A0A3Q0KV39_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A3Q0KV39, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M46.6Very low82.3Confident190 Ų190107.9 Ų107.994%0.93656%0.557SS**  0134.40-69.5-166.1-78.600106.6E3 E30M1-E3 PolarHBondContact O-N 3.11Å; M1-E3 VanDerWaalsContact O-N 3.11Å; M1-E30 HydrophobicContact CE-CG 3.79Å; M1-E30 WeakPolarHBondContact CE-OE1 3.37Å
2S56.3Low83.6Confident100 Ų100103.8 Ų103.870%0.69954%0.536SS*.  trans-58.8116.617250.40000107.4Q4S2-Q4 PolarHBondContact O-N 2.95Å
3E60.7Low84.7Confident191 Ų19197.1 Ų97.189%0.89350%0.501SS*.  trans-52.8106171.9-73.4179.3168.900107.5M1 K5M1-E3 PolarHBondContact O-N 3.11Å; M1-E3 VanDerWaalsContact O-N 3.11Å; E3-K5 PolarHBondContact O-N 2.86Å
4Q72.8Confident85.7Confident107 Ų10794.8 Ų94.850%0.550%0.498SS..  trans-72.4100.5178.2-69-172.91400106.3S2 A6 L78S2-Q4 PolarHBondContact O-N 2.95Å; Q4-A6 PolarHBondContact O-N 2.8Å; Q4-A6 VanDerWaalsContact O-N 3.12Å; Q4-L78 WeakPolarHBondContact O-CD2 3.16Å
5K86.9Confident86.5Confident180 Ų18099.2 Ų99.278%0.78352%0.515SS*.  trans-57.7120.1178-175.7175.2-179.6176.50109.3E3E3-K5 PolarHBondContact O-N 2.86Å
6A95.3Very high87.2Confident26 Ų26101.7 Ų101.722%0.21553%0.529CS..  trans-63.1135.7172.900000110.6Q4 V22 F76 Y77 L78Q4-A6 PolarHBondContact O-N 2.8Å; Q4-A6 VanDerWaalsContact O-N 3.12Å; A6-V22 HydrophobicContact CB-CB 4.31Å; A6-V22 HydrophobicContact CB-CG1 3.57Å; A6-V22 HydrophobicContact CB-CG2 3.68Å; A6-F76 HydrophobicContact CB-CD2 4.45Å; A6-Y77 WeakPolarHBondContact CA-O 3.31Å; A6-L78 HydrophobicContact CB-CD2 3.76Å
7V97.1Very high87.8Confident68 Ų6897 Ų9741%0.41250%0.504SS..EExtended strand (participates in β ladder)trans-115.297172.6-177.50000108.1K9 F76 Y77V7-K9 HydrophobicContact CG1-CD 4.22Å; V7-K9 PolarHBondContact O-N 3.12Å; V7-F76 CarbonylContact O-C 3.54Å; V7-F76 VanDerWaalsContact O-CA 3.31Å; V7-F76 WeakPolarHBondContact O-CA 3.42Å; V7-Y77 PolarHBondContact N-O 3.37Å; V7-Y77 PolarHBondContact O-N 3.29Å
8I97.6Very high88.4Confident72 Ų7293.7 Ų93.737%0.36949%0.486SS..EExtended strand (participates in β ladder)trans-70.7125.3175.7-56177.2000108.5A11 Q18 I74 F76I8-A11 HydrophobicContact CG2-CB 4.09Å; I8-Q18 HydrophobicContact CD1-CB 4.26Å; I8-I74 HydrophobicContact CD1-CD1 4.46Å; I8-I74 HydrophobicContact CG2-CG1 4.43Å; I8-F76 HydrophobicContact CB-CB 4.38Å; I8-F76 HydrophobicContact CG1-CB 4.11Å
9K97.2Very high88.9Confident127 Ų12794.3 Ų94.355%0.55249%0.487SS*.EExtended strand (participates in β ladder)trans-100.8-38.1-179.4-66.1-60.2-174.6-178.10111.8V7 Y75 Y77V7-K9 HydrophobicContact CG1-CD 4.22Å; V7-K9 PolarHBondContact O-N 3.12Å; K9-Y75 HydrophobicContact CB-CD1 3.54Å; K9-Y75 HydrophobicContact CB-CE1 3.87Å; K9-Y75 HydrophobicContact CB-CG 4.44Å; K9-Y75 HydrophobicContact CG-CD1 4.22Å; K9-Y75 HydrophobicContact CG-CE1 4.09Å; K9-Y75 PolarHBondContact N-O 3.24Å; K9-Y77 HydrophobicContact CD-CD2 4.5Å; K9-Y77 HydrophobicContact CG-CD2 3.8Å; K9-Y77 HydrophobicContact CG-CE2 4.03Å
10N97.1Very high89.4Confident95 Ų9591.3 Ų91.351%0.50847%0.471SS..EExtended strand (participates in β ladder)trans-155144.7175.3-165.97.2000109.4F73 Y75N10-F73 HydrophobicContact CB-CE1 4.16Å; N10-Y75 PolarHBondContact N-O 2.83Å; N10-Y75 VanDerWaalsContact N-O 3.11Å; N10-Y75 PolarHBondContact O-N 2.84Å
11A97.9Very high89.8Confident31 Ų3187 Ų8726%0.25645%0.449SS..EExtended strand (participates in β ladder)trans-153.4136.9176.900000110.3I8 M13 Q18 F73 I74I8-A11 HydrophobicContact CG2-CB 4.09Å; A11-M13 HydrophobicContact CB-CG 4.48Å; A11-Q18 HydrophobicContact CB-CG 4.14Å; A11-F73 CarbonylContact C-O 3.46Å; A11-F73 WeakPolarHBondContact CA-O 3.29Å; A11-I74 HydrophobicContact CB-CB 4.5Å; A11-I74 HydrophobicContact CB-CG1 4.05Å
12D98.1Very high92.2Very high58 Ų5878.6 Ų78.631%0.3141%0.408SS..EExtended strand (participates in β ladder)trans-125.483.7161.9175.828000106.7H68 K71 H72 F73D12-H68 IonicContact OD2-NE2 3.87Å; D12-K71 VanDerWaalsContact CG-N 3.34Å; D12-K71 CarbonylContact O-C 3.34Å; D12-K71 WeakPolarHBondContact O-CA 3.43Å; D12-K71 PolarHBondContact OD1-N 2.99Å; D12-K71 PolarHBondContact OD2-N 2.91Å; D12-H72 PolarHBondContact O-N 2.95Å; D12-F73 CarbonylContact C-O 3.57Å; D12-F73 HydrophobicContact CB-CB 4.35Å; D12-F73 PolarHBondContact N-O 2.92Å; D12-F73 PolarHBondContact O-N 2.9Å
13M97.8Very high94.2Very high17 Ų1777 Ų778%0.08439%0.392CS..SBendtrans-172.3168175.650.71625000110A11 M17 Q18 W54 K71 F73 I74A11-M13 HydrophobicContact CB-CG 4.48Å; M13-M17 HydrophobicContact CB-CB 4.39Å; M13-M17 HydrophobicContact CB-SD 4.09Å; M13-M17 HydrophobicContact CE-CB 4.38Å; M13-M17 HydrophobicContact CE-CG 3.61Å; M13-M17 HydrophobicContact CE-SD 3.42Å; M13-M17 WeakPolarHBondContact CE-SD 3.47Å; M13-M17 HydrophobicContact SD-CB 3.95Å; M13-M17 HydrophobicContact SD-CG 3.78Å; M13-M17 HydrophobicContact SD-SD 4.22Å; M13-Q18 HydrophobicContact CG-CG 3.54Å; M13-Q18 PolarHBondContact O-NE2 3.3Å; M13-Q18 HydrophobicContact SD-CB 4.3Å; M13-Q18 HydrophobicContact SD-CG 3.67Å; M13-W54 HydrophobicContact CE-CH2 3.92Å; M13-W54 HydrophobicContact CE-CZ3 4.11Å; M13-K71 WeakPolarHBondContact CA-O 3.42Å; M13-K71 VanDerWaalsContact CB-O 3.29Å; M13-K71 WeakPolarHBondContact CB-O 3.33Å; M13-F73 WeakPolarHBondContact CG-O 3.37Å; M13-I74 HydrophobicContact CE-CB 4.25Å; M13-I74 HydrophobicContact CE-CG2 4.09Å; M13-I74 HydrophobicContact CG-CB 4.41Å; M13-I74 HydrophobicContact SD-CB 3.83Å; M13-I74 HydrophobicContact SD-CD1 4.25Å; M13-I74 HydrophobicContact SD-CG2 4.05Å
14S97.9Very high96Very high65 Ų6568.3 Ų68.346%0.45535%0.352SS..  trans-66.3153.1177.860.60000112.5D16 M17 Q18S14-D16 VanDerWaalsContact C-N 3.27Å; S14-D16 PolarHBondContact O-N 3.48Å; S14-M17 PolarHBondContact O-N 2.89Å; S14-M17 WeakPolarHBondContact OG-CB 3.44Å; S14-M17 PolarHBondContact OG-N 3.3Å; S14-Q18 WeakPolarHBondContact O-CG 3.33Å; S14-Q18 PolarHBondContact O-N 2.96Å
15E97.6Very high97.2Very high161 Ų16163.2 Ų63.275%0.75233%0.328SS*.Hα-helixtrans-56.4-40.9177.6-65.4-175.716900112.3M17 Q18 Q19E15-M17 VanDerWaalsContact C-N 3.32Å; E15-M17 PolarHBondContact O-N 3.02Å; E15-Q18 WeakPolarHBondContact O-CB 3.5Å; E15-Q18 PolarHBondContact O-N 3.18Å; E15-Q18 VanDerWaalsContact O-N 3.16Å; E15-Q19 PolarHBondContact O-N 3.45Å
16D98Very high97.7Very high139 Ų13956.9 Ų56.974%0.74331%0.305SS*.Hα-helixtrans-59.6-41.3175.6-65.1-21.1000112.3S14 Q19 D20S14-D16 VanDerWaalsContact C-N 3.27Å; S14-D16 PolarHBondContact O-N 3.48Å; D16-Q19 PolarHBondContact O-N 3.04Å; D16-D20 WeakPolarHBondContact O-CB 3.38Å; D16-D20 PolarHBondContact O-N 3.22Å
17M98.3Very high97.7Very high22 Ų2261 Ų6111%0.10832%0.32CS..Hα-helixtrans-73-32.4178.4-167.1-179.6-65.300111.4M13 S14 E15 D20 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.39Å; M13-M17 HydrophobicContact CB-SD 4.09Å; M13-M17 HydrophobicContact CE-CB 4.38Å; M13-M17 HydrophobicContact CE-CG 3.61Å; M13-M17 HydrophobicContact CE-SD 3.42Å; M13-M17 WeakPolarHBondContact CE-SD 3.47Å; M13-M17 HydrophobicContact SD-CB 3.95Å; M13-M17 HydrophobicContact SD-CG 3.78Å; M13-M17 HydrophobicContact SD-SD 4.22Å; S14-M17 PolarHBondContact O-N 2.89Å; S14-M17 WeakPolarHBondContact OG-CB 3.44Å; S14-M17 PolarHBondContact OG-N 3.3Å; E15-M17 VanDerWaalsContact C-N 3.32Å; E15-M17 PolarHBondContact O-N 3.02Å; M17-D20 PolarHBondContact O-N 3.25Å; M17-A21 WeakPolarHBondContact O-CB 3.28Å; M17-A21 PolarHBondContact O-N 3.5Å; M17-F46 HydrophobicContact CG-CE1 4.1Å; M17-Y50 HydrophobicContact CE-CD1 3.62Å; M17-Y50 HydrophobicContact CE-CE1 3.7Å; M17-Y50 HydrophobicContact CE-CG 4.16Å; M17-Y50 HydrophobicContact CG-CE1 4.32Å; M17-Y50 HydrophobicContact CG-CE2 4.16Å; M17-W54 HydrophobicContact SD-CH2 3.83Å; M17-W54 HydrophobicContact SD-CZ2 4.25Å
18Q98.4Very high97.8Very high38 Ų3857.8 Ų57.818%0.17830%0.3CS..Hα-helixtrans-64.1-45.9173.1-65.5176.943.200111.1I8 A11 M13 S14 E15 D20 A21 V22 I74I8-Q18 HydrophobicContact CD1-CB 4.26Å; A11-Q18 HydrophobicContact CB-CG 4.14Å; M13-Q18 HydrophobicContact CG-CG 3.54Å; M13-Q18 PolarHBondContact O-NE2 3.3Å; M13-Q18 HydrophobicContact SD-CB 4.3Å; M13-Q18 HydrophobicContact SD-CG 3.67Å; S14-Q18 WeakPolarHBondContact O-CG 3.33Å; S14-Q18 PolarHBondContact O-N 2.96Å; E15-Q18 WeakPolarHBondContact O-CB 3.5Å; E15-Q18 PolarHBondContact O-N 3.18Å; E15-Q18 VanDerWaalsContact O-N 3.16Å; Q18-D20 VanDerWaalsContact C-N 3.32Å; Q18-D20 PolarHBondContact O-N 3.35Å; Q18-A21 WeakPolarHBondContact O-CB 3.45Å; Q18-A21 PolarHBondContact O-N 3.36Å; Q18-V22 WeakPolarHBondContact O-CG2 3.47Å; Q18-V22 PolarHBondContact O-N 2.93Å; Q18-I74 HydrophobicContact CB-CD1 3.91Å; Q18-I74 HydrophobicContact CG-CD1 3.94Å
19Q97.7Very high97.7Very high105 Ų10556 Ų5649%0.49129%0.292SS..Hα-helixtrans-61.8-43.6177-172.758.952.100110.9E15 D16 A21 V22 D23E15-Q19 PolarHBondContact O-N 3.45Å; D16-Q19 PolarHBondContact O-N 3.04Å; Q19-A21 VanDerWaalsContact C-N 3.3Å; Q19-A21 PolarHBondContact O-N 3.43Å; Q19-V22 PolarHBondContact O-N 3.22Å; Q19-V22 VanDerWaalsContact O-N 3.16Å; Q19-D23 PolarHBondContact NE2-OD1 2.92Å; Q19-D23 WeakPolarHBondContact O-CB 3.43Å; Q19-D23 VanDerWaalsContact O-CG 3.24Å; Q19-D23 PolarHBondContact O-N 3.11Å
20D98Very high97.6Very high34 Ų3455.9 Ų55.918%0.18229%0.293CS..Hα-helixtrans-62.7-35.5176.8-165.651.4000112.8D16 M17 Q18 C24 K49 Y50D16-D20 WeakPolarHBondContact O-CB 3.38Å; D16-D20 PolarHBondContact O-N 3.22Å; M17-D20 PolarHBondContact O-N 3.25Å; Q18-D20 VanDerWaalsContact C-N 3.32Å; Q18-D20 PolarHBondContact O-N 3.35Å; D20-C24 WeakPolarHBondContact O-CB 3.31Å; D20-C24 PolarHBondContact O-N 3.36Å; D20-K49 IonicContact OD1-NZ 2.75Å; D20-K49 PolarHBondContact OD1-NZ 3.04Å; D20-K49 VanDerWaalsContact OD2-CD 3.29Å; D20-K49 WeakPolarHBondContact OD2-CD 3.28Å; D20-K49 VanDerWaalsContact OD2-CE 3.22Å; D20-K49 WeakPolarHBondContact OD2-CE 3.31Å; D20-K49 IonicContact OD2-NZ 2.74Å; D20-K49 PolarHBondContact OD2-NZ 3.17Å; D20-Y50 WeakPolarHBondContact OD2-CE2 3.48Å; D20-Y50 VanDerWaalsContact OD2-CZ 3.25Å; D20-Y50 PolarHBondContact OD2-OH 3.17Å
21A98.5Very high97.5Very high0 Ų057.7 Ų57.70%030%0.296CS..Hα-helixtrans-65.5-42.217400000111.8M17 Q18 Q19 A25 F46 I74 F76 L85M17-A21 WeakPolarHBondContact O-CB 3.28Å; M17-A21 PolarHBondContact O-N 3.5Å; Q18-A21 WeakPolarHBondContact O-CB 3.45Å; Q18-A21 PolarHBondContact O-N 3.36Å; Q19-A21 VanDerWaalsContact C-N 3.3Å; Q19-A21 PolarHBondContact O-N 3.43Å; A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.3Å; A21-A25 PolarHBondContact O-N 2.85Å; A21-F46 VanDerWaalsContact CA-CZ 3.46Å; A21-F46 HydrophobicContact CB-CE1 4.36Å; A21-F46 HydrophobicContact CB-CE2 4.23Å; A21-F46 HydrophobicContact CB-CZ 3.59Å; A21-I74 HydrophobicContact CB-CD1 4.14Å; A21-I74 HydrophobicContact CB-CG2 3.98Å; A21-F76 HydrophobicContact CB-CE1 4.29Å; A21-L85 HydrophobicContact CB-CD2 4Å
22V98Very high97.5Very high14 Ų1459.5 Ų59.59%0.08530%0.297CS..Hα-helixtrans-65.1-45.6176.3168.60000111.1A6 Q18 Q19 A25 T26 F76A6-V22 HydrophobicContact CB-CB 4.31Å; A6-V22 HydrophobicContact CB-CG1 3.57Å; A6-V22 HydrophobicContact CB-CG2 3.68Å; Q18-V22 WeakPolarHBondContact O-CG2 3.47Å; Q18-V22 PolarHBondContact O-N 2.93Å; Q19-V22 PolarHBondContact O-N 3.22Å; Q19-V22 VanDerWaalsContact O-N 3.16Å; V22-A25 PolarHBondContact O-N 3.5Å; V22-T26 WeakPolarHBondContact O-CB 3.29Å; V22-T26 PolarHBondContact O-N 3.32Å; V22-T26 PolarHBondContact O-OG1 3.16Å; V22-F76 HydrophobicContact CG2-CD2 4.07Å; V22-F76 HydrophobicContact CG2-CE2 3.96Å; V22-F76 HydrophobicContact CG2-CZ 4.36Å
23D97.6Very high97.3Very high66 Ų6664.5 Ų64.535%0.35332%0.324SS..Hα-helixtrans-65.6-43.9179.9-67.3-14.4000110.9Q19 T26 Q27Q19-D23 PolarHBondContact NE2-OD1 2.92Å; Q19-D23 WeakPolarHBondContact O-CB 3.43Å; Q19-D23 VanDerWaalsContact O-CG 3.24Å; Q19-D23 PolarHBondContact O-N 3.11Å; D23-T26 PolarHBondContact O-N 3.38Å; D23-Q27 WeakPolarHBondContact O-CG 3.31Å; D23-Q27 PolarHBondContact O-N 2.91Å
24C98.2Very high97.2Very high9 Ų968.5 Ų68.56%0.06134%0.344CS..Hα-helixtrans-61.5-44.8176-174.10000111.5D20 Q27 A28 F46D20-C24 WeakPolarHBondContact O-CB 3.31Å; D20-C24 PolarHBondContact O-N 3.36Å; C24-Q27 PolarHBondContact O-N 3.38Å; C24-A28 WeakPolarHBondContact O-CB 3.4Å; C24-A28 PolarHBondContact O-N 2.86Å; C24-F46 HydrophobicContact CB-CE2 4.02Å
25A98.1Very high97.2Very high0 Ų069.1 Ų69.10%034%0.34CS..Hα-helixtrans-67.2-36.1177.200000112.6A21 V22 A28 L29 I42 F76 L78 I83A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.3Å; A21-A25 PolarHBondContact O-N 2.85Å; V22-A25 PolarHBondContact O-N 3.5Å; A25-A28 WeakPolarHBondContact O-CB 3.22Å; A25-A28 PolarHBondContact O-N 2.95Å; A25-L29 WeakPolarHBondContact O-CB 3.44Å; A25-L29 VanDerWaalsContact O-CG 3.28Å; A25-L29 WeakPolarHBondContact O-CG 3.14Å; A25-L29 PolarHBondContact O-N 3.16Å; A25-I42 HydrophobicContact CB-CD1 3.7Å; A25-I42 HydrophobicContact CB-CG1 4.37Å; A25-F76 HydrophobicContact CB-CE2 3.9Å; A25-F76 HydrophobicContact CB-CZ 3.6Å; A25-L78 HydrophobicContact CB-CD1 3.67Å; A25-I83 HydrophobicContact CB-CG1 4.45Å
26T96.9Very high97.3Very high48 Ų4868.4 Ų68.429%0.29433%0.334SS..Hα-helixtrans-62.3-48.9174.8-58.20000110.4V22 D23 A28 L29 E30V22-T26 WeakPolarHBondContact O-CB 3.29Å; V22-T26 PolarHBondContact O-N 3.32Å; V22-T26 PolarHBondContact O-OG1 3.16Å; D23-T26 PolarHBondContact O-N 3.38Å; T26-A28 VanDerWaalsContact C-N 3.3Å; T26-A28 PolarHBondContact O-N 3.02Å; T26-L29 PolarHBondContact O-N 3.23Å; T26-E30 WeakPolarHBondContact O-CG 3.11Å; T26-E30 PolarHBondContact O-N 3.04Å; T26-E30 VanDerWaalsContact O-N 3.11Å
27Q96.6Very high97.3Very high112 Ų11264 Ų6452%0.52331%0.311SS..Hα-helixtrans-60.2-39.7175-69.3172.840.400112.3D23 C24 L29 E30 K31 F41D23-Q27 WeakPolarHBondContact O-CG 3.31Å; D23-Q27 PolarHBondContact O-N 2.91Å; C24-Q27 PolarHBondContact O-N 3.38Å; Q27-L29 PolarHBondContact O-N 2.75Å; Q27-E30 PolarHBondContact O-N 2.91Å; Q27-K31 PolarHBondContact O-N 2.84Å; Q27-F41 HydrophobicContact CB-CE1 4.48Å
28A97.7Very high97.3Very high0 Ų063 Ų630%031%0.306CS..Hα-helixtrans-62.6-42.3177.800000111.9C24 A25 T26 E30 K31 Y32 I38 F41 I42C24-A28 WeakPolarHBondContact O-CB 3.4Å; C24-A28 PolarHBondContact O-N 2.86Å; A25-A28 WeakPolarHBondContact O-CB 3.22Å; A25-A28 PolarHBondContact O-N 2.95Å; T26-A28 VanDerWaalsContact C-N 3.3Å; T26-A28 PolarHBondContact O-N 3.02Å; A28-E30 VanDerWaalsContact C-N 3.33Å; A28-E30 PolarHBondContact O-N 3.11Å; A28-K31 PolarHBondContact O-N 3.44Å; A28-Y32 WeakPolarHBondContact O-CD2 3.39Å; A28-Y32 PolarHBondContact O-N 2.89Å; A28-I38 HydrophobicContact CB-CB 4.48Å; A28-I38 HydrophobicContact CB-CG2 3.72Å; A28-F41 HydrophobicContact CB-CB 4.34Å; A28-F41 HydrophobicContact CB-CD1 3.51Å; A28-F41 HydrophobicContact CB-CE1 4.13Å; A28-F41 HydrophobicContact CB-CG 4.2Å; A28-I42 HydrophobicContact CB-CD1 4.26Å; A28-I42 HydrophobicContact CB-CG1 3.89Å
29L95.6Very high97.3Very high36 Ų3661.8 Ų61.819%0.18830%0.303CS..Hα-helixtrans-68.6-29.1178.5-74.4166.2000113.3A25 T26 Q27 K31 I38 L78 Q81A25-L29 WeakPolarHBondContact O-CB 3.44Å; A25-L29 VanDerWaalsContact O-CG 3.28Å; A25-L29 WeakPolarHBondContact O-CG 3.14Å; A25-L29 PolarHBondContact O-N 3.16Å; T26-L29 PolarHBondContact O-N 3.23Å; Q27-L29 PolarHBondContact O-N 2.75Å; L29-K31 VanDerWaalsContact C-N 3.34Å; L29-I38 HydrophobicContact CD2-CD1 3.66Å; L29-I38 HydrophobicContact CD2-CG1 4.47Å; L29-I38 HydrophobicContact CD2-CG2 4.36Å; L29-I38 HydrophobicContact CG-CG2 4.41Å; L29-L78 HydrophobicContact CD1-CB 3.69Å; L29-L78 HydrophobicContact CD1-CD1 3.59Å; L29-L78 HydrophobicContact CD1-CG 4.28Å; L29-Q81 HydrophobicContact CD2-CG 4.45Å; L29-Q81 VanDerWaalsContact CD2-NE2 3.28Å; L29-Q81 VanDerWaalsContact CD2-OE1 3.25Å
30E94.8Very high97.3Very high123 Ų12358.6 Ų58.658%0.57529%0.294SS*.Hα-helixtrans-72.7-30.4173.8-68.8179.4167.300112.2M1 T26 Q27 A28M1-E30 HydrophobicContact CE-CG 3.79Å; M1-E30 WeakPolarHBondContact CE-OE1 3.37Å; T26-E30 WeakPolarHBondContact O-CG 3.11Å; T26-E30 PolarHBondContact O-N 3.04Å; T26-E30 VanDerWaalsContact O-N 3.11Å; Q27-E30 PolarHBondContact O-N 2.91Å; A28-E30 VanDerWaalsContact C-N 3.33Å; A28-E30 PolarHBondContact O-N 3.11Å
31K96Very high97.4Very high134 Ų13458.5 Ų58.558%0.58329%0.292SS*.Hα-helixtrans-93.8-30.8-174.3-172.5172.7178.1-170.80114Q27 A28 L29Q27-K31 PolarHBondContact O-N 2.84Å; A28-K31 PolarHBondContact O-N 3.44Å; L29-K31 VanDerWaalsContact C-N 3.34Å
32Y97Very high97.4Very high68 Ų6858.5 Ų58.527%0.26729%0.292SS..  trans-128.6140.2-170.8-57.2-75000111.7A28 D37 F41A28-Y32 WeakPolarHBondContact O-CD2 3.39Å; A28-Y32 PolarHBondContact O-N 2.89Å; Y32-D37 HydrophobicContact CD1-CB 3.8Å; Y32-D37 HydrophobicContact CE1-CB 4.46Å; Y32-D37 HydrophobicContact CG-CB 4Å; Y32-F41 HydrophobicContact CD2-CB 4.17Å; Y32-F41 HydrophobicContact CD2-CG 4.47Å; Y32-F41 HydrophobicContact CE2-CB 3.7Å; Y32-F41 AromaticContact CE2-CD2 3.62Å; Y32-F41 HydrophobicContact CE2-CD2 3.62Å; Y32-F41 HydrophobicContact CE2-CE2 4.45Å; Y32-F41 AromaticContact CE2-CG 3.78Å; Y32-F41 HydrophobicContact CE2-CG 3.78Å
33N94.5Very high97.4Very high164 Ų16460.7 Ų60.788%0.87730%0.3SS*.SBendtrans-102.6-7.5177.5-68.4-49.4000113.5
34I96.8Very high97.5Very high100 Ų10064.2 Ų64.251%0.51331%0.313SS..SBendtrans-107.1124.4-176.5-58.5177.1000108.5K36 D37 I38I34-K36 HydrophobicContact CG2-CB 4.1Å; I34-K36 PolarHBondContact O-N 2.82Å; I34-K36 VanDerWaalsContact O-N 3.16Å; I34-D37 HydrophobicContact CB-CB 4.42Å; I34-D37 PolarHBondContact O-N 2.85Å; I34-I38 WeakPolarHBondContact O-CG1 3.41Å; I34-I38 PolarHBondContact O-N 2.74Å; I34-I38 VanDerWaalsContact O-N 3.08Å
35E97.7Very high97.5Very high79 Ų7967.5 Ų67.537%0.36933%0.327SS..Hα-helixtrans-50.4-42.5-177.8-65.7174.1158.100112.5D37 I38 A39 V58 G59 R60E35-D37 VanDerWaalsContact C-N 3.32Å; E35-D37 PolarHBondContact O-N 3.06Å; E35-I38 PolarHBondContact O-N 2.75Å; E35-A39 WeakPolarHBondContact O-CB 3.37Å; E35-A39 PolarHBondContact O-N 3.41Å; E35-V58 HydrophobicContact CB-CB 4.33Å; E35-V58 HydrophobicContact CB-CG1 4.25Å; E35-V58 HydrophobicContact CG-CG1 4.28Å; E35-G59 WeakPolarHBondContact OE1-CA 3.3Å; E35-R60 PolarHBondContact OE1-N 3.42Å
36K98.1Very high97.5Very high146 Ų14667.6 Ų67.664%0.63533%0.327SS*.Hα-helixtrans-57-42.4175.4-175.1-172.964.261.10112.9I34 A40I34-K36 HydrophobicContact CG2-CB 4.1Å; I34-K36 PolarHBondContact O-N 2.82Å; I34-K36 VanDerWaalsContact O-N 3.16Å; K36-A40 VanDerWaalsContact O-CB 3.3Å; K36-A40 WeakPolarHBondContact O-CB 3.45Å; K36-A40 PolarHBondContact O-N 2.95Å
37D98.3Very high97.6Very high47 Ų4766.7 Ų66.725%0.25132%0.321SS..Hα-helixtrans-77.4-35.7-175.9-63.7-25.4000111.2Y32 I34 E35 A40 F41Y32-D37 HydrophobicContact CD1-CB 3.8Å; Y32-D37 HydrophobicContact CE1-CB 4.46Å; Y32-D37 HydrophobicContact CG-CB 4Å; I34-D37 HydrophobicContact CB-CB 4.42Å; I34-D37 PolarHBondContact O-N 2.85Å; E35-D37 VanDerWaalsContact C-N 3.32Å; E35-D37 PolarHBondContact O-N 3.06Å; D37-A40 PolarHBondContact O-N 2.95Å; D37-F41 WeakPolarHBondContact O-CB 3.47Å; D37-F41 PolarHBondContact O-N 3.21Å
38I98.4Very high97.7Very high0 Ų069.4 Ų69.40%033%0.331CS..Hα-helixtrans-59.4-52.5170.8-60.5161.3000109.5A28 L29 I34 E35 A40 F41 I42 V58A28-I38 HydrophobicContact CB-CB 4.48Å; A28-I38 HydrophobicContact CB-CG2 3.72Å; L29-I38 HydrophobicContact CD2-CD1 3.66Å; L29-I38 HydrophobicContact CD2-CG1 4.47Å; L29-I38 HydrophobicContact CD2-CG2 4.36Å; L29-I38 HydrophobicContact CG-CG2 4.41Å; I34-I38 WeakPolarHBondContact O-CG1 3.41Å; I34-I38 PolarHBondContact O-N 2.74Å; I34-I38 VanDerWaalsContact O-N 3.08Å; E35-I38 PolarHBondContact O-N 2.75Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.49Å; I38-F41 PolarHBondContact O-N 2.58Å; I38-I42 HydrophobicContact CG2-CD1 3.92Å; I38-I42 WeakPolarHBondContact O-CG1 3.38Å; I38-I42 PolarHBondContact O-N 2.93Å; I38-I42 VanDerWaalsContact O-N 3.09Å; I38-V58 HydrophobicContact CB-CG1 4.49Å; I38-V58 HydrophobicContact CB-CG2 4.36Å; I38-V58 HydrophobicContact CG2-CG1 4.22Å; I38-V58 HydrophobicContact CG2-CG2 3.91Å
39A98.7Very high97.7Very high13 Ų1375.1 Ų75.111%0.10736%0.356CS..Hα-helixtrans-59.2-43.4178.600000112.1E35 F41 I42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.37Å; E35-A39 PolarHBondContact O-N 3.41Å; A39-F41 VanDerWaalsContact C-N 3.34Å; A39-F41 PolarHBondContact O-N 3.06Å; A39-I42 PolarHBondContact O-N 3.08Å; A39-K43 VanDerWaalsContact O-CB 3.28Å; A39-K43 WeakPolarHBondContact O-CB 3.48Å; A39-K43 PolarHBondContact O-N 2.87Å; A39-C56 HydrophobicContact CB-CB 4.26Å; A39-C56 WeakPolarHBondContact O-CB 3.38Å; A39-V58 HydrophobicContact CB-CB 4.3Å; A39-V58 HydrophobicContact CB-CG2 3.82Å
40A98.7Very high97.8Very high37 Ų3775.7 Ų75.731%0.30636%0.356SS..Hα-helixtrans-64.7-36.4178.600000112.8K36 D37 I38 K44K36-A40 VanDerWaalsContact O-CB 3.3Å; K36-A40 WeakPolarHBondContact O-CB 3.45Å; K36-A40 PolarHBondContact O-N 2.95Å; D37-A40 PolarHBondContact O-N 2.95Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.49Å; A40-K44 WeakPolarHBondContact O-CB 3.49Å; A40-K44 VanDerWaalsContact O-CG 3.23Å; A40-K44 WeakPolarHBondContact O-CG 3.29Å; A40-K44 PolarHBondContact O-N 3.09Å; A40-K44 VanDerWaalsContact O-N 3.17Å
41F98.7Very high97.9Very high32 Ų3275.3 Ų75.314%0.1436%0.357CS..Hα-helixtrans-64.6-53.4175.5178-90.2000111.1Q27 A28 Y32 D37 I38 A39 K43 K44 E45Q27-F41 HydrophobicContact CB-CE1 4.48Å; A28-F41 HydrophobicContact CB-CB 4.34Å; A28-F41 HydrophobicContact CB-CD1 3.51Å; A28-F41 HydrophobicContact CB-CE1 4.13Å; A28-F41 HydrophobicContact CB-CG 4.2Å; Y32-F41 HydrophobicContact CD2-CB 4.17Å; Y32-F41 HydrophobicContact CD2-CG 4.47Å; Y32-F41 HydrophobicContact CE2-CB 3.7Å; Y32-F41 AromaticContact CE2-CD2 3.62Å; Y32-F41 HydrophobicContact CE2-CD2 3.62Å; Y32-F41 HydrophobicContact CE2-CE2 4.45Å; Y32-F41 AromaticContact CE2-CG 3.78Å; Y32-F41 HydrophobicContact CE2-CG 3.78Å; D37-F41 WeakPolarHBondContact O-CB 3.47Å; D37-F41 PolarHBondContact O-N 3.21Å; I38-F41 PolarHBondContact O-N 2.58Å; A39-F41 VanDerWaalsContact C-N 3.34Å; A39-F41 PolarHBondContact O-N 3.06Å; F41-K43 VanDerWaalsContact C-N 3.34Å; F41-K43 PolarHBondContact O-N 3.39Å; F41-K44 PolarHBondContact O-N 3.38Å; F41-E45 HydrophobicContact CD1-CG 4.37Å; F41-E45 HydrophobicContact CE1-CG 4Å; F41-E45 HydrophobicContact CE2-CG 4.33Å; F41-E45 HydrophobicContact CZ-CG 3.98Å; F41-E45 PolarHBondContact O-N 2.84Å
42I98.7Very high98Very high1 Ų172.7 Ų72.71%0.00535%0.354CS..Hα-helixtrans-58.8-47.8-178.2-61.2164.4000110.4A25 A28 I38 A39 K44 E45 F46 V58 I83 L85A25-I42 HydrophobicContact CB-CD1 3.7Å; A25-I42 HydrophobicContact CB-CG1 4.37Å; A28-I42 HydrophobicContact CB-CD1 4.26Å; A28-I42 HydrophobicContact CB-CG1 3.89Å; I38-I42 HydrophobicContact CG2-CD1 3.92Å; I38-I42 WeakPolarHBondContact O-CG1 3.38Å; I38-I42 PolarHBondContact O-N 2.93Å; I38-I42 VanDerWaalsContact O-N 3.09Å; A39-I42 PolarHBondContact O-N 3.08Å; I42-K44 VanDerWaalsContact C-N 3.34Å; I42-K44 PolarHBondContact O-N 3.16Å; I42-E45 PolarHBondContact O-N 2.8Å; I42-F46 HydrophobicContact CG2-CD2 4.18Å; I42-F46 WeakPolarHBondContact O-CB 3.42Å; I42-F46 PolarHBondContact O-N 2.87Å; I42-V58 HydrophobicContact CD1-CG2 4.35Å; I42-I83 HydrophobicContact CD1-CG2 4.1Å; I42-L85 HydrophobicContact CG2-CD1 3.98Å; I42-L85 HydrophobicContact CG2-CD2 3.83Å; I42-L85 HydrophobicContact CG2-CG 4.45Å
43K98.7Very high98.1Very high60 Ų6072.1 Ų72.126%0.26136%0.358SS..Hα-helixtrans-54-49.2177-172.4-153.1-179.3-46.50111.9A39 F41 F46 D47 W54 C56A39-K43 VanDerWaalsContact O-CB 3.28Å; A39-K43 WeakPolarHBondContact O-CB 3.48Å; A39-K43 PolarHBondContact O-N 2.87Å; F41-K43 VanDerWaalsContact C-N 3.34Å; F41-K43 PolarHBondContact O-N 3.39Å; K43-F46 PolarHBondContact O-N 2.78Å; K43-D47 IonicContact NZ-OD1 3.64Å; K43-D47 PolarHBondContact NZ-OD1 2.99Å; K43-D47 IonicContact NZ-OD2 2.78Å; K43-D47 PolarHBondContact NZ-OD2 3.3Å; K43-D47 WeakPolarHBondContact O-CB 3.43Å; K43-D47 VanDerWaalsContact O-CG 3.29Å; K43-D47 PolarHBondContact O-N 3.38Å; K43-W54 WeakPolarHBondContact CE-O 3.28Å; K43-W54 HydrophobicContact CG-CB 4.31Å; K43-W54 WeakPolarHBondContact CG-O 3.47Å; K43-W54 PolarHBondContact NZ-O 3.46Å; K43-C56 HydrophobicContact CB-CB 4.07Å
44K98.5Very high98.3Very high140 Ų14064.3 Ų64.361%0.60932%0.316SS*.Hα-helixtrans-66-40.8-176.8-77.1174.9-179.8-179.30112.5A40 F41 I42 K48A40-K44 WeakPolarHBondContact O-CB 3.49Å; A40-K44 VanDerWaalsContact O-CG 3.23Å; A40-K44 WeakPolarHBondContact O-CG 3.29Å; A40-K44 PolarHBondContact O-N 3.09Å; A40-K44 VanDerWaalsContact O-N 3.17Å; F41-K44 PolarHBondContact O-N 3.38Å; I42-K44 VanDerWaalsContact C-N 3.34Å; I42-K44 PolarHBondContact O-N 3.16Å; K44-K48 WeakPolarHBondContact O-CB 3.35Å; K44-K48 PolarHBondContact O-N 2.89Å
45E98.6Very high98.3Very high77 Ų7762.6 Ų62.636%0.3631%0.306SS..Hα-helixtrans-65.4-41.6176.7-70.9-56.112800111F41 I42 K48 K49F41-E45 HydrophobicContact CD1-CG 4.37Å; F41-E45 HydrophobicContact CE1-CG 4Å; F41-E45 HydrophobicContact CE2-CG 4.33Å; F41-E45 HydrophobicContact CZ-CG 3.98Å; F41-E45 PolarHBondContact O-N 2.84Å; I42-E45 PolarHBondContact O-N 2.8Å; E45-K48 PolarHBondContact O-N 3Å; E45-K49 VanDerWaalsContact O-CB 3.31Å; E45-K49 WeakPolarHBondContact O-CB 3.41Å; E45-K49 PolarHBondContact O-N 2.9Å
46F98.6Very high98.4Very high2 Ų259.9 Ų59.91%0.00930%0.296CS..Hα-helixtrans-69.1-40.3176.8-92.1-107.6000113.2M17 A21 C24 I42 K43 K48 K49 Y50 W54 L85M17-F46 HydrophobicContact CG-CE1 4.1Å; A21-F46 VanDerWaalsContact CA-CZ 3.46Å; A21-F46 HydrophobicContact CB-CE1 4.36Å; A21-F46 HydrophobicContact CB-CE2 4.23Å; A21-F46 HydrophobicContact CB-CZ 3.59Å; C24-F46 HydrophobicContact CB-CE2 4.02Å; I42-F46 HydrophobicContact CG2-CD2 4.18Å; I42-F46 WeakPolarHBondContact O-CB 3.42Å; I42-F46 PolarHBondContact O-N 2.87Å; K43-F46 PolarHBondContact O-N 2.78Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.01Å; F46-K49 PolarHBondContact O-N 3.35Å; F46-Y50 AromaticContact CD1-CD2 3.47Å; F46-Y50 HydrophobicContact CD1-CD2 3.47Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.47Å; F46-Y50 AromaticContact CD1-CE2 3.89Å; F46-Y50 HydrophobicContact CD1-CE2 3.89Å; F46-Y50 AromaticContact CE1-CD2 3.67Å; F46-Y50 HydrophobicContact CE1-CD2 3.67Å; F46-Y50 AromaticContact CE1-CE2 3.61Å; F46-Y50 HydrophobicContact CE1-CE2 3.61Å; F46-Y50 HydrophobicContact CE2-CE2 4.48Å; F46-Y50 HydrophobicContact CG-CD2 4.04Å; F46-Y50 HydrophobicContact CG-CE2 4.44Å; F46-Y50 HydrophobicContact CZ-CD2 4.35Å; F46-Y50 AromaticContact CZ-CE2 3.91Å; F46-Y50 HydrophobicContact CZ-CE2 3.91Å; F46-Y50 WeakPolarHBondContact O-CA 3.23Å; F46-Y50 PolarHBondContact O-N 3.39Å; F46-W54 VanDerWaalsContact C-CD1 3.42Å; F46-W54 HydrophobicContact CB-CB 4.15Å; F46-W54 HydrophobicContact CB-CD2 3.71Å; F46-W54 HydrophobicContact CB-CE3 4.26Å; F46-W54 HydrophobicContact CB-CG 3.64Å; F46-W54 AromaticContact CD1-CD2 3.78Å; F46-W54 HydrophobicContact CD1-CD2 3.78Å; F46-W54 AromaticContact CD1-CE2 3.73Å; F46-W54 AromaticContact CD1-CE3 3.73Å; F46-W54 HydrophobicContact CD1-CE3 3.73Å; F46-W54 AromaticContact CD1-CH2 3.57Å; F46-W54 HydrophobicContact CD1-CH2 3.57Å; F46-W54 AromaticContact CD1-CZ2 3.63Å; F46-W54 HydrophobicContact CD1-CZ2 3.63Å; F46-W54 AromaticContact CD1-CZ3 3.63Å; F46-W54 HydrophobicContact CD1-CZ3 3.63Å; F46-W54 AromaticContact CE1-CH2 3.93Å; F46-W54 HydrophobicContact CE1-CH2 3.93Å; F46-W54 HydrophobicContact CE1-CZ2 4.3Å; F46-W54 HydrophobicContact CE1-CZ3 4.1Å; F46-W54 HydrophobicContact CG-CD2 4.21Å; F46-W54 HydrophobicContact CG-CE3 4.35Å; F46-W54 PolarHBondContact O-NE1 3.4Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.39Å; F46-L85 HydrophobicContact CD2-CD2 3.88Å; F46-L85 HydrophobicContact CE1-CD2 3.58Å; F46-L85 HydrophobicContact CE2-CD2 3.81Å; F46-L85 HydrophobicContact CG-CD1 4.39Å; F46-L85 HydrophobicContact CG-CD2 3.82Å; F46-L85 HydrophobicContact CZ-CD2 3.68Å
47D98.5Very high98.4Very high30 Ų3056 Ų5616%0.1628%0.281CS..Hα-helixtrans-56.3-43170.9-78.2-25.7000111.3K43 N51 P52 W54K43-D47 IonicContact NZ-OD1 3.64Å; K43-D47 PolarHBondContact NZ-OD1 2.99Å; K43-D47 IonicContact NZ-OD2 2.78Å; K43-D47 PolarHBondContact NZ-OD2 3.3Å; K43-D47 WeakPolarHBondContact O-CB 3.43Å; K43-D47 VanDerWaalsContact O-CG 3.29Å; K43-D47 PolarHBondContact O-N 3.38Å; D47-N51 CarbonylContact O-C 3.57Å; D47-N51 WeakPolarHBondContact O-CA 3.42Å; D47-N51 PolarHBondContact O-N 2.99Å; D47-P52 HydrophobicContact CB-CG 4.23Å; D47-P52 WeakPolarHBondContact O-CD 3.44Å; D47-W54 WeakPolarHBondContact OD1-CB 3.42Å; D47-W54 PolarHBondContact OD1-N 3.47Å
48K98.3Very high98.4Very high168 Ų16854.3 Ų54.373%0.7327%0.272SS*.Hα-helixtrans-70.7-40.9-179.1-177.1-176.6174.6-169.10112.4K44 E45 F46K44-K48 WeakPolarHBondContact O-CB 3.35Å; K44-K48 PolarHBondContact O-N 2.89Å; E45-K48 PolarHBondContact O-N 3Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.01Å
49K98.3Very high98.4Very high121 Ų12154.6 Ų54.653%0.52628%0.275SS..Hα-helixtrans-87.3-37.1-172.8-172.2170.4176.8179.90113.5D20 E45 F46D20-K49 IonicContact OD1-NZ 2.75Å; D20-K49 PolarHBondContact OD1-NZ 3.04Å; D20-K49 VanDerWaalsContact OD2-CD 3.29Å; D20-K49 WeakPolarHBondContact OD2-CD 3.28Å; D20-K49 VanDerWaalsContact OD2-CE 3.22Å; D20-K49 WeakPolarHBondContact OD2-CE 3.31Å; D20-K49 IonicContact OD2-NZ 2.74Å; D20-K49 PolarHBondContact OD2-NZ 3.17Å; E45-K49 VanDerWaalsContact O-CB 3.31Å; E45-K49 WeakPolarHBondContact O-CB 3.41Å; E45-K49 PolarHBondContact O-N 2.9Å; F46-K49 PolarHBondContact O-N 3.35Å
50Y98.1Very high98.3Very high47 Ų4761.7 Ų61.718%0.18430%0.299CS..Hα-helixtrans-118.514.7-172.1-59.6-67.7000113.9M17 D20 F46 W54M17-Y50 HydrophobicContact CE-CD1 3.62Å; M17-Y50 HydrophobicContact CE-CE1 3.7Å; M17-Y50 HydrophobicContact CE-CG 4.16Å; M17-Y50 HydrophobicContact CG-CE1 4.32Å; M17-Y50 HydrophobicContact CG-CE2 4.16Å; D20-Y50 WeakPolarHBondContact OD2-CE2 3.48Å; D20-Y50 VanDerWaalsContact OD2-CZ 3.25Å; D20-Y50 PolarHBondContact OD2-OH 3.17Å; F46-Y50 AromaticContact CD1-CD2 3.47Å; F46-Y50 HydrophobicContact CD1-CD2 3.47Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.47Å; F46-Y50 AromaticContact CD1-CE2 3.89Å; F46-Y50 HydrophobicContact CD1-CE2 3.89Å; F46-Y50 AromaticContact CE1-CD2 3.67Å; F46-Y50 HydrophobicContact CE1-CD2 3.67Å; F46-Y50 AromaticContact CE1-CE2 3.61Å; F46-Y50 HydrophobicContact CE1-CE2 3.61Å; F46-Y50 HydrophobicContact CE2-CE2 4.48Å; F46-Y50 HydrophobicContact CG-CD2 4.04Å; F46-Y50 HydrophobicContact CG-CE2 4.44Å; F46-Y50 HydrophobicContact CZ-CD2 4.35Å; F46-Y50 AromaticContact CZ-CE2 3.91Å; F46-Y50 HydrophobicContact CZ-CE2 3.91Å; F46-Y50 WeakPolarHBondContact O-CA 3.23Å; F46-Y50 PolarHBondContact O-N 3.39Å; Y50-W54 HydrophobicContact CD2-CZ2 4.28Å; Y50-W54 HydrophobicContact CG-CZ2 4.19Å
51N97.3Very high98.1Very high115 Ų11567.5 Ų67.562%0.61533%0.325SS*.  trans66.6146.3-174.8-48.5-73.9000113.5D47 W54D47-N51 CarbonylContact O-C 3.57Å; D47-N51 WeakPolarHBondContact O-CA 3.42Å; D47-N51 PolarHBondContact O-N 2.99Å; N51-W54 PolarHBondContact O-NE1 2.96Å
52P97.9Very high98Very high79 Ų7968.5 Ų68.551%0.51333%0.33SS..SBendtrans-62.3160.8175.1-21.433.7000113.2D47 K87D47-P52 HydrophobicContact CB-CG 4.23Å; D47-P52 WeakPolarHBondContact O-CD 3.44Å; P52-K87 WeakPolarHBondContact O-CE 3.47Å
53T97.8Very high97.9Very high56 Ų5672.2 Ų72.234%0.34437%0.368SS..  cis-115.41125.3-56.70000111.9K87 S88T53-K87 WeakPolarHBondContact O-CA 3.45Å; T53-K87 VanDerWaalsContact O-CG 3.3Å; T53-K87 WeakPolarHBondContact O-CG 3.17Å; T53-S88 PolarHBondContact O-N 2.78Å
54W98.7Very high97.8Very high0 Ų072.2 Ų72.20%038%0.376CS..EExtended strand (participates in β ladder)trans-86.1150.4173.6-68.482.5000111.8M13 M17 K43 F46 D47 Y50 N51 H72 L85 F86 K87M13-W54 HydrophobicContact CE-CH2 3.92Å; M13-W54 HydrophobicContact CE-CZ3 4.11Å; M17-W54 HydrophobicContact SD-CH2 3.83Å; M17-W54 HydrophobicContact SD-CZ2 4.25Å; K43-W54 WeakPolarHBondContact CE-O 3.28Å; K43-W54 HydrophobicContact CG-CB 4.31Å; K43-W54 WeakPolarHBondContact CG-O 3.47Å; K43-W54 PolarHBondContact NZ-O 3.46Å; F46-W54 VanDerWaalsContact C-CD1 3.42Å; F46-W54 HydrophobicContact CB-CB 4.15Å; F46-W54 HydrophobicContact CB-CD2 3.71Å; F46-W54 HydrophobicContact CB-CE3 4.26Å; F46-W54 HydrophobicContact CB-CG 3.64Å; F46-W54 AromaticContact CD1-CD2 3.78Å; F46-W54 HydrophobicContact CD1-CD2 3.78Å; F46-W54 AromaticContact CD1-CE2 3.73Å; F46-W54 AromaticContact CD1-CE3 3.73Å; F46-W54 HydrophobicContact CD1-CE3 3.73Å; F46-W54 AromaticContact CD1-CH2 3.57Å; F46-W54 HydrophobicContact CD1-CH2 3.57Å; F46-W54 AromaticContact CD1-CZ2 3.63Å; F46-W54 HydrophobicContact CD1-CZ2 3.63Å; F46-W54 AromaticContact CD1-CZ3 3.63Å; F46-W54 HydrophobicContact CD1-CZ3 3.63Å; F46-W54 AromaticContact CE1-CH2 3.93Å; F46-W54 HydrophobicContact CE1-CH2 3.93Å; F46-W54 HydrophobicContact CE1-CZ2 4.3Å; F46-W54 HydrophobicContact CE1-CZ3 4.1Å; F46-W54 HydrophobicContact CG-CD2 4.21Å; F46-W54 HydrophobicContact CG-CE3 4.35Å; F46-W54 PolarHBondContact O-NE1 3.4Å; D47-W54 WeakPolarHBondContact OD1-CB 3.42Å; D47-W54 PolarHBondContact OD1-N 3.47Å; Y50-W54 HydrophobicContact CD2-CZ2 4.28Å; Y50-W54 HydrophobicContact CG-CZ2 4.19Å; N51-W54 PolarHBondContact O-NE1 2.96Å; W54-H72 HydrophobicContact CH2-CB 3.88Å; W54-H72 AromaticContact CH2-CD2 3.92Å; W54-H72 HydrophobicContact CZ2-CB 4.35Å; W54-H72 AromaticContact CZ2-CD2 3.7Å; W54-H72 HydrophobicContact CZ3-CB 4.33Å; W54-L85 HydrophobicContact CB-CD1 4.45Å; W54-L85 HydrophobicContact CD2-CD1 4.48Å; W54-L85 HydrophobicContact CE3-CD1 3.69Å; W54-L85 HydrophobicContact CE3-CD2 4.38Å; W54-L85 HydrophobicContact CE3-CG 3.73Å; W54-L85 HydrophobicContact CZ3-CD1 4.37Å; W54-L85 HydrophobicContact CZ3-CD2 4.34Å; W54-L85 HydrophobicContact CZ3-CG 3.9Å; W54-F86 CarbonylContact C-O 3.54Å; W54-F86 WeakPolarHBondContact CA-O 3.47Å; W54-K87 HydrophobicContact CD2-CB 4.08Å; W54-K87 HydrophobicContact CD2-CG 4.36Å; W54-K87 HydrophobicContact CE3-CB 4.18Å; W54-K87 HydrophobicContact CG-CG 4.48Å; W54-K87 HydrophobicContact CZ2-CB 4.43Å; W54-K87 HydrophobicContact CZ2-CD 4.48Å; W54-K87 HydrophobicContact CZ3-CB 4.41Å
55H98.7Very high97.7Very high64 Ų6476.5 Ų76.530%0.29639%0.39SS..EExtended strand (participates in β ladder)trans-127.3136.3175.1-58.2-84.3000107.9L85 F86 S88H55-L85 WeakPolarHBondContact O-CA 3.34Å; H55-F86 HydrophobicContact CB-CD1 4.07Å; H55-F86 HydrophobicContact CB-CD2 4.24Å; H55-F86 HydrophobicContact CB-CE1 3.61Å; H55-F86 HydrophobicContact CB-CE2 3.79Å; H55-F86 HydrophobicContact CB-CG 4.37Å; H55-F86 HydrophobicContact CB-CZ 3.45Å; H55-F86 VanDerWaalsContact CB-CZ 3.45Å; H55-F86 AromaticContact CD2-CE2 3.72Å; H55-F86 AromaticContact CG-CE2 3.88Å; H55-F86 AromaticContact CG-CZ 3.9Å; H55-F86 PolarHBondContact N-O 2.97Å; H55-F86 PolarHBondContact O-N 2.78Å; H55-S88 PolarHBondContact NE2-O 3.46Å
56C98.7Very high97.6Very high23 Ų2375.1 Ų75.116%0.15539%0.387CS..EExtended strand (participates in β ladder)trans-134.1134.9179.9-171.20000110.3A39 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.26Å; A39-C56 WeakPolarHBondContact O-CB 3.38Å; K43-C56 HydrophobicContact CB-CB 4.07Å; C56-L84 CarbonylContact C-O 2.86Å; C56-L84 VanDerWaalsContact CA-O 3.29Å; C56-L84 WeakPolarHBondContact CA-O 3.07Å; C56-L85 HydrophobicContact CB-CD1 4.01Å
57I98.5Very high97.6Very high64 Ų6480.5 Ų80.533%0.32842%0.42SS..EExtended strand (participates in β ladder)trans-124.2132172.7-50-177.9000107.3F62 I83 L84I57-F62 HydrophobicContact CG2-CD1 4.49Å; I57-F62 HydrophobicContact CG2-CD2 4.23Å; I57-F62 HydrophobicContact CG2-CE1 4.38Å; I57-F62 HydrophobicContact CG2-CE2 4.13Å; I57-F62 HydrophobicContact CG2-CG 4.4Å; I57-F62 HydrophobicContact CG2-CZ 4.2Å; I57-I83 WeakPolarHBondContact O-CA 3.2Å; I57-L84 HydrophobicContact CB-CB 4.22Å; I57-L84 HydrophobicContact CD1-CD2 3.92Å; I57-L84 HydrophobicContact CG1-CD2 4.39Å; I57-L84 PolarHBondContact N-O 3.5Å; I57-L84 PolarHBondContact O-N 2.62Å
58V98.5Very high97.5Very high12 Ų1282.1 Ų82.17%0.07343%0.426CS..EExtended strand (participates in β ladder)trans-125.5133.7173.9179.40000107.4E35 I38 A39 I42 Q81 A82 I83E35-V58 HydrophobicContact CB-CB 4.33Å; E35-V58 HydrophobicContact CB-CG1 4.25Å; E35-V58 HydrophobicContact CG-CG1 4.28Å; I38-V58 HydrophobicContact CB-CG1 4.49Å; I38-V58 HydrophobicContact CB-CG2 4.36Å; I38-V58 HydrophobicContact CG2-CG1 4.22Å; I38-V58 HydrophobicContact CG2-CG2 3.91Å; A39-V58 HydrophobicContact CB-CB 4.3Å; A39-V58 HydrophobicContact CB-CG2 3.82Å; I42-V58 HydrophobicContact CD1-CG2 4.35Å; V58-Q81 VanDerWaalsContact CG1-OE1 3.29Å; V58-A82 WeakPolarHBondContact CA-O 3.44Å; V58-I83 HydrophobicContact CG2-CG1 4.18Å; V58-I83 HydrophobicContact CG2-CG2 4.35Å
59G97.7Very high97.5Very high6 Ų676.6 Ų76.66%0.06240%0.403CS..EExtended strand (participates in β ladder)trans-175157.9179.300000113.3E35 A82E35-G59 WeakPolarHBondContact OE1-CA 3.3Å; G59-A82 PolarHBondContact N-O 2.81Å; G59-A82 WeakPolarHBondContact O-CB 3.34Å; G59-A82 PolarHBondContact O-N 3.02Å
60R96Very high97.4Very high161 Ų16176 Ų7661%0.60841%0.41SS*.SBendtrans-82.4-26.9173.1-60.3-174.7-172.9-177.41113.6E35E35-R60 PolarHBondContact OE1-N 3.42Å
61N94.8Very high97.4Very high159 Ų15980.5 Ų80.585%0.8543%0.43SS*.SBendtrans-147.4105.7-178.4-176.120.8000110.4
62F97.4Very high97.4Very high53 Ų5377.1 Ų77.123%0.23241%0.41CS..  trans-153.9153.1172.565.2-88000110.7I57 Y75 A82 L84I57-F62 HydrophobicContact CG2-CD1 4.49Å; I57-F62 HydrophobicContact CG2-CD2 4.23Å; I57-F62 HydrophobicContact CG2-CE1 4.38Å; I57-F62 HydrophobicContact CG2-CE2 4.13Å; I57-F62 HydrophobicContact CG2-CG 4.4Å; I57-F62 HydrophobicContact CG2-CZ 4.2Å; F62-Y75 HydrophobicContact CE2-CE2 4.34Å; F62-Y75 AromaticContact CZ-CE2 3.95Å; F62-Y75 HydrophobicContact CZ-CE2 3.95Å; F62-A82 HydrophobicContact CD1-CB 4.4Å; F62-A82 HydrophobicContact CE1-CB 3.43Å; F62-A82 VanDerWaalsContact CE1-CB 3.43Å; F62-A82 HydrophobicContact CZ-CB 3.81Å; F62-L84 HydrophobicContact CE2-CB 4.11Å; F62-L84 HydrophobicContact CE2-CD2 4.48Å; F62-L84 HydrophobicContact CZ-CB 4.12Å
63G96.5Very high97.5Very high79 Ų7974.3 Ų74.381%0.81439%0.39SS*.  trans-109.7150.2162.100000109.1
64S96.4Very high97.5Very high60 Ų6071.6 Ų71.642%0.4237%0.374SS..  trans-141.2148.8177.666.90000110.9L84S64-L84 WeakPolarHBondContact OG-CD2 3.42Å
65Y96.7Very high97.5Very high230 Ų23074 Ų7490%0.90238%0.383SS*.  trans-136.5101.8171.1-166.3-84000106.9
66V97.1Very high97.5Very high49 Ų4971 Ų7130%0.29737%0.369SS..  trans-130.2147.4-169.9-59.30000110.8F73 L84 F86V66-F73 HydrophobicContact CG2-CE2 4.02Å; V66-L84 HydrophobicContact CG1-CD2 4.5Å; V66-L84 HydrophobicContact CG2-CD2 4.36Å; V66-F86 HydrophobicContact CB-CE1 4.21Å; V66-F86 HydrophobicContact CB-CE2 4.02Å; V66-F86 HydrophobicContact CB-CZ 3.85Å; V66-F86 HydrophobicContact CG1-CE1 3.96Å; V66-F86 HydrophobicContact CG1-CE2 4.4Å; V66-F86 HydrophobicContact CG1-CZ 3.73Å; V66-F86 HydrophobicContact CG2-CD1 4.16Å; V66-F86 HydrophobicContact CG2-CD2 4.38Å; V66-F86 HydrophobicContact CG2-CE1 4.1Å; V66-F86 HydrophobicContact CG2-CE2 4.32Å; V66-F86 HydrophobicContact CG2-CG 4.3Å; V66-F86 HydrophobicContact CG2-CZ 4.18Å
67T97.3Very high97.4Very high115 Ų11573.1 Ų73.171%0.70638%0.375SS*.  trans-98.7139.4167.5-55.40000108.3
68H97.3Very high97.3Very high64 Ų6470.2 Ų70.230%0.29636%0.359SS..  trans-137.2157.8-17960.3-90000111.4D12 F73 F86 K87D12-H68 IonicContact OD2-NE2 3.87Å; H68-F73 HydrophobicContact CB-CB 4.36Å; H68-F73 HydrophobicContact CB-CD2 4.25Å; H68-F73 WeakPolarHBondContact CD2-CB 3.1Å; H68-F73 AromaticContact CE1-CD2 3.64Å; H68-F73 AromaticContact CE1-CG 3.68Å; H68-F73 AromaticContact CG-CD2 3.72Å; H68-F73 AromaticContact ND1-CD2 3.35Å; H68-F73 VanDerWaalsContact ND1-CD2 3.35Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.39Å; H68-F73 AromaticContact ND1-CG 3.82Å; H68-F73 WeakPolarHBondContact NE2-CB 3.19Å; H68-F73 AromaticContact NE2-CG 3.81Å; H68-F86 HydrophobicContact CB-CB 3.91Å; H68-F86 HydrophobicContact CB-CD2 3.99Å; H68-F86 HydrophobicContact CB-CG 4.36Å; H68-K87 CarbonylContact C-O 3.49Å; H68-K87 VanDerWaalsContact CA-O 3.25Å; H68-K87 WeakPolarHBondContact CA-O 3.3Å; H68-K87 WeakPolarHBondContact CB-O 3Å
69E97.3Very high97Very high52 Ų5271.9 Ų71.924%0.24338%0.379CS..  trans-67.1140.1169-70.2173.5-130.500110.9K71 H72 K87 G89E69-K71 PolarHBondContact O-N 3.37Å; E69-H72 PolarHBondContact O-N 3.39Å; E69-K87 PolarHBondContact N-O 2.86Å; E69-K87 WeakPolarHBondContact OE1-CE 3.25Å; E69-K87 WeakPolarHBondContact OE1-CG 3.47Å; E69-K87 IonicContact OE1-NZ 3.5Å; E69-K87 WeakPolarHBondContact OE2-CD 3.49Å; E69-K87 WeakPolarHBondContact OE2-CE 3.43Å; E69-K87 IonicContact OE2-NZ 2.62Å; E69-K87 PolarHBondContact OE2-NZ 2.76Å; E69-G89 PolarHBondContact OE1-N 2.76Å
70T96.9Very high96.8Very high108 Ų10878.6 Ų78.666%0.66341%0.409SS*.THydrogen-bonded Turntrans-54.4139.6179.3-42.90000111.5H72T70-H72 VanDerWaalsContact C-N 3.27Å; T70-H72 PolarHBondContact O-CE1 3.49Å; T70-H72 PolarHBondContact O-N 3.26Å; T70-H72 PolarHBondContact O-ND1 2.81Å
71K97.5Very high96.8Very high142 Ų14272.7 Ų72.762%0.61739%0.389SS*.THydrogen-bonded Turntrans65.618.6-179.9-54.1-174.2178.1179.20115.6D12 M13 E69D12-K71 VanDerWaalsContact CG-N 3.34Å; D12-K71 CarbonylContact O-C 3.34Å; D12-K71 WeakPolarHBondContact O-CA 3.43Å; D12-K71 PolarHBondContact OD1-N 2.99Å; D12-K71 PolarHBondContact OD2-N 2.91Å; M13-K71 WeakPolarHBondContact CA-O 3.42Å; M13-K71 VanDerWaalsContact CB-O 3.29Å; M13-K71 WeakPolarHBondContact CB-O 3.33Å; E69-K71 PolarHBondContact O-N 3.37Å
72H98.3Very high96.9Very high43 Ų4365.1 Ų65.120%0.19935%0.348CS..  trans-134.147.6179.7-58.288000112.8D12 W54 E69 T70 F86 K87D12-H72 PolarHBondContact O-N 2.95Å; W54-H72 HydrophobicContact CH2-CB 3.88Å; W54-H72 AromaticContact CH2-CD2 3.92Å; W54-H72 HydrophobicContact CZ2-CB 4.35Å; W54-H72 AromaticContact CZ2-CD2 3.7Å; W54-H72 HydrophobicContact CZ3-CB 4.33Å; E69-H72 PolarHBondContact O-N 3.39Å; T70-H72 VanDerWaalsContact C-N 3.27Å; T70-H72 PolarHBondContact O-CE1 3.49Å; T70-H72 PolarHBondContact O-N 3.26Å; T70-H72 PolarHBondContact O-ND1 2.81Å; H72-F86 CarbonylContact O-C 3.57Å; H72-F86 WeakPolarHBondContact O-CA 3.41Å; H72-K87 HydrophobicContact CB-CB 3.46Å; H72-K87 VanDerWaalsContact CB-CB 3.46Å; H72-K87 HydrophobicContact CB-CD 4.29Å; H72-K87 PolarHBondContact O-N 3.5Å
73F98.6Very high97Very high20 Ų2062.6 Ų62.69%0.08834%0.337CS..EExtended strand (participates in β ladder)trans-138.9136178.4174.8-81.2000112.2N10 A11 D12 M13 V66 H68 L84 F86N10-F73 HydrophobicContact CB-CE1 4.16Å; A11-F73 CarbonylContact C-O 3.46Å; A11-F73 WeakPolarHBondContact CA-O 3.29Å; D12-F73 CarbonylContact C-O 3.57Å; D12-F73 HydrophobicContact CB-CB 4.35Å; D12-F73 PolarHBondContact N-O 2.92Å; D12-F73 PolarHBondContact O-N 2.9Å; M13-F73 WeakPolarHBondContact CG-O 3.37Å; V66-F73 HydrophobicContact CG2-CE2 4.02Å; H68-F73 HydrophobicContact CB-CB 4.36Å; H68-F73 HydrophobicContact CB-CD2 4.25Å; H68-F73 WeakPolarHBondContact CD2-CB 3.1Å; H68-F73 AromaticContact CE1-CD2 3.64Å; H68-F73 AromaticContact CE1-CG 3.68Å; H68-F73 AromaticContact CG-CD2 3.72Å; H68-F73 AromaticContact ND1-CD2 3.35Å; H68-F73 VanDerWaalsContact ND1-CD2 3.35Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.39Å; H68-F73 AromaticContact ND1-CG 3.82Å; H68-F73 WeakPolarHBondContact NE2-CB 3.19Å; H68-F73 AromaticContact NE2-CG 3.81Å; F73-L84 HydrophobicContact CD2-CD1 4.45Å; F73-L84 HydrophobicContact CE2-CD1 3.52Å; F73-L84 HydrophobicContact CZ-CD1 3.56Å; F73-F86 HydrophobicContact CB-CB 4.36Å; F73-F86 HydrophobicContact CD2-CB 3.66Å; F73-F86 HydrophobicContact CD2-CG 4.49Å; F73-F86 HydrophobicContact CE2-CB 4.46Å; F73-F86 HydrophobicContact CG-CB 4.41Å
74I98.7Very high97.1Very high0 Ų058.9 Ų58.90%030%0.298CS..EExtended strand (participates in β ladder)trans-147140.3170.1-167.5180000111.3I8 A11 M13 Q18 A21 F76 L85I8-I74 HydrophobicContact CD1-CD1 4.46Å; I8-I74 HydrophobicContact CG2-CG1 4.43Å; A11-I74 HydrophobicContact CB-CB 4.5Å; A11-I74 HydrophobicContact CB-CG1 4.05Å; M13-I74 HydrophobicContact CE-CB 4.25Å; M13-I74 HydrophobicContact CE-CG2 4.09Å; M13-I74 HydrophobicContact CG-CB 4.41Å; M13-I74 HydrophobicContact SD-CB 3.83Å; M13-I74 HydrophobicContact SD-CD1 4.25Å; M13-I74 HydrophobicContact SD-CG2 4.05Å; Q18-I74 HydrophobicContact CB-CD1 3.91Å; Q18-I74 HydrophobicContact CG-CD1 3.94Å; A21-I74 HydrophobicContact CB-CD1 4.14Å; A21-I74 HydrophobicContact CB-CG2 3.98Å; I74-F76 HydrophobicContact CD1-CD1 3.78Å; I74-F76 HydrophobicContact CD1-CE1 4.17Å; I74-F76 HydrophobicContact CD1-CG 4.5Å; I74-F76 HydrophobicContact CG1-CD1 3.84Å; I74-F76 HydrophobicContact CG1-CE1 4.46Å; I74-F76 HydrophobicContact CG2-CD1 4.24Å; I74-F76 HydrophobicContact CG2-CE1 4.14Å; I74-L85 HydrophobicContact CG2-CB 3.81Å; I74-L85 HydrophobicContact CG2-CD2 4.2Å; I74-L85 HydrophobicContact CG2-CG 4.37Å; I74-L85 PolarHBondContact N-O 2.92Å; I74-L85 PolarHBondContact O-N 2.98Å
75Y98.6Very high97.2Very high49 Ų4956.1 Ų56.119%0.19228%0.279CS..EExtended strand (participates in β ladder)trans-130.7119.1172.1177.9-125.7000109.8K9 N10 F62 Y77 A82 I83 L84K9-Y75 HydrophobicContact CB-CD1 3.54Å; K9-Y75 HydrophobicContact CB-CE1 3.87Å; K9-Y75 HydrophobicContact CB-CG 4.44Å; K9-Y75 HydrophobicContact CG-CD1 4.22Å; K9-Y75 HydrophobicContact CG-CE1 4.09Å; K9-Y75 PolarHBondContact N-O 3.24Å; N10-Y75 PolarHBondContact N-O 2.83Å; N10-Y75 VanDerWaalsContact N-O 3.11Å; N10-Y75 PolarHBondContact O-N 2.84Å; F62-Y75 HydrophobicContact CE2-CE2 4.34Å; F62-Y75 AromaticContact CZ-CE2 3.95Å; F62-Y75 HydrophobicContact CZ-CE2 3.95Å; Y75-Y77 HydrophobicContact CE1-CE2 4.2Å; Y75-Y77 AromaticContact CZ-CE2 3.77Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.3Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.35Å; Y75-Y77 PolarHBondContact OH-OH 3.03Å; Y75-Y77 VanDerWaalsContact OH-OH 3.06Å; Y75-A82 HydrophobicContact CE2-CB 3.81Å; Y75-I83 WeakPolarHBondContact CA-O 3.48Å; Y75-I83 WeakPolarHBondContact CD2-O 3.4Å; Y75-L84 HydrophobicContact CD2-CB 4.12Å; Y75-L84 HydrophobicContact CD2-CD1 4.1Å; Y75-L84 HydrophobicContact CG-CD1 4.31Å
76F98.3Very high97.3Very high1 Ų146 Ų460%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-149163.6-175.766.4-79.8000112.2A6 V7 I8 A21 V22 A25 I74 L78 I83A6-F76 HydrophobicContact CB-CD2 4.45Å; V7-F76 CarbonylContact O-C 3.54Å; V7-F76 VanDerWaalsContact O-CA 3.31Å; V7-F76 WeakPolarHBondContact O-CA 3.42Å; I8-F76 HydrophobicContact CB-CB 4.38Å; I8-F76 HydrophobicContact CG1-CB 4.11Å; A21-F76 HydrophobicContact CB-CE1 4.29Å; V22-F76 HydrophobicContact CG2-CD2 4.07Å; V22-F76 HydrophobicContact CG2-CE2 3.96Å; V22-F76 HydrophobicContact CG2-CZ 4.36Å; A25-F76 HydrophobicContact CB-CE2 3.9Å; A25-F76 HydrophobicContact CB-CZ 3.6Å; I74-F76 HydrophobicContact CD1-CD1 3.78Å; I74-F76 HydrophobicContact CD1-CE1 4.17Å; I74-F76 HydrophobicContact CD1-CG 4.5Å; I74-F76 HydrophobicContact CG1-CD1 3.84Å; I74-F76 HydrophobicContact CG1-CE1 4.46Å; I74-F76 HydrophobicContact CG2-CD1 4.24Å; I74-F76 HydrophobicContact CG2-CE1 4.14Å; F76-L78 HydrophobicContact CD2-CG 4.13Å; F76-L78 HydrophobicContact CE2-CD1 3.8Å; F76-L78 HydrophobicContact CE2-CG 3.85Å; F76-I83 HydrophobicContact CD1-CB 4.26Å; F76-I83 HydrophobicContact CD2-CD1 4.21Å; F76-I83 HydrophobicContact CE1-CB 3.87Å; F76-I83 HydrophobicContact CE1-CG2 3.79Å; F76-I83 HydrophobicContact CE2-CB 4.19Å; F76-I83 HydrophobicContact CE2-CD1 3.89Å; F76-I83 HydrophobicContact CE2-CG1 4.38Å; F76-I83 HydrophobicContact CZ-CB 3.84Å; F76-I83 HydrophobicContact CZ-CD1 4.34Å; F76-I83 HydrophobicContact CZ-CG1 4.33Å; F76-I83 HydrophobicContact CZ-CG2 3.86Å; F76-I83 PolarHBondContact N-O 2.8Å; F76-I83 PolarHBondContact O-N 3.36Å
77Y97.5Very high97.3Very high69 Ų6945 Ų4527%0.27123%0.231SC..EExtended strand (participates in β ladder)trans-109.7138173.1-78.9-100.3000111.1A6 V7 K9 Y75 Q81 A82A6-Y77 WeakPolarHBondContact CA-O 3.31Å; V7-Y77 PolarHBondContact N-O 3.37Å; V7-Y77 PolarHBondContact O-N 3.29Å; K9-Y77 HydrophobicContact CD-CD2 4.5Å; K9-Y77 HydrophobicContact CG-CD2 3.8Å; K9-Y77 HydrophobicContact CG-CE2 4.03Å; Y75-Y77 HydrophobicContact CE1-CE2 4.2Å; Y75-Y77 AromaticContact CZ-CE2 3.77Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.3Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.35Å; Y75-Y77 PolarHBondContact OH-OH 3.03Å; Y75-Y77 VanDerWaalsContact OH-OH 3.06Å; Y77-Q81 CarbonylContact C-O 3.6Å; Y77-Q81 VanDerWaalsContact CA-O 3.31Å; Y77-Q81 WeakPolarHBondContact CA-O 3.34Å; Y77-A82 HydrophobicContact CD1-CB 3.97Å; Y77-A82 HydrophobicContact CD2-CB 4.45Å; Y77-A82 HydrophobicContact CE1-CB 3.54Å; Y77-A82 HydrophobicContact CE2-CB 4.08Å; Y77-A82 HydrophobicContact CG-CB 4.41Å
78L95.7Very high97.3Very high2 Ų241.7 Ų41.71%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-116.9107.3161.2-75.9173.1000108Q4 A6 A25 L29 F76 Q80 Q81 I83Q4-L78 WeakPolarHBondContact O-CD2 3.16Å; A6-L78 HydrophobicContact CB-CD2 3.76Å; A25-L78 HydrophobicContact CB-CD1 3.67Å; L29-L78 HydrophobicContact CD1-CB 3.69Å; L29-L78 HydrophobicContact CD1-CD1 3.59Å; L29-L78 HydrophobicContact CD1-CG 4.28Å; F76-L78 HydrophobicContact CD2-CG 4.13Å; F76-L78 HydrophobicContact CE2-CD1 3.8Å; F76-L78 HydrophobicContact CE2-CG 3.85Å; L78-Q80 PolarHBondContact O-N 2.84Å; L78-Q81 PolarHBondContact N-O 3.5Å; L78-Q81 PolarHBondContact O-N 3.37Å; L78-I83 HydrophobicContact CB-CD1 3.95Å; L78-I83 HydrophobicContact CD1-CD1 4.21Å; L78-I83 HydrophobicContact CG-CD1 4.16Å
79G92.8Very high97.1Very high48 Ų4843.9 Ų43.950%0.49525%0.253SS..THydrogen-bonded Turntrans59.8-118.7-171.600000111.6
80Q93.2Very high97.1Very high146 Ų14643.5 Ų43.568%0.68225%0.253SS*.THydrogen-bonded Turntrans-95.5-1.1177.9-62.4-176.711.800113.6L78L78-Q80 PolarHBondContact O-N 2.84Å
81Q95.3Very high97.1Very high38 Ų3840.1 Ų40.118%0.17823%0.232CC..EExtended strand (participates in β ladder)trans-96.9124.9-179.5-59.1-163.233.100109.5L29 V58 Y77 L78 I83L29-Q81 HydrophobicContact CD2-CG 4.45Å; L29-Q81 VanDerWaalsContact CD2-NE2 3.28Å; L29-Q81 VanDerWaalsContact CD2-OE1 3.25Å; V58-Q81 VanDerWaalsContact CG1-OE1 3.29Å; Y77-Q81 CarbonylContact C-O 3.6Å; Y77-Q81 VanDerWaalsContact CA-O 3.31Å; Y77-Q81 WeakPolarHBondContact CA-O 3.34Å; L78-Q81 PolarHBondContact N-O 3.5Å; L78-Q81 PolarHBondContact O-N 3.37Å; Q81-I83 WeakPolarHBondContact O-CD1 3.42Å
82A97.9Very high97Very high0 Ų034.4 Ų34.40%021%0.21CC..EExtended strand (participates in β ladder)trans-85.7137.7166.600000109.4V58 G59 F62 Y75 Y77V58-A82 WeakPolarHBondContact CA-O 3.44Å; G59-A82 PolarHBondContact N-O 2.81Å; G59-A82 WeakPolarHBondContact O-CB 3.34Å; G59-A82 PolarHBondContact O-N 3.02Å; F62-A82 HydrophobicContact CD1-CB 4.4Å; F62-A82 HydrophobicContact CE1-CB 3.43Å; F62-A82 VanDerWaalsContact CE1-CB 3.43Å; F62-A82 HydrophobicContact CZ-CB 3.81Å; Y75-A82 HydrophobicContact CE2-CB 3.81Å; Y77-A82 HydrophobicContact CD1-CB 3.97Å; Y77-A82 HydrophobicContact CD2-CB 4.45Å; Y77-A82 HydrophobicContact CE1-CB 3.54Å; Y77-A82 HydrophobicContact CE2-CB 4.08Å; Y77-A82 HydrophobicContact CG-CB 4.41Å
83I98.5Very high97Very high0 Ų033.9 Ų33.90%021%0.211CC..EExtended strand (participates in β ladder)trans-123.2120.8176.4-57.194.2000107.5A25 I42 I57 V58 Y75 F76 L78 Q81A25-I83 HydrophobicContact CB-CG1 4.45Å; I42-I83 HydrophobicContact CD1-CG2 4.1Å; I57-I83 WeakPolarHBondContact O-CA 3.2Å; V58-I83 HydrophobicContact CG2-CG1 4.18Å; V58-I83 HydrophobicContact CG2-CG2 4.35Å; Y75-I83 WeakPolarHBondContact CA-O 3.48Å; Y75-I83 WeakPolarHBondContact CD2-O 3.4Å; F76-I83 HydrophobicContact CD1-CB 4.26Å; F76-I83 HydrophobicContact CD2-CD1 4.21Å; F76-I83 HydrophobicContact CE1-CB 3.87Å; F76-I83 HydrophobicContact CE1-CG2 3.79Å; F76-I83 HydrophobicContact CE2-CB 4.19Å; F76-I83 HydrophobicContact CE2-CD1 3.89Å; F76-I83 HydrophobicContact CE2-CG1 4.38Å; F76-I83 HydrophobicContact CZ-CB 3.84Å; F76-I83 HydrophobicContact CZ-CD1 4.34Å; F76-I83 HydrophobicContact CZ-CG1 4.33Å; F76-I83 HydrophobicContact CZ-CG2 3.86Å; F76-I83 PolarHBondContact N-O 2.8Å; F76-I83 PolarHBondContact O-N 3.36Å; L78-I83 HydrophobicContact CB-CD1 3.95Å; L78-I83 HydrophobicContact CD1-CD1 4.21Å; L78-I83 HydrophobicContact CG-CD1 4.16Å; Q81-I83 WeakPolarHBondContact O-CD1 3.42Å
84L98.7Very high96.9Very high1 Ų134.8 Ų34.81%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-110.4122.8170.2178.971.8000107.9C56 I57 F62 S64 V66 F73 Y75 F86C56-L84 CarbonylContact C-O 2.86Å; C56-L84 VanDerWaalsContact CA-O 3.29Å; C56-L84 WeakPolarHBondContact CA-O 3.07Å; I57-L84 HydrophobicContact CB-CB 4.22Å; I57-L84 HydrophobicContact CD1-CD2 3.92Å; I57-L84 HydrophobicContact CG1-CD2 4.39Å; I57-L84 PolarHBondContact N-O 3.5Å; I57-L84 PolarHBondContact O-N 2.62Å; F62-L84 HydrophobicContact CE2-CB 4.11Å; F62-L84 HydrophobicContact CE2-CD2 4.48Å; F62-L84 HydrophobicContact CZ-CB 4.12Å; S64-L84 WeakPolarHBondContact OG-CD2 3.42Å; V66-L84 HydrophobicContact CG1-CD2 4.5Å; V66-L84 HydrophobicContact CG2-CD2 4.36Å; F73-L84 HydrophobicContact CD2-CD1 4.45Å; F73-L84 HydrophobicContact CE2-CD1 3.52Å; F73-L84 HydrophobicContact CZ-CD1 3.56Å; Y75-L84 HydrophobicContact CD2-CB 4.12Å; Y75-L84 HydrophobicContact CD2-CD1 4.1Å; Y75-L84 HydrophobicContact CG-CD1 4.31Å; L84-F86 HydrophobicContact CD2-CD1 4.13Å; L84-F86 HydrophobicContact CD2-CE1 4.04Å; L84-F86 HydrophobicContact CG-CD1 4.01Å; L84-F86 HydrophobicContact CG-CE1 4.37Å
85L98.8Very high96.7Very high1 Ų137.1 Ų37.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-132.4123.6-179.9175.666.6000108.7A21 I42 F46 W54 H55 C56 I74A21-L85 HydrophobicContact CB-CD2 4Å; I42-L85 HydrophobicContact CG2-CD1 3.98Å; I42-L85 HydrophobicContact CG2-CD2 3.83Å; I42-L85 HydrophobicContact CG2-CG 4.45Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.39Å; F46-L85 HydrophobicContact CD2-CD2 3.88Å; F46-L85 HydrophobicContact CE1-CD2 3.58Å; F46-L85 HydrophobicContact CE2-CD2 3.81Å; F46-L85 HydrophobicContact CG-CD1 4.39Å; F46-L85 HydrophobicContact CG-CD2 3.82Å; F46-L85 HydrophobicContact CZ-CD2 3.68Å; W54-L85 HydrophobicContact CB-CD1 4.45Å; W54-L85 HydrophobicContact CD2-CD1 4.48Å; W54-L85 HydrophobicContact CE3-CD1 3.69Å; W54-L85 HydrophobicContact CE3-CD2 4.38Å; W54-L85 HydrophobicContact CE3-CG 3.73Å; W54-L85 HydrophobicContact CZ3-CD1 4.37Å; W54-L85 HydrophobicContact CZ3-CD2 4.34Å; W54-L85 HydrophobicContact CZ3-CG 3.9Å; H55-L85 WeakPolarHBondContact O-CA 3.34Å; C56-L85 HydrophobicContact CB-CD1 4.01Å; I74-L85 HydrophobicContact CG2-CB 3.81Å; I74-L85 HydrophobicContact CG2-CD2 4.2Å; I74-L85 HydrophobicContact CG2-CG 4.37Å; I74-L85 PolarHBondContact N-O 2.92Å; I74-L85 PolarHBondContact O-N 2.98Å
86F98.7Very high96.6Very high17 Ų1736.3 Ų36.38%0.07524%0.236CC..EExtended strand (participates in β ladder)trans-151.1155.5-178.567.3-82.2000112.2W54 H55 V66 H68 H72 F73 L84W54-F86 CarbonylContact C-O 3.54Å; W54-F86 WeakPolarHBondContact CA-O 3.47Å; H55-F86 HydrophobicContact CB-CD1 4.07Å; H55-F86 HydrophobicContact CB-CD2 4.24Å; H55-F86 HydrophobicContact CB-CE1 3.61Å; H55-F86 HydrophobicContact CB-CE2 3.79Å; H55-F86 HydrophobicContact CB-CG 4.37Å; H55-F86 HydrophobicContact CB-CZ 3.45Å; H55-F86 VanDerWaalsContact CB-CZ 3.45Å; H55-F86 AromaticContact CD2-CE2 3.72Å; H55-F86 AromaticContact CG-CE2 3.88Å; H55-F86 AromaticContact CG-CZ 3.9Å; H55-F86 PolarHBondContact N-O 2.97Å; H55-F86 PolarHBondContact O-N 2.78Å; V66-F86 HydrophobicContact CB-CE1 4.21Å; V66-F86 HydrophobicContact CB-CE2 4.02Å; V66-F86 HydrophobicContact CB-CZ 3.85Å; V66-F86 HydrophobicContact CG1-CE1 3.96Å; V66-F86 HydrophobicContact CG1-CE2 4.4Å; V66-F86 HydrophobicContact CG1-CZ 3.73Å; V66-F86 HydrophobicContact CG2-CD1 4.16Å; V66-F86 HydrophobicContact CG2-CD2 4.38Å; V66-F86 HydrophobicContact CG2-CE1 4.1Å; V66-F86 HydrophobicContact CG2-CE2 4.32Å; V66-F86 HydrophobicContact CG2-CG 4.3Å; V66-F86 HydrophobicContact CG2-CZ 4.18Å; H68-F86 HydrophobicContact CB-CB 3.91Å; H68-F86 HydrophobicContact CB-CD2 3.99Å; H68-F86 HydrophobicContact CB-CG 4.36Å; H72-F86 CarbonylContact O-C 3.57Å; H72-F86 WeakPolarHBondContact O-CA 3.41Å; F73-F86 HydrophobicContact CB-CB 4.36Å; F73-F86 HydrophobicContact CD2-CB 3.66Å; F73-F86 HydrophobicContact CD2-CG 4.49Å; F73-F86 HydrophobicContact CE2-CB 4.46Å; F73-F86 HydrophobicContact CG-CB 4.41Å; L84-F86 HydrophobicContact CD2-CD1 4.13Å; L84-F86 HydrophobicContact CD2-CE1 4.04Å; L84-F86 HydrophobicContact CG-CD1 4.01Å; L84-F86 HydrophobicContact CG-CE1 4.37Å
87K98.5Very high96.5Very high28 Ų2839 Ų3912%0.12225%0.254CS..EExtended strand (participates in β ladder)trans-101.9134.6175.2-161.6-173.9169.5-145.80110.9P52 T53 W54 H68 E69 H72P52-K87 WeakPolarHBondContact O-CE 3.47Å; T53-K87 WeakPolarHBondContact O-CA 3.45Å; T53-K87 VanDerWaalsContact O-CG 3.3Å; T53-K87 WeakPolarHBondContact O-CG 3.17Å; W54-K87 HydrophobicContact CD2-CB 4.08Å; W54-K87 HydrophobicContact CD2-CG 4.36Å; W54-K87 HydrophobicContact CE3-CB 4.18Å; W54-K87 HydrophobicContact CG-CG 4.48Å; W54-K87 HydrophobicContact CZ2-CB 4.43Å; W54-K87 HydrophobicContact CZ2-CD 4.48Å; W54-K87 HydrophobicContact CZ3-CB 4.41Å; H68-K87 CarbonylContact C-O 3.49Å; H68-K87 VanDerWaalsContact CA-O 3.25Å; H68-K87 WeakPolarHBondContact CA-O 3.3Å; H68-K87 WeakPolarHBondContact CB-O 3Å; E69-K87 PolarHBondContact N-O 2.86Å; E69-K87 WeakPolarHBondContact OE1-CE 3.25Å; E69-K87 WeakPolarHBondContact OE1-CG 3.47Å; E69-K87 IonicContact OE1-NZ 3.5Å; E69-K87 WeakPolarHBondContact OE2-CD 3.49Å; E69-K87 WeakPolarHBondContact OE2-CE 3.43Å; E69-K87 IonicContact OE2-NZ 2.62Å; E69-K87 PolarHBondContact OE2-NZ 2.76Å; H72-K87 HydrophobicContact CB-CB 3.46Å; H72-K87 VanDerWaalsContact CB-CB 3.46Å; H72-K87 HydrophobicContact CB-CD 4.29Å; H72-K87 PolarHBondContact O-N 3.5Å
88S96.9Very high96.4Very high47 Ų4736.5 Ų36.533%0.32925%0.253SS..  trans-156.9118.9175.4177.60000109.4T53 H55T53-S88 PolarHBondContact O-N 2.78Å; H55-S88 PolarHBondContact NE2-O 3.46Å
89G92Very high96.5Very high110 Ų11039.6 Ų39.6100%1.13428%0.275SS*.  trans165017800000110.1E69E69-G89 PolarHBondContact OE1-N 2.76Å

Retrieved 89 of 89 residues in 35.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).