarHBondContact O-N 2.79Å; S38-Q42 WeakPolarHBondContact O-CG 3.25Å; S38-Q42 PolarHBondContact O-N 3.39Å
39F92Very high92.2Very high120 Ų12074.8 Ų74.853%0.52641%0.408SS..Hα-helixtrans-63.2-46.9175.2173.6-103.4000111.9K35 V36 K37 A41 Q42 L43K35-F39 WeakPolarHBondContact O-CB 3.27Å; K35-F39 PolarHBondContact O-N 3.43Å; K35-F39 VanDerWaalsContact O-N 3.12Å; V36-F39 PolarHBondContact O-N 3.1Å; K37-F39 VanDerWaalsContact C-N 3.34Å; K37-F39 PolarHBondContact O-N 3.12Å; F39-A41 VanDerWaalsContact C-N 3.31Å; F39-A41 PolarHBondContact O-N 3.31Å; F39-Q42 WeakPolarHBondContact O-CB 3.22Å; F39-Q42 PolarHBondContact O-N 3.07Å; F39-Q42 VanDerWaalsContact O-N 3.11Å; F39-L43 HydrophobicContact CE1-CD1 4.06Å; F39-L43 HydrophobicContact CE1-CD2 4.46Å; F39-L43 HydrophobicContact CE1-CG 4.42Å; F39-L43 HydrophobicContact CZ-CD1 4.49Å; F39-L43 HydrophobicContact CZ-CD2 4.09Å; F39-L43 HydrophobicContact CZ-CG 4.49Å; F39-L43 PolarHBondContact O-N 2.9Å
40L92.3Very high92.7Very high26 Ų2674.6 Ų74.614%0.13641%0.407CS..Hα-helixtrans-60.4-40177.7-74.6177.9000112.3L23 L32 V36 K37 Q42 L43L23-L40 HydrophobicContact CD1-CB 3.99Å; L23-L40 HydrophobicContact CD1-CD2 4.27Å; L23-L40 WeakPolarHBondContact CD1-O 3.34Å; L32-L40 HydrophobicContact CD1-CD1 3.88Å; V36-L40 HydrophobicContact CG1-CD1 4.04Å; V36-L40 HydrophobicContact CG1-CG 4.29Å; V36-L40 WeakPolarHBondContact O-CB 3.4Å; V36-L40 VanDerWaalsContact O-CG 3.28Å; V36-L40 WeakPolarHBondContact O-CG 3.26Å; V36-L40 PolarHBondContact O-N 2.86Å; K37-L40 PolarHBondContact O-N 3.32Å; L40-Q42 VanDerWaalsContact C-N 3.28Å; L40-Q42 PolarHBondContact O-N 2.94Å; L40-L43 HydrophobicContact CD2-CD1 4.09Å; L40-L43 WeakPolarHBondContact O-CB 3.39Å; L40-L43 PolarHBondContact O-N 3.11Å
41A92.8Very high93.3Very high16 Ų1672.2 Ų72.213%0.13239%0.392CS..Hα-helixtrans-60.7-36.3174.900000112.7K37 S38 F39 L43 I44 L50K37-A41 WeakPolarHBondContact O-CB 3.34Å; K37-A41 PolarHBondContact O-N 3.42Å; S38-A41 PolarHBondContact O-N 2.79Å; F39-A41 VanDerWaalsContact C-N 3.31Å; F39-A41 PolarHBondContact O-N 3.31Å; A41-L43 VanDerWaalsContact C-N 3.29Å; A41-L43 PolarHBondContact O-N 3.4Å; A41-I44 WeakPolarHBondContact O-CB 3.35Å; A41-I44 PolarHBondContact O-N 3.01Å; A41-L50 HydrophobicContact CB-CD2 4.49Å; A41-L50 HydrophobicContact CB-CG 4.36Å
42Q93.6Very high93.8Very high139 Ų13970.4 Ų70.465%0.6537%0.372SS*.Hα-helixtrans-71.6-21.1178.8-70.5171.44.900113.6S38 F39 L40 I44S38-Q42 WeakPolarHBondContact O-CG 3.25Å; S38-Q42 PolarHBondContact O-N 3.39Å; F39-Q42 WeakPolarHBondContact O-CB 3.22Å; F39-Q42 PolarHBondContact O-N 3.07Å; F39-Q42 VanDerWaalsContact O-N 3.11Å; L40-Q42 VanDerWaalsContact C-N 3.28Å; L40-Q42 PolarHBondContact O-N 2.94Å; Q42-I44 PolarHBondContact O-N 2.91Å
43L94.1Very high94.1Very high51 Ų5171.1 Ų71.127%0.26738%0.38SS..THydrogen-bonded Turntrans-69.3-18.6175-62.8176.9000112.3F39 L40 A41 P45 L80 P83F39-L43 HydrophobicContact CE1-CD1 4.06Å; F39-L43 HydrophobicContact CE1-CD2 4.46Å; F39-L43 HydrophobicContact CE1-CG 4.42Å; F39-L43 HydrophobicContact CZ-CD1 4.49Å; F39-L43 HydrophobicContact CZ-CD2 4.09Å; F39-L43 HydrophobicContact CZ-CG 4.49Å; F39-L43 PolarHBondContact O-N 2.9Å; L40-L43 HydrophobicContact CD2-CD1 4.09Å; L40-L43 WeakPolarHBondContact O-CB 3.39Å; L40-L43 PolarHBondContact O-N 3.11Å; A41-L43 VanDerWaalsContact C-N 3.29Å; A41-L43 PolarHBondContact O-N 3.4Å; L43-P45 VanDerWaalsContact O-CD 3.32Å; L43-P45 WeakPolarHBondContact O-CD 3.47Å; L43-L80 HydrophobicContact CB-CD1 3.91Å; L43-L80 VanDerWaalsContact O-CD1 3.25Å; L43-L80 WeakPolarHBondContact O-CD1 3.21Å; L43-P83 HydrophobicContact CD1-CG 4.42Å; L43-P83 HydrophobicContact CD2-CG 4.43Å
44I96.9Very high94.3Very high5 Ų573.6 Ų73.63%0.02638%0.384CS..  trans-82.4118.9-178.5-56.5163.8000108.5L23 A41 Q42 P47 S48 R49 L50 L80L23-I44 HydrophobicContact CB-CD1 4.13Å; L23-I44 HydrophobicContact CD1-CD1 4.34Å; L23-I44 HydrophobicContact CD1-CG1 4.33Å; A41-I44 WeakPolarHBondContact O-CB 3.35Å; A41-I44 PolarHBondContact O-N 3.01Å; Q42-I44 PolarHBondContact O-N 2.91Å; I44-P47 WeakPolarHBondContact CG2-O 3.42Å; I44-S48 WeakPolarHBondContact O-CA 3.28Å; I44-S48 WeakPolarHBondContact O-CB 3.43Å; I44-S48 PolarHBondContact O-OG 3.4Å; I44-R49 WeakPolarHBondContact CD1-O 3.48Å; I44-L50 HydrophobicContact CD1-CD2 4.33Å; I44-L80 HydrophobicContact CG1-CD1 4.46Å; I44-L80 HydrophobicContact CG1-CD2 4.29Å
45P96.8Very high94.7Very high81 Ų8170 Ų7053%0.52637%0.367SS..SBendtrans-60.5-54.9-176.5-27.835.2000114.2L43 G78 A79L43-P45 VanDerWaalsContact O-CD 3.32Å; L43-P45 WeakPolarHBondContact O-CD 3.47Å; P45-G78 VanDerWaalsContact CD-O 3.28Å; P45-G78 WeakPolarHBondContact CD-O 3.32Å; P45-A79 HydrophobicContact CB-CB 4.41Å; P45-A79 HydrophobicContact CG-CB 4.29Å
46N96.1Very high94.9Very high124 Ų12465.5 Ų65.566%0.66335%0.346SS*.SBendtrans-164.5128.9179.9-176.452.1000111.5G78N46-G78 PolarHBondContact N-O 2.84Å; N46-G78 CarbonylContact O-C 3.4Å; N46-G78 VanDerWaalsContact O-CA 3.29Å; N46-G78 WeakPolarHBondContact O-CA 3.42Å; N46-G78 VanDerWaalsContact O-O 3.12Å
47P95.8Very high95.3Very high57 Ų5764.2 Ų64.237%0.3735%0.345SS..SBendcis-67.5136.3-6.529-34.9000111.9I44 R49I44-P47 WeakPolarHBondContact CG2-O 3.42Å; P47-R49 HydrophobicContact CB-CG 4.24Å; P47-R49 PolarHBondContact O-N 3.24Å
48S95.5Very high95.7Very high77 Ų7765.1 Ų65.154%0.53836%0.36SS..  trans-78.966.4-175.8-161.70000112.4I44I44-S48 WeakPolarHBondContact O-CA 3.28Å; I44-S48 WeakPolarHBondContact O-CB 3.43Å; I44-S48 PolarHBondContact O-OG 3.4Å
49R95.1Very high96Very high84 Ų8463.8 Ų63.832%0.31735%0.348SS..SBendtrans-158.6163.817758.2163.2176.778.7-0109.9I44 P47 H52 E55I44-R49 WeakPolarHBondContact CD1-O 3.48Å; P47-R49 HydrophobicContact CB-CG 4.24Å; P47-R49 PolarHBondContact O-N 3.24Å; R49-H52 PolarHBondContact NH1-CD2 3Å; R49-E55 IonicContact CZ-OE1 2.83Å; R49-E55 IonicContact CZ-OE2 3.6Å; R49-E55 IonicContact NH1-OE1 2.69Å; R49-E55 IonicContact NH1-OE2 2.78Å; R49-E55 PolarHBondContact NH1-OE2 3.46Å; R49-E55 IonicContact NH2-OE1 3.8Å; R49-E55 PolarHBondContact NH2-OE1 2.91Å; R49-E55 IonicContact NH2-OE2 2.71Å; R49-E55 PolarHBondContact NH2-OE2 3.47Å
50L95.7Very high96.3Very high20 Ų2060.6 Ų60.611%0.10534%0.339CS..PPolyproline II helixtrans-59142.9166.9-59.1-179.7000110.3L23 D25 L29 A41 I44L23-L50 HydrophobicContact CB-CD2 3.66Å; D25-L50 HydrophobicContact CB-CB 4.06Å; D25-L50 HydrophobicContact CB-CD1 4.27Å; L29-L50 HydrophobicContact CD1-CD1 4.29Å; L29-L50 HydrophobicContact CD1-CD2 4.17Å; A41-L50 HydrophobicContact CB-CD2 4.49Å; A41-L50 HydrophobicContact CB-CG 4.36Å; I44-L50 HydrophobicContact CD1-CD2 4.33Å
51G96.6Very high96.7Very high12 Ų1264.5 Ų64.512%0.12436%0.356CS..BIsolated β-bridgetrans-69.2142.817200000110.6L23 M24 D25L23-G51 PolarHBondContact O-N 2.75Å; M24-G51 CarbonylContact C-O 3.54Å; M24-G51 WeakPolarHBondContact CA-O 3.47Å; D25-G51 PolarHBondContact N-O 3.32Å
52H96.4Very high96.9Very high64 Ų6468 Ų6830%0.29637%0.37SS..PPolyproline II helixtrans-90.7144.9177.1-61.4-60.8000110.8M24 R49 H54 E55M24-H52 VanDerWaalsContact CE-O 3.25Å; M24-H52 WeakPolarHBondContact CE-O 3.48Å; R49-H52 PolarHBondContact NH1-CD2 3Å; H52-H54 WeakPolarHBondContact CB-CE1 3.43Å; H52-H54 WeakPolarHBondContact CB-ND1 3.15Å; H52-H54 AromaticContact CD2-CE1 3.91Å; H52-H54 AromaticContact CG-CE1 3.84Å; H52-H54 PolarHBondContact O-N 3.48Å; H52-H54 VanDerWaalsContact O-N 3.11Å; H52-E55 HydrophobicContact CB-CG 4.18Å; H52-E55 IonicContact CD2-OE2 3.15Å; H52-E55 PolarHBondContact N-OE2 3.3Å; H52-E55 WeakPolarHBondContact O-CB 3.4Å; H52-E55 PolarHBondContact O-N 3.4Å
53P96.9Very high97.2Very high73 Ų7362.3 Ų62.347%0.47434%0.344SS..Hα-helixtrans-55.9-31.5-178.6-29.536.3000115D25 T26 E55 Y56 G57D25-P53 WeakPolarHBondContact O-CD 3.25Å; D25-P53 WeakPolarHBondContact O-CG 3.16Å; T26-P53 HydrophobicContact CG2-CG 4.36Å; P53-E55 VanDerWaalsContact C-N 3.28Å; P53-E55 PolarHBondContact O-N 3.16Å; P53-Y56 WeakPolarHBondContact O-CB 3.32Å; P53-Y56 PolarHBondContact O-N 2.97Å; P53-G57 PolarHBondContact O-N 2.78Å
54H97.8Very high97.4Very high137 Ų13765.4 Ų65.463%0.63436%0.359SS*.Hα-helixtrans-66.8-29177.870.6-94.3000112.8H52 G57 A58H52-H54 WeakPolarHBondContact CB-CE1 3.43Å; H52-H54 WeakPolarHBondContact CB-ND1 3.15Å; H52-H54 AromaticContact CD2-CE1 3.91Å; H52-H54 AromaticContact CG-CE1 3.84Å; H52-H54 PolarHBondContact O-N 3.48Å; H52-H54 VanDerWaalsContact O-N 3.11Å; H54-G57 PolarHBondContact O-N 3.22Å; H54-A58 PolarHBondContact O-N 3Å
55E98.3Very high97.5Very high48 Ų4871 Ų7122%0.22439%0.385CS..Hα-helixtrans-71.1-36.9177.4-51.1177.210600110.6R49 H52 P53 A58 L59 F76R49-E55 IonicContact CZ-OE1 2.83Å; R49-E55 IonicContact CZ-OE2 3.6Å; R49-E55 IonicContact NH1-OE1 2.69Å; R49-E55 IonicContact NH1-OE2 2.78Å; R49-E55 PolarHBondContact NH1-OE2 3.46Å; R49-E55 IonicContact NH2-OE1 3.8Å; R49-E55 PolarHBondContact NH2-OE1 2.91Å; R49-E55 IonicContact NH2-OE2 2.71Å; R49-E55 PolarHBondContact NH2-OE2 3.47Å; H52-E55 HydrophobicContact CB-CG 4.18Å; H52-E55 IonicContact CD2-OE2 3.15Å; H52-E55 PolarHBondContact N-OE2 3.3Å; H52-E55 WeakPolarHBondContact O-CB 3.4Å; H52-E55 PolarHBondContact O-N 3.4Å; P53-E55 VanDerWaalsContact C-N 3.28Å; P53-E55 PolarHBondContact O-N 3.16Å; E55-A58 PolarHBondContact O-N 3.35Å; E55-L59 PolarHBondContact O-N 3.13Å; E55-F76 HydrophobicContact CB-CE1 4.08Å; E55-F76 HydrophobicContact CB-CZ 3.69Å; E55-F76 WeakPolarHBondContact O-CZ 3.29Å
56Y98.3Very high97.6Very high88 Ų8869.9 Ų69.935%0.34538%0.375SS..Hα-helixtrans-63.8-44.1169.9-179.1-84.3000111I19 P21 P53 A58 L59 V60 F76I19-Y56 HydrophobicContact CB-CE2 3.75Å; I19-Y56 HydrophobicContact CD1-CD2 4.47Å; I19-Y56 HydrophobicContact CD1-CE1 4.33Å; I19-Y56 HydrophobicContact CD1-CE2 3.9Å; I19-Y56 HydrophobicContact CG1-CE2 4.45Å; I19-Y56 HydrophobicContact CG2-CD2 3.92Å; I19-Y56 HydrophobicContact CG2-CE2 3.43Å; I19-Y56 VanDerWaalsContact CG2-CE2 3.43Å; P21-Y56 HydrophobicContact CB-CD2 4.34Å; P21-Y56 HydrophobicContact CB-CE2 4.4Å; P21-Y56 HydrophobicContact CG-CE2 4.42Å; P53-Y56 WeakPolarHBondContact O-CB 3.32Å; P53-Y56 PolarHBondContact O-N 2.97Å; Y56-A58 VanDerWaalsContact C-N 3.3Å; Y56-A58 PolarHBondContact O-N 3.01Å; Y56-L59 PolarHBondContact O-N 2.85Å; Y56-L59 VanDerWaalsContact O-N 3.16Å; Y56-V60 HydrophobicContact CD1-CG2 3.89Å; Y56-V60 HydrophobicContact CE1-CG2 3.5Å; Y56-V60 WeakPolarHBondContact O-CG2 3.49Å; Y56-V60 PolarHBondContact O-N 3.27Å; Y56-F76 HydrophobicContact CD2-CD1 4.45Å
57G98.4Very high97.7Very high34 Ų3471.7 Ų71.735%0.35138%0.379SS..Hα-helixtrans-57.7-40.9175.100000113P53 H54 L59 V60 Q61P53-G57 PolarHBondContact O-N 2.78Å; H54-G57 PolarHBondContact O-N 3.22Å; G57-L59 VanDerWaalsContact C-N 3.35Å; G57-L59 PolarHBondContact O-N 2.96Å; G57-V60 WeakPolarHBondContact O-CB 3.36Å; G57-V60 PolarHBondContact O-N 2.69Å; G57-Q61 PolarHBondContact O-N 2.78Å
58A98.7Very high97.8Very high57 Ų5779.4 Ų79.447%0.47140%0.403SS..Hα-helixtrans-62.5-39.8175.700000112.4H54 E55 Y56 Q61 H62H54-A58 PolarHBondContact O-N 3Å; E55-A58 PolarHBondContact O-N 3.35Å; Y56-A58 VanDerWaalsContact C-N 3.3Å; Y56-A58 PolarHBondContact O-N 3.01Å; A58-Q61 PolarHBondContact O-N 2.88Å; A58-H62 PolarHBondContact O-N 2.83Å
59L98.7Very high97.9Very high26 Ų2677.7 Ų77.714%0.13639%0.387CS..Hα-helixtrans-66-41.3174.3-179.959.3000111.9I19 E55 Y56 G57 Q61 H62 I63 I74 F76I19-L59 HydrophobicContact CD1-CB 4.4Å; I19-L59 HydrophobicContact CD1-CD2 3.91Å; I19-L59 HydrophobicContact CD1-CG 3.92Å; I19-L59 HydrophobicContact CG1-CD2 3.94Å; I19-L59 HydrophobicContact CG1-CG 4.31Å; I19-L59 HydrophobicContact CG2-CD2 3.81Å; E55-L59 PolarHBondContact O-N 3.13Å; Y56-L59 PolarHBondContact O-N 2.85Å; Y56-L59 VanDerWaalsContact O-N 3.16Å; G57-L59 VanDerWaalsContact C-N 3.35Å; G57-L59 PolarHBondContact O-N 2.96Å; L59-Q61 VanDerWaalsContact C-N 3.34Å; L59-Q61 PolarHBondContact O-N 3.12Å; L59-H62 PolarHBondContact O-N 3.22Å; L59-I63 HydrophobicContact CD1-CD1 4.49Å; L59-I63 HydrophobicContact CD1-CG1 4.49Å; L59-I63 HydrophobicContact CG-CD1 4.25Å; L59-I63 WeakPolarHBondContact O-CG1 3.44Å; L59-I63 PolarHBondContact O-N 2.93Å; L59-I74 HydrophobicContact CD1-CD1 4.18Å; L59-I74 HydrophobicContact CD1-CG2 4.44Å; L59-I74 HydrophobicContact CD2-CB 4.45Å; L59-I74 HydrophobicContact CD2-CG2 3.98Å; L59-F76 HydrophobicContact CD2-CB 3.92Å; L59-F76 HydrophobicContact CD2-CD2 3.77Å; L59-F76 HydrophobicContact CD2-CE2 4.47Å; L59-F76 HydrophobicContact CD2-CG 3.85Å
60V98.7Very high98.1Very high54 Ų5476.9 Ų76.933%0.32739%0.389SS..Hα-helixtrans-58.6-47.4174.1171.90000110.6I19 Y56 G57 H62 I63 I64I19-V60 HydrophobicContact CD1-CG2 3.58Å; Y56-V60 HydrophobicContact CD1-CG2 3.89Å; Y56-V60 HydrophobicContact CE1-CG2 3.5Å; Y56-V60 WeakPolarHBondContact O-CG2 3.49Å; Y56-V60 PolarHBondContact O-N 3.27Å; G57-V60 WeakPolarHBondContact O-CB 3.36Å; G57-V60 PolarHBondContact O-N 2.69Å; V60-H62 VanDerWaalsContact C-N 3.33Å; V60-H62 PolarHBondContact O-N 3.22Å; V60-I63 PolarHBondContact O-N 3.47Å; V60-I64 HydrophobicContact CG1-CD1 3.98Å; V60-I64 WeakPolarHBondContact O-CG1 3.47Å; V60-I64 PolarHBondContact O-N 3.47Å
61Q98.8Very high98.2Very high108 Ų10876.7 Ų76.751%0.50539%0.391SS..Hα-helixtrans-59.2-44.8177-178.7175.1-10.800111.4G57 A58 L59 I63 I64 E65G57-Q61 PolarHBondContact O-N 2.78Å; A58-Q61 PolarHBondContact O-N 2.88Å; L59-Q61 VanDerWaalsContact C-N 3.34Å; L59-Q61 PolarHBondContact O-N 3.12Å; Q61-I63 VanDerWaalsContact C-N 3.32Å; Q61-I63 PolarHBondContact O-N 2.9Å; Q61-I64 WeakPolarHBondContact O-CB 3.41Å; Q61-I64 PolarHBondContact O-N 3.25Å; Q61-I64 VanDerWaalsContact O-N 3.08Å; Q61-E65 HydrophobicContact CG-CG 4.35Å; Q61-E65 VanDerWaalsContact CG-OE1 3.32Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.45Å; Q61-E65 PolarHBondContact NE2-OE1 3.17Å; Q61-E65 WeakPolarHBondContact O-CG 3.44Å; Q61-E65 PolarHBondContact O-N 2.78Å
62H98.8Very high98.3Very high89 Ų8981.4 Ų81.441%0.41241%0.41SS..Hα-helixtrans-60.7-39.6176.5-173.967.9000112.6A58 L59 V60 I64 E65 N66A58-H62 PolarHBondContact O-N 2.83Å; L59-H62 PolarHBondContact O-N 3.22Å; V60-H62 VanDerWaalsContact C-N 3.33Å; V60-H62 PolarHBondContact O-N 3.22Å; H62-I64 VanDerWaalsContact C-N 3.31Å; H62-I64 PolarHBondContact O-N 2.75Å; H62-E65 PolarHBondContact O-N 3.44Å; H62-N66 PolarHBondContact NE2-ND2 3.05Å; H62-N66 WeakPolarHBondContact O-CB 3.41Å; H62-N66 PolarHBondContact O-N 3.28Å
63I98.7Very high98.4Very high20 Ų2081.2 Ų81.210%0.10341%0.414CS..Hα-helixtrans-63.4-38.5174.9-68.9168.4000111R15 N17 I19 L59 V60 Q61 L69 I74R15-I63 VanDerWaalsContact CZ-O 3.28Å; R15-I63 PolarHBondContact NH1-O 3.31Å; R15-I63 PolarHBondContact NH2-O 3Å; N17-I63 HydrophobicContact CB-CD1 4.44Å; N17-I63 HydrophobicContact CB-CG2 3.93Å; I19-I63 HydrophobicContact CD1-CD1 3.83Å; I19-I63 HydrophobicContact CG1-CD1 3.75Å; L59-I63 HydrophobicContact CD1-CD1 4.49Å; L59-I63 HydrophobicContact CD1-CG1 4.49Å; L59-I63 HydrophobicContact CG-CD1 4.25Å; L59-I63 WeakPolarHBondContact O-CG1 3.44Å; L59-I63 PolarHBondContact O-N 2.93Å; V60-I63 PolarHBondContact O-N 3.47Å; Q61-I63 VanDerWaalsContact C-N 3.32Å; Q61-I63 PolarHBondContact O-N 2.9Å; I63-L69 HydrophobicContact CG1-CD1 4.11Å; I63-I74 HydrophobicContact CD1-CD1 4.04Å; I63-I74 HydrophobicContact CG1-CD1 4.18Å
64I98.7Very high98.5Very high115 Ų11579.7 Ų79.759%0.5940%0.401SS*.Hα-helixtrans-65.4-48.2177.4-69.1166.6000110.5R15 V60 Q61 H62R15-I64 PolarHBondContact NH2-O 2.79Å; V60-I64 HydrophobicContact CG1-CD1 3.98Å; V60-I64 WeakPolarHBondContact O-CG1 3.47Å; V60-I64 PolarHBondContact O-N 3.47Å; Q61-I64 WeakPolarHBondContact O-CB 3.41Å; Q61-I64 PolarHBondContact O-N 3.25Å; Q61-I64 VanDerWaalsContact O-N 3.08Å; H62-I64 VanDerWaalsContact C-N 3.31Å; H62-I64 PolarHBondContact O-N 2.75Å
65E98.8Very high98.5Very high122 Ų12279.4 Ų79.457%0.5739%0.394SS*.Hα-helixtrans-73.3-38.4-175.8-68.6172.117500113Q61 H62 Q67Q61-E65 HydrophobicContact CG-CG 4.35Å; Q61-E65 VanDerWaalsContact CG-OE1 3.32Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.45Å; Q61-E65 PolarHBondContact NE2-OE1 3.17Å; Q61-E65 WeakPolarHBondContact O-CG 3.44Å; Q61-E65 PolarHBondContact O-N 2.78Å; H62-E65 PolarHBondContact O-N 3.44Å; E65-Q67 PolarHBondContact O-N 2.97Å
66N98.4Very high98.5Very high59 Ų5979.7 Ų79.732%0.31640%0.395SS..  trans-85.993.6-179.7-171-15000111R15 H62 Y68 L69R15-N66 PolarHBondContact NH1-O 3.1Å; H62-N66 PolarHBondContact NE2-ND2 3.05Å; H62-N66 WeakPolarHBondContact O-CB 3.41Å; H62-N66 PolarHBondContact O-N 3.28Å; N66-Y68 PolarHBondContact O-N 2.89Å; N66-Y68 VanDerWaalsContact O-N 3.12Å; N66-Y68 PolarHBondContact OD1-N 3.39Å; N66-L69 HydrophobicContact CB-CD1 3.99Å; N66-L69 HydrophobicContact CB-CG 4.25Å; N66-L69 PolarHBondContact O-N 3.45Å
67Q98Very high98.5Very high162 Ų16276.6 Ų76.676%0.75739%0.385SS*.THydrogen-bonded Turntrans-65.3-15.8-174.3-63.4-172-3500114.5R15 E65R15-Q67 VanDerWaalsContact CD-O 3.23Å; R15-Q67 WeakPolarHBondContact CD-O 3.03Å; E65-Q67 PolarHBondContact O-N 2.97Å
68Y98.4Very high98.4Very high219 Ų21976.1 Ų76.186%0.85938%0.38SS*.THydrogen-bonded Turntrans-84.4-10.4179.8-148.9-111.7000113.4N66 N70N66-Y68 PolarHBondContact O-N 2.89Å; N66-Y68 VanDerWaalsContact O-N 3.12Å; N66-Y68 PolarHBondContact OD1-N 3.39Å; Y68-N70 PolarHBondContact O-N 3.11Å
69L98.5Very high98.4Very high41 Ų4176.4 Ų76.422%0.21538%0.382CS..  trans-76.9110.8173-67.5175.7000110.1R15 N17 I63 N66R15-L69 PolarHBondContact NH1-O 3.4Å; N17-L69 PolarHBondContact ND2-O 3.23Å; I63-L69 HydrophobicContact CG1-CD1 4.11Å; N66-L69 HydrophobicContact CB-CD1 3.99Å; N66-L69 HydrophobicContact CB-CG 4.25Å; N66-L69 PolarHBondContact O-N 3.45Å
70N98.7Very high98.3Very high67 Ų6775.4 Ų75.436%0.35838%0.377SS..  trans-152.4138.6175.1-165.920.4000111.1A6 R15 F16 N17 Y68A6-N70 WeakPolarHBondContact CB-OD1 3.28Å; R15-N70 VanDerWaalsContact CA-OD1 3.31Å; R15-N70 WeakPolarHBondContact CA-OD1 3.41Å; R15-N70 HydrophobicContact CB-CB 4.41Å; R15-N70 HydrophobicContact CG-CB 4.27Å; F16-N70 PolarHBondContact N-OD1 2.86Å; F16-N70 PolarHBondContact O-OD1 3.37Å; N17-N70 VanDerWaalsContact OD1-CA 3.31Å; N17-N70 WeakPolarHBondContact OD1-CA 3.32Å; N17-N70 PolarHBondContact OD1-N 2.85Å; Y68-N70 PolarHBondContact O-N 3.11Å
71G98.4Very high98.2Very high15 Ų1580.1 Ų80.116%0.15539%0.389CS..SBendtrans80.88.6175.100000115.7F16 N17F16-G71 WeakPolarHBondContact O-CA 3.48Å; F16-G71 PolarHBondContact O-N 3.34Å; N17-G71 PolarHBondContact OD1-N 2.75Å
72E98.6Very high97.7Very high111 Ų11180.8 Ų80.852%0.51939%0.393SS..  trans-108.4152-171-17253.6-97.300113.6T18 I74T18-E72 PolarHBondContact N-O 3.34Å; E72-I74 HydrophobicContact CG-CG1 4.36Å
73T98.5Very high96.9Very high60 Ų6080.5 Ų80.537%0.36840%0.4SS..EExtended strand (participates in β ladder)trans-107.5111.1167.4-58.40000110.8T18 A20T18-T73 HydrophobicContact CG2-CG2 4.1Å; T18-T73 CarbonylContact O-C 3.55Å; T18-T73 VanDerWaalsContact O-CA 3.27Å; T18-T73 WeakPolarHBondContact O-CA 3.43Å; A20-T73 HydrophobicContact CB-CG2 3.92Å
74I98.4Very high95.7Very high41 Ų4188.1 Ų88.121%0.2147%0.465CS..EExtended strand (participates in β ladder)trans-92.7117.7-179.9-55.3176.4000109.1T18 A20 L59 I63 E72T18-I74 PolarHBondContact O-N 3.27Å; A20-I74 PolarHBondContact N-O 3.24Å; L59-I74 HydrophobicContact CD1-CD1 4.18Å; L59-I74 HydrophobicContact CD1-CG2 4.44Å; L59-I74 HydrophobicContact CD2-CB 4.45Å; L59-I74 HydrophobicContact CD2-CG2 3.98Å; I63-I74 HydrophobicContact CD1-CD1 4.04Å; I63-I74 HydrophobicContact CG1-CD1 4.18Å; E72-I74 HydrophobicContact CG-CG1 4.36Å
75R98.3Very high95.6Very high131 Ų13186.8 Ų86.849%0.49446%0.459SS..EExtended strand (participates in β ladder)trans-72.2129.9168.3-70.3-17168.6131.45.4109.7D77 L80 R81R75-D77 IonicContact CZ-OD2 2.78Å; R75-D77 IonicContact NE-OD2 3.44Å; R75-D77 PolarHBondContact NE-OD2 2.71Å; R75-D77 IonicContact NH2-OD2 3.57Å; R75-D77 PolarHBondContact NH2-OD2 3.23Å; R75-L80 PolarHBondContact NH2-O 3.16Å; R75-R81 VanDerWaalsContact CZ-NH1 3.27Å
76F98Very high95.4Very high55 Ų5584.9 Ų84.924%0.24145%0.453CS..EExtended strand (participates in β ladder)trans-132.677.1-177.2-171.8-110.3000109.8I19 A20 P21 G22 M24 E55 Y56 L59I19-F76 HydrophobicContact CG2-CB 3.89Å; A20-F76 PolarHBondContact O-N 3.49Å; P21-F76 CarbonylContact C-O 3.53Å; P21-F76 WeakPolarHBondContact CA-O 3.34Å; G22-F76 PolarHBondContact N-O 3.34Å; M24-F76 HydrophobicContact CE-CE1 4.28Å; M24-F76 HydrophobicContact SD-CD1 4.49Å; M24-F76 HydrophobicContact SD-CE1 4.47Å; E55-F76 HydrophobicContact CB-CE1 4.08Å; E55-F76 HydrophobicContact CB-CZ 3.69Å; E55-F76 WeakPolarHBondContact O-CZ 3.29Å; Y56-F76 HydrophobicContact CD2-CD1 4.45Å; L59-F76 HydrophobicContact CD2-CB 3.92Å; L59-F76 HydrophobicContact CD2-CD2 3.77Å; L59-F76 HydrophobicContact CD2-CE2 4.47Å; L59-F76 HydrophobicContact CD2-CG 3.85Å
77D97.8Very high95.2Very high23 Ų2386.3 Ų86.312%0.12346%0.461CS..SBendtrans-146.410.4-159.265.89.9000116.1G22 R75 A79 L80 R81G22-D77 VanDerWaalsContact CA-CB 3.5Å; R75-D77 IonicContact CZ-OD2 2.78Å; R75-D77 IonicContact NE-OD2 3.44Å; R75-D77 PolarHBondContact NE-OD2 2.71Å; R75-D77 IonicContact NH2-OD2 3.57Å; R75-D77 PolarHBondContact NH2-OD2 3.23Å; D77-A79 PolarHBondContact O-N 3.43Å; D77-A79 WeakPolarHBondContact OD1-CA 3.36Å; D77-A79 PolarHBondContact OD1-N 3.1Å; D77-L80 HydrophobicContact CB-CB 4.22Å; D77-L80 WeakPolarHBondContact O-CB 3.46Å; D77-L80 PolarHBondContact O-N 3.39Å; D77-L80 VanDerWaalsContact O-N 3.1Å; D77-R81 IonicContact OD2-NH1 3.56Å
78G97.3Very high95Very high24 Ų2481.9 Ų81.925%0.24744%0.443CS..THydrogen-bonded Turntrans61.930.2-179.200000113.9P45 N46 L80P45-G78 VanDerWaalsContact CD-O 3.28Å; P45-G78 WeakPolarHBondContact CD-O 3.32Å; N46-G78 PolarHBondContact N-O 2.84Å; N46-G78 CarbonylContact O-C 3.4Å; N46-G78 VanDerWaalsContact O-CA 3.29Å; N46-G78 WeakPolarHBondContact O-CA 3.42Å; N46-G78 VanDerWaalsContact O-O 3.12Å; G78-L80 VanDerWaalsContact C-N 3.25Å; G78-L80 PolarHBondContact O-N 3.29Å
79A97.5Very high94.8Very high63 Ų6373.3 Ų73.352%0.52142%0.417SS..THydrogen-bonded Turntrans68.215.1-17500000115.2P45 D77P45-A79 HydrophobicContact CB-CB 4.41Å; P45-A79 HydrophobicContact CG-CB 4.29Å; D77-A79 PolarHBondContact O-N 3.43Å; D77-A79 WeakPolarHBondContact OD1-CA 3.36Å; D77-A79 PolarHBondContact OD1-N 3.1Å
80L96.9Very high94.6Very high5 Ų575.5 Ų75.53%0.02643%0.431CS..  trans-58.9138.3178.1177.265.2000112.1L23 L43 I44 R75 D77 G78 M82L23-L80 HydrophobicContact CD1-CD2 3.79Å; L23-L80 HydrophobicContact CG-CD2 3.8Å; L43-L80 HydrophobicContact CB-CD1 3.91Å; L43-L80 VanDerWaalsContact O-CD1 3.25Å; L43-L80 WeakPolarHBondContact O-CD1 3.21Å; I44-L80 HydrophobicContact CG1-CD1 4.46Å; I44-L80 HydrophobicContact CG1-CD2 4.29Å; R75-L80 PolarHBondContact NH2-O 3.16Å; D77-L80 HydrophobicContact CB-CB 4.22Å; D77-L80 WeakPolarHBondContact O-CB 3.46Å; D77-L80 PolarHBondContact O-N 3.39Å; D77-L80 VanDerWaalsContact O-N 3.1Å; G78-L80 VanDerWaalsContact C-N 3.25Å; G78-L80 PolarHBondContact O-N 3.29Å; L80-M82 HydrophobicContact CD1-SD 4.48Å; L80-M82 HydrophobicContact CD2-SD 3.87Å; L80-M82 HydrophobicContact CG-SD 4.36Å
81R96.3Very high94.3Very high152 Ų15276.1 Ų76.157%0.57444%0.436SS*.  trans-125121.2159-64.8-64.6179.3-85.1-0.7106.8R75 D77 P83R75-R81 VanDerWaalsContact CZ-NH1 3.27Å; D77-R81 IonicContact OD2-NH1 3.56Å; R81-P83 WeakPolarHBondContact O-CD 3.49Å
82M89.9Confident94Very high123 Ų12380.8 Ų80.861%0.60646%0.458SS*.  trans-64.1122.1-179.8-69.5-65.6-71.100108.8L80L80-M82 HydrophobicContact CD1-SD 4.48Å; L80-M82 HydrophobicContact CD2-SD 3.87Å; L80-M82 HydrophobicContact CG-SD 4.36Å
83P81.1Confident93.6Very high83 Ų8378.3 Ų78.354%0.53945%0.452SS..  trans-6615217328.5-32.7000109.8L43 R81L43-P83 HydrophobicContact CD1-CG 4.42Å; L43-P83 HydrophobicContact CD2-CG 4.43Å; R81-P83 WeakPolarHBondContact O-CD 3.49Å
84A73.3Confident93.2Very high179 Ų17979.9 Ų79.9100%1.47946%0.46SS*.  trans-700175.900000112.1

Retrieved 84 of 84 residues in 121.7 ms (Link to these results)

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