A0A5K4F7F9_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F7F9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 91 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
1M35.3Very low71.4Confident246 Ų246107.7 Ų107.7100%1.21259%0.589SS**  0900-68.3-169.2-102.400107.3
2S43.5Very low73.5Confident111 Ų111106.6 Ų106.678%0.77658%0.582SS**  trans-87.5119.8167.848.30000106.7G4S2-G4 PolarHBondContact O-N 3.47Å
3D45Very low75.4Confident144 Ų144102.6 Ų102.677%0.7756%0.563SS**  trans-62.386.2158.2177.112.8000106.9S5D3-S5 PolarHBondContact O-N 2.78Å; D3-S5 PolarHBondContact OD1-N 2.75Å; D3-S5 PolarHBondContact OD1-OG 3.44Å
4G53.3Low77.1Confident52 Ų5299.5 Ų99.554%0.53655%0.545SS..  trans-84.78.2-177.200000112.5S2 R6S2-G4 PolarHBondContact O-N 3.47Å; G4-R6 VanDerWaalsContact C-N 3.3Å; G4-R6 PolarHBondContact O-N 2.79Å
5S59.7Low78.5Confident81 Ų8194.5 Ų94.557%0.56652%0.517SS*.  trans-7188.3-179.770.70000109.3D3 K7D3-S5 PolarHBondContact O-N 2.78Å; D3-S5 PolarHBondContact OD1-N 2.75Å; D3-S5 PolarHBondContact OD1-OG 3.44Å; S5-K7 PolarHBondContact O-N 2.82Å
6R73.6Confident79.7Confident118 Ų11892.4 Ų92.445%0.44551%0.511SS..  trans-63.992.2166.8-70.3-175.7-179.9119.15.4106.8G4 A8 A80G4-R6 VanDerWaalsContact C-N 3.3Å; G4-R6 PolarHBondContact O-N 2.79Å; R6-A8 PolarHBondContact O-N 2.81Å; R6-A80 HydrophobicContact CB-CB 3.98Å
7K87.3Confident80.7Confident171 Ų17197 Ų9774%0.74353%0.528SS*.  trans-49.4119.3-179.5-177.3176.9-179.6177.30109.5S5S5-K7 PolarHBondContact O-N 2.82Å
8A95.3Very high81.7Confident27 Ų2799.7 Ų99.722%0.22354%0.537CS..EExtended strand (participates in β ladder)trans-70.7130.5176.200000109.9R6 I24 F78 Y79R6-A8 PolarHBondContact O-N 2.81Å; A8-I24 HydrophobicContact CB-CB 4.46Å; A8-I24 HydrophobicContact CB-CD1 3.83Å; A8-I24 HydrophobicContact CB-CG1 3.82Å; A8-I24 HydrophobicContact CB-CG2 3.83Å; A8-F78 HydrophobicContact CB-CD2 4.05Å; A8-F78 HydrophobicContact CB-CE2 4.44Å; A8-Y79 CarbonylContact C-O 3.5Å; A8-Y79 VanDerWaalsContact CA-O 3.27Å; A8-Y79 WeakPolarHBondContact CA-O 3.48Å
9V97.2Very high82.6Confident62 Ų6295.7 Ų95.738%0.37651%0.514SS..EExtended strand (participates in β ladder)trans-117.999.4173.1-1790000107.7K11 F78 Y79V9-K11 HydrophobicContact CG1-CD 4.38Å; V9-F78 CarbonylContact O-C 3.59Å; V9-F78 WeakPolarHBondContact O-CA 3.38Å; V9-F78 WeakPolarHBondContact O-CB 3.47Å; V9-Y79 PolarHBondContact N-O 2.76Å; V9-Y79 PolarHBondContact O-N 2.94Å
10V97.7Very high83.4Confident47 Ų4793.5 Ų93.529%0.28550%0.501SS..EExtended strand (participates in β ladder)trans-70.5131.2178.3-178.50000109.8V13 I24 F78V10-V13 HydrophobicContact CG1-CB 3.99Å; V10-V13 HydrophobicContact CG1-CG1 4.21Å; V10-I24 HydrophobicContact CG2-CD1 4.42Å; V10-F78 HydrophobicContact CB-CB 4.37Å; V10-F78 HydrophobicContact CG2-CB 4.02Å
11K97.4Very high84Confident126 Ų12693.5 Ų93.555%0.54850%0.498SS..EExtended strand (participates in β ladder)trans-109-38.2-178.4-65.3-58.6-174.3-178.80112.1V9 Y77 Y79V9-K11 HydrophobicContact CG1-CD 4.38Å; K11-Y77 HydrophobicContact CB-CD1 3.57Å; K11-Y77 HydrophobicContact CB-CE1 3.92Å; K11-Y77 HydrophobicContact CB-CG 4.49Å; K11-Y77 HydrophobicContact CG-CD1 4.28Å; K11-Y77 HydrophobicContact CG-CE1 4.19Å; K11-Y77 PolarHBondContact N-O 2.77Å; K11-Y79 HydrophobicContact CD-CD2 4.5Å; K11-Y79 HydrophobicContact CG-CD2 3.77Å; K11-Y79 HydrophobicContact CG-CE2 4.03Å
12N97.4Very high87Confident94 Ų9483 Ų8350%0.50345%0.446SS..EExtended strand (participates in β ladder)trans-152145.4174.5-167.711.8000109.3F75 Y77N12-F75 HydrophobicContact CB-CE1 4.08Å; N12-Y77 PolarHBondContact N-O 3.41Å; N12-Y77 VanDerWaalsContact N-O 3.13Å; N12-Y77 PolarHBondContact O-N 3.38Å
13V98.1Very high89.6Confident55 Ų5577.7 Ų77.733%0.33341%0.409SS..EExtended strand (participates in β ladder)trans-154.3136.7-175.164.80000110.3V10 M15 I76V10-V13 HydrophobicContact CG1-CB 3.99Å; V10-V13 HydrophobicContact CG1-CG1 4.21Å; V13-M15 HydrophobicContact CG2-CG 3.48Å; V13-M15 VanDerWaalsContact CG2-CG 3.48Å; V13-M15 HydrophobicContact CG2-SD 4.45Å; V13-I76 HydrophobicContact CB-CG1 4.4Å; V13-I76 HydrophobicContact CG2-CB 4.39Å; V13-I76 HydrophobicContact CG2-CG1 4.12Å
14D98.3Very high92.2Very high59 Ų5972.1 Ų72.132%0.31638%0.379SS..EExtended strand (participates in β ladder)trans-138.683.1165.1176.527.9000106.6H70 K73 H74 F75D14-H70 IonicContact OD2-NE2 3.91Å; D14-K73 VanDerWaalsContact CG-N 3.32Å; D14-K73 CarbonylContact O-C 3.5Å; D14-K73 WeakPolarHBondContact O-CA 3.27Å; D14-K73 WeakPolarHBondContact OD1-CA 3.4Å; D14-K73 PolarHBondContact OD1-N 3.35Å; D14-K73 PolarHBondContact OD2-N 3.46Å; D14-H74 PolarHBondContact O-N 2.81Å; D14-F75 CarbonylContact C-O 2.86Å; D14-F75 HydrophobicContact CB-CB 4.34Å; D14-F75 PolarHBondContact N-O 3.07Å; D14-F75 PolarHBondContact O-N 2.89Å
15M98Very high94.2Very high24 Ų2472.9 Ų72.912%0.11837%0.371CS..SBendtrans-167.9175.5174.355.8176.155.200109.4V13 M19 Q20 W56 K73 I76V13-M15 HydrophobicContact CG2-CG 3.48Å; V13-M15 VanDerWaalsContact CG2-CG 3.48Å; V13-M15 HydrophobicContact CG2-SD 4.45Å; M15-M19 HydrophobicContact CB-CB 4.27Å; M15-M19 HydrophobicContact CB-CG 4.34Å; M15-M19 HydrophobicContact CB-SD 3.88Å; M15-M19 HydrophobicContact CE-CG 4.16Å; M15-M19 HydrophobicContact CE-SD 3.99Å; M15-M19 HydrophobicContact CG-CB 4.48Å; M15-M19 HydrophobicContact SD-CB 4.07Å; M15-M19 HydrophobicContact SD-CG 3.78Å; M15-M19 HydrophobicContact SD-SD 4.23Å; M15-Q20 HydrophobicContact CG-CB 4.32Å; M15-Q20 HydrophobicContact SD-CB 4.13Å; M15-Q20 PolarHBondContact SD-N 2.98Å; M15-W56 HydrophobicContact CE-CH2 4.24Å; M15-W56 HydrophobicContact CE-CZ3 4.28Å; M15-K73 WeakPolarHBondContact CA-O 3.5Å; M15-K73 WeakPolarHBondContact CB-O 3.33Å; M15-I76 HydrophobicContact CE-CB 3.68Å; M15-I76 HydrophobicContact CE-CG2 3.64Å; M15-I76 HydrophobicContact SD-CB 3.83Å; M15-I76 HydrophobicContact SD-CD1 4.26Å; M15-I76 HydrophobicContact SD-CG2 4.05Å
16S98.1Very high96.1Very high61 Ų6169.4 Ų69.443%0.42735%0.347SS..  trans-72157.8173.764.60000112.1E18 M19 Q20S16-E18 VanDerWaalsContact C-N 3.25Å; S16-E18 PolarHBondContact O-N 2.94Å; S16-M19 PolarHBondContact O-N 3.37Å; S16-M19 WeakPolarHBondContact OG-CB 3.49Å; S16-M19 PolarHBondContact OG-N 2.92Å; S16-Q20 WeakPolarHBondContact O-CB 3.34Å; S16-Q20 PolarHBondContact O-N 3.34Å
17E97.7Very high97.2Very high171 Ų17163.8 Ų63.880%0.79933%0.326SS*.Hα-helixtrans-59.3-36.9174.9-65.9-175.5168.200112.2Q20 Q21E17-Q20 WeakPolarHBondContact O-CB 3.35Å; E17-Q20 PolarHBondContact O-N 2.86Å; E17-Q21 PolarHBondContact O-N 2.85Å
18E98Very high97.7Very high146 Ų14658 Ų5868%0.68231%0.305SS*.Hα-helixtrans-62.3-47.6175.4-175.2-175.7175.400111.6S16 Q20 Q21 D22S16-E18 VanDerWaalsContact C-N 3.25Å; S16-E18 PolarHBondContact O-N 2.94Å; E18-Q20 VanDerWaalsContact C-N 3.31Å; E18-Q20 PolarHBondContact O-N 3.34Å; E18-Q21 PolarHBondContact O-N 3.22Å; E18-D22 PolarHBondContact O-N 2.88Å
19M98.4Very high97.7Very high23 Ų2360.5 Ų60.511%0.11331%0.312CS..Hα-helixtrans-68.9-32.4178.4-172.1-178.5-70.900111.8M15 S16 D22 A23 F48 H52 W56M15-M19 HydrophobicContact CB-CB 4.27Å; M15-M19 HydrophobicContact CB-CG 4.34Å; M15-M19 HydrophobicContact CB-SD 3.88Å; M15-M19 HydrophobicContact CE-CG 4.16Å; M15-M19 HydrophobicContact CE-SD 3.99Å; M15-M19 HydrophobicContact CG-CB 4.48Å; M15-M19 HydrophobicContact SD-CB 4.07Å; M15-M19 HydrophobicContact SD-CG 3.78Å; M15-M19 HydrophobicContact SD-SD 4.23Å; S16-M19 PolarHBondContact O-N 3.37Å; S16-M19 WeakPolarHBondContact OG-CB 3.49Å; S16-M19 PolarHBondContact OG-N 2.92Å; M19-D22 WeakPolarHBondContact O-CB 3.31Å; M19-D22 PolarHBondContact O-N 3.47Å; M19-A23 PolarHBondContact O-N 3.42Å; M19-F48 HydrophobicContact CG-CE1 4.01Å; M19-H52 HydrophobicContact CE-CB 4.44Å; M19-W56 HydrophobicContact SD-CH2 3.7Å; M19-W56 HydrophobicContact SD-CZ2 4.1Å
20Q98.2Very high97.8Very high51 Ų5157.6 Ų57.624%0.23830%0.295CS..Hα-helixtrans-63-44.3171.8168.4178-23.600111.2M15 S16 E17 E18 D22 A23 I24 I76M15-Q20 HydrophobicContact CG-CB 4.32Å; M15-Q20 HydrophobicContact SD-CB 4.13Å; M15-Q20 PolarHBondContact SD-N 2.98Å; S16-Q20 WeakPolarHBondContact O-CB 3.34Å; S16-Q20 PolarHBondContact O-N 3.34Å; E17-Q20 WeakPolarHBondContact O-CB 3.35Å; E17-Q20 PolarHBondContact O-N 2.86Å; E18-Q20 VanDerWaalsContact C-N 3.31Å; E18-Q20 PolarHBondContact O-N 3.34Å; Q20-D22 VanDerWaalsContact C-N 3.33Å; Q20-A23 WeakPolarHBondContact O-CB 3.48Å; Q20-A23 PolarHBondContact O-N 2.87Å; Q20-I24 HydrophobicContact CG-CD1 4.18Å; Q20-I24 WeakPolarHBondContact O-CG1 3.49Å; Q20-I24 PolarHBondContact O-N 3.4Å; Q20-I24 VanDerWaalsContact O-N 3.13Å; Q20-I76 HydrophobicContact CB-CD1 4.23Å; Q20-I76 HydrophobicContact CG-CD1 3.78Å
21Q97.6Very high97.7Very high95 Ų9556.4 Ų56.444%0.44429%0.286SS..Hα-helixtrans-63.2-41.8176.4-171.258.649.100111.1E17 E18 A23 I24 D25E17-Q21 PolarHBondContact O-N 2.85Å; E18-Q21 PolarHBondContact O-N 3.22Å; Q21-A23 VanDerWaalsContact C-N 3.26Å; Q21-A23 PolarHBondContact O-N 3.29Å; Q21-I24 PolarHBondContact O-N 3.45Å; Q21-I24 VanDerWaalsContact O-N 3.17Å; Q21-D25 PolarHBondContact NE2-OD1 2.87Å; Q21-D25 WeakPolarHBondContact O-CB 3.37Å; Q21-D25 VanDerWaalsContact O-CG 3.28Å; Q21-D25 PolarHBondContact O-N 2.95Å
22D98.1Very high97.6Very high24 Ų2457.6 Ų57.613%0.12829%0.293CS..Hα-helixtrans-55.9-40.2173.2-74.1-20.9000112.8E18 M19 Q20 D25 A26 F48 K51 H52E18-D22 PolarHBondContact O-N 2.88Å; M19-D22 WeakPolarHBondContact O-CB 3.31Å; M19-D22 PolarHBondContact O-N 3.47Å; Q20-D22 VanDerWaalsContact C-N 3.33Å; D22-D25 PolarHBondContact O-N 3.48Å; D22-A26 WeakPolarHBondContact O-CB 3.45Å; D22-A26 PolarHBondContact O-N 2.93Å; D22-F48 HydrophobicContact CB-CE2 4.35Å; D22-F48 HydrophobicContact CB-CZ 3.97Å; D22-K51 IonicContact OD1-NZ 2.66Å; D22-K51 PolarHBondContact OD1-NZ 2.81Å; D22-K51 WeakPolarHBondContact OD2-CD 3.42Å; D22-K51 WeakPolarHBondContact OD2-CE 3.3Å; D22-K51 IonicContact OD2-NZ 2.75Å; D22-K51 PolarHBondContact OD2-NZ 2.82Å; D22-H52 IonicContact OD2-CE1 3.29Å; D22-H52 PolarHBondContact OD2-CE1 3.29Å; D22-H52 VanDerWaalsContact OD2-CE1 3.29Å; D22-H52 IonicContact OD2-NE2 2.9Å; D22-H52 PolarHBondContact OD2-NE2 3Å
23A98.4Very high97.5Very high0 Ų058.8 Ų58.80%029%0.294CS..Hα-helixtrans-66.6-41.5179.700000111.5M19 Q20 Q21 A27 F48 I76 F78 L87M19-A23 PolarHBondContact O-N 3.42Å; Q20-A23 WeakPolarHBondContact O-CB 3.48Å; Q20-A23 PolarHBondContact O-N 2.87Å; Q21-A23 VanDerWaalsContact C-N 3.26Å; Q21-A23 PolarHBondContact O-N 3.29Å; A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.38Å; A23-A27 PolarHBondContact O-N 3.04Å; A23-F48 VanDerWaalsContact CA-CZ 3.41Å; A23-F48 HydrophobicContact CB-CE1 4.39Å; A23-F48 HydrophobicContact CB-CE2 4.13Å; A23-F48 HydrophobicContact CB-CZ 3.57Å; A23-I76 HydrophobicContact CB-CD1 4.11Å; A23-I76 HydrophobicContact CB-CG2 3.96Å; A23-F78 HydrophobicContact CB-CE1 4.32Å; A23-L87 HydrophobicContact CB-CD2 3.97Å
24I97.6Very high97.5Very high28 Ų2860.2 Ų60.214%0.14429%0.294CS..Hα-helixtrans-67-42.5177.3-67.1168.6000110.5A8 V10 Q20 Q21 A27 T28 F78A8-I24 HydrophobicContact CB-CB 4.46Å; A8-I24 HydrophobicContact CB-CD1 3.83Å; A8-I24 HydrophobicContact CB-CG1 3.82Å; A8-I24 HydrophobicContact CB-CG2 3.83Å; V10-I24 HydrophobicContact CG2-CD1 4.42Å; Q20-I24 HydrophobicContact CG-CD1 4.18Å; Q20-I24 WeakPolarHBondContact O-CG1 3.49Å; Q20-I24 PolarHBondContact O-N 3.4Å; Q20-I24 VanDerWaalsContact O-N 3.13Å; Q21-I24 PolarHBondContact O-N 3.45Å; Q21-I24 VanDerWaalsContact O-N 3.17Å; I24-A27 PolarHBondContact O-N 3.2Å; I24-T28 WeakPolarHBondContact O-CB 3.06Å; I24-T28 PolarHBondContact O-N 3.17Å; I24-T28 PolarHBondContact O-OG1 3.29Å; I24-F78 HydrophobicContact CG1-CE2 4.3Å; I24-F78 HydrophobicContact CG1-CZ 4.47Å
25D97.3Very high97.3Very high67 Ų6765 Ų6536%0.35832%0.32SS..Hα-helixtrans-68.1-44.4179.6-69.5-10.2000111.3Q21 D22 A27 T28 Q29Q21-D25 PolarHBondContact NE2-OD1 2.87Å; Q21-D25 WeakPolarHBondContact O-CB 3.37Å; Q21-D25 VanDerWaalsContact O-CG 3.28Å; Q21-D25 PolarHBondContact O-N 2.95Å; D22-D25 PolarHBondContact O-N 3.48Å; D25-A27 VanDerWaalsContact C-N 3.33Å; D25-A27 PolarHBondContact O-N 3.28Å; D25-T28 PolarHBondContact O-N 3.2Å; D25-Q29 WeakPolarHBondContact O-CG 3.37Å; D25-Q29 PolarHBondContact O-N 3.15Å
26A98.1Very high97.2Very high8 Ų868.6 Ų68.67%0.06634%0.338CS..Hα-helixtrans-60.5-43175.100000111.4D22 A30 Y43 F48D22-A26 WeakPolarHBondContact O-CB 3.45Å; D22-A26 PolarHBondContact O-N 2.93Å; A26-A30 VanDerWaalsContact O-CB 3.31Å; A26-A30 WeakPolarHBondContact O-CB 3.44Å; A26-A30 PolarHBondContact O-N 3.46Å; A26-Y43 WeakPolarHBondContact O-CE1 3.47Å; A26-F48 HydrophobicContact CB-CD2 4.41Å; A26-F48 HydrophobicContact CB-CE2 4.03Å
27A97.9Very high97.2Very high1 Ų169.4 Ų69.41%0.00834%0.335CS..Hα-helixtrans-65.2-43.1175.600000112.2A23 I24 D25 Q29 A30 F31 I44 F78A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.38Å; A23-A27 PolarHBondContact O-N 3.04Å; I24-A27 PolarHBondContact O-N 3.2Å; D25-A27 VanDerWaalsContact C-N 3.33Å; D25-A27 PolarHBondContact O-N 3.28Å; A27-Q29 PolarHBondContact O-N 2.89Å; A27-A30 WeakPolarHBondContact O-CB 3.44Å; A27-A30 PolarHBondContact O-N 3.44Å; A27-F31 HydrophobicContact CB-CD2 4.5Å; A27-F31 HydrophobicContact CB-CE2 4.46Å; A27-F31 WeakPolarHBondContact O-CB 3.31Å; A27-F31 WeakPolarHBondContact O-CD2 3.42Å; A27-F31 PolarHBondContact O-N 3.22Å; A27-I44 HydrophobicContact CB-CD1 3.84Å; A27-I44 HydrophobicContact CB-CG1 4.46Å; A27-F78 HydrophobicContact CB-CE2 4.03Å; A27-F78 HydrophobicContact CB-CZ 3.67Å
28T96.4Very high97.2Very high49 Ų4968 Ų6830%0.30133%0.326SS..Hα-helixtrans-58.1-49.4177.1-59.40000110.8I24 D25 A30 F31 E32I24-T28 WeakPolarHBondContact O-CB 3.06Å; I24-T28 PolarHBondContact O-N 3.17Å; I24-T28 PolarHBondContact O-OG1 3.29Å; D25-T28 PolarHBondContact O-N 3.2Å; T28-A30 VanDerWaalsContact C-N 3.35Å; T28-A30 PolarHBondContact O-N 3.23Å; T28-F31 WeakPolarHBondContact O-CB 3.43Å; T28-F31 PolarHBondContact O-N 3.43Å; T28-E32 WeakPolarHBondContact O-CG 3.49Å; T28-E32 PolarHBondContact O-N 3.13Å; T28-E32 VanDerWaalsContact O-N 3.15Å
29Q96.6Very high97.3Very high80 Ų8063.4 Ų63.437%0.37431%0.306SS..Hα-helixtrans-62.9-39.4175.8-68.5175.34600112.7D25 A27 F31 E32 K33 Y43D25-Q29 WeakPolarHBondContact O-CG 3.37Å; D25-Q29 PolarHBondContact O-N 3.15Å; A27-Q29 PolarHBondContact O-N 2.89Å; Q29-F31 VanDerWaalsContact C-N 3.29Å; Q29-F31 PolarHBondContact O-N 3.43Å; Q29-E32 PolarHBondContact O-N 3.49Å; Q29-K33 WeakPolarHBondContact O-CG 3.45Å; Q29-K33 PolarHBondContact O-N 2.92Å; Q29-Y43 HydrophobicContact CB-CE1 4.07Å; Q29-Y43 PolarHBondContact OE1-OH 3.2Å
30A97.7Very high97.3Very high0 Ų062.6 Ų62.60%030%0.302CS..Hα-helixtrans-60.8-42.317700000111.2A26 A27 T28 E32 K33 Y34 I40 Y43 I44A26-A30 VanDerWaalsContact O-CB 3.31Å; A26-A30 WeakPolarHBondContact O-CB 3.44Å; A26-A30 PolarHBondContact O-N 3.46Å; A27-A30 WeakPolarHBondContact O-CB 3.44Å; A27-A30 PolarHBondContact O-N 3.44Å; T28-A30 VanDerWaalsContact C-N 3.35Å; T28-A30 PolarHBondContact O-N 3.23Å; A30-E32 VanDerWaalsContact C-N 3.3Å; A30-E32 PolarHBondContact O-N 2.99Å; A30-K33 PolarHBondContact O-N 2.82Å; A30-Y34 WeakPolarHBondContact O-CD2 3.44Å; A30-Y34 PolarHBondContact O-N 2.88Å; A30-I40 HydrophobicContact CB-CB 4.38Å; A30-I40 HydrophobicContact CB-CG2 3.75Å; A30-Y43 HydrophobicContact CB-CD1 3.52Å; A30-Y43 HydrophobicContact CB-CE1 4.19Å; A30-Y43 HydrophobicContact CB-CG 4.07Å; A30-I44 HydrophobicContact CB-CD1 4.37Å; A30-I44 HydrophobicContact CB-CG1 3.97Å
31F96.1Very high97.3Very high22 Ų2260.8 Ų60.810%0.09630%0.297CS..Hα-helixtrans-69-23.2179-88.3-51000114.6A27 T28 Q29 I40 A80 V83 I85A27-F31 HydrophobicContact CB-CD2 4.5Å; A27-F31 HydrophobicContact CB-CE2 4.46Å; A27-F31 WeakPolarHBondContact O-CB 3.31Å; A27-F31 WeakPolarHBondContact O-CD2 3.42Å; A27-F31 PolarHBondContact O-N 3.22Å; T28-F31 WeakPolarHBondContact O-CB 3.43Å; T28-F31 PolarHBondContact O-N 3.43Å; Q29-F31 VanDerWaalsContact C-N 3.29Å; Q29-F31 PolarHBondContact O-N 3.43Å; F31-I40 HydrophobicContact CD1-CD1 3.64Å; F31-I40 HydrophobicContact CD1-CG1 4.47Å; F31-I40 HydrophobicContact CE1-CD1 3.62Å; F31-I40 HydrophobicContact CE1-CG2 4.34Å; F31-I40 HydrophobicContact CZ-CG2 4.4Å; F31-A80 HydrophobicContact CD2-CB 4.22Å; F31-A80 HydrophobicContact CE2-CB 3.57Å; F31-A80 HydrophobicContact CZ-CB 4.26Å; F31-V83 HydrophobicContact CE1-CB 4.29Å; F31-V83 HydrophobicContact CE1-CG1 4.24Å; F31-V83 HydrophobicContact CE1-CG2 4.37Å; F31-V83 HydrophobicContact CZ-CB 3.91Å; F31-V83 HydrophobicContact CZ-CG1 3.83Å; F31-V83 HydrophobicContact CZ-CG2 4.47Å; F31-I85 HydrophobicContact CE2-CD1 3.87Å; F31-I85 HydrophobicContact CE2-CG1 4.41Å; F31-I85 HydrophobicContact CZ-CD1 4.08Å
32E95.4Very high97.3Very high151 Ų15158.1 Ų58.171%0.70629%0.29SS*.Hα-helixtrans-78.6-32.3171.8-70.3172.917200112T28 Q29 A30T28-E32 WeakPolarHBondContact O-CG 3.49Å; T28-E32 PolarHBondContact O-N 3.13Å; T28-E32 VanDerWaalsContact O-N 3.15Å; Q29-E32 PolarHBondContact O-N 3.49Å; A30-E32 VanDerWaalsContact C-N 3.3Å; A30-E32 PolarHBondContact O-N 2.99Å
33K96.3Very high97.4Very high119 Ų11958.2 Ų58.252%0.51729%0.289SS..Hα-helixtrans-91.4-30.5-174.6-67.6174.6-175174.70113.8Q29 A30 Y43Q29-K33 WeakPolarHBondContact O-CG 3.45Å; Q29-K33 PolarHBondContact O-N 2.92Å; A30-K33 PolarHBondContact O-N 2.82Å; K33-Y43 HydrophobicContact CD-CE2 3.97Å; K33-Y43 PolarHBondContact NZ-OH 3.29Å
34Y97.2Very high97.4Very high86 Ų8658.2 Ų58.234%0.33729%0.289SS..  trans-131.9144.7-169.3-53.4-73.1000112.1A30 D39 Y43A30-Y34 WeakPolarHBondContact O-CD2 3.44Å; A30-Y34 PolarHBondContact O-N 2.88Å; Y34-D39 HydrophobicContact CD1-CB 3.77Å; Y34-D39 HydrophobicContact CE1-CB 4.45Å; Y34-D39 HydrophobicContact CG-CB 3.9Å; Y34-Y43 HydrophobicContact CD2-CG 4.49Å; Y34-Y43 AromaticContact CE2-CD2 3.57Å; Y34-Y43 HydrophobicContact CE2-CD2 3.57Å; Y34-Y43 HydrophobicContact CE2-CE2 4.41Å; Y34-Y43 AromaticContact CE2-CG 3.84Å; Y34-Y43 HydrophobicContact CE2-CG 3.84Å
35N94.4Very high97.4Very high160 Ų16059.8 Ų59.886%0.85630%0.295SS*.SBendtrans-108.7-6.6176.3-68.7-49.5000113.3
36I96.7Very high97.5Very high98 Ų9863.4 Ų63.450%0.50331%0.308SS..SBendtrans-106126.1-177.3-60.4174.5000108.6K38 D39 I40I36-K38 HydrophobicContact CG2-CB 4.1Å; I36-K38 PolarHBondContact O-N 3.01Å; I36-D39 HydrophobicContact CB-CB 4.45Å; I36-D39 PolarHBondContact O-N 2.8Å; I36-I40 WeakPolarHBondContact O-CG1 3.46Å; I36-I40 PolarHBondContact O-N 3.11Å
37E97.7Very high97.5Very high79 Ų7966.5 Ų66.537%0.36932%0.321SS..Hα-helixtrans-52.7-41.8-176.8-65.2175.3155.400112.5D39 I40 A41 V60 G61 R62E37-D39 VanDerWaalsContact C-N 3.33Å; E37-D39 PolarHBondContact O-N 3.13Å; E37-I40 PolarHBondContact O-N 3.05Å; E37-A41 WeakPolarHBondContact O-CB 3.42Å; E37-A41 PolarHBondContact O-N 2.66Å; E37-V60 HydrophobicContact CB-CB 4.33Å; E37-V60 HydrophobicContact CB-CG1 4.08Å; E37-V60 HydrophobicContact CG-CG1 4.21Å; E37-G61 WeakPolarHBondContact OE1-CA 3.11Å; E37-R62 PolarHBondContact OE1-N 3.37Å
38K98.2Very high97.6Very high141 Ų14166.6 Ų66.661%0.61332%0.321SS*.Hα-helixtrans-57.4-42.3175.4-174.3-169.463.762.20112.8I36 A42I36-K38 HydrophobicContact CG2-CB 4.1Å; I36-K38 PolarHBondContact O-N 3.01Å; K38-A42 WeakPolarHBondContact O-CB 3.41Å; K38-A42 PolarHBondContact O-N 2.88Å
39D98.4Very high97.7Very high49 Ų4966 Ų6626%0.26232%0.316SS..Hα-helixtrans-76.3-35.4-177.2-62.9-28.4000111.1Y34 I36 E37 A42 Y43Y34-D39 HydrophobicContact CD1-CB 3.77Å; Y34-D39 HydrophobicContact CE1-CB 4.45Å; Y34-D39 HydrophobicContact CG-CB 3.9Å; I36-D39 HydrophobicContact CB-CB 4.45Å; I36-D39 PolarHBondContact O-N 2.8Å; E37-D39 VanDerWaalsContact C-N 3.33Å; E37-D39 PolarHBondContact O-N 3.13Å; D39-A42 PolarHBondContact O-N 3.21Å; D39-Y43 WeakPolarHBondContact O-CB 3.2Å; D39-Y43 PolarHBondContact O-N 3.21Å
40I98.4Very high97.7Very high6 Ų670.2 Ų70.23%0.03133%0.333CS..Hα-helixtrans-60.4-50.7171.5-62.8164.2000109.9A30 F31 I36 E37 A42 Y43 I44 V60A30-I40 HydrophobicContact CB-CB 4.38Å; A30-I40 HydrophobicContact CB-CG2 3.75Å; F31-I40 HydrophobicContact CD1-CD1 3.64Å; F31-I40 HydrophobicContact CD1-CG1 4.47Å; F31-I40 HydrophobicContact CE1-CD1 3.62Å; F31-I40 HydrophobicContact CE1-CG2 4.34Å; F31-I40 HydrophobicContact CZ-CG2 4.4Å; I36-I40 WeakPolarHBondContact O-CG1 3.46Å; I36-I40 PolarHBondContact O-N 3.11Å; E37-I40 PolarHBondContact O-N 3.05Å; I40-A42 VanDerWaalsContact C-N 3.33Å; I40-A42 PolarHBondContact O-N 2.84Å; I40-Y43 PolarHBondContact O-N 3.35Å; I40-I44 HydrophobicContact CG2-CD1 3.91Å; I40-I44 WeakPolarHBondContact O-CG1 3.49Å; I40-I44 PolarHBondContact O-N 3.45Å; I40-V60 HydrophobicContact CB-CG1 4.41Å; I40-V60 HydrophobicContact CG2-CG1 4.12Å; I40-V60 HydrophobicContact CG2-CG2 4.03Å
41A98.8Very high97.8Very high14 Ų1475.9 Ų75.912%0.11636%0.357CS..Hα-helixtrans-59.6-4417800000111.9E37 Y43 I44 K45 C58 V60E37-A41 WeakPolarHBondContact O-CB 3.42Å; E37-A41 PolarHBondContact O-N 2.66Å; A41-Y43 VanDerWaalsContact C-N 3.34Å; A41-Y43 PolarHBondContact O-N 2.75Å; A41-I44 PolarHBondContact O-N 3.07Å; A41-K45 VanDerWaalsContact O-CB 3.31Å; A41-K45 WeakPolarHBondContact O-CB 3.35Å; A41-K45 PolarHBondContact O-N 2.89Å; A41-C58 HydrophobicContact CB-CB 4.32Å; A41-C58 WeakPolarHBondContact O-CB 3.39Å; A41-V60 HydrophobicContact CB-CB 4.15Å; A41-V60 HydrophobicContact CB-CG2 3.7Å
42A98.7Very high97.9Very high38 Ų3876.4 Ų76.431%0.31436%0.36SS..Hα-helixtrans-63.8-37.8178.300000112.6K38 D39 I40 K46K38-A42 WeakPolarHBondContact O-CB 3.41Å; K38-A42 PolarHBondContact O-N 2.88Å; D39-A42 PolarHBondContact O-N 3.21Å; I40-A42 VanDerWaalsContact C-N 3.33Å; I40-A42 PolarHBondContact O-N 2.84Å; A42-K46 WeakPolarHBondContact O-CB 3.41Å; A42-K46 VanDerWaalsContact O-CG 3.24Å; A42-K46 WeakPolarHBondContact O-CG 3.37Å; A42-K46 PolarHBondContact O-N 3.24Å; A42-K46 VanDerWaalsContact O-N 3.13Å
43Y98.8Very high98Very high26 Ų2674.6 Ų74.610%0.10236%0.355CS..Hα-helixtrans-63.8-53.8175.3-180-88.9000111.4A26 Q29 A30 K33 Y34 D39 I40 A41 K45 K46 E47A26-Y43 WeakPolarHBondContact O-CE1 3.47Å; Q29-Y43 HydrophobicContact CB-CE1 4.07Å; Q29-Y43 PolarHBondContact OE1-OH 3.2Å; A30-Y43 HydrophobicContact CB-CD1 3.52Å; A30-Y43 HydrophobicContact CB-CE1 4.19Å; A30-Y43 HydrophobicContact CB-CG 4.07Å; K33-Y43 HydrophobicContact CD-CE2 3.97Å; K33-Y43 PolarHBondContact NZ-OH 3.29Å; Y34-Y43 HydrophobicContact CD2-CG 4.49Å; Y34-Y43 AromaticContact CE2-CD2 3.57Å; Y34-Y43 HydrophobicContact CE2-CD2 3.57Å; Y34-Y43 HydrophobicContact CE2-CE2 4.41Å; Y34-Y43 AromaticContact CE2-CG 3.84Å; Y34-Y43 HydrophobicContact CE2-CG 3.84Å; D39-Y43 WeakPolarHBondContact O-CB 3.2Å; D39-Y43 PolarHBondContact O-N 3.21Å; I40-Y43 PolarHBondContact O-N 3.35Å; A41-Y43 VanDerWaalsContact C-N 3.34Å; A41-Y43 PolarHBondContact O-N 2.75Å; Y43-K45 VanDerWaalsContact C-N 3.33Å; Y43-K45 PolarHBondContact O-N 2.9Å; Y43-K46 PolarHBondContact O-N 3.42Å; Y43-E47 HydrophobicContact CD1-CG 4.12Å; Y43-E47 HydrophobicContact CE1-CG 3.77Å; Y43-E47 HydrophobicContact CE2-CG 4.38Å; Y43-E47 PolarHBondContact O-N 3.45Å
44I98.7Very high98Very high0 Ų072.8 Ų72.80%036%0.356CS..Hα-helixtrans-58.8-47.1-177.7-62.6165.9000110.2A27 A30 I40 A41 K46 E47 F48 V60 I85 L87A27-I44 HydrophobicContact CB-CD1 3.84Å; A27-I44 HydrophobicContact CB-CG1 4.46Å; A30-I44 HydrophobicContact CB-CD1 4.37Å; A30-I44 HydrophobicContact CB-CG1 3.97Å; I40-I44 HydrophobicContact CG2-CD1 3.91Å; I40-I44 WeakPolarHBondContact O-CG1 3.49Å; I40-I44 PolarHBondContact O-N 3.45Å; A41-I44 PolarHBondContact O-N 3.07Å; I44-K46 PolarHBondContact O-N 3.34Å; I44-E47 PolarHBondContact O-N 2.96Å; I44-F48 HydrophobicContact CG2-CD2 4.3Å; I44-F48 WeakPolarHBondContact O-CB 3.44Å; I44-F48 PolarHBondContact O-N 2.81Å; I44-V60 HydrophobicContact CD1-CG2 4.38Å; I44-I85 HydrophobicContact CD1-CG2 4.08Å; I44-L87 HydrophobicContact CG2-CD1 4.03Å; I44-L87 HydrophobicContact CG2-CD2 3.8Å; I44-L87 HydrophobicContact CG2-CG 4.45Å
45K98.8Very high98.1Very high62 Ų6271.5 Ų71.527%0.2736%0.357SS..Hα-helixtrans-55.3-49.9176.7-172.7-160-179.8-39.20111.8A41 Y43 F48 D49 W56 C58A41-K45 VanDerWaalsContact O-CB 3.31Å; A41-K45 WeakPolarHBondContact O-CB 3.35Å; A41-K45 PolarHBondContact O-N 2.89Å; Y43-K45 VanDerWaalsContact C-N 3.33Å; Y43-K45 PolarHBondContact O-N 2.9Å; K45-F48 PolarHBondContact O-N 2.86Å; K45-D49 IonicContact NZ-OD1 3.51Å; K45-D49 IonicContact NZ-OD2 2.65Å; K45-D49 PolarHBondContact NZ-OD2 3.19Å; K45-D49 WeakPolarHBondContact O-CB 3.48Å; K45-D49 PolarHBondContact O-N 2.88Å; K45-W56 WeakPolarHBondContact CE-O 3.49Å; K45-W56 HydrophobicContact CG-CB 4.32Å; K45-W56 VanDerWaalsContact CG-O 3.23Å; K45-W56 WeakPolarHBondContact CG-O 3.41Å; K45-W56 PolarHBondContact NZ-O 3.43Å; K45-C58 HydrophobicContact CB-CB 4.05Å
46K98.6Very high98.3Very high143 Ų14363.9 Ų63.962%0.62232%0.316SS*.Hα-helixtrans-64.3-41.2-177.9-76.9174.8179.5-179.30112.4A42 Y43 I44 F48 K50A42-K46 WeakPolarHBondContact O-CB 3.41Å; A42-K46 VanDerWaalsContact O-CG 3.24Å; A42-K46 WeakPolarHBondContact O-CG 3.37Å; A42-K46 PolarHBondContact O-N 3.24Å; A42-K46 VanDerWaalsContact O-N 3.13Å; Y43-K46 PolarHBondContact O-N 3.42Å; I44-K46 PolarHBondContact O-N 3.34Å; K46-F48 VanDerWaalsContact C-N 3.32Å; K46-K50 WeakPolarHBondContact O-CB 3.43Å; K46-K50 PolarHBondContact O-N 3.06Å
47E98.5Very high98.4Very high72 Ų7262.3 Ų62.334%0.33631%0.307SS..Hα-helixtrans-63.1-41.5176-72.5-58.3123.200111.2Y43 I44 K50 K51Y43-E47 HydrophobicContact CD1-CG 4.12Å; Y43-E47 HydrophobicContact CE1-CG 3.77Å; Y43-E47 HydrophobicContact CE2-CG 4.38Å; Y43-E47 PolarHBondContact O-N 3.45Å; I44-E47 PolarHBondContact O-N 2.96Å; E47-K50 PolarHBondContact O-N 2.88Å; E47-K51 WeakPolarHBondContact O-CB 3.31Å; E47-K51 PolarHBondContact O-N 3.39Å
48F98.6Very high98.4Very high4 Ų459.7 Ų59.72%0.01830%0.297CS..Hα-helixtrans-71.4-40.3177.8-93.8-109.1000113.5M19 D22 A23 A26 I44 K45 K46 K50 K51 H52 W56 L87M19-F48 HydrophobicContact CG-CE1 4.01Å; D22-F48 HydrophobicContact CB-CE2 4.35Å; D22-F48 HydrophobicContact CB-CZ 3.97Å; A23-F48 VanDerWaalsContact CA-CZ 3.41Å; A23-F48 HydrophobicContact CB-CE1 4.39Å; A23-F48 HydrophobicContact CB-CE2 4.13Å; A23-F48 HydrophobicContact CB-CZ 3.57Å; A26-F48 HydrophobicContact CB-CD2 4.41Å; A26-F48 HydrophobicContact CB-CE2 4.03Å; I44-F48 HydrophobicContact CG2-CD2 4.3Å; I44-F48 WeakPolarHBondContact O-CB 3.44Å; I44-F48 PolarHBondContact O-N 2.81Å; K45-F48 PolarHBondContact O-N 2.86Å; K46-F48 VanDerWaalsContact C-N 3.32Å; F48-K50 PolarHBondContact O-N 2.92Å; F48-K51 PolarHBondContact O-N 2.87Å; F48-H52 AromaticContact CD1-CD2 3.64Å; F48-H52 AromaticContact CE1-CD2 3.63Å; F48-H52 WeakPolarHBondContact O-CA 3.38Å; F48-H52 WeakPolarHBondContact O-CB 3.41Å; F48-H52 PolarHBondContact O-N 3.33Å; F48-W56 VanDerWaalsContact C-CD1 3.43Å; F48-W56 HydrophobicContact CB-CB 4.12Å; F48-W56 HydrophobicContact CB-CD2 3.76Å; F48-W56 HydrophobicContact CB-CE3 4.33Å; F48-W56 HydrophobicContact CB-CG 3.63Å; F48-W56 AromaticContact CD1-CD2 3.69Å; F48-W56 HydrophobicContact CD1-CD2 3.69Å; F48-W56 AromaticContact CD1-CE2 3.65Å; F48-W56 AromaticContact CD1-CE3 3.69Å; F48-W56 HydrophobicContact CD1-CE3 3.69Å; F48-W56 HydrophobicContact CD1-CG 4.47Å; F48-W56 AromaticContact CD1-CH2 3.59Å; F48-W56 HydrophobicContact CD1-CH2 3.59Å; F48-W56 AromaticContact CD1-CZ2 3.6Å; F48-W56 HydrophobicContact CD1-CZ2 3.6Å; F48-W56 AromaticContact CD1-CZ3 3.64Å; F48-W56 HydrophobicContact CD1-CZ3 3.64Å; F48-W56 AromaticContact CE1-CH2 3.87Å; F48-W56 HydrophobicContact CE1-CH2 3.87Å; F48-W56 HydrophobicContact CE1-CZ2 4.19Å; F48-W56 HydrophobicContact CE1-CZ3 4.05Å; F48-W56 HydrophobicContact CG-CD2 4.19Å; F48-W56 HydrophobicContact CG-CE3 4.38Å; F48-W56 PolarHBondContact O-NE1 2.84Å; F48-L87 HydrophobicContact CD1-CD2 3.65Å; F48-L87 HydrophobicContact CD1-CG 4.34Å; F48-L87 HydrophobicContact CD2-CD2 3.85Å; F48-L87 HydrophobicContact CE1-CD2 3.58Å; F48-L87 HydrophobicContact CE2-CD2 3.8Å; F48-L87 HydrophobicContact CG-CD1 4.37Å; F48-L87 HydrophobicContact CG-CD2 3.79Å; F48-L87 HydrophobicContact CZ-CD2 3.67Å
49D98.5Very high98.5Very high35 Ų3555.8 Ų55.819%0.18729%0.285CS..Hα-helixtrans-56.9-40.9171.4-75.6-27.4000111K45 N53 P54 W56K45-D49 IonicContact NZ-OD1 3.51Å; K45-D49 IonicContact NZ-OD2 2.65Å; K45-D49 PolarHBondContact NZ-OD2 3.19Å; K45-D49 WeakPolarHBondContact O-CB 3.48Å; K45-D49 PolarHBondContact O-N 2.88Å; D49-N53 CarbonylContact O-C 3.57Å; D49-N53 VanDerWaalsContact O-CA 3.27Å; D49-N53 WeakPolarHBondContact O-CA 3.39Å; D49-N53 PolarHBondContact O-N 3.36Å; D49-P54 HydrophobicContact CB-CB 4.4Å; D49-P54 WeakPolarHBondContact O-CD 3.14Å; D49-P54 WeakPolarHBondContact OD1-CA 3.42Å; D49-W56 WeakPolarHBondContact OD1-CB 3.41Å; D49-W56 PolarHBondContact OD1-N 3.17Å
50K98.3Very high98.5Very high169 Ų16954.1 Ų54.174%0.73528%0.276SS*.Hα-helixtrans-72.1-44.6179.6-177-175.4174.7-169.80112.7K46 E47 F48K46-K50 WeakPolarHBondContact O-CB 3.43Å; K46-K50 PolarHBondContact O-N 3.06Å; E47-K50 PolarHBondContact O-N 2.88Å; F48-K50 PolarHBondContact O-N 2.92Å
51K98.2Very high98.4Very high119 Ų11954.1 Ų54.152%0.51728%0.278SS..Hα-helixtrans-83.5-37.4-173.5-170.4173.9-176.8-178.70113D22 E47 F48D22-K51 IonicContact OD1-NZ 2.66Å; D22-K51 PolarHBondContact OD1-NZ 2.81Å; D22-K51 WeakPolarHBondContact OD2-CD 3.42Å; D22-K51 WeakPolarHBondContact OD2-CE 3.3Å; D22-K51 IonicContact OD2-NZ 2.75Å; D22-K51 PolarHBondContact OD2-NZ 2.82Å; E47-K51 WeakPolarHBondContact O-CB 3.31Å; E47-K51 PolarHBondContact O-N 3.39Å; F48-K51 PolarHBondContact O-N 2.87Å
52H97.9Very high98.3Very high33 Ų3361.5 Ų61.515%0.15330%0.303CS..Hα-helixtrans-120.916.8-167.8-63.4-60.7000113.5M19 D22 F48 W56 K89M19-H52 HydrophobicContact CE-CB 4.44Å; D22-H52 IonicContact OD2-CE1 3.29Å; D22-H52 PolarHBondContact OD2-CE1 3.29Å; D22-H52 VanDerWaalsContact OD2-CE1 3.29Å; D22-H52 IonicContact OD2-NE2 2.9Å; D22-H52 PolarHBondContact OD2-NE2 3Å; F48-H52 AromaticContact CD1-CD2 3.64Å; F48-H52 AromaticContact CE1-CD2 3.63Å; F48-H52 WeakPolarHBondContact O-CA 3.38Å; F48-H52 WeakPolarHBondContact O-CB 3.41Å; F48-H52 PolarHBondContact O-N 3.33Å; H52-W56 HydrophobicContact CB-CZ2 3.64Å; H52-K89 PolarHBondContact O-NZ 3.31Å
53N97.4Very high98.2Very high113 Ų11367.2 Ų67.260%0.60433%0.328SS*.  trans62.5142.5-176.2-53.8-69.9000113.9D49 W56 K89D49-N53 CarbonylContact O-C 3.57Å; D49-N53 VanDerWaalsContact O-CA 3.27Å; D49-N53 WeakPolarHBondContact O-CA 3.39Å; D49-N53 PolarHBondContact O-N 3.36Å; N53-W56 VanDerWaalsContact O-CD1 3.22Å; N53-W56 PolarHBondContact O-NE1 2.99Å; N53-K89 PolarHBondContact O-NZ 3.36Å; N53-K89 VanDerWaalsContact O-NZ 3.12Å
54P98.1Very high98.2Very high82 Ų8268.4 Ų68.453%0.53233%0.334SS..SBendtrans-64.8162177.929.1-35.7000112.4D49 K89D49-P54 HydrophobicContact CB-CB 4.4Å; D49-P54 WeakPolarHBondContact O-CD 3.14Å; D49-P54 WeakPolarHBondContact OD1-CA 3.42Å; P54-K89 WeakPolarHBondContact O-CE 3.48Å; P54-K89 PolarHBondContact O-NZ 2.8Å
55T98Very high98.1Very high59 Ų5972.1 Ų72.136%0.36237%0.372SS..  cis-112.6112.85.7-55.60000112.1K89 S90T55-K89 WeakPolarHBondContact O-CA 3.33Å; T55-K89 WeakPolarHBondContact O-CG 3.49Å; T55-S90 PolarHBondContact O-N 3.05Å
56W98.8Very high98Very high0 Ų072.1 Ų72.10%038%0.38CS..EExtended strand (participates in β ladder)trans-86.2151.4173.1-6984.1000111.8M15 M19 K45 F48 D49 H52 N53 H74 L87 F88 K89M15-W56 HydrophobicContact CE-CH2 4.24Å; M15-W56 HydrophobicContact CE-CZ3 4.28Å; M19-W56 HydrophobicContact SD-CH2 3.7Å; M19-W56 HydrophobicContact SD-CZ2 4.1Å; K45-W56 WeakPolarHBondContact CE-O 3.49Å; K45-W56 HydrophobicContact CG-CB 4.32Å; K45-W56 VanDerWaalsContact CG-O 3.23Å; K45-W56 WeakPolarHBondContact CG-O 3.41Å; K45-W56 PolarHBondContact NZ-O 3.43Å; F48-W56 VanDerWaalsContact C-CD1 3.43Å; F48-W56 HydrophobicContact CB-CB 4.12Å; F48-W56 HydrophobicContact CB-CD2 3.76Å; F48-W56 HydrophobicContact CB-CE3 4.33Å; F48-W56 HydrophobicContact CB-CG 3.63Å; F48-W56 AromaticContact CD1-CD2 3.69Å; F48-W56 HydrophobicContact CD1-CD2 3.69Å; F48-W56 AromaticContact CD1-CE2 3.65Å; F48-W56 AromaticContact CD1-CE3 3.69Å; F48-W56 HydrophobicContact CD1-CE3 3.69Å; F48-W56 HydrophobicContact CD1-CG 4.47Å; F48-W56 AromaticContact CD1-CH2 3.59Å; F48-W56 HydrophobicContact CD1-CH2 3.59Å; F48-W56 AromaticContact CD1-CZ2 3.6Å; F48-W56 HydrophobicContact CD1-CZ2 3.6Å; F48-W56 AromaticContact CD1-CZ3 3.64Å; F48-W56 HydrophobicContact CD1-CZ3 3.64Å; F48-W56 AromaticContact CE1-CH2 3.87Å; F48-W56 HydrophobicContact CE1-CH2 3.87Å; F48-W56 HydrophobicContact CE1-CZ2 4.19Å; F48-W56 HydrophobicContact CE1-CZ3 4.05Å; F48-W56 HydrophobicContact CG-CD2 4.19Å; F48-W56 HydrophobicContact CG-CE3 4.38Å; F48-W56 PolarHBondContact O-NE1 2.84Å; D49-W56 WeakPolarHBondContact OD1-CB 3.41Å; D49-W56 PolarHBondContact OD1-N 3.17Å; H52-W56 HydrophobicContact CB-CZ2 3.64Å; N53-W56 VanDerWaalsContact O-CD1 3.22Å; N53-W56 PolarHBondContact O-NE1 2.99Å; W56-H74 HydrophobicContact CH2-CB 3.83Å; W56-H74 AromaticContact CH2-CD2 3.92Å; W56-H74 HydrophobicContact CZ2-CB 4.33Å; W56-H74 AromaticContact CZ2-CD2 3.69Å; W56-H74 HydrophobicContact CZ3-CB 4.3Å; W56-L87 HydrophobicContact CB-CD1 4.4Å; W56-L87 HydrophobicContact CD2-CD1 4.47Å; W56-L87 HydrophobicContact CE3-CD1 3.71Å; W56-L87 HydrophobicContact CE3-CD2 4.44Å; W56-L87 HydrophobicContact CE3-CG 3.75Å; W56-L87 HydrophobicContact CZ3-CD1 4.41Å; W56-L87 HydrophobicContact CZ3-CD2 4.42Å; W56-L87 HydrophobicContact CZ3-CG 3.94Å; W56-F88 CarbonylContact C-O 3.55Å; W56-F88 WeakPolarHBondContact CA-O 3.45Å; W56-K89 HydrophobicContact CD2-CB 4.09Å; W56-K89 HydrophobicContact CD2-CG 4.4Å; W56-K89 HydrophobicContact CE3-CB 4.16Å; W56-K89 HydrophobicContact CH2-CB 4.48Å; W56-K89 HydrophobicContact CZ2-CB 4.4Å; W56-K89 HydrophobicContact CZ2-CD 4.4Å; W56-K89 HydrophobicContact CZ3-CB 4.35Å
57H98.7Very high97.9Very high65 Ų6576.4 Ų76.430%0.30139%0.394SS..EExtended strand (participates in β ladder)trans-127.2137175.1-57.9-85.6000108.1L87 F88 S90H57-L87 WeakPolarHBondContact O-CA 3.44Å; H57-L87 WeakPolarHBondContact O-CD1 3.47Å; H57-F88 HydrophobicContact CB-CD1 4.13Å; H57-F88 HydrophobicContact CB-CD2 4.23Å; H57-F88 HydrophobicContact CB-CE1 3.66Å; H57-F88 HydrophobicContact CB-CE2 3.77Å; H57-F88 HydrophobicContact CB-CG 4.4Å; H57-F88 HydrophobicContact CB-CZ 3.46Å; H57-F88 VanDerWaalsContact CB-CZ 3.46Å; H57-F88 AromaticContact CD2-CE2 3.74Å; H57-F88 AromaticContact CG-CE2 3.89Å; H57-F88 AromaticContact CG-CZ 3.94Å; H57-F88 PolarHBondContact N-O 2.87Å; H57-F88 PolarHBondContact O-N 2.65Å; H57-S90 PolarHBondContact NE2-O 3.13Å
58C98.8Very high97.8Very high23 Ų2375.4 Ų75.416%0.15539%0.392CS..EExtended strand (participates in β ladder)trans-134.2132.3-179.3-170.40000110.4A41 K45 L86 L87A41-C58 HydrophobicContact CB-CB 4.32Å; A41-C58 WeakPolarHBondContact O-CB 3.39Å; K45-C58 HydrophobicContact CB-CB 4.05Å; C58-L86 CarbonylContact C-O 3.6Å; C58-L86 VanDerWaalsContact CA-O 3.3Å; C58-L86 WeakPolarHBondContact CA-O 3.14Å; C58-L87 HydrophobicContact CB-CD1 4.04Å
59V98.6Very high97.8Very high60 Ų6080.7 Ų80.736%0.36443%0.425SS..EExtended strand (participates in β ladder)trans-121.9131.2172.3-175.80000107.8F64 I85 L86V59-F64 HydrophobicContact CB-CZ 4.49Å; V59-F64 HydrophobicContact CG1-CD1 4.29Å; V59-F64 HydrophobicContact CG1-CD2 4.22Å; V59-F64 HydrophobicContact CG1-CE1 4.2Å; V59-F64 HydrophobicContact CG1-CE2 4.16Å; V59-F64 HydrophobicContact CG1-CG 4.29Å; V59-F64 HydrophobicContact CG1-CZ 4.14Å; V59-I85 WeakPolarHBondContact O-CA 3.24Å; V59-L86 HydrophobicContact CB-CB 4.23Å; V59-L86 HydrophobicContact CG2-CD2 4.43Å; V59-L86 PolarHBondContact N-O 2.76Å; V59-L86 PolarHBondContact O-N 3.01Å
60V98.6Very high97.7Very high14 Ų1482 Ų829%0.08543%0.43CS..EExtended strand (participates in β ladder)trans-127.8130.3177.9177.80000107.4E37 I40 A41 I44 V83 A84 I85E37-V60 HydrophobicContact CB-CB 4.33Å; E37-V60 HydrophobicContact CB-CG1 4.08Å; E37-V60 HydrophobicContact CG-CG1 4.21Å; I40-V60 HydrophobicContact CB-CG1 4.41Å; I40-V60 HydrophobicContact CG2-CG1 4.12Å; I40-V60 HydrophobicContact CG2-CG2 4.03Å; A41-V60 HydrophobicContact CB-CB 4.15Å; A41-V60 HydrophobicContact CB-CG2 3.7Å; I44-V60 HydrophobicContact CD1-CG2 4.38Å; V60-V83 HydrophobicContact CG1-CG1 3.43Å; V60-V83 VanDerWaalsContact CG1-CG1 3.43Å; V60-A84 WeakPolarHBondContact CA-O 3.45Å; V60-I85 HydrophobicContact CG2-CG1 4.24Å; V60-I85 HydrophobicContact CG2-CG2 4.4Å
61G98Very high97.7Very high6 Ų676.7 Ų76.76%0.06241%0.408CS..EExtended strand (participates in β ladder)trans-176.1156-17900000113.5E37 A84E37-G61 WeakPolarHBondContact OE1-CA 3.11Å; G61-A84 PolarHBondContact N-O 3.38Å; G61-A84 PolarHBondContact O-N 3.32Å
62R96.7Very high97.7Very high169 Ų16976.2 Ų76.264%0.63842%0.415SS*.SBendtrans-78.5-27.5172.7-63.3-176.7-175.3-158.41.5113.6E37 V83E37-R62 PolarHBondContact OE1-N 3.37Å; R62-V83 HydrophobicContact CG-CG2 4.07Å
63N95.7Very high97.7Very high157 Ų15781.2 Ų81.284%0.8444%0.436SS*.SBendtrans-147.2108.3-178.4-173.316.5000110.4
64F97.8Very high97.7Very high52 Ų5277.9 Ų77.923%0.22842%0.417CS..  trans-154.8156.6171.165.8-92.3000110.4V59 Y77 A84 L86V59-F64 HydrophobicContact CB-CZ 4.49Å; V59-F64 HydrophobicContact CG1-CD1 4.29Å; V59-F64 HydrophobicContact CG1-CD2 4.22Å; V59-F64 HydrophobicContact CG1-CE1 4.2Å; V59-F64 HydrophobicContact CG1-CE2 4.16Å; V59-F64 HydrophobicContact CG1-CG 4.29Å; V59-F64 HydrophobicContact CG1-CZ 4.14Å; F64-Y77 HydrophobicContact CE2-CE2 4.19Å; F64-Y77 AromaticContact CZ-CE2 3.84Å; F64-Y77 HydrophobicContact CZ-CE2 3.84Å; F64-A84 HydrophobicContact CE1-CB 3.65Å; F64-A84 HydrophobicContact CZ-CB 3.99Å; F64-L86 HydrophobicContact CE2-CB 4.03Å; F64-L86 HydrophobicContact CE2-CD2 4.24Å; F64-L86 HydrophobicContact CZ-CB 3.94Å
65G96.8Very high97.7Very high78 Ų7874.8 Ų74.880%0.80440%0.395SS*.  trans-114.8150.6162.900000109.3
66S96.6Very high97.8Very high62 Ų6272 Ų7243%0.43438%0.378SS..  trans-140.5140.6-178.460.20000111L86S66-L86 WeakPolarHBondContact OG-CD2 3.35Å
67Y97Very high97.8Very high233 Ų23374.2 Ų74.291%0.91439%0.387SS*.  trans-129.499.4168.5-165.8-85.3000107.3
68V97.2Very high97.8Very high51 Ų5171.2 Ų71.231%0.30937%0.373SS..  trans-127.8145.2-170.1-59.90000111.1F75 L86 F88V68-F75 HydrophobicContact CG2-CE2 4.01Å; V68-L86 HydrophobicContact CG2-CD2 4.44Å; V68-F88 HydrophobicContact CB-CE1 4.25Å; V68-F88 HydrophobicContact CB-CE2 4.08Å; V68-F88 HydrophobicContact CB-CZ 3.91Å; V68-F88 HydrophobicContact CG1-CE1 4Å; V68-F88 HydrophobicContact CG1-CE2 4.43Å; V68-F88 HydrophobicContact CG1-CZ 3.77Å; V68-F88 HydrophobicContact CG2-CD1 4.2Å; V68-F88 HydrophobicContact CG2-CD2 4.44Å; V68-F88 HydrophobicContact CG2-CE1 4.16Å; V68-F88 HydrophobicContact CG2-CE2 4.41Å; V68-F88 HydrophobicContact CG2-CG 4.34Å; V68-F88 HydrophobicContact CG2-CZ 4.26Å
69T97.6Very high97.7Very high115 Ų11573.6 Ų73.671%0.70638%0.379SS*.  trans-100131.5168.7-54.60000108.5S90T69-S90 PolarHBondContact O-OG 3.46Å
70H97.6Very high97.5Very high63 Ų6370.9 Ų70.929%0.29236%0.363SS..  trans-130.7158.1-177.159.9-87.5000111.3D14 F75 F88 K89D14-H70 IonicContact OD2-NE2 3.91Å; H70-F75 HydrophobicContact CB-CB 4.43Å; H70-F75 HydrophobicContact CB-CD2 4.24Å; H70-F75 WeakPolarHBondContact CD2-CB 3.49Å; H70-F75 AromaticContact CD2-CG 3.99Å; H70-F75 AromaticContact CE1-CD2 3.63Å; H70-F75 AromaticContact CE1-CG 3.76Å; H70-F75 AromaticContact CG-CD2 3.68Å; H70-F75 AromaticContact ND1-CD2 3.39Å; H70-F75 WeakPolarHBondContact ND1-CD2 3.18Å; H70-F75 AromaticContact ND1-CG 3.93Å; H70-F75 WeakPolarHBondContact NE2-CB 3.33Å; H70-F75 AromaticContact NE2-CG 3.8Å; H70-F88 HydrophobicContact CB-CB 3.87Å; H70-F88 HydrophobicContact CB-CD2 3.98Å; H70-F88 HydrophobicContact CB-CG 4.32Å; H70-K89 CarbonylContact C-O 3.45Å; H70-K89 VanDerWaalsContact CA-O 3.26Å; H70-K89 WeakPolarHBondContact CA-O 2.95Å; H70-K89 WeakPolarHBondContact CB-O 3.23Å
71E97.8Very high97.3Very high56 Ų5672.6 Ų72.626%0.26238%0.384SS..  trans-67.2140.7169.5-68.9170.3-135.100110.9H74 K89 G91E71-H74 PolarHBondContact O-N 2.94Å; E71-K89 HydrophobicContact CB-CB 4.47Å; E71-K89 PolarHBondContact N-O 2.79Å; E71-K89 WeakPolarHBondContact OE1-CG 3.26Å; E71-K89 WeakPolarHBondContact OE2-CD 3.48Å; E71-K89 VanDerWaalsContact OE2-CE 3.28Å; E71-K89 WeakPolarHBondContact OE2-CE 3.31Å; E71-G91 PolarHBondContact OE1-N 2.99Å
72T97.3Very high97.1Very high109 Ų10979.2 Ų79.267%0.66941%0.413SS*.THydrogen-bonded Turntrans-55.2137.8179-54.50000111.8H74T72-H74 VanDerWaalsContact C-N 3.28Å; T72-H74 PolarHBondContact O-N 3.41Å; T72-H74 PolarHBondContact O-ND1 3.01Å
73K97.8Very high97.1Very high139 Ų13971.9 Ų71.960%0.60439%0.387SS*.THydrogen-bonded Turntrans65.120-178.7-60.2176.8-178.1-175.90115.7D14 M15D14-K73 VanDerWaalsContact CG-N 3.32Å; D14-K73 CarbonylContact O-C 3.5Å; D14-K73 WeakPolarHBondContact O-CA 3.27Å; D14-K73 WeakPolarHBondContact OD1-CA 3.4Å; D14-K73 PolarHBondContact OD1-N 3.35Å; D14-K73 PolarHBondContact OD2-N 3.46Å; M15-K73 WeakPolarHBondContact CA-O 3.5Å; M15-K73 WeakPolarHBondContact CB-O 3.33Å
74H98.5Very high97.2Very high43 Ų4364.5 Ų64.520%0.19935%0.347CS..  trans-133.848.3179.4-5988.8000112.6D14 W56 E71 T72 F88 K89D14-H74 PolarHBondContact O-N 2.81Å; W56-H74 HydrophobicContact CH2-CB 3.83Å; W56-H74 AromaticContact CH2-CD2 3.92Å; W56-H74 HydrophobicContact CZ2-CB 4.33Å; W56-H74 AromaticContact CZ2-CD2 3.69Å; W56-H74 HydrophobicContact CZ3-CB 4.3Å; E71-H74 PolarHBondContact O-N 2.94Å; T72-H74 VanDerWaalsContact C-N 3.28Å; T72-H74 PolarHBondContact O-N 3.41Å; T72-H74 PolarHBondContact O-ND1 3.01Å; H74-F88 CarbonylContact O-C 3.43Å; H74-F88 WeakPolarHBondContact O-CA 3.47Å; H74-K89 HydrophobicContact CB-CB 3.44Å; H74-K89 VanDerWaalsContact CB-CB 3.44Å; H74-K89 HydrophobicContact CB-CD 4.29Å; H74-K89 PolarHBondContact O-N 3.3Å
75F98.6Very high97.2Very high17 Ų1762 Ų628%0.07534%0.337CS..EExtended strand (participates in β ladder)trans-140.1135.6179.1176-78.7000112.9N12 D14 V68 H70 L86 F88N12-F75 HydrophobicContact CB-CE1 4.08Å; D14-F75 CarbonylContact C-O 2.86Å; D14-F75 HydrophobicContact CB-CB 4.34Å; D14-F75 PolarHBondContact N-O 3.07Å; D14-F75 PolarHBondContact O-N 2.89Å; V68-F75 HydrophobicContact CG2-CE2 4.01Å; H70-F75 HydrophobicContact CB-CB 4.43Å; H70-F75 HydrophobicContact CB-CD2 4.24Å; H70-F75 WeakPolarHBondContact CD2-CB 3.49Å; H70-F75 AromaticContact CD2-CG 3.99Å; H70-F75 AromaticContact CE1-CD2 3.63Å; H70-F75 AromaticContact CE1-CG 3.76Å; H70-F75 AromaticContact CG-CD2 3.68Å; H70-F75 AromaticContact ND1-CD2 3.39Å; H70-F75 WeakPolarHBondContact ND1-CD2 3.18Å; H70-F75 AromaticContact ND1-CG 3.93Å; H70-F75 WeakPolarHBondContact NE2-CB 3.33Å; H70-F75 AromaticContact NE2-CG 3.8Å; F75-L86 HydrophobicContact CD2-CD1 4.31Å; F75-L86 HydrophobicContact CE2-CD1 3.43Å; F75-L86 VanDerWaalsContact CE2-CD1 3.43Å; F75-L86 HydrophobicContact CZ-CD1 3.53Å; F75-F88 HydrophobicContact CB-CB 4.38Å; F75-F88 HydrophobicContact CD2-CB 3.68Å; F75-F88 HydrophobicContact CE2-CB 4.46Å; F75-F88 HydrophobicContact CG-CB 4.42Å
76I98.8Very high97.3Very high0 Ų058.3 Ų58.30%030%0.298CS..EExtended strand (participates in β ladder)trans-146.4139.2170.3-168.6179.5000110.9V13 M15 Q20 A23 F78 L87V13-I76 HydrophobicContact CB-CG1 4.4Å; V13-I76 HydrophobicContact CG2-CB 4.39Å; V13-I76 HydrophobicContact CG2-CG1 4.12Å; M15-I76 HydrophobicContact CE-CB 3.68Å; M15-I76 HydrophobicContact CE-CG2 3.64Å; M15-I76 HydrophobicContact SD-CB 3.83Å; M15-I76 HydrophobicContact SD-CD1 4.26Å; M15-I76 HydrophobicContact SD-CG2 4.05Å; Q20-I76 HydrophobicContact CB-CD1 4.23Å; Q20-I76 HydrophobicContact CG-CD1 3.78Å; A23-I76 HydrophobicContact CB-CD1 4.11Å; A23-I76 HydrophobicContact CB-CG2 3.96Å; I76-F78 HydrophobicContact CD1-CD1 3.78Å; I76-F78 HydrophobicContact CD1-CE1 4.19Å; I76-F78 HydrophobicContact CG1-CD1 3.88Å; I76-F78 HydrophobicContact CG2-CD1 4.36Å; I76-F78 HydrophobicContact CG2-CE1 4.33Å; I76-L87 HydrophobicContact CG2-CB 3.81Å; I76-L87 HydrophobicContact CG2-CD2 4.19Å; I76-L87 HydrophobicContact CG2-CG 4.36Å; I76-L87 PolarHBondContact N-O 2.81Å; I76-L87 PolarHBondContact O-N 2.92Å
77Y98.6Very high97.4Very high46 Ų4655.4 Ų55.418%0.1828%0.278CS..EExtended strand (participates in β ladder)trans-129.9118.8171.5178.6-123.7000109.8K11 N12 F64 Y79 A84 I85 L86K11-Y77 HydrophobicContact CB-CD1 3.57Å; K11-Y77 HydrophobicContact CB-CE1 3.92Å; K11-Y77 HydrophobicContact CB-CG 4.49Å; K11-Y77 HydrophobicContact CG-CD1 4.28Å; K11-Y77 HydrophobicContact CG-CE1 4.19Å; K11-Y77 PolarHBondContact N-O 2.77Å; N12-Y77 PolarHBondContact N-O 3.41Å; N12-Y77 VanDerWaalsContact N-O 3.13Å; N12-Y77 PolarHBondContact O-N 3.38Å; F64-Y77 HydrophobicContact CE2-CE2 4.19Å; F64-Y77 AromaticContact CZ-CE2 3.84Å; F64-Y77 HydrophobicContact CZ-CE2 3.84Å; Y77-Y79 HydrophobicContact CE1-CE2 4.14Å; Y77-Y79 AromaticContact CZ-CE2 3.8Å; Y77-Y79 WeakPolarHBondContact OH-CE2 3.48Å; Y77-Y79 PolarHBondContact OH-OH 3.26Å; Y77-Y79 VanDerWaalsContact OH-OH 3.11Å; Y77-A84 HydrophobicContact CE2-CB 3.8Å; Y77-I85 WeakPolarHBondContact CA-O 3.28Å; Y77-I85 WeakPolarHBondContact CD2-O 3.33Å; Y77-L86 HydrophobicContact CD2-CB 4.02Å; Y77-L86 HydrophobicContact CD2-CD1 4.31Å
78F98.3Very high97.5Very high2 Ų245.2 Ų45.21%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-147.9160.7-177.269.1-81.5000112.4A8 V9 V10 A23 I24 A27 I76 A84 I85A8-F78 HydrophobicContact CB-CD2 4.05Å; A8-F78 HydrophobicContact CB-CE2 4.44Å; V9-F78 CarbonylContact O-C 3.59Å; V9-F78 WeakPolarHBondContact O-CA 3.38Å; V9-F78 WeakPolarHBondContact O-CB 3.47Å; V10-F78 HydrophobicContact CB-CB 4.37Å; V10-F78 HydrophobicContact CG2-CB 4.02Å; A23-F78 HydrophobicContact CB-CE1 4.32Å; I24-F78 HydrophobicContact CG1-CE2 4.3Å; I24-F78 HydrophobicContact CG1-CZ 4.47Å; A27-F78 HydrophobicContact CB-CE2 4.03Å; A27-F78 HydrophobicContact CB-CZ 3.67Å; I76-F78 HydrophobicContact CD1-CD1 3.78Å; I76-F78 HydrophobicContact CD1-CE1 4.19Å; I76-F78 HydrophobicContact CG1-CD1 3.88Å; I76-F78 HydrophobicContact CG2-CD1 4.36Å; I76-F78 HydrophobicContact CG2-CE1 4.33Å; F78-A84 WeakPolarHBondContact O-CA 3.34Å; F78-I85 HydrophobicContact CD1-CB 4.21Å; F78-I85 HydrophobicContact CD2-CD1 4.21Å; F78-I85 HydrophobicContact CE1-CB 3.83Å; F78-I85 HydrophobicContact CE1-CG2 3.8Å; F78-I85 HydrophobicContact CE2-CB 4.28Å; F78-I85 HydrophobicContact CE2-CD1 3.85Å; F78-I85 HydrophobicContact CE2-CG1 4.38Å; F78-I85 HydrophobicContact CZ-CB 3.88Å; F78-I85 HydrophobicContact CZ-CD1 4.23Å; F78-I85 HydrophobicContact CZ-CG1 4.25Å; F78-I85 HydrophobicContact CZ-CG2 3.99Å; F78-I85 PolarHBondContact N-O 3.28Å; F78-I85 PolarHBondContact O-N 2.8Å
79Y97.6Very high97.6Very high73 Ų7343.7 Ų43.729%0.28623%0.228SC..EExtended strand (participates in β ladder)trans-104.5138.3172.9-79.7-102.3000110.7A8 V9 K11 Y77 V83 A84A8-Y79 CarbonylContact C-O 3.5Å; A8-Y79 VanDerWaalsContact CA-O 3.27Å; A8-Y79 WeakPolarHBondContact CA-O 3.48Å; V9-Y79 PolarHBondContact N-O 2.76Å; V9-Y79 PolarHBondContact O-N 2.94Å; K11-Y79 HydrophobicContact CD-CD2 4.5Å; K11-Y79 HydrophobicContact CG-CD2 3.77Å; K11-Y79 HydrophobicContact CG-CE2 4.03Å; Y77-Y79 HydrophobicContact CE1-CE2 4.14Å; Y77-Y79 AromaticContact CZ-CE2 3.8Å; Y77-Y79 WeakPolarHBondContact OH-CE2 3.48Å; Y77-Y79 PolarHBondContact OH-OH 3.26Å; Y77-Y79 VanDerWaalsContact OH-OH 3.11Å; Y79-V83 CarbonylContact C-O 3.55Å; Y79-V83 WeakPolarHBondContact CA-O 3.27Å; Y79-A84 HydrophobicContact CD1-CB 3.98Å; Y79-A84 HydrophobicContact CD2-CB 4.33Å; Y79-A84 HydrophobicContact CE1-CB 3.65Å; Y79-A84 HydrophobicContact CE2-CB 4.03Å; Y79-A84 HydrophobicContact CG-CB 4.31Å
80A95.4Very high97.5Very high4 Ų440.4 Ų40.43%0.03321%0.209CC..EExtended strand (participates in β ladder)trans-116.598165.100000108.3R6 F31 Q82 V83 I85R6-A80 HydrophobicContact CB-CB 3.98Å; F31-A80 HydrophobicContact CD2-CB 4.22Å; F31-A80 HydrophobicContact CE2-CB 3.57Å; F31-A80 HydrophobicContact CZ-CB 4.26Å; A80-Q82 PolarHBondContact O-N 3.12Å; A80-V83 PolarHBondContact N-O 3.01Å; A80-V83 PolarHBondContact O-N 3.02Å; A80-I85 HydrophobicContact CB-CD1 3.78Å
81G92.6Very high97.3Very high50 Ų5042.8 Ų42.852%0.51525%0.251SS..THydrogen-bonded Turntrans65.2-121.7-16800000111.5
82Q93.9Very high97.2Very high145 Ų14542.1 Ų42.168%0.67825%0.25SS*.THydrogen-bonded Turntrans-94.91.8-179.7-63.6-177.7-4.400113.8A80A80-Q82 PolarHBondContact O-N 3.12Å
83V96.9Very high97.2Very high15 Ų1538.6 Ų38.69%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-107.2128.7-177.2-177.10000108.5F31 V60 R62 Y79 A80F31-V83 HydrophobicContact CE1-CB 4.29Å; F31-V83 HydrophobicContact CE1-CG1 4.24Å; F31-V83 HydrophobicContact CE1-CG2 4.37Å; F31-V83 HydrophobicContact CZ-CB 3.91Å; F31-V83 HydrophobicContact CZ-CG1 3.83Å; F31-V83 HydrophobicContact CZ-CG2 4.47Å; V60-V83 HydrophobicContact CG1-CG1 3.43Å; V60-V83 VanDerWaalsContact CG1-CG1 3.43Å; R62-V83 HydrophobicContact CG-CG2 4.07Å; Y79-V83 CarbonylContact C-O 3.55Å; Y79-V83 WeakPolarHBondContact CA-O 3.27Å; A80-V83 PolarHBondContact N-O 3.01Å; A80-V83 PolarHBondContact O-N 3.02Å
84A98.1Very high97.2Very high1 Ų133 Ų331%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-91144.4173.500000110.5V60 G61 F64 Y77 F78 Y79V60-A84 WeakPolarHBondContact CA-O 3.45Å; G61-A84 PolarHBondContact N-O 3.38Å; G61-A84 PolarHBondContact O-N 3.32Å; F64-A84 HydrophobicContact CE1-CB 3.65Å; F64-A84 HydrophobicContact CZ-CB 3.99Å; Y77-A84 HydrophobicContact CE2-CB 3.8Å; F78-A84 WeakPolarHBondContact O-CA 3.34Å; Y79-A84 HydrophobicContact CD1-CB 3.98Å; Y79-A84 HydrophobicContact CD2-CB 4.33Å; Y79-A84 HydrophobicContact CE1-CB 3.65Å; Y79-A84 HydrophobicContact CE2-CB 4.03Å; Y79-A84 HydrophobicContact CG-CB 4.31Å
85I98.6Very high97.1Very high0 Ų032.4 Ų32.40%021%0.208CC..EExtended strand (participates in β ladder)trans-125.8119.7177.5-58.190.8000107F31 I44 V59 V60 Y77 F78 A80F31-I85 HydrophobicContact CE2-CD1 3.87Å; F31-I85 HydrophobicContact CE2-CG1 4.41Å; F31-I85 HydrophobicContact CZ-CD1 4.08Å; I44-I85 HydrophobicContact CD1-CG2 4.08Å; V59-I85 WeakPolarHBondContact O-CA 3.24Å; V60-I85 HydrophobicContact CG2-CG1 4.24Å; V60-I85 HydrophobicContact CG2-CG2 4.4Å; Y77-I85 WeakPolarHBondContact CA-O 3.28Å; Y77-I85 WeakPolarHBondContact CD2-O 3.33Å; F78-I85 HydrophobicContact CD1-CB 4.21Å; F78-I85 HydrophobicContact CD2-CD1 4.21Å; F78-I85 HydrophobicContact CE1-CB 3.83Å; F78-I85 HydrophobicContact CE1-CG2 3.8Å; F78-I85 HydrophobicContact CE2-CB 4.28Å; F78-I85 HydrophobicContact CE2-CD1 3.85Å; F78-I85 HydrophobicContact CE2-CG1 4.38Å; F78-I85 HydrophobicContact CZ-CB 3.88Å; F78-I85 HydrophobicContact CZ-CD1 4.23Å; F78-I85 HydrophobicContact CZ-CG1 4.25Å; F78-I85 HydrophobicContact CZ-CG2 3.99Å; F78-I85 PolarHBondContact N-O 3.28Å; F78-I85 PolarHBondContact O-N 2.8Å; A80-I85 HydrophobicContact CB-CD1 3.78Å
86L98.8Very high97Very high1 Ų133.4 Ų33.41%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-109.912117017267.2000107.5C58 V59 F64 S66 V68 F75 Y77 F88C58-L86 CarbonylContact C-O 3.6Å; C58-L86 VanDerWaalsContact CA-O 3.3Å; C58-L86 WeakPolarHBondContact CA-O 3.14Å; V59-L86 HydrophobicContact CB-CB 4.23Å; V59-L86 HydrophobicContact CG2-CD2 4.43Å; V59-L86 PolarHBondContact N-O 2.76Å; V59-L86 PolarHBondContact O-N 3.01Å; F64-L86 HydrophobicContact CE2-CB 4.03Å; F64-L86 HydrophobicContact CE2-CD2 4.24Å; F64-L86 HydrophobicContact CZ-CB 3.94Å; S66-L86 WeakPolarHBondContact OG-CD2 3.35Å; V68-L86 HydrophobicContact CG2-CD2 4.44Å; F75-L86 HydrophobicContact CD2-CD1 4.31Å; F75-L86 HydrophobicContact CE2-CD1 3.43Å; F75-L86 VanDerWaalsContact CE2-CD1 3.43Å; F75-L86 HydrophobicContact CZ-CD1 3.53Å; Y77-L86 HydrophobicContact CD2-CB 4.02Å; Y77-L86 HydrophobicContact CD2-CD1 4.31Å; L86-F88 HydrophobicContact CD1-CD1 4.32Å; L86-F88 HydrophobicContact CD2-CD1 4.25Å; L86-F88 HydrophobicContact CD2-CE1 4.12Å; L86-F88 HydrophobicContact CG-CD1 3.94Å; L86-F88 HydrophobicContact CG-CE1 4.25Å
87L98.9Very high96.9Very high1 Ų135.6 Ų35.61%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-131.6123.6-179.5175.266.8000108.6A23 I44 F48 W56 H57 C58 I76A23-L87 HydrophobicContact CB-CD2 3.97Å; I44-L87 HydrophobicContact CG2-CD1 4.03Å; I44-L87 HydrophobicContact CG2-CD2 3.8Å; I44-L87 HydrophobicContact CG2-CG 4.45Å; F48-L87 HydrophobicContact CD1-CD2 3.65Å; F48-L87 HydrophobicContact CD1-CG 4.34Å; F48-L87 HydrophobicContact CD2-CD2 3.85Å; F48-L87 HydrophobicContact CE1-CD2 3.58Å; F48-L87 HydrophobicContact CE2-CD2 3.8Å; F48-L87 HydrophobicContact CG-CD1 4.37Å; F48-L87 HydrophobicContact CG-CD2 3.79Å; F48-L87 HydrophobicContact CZ-CD2 3.67Å; W56-L87 HydrophobicContact CB-CD1 4.4Å; W56-L87 HydrophobicContact CD2-CD1 4.47Å; W56-L87 HydrophobicContact CE3-CD1 3.71Å; W56-L87 HydrophobicContact CE3-CD2 4.44Å; W56-L87 HydrophobicContact CE3-CG 3.75Å; W56-L87 HydrophobicContact CZ3-CD1 4.41Å; W56-L87 HydrophobicContact CZ3-CD2 4.42Å; W56-L87 HydrophobicContact CZ3-CG 3.94Å; H57-L87 WeakPolarHBondContact O-CA 3.44Å; H57-L87 WeakPolarHBondContact O-CD1 3.47Å; C58-L87 HydrophobicContact CB-CD1 4.04Å; I76-L87 HydrophobicContact CG2-CB 3.81Å; I76-L87 HydrophobicContact CG2-CD2 4.19Å; I76-L87 HydrophobicContact CG2-CG 4.36Å; I76-L87 PolarHBondContact N-O 2.81Å; I76-L87 PolarHBondContact O-N 2.92Å
88F98.8Very high96.8Very high18 Ų1834.9 Ų34.98%0.07923%0.234CC..EExtended strand (participates in β ladder)trans-151.2156-177.966.6-82.9000112.1W56 H57 V68 H70 H74 F75 L86W56-F88 CarbonylContact C-O 3.55Å; W56-F88 WeakPolarHBondContact CA-O 3.45Å; H57-F88 HydrophobicContact CB-CD1 4.13Å; H57-F88 HydrophobicContact CB-CD2 4.23Å; H57-F88 HydrophobicContact CB-CE1 3.66Å; H57-F88 HydrophobicContact CB-CE2 3.77Å; H57-F88 HydrophobicContact CB-CG 4.4Å; H57-F88 HydrophobicContact CB-CZ 3.46Å; H57-F88 VanDerWaalsContact CB-CZ 3.46Å; H57-F88 AromaticContact CD2-CE2 3.74Å; H57-F88 AromaticContact CG-CE2 3.89Å; H57-F88 AromaticContact CG-CZ 3.94Å; H57-F88 PolarHBondContact N-O 2.87Å; H57-F88 PolarHBondContact O-N 2.65Å; V68-F88 HydrophobicContact CB-CE1 4.25Å; V68-F88 HydrophobicContact CB-CE2 4.08Å; V68-F88 HydrophobicContact CB-CZ 3.91Å; V68-F88 HydrophobicContact CG1-CE1 4Å; V68-F88 HydrophobicContact CG1-CE2 4.43Å; V68-F88 HydrophobicContact CG1-CZ 3.77Å; V68-F88 HydrophobicContact CG2-CD1 4.2Å; V68-F88 HydrophobicContact CG2-CD2 4.44Å; V68-F88 HydrophobicContact CG2-CE1 4.16Å; V68-F88 HydrophobicContact CG2-CE2 4.41Å; V68-F88 HydrophobicContact CG2-CG 4.34Å; V68-F88 HydrophobicContact CG2-CZ 4.26Å; H70-F88 HydrophobicContact CB-CB 3.87Å; H70-F88 HydrophobicContact CB-CD2 3.98Å; H70-F88 HydrophobicContact CB-CG 4.32Å; H74-F88 CarbonylContact O-C 3.43Å; H74-F88 WeakPolarHBondContact O-CA 3.47Å; F75-F88 HydrophobicContact CB-CB 4.38Å; F75-F88 HydrophobicContact CD2-CB 3.68Å; F75-F88 HydrophobicContact CE2-CB 4.46Å; F75-F88 HydrophobicContact CG-CB 4.42Å; L86-F88 HydrophobicContact CD1-CD1 4.32Å; L86-F88 HydrophobicContact CD2-CD1 4.25Å; L86-F88 HydrophobicContact CD2-CE1 4.12Å; L86-F88 HydrophobicContact CG-CD1 3.94Å; L86-F88 HydrophobicContact CG-CE1 4.25Å
89K98.6Very high96.7Very high20 Ų2037.4 Ų37.49%0.08725%0.251CS..EExtended strand (participates in β ladder)trans-101.6137.2175.5-163-179.8169.8159.30111.3H52 N53 P54 T55 W56 H70 E71 H74H52-K89 PolarHBondContact O-NZ 3.31Å; N53-K89 PolarHBondContact O-NZ 3.36Å; N53-K89 VanDerWaalsContact O-NZ 3.12Å; P54-K89 WeakPolarHBondContact O-CE 3.48Å; P54-K89 PolarHBondContact O-NZ 2.8Å; T55-K89 WeakPolarHBondContact O-CA 3.33Å; T55-K89 WeakPolarHBondContact O-CG 3.49Å; W56-K89 HydrophobicContact CD2-CB 4.09Å; W56-K89 HydrophobicContact CD2-CG 4.4Å; W56-K89 HydrophobicContact CE3-CB 4.16Å; W56-K89 HydrophobicContact CH2-CB 4.48Å; W56-K89 HydrophobicContact CZ2-CB 4.4Å; W56-K89 HydrophobicContact CZ2-CD 4.4Å; W56-K89 HydrophobicContact CZ3-CB 4.35Å; H70-K89 CarbonylContact C-O 3.45Å; H70-K89 VanDerWaalsContact CA-O 3.26Å; H70-K89 WeakPolarHBondContact CA-O 2.95Å; H70-K89 WeakPolarHBondContact CB-O 3.23Å; E71-K89 HydrophobicContact CB-CB 4.47Å; E71-K89 PolarHBondContact N-O 2.79Å; E71-K89 WeakPolarHBondContact OE1-CG 3.26Å; E71-K89 WeakPolarHBondContact OE2-CD 3.48Å; E71-K89 VanDerWaalsContact OE2-CE 3.28Å; E71-K89 WeakPolarHBondContact OE2-CE 3.31Å; H74-K89 HydrophobicContact CB-CB 3.44Å; H74-K89 VanDerWaalsContact CB-CB 3.44Å; H74-K89 HydrophobicContact CB-CD 4.29Å; H74-K89 PolarHBondContact O-N 3.3Å
90S97.1Very high96.6Very high45 Ų4534.4 Ų34.432%0.31525%0.248SC..  trans-159.9119.4177.1-1730000109.6T55 H57 T69T55-S90 PolarHBondContact O-N 3.05Å; H57-S90 PolarHBondContact NE2-O 3.13Å; T69-S90 PolarHBondContact O-OG 3.46Å
91G91.6Very high96.7Very high113 Ų11337.2 Ų37.2100%1.16527%0.268SS*.  trans169.8017800000110.9E71E71-G91 PolarHBondContact OE1-N 2.99Å

Retrieved 91 of 91 residues in 95.9 ms (Link to these results)

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