A0A087YRG3_POEFO Loading...

LSM10, U7 small nuclear RNA associated

AlphaFold DB , UniProt , Accession A0A087YRG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 118 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
1D38.7Very low74.7Confident190 Ų19090.5 Ų90.5100%1.01650%0.502SS*.  071.40-52.4-26.6000113.3
2A40.1Very low76.3Confident57 Ų5783.2 Ų83.247%0.47146%0.462SS..  trans-99.82117700000113G4A2-G4 PolarHBondContact O-N 2.73Å
3A49.5Very low77.6Confident93 Ų9379.9 Ų79.977%0.76944%0.442SS*.  trans-10151.5-173.300000111.7
4G66.9Low78.9Confident20 Ų2083.1 Ų83.121%0.20646%0.458CS..  trans-72.1147.8165.800000110.6A2 E8 R9A2-G4 PolarHBondContact O-N 2.73Å; G4-E8 WeakPolarHBondContact CA-OE2 3.4Å; G4-R9 VanDerWaalsContact O-CZ 3.25Å; G4-R9 PolarHBondContact O-NE 2.75Å; G4-R9 PolarHBondContact O-NH2 3.48Å
5S84.4Confident80.1Confident70 Ų7080.6 Ų80.649%0.4945%0.448SS..  trans-56.4158.2173.61730000111.2R7 E8 R9S5-R7 PolarHBondContact O-N 3.23Å; S5-R7 PolarHBondContact OG-N 2.98Å; S5-E8 PolarHBondContact N-OE2 2.95Å; S5-E8 VanDerWaalsContact N-OE2 3.13Å; S5-E8 PolarHBondContact O-N 3.5Å; S5-R9 PolarHBondContact O-N 2.87Å
6I86.6Confident81.1Confident127 Ų12784.6 Ų84.665%0.65147%0.467SS*.Hα-helixtrans-51-41.7171.7-66.4172.5000110.1E8 R9 T10I6-E8 PolarHBondContact O-N 3.47Å; I6-R9 PolarHBondContact O-N 2.71Å; I6-T10 PolarHBondContact O-N 2.82Å; I6-T10 PolarHBondContact O-OG1 3.41Å; I6-T10 VanDerWaalsContact O-OG1 3.05Å
7R89.3Confident82Confident182 Ų18279.9 Ų79.969%0.68744%0.442SS*.Hα-helixtrans-59.2-47.4177-176.5179.5179.1-173.2-0.1112.2S5 T10 I11S5-R7 PolarHBondContact O-N 3.23Å; S5-R7 PolarHBondContact OG-N 2.98Å; R7-T10 PolarHBondContact O-N 3.21Å; R7-I11 HydrophobicContact CG-CD1 4.17Å; R7-I11 WeakPolarHBondContact O-CG1 3.3Å; R7-I11 PolarHBondContact O-N 3.32Å
8E90.1Very high82.8Confident69 Ų6975.7 Ų75.732%0.32242%0.418SS..Hα-helixtrans-65.9-39.5-179.8-70.6178166.100111.8G4 S5 I6 T10 I11 A12 A47G4-E8 WeakPolarHBondContact CA-OE2 3.4Å; S5-E8 PolarHBondContact N-OE2 2.95Å; S5-E8 VanDerWaalsContact N-OE2 3.13Å; S5-E8 PolarHBondContact O-N 3.5Å; I6-E8 PolarHBondContact O-N 3.47Å; E8-T10 VanDerWaalsContact C-N 3.34Å; E8-T10 PolarHBondContact O-N 2.85Å; E8-I11 PolarHBondContact O-N 2.9Å; E8-A12 WeakPolarHBondContact O-CB 3.35Å; E8-A12 PolarHBondContact O-N 2.85Å; E8-A47 HydrophobicContact CB-CB 3.9Å; E8-A47 HydrophobicContact CG-CB 4.16Å
9R90.2Very high83.6Confident77 Ų7773 Ų7329%0.29140%0.403SS..Hα-helixtrans-62.2-43175.1-67.4178.1-149.7159.95.6111.6G4 S5 I6 I11 A12 E13 I100G4-R9 VanDerWaalsContact O-CZ 3.25Å; G4-R9 PolarHBondContact O-NE 2.75Å; G4-R9 PolarHBondContact O-NH2 3.48Å; S5-R9 PolarHBondContact O-N 2.87Å; I6-R9 PolarHBondContact O-N 2.71Å; R9-I11 VanDerWaalsContact C-N 3.34Å; R9-I11 PolarHBondContact O-N 2.8Å; R9-A12 PolarHBondContact O-N 2.86Å; R9-E13 WeakPolarHBondContact O-CB 3.29Å; R9-E13 PolarHBondContact O-N 3.01Å; R9-I100 HydrophobicContact CB-CG2 4.48Å
10T92.3Very high84.4Confident58 Ų5870.5 Ų70.536%0.35639%0.389SS..Hα-helixtrans-63.5-39.7176.9-59.50000111.6I6 R7 E8 N14I6-T10 PolarHBondContact O-N 2.82Å; I6-T10 PolarHBondContact O-OG1 3.41Å; I6-T10 VanDerWaalsContact O-OG1 3.05Å; R7-T10 PolarHBondContact O-N 3.21Å; E8-T10 VanDerWaalsContact C-N 3.34Å; E8-T10 PolarHBondContact O-N 2.85Å; T10-N14 WeakPolarHBondContact CG2-ND2 3.34Å; T10-N14 WeakPolarHBondContact O-CB 3.27Å; T10-N14 PolarHBondContact O-N 2.82Å; T10-N14 VanDerWaalsContact O-N 3.16Å; T10-N14 PolarHBondContact O-ND2 2.92Å
11I94.2Very high85Confident52 Ų5268.9 Ų68.927%0.26738%0.379SS..Hα-helixtrans-65.2-43.8174.6-66.4164.7000110.4R7 E8 R9 N14 S15 A47 F48R7-I11 HydrophobicContact CG-CD1 4.17Å; R7-I11 WeakPolarHBondContact O-CG1 3.3Å; R7-I11 PolarHBondContact O-N 3.32Å; E8-I11 PolarHBondContact O-N 2.9Å; R9-I11 VanDerWaalsContact C-N 3.34Å; R9-I11 PolarHBondContact O-N 2.8Å; I11-N14 PolarHBondContact O-N 2.92Å; I11-S15 WeakPolarHBondContact O-CB 3.33Å; I11-S15 PolarHBondContact O-N 2.97Å; I11-S15 PolarHBondContact O-OG 2.82Å; I11-A47 HydrophobicContact CB-CB 4.04Å; I11-A47 HydrophobicContact CG2-CB 3.93Å; I11-A47 WeakPolarHBondContact CG2-O 3.36Å; I11-F48 HydrophobicContact CD1-CE1 3.93Å; I11-F48 HydrophobicContact CD1-CZ 3.9Å
12A93.6Very high87.8Confident3 Ų360.5 Ų60.53%0.02534%0.337CS..Hα-helixtrans-62.5-45.8179.300000112.3E8 R9 N14 S15 V17 V18 I100E8-A12 WeakPolarHBondContact O-CB 3.35Å; E8-A12 PolarHBondContact O-N 2.85Å; R9-A12 PolarHBondContact O-N 2.86Å; A12-N14 VanDerWaalsContact C-N 3.34Å; A12-N14 PolarHBondContact O-N 2.8Å; A12-S15 PolarHBondContact O-N 2.92Å; A12-S15 VanDerWaalsContact O-O 3.05Å; A12-V17 HydrophobicContact CB-CG1 4.06Å; A12-V18 WeakPolarHBondContact O-CB 3.35Å; A12-I100 HydrophobicContact CB-CD1 4.37Å
13E93.4Very high90.5Very high41 Ų4157.9 Ų57.919%0.19232%0.315CS..Hα-helixtrans-64.5-36.4179.3-174.9178.5-167.300113R9 L97 I100 H101 R104R9-E13 WeakPolarHBondContact O-CB 3.29Å; R9-E13 PolarHBondContact O-N 3.01Å; E13-L97 HydrophobicContact CB-CD2 4.35Å; E13-L97 HydrophobicContact CG-CD2 3.83Å; E13-I100 HydrophobicContact CB-CD1 4.29Å; E13-I100 HydrophobicContact CB-CG2 4.49Å; E13-H101 IonicContact OE1-CD2 3.61Å; E13-H101 PolarHBondContact OE1-CD2 3.03Å; E13-H101 VanDerWaalsContact OE1-CD2 3.31Å; E13-H101 IonicContact OE1-NE2 3.8Å; E13-H101 PolarHBondContact OE1-NE2 2.79Å; E13-R104 IonicContact OE1-CZ 2.92Å; E13-R104 IonicContact OE1-NH1 3.98Å; E13-R104 PolarHBondContact OE1-NH1 2.61Å; E13-R104 IonicContact OE1-NH2 3.96Å; E13-R104 IonicContact OE2-CZ 2.66Å; E13-R104 VanDerWaalsContact OE2-CZ 3.25Å; E13-R104 IonicContact OE2-NH1 3.86Å; E13-R104 PolarHBondContact OE2-NH1 3.44Å; E13-R104 IonicContact OE2-NH2 2.61Å; E13-R104 PolarHBondContact OE2-NH2 3.04Å
14N95.4Very high92.8Very high125 Ų12558.2 Ų58.267%0.66830%0.301SS*.THydrogen-bonded Turntrans-96.314.2-175.6-63.9-60.2000113.5T10 I11 A12T10-N14 WeakPolarHBondContact CG2-ND2 3.34Å; T10-N14 WeakPolarHBondContact O-CB 3.27Å; T10-N14 PolarHBondContact O-N 2.82Å; T10-N14 VanDerWaalsContact O-N 3.16Å; T10-N14 PolarHBondContact O-ND2 2.92Å; I11-N14 PolarHBondContact O-N 2.92Å; A12-N14 VanDerWaalsContact C-N 3.34Å; A12-N14 PolarHBondContact O-N 2.8Å
15S96.4Very high94.3Very high45 Ų4559.4 Ų59.432%0.31531%0.313SS..SBendtrans-143.5167177.471.20000112.1I11 A12 V17 V18I11-S15 WeakPolarHBondContact O-CB 3.33Å; I11-S15 PolarHBondContact O-N 2.97Å; I11-S15 PolarHBondContact O-OG 2.82Å; A12-S15 PolarHBondContact O-N 2.92Å; A12-S15 VanDerWaalsContact O-O 3.05Å; S15-V17 PolarHBondContact O-N 2.96Å; S15-V17 WeakPolarHBondContact OG-CG1 3.48Å; S15-V18 WeakPolarHBondContact O-CG1 3.3Å
16L96.8Very high94.9Very high144 Ų14458.3 Ų58.375%0.75430%0.3SS*.THydrogen-bonded Turntrans-73.6-2.6179.6-66.8177.4000113.9V18 L19L16-V18 PolarHBondContact O-N 3.27Å; L16-V18 VanDerWaalsContact O-N 3.12Å; L16-L19 WeakPolarHBondContact O-CB 3.32Å; L16-L19 PolarHBondContact O-N 2.85Å
17V96.9Very high95.5Very high6 Ų655 Ų554%0.03629%0.286CS..Hα-helixtrans-60.1-24.417675.60000112.1A12 S15 L19 L20 Q21 V45 D46 M49A12-V17 HydrophobicContact CB-CG1 4.06Å; S15-V17 PolarHBondContact O-N 2.96Å; S15-V17 WeakPolarHBondContact OG-CG1 3.48Å; V17-L19 PolarHBondContact O-N 3.5Å; V17-L20 WeakPolarHBondContact O-CB 3.5Å; V17-L20 PolarHBondContact O-N 2.85Å; V17-Q21 WeakPolarHBondContact O-CG 3.24Å; V17-Q21 PolarHBondContact O-N 2.9Å; V17-V45 HydrophobicContact CG2-CG1 4.03Å; V17-D46 WeakPolarHBondContact CG2-O 3.37Å; V17-M49 HydrophobicContact CB-CG 4.35Å; V17-M49 HydrophobicContact CG2-CG 3.76Å
18V96.6Very high95.9Very high3 Ų346.5 Ų46.52%0.01825%0.254CS..Hα-helixtrans-56.6-33.1174.373.10000112.8A12 S15 L16 G22 V93 Q96 L97A12-V18 WeakPolarHBondContact O-CB 3.35Å; S15-V18 WeakPolarHBondContact O-CG1 3.3Å; L16-V18 PolarHBondContact O-N 3.27Å; L16-V18 VanDerWaalsContact O-N 3.12Å; V18-G22 PolarHBondContact O-N 2.86Å; V18-G22 VanDerWaalsContact O-N 3.13Å; V18-V93 HydrophobicContact CG1-CB 4.48Å; V18-V93 HydrophobicContact CG1-CG1 3.92Å; V18-V93 HydrophobicContact CG1-CG2 4.15Å; V18-Q96 HydrophobicContact CG2-CB 3.26Å; V18-Q96 HydrophobicContact CG2-CG 4.15Å; V18-L97 HydrophobicContact CG2-CD2 4.34Å; V18-L97 HydrophobicContact CG2-CG 4.48Å
19L98Very high96.3Very high25 Ų2544.3 Ų44.313%0.13125%0.245CC..Hα-helixtrans-64.8-47.4174176.859.8000110.5L16 V17 Q21 G22 L23 V83 I89 T92 V93L16-L19 WeakPolarHBondContact O-CB 3.32Å; L16-L19 PolarHBondContact O-N 2.85Å; V17-L19 PolarHBondContact O-N 3.5Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; L19-Q21 PolarHBondContact O-N 2.85Å; L19-G22 WeakPolarHBondContact O-CA 3.36Å; L19-G22 PolarHBondContact O-N 3.06Å; L19-L23 PolarHBondContact O-N 3.02Å; L19-V83 HydrophobicContact CD2-CG2 4.44Å; L19-I89 HydrophobicContact CD1-CB 4.35Å; L19-I89 HydrophobicContact CD1-CG1 4.45Å; L19-I89 HydrophobicContact CD1-CG2 3.94Å; L19-I89 HydrophobicContact CD2-CG2 3.86Å; L19-T92 HydrophobicContact CD1-CG2 4.08Å; L19-V93 HydrophobicContact CB-CG2 3.96Å; L19-V93 HydrophobicContact CD1-CG2 4.14Å
20L97.8Very high96.7Very high22 Ų2240.6 Ų40.612%0.11523%0.231CC..Hα-helixtrans-64.8-36.9179.9-57.8-173.9000112V17 G22 L23 V45 M49 V81V17-L20 WeakPolarHBondContact O-CB 3.5Å; V17-L20 PolarHBondContact O-N 2.85Å; L20-G22 PolarHBondContact O-N 2.85Å; L20-L23 HydrophobicContact CD2-CD1 4Å; L20-L23 WeakPolarHBondContact O-CB 3.24Å; L20-L23 PolarHBondContact O-N 2.89Å; L20-V45 HydrophobicContact CB-CB 4.43Å; L20-V45 HydrophobicContact CB-CG1 3.95Å; L20-V45 HydrophobicContact CB-CG2 4.24Å; L20-V45 WeakPolarHBondContact O-CG2 3.35Å; L20-M49 HydrophobicContact CD1-CG 4.24Å; L20-M49 HydrophobicContact CD1-SD 4.28Å; L20-V81 HydrophobicContact CD1-CG2 4.2Å; L20-V81 HydrophobicContact CD2-CB 3.83Å; L20-V81 HydrophobicContact CD2-CG1 3.86Å; L20-V81 HydrophobicContact CD2-CG2 4.04Å
21Q97.3Very high97.1Very high37 Ų3740.9 Ų40.917%0.17323%0.228CC..Hα-helixtrans-60.8-35171.9-71.2176.2-19.200111.9V17 L19 L23 Q24 V45V17-Q21 WeakPolarHBondContact O-CG 3.24Å; V17-Q21 PolarHBondContact O-N 2.9Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; L19-Q21 PolarHBondContact O-N 2.85Å; Q21-L23 PolarHBondContact O-N 3.02Å; Q21-Q24 PolarHBondContact O-N 3.41Å; Q21-V45 HydrophobicContact CG-CB 4.15Å; Q21-V45 WeakPolarHBondContact CG-O 3.47Å
22G97.3Very high97.3Very high14 Ų1439.1 Ų39.114%0.14422%0.22CC..Hα-helixtrans-68.2-16173.300000114.9V18 L19 L20 Q24V18-G22 PolarHBondContact O-N 2.86Å; V18-G22 VanDerWaalsContact O-N 3.13Å; L19-G22 WeakPolarHBondContact O-CA 3.36Å; L19-G22 PolarHBondContact O-N 3.06Å; L20-G22 PolarHBondContact O-N 2.85Å; G22-Q24 PolarHBondContact O-N 2.94Å
23L97.9Very high97.5Very high2 Ų246.7 Ų46.71%0.0125%0.248CC..THydrogen-bonded Turntrans-80.6-0.9176.3-55.4-176.6000113.4L19 L20 Q21 G25 H26 V42 V81 V83 V87L19-L23 PolarHBondContact O-N 3.02Å; L20-L23 HydrophobicContact CD2-CD1 4Å; L20-L23 WeakPolarHBondContact O-CB 3.24Å; L20-L23 PolarHBondContact O-N 2.89Å; Q21-L23 PolarHBondContact O-N 3.02Å; L23-G25 PolarHBondContact O-N 3.41Å; L23-H26 VanDerWaalsContact O-CB 3.23Å; L23-H26 WeakPolarHBondContact O-CB 3.25Å; L23-H26 PolarHBondContact O-N 2.76Å; L23-H26 PolarHBondContact O-ND1 3.41Å; L23-V42 HydrophobicContact CB-CG2 4.41Å; L23-V81 HydrophobicContact CD1-CG1 3.97Å; L23-V83 HydrophobicContact CD2-CG1 4.43Å; L23-V87 HydrophobicContact CD2-CB 4.45Å; L23-V87 HydrophobicContact CD2-CG1 3.89Å; L23-V87 HydrophobicContact CD2-CG2 4.11Å
24Q97.8Very high97.7Very high101 Ų10148 Ų4847%0.47226%0.256SS..THydrogen-bonded Turntrans-50.1133.4176.1-175.4173.8400111.3Q21 G22 H26 L43Q21-Q24 PolarHBondContact O-N 3.41Å; G22-Q24 PolarHBondContact O-N 2.94Å; Q24-H26 VanDerWaalsContact C-N 3.27Å; Q24-H26 PolarHBondContact O-N 3.46Å; Q24-H26 PolarHBondContact O-ND1 3.36Å; Q24-L43 VanDerWaalsContact CD-O 3.3Å; Q24-L43 WeakPolarHBondContact CG-O 3.32Å; Q24-L43 PolarHBondContact NE2-O 3.35Å
25G97.8Very high97.8Very high44 Ų4449.4 Ų49.445%0.45426%0.258SS..THydrogen-bonded Turntrans82.1-10.1-175.700000115.2L23 R41 V42L23-G25 PolarHBondContact O-N 3.41Å; G25-R41 WeakPolarHBondContact O-CG 2.97Å; G25-V42 PolarHBondContact N-O 2.56Å
26H98.1Very high97.9Very high47 Ų4747.4 Ų47.422%0.21824%0.244CC..  trans-87.3147.9176.5-66.569.3000111.7L23 Q24 R41 V42 P84 R86L23-H26 VanDerWaalsContact O-CB 3.23Å; L23-H26 WeakPolarHBondContact O-CB 3.25Å; L23-H26 PolarHBondContact O-N 2.76Å; L23-H26 PolarHBondContact O-ND1 3.41Å; Q24-H26 VanDerWaalsContact C-N 3.27Å; Q24-H26 PolarHBondContact O-N 3.46Å; Q24-H26 PolarHBondContact O-ND1 3.36Å; H26-R41 CarbonylContact O-C 3.56Å; H26-R41 WeakPolarHBondContact O-CA 3.45Å; H26-V42 PolarHBondContact O-N 3.28Å; H26-P84 HydrophobicContact CB-CG 4.13Å; H26-R86 PolarHBondContact CD2-NE 2.93Å
27V98.4Very high98Very high59 Ų5942.2 Ų42.236%0.35822%0.219SC..EExtended strand (participates in β ladder)trans-83.4122.5166178.60000108.2R39 G40 R41V27-R39 HydrophobicContact CG1-CG 4.22Å; V27-G40 WeakPolarHBondContact CA-O 3.38Å; V27-R41 HydrophobicContact CG2-CB 4.17Å
28T98.3Very high98.1Very high2 Ų242 Ų421%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-132.9166.4179.2-177.60000109.9V30 R39 G40 V42 V81 H82T28-V30 HydrophobicContact CG2-CG2 4.34Å; T28-R39 VanDerWaalsContact O-CA 3.32Å; T28-R39 WeakPolarHBondContact O-CA 3.42Å; T28-G40 PolarHBondContact N-O 3.29Å; T28-G40 PolarHBondContact O-N 2.66Å; T28-V42 HydrophobicContact CG2-CG2 3.34Å; T28-V81 HydrophobicContact CG2-CG1 4.28Å; T28-H82 PolarHBondContact OG1-O 3.43Å
29T98.7Very high98.2Very high23 Ų2347.9 Ų47.914%0.14124%0.239CC..EExtended strand (participates in β ladder)trans-107.2127169.1-56.10000108.4A38 R39 H82T29-A38 WeakPolarHBondContact CA-O 3.45Å; T29-R39 PolarHBondContact OG1-NH1 2.95Å; T29-H82 WeakPolarHBondContact O-CB 3.48Å; T29-H82 PolarHBondContact O-CD2 3.13Å; T29-H82 VanDerWaalsContact O-CD2 3.22Å; T29-H82 PolarHBondContact O-N 3.22Å
30V98.8Very high98.2Very high0 Ų046.8 Ų46.80%023%0.234CC..EExtended strand (participates in β ladder)trans-105.4118.2172-177.40000107.7T28 T37 A38 I51 L53 V73 V78 Y80 V81T28-V30 HydrophobicContact CG2-CG2 4.34Å; V30-T37 WeakPolarHBondContact O-CA 3.44Å; V30-A38 PolarHBondContact N-O 2.57Å; V30-A38 PolarHBondContact O-N 3.44Å; V30-I51 HydrophobicContact CG1-CD1 4.29Å; V30-I51 HydrophobicContact CG2-CD1 3.96Å; V30-L53 HydrophobicContact CG2-CD1 4.21Å; V30-V73 HydrophobicContact CG1-CG1 4.46Å; V30-V78 HydrophobicContact CG1-CG1 4.15Å; V30-V78 HydrophobicContact CG1-CG2 4.13Å; V30-Y80 CarbonylContact C-O 3.55Å; V30-Y80 WeakPolarHBondContact CA-O 3.34Å; V30-V81 HydrophobicContact CG2-CG2 4.48Å
31E98.6Very high98.3Very high63 Ų6350.6 Ų50.629%0.29425%0.247SC..EExtended strand (participates in β ladder)trans-91.9129.9171.1-60.8-171.9-16400109.6T37 R79 Y80 H82E31-T37 HydrophobicContact CG-CG2 4.08Å; E31-R79 WeakPolarHBondContact O-CA 3.49Å; E31-R79 WeakPolarHBondContact O-CB 3.29Å; E31-R79 PolarHBondContact O-N 3.4Å; E31-Y80 HydrophobicContact CB-CD2 4.08Å; E31-Y80 PolarHBondContact N-O 2.88Å; E31-Y80 PolarHBondContact O-N 3.39Å; E31-Y80 VanDerWaalsContact O-N 3.13Å; E31-Y80 VanDerWaalsContact OE2-CD2 3.26Å; E31-Y80 WeakPolarHBondContact OE2-CD2 3.38Å; E31-H82 IonicContact OE1-CD2 3.46Å; E31-H82 IonicContact OE1-CE1 2.76Å; E31-H82 PolarHBondContact OE1-CE1 3.29Å; E31-H82 IonicContact OE1-NE2 3.99Å; E31-H82 PolarHBondContact OE1-NE2 3.15Å
32L98.6Very high98.3Very high16 Ų1649 Ų498%0.08424%0.24CC..EExtended strand (participates in β ladder)trans-93.2155.2-177.6-64.1163.1000110.1D34 E35 S36 F58 V73 N77L32-D34 WeakPolarHBondContact CB-OD1 3.39Å; L32-D34 PolarHBondContact O-N 2.85Å; L32-D34 VanDerWaalsContact O-N 3.07Å; L32-E35 PolarHBondContact O-N 2.92Å; L32-S36 WeakPolarHBondContact CB-O 3.49Å; L32-S36 WeakPolarHBondContact CB-OG 3.33Å; L32-S36 WeakPolarHBondContact CD1-OG 3.35Å; L32-S36 PolarHBondContact N-O 2.89Å; L32-F58 HydrophobicContact CD1-CE2 3.73Å; L32-V73 HydrophobicContact CD2-CB 4.44Å; L32-V73 HydrophobicContact CD2-CG1 3.38Å; L32-V73 HydrophobicContact CD2-CG2 4.22Å; L32-N77 CarbonylContact C-O 3.45Å; L32-N77 WeakPolarHBondContact CA-O 3.27Å; L32-N77 HydrophobicContact CD2-CB 4.04Å; L32-N77 WeakPolarHBondContact CD2-O 3.23Å
33R98.4Very high98.4Very high162 Ų16250.8 Ų50.861%0.61125%0.246SC*.THydrogen-bonded Turntrans-60-20.3179.8-74.4-175.3-179-96.8-6.2114E35 R76 N77 R79R33-E35 VanDerWaalsContact C-N 3.29Å; R33-R76 WeakPolarHBondContact CD-O 3.1Å; R33-R76 PolarHBondContact NE-O 2.96Å; R33-N77 PolarHBondContact N-O 2.83Å; R33-R79 HydrophobicContact CG-CB 4.23Å
34D97.6Very high98.4Very high67 Ų6752.3 Ų52.336%0.35826%0.256SS..THydrogen-bonded Turntrans-97.617.1-17889.6-44.8000112.4L32 S36 R61L32-D34 WeakPolarHBondContact CB-OD1 3.39Å; L32-D34 PolarHBondContact O-N 2.85Å; L32-D34 VanDerWaalsContact O-N 3.07Å; D34-S36 PolarHBondContact O-N 3.28Å; D34-S36 WeakPolarHBondContact OD1-CB 3.38Å; D34-S36 PolarHBondContact OD1-N 2.66Å; D34-S36 PolarHBondContact OD1-OG 2.86Å; D34-R61 VanDerWaalsContact CB-NH2 3.33Å; D34-R61 PolarHBondContact O-NE 3.33Å; D34-R61 IonicContact OD2-CZ 3.03Å; D34-R61 IonicContact OD2-NE 2.93Å; D34-R61 IonicContact OD2-NH2 3.93Å; D34-R61 PolarHBondContact OD2-NH2 3.34Å
35E97.9Very high98.3Very high156 Ų15648.4 Ų48.473%0.72924%0.239SC*.SBendtrans68.611.3176.8-54.9172.2170.200114.4L32 R33 R61L32-E35 PolarHBondContact O-N 2.92Å; R33-E35 VanDerWaalsContact C-N 3.29Å; E35-R61 HydrophobicContact CB-CB 4.14Å
36S98.4Very high98.2Very high3 Ų348.6 Ų48.62%0.02123%0.23CC..  trans-82.4156.4167.263.10000111.8L32 D34 Q59L32-S36 WeakPolarHBondContact CB-O 3.49Å; L32-S36 WeakPolarHBondContact CB-OG 3.33Å; L32-S36 WeakPolarHBondContact CD1-OG 3.35Å; L32-S36 PolarHBondContact N-O 2.89Å; D34-S36 PolarHBondContact O-N 3.28Å; D34-S36 WeakPolarHBondContact OD1-CB 3.38Å; D34-S36 PolarHBondContact OD1-N 2.66Å; D34-S36 PolarHBondContact OD1-OG 2.86Å; S36-Q59 CarbonylContact C-O 3.57Å; S36-Q59 VanDerWaalsContact CA-O 3.25Å; S36-Q59 WeakPolarHBondContact CA-O 3.47Å; S36-Q59 VanDerWaalsContact CB-O 3.24Å; S36-Q59 WeakPolarHBondContact CB-O 3.44Å
37T98.7Very high98.1Very high35 Ų3546.7 Ų46.722%0.21522%0.223CC..EExtended strand (participates in β ladder)trans-125.5143.2179.670.30000111V30 E31 F58 Q59V30-T37 WeakPolarHBondContact O-CA 3.44Å; E31-T37 HydrophobicContact CG-CG2 4.08Å; T37-F58 CarbonylContact O-C 3.53Å; T37-F58 WeakPolarHBondContact O-CA 3.46Å; T37-F58 WeakPolarHBondContact O-CD2 3.41Å; T37-Q59 PolarHBondContact N-O 3.17Å; T37-Q59 PolarHBondContact O-N 2.84Å
38A98.8Very high98Very high0 Ų049 Ų490%023%0.228CC..EExtended strand (participates in β ladder)trans-127.8110.3175.400000109.3T29 V30 L53 V56 F58 L71T29-A38 WeakPolarHBondContact CA-O 3.45Å; V30-A38 PolarHBondContact N-O 2.57Å; V30-A38 PolarHBondContact O-N 3.44Å; A38-L53 HydrophobicContact CB-CD1 3.89Å; A38-V56 HydrophobicContact CB-CG1 4.07Å; A38-F58 HydrophobicContact CB-CD2 4.19Å; A38-L71 HydrophobicContact CB-CD2 3.53Å
39R98.8Very high97.9Very high127 Ų12752.6 Ų52.648%0.47925%0.246SC..EExtended strand (participates in β ladder)trans-103.5120.2174-178.9176.6178.876.8-2109.8V27 T28 T29 V56 V57V27-R39 HydrophobicContact CG1-CG 4.22Å; T28-R39 VanDerWaalsContact O-CA 3.32Å; T28-R39 WeakPolarHBondContact O-CA 3.42Å; T29-R39 PolarHBondContact OG1-NH1 2.95Å; R39-V56 CarbonylContact O-C 3.53Å; R39-V56 VanDerWaalsContact O-CA 3.3Å; R39-V56 WeakPolarHBondContact O-CA 3.46Å; R39-V57 PolarHBondContact N-O 2.92Å; R39-V57 PolarHBondContact O-N 3.05Å
40G98.7Very high97.9Very high2 Ų253.2 Ų53.22%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-168.8177-178.600000112.5V27 T28V27-G40 WeakPolarHBondContact CA-O 3.38Å; T28-G40 PolarHBondContact N-O 3.29Å; T28-G40 PolarHBondContact O-N 2.66Å
41R98.7Very high97.9Very high102 Ų10253.4 Ų53.439%0.38525%0.249SC..EExtended strand (participates in β ladder)trans-81.2129.5176.2-170.1-174.6-59.6147.5-2.5110.4G25 H26 V27 L43 L53 E54G25-R41 WeakPolarHBondContact O-CG 2.97Å; H26-R41 CarbonylContact O-C 3.56Å; H26-R41 WeakPolarHBondContact O-CA 3.45Å; V27-R41 HydrophobicContact CG2-CB 4.17Å; R41-L43 PolarHBondContact O-N 3.35Å; R41-L53 CarbonylContact O-C 3.6Å; R41-L53 VanDerWaalsContact O-CA 3.24Å; R41-L53 WeakPolarHBondContact O-CA 3.41Å; R41-E54 HydrophobicContact CB-CG 3.81Å; R41-E54 VanDerWaalsContact CD-OE1 3.3Å; R41-E54 WeakPolarHBondContact CD-OE1 3Å; R41-E54 IonicContact CZ-OE1 3.56Å; R41-E54 PolarHBondContact N-O 3.35Å; R41-E54 IonicContact NE-OE1 3.76Å; R41-E54 IonicContact NH1-OE1 2.73Å; R41-E54 PolarHBondContact NH1-OE1 3.25Å; R41-E54 PolarHBondContact O-N 3.13Å
42V98.6Very high97.9Very high4 Ų457.3 Ų57.32%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-71114.4176.6-174.90000110.3L23 G25 H26 T28 V45 I51 L53L23-V42 HydrophobicContact CB-CG2 4.41Å; G25-V42 PolarHBondContact N-O 2.56Å; H26-V42 PolarHBondContact O-N 3.28Å; T28-V42 HydrophobicContact CG2-CG2 3.34Å; V42-V45 HydrophobicContact CG1-CG2 3.71Å; V42-I51 HydrophobicContact CG1-CG2 4.39Å; V42-L53 HydrophobicContact CG2-CD2 4.03Å
43L98.4Very high97.9Very high52 Ų5256.6 Ų56.627%0.27226%0.257SS..EExtended strand (participates in β ladder)trans-83.6-44.1172.3-75.5-176.3000112.1Q24 R41 R52 E54Q24-L43 VanDerWaalsContact CD-O 3.3Å; Q24-L43 WeakPolarHBondContact CG-O 3.32Å; Q24-L43 PolarHBondContact NE2-O 3.35Å; R41-L43 PolarHBondContact O-N 3.35Å; L43-R52 HydrophobicContact CB-CB 3.99Å; L43-R52 PolarHBondContact N-O 3.04Å; L43-E54 HydrophobicContact CD1-CB 3.9Å; L43-E54 HydrophobicContact CD1-CG 4.26Å; L43-E54 HydrophobicContact CD2-CB 4.46Å; L43-E54 VanDerWaalsContact CD2-CD 3.43Å; L43-E54 HydrophobicContact CD2-CG 3.9Å; L43-E54 WeakPolarHBondContact CD2-OE2 3.37Å; L43-E54 HydrophobicContact CG-CB 4.04Å; L43-E54 HydrophobicContact CG-CG 3.89Å
44S97.4Very high97.9Very high33 Ų3351.1 Ų51.123%0.23124%0.238CC..EExtended strand (participates in β ladder)trans-162.6151.3179.664.80000111.3R52S44-R52 PolarHBondContact N-O 3.43Å; S44-R52 PolarHBondContact O-N 3.38Å; S44-R52 WeakPolarHBondContact OG-CD 3.26Å
45V97.6Very high97.9Very high19 Ų1953.1 Ų53.112%0.11525%0.249CC..EExtended strand (participates in β ladder)trans-128.1129.3168.8-173.90000108.4V17 L20 Q21 V42 N50 I51V17-V45 HydrophobicContact CG2-CG1 4.03Å; L20-V45 HydrophobicContact CB-CB 4.43Å; L20-V45 HydrophobicContact CB-CG1 3.95Å; L20-V45 HydrophobicContact CB-CG2 4.24Å; L20-V45 WeakPolarHBondContact O-CG2 3.35Å; Q21-V45 HydrophobicContact CG-CB 4.15Å; Q21-V45 WeakPolarHBondContact CG-O 3.47Å; V42-V45 HydrophobicContact CG1-CG2 3.71Å; V45-N50 WeakPolarHBondContact CA-O 3.02Å; V45-I51 HydrophobicContact CG1-CG1 4.3Å; V45-I51 HydrophobicContact CG2-CG1 4.21Å; V45-I51 HydrophobicContact CG2-CG2 4.26Å
46D95.7Very high98Very high48 Ų4845.8 Ų45.826%0.25722%0.215SC..  trans-89.6179.4176.177.18.5000112.7V17 F48 M49 N50V17-D46 WeakPolarHBondContact CG2-O 3.37Å; D46-F48 PolarHBondContact O-N 3.13Å; D46-F48 VanDerWaalsContact OD1-C 3.3Å; D46-F48 WeakPolarHBondContact OD1-CA 3.44Å; D46-F48 PolarHBondContact OD1-N 3.44Å; D46-M49 PolarHBondContact O-N 3.01Å; D46-M49 PolarHBondContact OD1-N 2.94Å; D46-M49 VanDerWaalsContact OD1-N 3.13Å; D46-N50 PolarHBondContact N-O 3.03Å; D46-N50 VanDerWaalsContact N-O 3.09Å; D46-N50 WeakPolarHBondContact OD1-CB 3.18Å; D46-N50 PolarHBondContact OD1-N 3.13Å; D46-N50 PolarHBondContact OD1-ND2 2.8Å; D46-N50 WeakPolarHBondContact OD2-CB 3.41Å; D46-N50 PolarHBondContact OD2-ND2 2.78Å
47A94.9Very high98Very high8 Ų848.1 Ų48.17%0.06623%0.229CC..THydrogen-bonded Turntrans-66.9-12.3-179.100000114.2E8 I11E8-A47 HydrophobicContact CB-CB 3.9Å; E8-A47 HydrophobicContact CG-CB 4.16Å; I11-A47 HydrophobicContact CB-CB 4.04Å; I11-A47 HydrophobicContact CG2-CB 3.93Å; I11-A47 WeakPolarHBondContact CG2-O 3.36Å
48F95.6Very high98Very high106 Ų10648.5 Ų48.547%0.46523%0.228SC..THydrogen-bonded Turntrans-107.715.8-179.8-55.5-75.7000112.2I11 D46 N50 G75I11-F48 HydrophobicContact CD1-CE1 3.93Å; I11-F48 HydrophobicContact CD1-CZ 3.9Å; D46-F48 PolarHBondContact O-N 3.13Å; D46-F48 VanDerWaalsContact OD1-C 3.3Å; D46-F48 WeakPolarHBondContact OD1-CA 3.44Å; D46-F48 PolarHBondContact OD1-N 3.44Å; F48-N50 PolarHBondContact O-N 3.07Å; F48-G75 WeakPolarHBondContact O-CA 3.33Å
49M97.4Very high98Very high79 Ų7952.3 Ų52.339%0.38925%0.246SC..  trans61.923-176.8-55.2-175.7-64.500114.1V17 L20 D46 I51 G75V17-M49 HydrophobicContact CB-CG 4.35Å; V17-M49 HydrophobicContact CG2-CG 3.76Å; L20-M49 HydrophobicContact CD1-CG 4.24Å; L20-M49 HydrophobicContact CD1-SD 4.28Å; D46-M49 PolarHBondContact O-N 3.01Å; D46-M49 PolarHBondContact OD1-N 2.94Å; D46-M49 VanDerWaalsContact OD1-N 3.13Å; M49-I51 WeakPolarHBondContact O-CG1 3.49Å; M49-I51 PolarHBondContact O-N 3.05Å; M49-G75 VanDerWaalsContact C-CA 3.5Å; M49-G75 WeakPolarHBondContact O-CA 3.35Å
50N97.9Very high98Very high36 Ų3647.7 Ų47.719%0.19323%0.23CC..  trans-71.6127.5166.7-56.9-54.1000108.8V45 D46 F48 F72 V73 T74 G75V45-N50 WeakPolarHBondContact CA-O 3.02Å; D46-N50 PolarHBondContact N-O 3.03Å; D46-N50 VanDerWaalsContact N-O 3.09Å; D46-N50 WeakPolarHBondContact OD1-CB 3.18Å; D46-N50 PolarHBondContact OD1-N 3.13Å; D46-N50 PolarHBondContact OD1-ND2 2.8Å; D46-N50 WeakPolarHBondContact OD2-CB 3.41Å; D46-N50 PolarHBondContact OD2-ND2 2.78Å; F48-N50 PolarHBondContact O-N 3.07Å; N50-F72 HydrophobicContact CB-CE2 3.71Å; N50-F72 HydrophobicContact CB-CZ 3.61Å; N50-V73 CarbonylContact C-O 3.58Å; N50-V73 WeakPolarHBondContact CA-O 3.48Å; N50-T74 VanDerWaalsContact OD1-CA 3.29Å; N50-T74 WeakPolarHBondContact OD1-CA 3.4Å; N50-G75 PolarHBondContact OD1-N 3.43Å
51I98.6Very high97.8Very high3 Ų354.9 Ų54.92%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-115.3127.3-172.1-51.1179.1000109.2V30 V42 V45 M49 L53 V73 V78 V81V30-I51 HydrophobicContact CG1-CD1 4.29Å; V30-I51 HydrophobicContact CG2-CD1 3.96Å; V42-I51 HydrophobicContact CG1-CG2 4.39Å; V45-I51 HydrophobicContact CG1-CG1 4.3Å; V45-I51 HydrophobicContact CG2-CG1 4.21Å; V45-I51 HydrophobicContact CG2-CG2 4.26Å; M49-I51 WeakPolarHBondContact O-CG1 3.49Å; M49-I51 PolarHBondContact O-N 3.05Å; I51-L53 HydrophobicContact CG2-CD2 3.75Å; I51-L53 HydrophobicContact CG2-CG 3.95Å; I51-V73 HydrophobicContact CB-CB 4.4Å; I51-V73 PolarHBondContact N-O 2.94Å; I51-V73 PolarHBondContact O-N 3.01Å; I51-V78 HydrophobicContact CD1-CG2 4.13Å; I51-V81 HydrophobicContact CD1-CG2 4.08Å
52R98.7Very high97.8Very high146 Ų14659.9 Ų59.955%0.55128%0.276SS*.EExtended strand (participates in β ladder)trans-97.4126.8165.9-68.6179.6-177.4-178.3-0.6108.8L43 S44 F72L43-R52 HydrophobicContact CB-CB 3.99Å; L43-R52 PolarHBondContact N-O 3.04Å; S44-R52 PolarHBondContact N-O 3.43Å; S44-R52 PolarHBondContact O-N 3.38Å; S44-R52 WeakPolarHBondContact OG-CD 3.26Å; R52-F72 HydrophobicContact CG-CD2 3.67Å; R52-F72 HydrophobicContact CG-CE2 4.22Å
53L98.8Very high97.6Very high1 Ų161.4 Ų61.41%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-118.4148.8176.5-60.1171.7000110V30 A38 R41 V42 I51 V56 Q70 L71V30-L53 HydrophobicContact CG2-CD1 4.21Å; A38-L53 HydrophobicContact CB-CD1 3.89Å; R41-L53 CarbonylContact O-C 3.6Å; R41-L53 VanDerWaalsContact O-CA 3.24Å; R41-L53 WeakPolarHBondContact O-CA 3.41Å; V42-L53 HydrophobicContact CG2-CD2 4.03Å; I51-L53 HydrophobicContact CG2-CD2 3.75Å; I51-L53 HydrophobicContact CG2-CG 3.95Å; L53-V56 HydrophobicContact CB-CG2 3.47Å; L53-V56 VanDerWaalsContact CB-CG2 3.47Å; L53-Q70 WeakPolarHBondContact O-CA 3.34Å; L53-L71 HydrophobicContact CB-CB 4.46Å; L53-L71 PolarHBondContact N-O 2.83Å; L53-L71 PolarHBondContact O-N 2.92Å
54E98.7Very high97.6Very high46 Ų4666.8 Ų66.822%0.21531%0.309CS..EExtended strand (participates in β ladder)trans-121.8161.5166.666.6178.8-172.500111.5R41 L43 V56 Q69R41-E54 HydrophobicContact CB-CG 3.81Å; R41-E54 VanDerWaalsContact CD-OE1 3.3Å; R41-E54 WeakPolarHBondContact CD-OE1 3Å; R41-E54 IonicContact CZ-OE1 3.56Å; R41-E54 PolarHBondContact N-O 3.35Å; R41-E54 IonicContact NE-OE1 3.76Å; R41-E54 IonicContact NH1-OE1 2.73Å; R41-E54 PolarHBondContact NH1-OE1 3.25Å; R41-E54 PolarHBondContact O-N 3.13Å; L43-E54 HydrophobicContact CD1-CB 3.9Å; L43-E54 HydrophobicContact CD1-CG 4.26Å; L43-E54 HydrophobicContact CD2-CB 4.46Å; L43-E54 VanDerWaalsContact CD2-CD 3.43Å; L43-E54 HydrophobicContact CD2-CG 3.9Å; L43-E54 WeakPolarHBondContact CD2-OE2 3.37Å; L43-E54 HydrophobicContact CG-CB 4.04Å; L43-E54 HydrophobicContact CG-CG 3.89Å; E54-V56 PolarHBondContact O-N 3.43Å; E54-Q69 VanDerWaalsContact CA-O 3.29Å; E54-Q69 WeakPolarHBondContact CA-O 3.09Å
55D98.6Very high97.6Very high110 Ų11068.8 Ų68.859%0.58832%0.32SS*.EExtended strand (participates in β ladder)trans49.658.3-179.2-62.9-37.8000111.8Q69D55-Q69 PolarHBondContact N-O 3.41Å
56V98.8Very high97.7Very high1 Ų171.2 Ų71.21%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-97.3129.8-164.9-170.80000111.4A38 R39 L53 E54 H67 L68 L71A38-V56 HydrophobicContact CB-CG1 4.07Å; R39-V56 CarbonylContact O-C 3.53Å; R39-V56 VanDerWaalsContact O-CA 3.3Å; R39-V56 WeakPolarHBondContact O-CA 3.46Å; L53-V56 HydrophobicContact CB-CG2 3.47Å; L53-V56 VanDerWaalsContact CB-CG2 3.47Å; E54-V56 PolarHBondContact O-N 3.43Å; V56-H67 CarbonylContact O-C 3.56Å; V56-H67 WeakPolarHBondContact O-CA 3.4Å; V56-L68 HydrophobicContact CB-CB 4.32Å; V56-L68 PolarHBondContact N-O 3.39Å; V56-L68 PolarHBondContact O-N 2.92Å; V56-L71 HydrophobicContact CB-CB 4.31Å; V56-L71 HydrophobicContact CG1-CB 4.22Å; V56-L71 HydrophobicContact CG1-CD2 3.96Å; V56-L71 HydrophobicContact CG2-CB 3.89Å
57V98.8Very high97.8Very high53 Ų5376.4 Ų76.432%0.32136%0.357SS..EExtended strand (participates in β ladder)trans-95.2107.6161.3-174.60000107.2R39 T65R39-V57 PolarHBondContact N-O 2.92Å; R39-V57 PolarHBondContact O-N 3.05Å; V57-T65 HydrophobicContact CG1-CG2 3.37Å
58F98.8Very high98Very high43 Ų4378.9 Ų78.919%0.18937%0.369CS..EExtended strand (participates in β ladder)trans-99.5132.2176179.7-91.8000109.7L32 T37 A38 D60 T65 V66 L68 L71L32-F58 HydrophobicContact CD1-CE2 3.73Å; T37-F58 CarbonylContact O-C 3.53Å; T37-F58 WeakPolarHBondContact O-CA 3.46Å; T37-F58 WeakPolarHBondContact O-CD2 3.41Å; A38-F58 HydrophobicContact CB-CD2 4.19Å; F58-D60 HydrophobicContact CE1-CB 4.12Å; F58-T65 CarbonylContact O-C 3.59Å; F58-T65 VanDerWaalsContact O-CA 3.27Å; F58-T65 WeakPolarHBondContact O-CA 3.45Å; F58-V66 HydrophobicContact CB-CG2 3.88Å; F58-V66 HydrophobicContact CD1-CG2 3.96Å; F58-V66 HydrophobicContact CG-CG2 4.37Å; F58-V66 PolarHBondContact N-O 2.89Å; F58-V66 PolarHBondContact O-N 3.14Å; F58-L68 HydrophobicContact CB-CD1 4.01Å; F58-L71 HydrophobicContact CD2-CD2 4Å
59Q98.7Very high98.1Very high80 Ų8082 Ų8237%0.37439%0.386SS..EExtended strand (participates in β ladder)trans-121.1124.1174.3-169.8178.431.700109.4S36 T37 G63 R64S36-Q59 CarbonylContact C-O 3.57Å; S36-Q59 VanDerWaalsContact CA-O 3.25Å; S36-Q59 WeakPolarHBondContact CA-O 3.47Å; S36-Q59 VanDerWaalsContact CB-O 3.24Å; S36-Q59 WeakPolarHBondContact CB-O 3.44Å; T37-Q59 PolarHBondContact N-O 3.17Å; T37-Q59 PolarHBondContact O-N 2.84Å; Q59-G63 PolarHBondContact NE2-O 3.25Å; Q59-R64 WeakPolarHBondContact CA-O 2.98Å
60D97.7Very high98.1Very high29 Ų2985 Ų8516%0.15540%0.398CS..  trans-75.6170.1174.478.85.5000111.9F58 R62 G63 R64F58-D60 HydrophobicContact CE1-CB 4.12Å; D60-R62 PolarHBondContact O-N 3.24Å; D60-R62 VanDerWaalsContact OD1-C 3.3Å; D60-R62 VanDerWaalsContact OD1-CA 3.27Å; D60-R62 WeakPolarHBondContact OD1-CA 3.46Å; D60-R62 WeakPolarHBondContact OD1-CB 3.21Å; D60-R62 PolarHBondContact OD1-N 3.21Å; D60-G63 PolarHBondContact O-N 3.09Å; D60-G63 PolarHBondContact OD1-N 2.89Å; D60-R64 PolarHBondContact N-O 3.03Å; D60-R64 PolarHBondContact OD1-N 2.83Å; D60-R64 IonicContact OD1-NE 2.79Å; D60-R64 IonicContact OD2-CZ 3.15Å; D60-R64 IonicContact OD2-NE 2.75Å; D60-R64 PolarHBondContact OD2-NE 3.13Å; D60-R64 IonicContact OD2-NH2 2.71Å; D60-R64 PolarHBondContact OD2-NH2 2.71Å
61R96.4Very high98.2Very high153 Ų15385 Ų8558%0.57740%0.398SS*.THydrogen-bonded Turntrans-60.9-14177.873.3-177.774.2166.710.4115D34 E35 G63D34-R61 VanDerWaalsContact CB-NH2 3.33Å; D34-R61 PolarHBondContact O-NE 3.33Å; D34-R61 IonicContact OD2-CZ 3.03Å; D34-R61 IonicContact OD2-NE 2.93Å; D34-R61 IonicContact OD2-NH2 3.93Å; D34-R61 PolarHBondContact OD2-NH2 3.34Å; E35-R61 HydrophobicContact CB-CB 4.14Å; R61-G63 VanDerWaalsContact C-N 3.34Å
62R96.9Very high98.2Very high207 Ų20790.1 Ų90.178%0.78142%0.421SS*.THydrogen-bonded Turntrans-94.23.8176.4-58.9-175.4177.5-147.1-0.2111.7D60 R64D60-R62 PolarHBondContact O-N 3.24Å; D60-R62 VanDerWaalsContact OD1-C 3.3Å; D60-R62 VanDerWaalsContact OD1-CA 3.27Å; D60-R62 WeakPolarHBondContact OD1-CA 3.46Å; D60-R62 WeakPolarHBondContact OD1-CB 3.21Å; D60-R62 PolarHBondContact OD1-N 3.21Å; R62-R64 VanDerWaalsContact C-N 3.33Å
63G95.3Very high98.2Very high37 Ų3783.5 Ų83.538%0.38140%0.396SS..  trans82.53.7-179.600000114.4Q59 D60 R61 T65Q59-G63 PolarHBondContact NE2-O 3.25Å; D60-G63 PolarHBondContact O-N 3.09Å; D60-G63 PolarHBondContact OD1-N 2.89Å; R61-G63 VanDerWaalsContact C-N 3.34Å; G63-T65 PolarHBondContact O-N 3.14Å
64R97.9Very high98.1Very high164 Ų16486.2 Ų86.262%0.61941%0.413SS*.  trans-74.7128.9179.1-62.8-179.2-64.6175.63.1109.8Q59 D60 R62Q59-R64 WeakPolarHBondContact CA-O 2.98Å; D60-R64 PolarHBondContact N-O 3.03Å; D60-R64 PolarHBondContact OD1-N 2.83Å; D60-R64 IonicContact OD1-NE 2.79Å; D60-R64 IonicContact OD2-CZ 3.15Å; D60-R64 IonicContact OD2-NE 2.75Å; D60-R64 PolarHBondContact OD2-NE 3.13Å; D60-R64 IonicContact OD2-NH2 2.71Å; D60-R64 PolarHBondContact OD2-NH2 2.71Å; R62-R64 VanDerWaalsContact C-N 3.33Å
65T98.3Very high98.1Very high75 Ų7584.2 Ų84.246%0.4641%0.405SS..EExtended strand (participates in β ladder)trans-105.2137.1-176.7-55.20000111.6V57 F58 G63V57-T65 HydrophobicContact CG1-CG2 3.37Å; F58-T65 CarbonylContact O-C 3.59Å; F58-T65 VanDerWaalsContact O-CA 3.27Å; F58-T65 WeakPolarHBondContact O-CA 3.45Å; G63-T65 PolarHBondContact O-N 3.14Å
66V98.3Very high98.1Very high71 Ų7189.3 Ų89.343%0.4342%0.416SS..EExtended strand (participates in β ladder)trans-132.8144.6171.9-60.70000110.4F58 L68F58-V66 HydrophobicContact CB-CG2 3.88Å; F58-V66 HydrophobicContact CD1-CG2 3.96Å; F58-V66 HydrophobicContact CG-CG2 4.37Å; F58-V66 PolarHBondContact N-O 2.89Å; F58-V66 PolarHBondContact O-N 3.14Å; V66-L68 HydrophobicContact CG2-CD1 4.43Å; V66-L68 HydrophobicContact CG2-CD2 4.23Å; V66-L68 HydrophobicContact CG2-CG 4.19Å
67H98.6Very high98.1Very high156 Ų15693.1 Ų93.172%0.72244%0.436SS*.EExtended strand (participates in β ladder)trans-94.9129.3172.7-70-84.2000109.8V56V56-H67 CarbonylContact O-C 3.56Å; V56-H67 WeakPolarHBondContact O-CA 3.4Å
68L98.4Very high98.1Very high61 Ų6191.2 Ų91.232%0.31943%0.425SS..EExtended strand (participates in β ladder)trans-125.6135.2-179.9-54.9172.3000108.9V56 F58 V66 Q70 L71V56-L68 HydrophobicContact CB-CB 4.32Å; V56-L68 PolarHBondContact N-O 3.39Å; V56-L68 PolarHBondContact O-N 2.92Å; F58-L68 HydrophobicContact CB-CD1 4.01Å; V66-L68 HydrophobicContact CG2-CD1 4.43Å; V66-L68 HydrophobicContact CG2-CD2 4.23Å; V66-L68 HydrophobicContact CG2-CG 4.19Å; L68-Q70 VanDerWaalsContact C-N 3.31Å; L68-L71 HydrophobicContact CD1-CB 4.46Å; L68-L71 HydrophobicContact CD1-CD1 3.98Å
69Q98.4Very high98Very high172 Ų17296.1 Ų96.180%0.80444%0.442SS*.EExtended strand (participates in β ladder)trans-64.9-39.5174.8-69.4-179.8-7.900111.3E54 D55E54-Q69 VanDerWaalsContact CA-O 3.29Å; E54-Q69 WeakPolarHBondContact CA-O 3.09Å; D55-Q69 PolarHBondContact N-O 3.41Å
70Q98.3Very high98Very high141 Ų14198 Ų9866%0.65945%0.446SS*.EExtended strand (participates in β ladder)trans-141.1146.7177.8-64.2-172-49.800110.6L53 L68L53-Q70 WeakPolarHBondContact O-CA 3.34Å; L68-Q70 VanDerWaalsContact C-N 3.31Å
71L98.6Very high98.1Very high37 Ų3798.1 Ų98.119%0.19445%0.448CS..EExtended strand (participates in β ladder)trans-137.6135.1172-177.566.5000109.9A38 L53 V56 F58 L68 V73A38-L71 HydrophobicContact CB-CD2 3.53Å; L53-L71 HydrophobicContact CB-CB 4.46Å; L53-L71 PolarHBondContact N-O 2.83Å; L53-L71 PolarHBondContact O-N 2.92Å; V56-L71 HydrophobicContact CB-CB 4.31Å; V56-L71 HydrophobicContact CG1-CB 4.22Å; V56-L71 HydrophobicContact CG1-CD2 3.96Å; V56-L71 HydrophobicContact CG2-CB 3.89Å; F58-L71 HydrophobicContact CD2-CD2 4Å; L68-L71 HydrophobicContact CD1-CB 4.46Å; L68-L71 HydrophobicContact CD1-CD1 3.98Å; L71-V73 HydrophobicContact CD2-CG2 3.97Å; L71-V73 HydrophobicContact CG-CG2 4.14Å
72F98.6Very high98.2Very high110 Ų11095 Ų9548%0.48244%0.44SS..EExtended strand (participates in β ladder)trans-109.5118.3170.5179.4-107.1000109.8N50 R52 T74N50-F72 HydrophobicContact CB-CE2 3.71Å; N50-F72 HydrophobicContact CB-CZ 3.61Å; R52-F72 HydrophobicContact CG-CD2 3.67Å; R52-F72 HydrophobicContact CG-CE2 4.22Å; F72-T74 HydrophobicContact CD1-CG2 4.48Å; F72-T74 HydrophobicContact CE1-CG2 4Å
73V98.6Very high98.2Very high7 Ų787.3 Ų87.34%0.04242%0.416CS..EExtended strand (participates in β ladder)trans-103125.9177.3174.10000108.9V30 L32 N50 I51 L71 V78V30-V73 HydrophobicContact CG1-CG1 4.46Å; L32-V73 HydrophobicContact CD2-CB 4.44Å; L32-V73 HydrophobicContact CD2-CG1 3.38Å; L32-V73 HydrophobicContact CD2-CG2 4.22Å; N50-V73 CarbonylContact C-O 3.58Å; N50-V73 WeakPolarHBondContact CA-O 3.48Å; I51-V73 HydrophobicContact CB-CB 4.4Å; I51-V73 PolarHBondContact N-O 2.94Å; I51-V73 PolarHBondContact O-N 3.01Å; L71-V73 HydrophobicContact CD2-CG2 3.97Å; L71-V73 HydrophobicContact CG-CG2 4.14Å; V73-V78 HydrophobicContact CG1-CG2 3.62Å
74T98.4Very high98.3Very high57 Ų5786.7 Ų86.735%0.3541%0.405SS..  trans-74.7137.4172.558.30000110.3N50 F72 R76 N77N50-T74 VanDerWaalsContact OD1-CA 3.29Å; N50-T74 WeakPolarHBondContact OD1-CA 3.4Å; F72-T74 HydrophobicContact CD1-CG2 4.48Å; F72-T74 HydrophobicContact CE1-CG2 4Å; T74-R76 PolarHBondContact O-N 3.39Å; T74-R76 VanDerWaalsContact O-N 3.14Å; T74-N77 PolarHBondContact O-N 3.34Å; T74-N77 PolarHBondContact OG1-ND2 3.39Å; T74-N77 VanDerWaalsContact OG1-ND2 3.14Å
75G97.9Very high98.2Very high4 Ų487.2 Ų87.24%0.04142%0.42CS..G310 helixtrans-60.3-29.6-174.900000113.8F48 M49 N50 N77 V78F48-G75 WeakPolarHBondContact O-CA 3.33Å; M49-G75 VanDerWaalsContact C-CA 3.5Å; M49-G75 WeakPolarHBondContact O-CA 3.35Å; N50-G75 PolarHBondContact OD1-N 3.43Å; G75-N77 PolarHBondContact O-N 3.03Å; G75-V78 PolarHBondContact O-N 3.15Å
76R98.1Very high98Very high217 Ų21792.6 Ų92.682%0.81943%0.432SS*.G310 helixtrans-59.5-31.7173.4-173.6178.6-178.7-1460.6112.4R33 T74R33-R76 WeakPolarHBondContact CD-O 3.1Å; R33-R76 PolarHBondContact NE-O 2.96Å; T74-R76 PolarHBondContact O-N 3.39Å; T74-R76 VanDerWaalsContact O-N 3.14Å
77N98.4Very high98Very high81 Ų8190 Ų9043%0.43342%0.416SS..G310 helixtrans-88.8-6.4-177.1-69.3-13.6000113.2L32 R33 T74 G75L32-N77 CarbonylContact C-O 3.45Å; L32-N77 WeakPolarHBondContact CA-O 3.27Å; L32-N77 HydrophobicContact CD2-CB 4.04Å; L32-N77 WeakPolarHBondContact CD2-O 3.23Å; R33-N77 PolarHBondContact N-O 2.83Å; T74-N77 PolarHBondContact O-N 3.34Å; T74-N77 PolarHBondContact OG1-ND2 3.39Å; T74-N77 VanDerWaalsContact OG1-ND2 3.14Å; G75-N77 PolarHBondContact O-N 3.03Å
78V98.6Very high97.9Very high14 Ų1486.7 Ų86.79%0.08540%0.404CS..EExtended strand (participates in β ladder)trans-74.2134.6177.3-179.70000110.3V30 I51 V73 G75 V81V30-V78 HydrophobicContact CG1-CG1 4.15Å; V30-V78 HydrophobicContact CG1-CG2 4.13Å; I51-V78 HydrophobicContact CD1-CG2 4.13Å; V73-V78 HydrophobicContact CG1-CG2 3.62Å; G75-V78 PolarHBondContact O-N 3.15Å; V78-V81 HydrophobicContact CG1-CG2 3.79Å
79R98.4Very high97.9Very high146 Ų14687.7 Ų87.755%0.55141%0.409SS*.EExtended strand (participates in β ladder)trans-112-51171-171.3-179.2178107.62.2111.6E31 R33E31-R79 WeakPolarHBondContact O-CA 3.49Å; E31-R79 WeakPolarHBondContact O-CB 3.29Å; E31-R79 PolarHBondContact O-N 3.4Å; R33-R79 HydrophobicContact CG-CB 4.23Å
80Y98.6Very high97.9Very high119 Ų11985.4 Ų85.447%0.46740%0.401SS..EExtended strand (participates in β ladder)trans-134.5148.6176.8-54.8-67.3000111.1V30 E31V30-Y80 CarbonylContact C-O 3.55Å; V30-Y80 WeakPolarHBondContact CA-O 3.34Å; E31-Y80 HydrophobicContact CB-CD2 4.08Å; E31-Y80 PolarHBondContact N-O 2.88Å; E31-Y80 PolarHBondContact O-N 3.39Å; E31-Y80 VanDerWaalsContact O-N 3.13Å; E31-Y80 VanDerWaalsContact OE2-CD2 3.26Å; E31-Y80 WeakPolarHBondContact OE2-CD2 3.38Å
81V98.5Very high97.9Very high31 Ų3183.7 Ų83.719%0.18839%0.393CS..EExtended strand (participates in β ladder)trans-124.6121.4166.7-176.50000107.4L20 L23 T28 V30 I51 V78 V83L20-V81 HydrophobicContact CD1-CG2 4.2Å; L20-V81 HydrophobicContact CD2-CB 3.83Å; L20-V81 HydrophobicContact CD2-CG1 3.86Å; L20-V81 HydrophobicContact CD2-CG2 4.04Å; L23-V81 HydrophobicContact CD1-CG1 3.97Å; T28-V81 HydrophobicContact CG2-CG1 4.28Å; V30-V81 HydrophobicContact CG2-CG2 4.48Å; I51-V81 HydrophobicContact CD1-CG2 4.08Å; V78-V81 HydrophobicContact CG1-CG2 3.79Å; V81-V83 PolarHBondContact O-N 3.17Å
82H98.6Very high97.8Very high87 Ų8783 Ų8340%0.40339%0.39SS..  trans-77.9107-178-72.4-120.8000109.8T28 T29 E31 P84T28-H82 PolarHBondContact OG1-O 3.43Å; T29-H82 WeakPolarHBondContact O-CB 3.48Å; T29-H82 PolarHBondContact O-CD2 3.13Å; T29-H82 VanDerWaalsContact O-CD2 3.22Å; T29-H82 PolarHBondContact O-N 3.22Å; E31-H82 IonicContact OE1-CD2 3.46Å; E31-H82 IonicContact OE1-CE1 2.76Å; E31-H82 PolarHBondContact OE1-CE1 3.29Å; E31-H82 IonicContact OE1-NE2 3.99Å; E31-H82 PolarHBondContact OE1-NE2 3.15Å; H82-P84 WeakPolarHBondContact O-CD 3.28Å
83V97.7Very high97.7Very high46 Ų4679.2 Ų79.228%0.27938%0.377SS..  trans-70.3123.1176-178.50000108.6L19 L23 V81 V87 I89L19-V83 HydrophobicContact CD2-CG2 4.44Å; L23-V83 HydrophobicContact CD2-CG1 4.43Å; V81-V83 PolarHBondContact O-N 3.17Å; V83-V87 HydrophobicContact CG1-CB 3.93Å; V83-V87 HydrophobicContact CG1-CG1 4.06Å; V83-I89 HydrophobicContact CG1-CG1 4.16Å
84P97.1Very high97.7Very high25 Ų2584.7 Ų84.716%0.16240%0.402CS..  trans-63.2141.5177.9-19.531.1000111.8H26 H82 R86 V87H26-P84 HydrophobicContact CB-CG 4.13Å; H82-P84 WeakPolarHBondContact O-CD 3.28Å; P84-R86 HydrophobicContact CB-CG 4.34Å; P84-R86 PolarHBondContact O-N 3.09Å; P84-V87 HydrophobicContact CB-CG2 4.12Å; P84-V87 HydrophobicContact CG-CG2 4.17Å; P84-V87 WeakPolarHBondContact O-CB 3.38Å; P84-V87 PolarHBondContact O-N 3.47Å
85D95.6Very high97.6Very high174 Ų17486.4 Ų86.493%0.9341%0.408SS*.THydrogen-bonded Turntrans-55.9-29.3-175.1-56.8-28.8000114.6V87D85-V87 PolarHBondContact O-N 2.97Å
86R94.9Very high97.5Very high189 Ų18988 Ų8871%0.71342%0.415SS*.THydrogen-bonded Turntrans-75.2-6.3178.567.6-176.8-175.5-148.21.6114.2H26 P84H26-R86 PolarHBondContact CD2-NE 2.93Å; P84-R86 HydrophobicContact CB-CG 4.34Å; P84-R86 PolarHBondContact O-N 3.09Å
87V96.7Very high97.3Very high16 Ų1679.9 Ų79.910%0.09739%0.388CS..  trans-94.1111.6-178.2177.30000109L23 V83 P84 D85 I89 T92L23-V87 HydrophobicContact CD2-CB 4.45Å; L23-V87 HydrophobicContact CD2-CG1 3.89Å; L23-V87 HydrophobicContact CD2-CG2 4.11Å; V83-V87 HydrophobicContact CG1-CB 3.93Å; V83-V87 HydrophobicContact CG1-CG1 4.06Å; P84-V87 HydrophobicContact CB-CG2 4.12Å; P84-V87 HydrophobicContact CG-CG2 4.17Å; P84-V87 WeakPolarHBondContact O-CB 3.38Å; P84-V87 PolarHBondContact O-N 3.47Å; D85-V87 PolarHBondContact O-N 2.97Å; V87-I89 PolarHBondContact O-N 3.04Å; V87-T92 HydrophobicContact CG1-CG2 4.44Å; V87-T92 WeakPolarHBondContact CG1-OG1 3.34Å
88D98.1Very high97.1Very high87 Ų8778.2 Ų78.247%0.46539%0.385SS..  trans-71.7114.5165.1-176.2-43.7000109L90 Q91 T92D88-L90 PolarHBondContact OD1-N 3.24Å; D88-Q91 HydrophobicContact CB-CB 3.85Å; D88-Q91 PolarHBondContact OD1-N 3.12Å; D88-T92 WeakPolarHBondContact O-CB 3.38Å; D88-T92 PolarHBondContact O-N 3.25Å; D88-T92 PolarHBondContact O-OG1 3.03Å
89I97.8Very high96.8Very high82 Ų8282.4 Ų82.442%0.42140%0.399SS..Hα-helixtrans-61.9-48.5-176.5-66170.3000111.1L19 V83 V87 T92 V93L19-I89 HydrophobicContact CD1-CB 4.35Å; L19-I89 HydrophobicContact CD1-CG1 4.45Å; L19-I89 HydrophobicContact CD1-CG2 3.94Å; L19-I89 HydrophobicContact CD2-CG2 3.86Å; V83-I89 HydrophobicContact CG1-CG1 4.16Å; V87-I89 PolarHBondContact O-N 3.04Å; I89-T92 PolarHBondContact O-N 3.05Å; I89-V93 WeakPolarHBondContact O-CG2 3.37Å; I89-V93 PolarHBondContact O-N 3.08Å
90L97.9Very high96.4Very high123 Ų12376.4 Ų76.464%0.64438%0.378SS*.Hα-helixtrans-67-46.8-175.5-88.380.5000110.2D88 T92 V93 Q94D88-L90 PolarHBondContact OD1-N 3.24Å; L90-T92 VanDerWaalsContact C-N 3.29Å; L90-T92 PolarHBondContact O-N 3.37Å; L90-V93 PolarHBondContact O-N 3.3Å; L90-Q94 WeakPolarHBondContact O-CB 3.48Å; L90-Q94 VanDerWaalsContact O-CG 3.28Å; L90-Q94 WeakPolarHBondContact O-CG 3.36Å; L90-Q94 PolarHBondContact O-N 3.3Å
91Q98Very high95.9Very high106 Ų10674.6 Ų74.650%0.49537%0.373SS..Hα-helixtrans-61.7-40.7178.7-165.5-171.112.500111.1D88 Q94 N95D88-Q91 HydrophobicContact CB-CB 3.85Å; D88-Q91 PolarHBondContact OD1-N 3.12Å; Q91-Q94 PolarHBondContact O-N 3.28Å; Q91-N95 WeakPolarHBondContact O-CB 3.5Å; Q91-N95 PolarHBondContact O-N 3.2Å; Q91-N95 PolarHBondContact O-ND2 3.42Å
92T97.6Very high95.3Very high21 Ų2181.4 Ų81.413%0.12940%0.396CS..Hα-helixtrans-63.1-46.8178.8-62.20000111.6L19 V87 D88 I89 L90 N95 Q96L19-T92 HydrophobicContact CD1-CG2 4.08Å; V87-T92 HydrophobicContact CG1-CG2 4.44Å; V87-T92 WeakPolarHBondContact CG1-OG1 3.34Å; D88-T92 WeakPolarHBondContact O-CB 3.38Å; D88-T92 PolarHBondContact O-N 3.25Å; D88-T92 PolarHBondContact O-OG1 3.03Å; I89-T92 PolarHBondContact O-N 3.05Å; L90-T92 VanDerWaalsContact C-N 3.29Å; L90-T92 PolarHBondContact O-N 3.37Å; T92-N95 PolarHBondContact O-N 3.11Å; T92-Q96 WeakPolarHBondContact O-CG 3.48Å; T92-Q96 PolarHBondContact O-N 3.48Å; T92-Q96 VanDerWaalsContact O-N 3.15Å
93V97.4Very high94.6Very high32 Ų3280 Ų8019%0.19439%0.393CS..Hα-helixtrans-60.6-48.1175.91710000110.8V18 L19 I89 L90 N95 Q96 L97V18-V93 HydrophobicContact CG1-CB 4.48Å; V18-V93 HydrophobicContact CG1-CG1 3.92Å; V18-V93 HydrophobicContact CG1-CG2 4.15Å; L19-V93 HydrophobicContact CB-CG2 3.96Å; L19-V93 HydrophobicContact CD1-CG2 4.14Å; I89-V93 WeakPolarHBondContact O-CG2 3.37Å; I89-V93 PolarHBondContact O-N 3.08Å; L90-V93 PolarHBondContact O-N 3.3Å; V93-N95 VanDerWaalsContact C-N 3.34Å; V93-N95 PolarHBondContact O-N 3.4Å; V93-Q96 PolarHBondContact O-N 2.87Å; V93-L97 HydrophobicContact CG1-CD1 3.76Å; V93-L97 HydrophobicContact CG1-CG 4.22Å; V93-L97 WeakPolarHBondContact O-CG 3.5Å; V93-L97 PolarHBondContact O-N 3.35Å
94Q97.6Very high93.8Very high122 Ų12282.9 Ų82.957%0.5740%0.399SS*.Hα-helixtrans-58.3-44.7179.2-73.1173.3-6.500112.2L90 Q91 Q96 L97 A98L90-Q94 WeakPolarHBondContact O-CB 3.48Å; L90-Q94 VanDerWaalsContact O-CG 3.28Å; L90-Q94 WeakPolarHBondContact O-CG 3.36Å; L90-Q94 PolarHBondContact O-N 3.3Å; Q91-Q94 PolarHBondContact O-N 3.28Å; Q94-Q96 VanDerWaalsContact C-N 3.34Å; Q94-Q96 PolarHBondContact O-N 3.44Å; Q94-L97 PolarHBondContact O-N 3.47Å; Q94-A98 WeakPolarHBondContact O-CB 3.18Å; Q94-A98 PolarHBondContact O-N 3.49Å
95N96.6Very high92.9Very high92 Ų9285.7 Ų85.749%0.49241%0.413SS..Hα-helixtrans-61.2-41.4178.9-75.2-22.7000112.6Q91 T92 V93 R99Q91-N95 WeakPolarHBondContact O-CB 3.5Å; Q91-N95 PolarHBondContact O-N 3.2Å; Q91-N95 PolarHBondContact O-ND2 3.42Å; T92-N95 PolarHBondContact O-N 3.11Å; V93-N95 VanDerWaalsContact C-N 3.34Å; V93-N95 PolarHBondContact O-N 3.4Å; N95-R99 PolarHBondContact O-N 2.76Å; N95-R99 VanDerWaalsContact O-N 3.17Å
96Q95.3Very high91.8Very high38 Ų3884 Ų8418%0.17840%0.397CS..Hα-helixtrans-71.1-42.6178.6-68.8-60.1-3400112V18 T92 V93 Q94 A98 R99 I100V18-Q96 HydrophobicContact CG2-CB 3.26Å; V18-Q96 HydrophobicContact CG2-CG 4.15Å; T92-Q96 WeakPolarHBondContact O-CG 3.48Å; T92-Q96 PolarHBondContact O-N 3.48Å; T92-Q96 VanDerWaalsContact O-N 3.15Å; V93-Q96 PolarHBondContact O-N 2.87Å; Q94-Q96 VanDerWaalsContact C-N 3.34Å; Q94-Q96 PolarHBondContact O-N 3.44Å; Q96-A98 PolarHBondContact O-N 3.29Å; Q96-R99 WeakPolarHBondContact O-CB 3.2Å; Q96-R99 PolarHBondContact O-N 3.39Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; Q96-I100 WeakPolarHBondContact O-CG1 3.38Å; Q96-I100 PolarHBondContact O-N 2.91Å
97L94.7Very high90.4Very high47 Ų4779.1 Ų79.125%0.24640%0.397CS..Hα-helixtrans-60.3-44.7174.8-68.3175.2000111.6E13 V18 V93 Q94 R99 I100 H101E13-L97 HydrophobicContact CB-CD2 4.35Å; E13-L97 HydrophobicContact CG-CD2 3.83Å; V18-L97 HydrophobicContact CG2-CD2 4.34Å; V18-L97 HydrophobicContact CG2-CG 4.48Å; V93-L97 HydrophobicContact CG1-CD1 3.76Å; V93-L97 HydrophobicContact CG1-CG 4.22Å; V93-L97 WeakPolarHBondContact O-CG 3.5Å; V93-L97 PolarHBondContact O-N 3.35Å; Q94-L97 PolarHBondContact O-N 3.47Å; L97-R99 VanDerWaalsContact C-N 3.25Å; L97-R99 PolarHBondContact O-N 3.19Å; L97-I100 PolarHBondContact O-N 2.95Å; L97-I100 VanDerWaalsContact O-N 3.09Å; L97-H101 PolarHBondContact O-N 2.87Å
98A94.4Very high88.7Confident45 Ų4582.2 Ų82.237%0.37242%0.42SS..Hα-helixtrans-60.6-34.3175.900000112.6Q94 Q96 R102Q94-A98 WeakPolarHBondContact O-CB 3.18Å; Q94-A98 PolarHBondContact O-N 3.49Å; Q96-A98 PolarHBondContact O-N 3.29Å; A98-R102 WeakPolarHBondContact O-CG 3.35Å; A98-R102 PolarHBondContact O-N 3.49Å; A98-R102 VanDerWaalsContact O-N 3.13Å; A98-R102 PolarHBondContact O-NE 3.26Å
99R91.1Very high86.9Confident103 Ų10385.4 Ų85.439%0.38943%0.432SS..Hα-helixtrans-67.5-42.3173.9-174.1173138177.1-12.6111.6N95 Q96 L97 R102 V103N95-R99 PolarHBondContact O-N 2.76Å; N95-R99 VanDerWaalsContact O-N 3.17Å; Q96-R99 WeakPolarHBondContact O-CB 3.2Å; Q96-R99 PolarHBondContact O-N 3.39Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; L97-R99 VanDerWaalsContact C-N 3.25Å; L97-R99 PolarHBondContact O-N 3.19Å; R99-R102 PolarHBondContact O-N 3.31Å; R99-V103 WeakPolarHBondContact O-CG2 3.12Å; R99-V103 PolarHBondContact O-N 3.43Å
100I89.6Confident85Confident20 Ų2083.7 Ų83.710%0.10343%0.434CS..Hα-helixtrans-62.9-45.1176.3-65.4169.5000110.9R9 A12 E13 Q96 L97 R102 V103 R104R9-I100 HydrophobicContact CB-CG2 4.48Å; A12-I100 HydrophobicContact CB-CD1 4.37Å; E13-I100 HydrophobicContact CB-CD1 4.29Å; E13-I100 HydrophobicContact CB-CG2 4.49Å; Q96-I100 WeakPolarHBondContact O-CG1 3.38Å; Q96-I100 PolarHBondContact O-N 2.91Å; L97-I100 PolarHBondContact O-N 2.95Å; L97-I100 VanDerWaalsContact O-N 3.09Å; I100-R102 PolarHBondContact O-N 3.14Å; I100-V103 PolarHBondContact O-N 3.2Å; I100-R104 PolarHBondContact O-N 3.03Å; I100-R104 VanDerWaalsContact O-N 3.08Å
101H88.5Confident83.1Confident80 Ų8079.5 Ų79.537%0.3742%0.42SS..Hα-helixtrans-61.3-43178.8-69167.6000112.9E13 L97 V103 R104 N105E13-H101 IonicContact OE1-CD2 3.61Å; E13-H101 PolarHBondContact OE1-CD2 3.03Å; E13-H101 VanDerWaalsContact OE1-CD2 3.31Å; E13-H101 IonicContact OE1-NE2 3.8Å; E13-H101 PolarHBondContact OE1-NE2 2.79Å; L97-H101 PolarHBondContact O-N 2.87Å; H101-V103 PolarHBondContact O-N 3.03Å; H101-R104 PolarHBondContact O-N 2.93Å; H101-N105 PolarHBondContact O-N 3.16Å; H101-N105 PolarHBondContact O-ND2 3.23Å
102R87Confident81.5Confident175 Ų17577 Ų7766%0.6642%0.423SS*.Hα-helixtrans-59.2-44.9176.1-76.9-175.4-69.7-178.2-0.4112.4A98 R99 I100 R104 N105 F106A98-R102 WeakPolarHBondContact O-CG 3.35Å; A98-R102 PolarHBondContact O-N 3.49Å; A98-R102 VanDerWaalsContact O-N 3.13Å; A98-R102 PolarHBondContact O-NE 3.26Å; R99-R102 PolarHBondContact O-N 3.31Å; I100-R102 PolarHBondContact O-N 3.14Å; R102-R104 VanDerWaalsContact C-N 3.35Å; R102-R104 PolarHBondContact O-N 3.44Å; R102-N105 PolarHBondContact O-N 2.97Å; R102-F106 WeakPolarHBondContact O-CB 3.38Å; R102-F106 PolarHBondContact O-N 3.05Å
103V83.6Confident79.7Confident58 Ų5886.1 Ų86.135%0.35246%0.455SS..Hα-helixtrans-65-39.3179.6174.70000111.4R99 I100 H101R99-V103 WeakPolarHBondContact O-CG2 3.12Å; R99-V103 PolarHBondContact O-N 3.43Å; I100-V103 PolarHBondContact O-N 3.2Å; H101-V103 PolarHBondContact O-N 3.03Å
104R80.8Confident77.8Confident106 Ų10695.4 Ų95.440%0.449%0.487SS..Hα-helixtrans-62.1-46.5175.7178.8-177.8-72.2140.42.6111.8E13 I100 H101 R102 A107E13-R104 IonicContact OE1-CZ 2.92Å; E13-R104 IonicContact OE1-NH1 3.98Å; E13-R104 PolarHBondContact OE1-NH1 2.61Å; E13-R104 IonicContact OE1-NH2 3.96Å; E13-R104 IonicContact OE2-CZ 2.66Å; E13-R104 VanDerWaalsContact OE2-CZ 3.25Å; E13-R104 IonicContact OE2-NH1 3.86Å; E13-R104 PolarHBondContact OE2-NH1 3.44Å; E13-R104 IonicContact OE2-NH2 2.61Å; E13-R104 PolarHBondContact OE2-NH2 3.04Å; I100-R104 PolarHBondContact O-N 3.03Å; I100-R104 VanDerWaalsContact O-N 3.08Å; H101-R104 PolarHBondContact O-N 2.93Å; R102-R104 VanDerWaalsContact C-N 3.35Å; R102-R104 PolarHBondContact O-N 3.44Å; R104-A107 PolarHBondContact O-N 3.48Å
105N78.6Confident76.1Confident84 Ų8495.1 Ų95.145%0.44949%0.485SS..Hα-helixtrans-74.3-27-174.9-66.6-17.2000113.2H101 R102 A107 S108 H109H101-N105 PolarHBondContact O-N 3.16Å; H101-N105 PolarHBondContact O-ND2 3.23Å; R102-N105 PolarHBondContact O-N 2.97Å; N105-A107 VanDerWaalsContact C-N 3.28Å; N105-A107 PolarHBondContact O-N 3.44Å; N105-S108 WeakPolarHBondContact CA-OG 3.44Å; N105-S108 PolarHBondContact O-N 2.86Å; N105-S108 PolarHBondContact O-OG 3.47Å; N105-H109 PolarHBondContact O-N 2.71Å; N105-H109 PolarHBondContact O-ND1 3Å; N105-H109 VanDerWaalsContact O-ND1 3.14Å
106F71.5Confident74.2Confident138 Ų13899.9 Ų99.961%0.60550%0.502SS*.Hα-helixtrans-62.4-36.3174.8-169.2-94.6000112.4R102 G111R102-F106 WeakPolarHBondContact O-CB 3.38Å; R102-F106 PolarHBondContact O-N 3.05Å; F106-G111 WeakPolarHBondContact CE1-O 3.36Å; F106-G111 WeakPolarHBondContact CZ-O 3.36Å
107A64.9Low72Confident86 Ų86104.2 Ų104.271%0.71154%0.535SS*.Hα-helixtrans-71.9-29.217700000113.1R104 N105R104-A107 PolarHBondContact O-N 3.48Å; N105-A107 VanDerWaalsContact C-N 3.28Å; N105-A107 PolarHBondContact O-N 3.44Å
108S62.7Low69.7Low82 Ų82117.4 Ų117.457%0.57358%0.582SS**Hα-helixtrans-85.5-28.1-177.257.20000114.2N105N105-S108 WeakPolarHBondContact CA-OG 3.44Å; N105-S108 PolarHBondContact O-N 2.86Å; N105-S108 PolarHBondContact O-OG 3.47Å
109H59.5Low68.5Low154 Ų154121.1 Ų121.171%0.71359%0.592SS**THydrogen-bonded Turntrans-95.919.6-174.7-70.473.8000114.6N105 G111N105-H109 PolarHBondContact O-N 2.71Å; N105-H109 PolarHBondContact O-ND1 3Å; N105-H109 VanDerWaalsContact O-ND1 3.14Å; H109-G111 VanDerWaalsContact C-N 3.35Å; H109-G111 PolarHBondContact O-N 3.5Å
110G58.4Low67.3Low46 Ų46122 Ų12247%0.47460%0.603SS.*THydrogen-bonded Turntrans6731.6175.500000114.3G112G110-G112 PolarHBondContact O-N 3.26Å; G110-G112 VanDerWaalsContact O-N 3.11Å
111G57.9Low66Low34 Ų34127.7 Ų127.735%0.35163%0.631SS.*  trans-728.3-178.500000115.7F106 H109F106-G111 WeakPolarHBondContact CE1-O 3.36Å; F106-G111 WeakPolarHBondContact CZ-O 3.36Å; H109-G111 VanDerWaalsContact C-N 3.35Å; H109-G111 PolarHBondContact O-N 3.5Å
112G63.6Low64.7Low54 Ų54130.5 Ų130.556%0.55765%0.646SS**SBendtrans-70.5139.1172.100000111.3G110 R114G110-G112 PolarHBondContact O-N 3.26Å; G110-G112 VanDerWaalsContact O-N 3.11Å; G112-R114 PolarHBondContact O-N 3.03Å
113R59.6Low63.3Low212 Ų212127.7 Ų127.780%0.865%0.645SS**  trans-47.6108.9168.5-91.7-172.5144.3162.7-2.7110.3E115R113-E115 HydrophobicContact CB-CG 3.57Å; R113-E115 WeakPolarHBondContact CD-OE1 3.44Å; R113-E115 HydrophobicContact CG-CG 4.05Å; R113-E115 WeakPolarHBondContact CG-OE1 3.41Å; R113-E115 IonicContact CZ-OE1 3.25Å; R113-E115 IonicContact NE-OE1 3.9Å; R113-E115 PolarHBondContact NE-OE1 3.33Å; R113-E115 IonicContact NE-OE2 3.31Å; R113-E115 IonicContact NH2-OE1 3.95Å; R113-E115 PolarHBondContact O-N 2.8Å
114R58.6Low62Low228 Ų228132.3 Ų132.386%0.8667%0.665SS**  trans-77.329.1-179.3-57.4-173-170.6-176.23.2113.4G112G112-R114 PolarHBondContact O-N 3.03Å
115E61.4Low60.6Low115 Ų115134.2 Ų134.254%0.53768%0.683SS.*  trans-91.81.6-164.812.2-160.4138.300114R113R113-E115 HydrophobicContact CB-CG 3.57Å; R113-E115 WeakPolarHBondContact CD-OE1 3.44Å; R113-E115 HydrophobicContact CG-CG 4.05Å; R113-E115 WeakPolarHBondContact CG-OE1 3.41Å; R113-E115 IonicContact CZ-OE1 3.25Å; R113-E115 IonicContact NE-OE1 3.9Å; R113-E115 PolarHBondContact NE-OE1 3.33Å; R113-E115 IonicContact NE-OE2 3.31Å; R113-E115 IonicContact NH2-OE1 3.95Å; R113-E115 PolarHBondContact O-N 2.8Å
116F57Low59.2Low193 Ų193138.1 Ų138.185%0.84670%0.701SS**  trans-130.864.5175.6-60-79000111.9
117C48.7Very low58.2Low128 Ų128138.1 Ų138.187%0.86571%0.71SS**  trans-121.496.1151.5-81.70000107.4
118R46.4Very low57.6Low325 Ų325142.8 Ų142.8100%1.22671%0.709SS**  trans-126.60156.4-87.6-169.2177-176.90.2107.4

Retrieved 118 of 118 residues in 70 ms (Link to these results)

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