A0A3Q0KUT1_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A3Q0KUT1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 89 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
1M43.1Very low81.5Confident196 Ų196113.7 Ų113.797%0.96658%0.578SS**  0126.30-66.4177.3-164.400106.9E3M1-E3 PolarHBondContact O-N 3.06Å
2T52Low82.9Confident140 Ų140109.1 Ų109.186%0.85956%0.556SS**  trans-65.6106.3169.23.80000106.3K4T2-K4 PolarHBondContact O-N 2.89Å
3E56.9Low84Confident192 Ų192102 Ų10290%0.89752%0.52SS*.  trans-52.9106.7172.8-79-177.513300107.4M1 K5M1-E3 PolarHBondContact O-N 3.06Å; E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 2.87Å
4K73Confident85Confident123 Ų12399.2 Ų99.254%0.53551%0.514SS..  trans-67.2101.3175-71.9179.9-175.6167.40105.7T2 A6 L78T2-K4 PolarHBondContact O-N 2.89Å; K4-A6 PolarHBondContact O-N 3.35Å; K4-A6 VanDerWaalsContact O-N 3.11Å; K4-L78 HydrophobicContact CB-CD2 4.29Å; K4-L78 WeakPolarHBondContact O-CD2 3.27Å
5K87.3Confident85.9Confident179 Ų179103.7 Ų103.778%0.77853%0.532SS*.  trans-55.8119.6178.5-174.4177.7-179.3178.50109E3E3-K5 VanDerWaalsContact C-N 3.33Å; E3-K5 PolarHBondContact O-N 2.87Å
6A95.4Very high86.6Confident30 Ų30107.2 Ų107.225%0.24855%0.545CS..EExtended strand (participates in β ladder)trans-67.2134.8173.600000110K4 V22 Y77 L78K4-A6 PolarHBondContact O-N 3.35Å; K4-A6 VanDerWaalsContact O-N 3.11Å; A6-V22 HydrophobicContact CB-CB 4.48Å; A6-V22 HydrophobicContact CB-CG1 3.53Å; A6-V22 HydrophobicContact CB-CG2 4.03Å; A6-Y77 CarbonylContact C-O 2.87Å; A6-Y77 WeakPolarHBondContact CA-O 3.42Å; A6-L78 HydrophobicContact CB-CD2 3.73Å; A6-L78 HydrophobicContact CB-CG 4.47Å
7V97.3Very high87.3Confident65 Ų65102.7 Ų102.739%0.39452%0.522SS..EExtended strand (participates in β ladder)trans-119.3100.2172.8-178.90000107.8K9 L76 Y77V7-K9 HydrophobicContact CG1-CD 4.24Å; V7-K9 PolarHBondContact O-N 2.87Å; V7-L76 CarbonylContact O-C 3.6Å; V7-L76 VanDerWaalsContact O-CA 3.32Å; V7-L76 WeakPolarHBondContact O-CA 3.42Å; V7-Y77 PolarHBondContact N-O 3.37Å; V7-Y77 PolarHBondContact O-N 3.02Å
8I97.8Very high87.9Confident68 Ų6899.1 Ų99.135%0.34950%0.503SS..EExtended strand (participates in β ladder)trans-73.3122.8174.8-56.6177.8000107.8A11 Q18 V22 I74 L76I8-A11 HydrophobicContact CG2-CB 3.97Å; I8-Q18 HydrophobicContact CD1-CB 4.05Å; I8-V22 HydrophobicContact CD1-CG2 4.36Å; I8-I74 HydrophobicContact CD1-CD1 4.22Å; I8-I74 HydrophobicContact CG1-CD1 4.41Å; I8-I74 HydrophobicContact CG2-CD1 4.46Å; I8-I74 HydrophobicContact CG2-CG1 4.29Å; I8-L76 HydrophobicContact CG1-CB 4.27Å
9K97.6Very high88.4Confident130 Ų13096.4 Ų96.457%0.56550%0.497SS*.EExtended strand (participates in β ladder)trans-95.8-37.8-179.9-68.7-62.3-175.2-179.10111.7V7 Y75 Y77V7-K9 HydrophobicContact CG1-CD 4.24Å; V7-K9 PolarHBondContact O-N 2.87Å; K9-Y75 HydrophobicContact CB-CD1 3.48Å; K9-Y75 VanDerWaalsContact CB-CD1 3.48Å; K9-Y75 HydrophobicContact CB-CE1 3.81Å; K9-Y75 HydrophobicContact CB-CG 4.34Å; K9-Y75 HydrophobicContact CG-CD1 4.2Å; K9-Y75 HydrophobicContact CG-CE1 4.08Å; K9-Y75 PolarHBondContact N-O 2.86Å; K9-Y77 HydrophobicContact CD-CD2 4.43Å; K9-Y77 HydrophobicContact CG-CD2 3.69Å; K9-Y77 HydrophobicContact CG-CE2 3.93Å
10N97.8Very high88.9Confident98 Ų9895.8 Ų95.852%0.52449%0.492SS..EExtended strand (participates in β ladder)trans-155.1145.9174.3-1644.2000109.3F73 Y75N10-F73 HydrophobicContact CB-CE1 4.24Å; N10-Y75 PolarHBondContact N-O 3.44Å; N10-Y75 VanDerWaalsContact N-O 3.15Å; N10-Y75 PolarHBondContact O-N 3.4Å
11A98.1Very high89.3Confident30 Ų3091.2 Ų91.225%0.24847%0.468CS..EExtended strand (participates in β ladder)trans-155136.8176.500000110.1I8 M13 Q18 F73 I74I8-A11 HydrophobicContact CG2-CB 3.97Å; A11-M13 HydrophobicContact CB-CG 4.41Å; A11-Q18 HydrophobicContact CB-CG 4.21Å; A11-F73 CarbonylContact C-O 3.6Å; A11-F73 VanDerWaalsContact CA-O 3.3Å; A11-F73 WeakPolarHBondContact CA-O 3.41Å; A11-I74 HydrophobicContact CB-CB 4.44Å; A11-I74 HydrophobicContact CB-CG1 4.12Å
12D98.3Very high91.9Very high58 Ų5883.1 Ų83.131%0.3143%0.43SS..EExtended strand (participates in β ladder)trans-120.586.3162.3174.129.1000106.7H68 K71 H72 F73D12-H68 IonicContact OD2-NE2 3.9Å; D12-K71 CarbonylContact O-C 3.55Å; D12-K71 WeakPolarHBondContact O-CA 3.14Å; D12-K71 PolarHBondContact OD2-N 2.93Å; D12-H72 PolarHBondContact O-N 3.11Å; D12-F73 CarbonylContact C-O 3.5Å; D12-F73 HydrophobicContact CB-CB 4.37Å; D12-F73 PolarHBondContact N-O 2.86Å; D12-F73 PolarHBondContact O-N 3.15Å
13M98Very high94.1Very high17 Ų1783.4 Ų83.48%0.08442%0.419CS..SBendtrans-175.4166.6177.265.3-165.6-33.600110.1A11 M17 Q18 V21 W54 K71 I74A11-M13 HydrophobicContact CB-CG 4.41Å; M13-M17 HydrophobicContact CB-SD 4.48Å; M13-M17 HydrophobicContact CE-CB 3.86Å; M13-M17 HydrophobicContact CE-CG 3.36Å; M13-M17 HydrophobicContact CE-SD 3.19Å; M13-M17 WeakPolarHBondContact CE-SD 3.35Å; M13-Q18 HydrophobicContact CG-CG 3.4Å; M13-Q18 VanDerWaalsContact CG-CG 3.4Å; M13-Q18 PolarHBondContact O-NE2 2.9Å; M13-Q18 HydrophobicContact SD-CG 3.85Å; M13-V21 HydrophobicContact CE-CG2 4.13Å; M13-W54 HydrophobicContact CE-CH2 3.97Å; M13-K71 WeakPolarHBondContact CB-O 3.32Å; M13-I74 HydrophobicContact SD-CB 3.56Å; M13-I74 VanDerWaalsContact SD-CB 3.56Å; M13-I74 HydrophobicContact SD-CD1 4.07Å; M13-I74 HydrophobicContact SD-CG1 4.3Å; M13-I74 HydrophobicContact SD-CG2 3.9Å
14S97.9Very high96Very high63 Ų6374.4 Ų74.444%0.44138%0.377SS..  trans-67.7150.5179.364.70000112.8E16 M17 Q18S14-E16 VanDerWaalsContact C-N 3.26Å; S14-E16 PolarHBondContact O-N 3.01Å; S14-M17 PolarHBondContact O-N 2.81Å; S14-M17 WeakPolarHBondContact OG-CB 3.49Å; S14-M17 PolarHBondContact OG-N 2.83Å; S14-Q18 WeakPolarHBondContact O-CG 3.18Å; S14-Q18 PolarHBondContact O-N 3.43Å
15E97.6Very high97.2Very high167 Ų16768.5 Ų68.578%0.7835%0.352SS*.Hα-helixtrans-57.9-36.7178.3-66.3-172.3168.700112.9Q18 A19E15-Q18 PolarHBondContact O-N 2.93Å; E15-A19 PolarHBondContact O-N 2.83Å
16E97.6Very high97.7Very high159 Ų15961.5 Ų61.574%0.74333%0.327SS*.Hα-helixtrans-59.4-47.8172.9-85.6171.3145.500111.6S14 Q18 A19 E20S14-E16 VanDerWaalsContact C-N 3.26Å; S14-E16 PolarHBondContact O-N 3.01Å; E16-Q18 VanDerWaalsContact C-N 3.34Å; E16-Q18 PolarHBondContact O-N 3Å; E16-A19 PolarHBondContact O-N 3.41Å; E16-E20 WeakPolarHBondContact O-CG 3.45Å; E16-E20 PolarHBondContact O-N 3.24Å
17M98Very high97.8Very high31 Ų3164.3 Ų64.315%0.15334%0.335CS..Hα-helixtrans-68.1-35.5178.7-161.6-175.5-71.500111.2M13 S14 A19 E20 V21 Y50 W54M13-M17 HydrophobicContact CB-SD 4.48Å; M13-M17 HydrophobicContact CE-CB 3.86Å; M13-M17 HydrophobicContact CE-CG 3.36Å; M13-M17 HydrophobicContact CE-SD 3.19Å; M13-M17 WeakPolarHBondContact CE-SD 3.35Å; S14-M17 PolarHBondContact O-N 2.81Å; S14-M17 WeakPolarHBondContact OG-CB 3.49Å; S14-M17 PolarHBondContact OG-N 2.83Å; M17-A19 PolarHBondContact O-N 3.41Å; M17-E20 PolarHBondContact O-N 3.38Å; M17-V21 HydrophobicContact CG-CG2 4.42Å; M17-V21 WeakPolarHBondContact O-CB 3.41Å; M17-V21 WeakPolarHBondContact O-CG2 3.43Å; M17-V21 PolarHBondContact O-N 3.16Å; M17-Y50 HydrophobicContact CE-CD1 3.64Å; M17-Y50 HydrophobicContact CE-CE1 3.92Å; M17-Y50 HydrophobicContact CE-CG 4.15Å; M17-Y50 HydrophobicContact CG-CD1 4.3Å; M17-Y50 HydrophobicContact CG-CD2 4.49Å; M17-Y50 HydrophobicContact CG-CE1 3.8Å; M17-Y50 HydrophobicContact CG-CE2 4.01Å; M17-Y50 HydrophobicContact SD-CD1 4.1Å; M17-Y50 HydrophobicContact SD-CD2 4.32Å; M17-Y50 HydrophobicContact SD-CE1 4.22Å; M17-Y50 HydrophobicContact SD-CE2 4.42Å; M17-Y50 HydrophobicContact SD-CG 4.15Å; M17-W54 HydrophobicContact SD-CH2 4.42Å; M17-W54 HydrophobicContact SD-CZ2 4.45Å
18Q98.4Very high97.8Very high37 Ų3761.2 Ų61.217%0.17332%0.317CS..Hα-helixtrans-59.2-46.7172.5-63.9179.334.600111.1I8 A11 M13 S14 E15 E16 E20 V21 V22 I74I8-Q18 HydrophobicContact CD1-CB 4.05Å; A11-Q18 HydrophobicContact CB-CG 4.21Å; M13-Q18 HydrophobicContact CG-CG 3.4Å; M13-Q18 VanDerWaalsContact CG-CG 3.4Å; M13-Q18 PolarHBondContact O-NE2 2.9Å; M13-Q18 HydrophobicContact SD-CG 3.85Å; S14-Q18 WeakPolarHBondContact O-CG 3.18Å; S14-Q18 PolarHBondContact O-N 3.43Å; E15-Q18 PolarHBondContact O-N 2.93Å; E16-Q18 VanDerWaalsContact C-N 3.34Å; E16-Q18 PolarHBondContact O-N 3Å; Q18-E20 VanDerWaalsContact C-N 3.34Å; Q18-E20 PolarHBondContact O-N 2.92Å; Q18-V21 PolarHBondContact O-N 3.39Å; Q18-V22 WeakPolarHBondContact O-CB 3.25Å; Q18-V22 VanDerWaalsContact O-CG2 3.25Å; Q18-V22 WeakPolarHBondContact O-CG2 3.3Å; Q18-V22 PolarHBondContact O-N 3.13Å; Q18-I74 HydrophobicContact CB-CD1 4.13Å; Q18-I74 HydrophobicContact CG-CD1 4.1Å
19A97.4Very high97.7Very high48 Ų4859.2 Ų59.240%0.39731%0.306SS..Hα-helixtrans-63.2-39.9179.500000112.1E15 E16 M17 K23E15-A19 PolarHBondContact O-N 2.83Å; E16-A19 PolarHBondContact O-N 3.41Å; M17-A19 PolarHBondContact O-N 3.41Å; A19-K23 WeakPolarHBondContact O-CG 3.43Å; A19-K23 PolarHBondContact O-N 3.43Å; A19-K23 VanDerWaalsContact O-N 3.15Å
20E97.7Very high97.7Very high84 Ų8459.2 Ų59.239%0.39331%0.308SS..Hα-helixtrans-67.4-45.4175.4-70.3-169.8149.500112.3E16 M17 Q18 V22 K23 I24 Y50E16-E20 WeakPolarHBondContact O-CG 3.45Å; E16-E20 PolarHBondContact O-N 3.24Å; M17-E20 PolarHBondContact O-N 3.38Å; Q18-E20 VanDerWaalsContact C-N 3.34Å; Q18-E20 PolarHBondContact O-N 2.92Å; E20-V22 VanDerWaalsContact C-N 3.32Å; E20-V22 PolarHBondContact O-N 3.15Å; E20-K23 WeakPolarHBondContact O-CB 3.49Å; E20-K23 PolarHBondContact O-N 3.43Å; E20-K23 VanDerWaalsContact O-N 3.13Å; E20-I24 WeakPolarHBondContact O-CG1 3.41Å; E20-I24 PolarHBondContact O-N 3.03Å; E20-Y50 WeakPolarHBondContact CB-OH 3.37Å; E20-Y50 PolarHBondContact OE2-OH 2.89Å
21V98.2Very high97.6Very high0 Ų058.4 Ų58.40%031%0.307CS..Hα-helixtrans-64.1-38177.5174.60000111.3M13 M17 Q18 K23 I24 C25 Y50 I74M13-V21 HydrophobicContact CE-CG2 4.13Å; M17-V21 HydrophobicContact CG-CG2 4.42Å; M17-V21 WeakPolarHBondContact O-CB 3.41Å; M17-V21 WeakPolarHBondContact O-CG2 3.43Å; M17-V21 PolarHBondContact O-N 3.16Å; Q18-V21 PolarHBondContact O-N 3.39Å; V21-K23 VanDerWaalsContact C-N 3.32Å; V21-K23 PolarHBondContact O-N 2.89Å; V21-I24 PolarHBondContact O-N 3.17Å; V21-C25 WeakPolarHBondContact O-CB 3.37Å; V21-C25 PolarHBondContact O-N 2.79Å; V21-C25 PolarHBondContact O-SG 3.34Å; V21-Y50 HydrophobicContact CG2-CE2 4.08Å; V21-I74 HydrophobicContact CG1-CG2 3.8Å
22V98Very high97.6Very high27 Ų2761 Ų6116%0.16431%0.311CS..Hα-helixtrans-59.8-41.8173166.20000111.4A6 I8 Q18 E20 C25 A26 L76A6-V22 HydrophobicContact CB-CB 4.48Å; A6-V22 HydrophobicContact CB-CG1 3.53Å; A6-V22 HydrophobicContact CB-CG2 4.03Å; I8-V22 HydrophobicContact CD1-CG2 4.36Å; Q18-V22 WeakPolarHBondContact O-CB 3.25Å; Q18-V22 VanDerWaalsContact O-CG2 3.25Å; Q18-V22 WeakPolarHBondContact O-CG2 3.3Å; Q18-V22 PolarHBondContact O-N 3.13Å; E20-V22 VanDerWaalsContact C-N 3.32Å; E20-V22 PolarHBondContact O-N 3.15Å; V22-C25 PolarHBondContact O-N 2.92Å; V22-A26 WeakPolarHBondContact O-CB 3.42Å; V22-A26 PolarHBondContact O-N 2.88Å; V22-L76 HydrophobicContact CG2-CD2 3.95Å
23K97.4Very high97.5Very high146 Ų14665.9 Ų65.964%0.63534%0.337SS*.Hα-helixtrans-63.5-45.7175.6-70.8172.5-173.2177.70111.7A19 E20 V21 C25 A26 E27A19-K23 WeakPolarHBondContact O-CG 3.43Å; A19-K23 PolarHBondContact O-N 3.43Å; A19-K23 VanDerWaalsContact O-N 3.15Å; E20-K23 WeakPolarHBondContact O-CB 3.49Å; E20-K23 PolarHBondContact O-N 3.43Å; E20-K23 VanDerWaalsContact O-N 3.13Å; V21-K23 VanDerWaalsContact C-N 3.32Å; V21-K23 PolarHBondContact O-N 2.89Å; K23-C25 VanDerWaalsContact C-N 3.28Å; K23-C25 PolarHBondContact O-N 3.21Å; K23-A26 PolarHBondContact O-N 3.38Å; K23-E27 WeakPolarHBondContact O-CB 3.35Å; K23-E27 PolarHBondContact O-N 2.96Å
24I98.1Very high97.4Very high2 Ų269.8 Ų69.81%0.0136%0.357CS..Hα-helixtrans-58.4-42.8175.9-65.3165.7000110.4E20 V21 A28 F41 I42 E45E20-I24 WeakPolarHBondContact O-CG1 3.41Å; E20-I24 PolarHBondContact O-N 3.03Å; V21-I24 PolarHBondContact O-N 3.17Å; I24-A28 WeakPolarHBondContact O-CB 3.49Å; I24-A28 PolarHBondContact O-N 2.94Å; I24-F41 HydrophobicContact CG2-CD1 4.35Å; I24-F41 HydrophobicContact CG2-CE1 4.1Å; I24-I42 HydrophobicContact CG2-CB 4.42Å; I24-I42 HydrophobicContact CG2-CG1 4.24Å; I24-I42 HydrophobicContact CG2-CG2 4.41Å; I24-E45 HydrophobicContact CD1-CB 4.25Å; I24-E45 HydrophobicContact CG1-CB 4.49Å; I24-E45 HydrophobicContact CG2-CB 3.77Å; I24-E45 HydrophobicContact CG2-CG 4.38Å
25C98Very high97.4Very high0 Ų070.8 Ų70.80%036%0.355CS..Hα-helixtrans-65.5-40.6177.8-67.70000112.7V21 V22 K23 A28 L29 I42 L78 I83V21-C25 WeakPolarHBondContact O-CB 3.37Å; V21-C25 PolarHBondContact O-N 2.79Å; V21-C25 PolarHBondContact O-SG 3.34Å; V22-C25 PolarHBondContact O-N 2.92Å; K23-C25 VanDerWaalsContact C-N 3.28Å; K23-C25 PolarHBondContact O-N 3.21Å; C25-A28 PolarHBondContact O-N 3.08Å; C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 3.09Å; C25-L29 VanDerWaalsContact O-N 3.08Å; C25-I42 HydrophobicContact CB-CD1 4.3Å; C25-L78 HydrophobicContact CB-CD1 3.56Å; C25-I83 HydrophobicContact CB-CD1 3.67Å
26A97.1Very high97.5Very high32 Ų3269.7 Ų69.726%0.26435%0.348SS..Hα-helixtrans-64.3-47.5176.700000111.2V22 K23 A28 L29 E30 L78V22-A26 WeakPolarHBondContact O-CB 3.42Å; V22-A26 PolarHBondContact O-N 2.88Å; K23-A26 PolarHBondContact O-N 3.38Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 3.28Å; A26-L29 PolarHBondContact O-N 3.45Å; A26-L29 VanDerWaalsContact O-N 3.16Å; A26-E30 WeakPolarHBondContact O-CG 3.44Å; A26-E30 PolarHBondContact O-N 2.92Å; A26-L78 HydrophobicContact CB-CD1 4.48Å
27E97.1Very high97.5Very high89 Ų8964.4 Ų64.442%0.41633%0.325SS..Hα-helixtrans-57.8-43.5175.3-177.3-178.6176.400111.6K23 L29 E30 T31 F41K23-E27 WeakPolarHBondContact O-CB 3.35Å; K23-E27 PolarHBondContact O-N 2.96Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.42Å; E27-E30 PolarHBondContact O-N 2.86Å; E27-T31 WeakPolarHBondContact O-CB 3.49Å; E27-T31 PolarHBondContact O-N 2.8Å; E27-T31 PolarHBondContact O-OG1 2.96Å; E27-F41 HydrophobicContact CG-CE1 4.29Å; E27-F41 HydrophobicContact CG-CZ 4.11Å
28A97.9Very high97.5Very high0 Ų063.3 Ų63.30%032%0.319CS..Hα-helixtrans-61-42177.600000112.2I24 C25 A26 E30 T31 Y32 I38 F41 I42I24-A28 WeakPolarHBondContact O-CB 3.49Å; I24-A28 PolarHBondContact O-N 2.94Å; C25-A28 PolarHBondContact O-N 3.08Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 3.28Å; A28-E30 VanDerWaalsContact C-N 3.33Å; A28-T31 PolarHBondContact O-N 2.83Å; A28-Y32 WeakPolarHBondContact O-CD2 3.35Å; A28-Y32 PolarHBondContact O-N 3.41Å; A28-I38 HydrophobicContact CB-CG2 3.76Å; A28-F41 HydrophobicContact CB-CB 4.42Å; A28-F41 HydrophobicContact CB-CD1 3.55Å; A28-F41 HydrophobicContact CB-CE1 4.16Å; A28-F41 HydrophobicContact CB-CG 4.29Å; A28-I42 HydrophobicContact CB-CD1 4.07Å; A28-I42 HydrophobicContact CB-CG1 3.72Å
29L96.4Very high97.6Very high25 Ų2562.2 Ų62.213%0.13132%0.317CS..Hα-helixtrans-73.2-22.4178.8-77.8171.4000113.9C25 A26 E27 I38 L78 V81 I83C25-L29 WeakPolarHBondContact O-CG 3.49Å; C25-L29 PolarHBondContact O-N 3.09Å; C25-L29 VanDerWaalsContact O-N 3.08Å; A26-L29 PolarHBondContact O-N 3.45Å; A26-L29 VanDerWaalsContact O-N 3.16Å; E27-L29 VanDerWaalsContact C-N 3.33Å; E27-L29 PolarHBondContact O-N 3.42Å; L29-I38 HydrophobicContact CD2-CD1 3.69Å; L29-I38 HydrophobicContact CD2-CG1 4.46Å; L29-I38 HydrophobicContact CD2-CG2 4.24Å; L29-I38 HydrophobicContact CG-CG2 4.35Å; L29-L78 HydrophobicContact CD1-CB 3.48Å; L29-L78 VanDerWaalsContact CD1-CB 3.48Å; L29-L78 HydrophobicContact CD1-CD1 3.64Å; L29-L78 HydrophobicContact CD1-CG 4.19Å; L29-V81 HydrophobicContact CD2-CB 4.46Å; L29-V81 HydrophobicContact CD2-CG1 4.28Å; L29-V81 HydrophobicContact CD2-CG2 4.39Å; L29-I83 HydrophobicContact CD1-CD1 4.1Å
30E95.9Very high97.6Very high130 Ų13061.7 Ų61.761%0.60731%0.312SS*.Hα-helixtrans-81.6-32.1172.6-72.4177.1-178.100111.6A26 E27 A28A26-E30 WeakPolarHBondContact O-CG 3.44Å; A26-E30 PolarHBondContact O-N 2.92Å; E27-E30 PolarHBondContact O-N 2.86Å; A28-E30 VanDerWaalsContact C-N 3.33Å
31T97.1Very high97.7Very high82 Ų8259.2 Ų59.250%0.50330%0.3SS..Hα-helixtrans-86.5-37.6-175.9-53.40000113.1E27 A28E27-T31 WeakPolarHBondContact O-CB 3.49Å; E27-T31 PolarHBondContact O-N 2.8Å; E27-T31 PolarHBondContact O-OG1 2.96Å; A28-T31 PolarHBondContact O-N 2.83Å
32Y97.6Very high97.7Very high83 Ų8359.2 Ų59.233%0.32530%0.3SS..  trans-122.4142.8-170.5-56.7-78.6000112.1A28 D37 F41A28-Y32 WeakPolarHBondContact O-CD2 3.35Å; A28-Y32 PolarHBondContact O-N 3.41Å; Y32-D37 HydrophobicContact CD1-CB 3.86Å; Y32-D37 HydrophobicContact CG-CB 4.11Å; Y32-F41 HydrophobicContact CD2-CB 4.07Å; Y32-F41 HydrophobicContact CD2-CG 4.35Å; Y32-F41 HydrophobicContact CE2-CB 3.58Å; Y32-F41 AromaticContact CE2-CD2 3.48Å; Y32-F41 HydrophobicContact CE2-CD2 3.48Å; Y32-F41 VanDerWaalsContact CE2-CD2 3.48Å; Y32-F41 HydrophobicContact CE2-CE2 4.27Å; Y32-F41 AromaticContact CE2-CG 3.62Å; Y32-F41 HydrophobicContact CE2-CG 3.62Å
33N95.2Very high97.7Very high162 Ų16261.2 Ų61.287%0.86631%0.307SS*.SBendtrans-103.2-12.9178.6-68.9-46.6000113.8
34I97.5Very high97.8Very high98 Ų9861.2 Ų61.250%0.50331%0.307SS..SBendtrans-103.6126.2-177.2-58.5177.9000108.7K36 D37 I38I34-K36 HydrophobicContact CG2-CB 4.11Å; I34-K36 PolarHBondContact O-N 2.99Å; I34-K36 VanDerWaalsContact O-N 3.17Å; I34-D37 HydrophobicContact CB-CB 4.4Å; I34-D37 PolarHBondContact O-N 3.35Å; I34-I38 WeakPolarHBondContact O-CG1 3.28Å; I34-I38 PolarHBondContact O-N 3.28Å
35E98Very high97.8Very high85 Ų8562.7 Ų62.740%0.39731%0.314SS..Hα-helixtrans-52-41.4-177.2-66.1176.4156.800112.6D37 I38 A39 V58 G59 R60E35-D37 VanDerWaalsContact C-N 3.34Å; E35-D37 PolarHBondContact O-N 2.95Å; E35-I38 PolarHBondContact O-N 3.28Å; E35-A39 WeakPolarHBondContact O-CB 3.42Å; E35-A39 PolarHBondContact O-N 2.93Å; E35-V58 HydrophobicContact CB-CB 4.34Å; E35-V58 HydrophobicContact CB-CG1 4.19Å; E35-V58 HydrophobicContact CG-CG1 4.25Å; E35-G59 WeakPolarHBondContact OE1-CA 3.39Å; E35-R60 PolarHBondContact OE1-N 2.51Å
36K98.3Very high97.8Very high143 Ų14362.7 Ų62.762%0.62231%0.314SS*.Hα-helixtrans-58-42.7175-174.4-169.865.265.30112.7I34 A40I34-K36 HydrophobicContact CG2-CB 4.11Å; I34-K36 PolarHBondContact O-N 2.99Å; I34-K36 VanDerWaalsContact O-N 3.17Å; K36-A40 WeakPolarHBondContact O-CB 3.36Å; K36-A40 PolarHBondContact O-N 2.89Å
37D98.6Very high97.9Very high49 Ų4962.4 Ų62.426%0.26231%0.307SS..Hα-helixtrans-76.5-36.9-176.4-62.4-29000111Y32 I34 E35 A40 F41Y32-D37 HydrophobicContact CD1-CB 3.86Å; Y32-D37 HydrophobicContact CG-CB 4.11Å; I34-D37 HydrophobicContact CB-CB 4.4Å; I34-D37 PolarHBondContact O-N 3.35Å; E35-D37 VanDerWaalsContact C-N 3.34Å; E35-D37 PolarHBondContact O-N 2.95Å; D37-A40 PolarHBondContact O-N 3.48Å; D37-F41 PolarHBondContact O-N 3.31Å
38I98.6Very high98Very high7 Ų765.9 Ų65.94%0.03632%0.321CS..Hα-helixtrans-57.9-51.4170.6-60.8159.7000109.7A28 L29 I34 E35 A40 F41 I42 V58A28-I38 HydrophobicContact CB-CG2 3.76Å; L29-I38 HydrophobicContact CD2-CD1 3.69Å; L29-I38 HydrophobicContact CD2-CG1 4.46Å; L29-I38 HydrophobicContact CD2-CG2 4.24Å; L29-I38 HydrophobicContact CG-CG2 4.35Å; I34-I38 WeakPolarHBondContact O-CG1 3.28Å; I34-I38 PolarHBondContact O-N 3.28Å; E35-I38 PolarHBondContact O-N 3.28Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.25Å; I38-F41 PolarHBondContact O-N 3.05Å; I38-I42 HydrophobicContact CG2-CD1 3.81Å; I38-I42 WeakPolarHBondContact O-CG1 3.35Å; I38-I42 PolarHBondContact O-N 3.36Å; I38-V58 HydrophobicContact CB-CG1 4.36Å; I38-V58 HydrophobicContact CB-CG2 4.38Å; I38-V58 HydrophobicContact CD1-CG1 4.49Å; I38-V58 HydrophobicContact CG2-CG1 4.11Å; I38-V58 HydrophobicContact CG2-CG2 3.95Å
39A98.8Very high97.9Very high14 Ų1471.5 Ų71.512%0.11634%0.342CS..Hα-helixtrans-60.1-43.5179.200000111.9E35 F41 I42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.42Å; E35-A39 PolarHBondContact O-N 2.93Å; A39-F41 PolarHBondContact O-N 3.04Å; A39-I42 PolarHBondContact O-N 3.04Å; A39-K43 WeakPolarHBondContact O-CB 3.43Å; A39-K43 PolarHBondContact O-N 3.02Å; A39-C56 HydrophobicContact CB-CB 4.32Å; A39-C56 WeakPolarHBondContact O-CB 3.19Å; A39-V58 HydrophobicContact CB-CB 4.26Å; A39-V58 HydrophobicContact CB-CG2 3.71Å
40A98.8Very high98Very high37 Ų3771.5 Ų71.531%0.30634%0.341SS..Hα-helixtrans-64.2-38.6179.100000112.6K36 D37 I38 K44K36-A40 WeakPolarHBondContact O-CB 3.36Å; K36-A40 PolarHBondContact O-N 2.89Å; D37-A40 PolarHBondContact O-N 3.48Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.25Å; A40-K44 WeakPolarHBondContact O-CB 3.32Å; A40-K44 VanDerWaalsContact O-CG 3.26Å; A40-K44 WeakPolarHBondContact O-CG 3.48Å; A40-K44 PolarHBondContact O-N 3.38Å; A40-K44 VanDerWaalsContact O-N 3.13Å
41F98.8Very high98Very high32 Ų3270.6 Ų70.614%0.1434%0.34CS..Hα-helixtrans-64.3-51.9175.3178.6-89.6000111.3I24 E27 A28 Y32 D37 I38 A39 K43 K44 E45I24-F41 HydrophobicContact CG2-CD1 4.35Å; I24-F41 HydrophobicContact CG2-CE1 4.1Å; E27-F41 HydrophobicContact CG-CE1 4.29Å; E27-F41 HydrophobicContact CG-CZ 4.11Å; A28-F41 HydrophobicContact CB-CB 4.42Å; A28-F41 HydrophobicContact CB-CD1 3.55Å; A28-F41 HydrophobicContact CB-CE1 4.16Å; A28-F41 HydrophobicContact CB-CG 4.29Å; Y32-F41 HydrophobicContact CD2-CB 4.07Å; Y32-F41 HydrophobicContact CD2-CG 4.35Å; Y32-F41 HydrophobicContact CE2-CB 3.58Å; Y32-F41 AromaticContact CE2-CD2 3.48Å; Y32-F41 HydrophobicContact CE2-CD2 3.48Å; Y32-F41 VanDerWaalsContact CE2-CD2 3.48Å; Y32-F41 HydrophobicContact CE2-CE2 4.27Å; Y32-F41 AromaticContact CE2-CG 3.62Å; Y32-F41 HydrophobicContact CE2-CG 3.62Å; D37-F41 PolarHBondContact O-N 3.31Å; I38-F41 PolarHBondContact O-N 3.05Å; A39-F41 PolarHBondContact O-N 3.04Å; F41-K43 VanDerWaalsContact C-N 3.32Å; F41-K43 PolarHBondContact O-N 3.46Å; F41-K44 PolarHBondContact O-N 3.47Å; F41-K44 VanDerWaalsContact O-N 3.16Å; F41-E45 HydrophobicContact CD1-CG 4.39Å; F41-E45 HydrophobicContact CE1-CG 3.94Å; F41-E45 HydrophobicContact CE2-CG 4.32Å; F41-E45 HydrophobicContact CZ-CG 3.91Å; F41-E45 PolarHBondContact O-N 2.88Å
42I98.8Very high98.1Very high0 Ų070.5 Ų70.50%034%0.341CS..Hα-helixtrans-57.8-47.7-179.6-64.9163.5000110.3I24 C25 A28 I38 A39 K44 E45 C46 C56 V58 I83 A85I24-I42 HydrophobicContact CG2-CB 4.42Å; I24-I42 HydrophobicContact CG2-CG1 4.24Å; I24-I42 HydrophobicContact CG2-CG2 4.41Å; C25-I42 HydrophobicContact CB-CD1 4.3Å; A28-I42 HydrophobicContact CB-CD1 4.07Å; A28-I42 HydrophobicContact CB-CG1 3.72Å; I38-I42 HydrophobicContact CG2-CD1 3.81Å; I38-I42 WeakPolarHBondContact O-CG1 3.35Å; I38-I42 PolarHBondContact O-N 3.36Å; A39-I42 PolarHBondContact O-N 3.04Å; I42-K44 PolarHBondContact O-N 2.97Å; I42-E45 PolarHBondContact O-N 2.81Å; I42-C46 WeakPolarHBondContact O-CB 3.5Å; I42-C46 PolarHBondContact O-N 2.99Å; I42-C46 PolarHBondContact O-SG 3.4Å; I42-C56 HydrophobicContact CG2-CB 4.44Å; I42-V58 HydrophobicContact CD1-CG2 4.26Å; I42-I83 HydrophobicContact CD1-CD1 4.14Å; I42-I83 HydrophobicContact CD1-CG2 3.92Å; I42-A85 HydrophobicContact CG2-CB 4.4Å
43K98.7Very high98.1Very high69 Ų6969.1 Ų69.130%0.334%0.342SS..Hα-helixtrans-53.5-52176.4-174.3-158.3-178.5-61.70111.5A39 F41 E45 C46 D47 W54 C56A39-K43 WeakPolarHBondContact O-CB 3.43Å; A39-K43 PolarHBondContact O-N 3.02Å; F41-K43 VanDerWaalsContact C-N 3.32Å; F41-K43 PolarHBondContact O-N 3.46Å; K43-E45 PolarHBondContact O-N 2.87Å; K43-C46 PolarHBondContact O-N 3.32Å; K43-D47 IonicContact NZ-OD1 2.6Å; K43-D47 IonicContact NZ-OD2 3.49Å; K43-D47 PolarHBondContact NZ-OD2 3.07Å; K43-D47 WeakPolarHBondContact O-CB 3.06Å; K43-D47 VanDerWaalsContact O-CG 3.28Å; K43-D47 PolarHBondContact O-N 3.44Å; K43-W54 WeakPolarHBondContact CE-O 3.47Å; K43-W54 HydrophobicContact CG-CB 4.34Å; K43-W54 VanDerWaalsContact CG-O 3.23Å; K43-W54 WeakPolarHBondContact CG-O 3.38Å; K43-W54 PolarHBondContact NZ-O 3.13Å; K43-C56 HydrophobicContact CB-CB 4.2Å
44K98.7Very high98.3Very high147 Ų14761.5 Ų61.564%0.63930%0.3SS*.Hα-helixtrans-63.8-41.7-176.8-76174.4-179.5-179.60112.2A40 F41 I42 K48A40-K44 WeakPolarHBondContact O-CB 3.32Å; A40-K44 VanDerWaalsContact O-CG 3.26Å; A40-K44 WeakPolarHBondContact O-CG 3.48Å; A40-K44 PolarHBondContact O-N 3.38Å; A40-K44 VanDerWaalsContact O-N 3.13Å; F41-K44 PolarHBondContact O-N 3.47Å; F41-K44 VanDerWaalsContact O-N 3.16Å; I42-K44 PolarHBondContact O-N 2.97Å; K44-K48 VanDerWaalsContact O-CB 3.31Å; K44-K48 WeakPolarHBondContact O-CB 3.13Å; K44-K48 PolarHBondContact O-N 2.85Å
45E98.6Very high98.3Very high33 Ų3360 Ų6015%0.15429%0.291CS..Hα-helixtrans-67.9-41.3177.7-80.7-61.8115.300111.7I24 F41 I42 K43 K48 R49I24-E45 HydrophobicContact CD1-CB 4.25Å; I24-E45 HydrophobicContact CG1-CB 4.49Å; I24-E45 HydrophobicContact CG2-CB 3.77Å; I24-E45 HydrophobicContact CG2-CG 4.38Å; F41-E45 HydrophobicContact CD1-CG 4.39Å; F41-E45 HydrophobicContact CE1-CG 3.94Å; F41-E45 HydrophobicContact CE2-CG 4.32Å; F41-E45 HydrophobicContact CZ-CG 3.91Å; F41-E45 PolarHBondContact O-N 2.88Å; I42-E45 PolarHBondContact O-N 2.81Å; K43-E45 PolarHBondContact O-N 2.87Å; E45-K48 PolarHBondContact O-N 2.99Å; E45-R49 WeakPolarHBondContact O-CB 3.22Å; E45-R49 WeakPolarHBondContact O-CG 3.3Å; E45-R49 PolarHBondContact O-N 2.9Å; E45-R49 IonicContact OE2-CZ 3.97Å; E45-R49 IonicContact OE2-NE 2.91Å; E45-R49 PolarHBondContact OE2-NE 2.96Å; E45-R49 VanDerWaalsContact OE2-NE 3.09Å; E45-R49 IonicContact OE2-NH2 3.45Å; E45-R49 PolarHBondContact OE2-NH2 3.16Å
46C98.5Very high98.4Very high0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-65.7-42.7175-68.20000112.4I42 K43 K48 R49 Y50 W54I42-C46 WeakPolarHBondContact O-CB 3.5Å; I42-C46 PolarHBondContact O-N 2.99Å; I42-C46 PolarHBondContact O-SG 3.4Å; K43-C46 PolarHBondContact O-N 3.32Å; C46-K48 VanDerWaalsContact C-N 3.27Å; C46-K48 PolarHBondContact O-N 2.92Å; C46-R49 PolarHBondContact O-N 3.36Å; C46-Y50 HydrophobicContact CB-CD2 4.28Å; C46-Y50 PolarHBondContact O-N 3.37Å; C46-W54 HydrophobicContact CB-CB 4.08Å; C46-W54 HydrophobicContact CB-CD2 3.39Å; C46-W54 HydrophobicContact CB-CE3 3.78Å; C46-W54 HydrophobicContact CB-CG 3.51Å; C46-W54 HydrophobicContact CB-CZ2 4.29Å; C46-W54 HydrophobicContact CB-CZ3 4.37Å; C46-W54 PolarHBondContact O-NE1 3.48Å
47D98.4Very high98.4Very high25 Ų2553.2 Ų53.213%0.13427%0.265CS..Hα-helixtrans-56.5-43.5173.6-78.7-25.1000111.4K43 N51 P52 W54K43-D47 IonicContact NZ-OD1 2.6Å; K43-D47 IonicContact NZ-OD2 3.49Å; K43-D47 PolarHBondContact NZ-OD2 3.07Å; K43-D47 WeakPolarHBondContact O-CB 3.06Å; K43-D47 VanDerWaalsContact O-CG 3.28Å; K43-D47 PolarHBondContact O-N 3.44Å; D47-N51 CarbonylContact O-C 3.33Å; D47-N51 WeakPolarHBondContact O-CA 3.47Å; D47-N51 PolarHBondContact O-N 2.77Å; D47-N51 VanDerWaalsContact O-N 3.12Å; D47-P52 HydrophobicContact CB-CG 4.22Å; D47-P52 WeakPolarHBondContact OD1-CA 3.19Å; D47-W54 WeakPolarHBondContact OD1-CB 3.32Å; D47-W54 PolarHBondContact OD1-N 2.95Å
48K98.3Very high98.4Very high162 Ų16251.6 Ų51.670%0.70426%0.257SS*.Hα-helixtrans-68-39.3-179.2-177.1-177.2175.3-171.10112.5K44 E45 C46K44-K48 VanDerWaalsContact O-CB 3.31Å; K44-K48 WeakPolarHBondContact O-CB 3.13Å; K44-K48 PolarHBondContact O-N 2.85Å; E45-K48 PolarHBondContact O-N 2.99Å; C46-K48 VanDerWaalsContact C-N 3.27Å; C46-K48 PolarHBondContact O-N 2.92Å
49R97.5Very high98.4Very high118 Ų11851.5 Ų51.545%0.44526%0.258SS..Hα-helixtrans-88.8-34.2-174.2-66.5-180-165.9-150.56.1113.7E45 C46E45-R49 WeakPolarHBondContact O-CB 3.22Å; E45-R49 WeakPolarHBondContact O-CG 3.3Å; E45-R49 PolarHBondContact O-N 2.9Å; E45-R49 IonicContact OE2-CZ 3.97Å; E45-R49 IonicContact OE2-NE 2.91Å; E45-R49 PolarHBondContact OE2-NE 2.96Å; E45-R49 VanDerWaalsContact OE2-NE 3.09Å; E45-R49 IonicContact OE2-NH2 3.45Å; E45-R49 PolarHBondContact OE2-NH2 3.16Å; C46-R49 PolarHBondContact O-N 3.36Å
50Y97.2Very high98.3Very high26 Ų2658.8 Ų58.810%0.10228%0.283CS..Hα-helixtrans-124.216.2-170.7-47.1-61.3000113.6M17 E20 V21 C46 W54M17-Y50 HydrophobicContact CE-CD1 3.64Å; M17-Y50 HydrophobicContact CE-CE1 3.92Å; M17-Y50 HydrophobicContact CE-CG 4.15Å; M17-Y50 HydrophobicContact CG-CD1 4.3Å; M17-Y50 HydrophobicContact CG-CD2 4.49Å; M17-Y50 HydrophobicContact CG-CE1 3.8Å; M17-Y50 HydrophobicContact CG-CE2 4.01Å; M17-Y50 HydrophobicContact SD-CD1 4.1Å; M17-Y50 HydrophobicContact SD-CD2 4.32Å; M17-Y50 HydrophobicContact SD-CE1 4.22Å; M17-Y50 HydrophobicContact SD-CE2 4.42Å; M17-Y50 HydrophobicContact SD-CG 4.15Å; E20-Y50 WeakPolarHBondContact CB-OH 3.37Å; E20-Y50 PolarHBondContact OE2-OH 2.89Å; V21-Y50 HydrophobicContact CG2-CE2 4.08Å; C46-Y50 HydrophobicContact CB-CD2 4.28Å; C46-Y50 PolarHBondContact O-N 3.37Å; Y50-W54 HydrophobicContact CD2-CH2 4.36Å; Y50-W54 AromaticContact CD2-CZ2 3.69Å; Y50-W54 HydrophobicContact CD2-CZ2 3.69Å; Y50-W54 HydrophobicContact CG-CZ2 4.07Å
51N97Very high98.1Very high110 Ų11064.7 Ų64.759%0.58831%0.309SS*.  trans66.8147.3-176-49.6-72.7000113.8D47 W54D47-N51 CarbonylContact O-C 3.33Å; D47-N51 WeakPolarHBondContact O-CA 3.47Å; D47-N51 PolarHBondContact O-N 2.77Å; D47-N51 VanDerWaalsContact O-N 3.12Å; N51-W54 VanDerWaalsContact O-CD1 3.23Å; N51-W54 PolarHBondContact O-NE1 3.34Å
52P98.1Very high98.1Very high81 Ų8165.6 Ų65.653%0.52631%0.313SS..SBendtrans-62.6159.6173.3-19.631.9000113.4D47 K87D47-P52 HydrophobicContact CB-CG 4.22Å; D47-P52 WeakPolarHBondContact OD1-CA 3.19Å; P52-K87 VanDerWaalsContact C-CE 3.48Å; P52-K87 WeakPolarHBondContact O-CE 3Å; P52-K87 PolarHBondContact O-NZ 2.6Å
53T98.1Very high98Very high54 Ų5469.3 Ų69.333%0.33135%0.351SS..  cis-114.2111.45.6-55.60000112.3K87 S88T53-K87 WeakPolarHBondContact O-CA 3.38Å; T53-K87 WeakPolarHBondContact O-CG 3.4Å; T53-S88 PolarHBondContact O-N 3.49Å
54W98.7Very high97.9Very high1 Ų168.9 Ų68.90%0.00436%0.357CS..EExtended strand (participates in β ladder)trans-83.6149.4172.1-71.976.4000111.8M13 M17 K43 C46 D47 Y50 N51 H72 A85 F86 K87M13-W54 HydrophobicContact CE-CH2 3.97Å; M17-W54 HydrophobicContact SD-CH2 4.42Å; M17-W54 HydrophobicContact SD-CZ2 4.45Å; K43-W54 WeakPolarHBondContact CE-O 3.47Å; K43-W54 HydrophobicContact CG-CB 4.34Å; K43-W54 VanDerWaalsContact CG-O 3.23Å; K43-W54 WeakPolarHBondContact CG-O 3.38Å; K43-W54 PolarHBondContact NZ-O 3.13Å; C46-W54 HydrophobicContact CB-CB 4.08Å; C46-W54 HydrophobicContact CB-CD2 3.39Å; C46-W54 HydrophobicContact CB-CE3 3.78Å; C46-W54 HydrophobicContact CB-CG 3.51Å; C46-W54 HydrophobicContact CB-CZ2 4.29Å; C46-W54 HydrophobicContact CB-CZ3 4.37Å; C46-W54 PolarHBondContact O-NE1 3.48Å; D47-W54 WeakPolarHBondContact OD1-CB 3.32Å; D47-W54 PolarHBondContact OD1-N 2.95Å; Y50-W54 HydrophobicContact CD2-CH2 4.36Å; Y50-W54 AromaticContact CD2-CZ2 3.69Å; Y50-W54 HydrophobicContact CD2-CZ2 3.69Å; Y50-W54 HydrophobicContact CG-CZ2 4.07Å; N51-W54 VanDerWaalsContact O-CD1 3.23Å; N51-W54 PolarHBondContact O-NE1 3.34Å; W54-H72 HydrophobicContact CH2-CB 4.34Å; W54-H72 HydrophobicContact CZ2-CB 4.36Å; W54-H72 AromaticContact CZ2-CD2 3.9Å; W54-A85 HydrophobicContact CE3-CB 4.3Å; W54-A85 HydrophobicContact CZ3-CB 4.24Å; W54-F86 CarbonylContact C-O 3.53Å; W54-F86 WeakPolarHBondContact CA-O 3.36Å; W54-K87 HydrophobicContact CD2-CB 4.29Å
55H98.7Very high97.8Very high68 Ų6872.9 Ų72.932%0.31537%0.369SS..EExtended strand (participates in β ladder)trans-123.3144171.5-58.3-87.5000107.6A85 F86 S88H55-A85 WeakPolarHBondContact O-CA 3.31Å; H55-F86 HydrophobicContact CB-CD1 4.16Å; H55-F86 HydrophobicContact CB-CD2 4.32Å; H55-F86 HydrophobicContact CB-CE1 3.68Å; H55-F86 HydrophobicContact CB-CE2 3.86Å; H55-F86 HydrophobicContact CB-CG 4.46Å; H55-F86 HydrophobicContact CB-CZ 3.51Å; H55-F86 AromaticContact CD2-CE2 3.84Å; H55-F86 AromaticContact CG-CE2 3.98Å; H55-F86 AromaticContact CG-CZ 3.98Å; H55-F86 PolarHBondContact N-O 2.76Å; H55-F86 PolarHBondContact O-N 3.35Å; H55-S88 PolarHBondContact NE2-O 3.46Å
56C98.7Very high97.8Very high22 Ų2273.5 Ų73.515%0.14938%0.376CS..EExtended strand (participates in β ladder)trans-140.6133.8179.3-172.40000110.4A39 I42 K43 L84A39-C56 HydrophobicContact CB-CB 4.32Å; A39-C56 WeakPolarHBondContact O-CB 3.19Å; I42-C56 HydrophobicContact CG2-CB 4.44Å; K43-C56 HydrophobicContact CB-CB 4.2Å; C56-L84 CarbonylContact C-O 3.54Å; C56-L84 VanDerWaalsContact CA-O 3.28Å; C56-L84 WeakPolarHBondContact CA-O 3.42Å
57I98.6Very high97.7Very high63 Ų6378.9 Ų78.932%0.32341%0.409SS..EExtended strand (participates in β ladder)trans-122.8131.7174.2-61.6165.1000107.2F62 I83 L84I57-F62 HydrophobicContact CB-CE2 4.46Å; I57-F62 HydrophobicContact CG2-CD1 4.3Å; I57-F62 HydrophobicContact CG2-CD2 3.95Å; I57-F62 HydrophobicContact CG2-CE1 4.17Å; I57-F62 HydrophobicContact CG2-CE2 3.82Å; I57-F62 HydrophobicContact CG2-CG 4.19Å; I57-F62 HydrophobicContact CG2-CZ 3.93Å; I57-I83 WeakPolarHBondContact O-CA 3.28Å; I57-L84 HydrophobicContact CB-CB 4.31Å; I57-L84 HydrophobicContact CD1-CD2 4.1Å; I57-L84 PolarHBondContact N-O 2.92Å; I57-L84 PolarHBondContact O-N 2.75Å
58V98.7Very high97.7Very high14 Ų1480.7 Ų80.79%0.08542%0.416CS..EExtended strand (participates in β ladder)trans-128.3131.6177.7179.40000107.3E35 I38 A39 I42 V81 A82 I83E35-V58 HydrophobicContact CB-CB 4.34Å; E35-V58 HydrophobicContact CB-CG1 4.19Å; E35-V58 HydrophobicContact CG-CG1 4.25Å; I38-V58 HydrophobicContact CB-CG1 4.36Å; I38-V58 HydrophobicContact CB-CG2 4.38Å; I38-V58 HydrophobicContact CD1-CG1 4.49Å; I38-V58 HydrophobicContact CG2-CG1 4.11Å; I38-V58 HydrophobicContact CG2-CG2 3.95Å; A39-V58 HydrophobicContact CB-CB 4.26Å; A39-V58 HydrophobicContact CB-CG2 3.71Å; I42-V58 HydrophobicContact CD1-CG2 4.26Å; V58-V81 HydrophobicContact CG1-CG1 3.47Å; V58-V81 VanDerWaalsContact CG1-CG1 3.47Å; V58-A82 WeakPolarHBondContact CA-O 3.46Å; V58-I83 HydrophobicContact CG1-CG1 4.37Å; V58-I83 HydrophobicContact CG2-CG1 4.22Å; V58-I83 HydrophobicContact CG2-CG2 4.25Å
59G98Very high97.7Very high6 Ų676 Ų766%0.06240%0.397CS..EExtended strand (participates in β ladder)trans-174.7158.9179.700000113.2E35 A82E35-G59 WeakPolarHBondContact OE1-CA 3.39Å; G59-A82 PolarHBondContact N-O 3.2Å; G59-A82 WeakPolarHBondContact O-CB 3.33Å; G59-A82 PolarHBondContact O-N 3.01Å
60R96.6Very high97.7Very high167 Ų16775.4 Ų75.463%0.6341%0.406SS*.SBendtrans-85.7-21.3172.5-60.4-175.6-173.3-160.72.8113.5E35 V81E35-R60 PolarHBondContact OE1-N 2.51Å; R60-V81 HydrophobicContact CG-CG2 4.37Å
61N95.9Very high97.7Very high160 Ų16080.9 Ų80.986%0.85643%0.431SS*.SBendtrans-150.7106179.8-174.511.6000110.2
62F97.7Very high97.8Very high52 Ų5277.5 Ų77.523%0.22841%0.411CS..  trans-155.3156.417266.2-87.8000110.6I57 Y75 A82 L84I57-F62 HydrophobicContact CB-CE2 4.46Å; I57-F62 HydrophobicContact CG2-CD1 4.3Å; I57-F62 HydrophobicContact CG2-CD2 3.95Å; I57-F62 HydrophobicContact CG2-CE1 4.17Å; I57-F62 HydrophobicContact CG2-CE2 3.82Å; I57-F62 HydrophobicContact CG2-CG 4.19Å; I57-F62 HydrophobicContact CG2-CZ 3.93Å; F62-Y75 HydrophobicContact CE2-CE2 4.42Å; F62-Y75 HydrophobicContact CZ-CE2 4.01Å; F62-A82 HydrophobicContact CD1-CB 4.43Å; F62-A82 HydrophobicContact CE1-CB 3.48Å; F62-A82 VanDerWaalsContact CE1-CB 3.48Å; F62-A82 HydrophobicContact CZ-CB 3.88Å; F62-L84 HydrophobicContact CE2-CB 4.17Å; F62-L84 HydrophobicContact CE2-CD2 4.39Å; F62-L84 HydrophobicContact CZ-CB 4.13Å
63G97.2Very high97.8Very high78 Ų7874.8 Ų74.880%0.80439%0.391SS*.  trans-117.5150.6162.200000109.1
64S96.5Very high97.8Very high59 Ų5972.2 Ų72.241%0.41338%0.375SS..  trans-143.1144.3-178.961.80000111.1L84S64-L84 WeakPolarHBondContact OG-CD2 3.42Å
65Y97.5Very high97.8Very high231 Ų23174.6 Ų74.691%0.90639%0.385SS*.  trans-128.9106.4169-164.8-84.9000107.5
66V97.4Very high97.8Very high47 Ų4771.4 Ų71.429%0.28537%0.37SS..  trans-133.1149.6-170.8-60.60000110.8F73 L84 F86V66-F73 HydrophobicContact CG2-CE2 4.01Å; V66-L84 HydrophobicContact CG2-CD2 4.37Å; V66-F86 HydrophobicContact CB-CE1 4.19Å; V66-F86 HydrophobicContact CB-CE2 4.01Å; V66-F86 HydrophobicContact CB-CZ 3.8Å; V66-F86 HydrophobicContact CG1-CE1 3.97Å; V66-F86 HydrophobicContact CG1-CE2 4.41Å; V66-F86 HydrophobicContact CG1-CZ 3.7Å; V66-F86 HydrophobicContact CG2-CD1 4.16Å; V66-F86 HydrophobicContact CG2-CD2 4.4Å; V66-F86 HydrophobicContact CG2-CE1 4.03Å; V66-F86 HydrophobicContact CG2-CE2 4.28Å; V66-F86 HydrophobicContact CG2-CG 4.34Å; V66-F86 HydrophobicContact CG2-CZ 4.1Å
67T98Very high97.8Very high113 Ų11373.7 Ų73.769%0.69338%0.376SS*.  trans-99.5143.3167.3-54.40000108.4
68H98.1Very high97.6Very high63 Ų6371 Ų7129%0.29236%0.362SS..  trans-139.1157.5-179.558.3-88.5000111.2D12 F73 F86 K87D12-H68 IonicContact OD2-NE2 3.9Å; H68-F73 HydrophobicContact CB-CB 4.33Å; H68-F73 HydrophobicContact CB-CD2 4.16Å; H68-F73 WeakPolarHBondContact CD2-CB 3.49Å; H68-F73 AromaticContact CD2-CG 3.98Å; H68-F73 AromaticContact CE1-CD2 3.6Å; H68-F73 AromaticContact CE1-CG 3.7Å; H68-F73 AromaticContact CG-CD2 3.64Å; H68-F73 AromaticContact CG-CG 3.98Å; H68-F73 AromaticContact ND1-CD2 3.3Å; H68-F73 VanDerWaalsContact ND1-CD2 3.3Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.33Å; H68-F73 AromaticContact ND1-CE2 3.94Å; H68-F73 AromaticContact ND1-CG 3.82Å; H68-F73 WeakPolarHBondContact NE2-CB 3.23Å; H68-F73 AromaticContact NE2-CG 3.8Å; H68-F86 HydrophobicContact CB-CB 3.92Å; H68-F86 HydrophobicContact CB-CD2 3.95Å; H68-F86 HydrophobicContact CB-CG 4.33Å; H68-K87 CarbonylContact C-O 3.54Å; H68-K87 VanDerWaalsContact CA-O 3.25Å; H68-K87 WeakPolarHBondContact CA-O 3.25Å; H68-K87 WeakPolarHBondContact CB-O 3.46Å
69E97.7Very high97.4Very high63 Ų6372.6 Ų72.629%0.29438%0.382SS..  trans-67.6140.7167.9-69.3169.2-133.900110.6H72 K87 G89E69-H72 PolarHBondContact O-N 2.91Å; E69-K87 HydrophobicContact CB-CB 4.48Å; E69-K87 PolarHBondContact N-O 2.81Å; E69-K87 VanDerWaalsContact OE2-CD 3.28Å; E69-K87 WeakPolarHBondContact OE2-CD 3.22Å; E69-K87 WeakPolarHBondContact OE2-CE 3.14Å; E69-K87 IonicContact OE2-NZ 3.09Å; E69-K87 PolarHBondContact OE2-NZ 2.83Å; E69-G89 PolarHBondContact OE1-N 3.12Å
70T97.1Very high97.2Very high106 Ų10679.3 Ų79.365%0.6541%0.412SS*.THydrogen-bonded Turntrans-52.4140.8177.7-43.40000111.4H72T70-H72 PolarHBondContact O-N 3.34Å; T70-H72 PolarHBondContact O-ND1 3.3Å
71K97.7Very high97.2Very high140 Ų14072.1 Ų72.161%0.60939%0.386SS*.THydrogen-bonded Turntrans66.415.6177.7-55.8-177.8178.2-179.20115.5D12 M13D12-K71 CarbonylContact O-C 3.55Å; D12-K71 WeakPolarHBondContact O-CA 3.14Å; D12-K71 PolarHBondContact OD2-N 2.93Å; M13-K71 WeakPolarHBondContact CB-O 3.32Å
72H98.3Very high97.3Very high40 Ų4064.5 Ų64.519%0.18535%0.346CS..  trans-134.850.4180-58.784.4000112.2D12 W54 E69 T70 F86 K87D12-H72 PolarHBondContact O-N 3.11Å; W54-H72 HydrophobicContact CH2-CB 4.34Å; W54-H72 HydrophobicContact CZ2-CB 4.36Å; W54-H72 AromaticContact CZ2-CD2 3.9Å; E69-H72 PolarHBondContact O-N 2.91Å; T70-H72 PolarHBondContact O-N 3.34Å; T70-H72 PolarHBondContact O-ND1 3.3Å; H72-F86 CarbonylContact O-C 3.58Å; H72-F86 WeakPolarHBondContact O-CA 3.06Å; H72-K87 HydrophobicContact CB-CB 3.42Å; H72-K87 VanDerWaalsContact CB-CB 3.42Å; H72-K87 HydrophobicContact CB-CD 4.23Å; H72-K87 HydrophobicContact CB-CG 4.49Å; H72-K87 PolarHBondContact O-N 3.09Å
73F98.6Very high97.3Very high23 Ų2362.1 Ų62.110%0.10134%0.335CS..EExtended strand (participates in β ladder)trans-138.7136176.5175.8-80.4000112.1N10 A11 D12 V66 H68 L84 F86N10-F73 HydrophobicContact CB-CE1 4.24Å; A11-F73 CarbonylContact C-O 3.6Å; A11-F73 VanDerWaalsContact CA-O 3.3Å; A11-F73 WeakPolarHBondContact CA-O 3.41Å; D12-F73 CarbonylContact C-O 3.5Å; D12-F73 HydrophobicContact CB-CB 4.37Å; D12-F73 PolarHBondContact N-O 2.86Å; D12-F73 PolarHBondContact O-N 3.15Å; V66-F73 HydrophobicContact CG2-CE2 4.01Å; H68-F73 HydrophobicContact CB-CB 4.33Å; H68-F73 HydrophobicContact CB-CD2 4.16Å; H68-F73 WeakPolarHBondContact CD2-CB 3.49Å; H68-F73 AromaticContact CD2-CG 3.98Å; H68-F73 AromaticContact CE1-CD2 3.6Å; H68-F73 AromaticContact CE1-CG 3.7Å; H68-F73 AromaticContact CG-CD2 3.64Å; H68-F73 AromaticContact CG-CG 3.98Å; H68-F73 AromaticContact ND1-CD2 3.3Å; H68-F73 VanDerWaalsContact ND1-CD2 3.3Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.33Å; H68-F73 AromaticContact ND1-CE2 3.94Å; H68-F73 AromaticContact ND1-CG 3.82Å; H68-F73 WeakPolarHBondContact NE2-CB 3.23Å; H68-F73 AromaticContact NE2-CG 3.8Å; F73-L84 HydrophobicContact CD2-CD1 4.18Å; F73-L84 HydrophobicContact CE1-CD1 4.41Å; F73-L84 HydrophobicContact CE2-CD1 3.42Å; F73-L84 VanDerWaalsContact CE2-CD1 3.42Å; F73-L84 HydrophobicContact CZ-CD1 3.55Å; F73-F86 HydrophobicContact CB-CB 4.32Å; F73-F86 HydrophobicContact CD2-CB 3.64Å; F73-F86 HydrophobicContact CD2-CG 4.41Å; F73-F86 HydrophobicContact CE2-CB 4.44Å; F73-F86 HydrophobicContact CG-CB 4.36Å
74I98.7Very high97.4Very high0 Ų058.4 Ų58.40%030%0.297CS..EExtended strand (participates in β ladder)trans-148137170.3-169.6169.5000112.1I8 A11 M13 Q18 V21 L76 L84 A85I8-I74 HydrophobicContact CD1-CD1 4.22Å; I8-I74 HydrophobicContact CG1-CD1 4.41Å; I8-I74 HydrophobicContact CG2-CD1 4.46Å; I8-I74 HydrophobicContact CG2-CG1 4.29Å; A11-I74 HydrophobicContact CB-CB 4.44Å; A11-I74 HydrophobicContact CB-CG1 4.12Å; M13-I74 HydrophobicContact SD-CB 3.56Å; M13-I74 VanDerWaalsContact SD-CB 3.56Å; M13-I74 HydrophobicContact SD-CD1 4.07Å; M13-I74 HydrophobicContact SD-CG1 4.3Å; M13-I74 HydrophobicContact SD-CG2 3.9Å; Q18-I74 HydrophobicContact CB-CD1 4.13Å; Q18-I74 HydrophobicContact CG-CD1 4.1Å; V21-I74 HydrophobicContact CG1-CG2 3.8Å; I74-L76 HydrophobicContact CD1-CD2 3.64Å; I74-L76 HydrophobicContact CG1-CB 4.49Å; I74-L76 HydrophobicContact CG1-CD2 3.93Å; I74-L84 WeakPolarHBondContact O-CA 3.36Å; I74-A85 HydrophobicContact CG2-CB 4.02Å; I74-A85 PolarHBondContact N-O 2.86Å; I74-A85 PolarHBondContact O-N 3.22Å
75Y98.7Very high97.5Very high52 Ų5255.7 Ų55.720%0.20428%0.278CS..EExtended strand (participates in β ladder)trans-124.3118.2170.7178.2-129.8000109.4K9 N10 F62 Y77 A82 I83 L84K9-Y75 HydrophobicContact CB-CD1 3.48Å; K9-Y75 VanDerWaalsContact CB-CD1 3.48Å; K9-Y75 HydrophobicContact CB-CE1 3.81Å; K9-Y75 HydrophobicContact CB-CG 4.34Å; K9-Y75 HydrophobicContact CG-CD1 4.2Å; K9-Y75 HydrophobicContact CG-CE1 4.08Å; K9-Y75 PolarHBondContact N-O 2.86Å; N10-Y75 PolarHBondContact N-O 3.44Å; N10-Y75 VanDerWaalsContact N-O 3.15Å; N10-Y75 PolarHBondContact O-N 3.4Å; F62-Y75 HydrophobicContact CE2-CE2 4.42Å; F62-Y75 HydrophobicContact CZ-CE2 4.01Å; Y75-Y77 HydrophobicContact CE1-CE2 4.15Å; Y75-Y77 HydrophobicContact CE2-CE2 4.39Å; Y75-Y77 AromaticContact CZ-CE2 3.69Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.27Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.44Å; Y75-Y77 PolarHBondContact OH-OH 3.37Å; Y75-A82 HydrophobicContact CE2-CB 3.86Å; Y75-I83 WeakPolarHBondContact CA-O 3.26Å; Y75-L84 HydrophobicContact CD2-CB 4.07Å
76L98.2Very high97.6Very high0 Ų045.4 Ų45.40%024%0.238CC..EExtended strand (participates in β ladder)trans-141.9159.8-174.37195.5000112.4V7 I8 V22 I74 L78 A82 I83V7-L76 CarbonylContact O-C 3.6Å; V7-L76 VanDerWaalsContact O-CA 3.32Å; V7-L76 WeakPolarHBondContact O-CA 3.42Å; I8-L76 HydrophobicContact CG1-CB 4.27Å; V22-L76 HydrophobicContact CG2-CD2 3.95Å; I74-L76 HydrophobicContact CD1-CD2 3.64Å; I74-L76 HydrophobicContact CG1-CB 4.49Å; I74-L76 HydrophobicContact CG1-CD2 3.93Å; L76-L78 HydrophobicContact CD1-CD1 4.01Å; L76-L78 HydrophobicContact CD1-CG 3.76Å; L76-A82 WeakPolarHBondContact O-CA 3.46Å; L76-I83 HydrophobicContact CD1-CB 4.37Å; L76-I83 HydrophobicContact CD1-CD1 4.43Å; L76-I83 HydrophobicContact CG-CB 4.34Å; L76-I83 PolarHBondContact N-O 3.3Å; L76-I83 PolarHBondContact O-N 3.36Å
77Y97.7Very high97.6Very high71 Ų7144.3 Ų44.328%0.27823%0.229SC..EExtended strand (participates in β ladder)trans-111.8137.9169-79.4-99.7000111A6 V7 K9 Y75 V81 A82A6-Y77 CarbonylContact C-O 2.87Å; A6-Y77 WeakPolarHBondContact CA-O 3.42Å; V7-Y77 PolarHBondContact N-O 3.37Å; V7-Y77 PolarHBondContact O-N 3.02Å; K9-Y77 HydrophobicContact CD-CD2 4.43Å; K9-Y77 HydrophobicContact CG-CD2 3.69Å; K9-Y77 HydrophobicContact CG-CE2 3.93Å; Y75-Y77 HydrophobicContact CE1-CE2 4.15Å; Y75-Y77 HydrophobicContact CE2-CE2 4.39Å; Y75-Y77 AromaticContact CZ-CE2 3.69Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.27Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.44Å; Y75-Y77 PolarHBondContact OH-OH 3.37Å; Y77-V81 WeakPolarHBondContact CA-O 3.32Å; Y77-A82 HydrophobicContact CD1-CB 3.99Å; Y77-A82 HydrophobicContact CD2-CB 4.45Å; Y77-A82 HydrophobicContact CE1-CB 3.56Å; Y77-A82 HydrophobicContact CE2-CB 4.08Å; Y77-A82 HydrophobicContact CG-CB 4.42Å
78L96.2Very high97.6Very high5 Ų541.1 Ų41.13%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-119.296.5165.5-80168.5000108.6K4 A6 C25 A26 L29 L76 Q80 V81 I83K4-L78 HydrophobicContact CB-CD2 4.29Å; K4-L78 WeakPolarHBondContact O-CD2 3.27Å; A6-L78 HydrophobicContact CB-CD2 3.73Å; A6-L78 HydrophobicContact CB-CG 4.47Å; C25-L78 HydrophobicContact CB-CD1 3.56Å; A26-L78 HydrophobicContact CB-CD1 4.48Å; L29-L78 HydrophobicContact CD1-CB 3.48Å; L29-L78 VanDerWaalsContact CD1-CB 3.48Å; L29-L78 HydrophobicContact CD1-CD1 3.64Å; L29-L78 HydrophobicContact CD1-CG 4.19Å; L76-L78 HydrophobicContact CD1-CD1 4.01Å; L76-L78 HydrophobicContact CD1-CG 3.76Å; L78-Q80 PolarHBondContact O-N 3.5Å; L78-V81 PolarHBondContact N-O 2.98Å; L78-V81 PolarHBondContact O-N 3.32Å; L78-I83 HydrophobicContact CD1-CD1 4.12Å
79G93.3Very high97.3Very high49 Ų4943.7 Ų43.751%0.50526%0.255SS..THydrogen-bonded Turntrans66.7-120.4-168.500000111.2
80Q93.7Very high97.3Very high147 Ų14742.7 Ų42.769%0.68725%0.253SS*.THydrogen-bonded Turntrans-95.22.1180-64.5-174.7-10.700113.8L78L78-Q80 PolarHBondContact O-N 3.5Å
81V96.5Very high97.3Very high15 Ų1539.4 Ų39.49%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-102.1122.7-178.4-179.20000108.7L29 V58 R60 Y77 L78 I83L29-V81 HydrophobicContact CD2-CB 4.46Å; L29-V81 HydrophobicContact CD2-CG1 4.28Å; L29-V81 HydrophobicContact CD2-CG2 4.39Å; V58-V81 HydrophobicContact CG1-CG1 3.47Å; V58-V81 VanDerWaalsContact CG1-CG1 3.47Å; R60-V81 HydrophobicContact CG-CG2 4.37Å; Y77-V81 WeakPolarHBondContact CA-O 3.32Å; L78-V81 PolarHBondContact N-O 2.98Å; L78-V81 PolarHBondContact O-N 3.32Å; V81-I83 HydrophobicContact CG1-CG1 4.25Å
82A98.1Very high97.2Very high1 Ų133.8 Ų33.81%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-85140.6168.300000109.8V58 G59 F62 Y75 L76 Y77V58-A82 WeakPolarHBondContact CA-O 3.46Å; G59-A82 PolarHBondContact N-O 3.2Å; G59-A82 WeakPolarHBondContact O-CB 3.33Å; G59-A82 PolarHBondContact O-N 3.01Å; F62-A82 HydrophobicContact CD1-CB 4.43Å; F62-A82 HydrophobicContact CE1-CB 3.48Å; F62-A82 VanDerWaalsContact CE1-CB 3.48Å; F62-A82 HydrophobicContact CZ-CB 3.88Å; Y75-A82 HydrophobicContact CE2-CB 3.86Å; L76-A82 WeakPolarHBondContact O-CA 3.46Å; Y77-A82 HydrophobicContact CD1-CB 3.99Å; Y77-A82 HydrophobicContact CD2-CB 4.45Å; Y77-A82 HydrophobicContact CE1-CB 3.56Å; Y77-A82 HydrophobicContact CE2-CB 4.08Å; Y77-A82 HydrophobicContact CG-CB 4.42Å
83I98.7Very high97.2Very high1 Ų133.4 Ų33.41%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-131.1124.7176.9-55.8176.2000107.5C25 L29 I42 I57 V58 Y75 L76 L78 V81C25-I83 HydrophobicContact CB-CD1 3.67Å; L29-I83 HydrophobicContact CD1-CD1 4.1Å; I42-I83 HydrophobicContact CD1-CD1 4.14Å; I42-I83 HydrophobicContact CD1-CG2 3.92Å; I57-I83 WeakPolarHBondContact O-CA 3.28Å; V58-I83 HydrophobicContact CG1-CG1 4.37Å; V58-I83 HydrophobicContact CG2-CG1 4.22Å; V58-I83 HydrophobicContact CG2-CG2 4.25Å; Y75-I83 WeakPolarHBondContact CA-O 3.26Å; L76-I83 HydrophobicContact CD1-CB 4.37Å; L76-I83 HydrophobicContact CD1-CD1 4.43Å; L76-I83 HydrophobicContact CG-CB 4.34Å; L76-I83 PolarHBondContact N-O 3.3Å; L76-I83 PolarHBondContact O-N 3.36Å; L78-I83 HydrophobicContact CD1-CD1 4.12Å; V81-I83 HydrophobicContact CG1-CG1 4.25Å
84L98.8Very high97.1Very high1 Ų134.1 Ų34.11%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-116116.9172.7168.961.4000107.8C56 I57 F62 S64 V66 F73 I74 Y75 F86C56-L84 CarbonylContact C-O 3.54Å; C56-L84 VanDerWaalsContact CA-O 3.28Å; C56-L84 WeakPolarHBondContact CA-O 3.42Å; I57-L84 HydrophobicContact CB-CB 4.31Å; I57-L84 HydrophobicContact CD1-CD2 4.1Å; I57-L84 PolarHBondContact N-O 2.92Å; I57-L84 PolarHBondContact O-N 2.75Å; F62-L84 HydrophobicContact CE2-CB 4.17Å; F62-L84 HydrophobicContact CE2-CD2 4.39Å; F62-L84 HydrophobicContact CZ-CB 4.13Å; S64-L84 WeakPolarHBondContact OG-CD2 3.42Å; V66-L84 HydrophobicContact CG2-CD2 4.37Å; F73-L84 HydrophobicContact CD2-CD1 4.18Å; F73-L84 HydrophobicContact CE1-CD1 4.41Å; F73-L84 HydrophobicContact CE2-CD1 3.42Å; F73-L84 VanDerWaalsContact CE2-CD1 3.42Å; F73-L84 HydrophobicContact CZ-CD1 3.55Å; I74-L84 WeakPolarHBondContact O-CA 3.36Å; Y75-L84 HydrophobicContact CD2-CB 4.07Å; L84-F86 HydrophobicContact CD1-CD1 4.19Å; L84-F86 HydrophobicContact CD2-CD1 4.37Å; L84-F86 HydrophobicContact CD2-CE1 4.34Å; L84-F86 HydrophobicContact CG-CD1 3.96Å; L84-F86 HydrophobicContact CG-CE1 4.32Å
85A98.7Very high97Very high1 Ų136.3 Ų36.31%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-123.2129.1175.500000109.4I42 W54 H55 I74I42-A85 HydrophobicContact CG2-CB 4.4Å; W54-A85 HydrophobicContact CE3-CB 4.3Å; W54-A85 HydrophobicContact CZ3-CB 4.24Å; H55-A85 WeakPolarHBondContact O-CA 3.31Å; I74-A85 HydrophobicContact CG2-CB 4.02Å; I74-A85 PolarHBondContact N-O 2.86Å; I74-A85 PolarHBondContact O-N 3.22Å
86F98.7Very high96.9Very high16 Ų1635.2 Ų35.27%0.0724%0.236CC..EExtended strand (participates in β ladder)trans-152.3153.8-179.566.6-82.6000112W54 H55 V66 H68 H72 F73 L84W54-F86 CarbonylContact C-O 3.53Å; W54-F86 WeakPolarHBondContact CA-O 3.36Å; H55-F86 HydrophobicContact CB-CD1 4.16Å; H55-F86 HydrophobicContact CB-CD2 4.32Å; H55-F86 HydrophobicContact CB-CE1 3.68Å; H55-F86 HydrophobicContact CB-CE2 3.86Å; H55-F86 HydrophobicContact CB-CG 4.46Å; H55-F86 HydrophobicContact CB-CZ 3.51Å; H55-F86 AromaticContact CD2-CE2 3.84Å; H55-F86 AromaticContact CG-CE2 3.98Å; H55-F86 AromaticContact CG-CZ 3.98Å; H55-F86 PolarHBondContact N-O 2.76Å; H55-F86 PolarHBondContact O-N 3.35Å; V66-F86 HydrophobicContact CB-CE1 4.19Å; V66-F86 HydrophobicContact CB-CE2 4.01Å; V66-F86 HydrophobicContact CB-CZ 3.8Å; V66-F86 HydrophobicContact CG1-CE1 3.97Å; V66-F86 HydrophobicContact CG1-CE2 4.41Å; V66-F86 HydrophobicContact CG1-CZ 3.7Å; V66-F86 HydrophobicContact CG2-CD1 4.16Å; V66-F86 HydrophobicContact CG2-CD2 4.4Å; V66-F86 HydrophobicContact CG2-CE1 4.03Å; V66-F86 HydrophobicContact CG2-CE2 4.28Å; V66-F86 HydrophobicContact CG2-CG 4.34Å; V66-F86 HydrophobicContact CG2-CZ 4.1Å; H68-F86 HydrophobicContact CB-CB 3.92Å; H68-F86 HydrophobicContact CB-CD2 3.95Å; H68-F86 HydrophobicContact CB-CG 4.33Å; H72-F86 CarbonylContact O-C 3.58Å; H72-F86 WeakPolarHBondContact O-CA 3.06Å; F73-F86 HydrophobicContact CB-CB 4.32Å; F73-F86 HydrophobicContact CD2-CB 3.64Å; F73-F86 HydrophobicContact CD2-CG 4.41Å; F73-F86 HydrophobicContact CE2-CB 4.44Å; F73-F86 HydrophobicContact CG-CB 4.36Å; L84-F86 HydrophobicContact CD1-CD1 4.19Å; L84-F86 HydrophobicContact CD2-CD1 4.37Å; L84-F86 HydrophobicContact CD2-CE1 4.34Å; L84-F86 HydrophobicContact CG-CD1 3.96Å; L84-F86 HydrophobicContact CG-CE1 4.32Å
87K98.6Very high96.8Very high23 Ų2337.9 Ų37.910%0.126%0.255CS..EExtended strand (participates in β ladder)trans-98.2135.7175.8-162-177171.1-176.70111.1P52 T53 W54 H68 E69 H72P52-K87 VanDerWaalsContact C-CE 3.48Å; P52-K87 WeakPolarHBondContact O-CE 3Å; P52-K87 PolarHBondContact O-NZ 2.6Å; T53-K87 WeakPolarHBondContact O-CA 3.38Å; T53-K87 WeakPolarHBondContact O-CG 3.4Å; W54-K87 HydrophobicContact CD2-CB 4.29Å; H68-K87 CarbonylContact C-O 3.54Å; H68-K87 VanDerWaalsContact CA-O 3.25Å; H68-K87 WeakPolarHBondContact CA-O 3.25Å; H68-K87 WeakPolarHBondContact CB-O 3.46Å; E69-K87 HydrophobicContact CB-CB 4.48Å; E69-K87 PolarHBondContact N-O 2.81Å; E69-K87 VanDerWaalsContact OE2-CD 3.28Å; E69-K87 WeakPolarHBondContact OE2-CD 3.22Å; E69-K87 WeakPolarHBondContact OE2-CE 3.14Å; E69-K87 IonicContact OE2-NZ 3.09Å; E69-K87 PolarHBondContact OE2-NZ 2.83Å; H72-K87 HydrophobicContact CB-CB 3.42Å; H72-K87 VanDerWaalsContact CB-CB 3.42Å; H72-K87 HydrophobicContact CB-CD 4.23Å; H72-K87 HydrophobicContact CB-CG 4.49Å; H72-K87 PolarHBondContact O-N 3.09Å
88S97.4Very high96.7Very high47 Ų4735.2 Ų35.233%0.32925%0.253SS..  trans-160115.1174.5177.40000109T53 H55T53-S88 PolarHBondContact O-N 3.49Å; H55-S88 PolarHBondContact NE2-O 3.46Å
89G91.7Very high96.7Very high116 Ų11637.9 Ų37.9100%1.19627%0.273SS*.  trans-174.70174.300000113.4E69E69-G89 PolarHBondContact OE1-N 3.12Å

Retrieved 89 of 89 residues in 20.2 ms (Link to these results)

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