A0A077Z8H5_TRITR Loading...

ADP ribosylation factor protein

AlphaFold DB , UniProt , Accession A0A077Z8H5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 130 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
1M57.3Low88.5Confident245 Ų24578.8 Ų78.8100%1.20741%0.407SS*.  0124.80-167.9-178.8-73.700108.2
2V85.1Confident89.1Confident131 Ų13186.3 Ų86.379%0.79443%0.425SS*.  trans-83.3141.8-174.2-175.40000110.2M4V2-M4 PolarHBondContact O-N 2.83Å
3R82.7Confident89.5Confident128 Ų12884.4 Ų84.448%0.48343%0.425SS..  trans-74.5115.5178.1-105.3-177.1-73.3167.94.7110.4D9R3-D9 WeakPolarHBondContact CD-OD2 3.48Å; R3-D9 VanDerWaalsContact CG-OD2 3.32Å; R3-D9 WeakPolarHBondContact CG-OD2 3.29Å
4M89.4Confident90Very high185 Ų18578.4 Ų78.491%0.91140%0.395SS*.  trans-96.6-39.7-178.6-65.2-121.9-68.200113.5V2V2-M4 PolarHBondContact O-N 2.83Å
5N91.3Very high90.3Very high37 Ų3773.9 Ų73.920%0.19837%0.373CS..  trans-137.997.7-176.1-171.4-8.5000111.6L7 A8 D9N5-L7 VanDerWaalsContact C-N 3.26Å; N5-L7 PolarHBondContact O-N 3.37Å; N5-L7 PolarHBondContact OD1-N 3.48Å; N5-A8 HydrophobicContact CB-CB 4.03Å; N5-A8 WeakPolarHBondContact O-CB 3.38Å; N5-A8 PolarHBondContact O-N 3.16Å; N5-A8 VanDerWaalsContact O-N 3.09Å; N5-A8 PolarHBondContact OD1-N 3.06Å; N5-D9 PolarHBondContact O-N 3.12Å
6V93.2Very high90.7Very high45 Ų4574.8 Ų74.827%0.27338%0.379SS..Hα-helixtrans-63.3-27.5-178.8-73.70000113.7A10 P29 I34V6-A10 WeakPolarHBondContact O-CB 3.47Å; V6-A10 PolarHBondContact O-N 3.08Å; V6-P29 HydrophobicContact CB-CG 4.03Å; V6-P29 HydrophobicContact CG1-CG 3.32Å; V6-I34 HydrophobicContact CB-CD1 4.22Å; V6-I34 HydrophobicContact CG2-CD1 4.36Å
7L95Very high91Very high3 Ų370.8 Ų70.82%0.01636%0.36CS..Hα-helixtrans-69.7-37.9174.5-176.167.4000111.1N5 D9 A10 L11 V33 I34 F37 V74 L126N5-L7 VanDerWaalsContact C-N 3.26Å; N5-L7 PolarHBondContact O-N 3.37Å; N5-L7 PolarHBondContact OD1-N 3.48Å; L7-D9 VanDerWaalsContact C-N 3.35Å; L7-A10 PolarHBondContact O-N 2.86Å; L7-L11 HydrophobicContact CD1-CG 4.37Å; L7-L11 WeakPolarHBondContact O-CG 3.2Å; L7-L11 PolarHBondContact O-N 2.93Å; L7-V33 HydrophobicContact CD2-CG1 4.21Å; L7-I34 HydrophobicContact CB-CG1 4.39Å; L7-I34 HydrophobicContact CD1-CB 4.41Å; L7-I34 HydrophobicContact CD1-CG1 3.82Å; L7-F37 HydrophobicContact CD1-CB 4.15Å; L7-F37 HydrophobicContact CD1-CD2 4.27Å; L7-F37 HydrophobicContact CD1-CG 4.19Å; L7-F37 HydrophobicContact CD2-CD2 4.18Å; L7-V74 HydrophobicContact CB-CG2 4.14Å; L7-V74 HydrophobicContact CD2-CG2 3.85Å; L7-V74 HydrophobicContact CG-CG2 3.6Å; L7-L126 HydrophobicContact CD2-CB 4.42Å
8A94.8Very high91.2Very high29 Ų2968.1 Ų68.124%0.2435%0.346CS..Hα-helixtrans-65.9-41.1178.900000111.2N5 R12 V74N5-A8 HydrophobicContact CB-CB 4.03Å; N5-A8 WeakPolarHBondContact O-CB 3.38Å; N5-A8 PolarHBondContact O-N 3.16Å; N5-A8 VanDerWaalsContact O-N 3.09Å; N5-A8 PolarHBondContact OD1-N 3.06Å; A8-R12 WeakPolarHBondContact O-CB 2.96Å; A8-R12 PolarHBondContact O-N 3.15Å; A8-V74 HydrophobicContact CB-CB 4.11Å; A8-V74 HydrophobicContact CB-CG1 4.43Å; A8-V74 HydrophobicContact CB-CG2 4.1Å
9D94.1Very high91.3Very high58 Ų5872.2 Ų72.231%0.3136%0.362SS..Hα-helixtrans-63.8-44.4174.9-63.7-24.9000111.2R3 N5 L7 R12 C13R3-D9 WeakPolarHBondContact CD-OD2 3.48Å; R3-D9 VanDerWaalsContact CG-OD2 3.32Å; R3-D9 WeakPolarHBondContact CG-OD2 3.29Å; N5-D9 PolarHBondContact O-N 3.12Å; L7-D9 VanDerWaalsContact C-N 3.35Å; D9-R12 PolarHBondContact O-N 3.34Å; D9-C13 WeakPolarHBondContact O-CB 3.43Å; D9-C13 PolarHBondContact O-N 2.82Å; D9-C13 PolarHBondContact O-SG 2.93Å; D9-C13 VanDerWaalsContact O-SG 3.37Å
10A94.9Very high91.5Very high3 Ų379.1 Ų79.13%0.02538%0.383CS..Hα-helixtrans-60.2-53178.600000112.5V6 L7 R12 C13 I14 I27 I34V6-A10 WeakPolarHBondContact O-CB 3.47Å; V6-A10 PolarHBondContact O-N 3.08Å; L7-A10 PolarHBondContact O-N 2.86Å; A10-R12 VanDerWaalsContact C-N 3.32Å; A10-R12 PolarHBondContact O-N 3.34Å; A10-C13 WeakPolarHBondContact O-CB 3.26Å; A10-C13 PolarHBondContact O-N 3.07Å; A10-I14 WeakPolarHBondContact O-CG1 3.3Å; A10-I14 PolarHBondContact O-N 2.86Å; A10-I27 HydrophobicContact CB-CD1 4.3Å; A10-I27 HydrophobicContact CB-CG2 3.54Å; A10-I34 HydrophobicContact CB-CD1 3.99Å; A10-I34 HydrophobicContact CB-CG1 4.33Å; A10-I34 HydrophobicContact CB-CG2 4.13Å
11L95.8Very high91.6Very high3 Ų378.3 Ų78.32%0.01640%0.396CS..Hα-helixtrans-65.2-36.3179.7-64.8-170.1000111.8L7 C13 I14 S15 F37 M41 C72 V74L7-L11 HydrophobicContact CD1-CG 4.37Å; L7-L11 WeakPolarHBondContact O-CG 3.2Å; L7-L11 PolarHBondContact O-N 2.93Å; L11-C13 PolarHBondContact O-N 3Å; L11-I14 HydrophobicContact CD2-CD1 4.13Å; L11-I14 PolarHBondContact O-N 3.49Å; L11-S15 PolarHBondContact O-N 2.87Å; L11-F37 HydrophobicContact CD1-CD1 4.48Å; L11-F37 HydrophobicContact CD1-CE1 3.84Å; L11-F37 HydrophobicContact CD1-CE2 4.31Å; L11-F37 HydrophobicContact CD1-CZ 3.73Å; L11-F37 HydrophobicContact CD2-CD1 4Å; L11-F37 HydrophobicContact CD2-CE1 3.85Å; L11-M41 HydrophobicContact CD2-SD 4.31Å; L11-C72 HydrophobicContact CD2-CB 4.44Å; L11-C72 PolarHBondContact O-SG 3.36Å; L11-V74 HydrophobicContact CB-CG2 4.48Å; L11-V74 HydrophobicContact CD1-CG2 3.59Å; L11-V74 HydrophobicContact CG-CG2 4.17Å
12R95.2Very high93.4Very high168 Ų16872.7 Ų72.763%0.63437%0.365SS*.Hα-helixtrans-63.5-42.1174.9-176.3175.2-72.2170.6-3.2111.7A8 D9 A10 S15 N16A8-R12 WeakPolarHBondContact O-CB 2.96Å; A8-R12 PolarHBondContact O-N 3.15Å; D9-R12 PolarHBondContact O-N 3.34Å; A10-R12 VanDerWaalsContact C-N 3.32Å; A10-R12 PolarHBondContact O-N 3.34Å; R12-S15 PolarHBondContact O-N 2.96Å; R12-N16 WeakPolarHBondContact O-CB 2.95Å; R12-N16 PolarHBondContact O-N 3.26Å; R12-N16 PolarHBondContact O-ND2 2.9Å
13C95.2Very high93.8Very high62 Ų6277 Ų7742%0.41937%0.367SS..Hα-helixtrans-61.1-43.5174.6-77.10000112D9 A10 L11 N16 A17D9-C13 WeakPolarHBondContact O-CB 3.43Å; D9-C13 PolarHBondContact O-N 2.82Å; D9-C13 PolarHBondContact O-SG 2.93Å; D9-C13 VanDerWaalsContact O-SG 3.37Å; A10-C13 WeakPolarHBondContact O-CB 3.26Å; A10-C13 PolarHBondContact O-N 3.07Å; L11-C13 PolarHBondContact O-N 3Å; C13-N16 PolarHBondContact O-N 3.4Å; C13-A17 VanDerWaalsContact O-CB 3.32Å; C13-A17 WeakPolarHBondContact O-CB 3.39Å; C13-A17 PolarHBondContact O-N 3.48Å
14I96Very high94.5Very high1 Ų176.8 Ų76.81%0.00537%0.371CS..Hα-helixtrans-60.7-53.3176.2-66.7166.9000110.6A10 L11 N16 A17 E18 V25 I27 L38 L65 I69A10-I14 WeakPolarHBondContact O-CG1 3.3Å; A10-I14 PolarHBondContact O-N 2.86Å; L11-I14 HydrophobicContact CD2-CD1 4.13Å; L11-I14 PolarHBondContact O-N 3.49Å; I14-N16 VanDerWaalsContact C-N 3.3Å; I14-N16 PolarHBondContact O-N 3.02Å; I14-A17 PolarHBondContact O-N 3.14Å; I14-A17 VanDerWaalsContact O-N 3.14Å; I14-E18 PolarHBondContact O-N 3.31Å; I14-V25 HydrophobicContact CG1-CG1 3.94Å; I14-I27 HydrophobicContact CD1-CD1 3.77Å; I14-I27 HydrophobicContact CG1-CD1 3.95Å; I14-L38 HydrophobicContact CD1-CD2 3.71Å; I14-L65 HydrophobicContact CG2-CD2 4.03Å; I14-I69 HydrophobicContact CG2-CD1 3.74Å
15S95.2Very high94.8Very high10 Ų1068.7 Ų68.77%0.0733%0.332CS..Hα-helixtrans-60.4-39.5-178.8-176.60000112.4L11 R12 K19L11-S15 PolarHBondContact O-N 2.87Å; R12-S15 PolarHBondContact O-N 2.96Å; S15-K19 WeakPolarHBondContact O-CB 3.3Å; S15-K19 VanDerWaalsContact O-CG 3.29Å; S15-K19 WeakPolarHBondContact O-CG 3.42Å; S15-K19 PolarHBondContact O-N 3.49Å; S15-K19 VanDerWaalsContact O-N 3.08Å
16N96Very high95Very high88 Ų8871.8 Ų71.847%0.47135%0.348SS..Hα-helixtrans-68.8-36177.8-73.5-14.5000112.6R12 C13 I14 R20R12-N16 WeakPolarHBondContact O-CB 2.95Å; R12-N16 PolarHBondContact O-N 3.26Å; R12-N16 PolarHBondContact O-ND2 2.9Å; C13-N16 PolarHBondContact O-N 3.4Å; I14-N16 VanDerWaalsContact C-N 3.3Å; I14-N16 PolarHBondContact O-N 3.02Å; N16-R20 WeakPolarHBondContact O-CG 3.37Å; N16-R20 PolarHBondContact O-N 2.75Å
17A95.7Very high95.1Very high7 Ų769.9 Ų69.96%0.05834%0.336CS..Hα-helixtrans-73.4-39.4178.700000112.6C13 I14 R20 G21 K22 V25 L65C13-A17 VanDerWaalsContact O-CB 3.32Å; C13-A17 WeakPolarHBondContact O-CB 3.39Å; C13-A17 PolarHBondContact O-N 3.48Å; I14-A17 PolarHBondContact O-N 3.14Å; I14-A17 VanDerWaalsContact O-N 3.14Å; A17-R20 CarbonylContact O-C 3.57Å; A17-R20 PolarHBondContact O-N 2.98Å; A17-R20 VanDerWaalsContact O-N 3.12Å; A17-G21 PolarHBondContact O-N 2.87Å; A17-G21 VanDerWaalsContact O-N 3.16Å; A17-K22 HydrophobicContact CB-CB 4.17Å; A17-K22 HydrophobicContact CB-CD 4.23Å; A17-K22 PolarHBondContact O-N 3Å; A17-V25 HydrophobicContact CB-CB 4.32Å; A17-V25 HydrophobicContact CB-CG2 3.09Å; A17-L65 HydrophobicContact CB-CD1 3.84Å
18E94.1Very high95Very high22 Ų2276.3 Ų76.310%0.10336%0.361CS..Hα-helixtrans-60.9-47.3172.9-89.5-70.6-172.700111.6I14 R20 G21 L65 G67 I69I14-E18 PolarHBondContact O-N 3.31Å; E18-R20 PolarHBondContact O-N 2.8Å; E18-G21 PolarHBondContact O-N 2.9Å; E18-L65 HydrophobicContact CG-CB 4.43Å; E18-L65 HydrophobicContact CG-CD1 3.98Å; E18-L65 HydrophobicContact CG-CD2 3.97Å; E18-L65 HydrophobicContact CG-CG 4.33Å; E18-L65 WeakPolarHBondContact OE1-CB 3.29Å; E18-G67 WeakPolarHBondContact OE1-CA 3.46Å; E18-G67 PolarHBondContact OE1-N 3.06Å; E18-G67 VanDerWaalsContact OE2-CA 3.3Å; E18-G67 WeakPolarHBondContact OE2-CA 3.17Å; E18-I69 HydrophobicContact CG-CB 4.11Å; E18-I69 HydrophobicContact CG-CD1 4.31Å
19K94.1Very high94.9Very high147 Ų14775.9 Ų75.964%0.63936%0.355SS*.Hα-helixtrans-59.8-23174-74.1176.7-178.6-178.60114.2S15S15-K19 WeakPolarHBondContact O-CB 3.3Å; S15-K19 VanDerWaalsContact O-CG 3.29Å; S15-K19 WeakPolarHBondContact O-CG 3.42Å; S15-K19 PolarHBondContact O-N 3.49Å; S15-K19 VanDerWaalsContact O-N 3.08Å
20R94.9Very high94.8Very high209 Ų20975.9 Ų75.979%0.78935%0.353SS*.THydrogen-bonded Turntrans-91.1-3.3176-70.6-75.9-170.7-1441.4112.7N16 A17 E18 K22N16-R20 WeakPolarHBondContact O-CG 3.37Å; N16-R20 PolarHBondContact O-N 2.75Å; A17-R20 CarbonylContact O-C 3.57Å; A17-R20 PolarHBondContact O-N 2.98Å; A17-R20 VanDerWaalsContact O-N 3.12Å; E18-R20 PolarHBondContact O-N 2.8Å; R20-K22 VanDerWaalsContact C-N 3.32Å; R20-K22 HydrophobicContact CB-CG 4.26Å; R20-K22 PolarHBondContact O-N 3.02Å
21G93Very high94.7Very high64 Ų6477.4 Ų77.466%0.6636%0.364SS*.THydrogen-bonded Turntrans68.726.3-176.600000113.8A17 E18A17-G21 PolarHBondContact O-N 2.87Å; A17-G21 VanDerWaalsContact O-N 3.16Å; E18-G21 PolarHBondContact O-N 2.9Å
22K95.1Very high94.6Very high127 Ų12785.5 Ų85.555%0.55240%0.399SS*.  trans-74.3138.5176.5-68.8-171.6174.7-173.90110.1A17 R20 L65A17-K22 HydrophobicContact CB-CB 4.17Å; A17-K22 HydrophobicContact CB-CD 4.23Å; A17-K22 PolarHBondContact O-N 3Å; R20-K22 VanDerWaalsContact C-N 3.32Å; R20-K22 HydrophobicContact CB-CG 4.26Å; R20-K22 PolarHBondContact O-N 3.02Å; K22-L65 WeakPolarHBondContact O-CD1 3.37Å
23R94.8Very high94.6Very high222 Ų22279.5 Ų79.584%0.83838%0.381SS*.SBendtrans-74.8-24.3177.6-64.2-173.8178.8-167.1-0.9114.2L65R23-L65 PolarHBondContact O-N 3.24Å
24Q95.8Very high94.6Very high123 Ų12376.7 Ų76.758%0.57536%0.361SS*.EExtended strand (participates in β ladder)trans-144151-176.562.6-177.13.200111.6V63Q24-V63 CarbonylContact C-O 3.51Å; Q24-V63 VanDerWaalsContact CA-O 3.28Å; Q24-V63 WeakPolarHBondContact CA-O 3.45Å
25V96.6Very high94.6Very high14 Ų1477.9 Ų77.99%0.08537%0.369CS..EExtended strand (participates in β ladder)trans-127138.2175.2126.50000111.4I14 A17 I27 V62 V63 L65I14-V25 HydrophobicContact CG1-CG1 3.94Å; A17-V25 HydrophobicContact CB-CB 4.32Å; A17-V25 HydrophobicContact CB-CG2 3.09Å; V25-I27 HydrophobicContact CG1-CD1 4Å; V25-I27 HydrophobicContact CG1-CG1 3.5Å; V25-I27 VanDerWaalsContact CG1-CG1 3.5Å; V25-V62 CarbonylContact O-C 3.52Å; V25-V62 WeakPolarHBondContact O-CA 3.32Å; V25-V63 HydrophobicContact CG1-CB 4.39Å; V25-V63 PolarHBondContact N-O 3.49Å; V25-V63 PolarHBondContact O-N 2.9Å; V25-L65 HydrophobicContact CB-CD1 4.23Å; V25-L65 HydrophobicContact CG2-CD1 4.32Å
26L95.7Very high94.6Very high103 Ų10382 Ų8254%0.53939%0.387SS..EExtended strand (participates in β ladder)trans-99.7122.2169.7-175.672.4000109.5K60 I61 V62L26-K60 HydrophobicContact CD1-CB 3.93Å; L26-K60 HydrophobicContact CD1-CD 4.21Å; L26-K60 HydrophobicContact CD2-CD 4.49Å; L26-I61 CarbonylContact C-O 3.6Å; L26-I61 WeakPolarHBondContact CA-O 3.41Å; L26-V62 HydrophobicContact CD1-CG2 3.86Å
27I95.3Very high94.6Very high4 Ų477.8 Ų77.82%0.02137%0.365CS..EExtended strand (participates in β ladder)trans-107.6131.9177.8-56.4173.4000109.2A10 I14 V25 L38 K60 I61 V63A10-I27 HydrophobicContact CB-CD1 4.3Å; A10-I27 HydrophobicContact CB-CG2 3.54Å; I14-I27 HydrophobicContact CD1-CD1 3.77Å; I14-I27 HydrophobicContact CG1-CD1 3.95Å; V25-I27 HydrophobicContact CG1-CD1 4Å; V25-I27 HydrophobicContact CG1-CG1 3.5Å; V25-I27 VanDerWaalsContact CG1-CG1 3.5Å; I27-L38 HydrophobicContact CD1-CD1 4.27Å; I27-K60 WeakPolarHBondContact O-CA 3.33Å; I27-I61 HydrophobicContact CB-CB 4.26Å; I27-I61 PolarHBondContact N-O 2.99Å; I27-I61 PolarHBondContact O-N 3.35Å; I27-V63 HydrophobicContact CD1-CG2 3.68Å; I27-V63 HydrophobicContact CG1-CG2 4.48Å
28R91.9Very high94.6Very high139 Ų13977.6 Ų77.653%0.52536%0.362SS..SBendtrans-141.7124.4175.1160172.8150.688-3.3108.8
29P94.1Very high94.7Very high19 Ų1978.3 Ų78.312%0.12337%0.368CS..SBendcis-92.51647.435.1-22.6000112.3V6 A58V6-P29 HydrophobicContact CB-CG 4.03Å; V6-P29 HydrophobicContact CG1-CG 3.32Å; P29-A58 HydrophobicContact CB-CB 3.81Å
30Q92.3Very high94.8Very high58 Ų5871.6 Ų71.627%0.27134%0.34SS..  trans-77.7146.4169.2177.1-86-24.300110.6V35 I52 A58 G59 I61Q30-V35 HydrophobicContact CG-CG2 4.05Å; Q30-I52 HydrophobicContact CG-CG2 4.27Å; Q30-A58 WeakPolarHBondContact CA-O 3.5Å; Q30-A58 VanDerWaalsContact CB-O 3.25Å; Q30-A58 WeakPolarHBondContact CB-O 3.47Å; Q30-A58 PolarHBondContact N-O 2.95Å; Q30-G59 PolarHBondContact N-O 3.23Å; Q30-I61 HydrophobicContact CB-CD1 4.2Å; Q30-I61 HydrophobicContact CB-CG1 3.93Å; Q30-I61 HydrophobicContact CG-CD1 3.85Å; Q30-I61 HydrophobicContact CG-CG1 3.78Å
31S93Very high94.8Very high36 Ų3661.7 Ų61.725%0.25230%0.302SS..  trans-148.5148.9172.6177.10000109.4V33 I34 V35S31-V33 PolarHBondContact O-N 3.25Å; S31-I34 WeakPolarHBondContact O-CB 3.45Å; S31-I34 PolarHBondContact O-N 2.98Å; S31-V35 PolarHBondContact O-N 2.82Å
32K93.5Very high94.9Very high173 Ų17362.4 Ų62.475%0.75229%0.289SS*.Hα-helixtrans-55-37.8177.4-66.5-176.3179.8-179.40112.6I34 V35 Q36K32-I34 VanDerWaalsContact C-N 3.35Å; K32-V35 PolarHBondContact O-N 3.32Å; K32-Q36 PolarHBondContact O-N 3.32Å
33V94.9Very high94.9Very high42 Ų4264.6 Ų64.626%0.25529%0.294SS..Hα-helixtrans-65.3-39.7177.6179.80000111.1L7 S31 F37 I110 L126L7-V33 HydrophobicContact CD2-CG1 4.21Å; S31-V33 PolarHBondContact O-N 3.25Å; V33-F37 VanDerWaalsContact O-CB 3.3Å; V33-F37 WeakPolarHBondContact O-CB 3.43Å; V33-F37 PolarHBondContact O-N 3.49Å; V33-I110 HydrophobicContact CB-CD1 4.42Å; V33-I110 HydrophobicContact CG1-CD1 3.93Å; V33-L126 HydrophobicContact CG1-CD1 4.31Å; V33-L126 HydrophobicContact CG1-CD2 4.33Å
34I95.3Very high94.9Very high2 Ų256.8 Ų56.81%0.0127%0.267CS..Hα-helixtrans-66.5-45.8177.6-61.5169000109.6V6 L7 A10 S31 K32 Q36 F37 L38 I61V6-I34 HydrophobicContact CB-CD1 4.22Å; V6-I34 HydrophobicContact CG2-CD1 4.36Å; L7-I34 HydrophobicContact CB-CG1 4.39Å; L7-I34 HydrophobicContact CD1-CB 4.41Å; L7-I34 HydrophobicContact CD1-CG1 3.82Å; A10-I34 HydrophobicContact CB-CD1 3.99Å; A10-I34 HydrophobicContact CB-CG1 4.33Å; A10-I34 HydrophobicContact CB-CG2 4.13Å; S31-I34 WeakPolarHBondContact O-CB 3.45Å; S31-I34 PolarHBondContact O-N 2.98Å; K32-I34 VanDerWaalsContact C-N 3.35Å; I34-Q36 PolarHBondContact O-N 3.36Å; I34-F37 PolarHBondContact O-N 3.38Å; I34-L38 HydrophobicContact CG2-CD1 3.88Å; I34-L38 HydrophobicContact CG2-CG 4.26Å; I34-L38 WeakPolarHBondContact O-CB 3.32Å; I34-L38 VanDerWaalsContact O-CG 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.33Å; I34-L38 PolarHBondContact O-N 3.36Å; I34-I61 HydrophobicContact CB-CD1 4.4Å; I34-I61 HydrophobicContact CG2-CD1 3.73Å
35V95.4Very high94.8Very high26 Ų2652 Ų5216%0.15825%0.251CS..Hα-helixtrans-58.5-49.3178.2175.30000110.6Q30 S31 K32 F37 L38 T39 F50 I52 I61Q30-V35 HydrophobicContact CG-CG2 4.05Å; S31-V35 PolarHBondContact O-N 2.82Å; K32-V35 PolarHBondContact O-N 3.32Å; V35-F37 PolarHBondContact O-N 3.26Å; V35-L38 PolarHBondContact O-N 3.06Å; V35-T39 PolarHBondContact O-N 2.95Å; V35-T39 PolarHBondContact O-OG1 3.05Å; V35-F50 HydrophobicContact CG1-CE2 4.05Å; V35-F50 HydrophobicContact CG1-CZ 4.17Å; V35-I52 HydrophobicContact CG1-CD1 4.14Å; V35-I52 HydrophobicContact CG2-CD1 3.91Å; V35-I61 HydrophobicContact CG2-CD1 3.97Å
36Q95.5Very high94.7Very high96 Ų9652.1 Ų52.145%0.44925%0.25SS..Hα-helixtrans-63.7-39.5177.9-75-169.4-13.500112.8K32 I34 T39 V40 I110K32-Q36 PolarHBondContact O-N 3.32Å; I34-Q36 PolarHBondContact O-N 3.36Å; Q36-T39 WeakPolarHBondContact O-CB 3.39Å; Q36-T39 PolarHBondContact O-N 3.45Å; Q36-V40 WeakPolarHBondContact O-CG2 3.32Å; Q36-V40 PolarHBondContact O-N 2.99Å; Q36-I110 HydrophobicContact CB-CB 4.19Å; Q36-I110 HydrophobicContact CB-CD1 3.92Å; Q36-I110 HydrophobicContact CB-CG2 4.49Å; Q36-I110 VanDerWaalsContact OE1-CD1 3.26Å; Q36-I110 VanDerWaalsContact OE1-CG1 3.3Å
37F95.9Very high94.6Very high1 Ų147.5 Ų47.50%0.00423%0.226CC..Hα-helixtrans-62.7-43.9175.7-162.2-72.5000111.5L7 L11 V33 I34 V35 T39 V40 M41 V103 L126 F129L7-F37 HydrophobicContact CD1-CB 4.15Å; L7-F37 HydrophobicContact CD1-CD2 4.27Å; L7-F37 HydrophobicContact CD1-CG 4.19Å; L7-F37 HydrophobicContact CD2-CD2 4.18Å; L11-F37 HydrophobicContact CD1-CD1 4.48Å; L11-F37 HydrophobicContact CD1-CE1 3.84Å; L11-F37 HydrophobicContact CD1-CE2 4.31Å; L11-F37 HydrophobicContact CD1-CZ 3.73Å; L11-F37 HydrophobicContact CD2-CD1 4Å; L11-F37 HydrophobicContact CD2-CE1 3.85Å; V33-F37 VanDerWaalsContact O-CB 3.3Å; V33-F37 WeakPolarHBondContact O-CB 3.43Å; V33-F37 PolarHBondContact O-N 3.49Å; I34-F37 PolarHBondContact O-N 3.38Å; V35-F37 PolarHBondContact O-N 3.26Å; F37-T39 VanDerWaalsContact C-N 3.35Å; F37-V40 PolarHBondContact O-N 3.39Å; F37-M41 HydrophobicContact CD1-CG 4.01Å; F37-M41 HydrophobicContact CD1-SD 3.78Å; F37-M41 HydrophobicContact CE1-CG 3.99Å; F37-M41 HydrophobicContact CE1-SD 3.68Å; F37-M41 WeakPolarHBondContact O-CG 3.31Å; F37-M41 PolarHBondContact O-N 3.02Å; F37-V103 HydrophobicContact CD2-CB 3.93Å; F37-V103 HydrophobicContact CD2-CG1 3.73Å; F37-V103 HydrophobicContact CD2-CG2 4.08Å; F37-V103 HydrophobicContact CE1-CG2 4.13Å; F37-V103 HydrophobicContact CE2-CB 3.45Å; F37-V103 VanDerWaalsContact CE2-CB 3.45Å; F37-V103 HydrophobicContact CE2-CG1 3.81Å; F37-V103 HydrophobicContact CE2-CG2 3.56Å; F37-V103 HydrophobicContact CZ-CB 3.98Å; F37-V103 HydrophobicContact CZ-CG2 3.57Å; F37-L126 HydrophobicContact CD2-CB 4.34Å; F37-L126 HydrophobicContact CE2-CB 4.16Å; F37-F129 AromaticContact CE1-CD1 3.88Å; F37-F129 HydrophobicContact CE1-CD1 3.88Å; F37-F129 HydrophobicContact CE1-CE1 4.49Å; F37-F129 HydrophobicContact CZ-CD1 4.14Å
38L95.9Very high94.6Very high2 Ų248.5 Ų48.51%0.0124%0.237CC..Hα-helixtrans-63.7-40175-69.2173.4000111.4I14 I27 I34 V35 V40 M41 M42 I47 F50 I61 V63I14-L38 HydrophobicContact CD1-CD2 3.71Å; I27-L38 HydrophobicContact CD1-CD1 4.27Å; I34-L38 HydrophobicContact CG2-CD1 3.88Å; I34-L38 HydrophobicContact CG2-CG 4.26Å; I34-L38 WeakPolarHBondContact O-CB 3.32Å; I34-L38 VanDerWaalsContact O-CG 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.33Å; I34-L38 PolarHBondContact O-N 3.36Å; V35-L38 PolarHBondContact O-N 3.06Å; L38-V40 VanDerWaalsContact C-N 3.29Å; L38-V40 PolarHBondContact O-N 3.22Å; L38-M41 HydrophobicContact CD2-SD 4.41Å; L38-M41 PolarHBondContact O-N 3.42Å; L38-M41 VanDerWaalsContact O-N 3.15Å; L38-M42 WeakPolarHBondContact O-CB 3.3Å; L38-M42 PolarHBondContact O-N 3.5Å; L38-I47 HydrophobicContact CB-CD1 3.91Å; L38-I47 HydrophobicContact CD2-CD1 3.78Å; L38-I47 HydrophobicContact CG-CD1 4.43Å; L38-I47 VanDerWaalsContact O-CD1 3.26Å; L38-I47 WeakPolarHBondContact O-CD1 3.39Å; L38-F50 HydrophobicContact CB-CD1 4.18Å; L38-F50 HydrophobicContact CB-CE1 4.1Å; L38-F50 HydrophobicContact CB-CZ 4.46Å; L38-I61 HydrophobicContact CD1-CD1 3.99Å; L38-I61 HydrophobicContact CD1-CG2 3.95Å; L38-V63 HydrophobicContact CD1-CG2 3.84Å; L38-V63 HydrophobicContact CD2-CG2 4.24Å
39T95.8Very high94.8Very high37 Ų3748.8 Ų48.823%0.22725%0.245CC..Hα-helixtrans-58-41.3173.8-550000111.9V35 Q36 F37 M42 R43V35-T39 PolarHBondContact O-N 2.95Å; V35-T39 PolarHBondContact O-OG1 3.05Å; Q36-T39 WeakPolarHBondContact O-CB 3.39Å; Q36-T39 PolarHBondContact O-N 3.45Å; F37-T39 VanDerWaalsContact C-N 3.35Å; T39-M42 PolarHBondContact O-N 3.03Å; T39-R43 WeakPolarHBondContact O-CG 3.28Å; T39-R43 PolarHBondContact O-N 2.95Å
40V95.6Very high94.8Very high7 Ų749.7 Ų49.74%0.04225%0.247CC..Hα-helixtrans-64-46.3174.81760000110.6Q36 F37 L38 M42 R43 H44 V103 I110 D112 F129Q36-V40 WeakPolarHBondContact O-CG2 3.32Å; Q36-V40 PolarHBondContact O-N 2.99Å; F37-V40 PolarHBondContact O-N 3.39Å; L38-V40 VanDerWaalsContact C-N 3.29Å; L38-V40 PolarHBondContact O-N 3.22Å; V40-M42 VanDerWaalsContact C-N 3.27Å; V40-M42 PolarHBondContact O-N 3.24Å; V40-R43 PolarHBondContact O-N 3.37Å; V40-H44 PolarHBondContact O-CD2 3.21Å; V40-H44 VanDerWaalsContact O-CD2 3.23Å; V40-H44 PolarHBondContact O-N 2.75Å; V40-V103 HydrophobicContact CG1-CG2 4.25Å; V40-I110 HydrophobicContact CG2-CG2 4.43Å; V40-D112 HydrophobicContact CG1-CB 4.36Å; V40-F129 HydrophobicContact CG1-CE1 4.08Å; V40-F129 HydrophobicContact CG1-CZ 4.09Å
41M95.7Very high95Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-59.6-37.7176.1-68.9-177.775.200112.7L11 F37 L38 H44 G45 Y46 I47 I69 C72 F129L11-M41 HydrophobicContact CD2-SD 4.31Å; F37-M41 HydrophobicContact CD1-CG 4.01Å; F37-M41 HydrophobicContact CD1-SD 3.78Å; F37-M41 HydrophobicContact CE1-CG 3.99Å; F37-M41 HydrophobicContact CE1-SD 3.68Å; F37-M41 WeakPolarHBondContact O-CG 3.31Å; F37-M41 PolarHBondContact O-N 3.02Å; L38-M41 HydrophobicContact CD2-SD 4.41Å; L38-M41 PolarHBondContact O-N 3.42Å; L38-M41 VanDerWaalsContact O-N 3.15Å; M41-H44 PolarHBondContact O-N 3.42Å; M41-G45 PolarHBondContact O-N 3.3Å; M41-Y46 PolarHBondContact O-N 2.89Å; M41-I47 HydrophobicContact CB-CD1 3.99Å; M41-I47 HydrophobicContact CB-CG1 3.93Å; M41-I47 HydrophobicContact CB-CG2 4.4Å; M41-I47 HydrophobicContact CE-CG2 4.08Å; M41-I69 HydrophobicContact CE-CD1 3.55Å; M41-I69 HydrophobicContact CE-CG1 4.05Å; M41-C72 HydrophobicContact CE-CB 4.28Å; M41-F129 HydrophobicContact CE-CB 3.93Å; M41-F129 HydrophobicContact CE-CD2 4.49Å; M41-F129 HydrophobicContact CE-CG 4.15Å; M41-F129 HydrophobicContact CG-CD1 3.64Å; M41-F129 HydrophobicContact CG-CD2 4.18Å; M41-F129 HydrophobicContact CG-CE1 3.73Å; M41-F129 HydrophobicContact CG-CE2 4.27Å; M41-F129 HydrophobicContact CG-CG 3.87Å; M41-F129 HydrophobicContact CG-CZ 4.06Å; M41-F129 HydrophobicContact SD-CB 4.5Å; M41-F129 HydrophobicContact SD-CD1 4.41Å; M41-F129 HydrophobicContact SD-CG 4.44Å
42M95.5Very high95.1Very high79 Ų7955.8 Ų55.839%0.38927%0.273SS..Hα-helixtrans-68.1-43178.3-170.3-176.677.600111.3L38 T39 V40 H44 G45 I47 F50L38-M42 WeakPolarHBondContact O-CB 3.3Å; L38-M42 PolarHBondContact O-N 3.5Å; T39-M42 PolarHBondContact O-N 3.03Å; V40-M42 VanDerWaalsContact C-N 3.27Å; V40-M42 PolarHBondContact O-N 3.24Å; M42-H44 VanDerWaalsContact C-N 3.27Å; M42-H44 PolarHBondContact O-N 2.66Å; M42-G45 PolarHBondContact O-N 3.25Å; M42-I47 HydrophobicContact CB-CD1 4.14Å; M42-I47 HydrophobicContact CB-CG1 3.82Å; M42-I47 HydrophobicContact CG-CG1 4.48Å; M42-F50 HydrophobicContact SD-CD1 4.17Å; M42-F50 HydrophobicContact SD-CE1 4.07Å
43R94.9Very high95.1Very high173 Ų17350.7 Ų50.765%0.65326%0.256SS*.Hα-helixtrans-58.7-37.6176.2-76.5-179.2-169.41763.2112.7T39 V40 G45T39-R43 WeakPolarHBondContact O-CG 3.28Å; T39-R43 PolarHBondContact O-N 2.95Å; V40-R43 PolarHBondContact O-N 3.37Å; R43-G45 VanDerWaalsContact C-N 3.29Å
44H94.2Very high94.9Very high58 Ų5854.1 Ų54.127%0.26927%0.274SS..THydrogen-bonded Turntrans-83.6-0.6175.8-67.8-75.1000113.6V40 M41 M42 Y46 Y101 D112 F129V40-H44 PolarHBondContact O-CD2 3.21Å; V40-H44 VanDerWaalsContact O-CD2 3.23Å; V40-H44 PolarHBondContact O-N 2.75Å; M41-H44 PolarHBondContact O-N 3.42Å; M42-H44 VanDerWaalsContact C-N 3.27Å; M42-H44 PolarHBondContact O-N 2.66Å; H44-Y46 HydrophobicContact CB-CD2 3.8Å; H44-Y46 HydrophobicContact CB-CE2 4.03Å; H44-Y101 HydrophobicContact CB-CD2 4.17Å; H44-Y101 HydrophobicContact CB-CE2 3.88Å; H44-Y101 AromaticContact CE1-CD1 3.64Å; H44-Y101 AromaticContact CE1-CE1 3.31Å; H44-Y101 WeakPolarHBondContact CE1-CE1 3.21Å; H44-Y101 AromaticContact CE1-CE2 3.89Å; H44-Y101 AromaticContact CE1-CZ 3.43Å; H44-Y101 VanDerWaalsContact CE1-CZ 3.43Å; H44-Y101 AromaticContact CG-CD2 3.83Å; H44-Y101 AromaticContact CG-CE2 3.59Å; H44-Y101 AromaticContact CG-CZ 3.9Å; H44-Y101 AromaticContact ND1-CD2 3.9Å; H44-Y101 AromaticContact ND1-CE1 3.56Å; H44-Y101 AromaticContact ND1-CE2 3.32Å; H44-Y101 VanDerWaalsContact ND1-CE2 3.32Å; H44-Y101 WeakPolarHBondContact ND1-CE2 3.37Å; H44-Y101 AromaticContact ND1-CZ 3.13Å; H44-Y101 PolarHBondContact ND1-OH 3.08Å; H44-Y101 AromaticContact NE2-CD1 3.9Å; H44-D112 IonicContact NE2-OD1 2.63Å; H44-F129 HydrophobicContact CB-CE2 4.23Å; H44-F129 HydrophobicContact CB-CZ 4.49Å; H44-F129 AromaticContact CD2-CZ 3.86Å
45G93.6Very high94.7Very high24 Ų2455.9 Ų55.925%0.24728%0.283CS..THydrogen-bonded Turntrans75.521.5175.500000115.5M41 M42 R43 N66 R68M41-G45 PolarHBondContact O-N 3.3Å; M42-G45 PolarHBondContact O-N 3.25Å; R43-G45 VanDerWaalsContact C-N 3.29Å; G45-N66 PolarHBondContact O-ND2 2.89Å; G45-R68 WeakPolarHBondContact O-CD 3.48Å
46Y94Very high94.4Very high16 Ų1663 Ų636%0.06331%0.314CS..SBendtrans-84.2-23.6175.5-78.7-93.4000113.4M41 H44 N66 I69 F99 Y101 F129M41-Y46 PolarHBondContact O-N 2.89Å; H44-Y46 HydrophobicContact CB-CD2 3.8Å; H44-Y46 HydrophobicContact CB-CE2 4.03Å; Y46-N66 PolarHBondContact O-OD1 3.38Å; Y46-I69 HydrophobicContact CD1-CG1 4.17Å; Y46-I69 WeakPolarHBondContact O-CG1 3.36Å; Y46-F99 HydrophobicContact CE1-CE2 4.23Å; Y46-F99 HydrophobicContact CE1-CZ 4.05Å; Y46-F99 VanDerWaalsContact OH-CE2 3.26Å; Y46-F99 WeakPolarHBondContact OH-CE2 3.21Å; Y46-Y101 AromaticContact CE2-CD2 3.85Å; Y46-Y101 HydrophobicContact CE2-CD2 3.85Å; Y46-Y101 AromaticContact CE2-CE2 3.86Å; Y46-Y101 HydrophobicContact CE2-CE2 3.86Å; Y46-F129 HydrophobicContact CD1-CD2 4.24Å; Y46-F129 AromaticContact CD2-CD2 3.66Å; Y46-F129 HydrophobicContact CD2-CD2 3.66Å; Y46-F129 AromaticContact CD2-CE2 3.43Å; Y46-F129 HydrophobicContact CD2-CE2 3.43Å; Y46-F129 VanDerWaalsContact CD2-CE2 3.43Å; Y46-F129 HydrophobicContact CE1-CD2 4.41Å; Y46-F129 AromaticContact CE2-CD2 3.86Å; Y46-F129 HydrophobicContact CE2-CD2 3.86Å; Y46-F129 AromaticContact CE2-CE2 3.63Å; Y46-F129 HydrophobicContact CE2-CE2 3.63Å; Y46-F129 AromaticContact CG-CD2 3.84Å; Y46-F129 HydrophobicContact CG-CD2 3.84Å; Y46-F129 HydrophobicContact CG-CE2 4.06Å
47I95.1Very high94.1Very high5 Ų568.6 Ų68.63%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-125.6157.3172.860.3173.2000109.3L38 M41 M42 F50 V63 I69L38-I47 HydrophobicContact CB-CD1 3.91Å; L38-I47 HydrophobicContact CD2-CD1 3.78Å; L38-I47 HydrophobicContact CG-CD1 4.43Å; L38-I47 VanDerWaalsContact O-CD1 3.26Å; L38-I47 WeakPolarHBondContact O-CD1 3.39Å; M41-I47 HydrophobicContact CB-CD1 3.99Å; M41-I47 HydrophobicContact CB-CG1 3.93Å; M41-I47 HydrophobicContact CB-CG2 4.4Å; M41-I47 HydrophobicContact CE-CG2 4.08Å; M42-I47 HydrophobicContact CB-CD1 4.14Å; M42-I47 HydrophobicContact CB-CG1 3.82Å; M42-I47 HydrophobicContact CG-CG1 4.48Å; I47-F50 HydrophobicContact CD1-CD1 4.32Å; I47-V63 HydrophobicContact CB-CG1 4.18Å; I47-V63 HydrophobicContact CD1-CG1 4.14Å; I47-V63 HydrophobicContact CG2-CG1 4.17Å; I47-I69 HydrophobicContact CG2-CD1 3.6Å
48G94.6Very high93.6Very high25 Ų2570.6 Ų70.626%0.25835%0.348SS..EExtended strand (participates in β ladder)trans-79.4-158.7166.500000111.6N64G48-N64 PolarHBondContact N-O 2.84Å
49E95.3Very high93.4Very high145 Ų14570.7 Ų70.768%0.67835%0.35SS*.EExtended strand (participates in β ladder)trans-63.2149.7174.3-65.2178.2173.900111.4N64E49-N64 VanDerWaalsContact O-CB 3.3Å; E49-N64 WeakPolarHBondContact O-CB 3.38Å; E49-N64 PolarHBondContact O-N 3.24Å; E49-N64 PolarHBondContact O-ND2 3.44Å
50F95.8Very high93.4Very high39 Ų3972.3 Ų72.317%0.17135%0.353CS..EExtended strand (participates in β ladder)trans-130.1143.2172.768.1-91.3000110.1V35 L38 M42 I47 I52 I61 V62 V63V35-F50 HydrophobicContact CG1-CE2 4.05Å; V35-F50 HydrophobicContact CG1-CZ 4.17Å; L38-F50 HydrophobicContact CB-CD1 4.18Å; L38-F50 HydrophobicContact CB-CE1 4.1Å; L38-F50 HydrophobicContact CB-CZ 4.46Å; M42-F50 HydrophobicContact SD-CD1 4.17Å; M42-F50 HydrophobicContact SD-CE1 4.07Å; I47-F50 HydrophobicContact CD1-CD1 4.32Å; F50-I52 HydrophobicContact CD2-CG1 4.41Å; F50-I52 HydrophobicContact CE2-CD1 4.41Å; F50-I52 HydrophobicContact CE2-CG1 4.28Å; F50-I61 HydrophobicContact CB-CG2 4.07Å; F50-I61 HydrophobicContact CD2-CG2 3.88Å; F50-I61 HydrophobicContact CG-CG2 4.35Å; F50-V62 CarbonylContact C-O 3.48Å; F50-V62 WeakPolarHBondContact CA-O 3.47Å; F50-V62 WeakPolarHBondContact CB-O 3.21Å; F50-V63 HydrophobicContact CB-CB 4.39Å; F50-V63 HydrophobicContact CB-CG1 4.47Å; F50-V63 HydrophobicContact CB-CG2 4.02Å
51E95.8Very high93.4Very high127 Ų12772 Ų7259%0.59335%0.351SS*.EExtended strand (participates in β ladder)trans-113.3139179.8-67.6-177.4171.400110.2I61 V62E51-I61 CarbonylContact O-C 3.58Å; E51-I61 VanDerWaalsContact O-CA 3.31Å; E51-I61 WeakPolarHBondContact O-CA 3.47Å; E51-V62 PolarHBondContact N-O 3.03Å; E51-V62 PolarHBondContact O-N 3.15Å
52I95.1Very high93.4Very high94 Ų9473.5 Ų73.548%0.48236%0.361SS..EExtended strand (participates in β ladder)trans-98.8116.2175.1-53.7176.9000107.5Q30 V35 F50Q30-I52 HydrophobicContact CG-CG2 4.27Å; V35-I52 HydrophobicContact CG1-CD1 4.14Å; V35-I52 HydrophobicContact CG2-CD1 3.91Å; F50-I52 HydrophobicContact CD2-CG1 4.41Å; F50-I52 HydrophobicContact CE2-CD1 4.41Å; F50-I52 HydrophobicContact CE2-CG1 4.28Å
53V93.5Very high93.4Very high66 Ų6669.8 Ų69.840%0.434%0.342SS..EExtended strand (participates in β ladder)trans-100.4119177-177.60000108.5G59 K60 V62V53-G59 CarbonylContact O-C 3.56Å; V53-G59 WeakPolarHBondContact O-CA 3.4Å; V53-K60 HydrophobicContact CB-CB 4.4Å; V53-K60 PolarHBondContact N-O 3.18Å; V53-K60 PolarHBondContact O-N 3.44Å; V53-V62 HydrophobicContact CG2-CG2 4.22Å
54D90.8Very high93.5Very high115 Ų11564.5 Ų64.562%0.61533%0.327SS*.PPolyproline II helixtrans-82.3123.5176.4-166.4-0.4000110.9H56D54-H56 PolarHBondContact OD1-N 2.85Å
55D90.7Very high93.6Very high38 Ų3862.7 Ų62.720%0.20332%0.319CS..  trans-10914175.972.4-13000112.7R57 A58 G59D55-R57 PolarHBondContact O-N 2.99Å; D55-R57 WeakPolarHBondContact OD1-CA 3.41Å; D55-R57 WeakPolarHBondContact OD1-CB 3.3Å; D55-R57 PolarHBondContact OD1-N 2.8Å; D55-A58 PolarHBondContact OD1-N 3.13Å; D55-G59 WeakPolarHBondContact OD1-CA 3.49Å; D55-G59 PolarHBondContact OD1-N 3.32Å
56H89.9Confident93.5Very high176 Ų17664.8 Ų64.882%0.81533%0.325SS*.SBendtrans54.319.9-172.5-64.269.5000113.3D54D54-H56 PolarHBondContact OD1-N 2.85Å
57R88.4Confident93.4Very high213 Ų21366.7 Ų66.780%0.80435%0.349SS*.SBendtrans-125-87.9177.6-62.2172.8178.1-177.1-2.1110.3D55D55-R57 PolarHBondContact O-N 2.99Å; D55-R57 WeakPolarHBondContact OD1-CA 3.41Å; D55-R57 WeakPolarHBondContact OD1-CB 3.3Å; D55-R57 PolarHBondContact OD1-N 2.8Å
58A85.3Confident93.3Very high43 Ų4374.3 Ų74.336%0.35538%0.378SS..SBendtrans-129.17.7-174.900000112P29 Q30 D55P29-A58 HydrophobicContact CB-CB 3.81Å; Q30-A58 WeakPolarHBondContact CA-O 3.5Å; Q30-A58 VanDerWaalsContact CB-O 3.25Å; Q30-A58 WeakPolarHBondContact CB-O 3.47Å; Q30-A58 PolarHBondContact N-O 2.95Å; D55-A58 PolarHBondContact OD1-N 3.13Å
59G91.4Very high93.3Very high5 Ų573.6 Ų73.65%0.05237%0.368CS..  trans65.4165.3-178.300000113.7Q30 V53 D55Q30-G59 PolarHBondContact N-O 3.23Å; V53-G59 CarbonylContact O-C 3.56Å; V53-G59 WeakPolarHBondContact O-CA 3.4Å; D55-G59 WeakPolarHBondContact OD1-CA 3.49Å; D55-G59 PolarHBondContact OD1-N 3.32Å
60K95.3Very high93.2Very high70 Ų7071.4 Ų71.430%0.30436%0.361SS..EExtended strand (participates in β ladder)trans-130.7153.7169.9-58.3174.2-170.8166.10108.4L26 I27 V53L26-K60 HydrophobicContact CD1-CB 3.93Å; L26-K60 HydrophobicContact CD1-CD 4.21Å; L26-K60 HydrophobicContact CD2-CD 4.49Å; I27-K60 WeakPolarHBondContact O-CA 3.33Å; V53-K60 HydrophobicContact CB-CB 4.4Å; V53-K60 PolarHBondContact N-O 3.18Å; V53-K60 PolarHBondContact O-N 3.44Å
61I96.2Very high93.2Very high0 Ų074.1 Ų74.10%037%0.372CS..EExtended strand (participates in β ladder)trans-120.4127.1173.5-52.1169000107.8L26 I27 Q30 I34 V35 L38 F50 E51 V63L26-I61 CarbonylContact C-O 3.6Å; L26-I61 WeakPolarHBondContact CA-O 3.41Å; I27-I61 HydrophobicContact CB-CB 4.26Å; I27-I61 PolarHBondContact N-O 2.99Å; I27-I61 PolarHBondContact O-N 3.35Å; Q30-I61 HydrophobicContact CB-CD1 4.2Å; Q30-I61 HydrophobicContact CB-CG1 3.93Å; Q30-I61 HydrophobicContact CG-CD1 3.85Å; Q30-I61 HydrophobicContact CG-CG1 3.78Å; I34-I61 HydrophobicContact CB-CD1 4.4Å; I34-I61 HydrophobicContact CG2-CD1 3.73Å; V35-I61 HydrophobicContact CG2-CD1 3.97Å; L38-I61 HydrophobicContact CD1-CD1 3.99Å; L38-I61 HydrophobicContact CD1-CG2 3.95Å; F50-I61 HydrophobicContact CB-CG2 4.07Å; F50-I61 HydrophobicContact CD2-CG2 3.88Å; F50-I61 HydrophobicContact CG-CG2 4.35Å; E51-I61 CarbonylContact O-C 3.58Å; E51-I61 VanDerWaalsContact O-CA 3.31Å; E51-I61 WeakPolarHBondContact O-CA 3.47Å; I61-V63 HydrophobicContact CG2-CG2 3.75Å
62V96.2Very high93.1Very high33 Ų3368.4 Ų68.420%0.235%0.347CS..EExtended strand (participates in β ladder)trans-97.4119.5167.8-176.80000107V25 L26 F50 E51 V53V25-V62 CarbonylContact O-C 3.52Å; V25-V62 WeakPolarHBondContact O-CA 3.32Å; L26-V62 HydrophobicContact CD1-CG2 3.86Å; F50-V62 CarbonylContact C-O 3.48Å; F50-V62 WeakPolarHBondContact CA-O 3.47Å; F50-V62 WeakPolarHBondContact CB-O 3.21Å; E51-V62 PolarHBondContact N-O 3.03Å; E51-V62 PolarHBondContact O-N 3.15Å; V53-V62 HydrophobicContact CG2-CG2 4.22Å
63V96.3Very high93.1Very high0 Ų064.6 Ų64.60%033%0.33CS..EExtended strand (participates in β ladder)trans-111.3126-179.7-1770000109Q24 V25 I27 L38 I47 F50 I61 L65Q24-V63 CarbonylContact C-O 3.51Å; Q24-V63 VanDerWaalsContact CA-O 3.28Å; Q24-V63 WeakPolarHBondContact CA-O 3.45Å; V25-V63 HydrophobicContact CG1-CB 4.39Å; V25-V63 PolarHBondContact N-O 3.49Å; V25-V63 PolarHBondContact O-N 2.9Å; I27-V63 HydrophobicContact CD1-CG2 3.68Å; I27-V63 HydrophobicContact CG1-CG2 4.48Å; L38-V63 HydrophobicContact CD1-CG2 3.84Å; L38-V63 HydrophobicContact CD2-CG2 4.24Å; I47-V63 HydrophobicContact CB-CG1 4.18Å; I47-V63 HydrophobicContact CD1-CG1 4.14Å; I47-V63 HydrophobicContact CG2-CG1 4.17Å; F50-V63 HydrophobicContact CB-CB 4.39Å; F50-V63 HydrophobicContact CB-CG1 4.47Å; F50-V63 HydrophobicContact CB-CG2 4.02Å; I61-V63 HydrophobicContact CG2-CG2 3.75Å; V63-L65 HydrophobicContact CG1-CD2 4.26Å
64N96.1Very high93.3Very high62 Ų6262.9 Ų62.933%0.33232%0.32SS..EExtended strand (participates in β ladder)trans-82.9127.1171.4-66.5-33.8000110.3G48 E49G48-N64 PolarHBondContact N-O 2.84Å; E49-N64 VanDerWaalsContact O-CB 3.3Å; E49-N64 WeakPolarHBondContact O-CB 3.38Å; E49-N64 PolarHBondContact O-N 3.24Å; E49-N64 PolarHBondContact O-ND2 3.44Å
65L95.7Very high93.5Very high21 Ų2158.5 Ų58.511%0.1130%0.296CS..EExtended strand (participates in β ladder)trans-100.9138.2-175.8-65.1177.2000109.6I14 A17 E18 K22 R23 V25 V63 I69I14-L65 HydrophobicContact CG2-CD2 4.03Å; A17-L65 HydrophobicContact CB-CD1 3.84Å; E18-L65 HydrophobicContact CG-CB 4.43Å; E18-L65 HydrophobicContact CG-CD1 3.98Å; E18-L65 HydrophobicContact CG-CD2 3.97Å; E18-L65 HydrophobicContact CG-CG 4.33Å; E18-L65 WeakPolarHBondContact OE1-CB 3.29Å; K22-L65 WeakPolarHBondContact O-CD1 3.37Å; R23-L65 PolarHBondContact O-N 3.24Å; V25-L65 HydrophobicContact CB-CD1 4.23Å; V25-L65 HydrophobicContact CG2-CD1 4.32Å; V63-L65 HydrophobicContact CG1-CD2 4.26Å; L65-I69 HydrophobicContact CD2-CD1 4.49Å
66N92.5Very high93.5Very high67 Ų6761.3 Ų61.336%0.35832%0.319SS..  trans-113.40.7-175.367.16.7000113.3G45 Y46 R68G45-N66 PolarHBondContact O-ND2 2.89Å; Y46-N66 PolarHBondContact O-OD1 3.38Å; N66-R68 WeakPolarHBondContact OD1-CB 3.3Å; N66-R68 PolarHBondContact OD1-N 3.3Å
67G92.1Very high93.7Very high56 Ų5656.9 Ų56.958%0.57731%0.306SS*.SBendtrans83.98.2178.600000114.9E18E18-G67 WeakPolarHBondContact OE1-CA 3.46Å; E18-G67 PolarHBondContact OE1-N 3.06Å; E18-G67 VanDerWaalsContact OE2-CA 3.3Å; E18-G67 WeakPolarHBondContact OE2-CA 3.17Å
68R93.1Very high94Very high165 Ų16551.8 Ų51.862%0.62329%0.286SS*.  trans-95.9-12.3-175.1-66.1-174.3171.6-175.7-2.8114.8G45 N66 N70G45-R68 WeakPolarHBondContact O-CD 3.48Å; N66-R68 WeakPolarHBondContact OD1-CB 3.3Å; N66-R68 PolarHBondContact OD1-N 3.3Å; R68-N70 PolarHBondContact O-N 3.49Å
69I94.9Very high94.4Very high11 Ų1154 Ų546%0.05629%0.289CS..  trans-83.5117.1-179.1-60.9164.5000109.3I14 E18 M41 Y46 I47 L65 C72I14-I69 HydrophobicContact CG2-CD1 3.74Å; E18-I69 HydrophobicContact CG-CB 4.11Å; E18-I69 HydrophobicContact CG-CD1 4.31Å; M41-I69 HydrophobicContact CE-CD1 3.55Å; M41-I69 HydrophobicContact CE-CG1 4.05Å; Y46-I69 HydrophobicContact CD1-CG1 4.17Å; Y46-I69 WeakPolarHBondContact O-CG1 3.36Å; I47-I69 HydrophobicContact CG2-CD1 3.6Å; L65-I69 HydrophobicContact CD2-CD1 4.49Å; I69-C72 HydrophobicContact CG2-CB 4.13Å
70N92.6Very high94.6Very high99 Ų9959 Ų5953%0.52931%0.314SS..SBendtrans-81.4-46.9169.7-62.6-57.7000110.8R68 F99 F130R68-N70 PolarHBondContact O-N 3.49Å; N70-F99 WeakPolarHBondContact ND2-CE1 3.46Å; N70-F99 WeakPolarHBondContact ND2-CZ 3.44Å; N70-F130 CarbonylContact C-O 3.47Å; N70-F130 WeakPolarHBondContact CA-O 3.26Å; N70-F130 HydrophobicContact CB-CD2 4.14Å; N70-F130 WeakPolarHBondContact CB-OXT 3.5Å; N70-F130 PolarHBondContact N-O 3Å; N70-F130 PolarHBondContact N-OXT 3.34Å; N70-F130 PolarHBondContact ND2-OXT 3.32Å
71K94.3Very high94.5Very high95 Ų9556 Ų5641%0.41330%0.301SS..  trans-155.5125.7-178.6-166175.7-177.8-177.30111.1Y128 F129 F130K71-Y128 HydrophobicContact CD-CE2 4.24Å; K71-Y128 WeakPolarHBondContact CE-OH 3.39Å; K71-Y128 HydrophobicContact CG-CE2 4.24Å; K71-F129 WeakPolarHBondContact O-CA 3.46Å; K71-F130 CarbonylContact C-O 3.53Å; K71-F130 HydrophobicContact CB-CD2 4.19Å; K71-F130 HydrophobicContact CB-CE1 4.46Å; K71-F130 HydrophobicContact CB-CE2 3.65Å; K71-F130 HydrophobicContact CB-CZ 3.82Å; K71-F130 HydrophobicContact CD-CE2 4.42Å; K71-F130 HydrophobicContact CD-CZ 3.95Å; K71-F130 HydrophobicContact CG-CZ 4.37Å; K71-F130 PolarHBondContact N-O 3.18Å; K71-F130 PolarHBondContact O-N 3.23Å
72C95.4Very high94.3Very high8 Ų860.7 Ų60.75%0.05432%0.323CS..EExtended strand (participates in β ladder)trans-119.1142.3165.959.50000109.9L11 M41 I69 Y128 F129L11-C72 HydrophobicContact CD2-CB 4.44Å; L11-C72 PolarHBondContact O-SG 3.36Å; M41-C72 HydrophobicContact CE-CB 4.28Å; I69-C72 HydrophobicContact CG2-CB 4.13Å; C72-Y128 WeakPolarHBondContact CA-O 3.28Å; C72-F129 HydrophobicContact CB-CB 4.03Å
73G95.2Very high94Very high13 Ų1362.2 Ų62.213%0.13433%0.329CS..EExtended strand (participates in β ladder)trans-160.3152.8-174.300000113.2G127 Y128G73-G127 CarbonylContact O-C 3.6Å; G73-G127 WeakPolarHBondContact O-CA 3.15Å; G73-Y128 PolarHBondContact N-O 3.05Å; G73-Y128 PolarHBondContact O-N 3.28Å
74V96Very high93.8Very high31 Ų3171.5 Ų71.519%0.18836%0.364CS..EExtended strand (participates in β ladder)trans-95.1141.1174.5173.30000109.4L7 A8 L11 L126L7-V74 HydrophobicContact CB-CG2 4.14Å; L7-V74 HydrophobicContact CD2-CG2 3.85Å; L7-V74 HydrophobicContact CG-CG2 3.6Å; A8-V74 HydrophobicContact CB-CB 4.11Å; A8-V74 HydrophobicContact CB-CG1 4.43Å; A8-V74 HydrophobicContact CB-CG2 4.1Å; L11-V74 HydrophobicContact CB-CG2 4.48Å; L11-V74 HydrophobicContact CD1-CG2 3.59Å; L11-V74 HydrophobicContact CG-CG2 4.17Å; V74-L126 WeakPolarHBondContact CG1-O 3.31Å
75I94.9Very high93.6Very high22 Ų2271.3 Ų71.311%0.11336%0.364CS..  trans-90.4126.3168.8-60.9-72.5000108.1F79 L93 I125 L126 Y128I75-F79 HydrophobicContact CG2-CD2 3.89Å; I75-F79 HydrophobicContact CG2-CE2 4.15Å; I75-L93 HydrophobicContact CD1-CD1 3.8Å; I75-L93 HydrophobicContact CD1-CD2 3.58Å; I75-L93 HydrophobicContact CD1-CG 4.37Å; I75-L93 HydrophobicContact CG1-CD1 4.07Å; I75-I125 HydrophobicContact CB-CD1 4.43Å; I75-I125 HydrophobicContact CB-CG1 4.24Å; I75-I125 HydrophobicContact CB-CG2 3.94Å; I75-I125 HydrophobicContact CG1-CD1 3.86Å; I75-I125 HydrophobicContact CG1-CG1 4.05Å; I75-I125 HydrophobicContact CG2-CG2 3.63Å; I75-L126 PolarHBondContact N-O 2.87Å; I75-L126 VanDerWaalsContact N-O 3.09Å; I75-Y128 HydrophobicContact CD1-CD1 3.89Å; I75-Y128 HydrophobicContact CD1-CE1 3.87Å; I75-Y128 HydrophobicContact CG1-CD1 4.1Å; I75-Y128 HydrophobicContact CG1-CE1 4.45Å
76S91.3Very high93.4Very high97 Ų9770.5 Ų70.568%0.67836%0.359SS*.SBendtrans-133.5127178.4-167.30000109.4
77P94.4Very high93.3Very high83 Ų8371.3 Ų71.354%0.53936%0.361SS..SBendcis-69.5167.3-2.830.4-35.5000113.4F79P77-F79 HydrophobicContact CG-CD1 4.43Å; P77-F79 HydrophobicContact CG-CE1 3.77Å; P77-F79 HydrophobicContact CG-CE2 4.05Å; P77-F79 HydrophobicContact CG-CZ 3.56Å; P77-F79 WeakPolarHBondContact O-CD2 3.42Å; P77-F79 WeakPolarHBondContact O-CE2 3.5Å; P77-F79 PolarHBondContact O-N 3.16Å; P77-F79 VanDerWaalsContact O-N 3.07Å
78R94.1Very high93.4Very high106 Ų10675.9 Ų75.940%0.437%0.365SS..  trans-78.190.2176.7-64.2-177.8-177168.31.5109.9K124 I125R78-K124 HydrophobicContact CB-CB 4.44Å; R78-I125 WeakPolarHBondContact CB-O 3.38Å; R78-I125 WeakPolarHBondContact CG-O 3.39Å
79F94.8Very high93.4Very high91 Ų9170.3 Ų70.340%0.39934%0.344SS..  trans-66143.3178.2-61.2-75.7000112.2I75 P77 W89 K124 I125I75-F79 HydrophobicContact CG2-CD2 3.89Å; I75-F79 HydrophobicContact CG2-CE2 4.15Å; P77-F79 HydrophobicContact CG-CD1 4.43Å; P77-F79 HydrophobicContact CG-CE1 3.77Å; P77-F79 HydrophobicContact CG-CE2 4.05Å; P77-F79 HydrophobicContact CG-CZ 3.56Å; P77-F79 WeakPolarHBondContact O-CD2 3.42Å; P77-F79 WeakPolarHBondContact O-CE2 3.5Å; P77-F79 PolarHBondContact O-N 3.16Å; P77-F79 VanDerWaalsContact O-N 3.07Å; F79-W89 HydrophobicContact CB-CH2 4.21Å; F79-W89 HydrophobicContact CB-CZ2 3.94Å; F79-W89 AromaticContact CD2-CH2 3.49Å; F79-W89 HydrophobicContact CD2-CH2 3.49Å; F79-W89 VanDerWaalsContact CD2-CH2 3.49Å; F79-W89 HydrophobicContact CD2-CZ2 4.07Å; F79-W89 HydrophobicContact CD2-CZ3 4.39Å; F79-W89 HydrophobicContact CE2-CH2 4.05Å; F79-W89 AromaticContact CG-CH2 3.96Å; F79-W89 HydrophobicContact CG-CH2 3.96Å; F79-W89 HydrophobicContact CG-CZ2 4.06Å; F79-K124 CarbonylContact O-C 3.6Å; F79-K124 VanDerWaalsContact O-CA 3.28Å; F79-K124 WeakPolarHBondContact O-CA 3.08Å; F79-I125 HydrophobicContact CB-CG2 4.07Å; F79-I125 HydrophobicContact CD2-CG2 4.38Å; F79-I125 PolarHBondContact O-N 3.23Å
80D94.9Very high93.3Very high110 Ų11070.5 Ų70.559%0.58835%0.345SS*.EExtended strand (participates in β ladder)trans-73.4132.7167.3-67-70000109.9K124D80-K124 WeakPolarHBondContact OD1-CE 3.44Å; D80-K124 WeakPolarHBondContact OD1-CG 3.15Å; D80-K124 IonicContact OD1-NZ 2.69Å; D80-K124 PolarHBondContact OD1-NZ 3.42Å; D80-K124 IonicContact OD2-NZ 2.77Å; D80-K124 PolarHBondContact OD2-NZ 3.09Å
81I93.1Very high93.3Very high6 Ų673.7 Ų73.73%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-123.6118.9-178.7-61.5-172.9000108.3D85 M86 W89 L104 G122 G123 I125I81-D85 HydrophobicContact CG2-CB 4.43Å; I81-M86 HydrophobicContact CG2-CG 3.73Å; I81-W89 HydrophobicContact CD1-CB 4.18Å; I81-W89 VanDerWaalsContact CD1-CD1 3.46Å; I81-W89 HydrophobicContact CD1-CD2 3.84Å; I81-W89 HydrophobicContact CD1-CG 3.58Å; I81-W89 HydrophobicContact CG1-CG 4.34Å; I81-L104 HydrophobicContact CD1-CD2 3.88Å; I81-G122 WeakPolarHBondContact O-CA 3.41Å; I81-G123 PolarHBondContact N-O 3.12Å; I81-G123 PolarHBondContact O-N 3.4Å; I81-I125 HydrophobicContact CD1-CB 3.63Å; I81-I125 HydrophobicContact CD1-CD1 3.78Å; I81-I125 HydrophobicContact CD1-CG1 4.16Å; I81-I125 HydrophobicContact CD1-CG2 4.31Å; I81-I125 HydrophobicContact CG1-CB 4.38Å
82Q92.4Very high93.3Very high99 Ų9976.9 Ų76.946%0.46337%0.371SS..  trans-82.9158.9167.5-62.3-176.1-3100110.1R84 D85 M86Q82-R84 HydrophobicContact CB-CG 4.05Å; Q82-R84 PolarHBondContact O-N 2.91Å; Q82-D85 PolarHBondContact O-N 2.98Å; Q82-M86 PolarHBondContact O-N 3.09Å
83I90.4Very high93.2Very high65 Ų6577.9 Ų77.933%0.33338%0.376SS..G310 helixtrans-56.3-40.6-177.3-61.3161.1000111.4D85 M86 H120I83-D85 PolarHBondContact O-N 3.49Å; I83-M86 HydrophobicContact CB-CE 4.15Å; I83-M86 HydrophobicContact CG1-CE 3.94Å; I83-M86 HydrophobicContact CG2-CE 4.22Å; I83-M86 PolarHBondContact O-N 3.35Å; I83-H120 HydrophobicContact CD1-CB 4.37Å; I83-H120 WeakPolarHBondContact CD1-O 3.41Å
84R91.5Very high93.1Very high194 Ų19478 Ų7873%0.73237%0.373SS*.G310 helixtrans-62.3-27.8176.661.5179.5177.4179.20.3114.2Q82Q82-R84 HydrophobicContact CB-CG 4.05Å; Q82-R84 PolarHBondContact O-N 2.91Å
85D92Very high93Very high59 Ų5980.4 Ų80.432%0.31639%0.389SS..G310 helixtrans-90.8-9.2-176.7-60.8-43.5000112.4I81 Q82 I83 E87 K88 W89I81-D85 HydrophobicContact CG2-CB 4.43Å; Q82-D85 PolarHBondContact O-N 2.98Å; I83-D85 PolarHBondContact O-N 3.49Å; D85-E87 VanDerWaalsContact C-N 3.28Å; D85-E87 PolarHBondContact O-N 3.06Å; D85-K88 WeakPolarHBondContact O-CB 3.38Å; D85-K88 PolarHBondContact O-N 3.19Å; D85-W89 VanDerWaalsContact O-CD1 3.24Å; D85-W89 PolarHBondContact O-N 3.36Å
86M91Very high92.9Very high3 Ų381.9 Ų81.92%0.01540%0.402CS..Hα-helixtrans-58.1-40.4-178.6-78.4-163.2-123.100112.3I81 Q82 I83 K88 W89 T90 L104 H113 A116 R117 V121I81-M86 HydrophobicContact CG2-CG 3.73Å; Q82-M86 PolarHBondContact O-N 3.09Å; I83-M86 HydrophobicContact CB-CE 4.15Å; I83-M86 HydrophobicContact CG1-CE 3.94Å; I83-M86 HydrophobicContact CG2-CE 4.22Å; I83-M86 PolarHBondContact O-N 3.35Å; M86-K88 VanDerWaalsContact C-N 3.3Å; M86-K88 PolarHBondContact O-N 3.3Å; M86-W89 PolarHBondContact O-N 3.3Å; M86-W89 VanDerWaalsContact O-N 3.16Å; M86-T90 PolarHBondContact O-N 2.92Å; M86-T90 PolarHBondContact O-OG1 3.01Å; M86-L104 HydrophobicContact SD-CD1 3.9Å; M86-H113 HydrophobicContact SD-CB 4.36Å; M86-A116 HydrophobicContact CE-CB 3.95Å; M86-A116 HydrophobicContact SD-CB 4.19Å; M86-R117 HydrophobicContact CE-CG 4.03Å; M86-R117 HydrophobicContact SD-CG 3.73Å; M86-V121 VanDerWaalsContact CE-O 3.29Å; M86-V121 WeakPolarHBondContact CE-O 3.5Å
87E91.3Very high92.8Very high84 Ų8487.2 Ų87.239%0.39341%0.407SS..Hα-helixtrans-56.7-45.3179-158.389.3-165.600111.2D85 W89 T90 E91 R97 R117D85-E87 VanDerWaalsContact C-N 3.28Å; D85-E87 PolarHBondContact O-N 3.06Å; E87-W89 VanDerWaalsContact C-N 3.33Å; E87-W89 PolarHBondContact O-N 2.85Å; E87-T90 VanDerWaalsContact C-OG1 3.28Å; E87-T90 VanDerWaalsContact CA-OG1 3.29Å; E87-T90 WeakPolarHBondContact CA-OG1 3.3Å; E87-T90 PolarHBondContact O-N 3.45Å; E87-T90 PolarHBondContact O-OG1 3.07Å; E87-E91 PolarHBondContact O-N 2.89Å; E87-R97 IonicContact OE1-CZ 3.25Å; E87-R97 VanDerWaalsContact OE1-CZ 3.25Å; E87-R97 IonicContact OE1-NH1 2.8Å; E87-R97 PolarHBondContact OE1-NH1 3Å; E87-R97 IonicContact OE1-NH2 3.83Å; E87-R97 PolarHBondContact OE1-NH2 3.27Å; E87-R117 IonicContact OE2-NH1 3.97Å; E87-R117 PolarHBondContact OE2-NH1 3.36Å; E87-R117 VanDerWaalsContact OE2-NH1 3.13Å
88K93.7Very high92.6Very high153 Ų15392.4 Ų92.467%0.66542%0.424SS*.Hα-helixtrans-64.7-37.5179.6-173.7177.9-177.51760112.1D85 M86 K92D85-K88 WeakPolarHBondContact O-CB 3.38Å; D85-K88 PolarHBondContact O-N 3.19Å; M86-K88 VanDerWaalsContact C-N 3.3Å; M86-K88 PolarHBondContact O-N 3.3Å; K88-K92 WeakPolarHBondContact O-CB 3.45Å; K88-K92 PolarHBondContact O-N 2.86Å
89W93.6Very high92.5Very high47 Ų4791 Ų9118%0.17842%0.421CS..Hα-helixtrans-72.8-36.9176.2-76.1102.2000112.3F79 I81 D85 M86 E87 K92 L93 I102 I125F79-W89 HydrophobicContact CB-CH2 4.21Å; F79-W89 HydrophobicContact CB-CZ2 3.94Å; F79-W89 AromaticContact CD2-CH2 3.49Å; F79-W89 HydrophobicContact CD2-CH2 3.49Å; F79-W89 VanDerWaalsContact CD2-CH2 3.49Å; F79-W89 HydrophobicContact CD2-CZ2 4.07Å; F79-W89 HydrophobicContact CD2-CZ3 4.39Å; F79-W89 HydrophobicContact CE2-CH2 4.05Å; F79-W89 AromaticContact CG-CH2 3.96Å; F79-W89 HydrophobicContact CG-CH2 3.96Å; F79-W89 HydrophobicContact CG-CZ2 4.06Å; I81-W89 HydrophobicContact CD1-CB 4.18Å; I81-W89 VanDerWaalsContact CD1-CD1 3.46Å; I81-W89 HydrophobicContact CD1-CD2 3.84Å; I81-W89 HydrophobicContact CD1-CG 3.58Å; I81-W89 HydrophobicContact CG1-CG 4.34Å; D85-W89 VanDerWaalsContact O-CD1 3.24Å; D85-W89 PolarHBondContact O-N 3.36Å; M86-W89 PolarHBondContact O-N 3.3Å; M86-W89 VanDerWaalsContact O-N 3.16Å; E87-W89 VanDerWaalsContact C-N 3.33Å; E87-W89 PolarHBondContact O-N 2.85Å; W89-K92 PolarHBondContact O-N 2.87Å; W89-L93 HydrophobicContact CE3-CD1 3.86Å; W89-L93 HydrophobicContact CE3-CG 4.3Å; W89-L93 HydrophobicContact CZ3-CD1 4.45Å; W89-L93 WeakPolarHBondContact O-CB 3.39Å; W89-L93 WeakPolarHBondContact O-CG 3.45Å; W89-L93 PolarHBondContact O-N 3.25Å; W89-I102 HydrophobicContact CB-CD1 4.18Å; W89-I102 WeakPolarHBondContact O-CD1 3.33Å; W89-I125 HydrophobicContact CD2-CD1 4.49Å; W89-I125 HydrophobicContact CE3-CD1 4.09Å
90T92.6Very high92.5Very high15 Ų1587 Ų879%0.09241%0.405CS..Hα-helixtrans-61.8-45.9175.145.50000112.2M86 E87 K92 L93 L94 I102 H113M86-T90 PolarHBondContact O-N 2.92Å; M86-T90 PolarHBondContact O-OG1 3.01Å; E87-T90 VanDerWaalsContact C-OG1 3.28Å; E87-T90 VanDerWaalsContact CA-OG1 3.29Å; E87-T90 WeakPolarHBondContact CA-OG1 3.3Å; E87-T90 PolarHBondContact O-N 3.45Å; E87-T90 PolarHBondContact O-OG1 3.07Å; T90-K92 VanDerWaalsContact C-N 3.3Å; T90-K92 PolarHBondContact O-N 3.29Å; T90-L93 PolarHBondContact O-N 2.94Å; T90-L94 HydrophobicContact CG2-CD1 4.05Å; T90-L94 VanDerWaalsContact O-CB 3.3Å; T90-L94 WeakPolarHBondContact O-CB 3.29Å; T90-L94 PolarHBondContact O-N 3.45Å; T90-I102 HydrophobicContact CG2-CD1 3.89Å; T90-H113 WeakPolarHBondContact CG2-CD2 3.44Å; T90-H113 WeakPolarHBondContact CG2-NE2 3.34Å
91E93.5Very high92.5Very high166 Ų16684.5 Ų84.578%0.77639%0.388SS*.Hα-helixtrans-63.8-36.7178.3-173.2179.1-172.300112.3E87E87-E91 PolarHBondContact O-N 2.89Å
92K93Very high92.6Very high163 Ų16384.3 Ų84.371%0.70939%0.387SS*.Hα-helixtrans-75-33.4-178.3-172.7173-178.4177.40113.8K88 W89 T90K88-K92 WeakPolarHBondContact O-CB 3.45Å; K88-K92 PolarHBondContact O-N 2.86Å; W89-K92 PolarHBondContact O-N 2.87Å; T90-K92 VanDerWaalsContact C-N 3.3Å; T90-K92 PolarHBondContact O-N 3.29Å
93L93.5Very high92.8Very high28 Ų2879.6 Ų79.615%0.14737%0.365CS..Hα-helixtrans-106.4-32.9-169.2-65.4179.7000114.1I75 W89 T90 I102 I125 Y128 F130I75-L93 HydrophobicContact CD1-CD1 3.8Å; I75-L93 HydrophobicContact CD1-CD2 3.58Å; I75-L93 HydrophobicContact CD1-CG 4.37Å; I75-L93 HydrophobicContact CG1-CD1 4.07Å; W89-L93 HydrophobicContact CE3-CD1 3.86Å; W89-L93 HydrophobicContact CE3-CG 4.3Å; W89-L93 HydrophobicContact CZ3-CD1 4.45Å; W89-L93 WeakPolarHBondContact O-CB 3.39Å; W89-L93 WeakPolarHBondContact O-CG 3.45Å; W89-L93 PolarHBondContact O-N 3.25Å; T90-L93 PolarHBondContact O-N 2.94Å; L93-I102 HydrophobicContact CB-CD1 4.17Å; L93-I102 HydrophobicContact CB-CG1 4.45Å; L93-I102 HydrophobicContact CD1-CD1 3.98Å; L93-I102 HydrophobicContact CD1-CG1 4.31Å; L93-I125 HydrophobicContact CD1-CD1 3.51Å; L93-Y128 HydrophobicContact CD1-CD1 4.41Å; L93-Y128 HydrophobicContact CD2-CD1 4.32Å; L93-Y128 HydrophobicContact CD2-CE1 4.39Å; L93-F130 WeakPolarHBondContact O-CE1 3.38Å
94L94Very high93.1Very high17 Ų1776.6 Ų76.69%0.08935%0.35CS..  trans-93.1141.9-175.8-57.3-178.9000110.4T90 S96 I102 F130T90-L94 HydrophobicContact CG2-CD1 4.05Å; T90-L94 VanDerWaalsContact O-CB 3.3Å; T90-L94 WeakPolarHBondContact O-CB 3.29Å; T90-L94 PolarHBondContact O-N 3.45Å; L94-S96 VanDerWaalsContact C-N 3.26Å; L94-S96 PolarHBondContact O-N 3.46Å; L94-I102 HydrophobicContact CD1-CG1 4.36Å; L94-I102 HydrophobicContact CD2-CG1 4.03Å; L94-I102 HydrophobicContact CG-CD1 4.36Å; L94-I102 HydrophobicContact CG-CG1 4.14Å; L94-F130 HydrophobicContact CD2-CD1 4.42Å
95P93.9Very high93.3Very high80 Ų8069.5 Ų69.552%0.51933%0.328SS..SBendtrans-69.9-24.7179.929.2-36.5000112.7F99 F130P95-F99 HydrophobicContact CG-CD1 3.79Å; P95-F130 HydrophobicContact CG-CB 4.36Å; P95-F130 HydrophobicContact CG-CD1 4.44Å; P95-F130 HydrophobicContact CG-CD2 3.88Å; P95-F130 HydrophobicContact CG-CE2 4.21Å; P95-F130 HydrophobicContact CG-CG 4.01Å
96S92.5Very high93.4Very high54 Ų5467.3 Ų67.338%0.37832%0.317SS..BIsolated β-bridgetrans-153.4165.8174.977.10000111L94 Q98 F99L94-S96 VanDerWaalsContact C-N 3.26Å; L94-S96 PolarHBondContact O-N 3.46Å; S96-Q98 PolarHBondContact O-N 3.38Å; S96-Q98 PolarHBondContact OG-N 2.83Å; S96-F99 VanDerWaalsContact OG-CB 3.3Å; S96-F99 WeakPolarHBondContact OG-CB 3.45Å; S96-F99 PolarHBondContact OG-N 2.85Å; S96-F99 VanDerWaalsContact OG-N 3.15Å
97R89.4Confident93.4Very high208 Ų20873.1 Ų73.179%0.78536%0.357SS*.THydrogen-bonded Turntrans-68.7-18.2174.8-64-179.570.592.41.4113.5E87E87-R97 IonicContact OE1-CZ 3.25Å; E87-R97 VanDerWaalsContact OE1-CZ 3.25Å; E87-R97 IonicContact OE1-NH1 2.8Å; E87-R97 PolarHBondContact OE1-NH1 3Å; E87-R97 IonicContact OE1-NH2 3.83Å; E87-R97 PolarHBondContact OE1-NH2 3.27Å
98Q90.1Very high93.4Very high192 Ų19271.9 Ų71.990%0.89736%0.362SS*.THydrogen-bonded Turntrans-100.7-9-176.5-68.1-178.2-32.700113S96S96-Q98 PolarHBondContact O-N 3.38Å; S96-Q98 PolarHBondContact OG-N 2.83Å
99F91Very high93.4Very high77 Ų7765.9 Ų65.934%0.33834%0.343SS..BIsolated β-bridgetrans-138.5128.7-169.2-172.5-107.8000112.6Y46 N70 P95 S96 F130Y46-F99 HydrophobicContact CE1-CE2 4.23Å; Y46-F99 HydrophobicContact CE1-CZ 4.05Å; Y46-F99 VanDerWaalsContact OH-CE2 3.26Å; Y46-F99 WeakPolarHBondContact OH-CE2 3.21Å; N70-F99 WeakPolarHBondContact ND2-CE1 3.46Å; N70-F99 WeakPolarHBondContact ND2-CZ 3.44Å; P95-F99 HydrophobicContact CG-CD1 3.79Å; S96-F99 VanDerWaalsContact OG-CB 3.3Å; S96-F99 WeakPolarHBondContact OG-CB 3.45Å; S96-F99 PolarHBondContact OG-N 2.85Å; S96-F99 VanDerWaalsContact OG-N 3.15Å; F99-F130 HydrophobicContact CD1-CB 3.92Å; F99-F130 HydrophobicContact CE1-CB 3.63Å; F99-F130 HydrophobicContact CE1-CD2 4.34Å; F99-F130 HydrophobicContact CE1-CG 4.47Å; F99-F130 WeakPolarHBondContact CE1-OXT 3.46Å; F99-F130 HydrophobicContact CZ-CB 4.36Å; F99-F130 WeakPolarHBondContact CZ-OXT 3.32Å
100G94.2Very high93.5Very high6 Ų664.8 Ų64.86%0.06234%0.341CS..  trans97.5161.2179.200000113.8F129G100-F129 CarbonylContact C-O 3.58Å; G100-F129 WeakPolarHBondContact CA-O 3.04Å
101Y95.9Very high93.7Very high58 Ų5864.2 Ų64.223%0.22734%0.337CS..EExtended strand (participates in β ladder)trans-136.6140.5-178.1-62.6-82.8000111H44 Y46 D112 H113 Y128 F129H44-Y101 HydrophobicContact CB-CD2 4.17Å; H44-Y101 HydrophobicContact CB-CE2 3.88Å; H44-Y101 AromaticContact CE1-CD1 3.64Å; H44-Y101 AromaticContact CE1-CE1 3.31Å; H44-Y101 WeakPolarHBondContact CE1-CE1 3.21Å; H44-Y101 AromaticContact CE1-CE2 3.89Å; H44-Y101 AromaticContact CE1-CZ 3.43Å; H44-Y101 VanDerWaalsContact CE1-CZ 3.43Å; H44-Y101 AromaticContact CG-CD2 3.83Å; H44-Y101 AromaticContact CG-CE2 3.59Å; H44-Y101 AromaticContact CG-CZ 3.9Å; H44-Y101 AromaticContact ND1-CD2 3.9Å; H44-Y101 AromaticContact ND1-CE1 3.56Å; H44-Y101 AromaticContact ND1-CE2 3.32Å; H44-Y101 VanDerWaalsContact ND1-CE2 3.32Å; H44-Y101 WeakPolarHBondContact ND1-CE2 3.37Å; H44-Y101 AromaticContact ND1-CZ 3.13Å; H44-Y101 PolarHBondContact ND1-OH 3.08Å; H44-Y101 AromaticContact NE2-CD1 3.9Å; Y46-Y101 AromaticContact CE2-CD2 3.85Å; Y46-Y101 HydrophobicContact CE2-CD2 3.85Å; Y46-Y101 AromaticContact CE2-CE2 3.86Å; Y46-Y101 HydrophobicContact CE2-CE2 3.86Å; Y101-D112 HydrophobicContact CD1-CB 4.27Å; Y101-H113 AromaticContact CD1-CE1 3.84Å; Y101-Y128 VanDerWaalsContact O-CA 3.3Å; Y101-Y128 WeakPolarHBondContact O-CA 3.18Å; Y101-F129 HydrophobicContact CD2-CD2 4.42Å; Y101-F129 AromaticContact CD2-CE2 3.58Å; Y101-F129 HydrophobicContact CD2-CE2 3.58Å; Y101-F129 AromaticContact CD2-CZ 3.97Å; Y101-F129 HydrophobicContact CD2-CZ 3.97Å; Y101-F129 HydrophobicContact CG-CE2 4.12Å; Y101-F129 HydrophobicContact CG-CZ 4.07Å; Y101-F129 PolarHBondContact N-O 2.69Å; Y101-F129 PolarHBondContact O-N 3.27Å
102I95.6Very high93.7Very high3 Ų357 Ų572%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-96.3133.2167.1-61.9172.8000107.8W89 T90 L93 L94 L104 D112 H113 I125W89-I102 HydrophobicContact CB-CD1 4.18Å; W89-I102 WeakPolarHBondContact O-CD1 3.33Å; T90-I102 HydrophobicContact CG2-CD1 3.89Å; L93-I102 HydrophobicContact CB-CD1 4.17Å; L93-I102 HydrophobicContact CB-CG1 4.45Å; L93-I102 HydrophobicContact CD1-CD1 3.98Å; L93-I102 HydrophobicContact CD1-CG1 4.31Å; L94-I102 HydrophobicContact CD1-CG1 4.36Å; L94-I102 HydrophobicContact CD2-CG1 4.03Å; L94-I102 HydrophobicContact CG-CD1 4.36Å; L94-I102 HydrophobicContact CG-CG1 4.14Å; I102-L104 HydrophobicContact CG2-CD2 4.01Å; I102-L104 HydrophobicContact CG2-CG 4.38Å; I102-D112 CarbonylContact O-C 3.55Å; I102-D112 WeakPolarHBondContact O-CA 3.37Å; I102-H113 HydrophobicContact CB-CB 4.12Å; I102-H113 PolarHBondContact N-ND1 3.4Å; I102-H113 PolarHBondContact O-N 3.29Å; I102-I125 HydrophobicContact CG2-CD1 3.57Å; I102-I125 HydrophobicContact CG2-CG1 3.82Å
103V96.3Very high93.7Very high0 Ų049.7 Ų49.70%027%0.272CS..EExtended strand (participates in β ladder)trans-100.8128.9176.4-174.70000109.7F37 V40 I110 L126 G127 F129F37-V103 HydrophobicContact CD2-CB 3.93Å; F37-V103 HydrophobicContact CD2-CG1 3.73Å; F37-V103 HydrophobicContact CD2-CG2 4.08Å; F37-V103 HydrophobicContact CE1-CG2 4.13Å; F37-V103 HydrophobicContact CE2-CB 3.45Å; F37-V103 VanDerWaalsContact CE2-CB 3.45Å; F37-V103 HydrophobicContact CE2-CG1 3.81Å; F37-V103 HydrophobicContact CE2-CG2 3.56Å; F37-V103 HydrophobicContact CZ-CB 3.98Å; F37-V103 HydrophobicContact CZ-CG2 3.57Å; V40-V103 HydrophobicContact CG1-CG2 4.25Å; V103-I110 HydrophobicContact CG1-CG2 3.41Å; V103-I110 VanDerWaalsContact CG1-CG2 3.41Å; V103-L126 HydrophobicContact CG1-CB 4.44Å; V103-L126 HydrophobicContact CG1-CD1 4.13Å; V103-L126 PolarHBondContact O-N 3.45Å; V103-G127 PolarHBondContact N-O 2.77Å; V103-G127 PolarHBondContact O-N 3.03Å; V103-F129 HydrophobicContact CG2-CD1 3.82Å; V103-F129 HydrophobicContact CG2-CE1 3.42Å; V103-F129 VanDerWaalsContact CG2-CE1 3.42Å
104L95.7Very high93.7Very high2 Ų250.9 Ų50.91%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-118.5144.1-177.8-57.6169.5000109.5I81 M86 I102 T106 I110 M111 H113 A116 K124 I125I81-L104 HydrophobicContact CD1-CD2 3.88Å; M86-L104 HydrophobicContact SD-CD1 3.9Å; I102-L104 HydrophobicContact CG2-CD2 4.01Å; I102-L104 HydrophobicContact CG2-CG 4.38Å; L104-T106 HydrophobicContact CB-CG2 4.25Å; L104-I110 WeakPolarHBondContact O-CA 3.39Å; L104-M111 PolarHBondContact N-O 3.19Å; L104-M111 PolarHBondContact O-N 3.15Å; L104-H113 HydrophobicContact CD1-CB 4.13Å; L104-A116 HydrophobicContact CD1-CB 3.77Å; L104-K124 CarbonylContact C-O 3.57Å; L104-K124 WeakPolarHBondContact CA-O 3.25Å; L104-I125 HydrophobicContact CD2-CB 4.17Å; L104-I125 HydrophobicContact CD2-CG1 4.29Å
105T95.9Very high93.7Very high45 Ų4552.3 Ų52.328%0.27629%0.285SS..EExtended strand (participates in β ladder)trans-97115.6164.6-172.90000108.3G123 K124 L126T105-G123 CarbonylContact O-C 3.51Å; T105-G123 WeakPolarHBondContact O-CA 3.43Å; T105-K124 HydrophobicContact CG2-CB 3.61Å; T105-K124 WeakPolarHBondContact CG2-O 3.38Å; T105-K124 PolarHBondContact N-O 3.38Å; T105-K124 PolarHBondContact O-N 3.23Å; T105-L126 HydrophobicContact CG2-CD2 4.25Å; T105-L126 HydrophobicContact CG2-CG 4.23Å
106T94.8Very high93.7Very high13 Ų1348.5 Ų48.58%0.0826%0.26CS..EExtended strand (participates in β ladder)trans-115.1171.9179.473.50000109.4L104 A108 G109 M111 V121 G122L104-T106 HydrophobicContact CB-CG2 4.25Å; T106-A108 PolarHBondContact O-N 2.92Å; T106-A108 PolarHBondContact OG1-N 2.98Å; T106-G109 PolarHBondContact N-O 2.95Å; T106-G109 PolarHBondContact O-N 3.46Å; T106-G109 VanDerWaalsContact O-N 3.12Å; T106-G109 PolarHBondContact OG1-N 2.63Å; T106-G109 PolarHBondContact OG1-O 3.07Å; T106-M111 HydrophobicContact CG2-CG 4.14Å; T106-M111 HydrophobicContact CG2-SD 4.11Å; T106-M111 VanDerWaalsContact OG1-CE 3.25Å; T106-M111 WeakPolarHBondContact OG1-CE 3.47Å; T106-V121 HydrophobicContact CG2-CG2 4.11Å; T106-G122 WeakPolarHBondContact CB-O 3.45Å; T106-G122 VanDerWaalsContact CG2-O 3.31Å; T106-G122 WeakPolarHBondContact CG2-O 3.21Å
107S92Very high93.7Very high124 Ų12449.2 Ų49.287%0.86726%0.255SS*.THydrogen-bonded Turntrans-61.8-26.4171.149.70000113G109S107-G109 VanDerWaalsContact C-N 3.3Å
108A91.1Very high93.9Very high59 Ų5949.3 Ų49.349%0.48826%0.255SS..THydrogen-bonded Turntrans-87.24.9176.800000113.4T106 M111T106-A108 PolarHBondContact O-N 2.92Å; T106-A108 PolarHBondContact OG1-N 2.98Å; A108-M111 HydrophobicContact CB-CE 3.8Å
109G93.6Very high94.1Very high27 Ų2745 Ų4528%0.27823%0.233SC..EExtended strand (participates in β ladder)trans114.6-174.3178.500000114.2T106 S107T106-G109 PolarHBondContact N-O 2.95Å; T106-G109 PolarHBondContact O-N 3.46Å; T106-G109 VanDerWaalsContact O-N 3.12Å; T106-G109 PolarHBondContact OG1-N 2.63Å; T106-G109 PolarHBondContact OG1-O 3.07Å; S107-G109 VanDerWaalsContact C-N 3.3Å
110I95.7Very high94.2Very high24 Ų2448.3 Ų48.312%0.12325%0.249CC..EExtended strand (participates in β ladder)trans-83.4123.2175.1-63-178.3000108.9V33 Q36 V40 V103 L104 L126V33-I110 HydrophobicContact CB-CD1 4.42Å; V33-I110 HydrophobicContact CG1-CD1 3.93Å; Q36-I110 HydrophobicContact CB-CB 4.19Å; Q36-I110 HydrophobicContact CB-CD1 3.92Å; Q36-I110 HydrophobicContact CB-CG2 4.49Å; Q36-I110 VanDerWaalsContact OE1-CD1 3.26Å; Q36-I110 VanDerWaalsContact OE1-CG1 3.3Å; V40-I110 HydrophobicContact CG2-CG2 4.43Å; V103-I110 HydrophobicContact CG1-CG2 3.41Å; V103-I110 VanDerWaalsContact CG1-CG2 3.41Å; L104-I110 WeakPolarHBondContact O-CA 3.39Å; I110-L126 HydrophobicContact CD1-CD1 3.64Å; I110-L126 HydrophobicContact CG1-CD1 3.91Å; I110-L126 HydrophobicContact CG2-CD1 3.9Å
111M95.2Very high94.2Very high3 Ų349.7 Ų49.72%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-147.6167.2-177.462-169.464.300111.1L104 T106 A108 E115 A116 K119 V121L104-M111 PolarHBondContact N-O 3.19Å; L104-M111 PolarHBondContact O-N 3.15Å; T106-M111 HydrophobicContact CG2-CG 4.14Å; T106-M111 HydrophobicContact CG2-SD 4.11Å; T106-M111 VanDerWaalsContact OG1-CE 3.25Å; T106-M111 WeakPolarHBondContact OG1-CE 3.47Å; A108-M111 HydrophobicContact CB-CE 3.8Å; M111-E115 HydrophobicContact CB-CB 4.18Å; M111-E115 HydrophobicContact CB-CG 4.21Å; M111-E115 WeakPolarHBondContact CB-OE2 3.28Å; M111-E115 HydrophobicContact SD-CB 4.49Å; M111-E115 HydrophobicContact SD-CG 4.13Å; M111-A116 HydrophobicContact CG-CB 4.2Å; M111-A116 HydrophobicContact SD-CB 4.1Å; M111-K119 HydrophobicContact CE-CD 4.19Å; M111-K119 HydrophobicContact SD-CD 4.2Å; M111-V121 HydrophobicContact SD-CG2 4.04Å
112D94.7Very high94Very high14 Ų1448.2 Ų48.28%0.07526%0.259CS..EExtended strand (participates in β ladder)trans-76.4161.8170.665.1-64.1000111.5V40 H44 Y101 I102 D114 E115 A116V40-D112 HydrophobicContact CG1-CB 4.36Å; H44-D112 IonicContact NE2-OD1 2.63Å; Y101-D112 HydrophobicContact CD1-CB 4.27Å; I102-D112 CarbonylContact O-C 3.55Å; I102-D112 WeakPolarHBondContact O-CA 3.37Å; D112-D114 VanDerWaalsContact C-N 3.27Å; D112-D114 PolarHBondContact O-N 3.31Å; D112-D114 WeakPolarHBondContact OD2-CB 3.42Å; D112-D114 PolarHBondContact OD2-N 2.75Å; D112-E115 PolarHBondContact O-N 3.27Å; D112-E115 WeakPolarHBondContact OD1-CB 3.31Å; D112-E115 PolarHBondContact OD2-N 3.21Å; D112-A116 WeakPolarHBondContact O-CB 3.38Å; D112-A116 PolarHBondContact O-N 2.86Å
113H93.2Very high94Very high9 Ų949 Ų494%0.04227%0.267CS..Hα-helixtrans-64.9-24.3-179.471.5-55.9000114.9M86 T90 Y101 I102 L104 R117M86-H113 HydrophobicContact SD-CB 4.36Å; T90-H113 WeakPolarHBondContact CG2-CD2 3.44Å; T90-H113 WeakPolarHBondContact CG2-NE2 3.34Å; Y101-H113 AromaticContact CD1-CE1 3.84Å; I102-H113 HydrophobicContact CB-CB 4.12Å; I102-H113 PolarHBondContact N-ND1 3.4Å; I102-H113 PolarHBondContact O-N 3.29Å; L104-H113 HydrophobicContact CD1-CB 4.13Å; H113-R117 PolarHBondContact CD2-NH2 2.79Å; H113-R117 PolarHBondContact NE2-NH2 2.97Å; H113-R117 WeakPolarHBondContact O-CG 3.45Å; H113-R117 PolarHBondContact O-N 2.92Å
114D92.9Very high94Very high53 Ų5352.9 Ų52.928%0.28328%0.284SS..Hα-helixtrans-78.8-40.9176.6-64.6-34.8000110.7D112 A116 R117 R118D112-D114 VanDerWaalsContact C-N 3.27Å; D112-D114 PolarHBondContact O-N 3.31Å; D112-D114 WeakPolarHBondContact OD2-CB 3.42Å; D112-D114 PolarHBondContact OD2-N 2.75Å; D114-A116 VanDerWaalsContact C-N 3.32Å; D114-A116 PolarHBondContact O-N 2.92Å; D114-R117 PolarHBondContact O-N 2.79Å; D114-R117 IonicContact OD1-CZ 2.75Å; D114-R117 IonicContact OD1-NE 4Å; D114-R117 IonicContact OD1-NH2 3.13Å; D114-R117 PolarHBondContact OD1-NH2 3.05Å; D114-R118 WeakPolarHBondContact O-CG 3.21Å; D114-R118 PolarHBondContact O-N 2.89Å
115E93.4Very high94Very high47 Ų4752.8 Ų52.822%0.2228%0.284CS..Hα-helixtrans-60.9-41.1169.7-172.4176.2-176.900111.7M111 D112 R117 R118 K119M111-E115 HydrophobicContact CB-CB 4.18Å; M111-E115 HydrophobicContact CB-CG 4.21Å; M111-E115 WeakPolarHBondContact CB-OE2 3.28Å; M111-E115 HydrophobicContact SD-CB 4.49Å; M111-E115 HydrophobicContact SD-CG 4.13Å; D112-E115 PolarHBondContact O-N 3.27Å; D112-E115 WeakPolarHBondContact OD1-CB 3.31Å; D112-E115 PolarHBondContact OD2-N 3.21Å; E115-R117 VanDerWaalsContact C-N 3.35Å; E115-R117 PolarHBondContact O-N 3Å; E115-R118 PolarHBondContact O-N 2.87Å; E115-K119 HydrophobicContact CG-CD 4.3Å; E115-K119 PolarHBondContact O-N 3.04Å; E115-K119 WeakPolarHBondContact OE1-CE 3.25Å; E115-K119 IonicContact OE1-NZ 3.32Å; E115-K119 PolarHBondContact OE1-NZ 3.34Å
116A94.4Very high93.9Very high0 Ų050.7 Ų50.70%027%0.271CS..Hα-helixtrans-62.1-39.9175.900000112.5M86 L104 M111 D112 D114 H120 V121M86-A116 HydrophobicContact CE-CB 3.95Å; M86-A116 HydrophobicContact SD-CB 4.19Å; L104-A116 HydrophobicContact CD1-CB 3.77Å; M111-A116 HydrophobicContact CG-CB 4.2Å; M111-A116 HydrophobicContact SD-CB 4.1Å; D112-A116 WeakPolarHBondContact O-CB 3.38Å; D112-A116 PolarHBondContact O-N 2.86Å; D114-A116 VanDerWaalsContact C-N 3.32Å; D114-A116 PolarHBondContact O-N 2.92Å; A116-H120 PolarHBondContact O-N 2.94Å; A116-H120 VanDerWaalsContact O-N 3.15Å; A116-V121 HydrophobicContact CB-CG2 4.43Å; A116-V121 PolarHBondContact O-N 3.05Å
117R92.4Very high94Very high70 Ų7050.1 Ų50.126%0.26427%0.267SS..Hα-helixtrans-63.8-45.8173.4-81.3-168.6-92.8-152.71.6112M86 E87 H113 D114 E115 K119 H120M86-R117 HydrophobicContact CE-CG 4.03Å; M86-R117 HydrophobicContact SD-CG 3.73Å; E87-R117 IonicContact OE2-NH1 3.97Å; E87-R117 PolarHBondContact OE2-NH1 3.36Å; E87-R117 VanDerWaalsContact OE2-NH1 3.13Å; H113-R117 PolarHBondContact CD2-NH2 2.79Å; H113-R117 PolarHBondContact NE2-NH2 2.97Å; H113-R117 WeakPolarHBondContact O-CG 3.45Å; H113-R117 PolarHBondContact O-N 2.92Å; D114-R117 PolarHBondContact O-N 2.79Å; D114-R117 IonicContact OD1-CZ 2.75Å; D114-R117 IonicContact OD1-NE 4Å; D114-R117 IonicContact OD1-NH2 3.13Å; D114-R117 PolarHBondContact OD1-NH2 3.05Å; E115-R117 VanDerWaalsContact C-N 3.35Å; E115-R117 PolarHBondContact O-N 3Å; R117-K119 VanDerWaalsContact C-N 3.32Å; R117-K119 PolarHBondContact O-N 3.23Å; R117-H120 PolarHBondContact O-N 2.96Å; R117-H120 VanDerWaalsContact O-N 3.08Å
118R93.6Very high94.2Very high210 Ų21045.8 Ų45.879%0.79223%0.232SC*.Hα-helixtrans-61.1-39.7178.4-70.9176.3-169173.94.9112.7D114 E115 H120D114-R118 WeakPolarHBondContact O-CG 3.21Å; D114-R118 PolarHBondContact O-N 2.89Å; E115-R118 PolarHBondContact O-N 2.87Å; R118-H120 VanDerWaalsContact C-N 3.25Å; R118-H120 PolarHBondContact O-N 3.07Å
119K94.3Very high94.4Very high102 Ų10243 Ų4344%0.44321%0.209SC..THydrogen-bonded Turntrans-81.2-1.8177.8-70.9-177.5-173.7171.40113.7M111 E115 R117 V121M111-K119 HydrophobicContact CE-CD 4.19Å; M111-K119 HydrophobicContact SD-CD 4.2Å; E115-K119 HydrophobicContact CG-CD 4.3Å; E115-K119 PolarHBondContact O-N 3.04Å; E115-K119 WeakPolarHBondContact OE1-CE 3.25Å; E115-K119 IonicContact OE1-NZ 3.32Å; E115-K119 PolarHBondContact OE1-NZ 3.34Å; R117-K119 VanDerWaalsContact C-N 3.32Å; R117-K119 PolarHBondContact O-N 3.23Å; K119-V121 VanDerWaalsContact C-N 3.28Å; K119-V121 HydrophobicContact CB-CG2 3.83Å; K119-V121 PolarHBondContact O-N 2.85Å
120H92.9Very high94.5Very high146 Ų14643 Ų4368%0.67620%0.202SC*.THydrogen-bonded Turntrans51.246.1-174.8-88.5-85.6000112.7I83 A116 R117 R118I83-H120 HydrophobicContact CD1-CB 4.37Å; I83-H120 WeakPolarHBondContact CD1-O 3.41Å; A116-H120 PolarHBondContact O-N 2.94Å; A116-H120 VanDerWaalsContact O-N 3.15Å; R117-H120 PolarHBondContact O-N 2.96Å; R117-H120 VanDerWaalsContact O-N 3.08Å; R118-H120 VanDerWaalsContact C-N 3.25Å; R118-H120 PolarHBondContact O-N 3.07Å
121V94.1Very high94.4Very high34 Ų3444 Ų4421%0.20621%0.206CC..  trans-122.4137.1177.4-69.90000111.7M86 T106 M111 A116 K119M86-V121 VanDerWaalsContact CE-O 3.29Å; M86-V121 WeakPolarHBondContact CE-O 3.5Å; T106-V121 HydrophobicContact CG2-CG2 4.11Å; M111-V121 HydrophobicContact SD-CG2 4.04Å; A116-V121 HydrophobicContact CB-CG2 4.43Å; A116-V121 PolarHBondContact O-N 3.05Å; K119-V121 VanDerWaalsContact C-N 3.28Å; K119-V121 HydrophobicContact CB-CG2 3.83Å; K119-V121 PolarHBondContact O-N 2.85Å
122G92.7Very high94.4Very high28 Ų2846.2 Ų46.229%0.28922%0.216SC..  trans-90.3-176.8166.500000111.4I81 T106I81-G122 WeakPolarHBondContact O-CA 3.41Å; T106-G122 WeakPolarHBondContact CB-O 3.45Å; T106-G122 VanDerWaalsContact CG2-O 3.31Å; T106-G122 WeakPolarHBondContact CG2-O 3.21Å
123G94.9Very high94.4Very high18 Ų1847.9 Ų47.919%0.18622%0.224CC..EExtended strand (participates in β ladder)trans178.8-158.717900000113I81 T105I81-G123 PolarHBondContact N-O 3.12Å; I81-G123 PolarHBondContact O-N 3.4Å; T105-G123 CarbonylContact O-C 3.51Å; T105-G123 WeakPolarHBondContact O-CA 3.43Å
124K95.8Very high94.4Very high83 Ų8350.2 Ų50.236%0.36123%0.234SC..EExtended strand (participates in β ladder)trans-106.5141173.1-68.4174.2-176.4-70.10110.5R78 F79 D80 L104 T105R78-K124 HydrophobicContact CB-CB 4.44Å; F79-K124 CarbonylContact O-C 3.6Å; F79-K124 VanDerWaalsContact O-CA 3.28Å; F79-K124 WeakPolarHBondContact O-CA 3.08Å; D80-K124 WeakPolarHBondContact OD1-CE 3.44Å; D80-K124 WeakPolarHBondContact OD1-CG 3.15Å; D80-K124 IonicContact OD1-NZ 2.69Å; D80-K124 PolarHBondContact OD1-NZ 3.42Å; D80-K124 IonicContact OD2-NZ 2.77Å; D80-K124 PolarHBondContact OD2-NZ 3.09Å; L104-K124 CarbonylContact C-O 3.57Å; L104-K124 WeakPolarHBondContact CA-O 3.25Å; T105-K124 HydrophobicContact CG2-CB 3.61Å; T105-K124 WeakPolarHBondContact CG2-O 3.38Å; T105-K124 PolarHBondContact N-O 3.38Å; T105-K124 PolarHBondContact O-N 3.23Å
125I95.5Very high94.5Very high0 Ų050.1 Ų50.10%023%0.231CC..EExtended strand (participates in β ladder)trans-72.2132.3175.6-163.9160.2000111.5I75 R78 F79 I81 W89 L93 I102 L104I75-I125 HydrophobicContact CB-CD1 4.43Å; I75-I125 HydrophobicContact CB-CG1 4.24Å; I75-I125 HydrophobicContact CB-CG2 3.94Å; I75-I125 HydrophobicContact CG1-CD1 3.86Å; I75-I125 HydrophobicContact CG1-CG1 4.05Å; I75-I125 HydrophobicContact CG2-CG2 3.63Å; R78-I125 WeakPolarHBondContact CB-O 3.38Å; R78-I125 WeakPolarHBondContact CG-O 3.39Å; F79-I125 HydrophobicContact CB-CG2 4.07Å; F79-I125 HydrophobicContact CD2-CG2 4.38Å; F79-I125 PolarHBondContact O-N 3.23Å; I81-I125 HydrophobicContact CD1-CB 3.63Å; I81-I125 HydrophobicContact CD1-CD1 3.78Å; I81-I125 HydrophobicContact CD1-CG1 4.16Å; I81-I125 HydrophobicContact CD1-CG2 4.31Å; I81-I125 HydrophobicContact CG1-CB 4.38Å; W89-I125 HydrophobicContact CD2-CD1 4.49Å; W89-I125 HydrophobicContact CE3-CD1 4.09Å; L93-I125 HydrophobicContact CD1-CD1 3.51Å; I102-I125 HydrophobicContact CG2-CD1 3.57Å; I102-I125 HydrophobicContact CG2-CG1 3.82Å; L104-I125 HydrophobicContact CD2-CB 4.17Å; L104-I125 HydrophobicContact CD2-CG1 4.29Å
126L95.6Very high94.6Very high1 Ų150.3 Ų50.31%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-98.9-50.5172.8-72.3175000110.7L7 V33 F37 V74 I75 V103 T105 I110L7-L126 HydrophobicContact CD2-CB 4.42Å; V33-L126 HydrophobicContact CG1-CD1 4.31Å; V33-L126 HydrophobicContact CG1-CD2 4.33Å; F37-L126 HydrophobicContact CD2-CB 4.34Å; F37-L126 HydrophobicContact CE2-CB 4.16Å; V74-L126 WeakPolarHBondContact CG1-O 3.31Å; I75-L126 PolarHBondContact N-O 2.87Å; I75-L126 VanDerWaalsContact N-O 3.09Å; V103-L126 HydrophobicContact CG1-CB 4.44Å; V103-L126 HydrophobicContact CG1-CD1 4.13Å; V103-L126 PolarHBondContact O-N 3.45Å; T105-L126 HydrophobicContact CG2-CD2 4.25Å; T105-L126 HydrophobicContact CG2-CG 4.23Å; I110-L126 HydrophobicContact CD1-CD1 3.64Å; I110-L126 HydrophobicContact CG1-CD1 3.91Å; I110-L126 HydrophobicContact CG2-CD1 3.9Å
127G95.9Very high94.6Very high0 Ų053.9 Ų53.90%025%0.249CC..EExtended strand (participates in β ladder)trans-179.6-172.9-173.100000112G73 V103G73-G127 CarbonylContact O-C 3.6Å; G73-G127 WeakPolarHBondContact O-CA 3.15Å; V103-G127 PolarHBondContact N-O 2.77Å; V103-G127 PolarHBondContact O-N 3.03Å
128Y96.1Very high94.8Very high33 Ų3352.6 Ų52.613%0.12925%0.247CC..EExtended strand (participates in β ladder)trans-139.5155.7178.261.9-89.9000109.7K71 C72 G73 I75 L93 Y101 F130K71-Y128 HydrophobicContact CD-CE2 4.24Å; K71-Y128 WeakPolarHBondContact CE-OH 3.39Å; K71-Y128 HydrophobicContact CG-CE2 4.24Å; C72-Y128 WeakPolarHBondContact CA-O 3.28Å; G73-Y128 PolarHBondContact N-O 3.05Å; G73-Y128 PolarHBondContact O-N 3.28Å; I75-Y128 HydrophobicContact CD1-CD1 3.89Å; I75-Y128 HydrophobicContact CD1-CE1 3.87Å; I75-Y128 HydrophobicContact CG1-CD1 4.1Å; I75-Y128 HydrophobicContact CG1-CE1 4.45Å; L93-Y128 HydrophobicContact CD1-CD1 4.41Å; L93-Y128 HydrophobicContact CD2-CD1 4.32Å; L93-Y128 HydrophobicContact CD2-CE1 4.39Å; Y101-Y128 VanDerWaalsContact O-CA 3.3Å; Y101-Y128 WeakPolarHBondContact O-CA 3.18Å; Y128-F130 AromaticContact CD2-CD1 3.77Å; Y128-F130 HydrophobicContact CD2-CD1 3.77Å; Y128-F130 AromaticContact CD2-CE1 3.44Å; Y128-F130 HydrophobicContact CD2-CE1 3.44Å; Y128-F130 VanDerWaalsContact CD2-CE1 3.44Å; Y128-F130 HydrophobicContact CD2-CZ 4.5Å; Y128-F130 HydrophobicContact CE2-CD1 4.26Å; Y128-F130 AromaticContact CE2-CE1 3.52Å; Y128-F130 HydrophobicContact CE2-CE1 3.52Å; Y128-F130 HydrophobicContact CE2-CZ 4.19Å
129F95.9Very high94.9Very high0 Ų039.5 Ų39.50%020%0.202CC..EExtended strand (participates in β ladder)trans-145142.8169.460.8-92.4000110.4F37 V40 M41 H44 Y46 K71 C72 G100 Y101 V103F37-F129 AromaticContact CE1-CD1 3.88Å; F37-F129 HydrophobicContact CE1-CD1 3.88Å; F37-F129 HydrophobicContact CE1-CE1 4.49Å; F37-F129 HydrophobicContact CZ-CD1 4.14Å; V40-F129 HydrophobicContact CG1-CE1 4.08Å; V40-F129 HydrophobicContact CG1-CZ 4.09Å; M41-F129 HydrophobicContact CE-CB 3.93Å; M41-F129 HydrophobicContact CE-CD2 4.49Å; M41-F129 HydrophobicContact CE-CG 4.15Å; M41-F129 HydrophobicContact CG-CD1 3.64Å; M41-F129 HydrophobicContact CG-CD2 4.18Å; M41-F129 HydrophobicContact CG-CE1 3.73Å; M41-F129 HydrophobicContact CG-CE2 4.27Å; M41-F129 HydrophobicContact CG-CG 3.87Å; M41-F129 HydrophobicContact CG-CZ 4.06Å; M41-F129 HydrophobicContact SD-CB 4.5Å; M41-F129 HydrophobicContact SD-CD1 4.41Å; M41-F129 HydrophobicContact SD-CG 4.44Å; H44-F129 HydrophobicContact CB-CE2 4.23Å; H44-F129 HydrophobicContact CB-CZ 4.49Å; H44-F129 AromaticContact CD2-CZ 3.86Å; Y46-F129 HydrophobicContact CD1-CD2 4.24Å; Y46-F129 AromaticContact CD2-CD2 3.66Å; Y46-F129 HydrophobicContact CD2-CD2 3.66Å; Y46-F129 AromaticContact CD2-CE2 3.43Å; Y46-F129 HydrophobicContact CD2-CE2 3.43Å; Y46-F129 VanDerWaalsContact CD2-CE2 3.43Å; Y46-F129 HydrophobicContact CE1-CD2 4.41Å; Y46-F129 AromaticContact CE2-CD2 3.86Å; Y46-F129 HydrophobicContact CE2-CD2 3.86Å; Y46-F129 AromaticContact CE2-CE2 3.63Å; Y46-F129 HydrophobicContact CE2-CE2 3.63Å; Y46-F129 AromaticContact CG-CD2 3.84Å; Y46-F129 HydrophobicContact CG-CD2 3.84Å; Y46-F129 HydrophobicContact CG-CE2 4.06Å; K71-F129 WeakPolarHBondContact O-CA 3.46Å; C72-F129 HydrophobicContact CB-CB 4.03Å; G100-F129 CarbonylContact C-O 3.58Å; G100-F129 WeakPolarHBondContact CA-O 3.04Å; Y101-F129 HydrophobicContact CD2-CD2 4.42Å; Y101-F129 AromaticContact CD2-CE2 3.58Å; Y101-F129 HydrophobicContact CD2-CE2 3.58Å; Y101-F129 AromaticContact CD2-CZ 3.97Å; Y101-F129 HydrophobicContact CD2-CZ 3.97Å; Y101-F129 HydrophobicContact CG-CE2 4.12Å; Y101-F129 HydrophobicContact CG-CZ 4.07Å; Y101-F129 PolarHBondContact N-O 2.69Å; Y101-F129 PolarHBondContact O-N 3.27Å; V103-F129 HydrophobicContact CG2-CD1 3.82Å; V103-F129 HydrophobicContact CG2-CE1 3.42Å; V103-F129 VanDerWaalsContact CG2-CE1 3.42Å
130F94.7Very high94.9Very high29 Ų2933.8 Ų33.813%0.12718%0.18CC..  trans-159.80173.357.3-100.9000108.6N70 K71 L93 L94 P95 F99 Y128N70-F130 CarbonylContact C-O 3.47Å; N70-F130 WeakPolarHBondContact CA-O 3.26Å; N70-F130 HydrophobicContact CB-CD2 4.14Å; N70-F130 WeakPolarHBondContact CB-OXT 3.5Å; N70-F130 PolarHBondContact N-O 3Å; N70-F130 PolarHBondContact N-OXT 3.34Å; N70-F130 PolarHBondContact ND2-OXT 3.32Å; K71-F130 CarbonylContact C-O 3.53Å; K71-F130 HydrophobicContact CB-CD2 4.19Å; K71-F130 HydrophobicContact CB-CE1 4.46Å; K71-F130 HydrophobicContact CB-CE2 3.65Å; K71-F130 HydrophobicContact CB-CZ 3.82Å; K71-F130 HydrophobicContact CD-CE2 4.42Å; K71-F130 HydrophobicContact CD-CZ 3.95Å; K71-F130 HydrophobicContact CG-CZ 4.37Å; K71-F130 PolarHBondContact N-O 3.18Å; K71-F130 PolarHBondContact O-N 3.23Å; L93-F130 WeakPolarHBondContact O-CE1 3.38Å; L94-F130 HydrophobicContact CD2-CD1 4.42Å; P95-F130 HydrophobicContact CG-CB 4.36Å; P95-F130 HydrophobicContact CG-CD1 4.44Å; P95-F130 HydrophobicContact CG-CD2 3.88Å; P95-F130 HydrophobicContact CG-CE2 4.21Å; P95-F130 HydrophobicContact CG-CG 4.01Å; F99-F130 HydrophobicContact CD1-CB 3.92Å; F99-F130 HydrophobicContact CE1-CB 3.63Å; F99-F130 HydrophobicContact CE1-CD2 4.34Å; F99-F130 HydrophobicContact CE1-CG 4.47Å; F99-F130 WeakPolarHBondContact CE1-OXT 3.46Å; F99-F130 HydrophobicContact CZ-CB 4.36Å; F99-F130 WeakPolarHBondContact CZ-OXT 3.32Å; Y128-F130 AromaticContact CD2-CD1 3.77Å; Y128-F130 HydrophobicContact CD2-CD1 3.77Å; Y128-F130 AromaticContact CD2-CE1 3.44Å; Y128-F130 HydrophobicContact CD2-CE1 3.44Å; Y128-F130 VanDerWaalsContact CD2-CE1 3.44Å; Y128-F130 HydrophobicContact CD2-CZ 4.5Å; Y128-F130 HydrophobicContact CE2-CD1 4.26Å; Y128-F130 AromaticContact CE2-CE1 3.52Å; Y128-F130 HydrophobicContact CE2-CE1 3.52Å; Y128-F130 HydrophobicContact CE2-CZ 4.19Å

Retrieved 130 of 130 residues in 76.8 ms (Link to these results)

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