A0A671U7N6_SPAAU Loading...

Serine/threonine-protein phosphatase

Protein phosphatase that regulates many processes such as microtubule organization at centrosomes.

AlphaFold DB , UniProt , Accession A0A671U7N6, Species SPAAU (Sparus aurata, Gilthead sea bream), Gene PPP4C, Length 311 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.8Very low66.1Low232 Ų23293.1 Ų93.1100%1.14354%0.541SS*.  0140.40-79.2178.9171.700108.3V3M1-V3 PolarHBondContact O-N 3.44Å
2C44.5Very low68.7Low128 Ų12889.9 Ų89.987%0.86552%0.52SS*.PPolyproline II helixtrans-73.5124.3-179.6-73.90000111T4C2-T4 PolarHBondContact O-N 3.48Å
3V54.5Low71Confident75 Ų7590.3 Ų90.346%0.45551%0.508SS..PPolyproline II helixtrans-59.6128.8166.7-1720000108.2M1 D7 I8M1-V3 PolarHBondContact O-N 3.44Å; V3-D7 HydrophobicContact CG1-CB 3.47Å; V3-D7 VanDerWaalsContact CG1-CB 3.47Å; V3-I8 HydrophobicContact CB-CG1 4.15Å; V3-I8 HydrophobicContact CG1-CD1 4.43Å; V3-I8 HydrophobicContact CG1-CG1 3.58Å
4T58.1Low72.9Confident80 Ų8085.1 Ų85.149%0.49148%0.477SS..PPolyproline II helixtrans-73.3156.6-179.972.80000110.9C2 G6 D7 I8C2-T4 PolarHBondContact O-N 3.48Å; T4-G6 PolarHBondContact O-N 3.3Å; T4-D7 WeakPolarHBondContact O-CB 3.47Å; T4-D7 PolarHBondContact O-N 3.07Å; T4-D7 VanDerWaalsContact OG1-CG 3.31Å; T4-D7 PolarHBondContact OG1-N 3.47Å; T4-D7 PolarHBondContact OG1-OD2 2.65Å; T4-I8 WeakPolarHBondContact O-CG1 3.37Å; T4-I8 PolarHBondContact O-N 3.06Å; T4-I8 VanDerWaalsContact O-N 3.07Å
5M59.5Low74.6Confident177 Ų17779.9 Ų79.987%0.87245%0.448SS*.Hα-helixtrans-56.7-33.5176.9-85-174.4-122.400113.2I8 S9M5-I8 PolarHBondContact O-N 3.15Å; M5-S9 PolarHBondContact O-N 2.94Å
6G62Low76.1Confident46 Ų4681.3 Ų81.347%0.47445%0.449SS..Hα-helixtrans-67.3-41.1175.300000112.5T4 I8 S9 D10T4-G6 PolarHBondContact O-N 3.3Å; G6-I8 VanDerWaalsContact C-N 3.32Å; G6-I8 PolarHBondContact O-N 2.77Å; G6-S9 PolarHBondContact O-N 3.34Å; G6-D10 PolarHBondContact O-N 3.19Å
7D67.8Low77.4Confident56 Ų5678.5 Ų78.530%0.29943%0.432SS..Hα-helixtrans-63.4-35.7175.4-77.3-61.1000113.2V3 T4 L11 K35V3-D7 HydrophobicContact CG1-CB 3.47Å; V3-D7 VanDerWaalsContact CG1-CB 3.47Å; T4-D7 WeakPolarHBondContact O-CB 3.47Å; T4-D7 PolarHBondContact O-N 3.07Å; T4-D7 VanDerWaalsContact OG1-CG 3.31Å; T4-D7 PolarHBondContact OG1-N 3.47Å; T4-D7 PolarHBondContact OG1-OD2 2.65Å; D7-L11 WeakPolarHBondContact O-CB 3.01Å; D7-L11 PolarHBondContact O-N 3.44Å; D7-K35 IonicContact OD1-NZ 2.87Å; D7-K35 PolarHBondContact OD1-NZ 3Å
8I73.3Confident78.6Confident58 Ų5874.1 Ų74.130%0.29741%0.408SS..Hα-helixtrans-68.3-44.8177.5-63.8172000110V3 T4 M5 G6 D10 L11 D12V3-I8 HydrophobicContact CB-CG1 4.15Å; V3-I8 HydrophobicContact CG1-CD1 4.43Å; V3-I8 HydrophobicContact CG1-CG1 3.58Å; T4-I8 WeakPolarHBondContact O-CG1 3.37Å; T4-I8 PolarHBondContact O-N 3.06Å; T4-I8 VanDerWaalsContact O-N 3.07Å; M5-I8 PolarHBondContact O-N 3.15Å; G6-I8 VanDerWaalsContact C-N 3.32Å; G6-I8 PolarHBondContact O-N 2.77Å; I8-D10 VanDerWaalsContact C-N 3.29Å; I8-D10 PolarHBondContact O-N 3.35Å; I8-L11 PolarHBondContact O-N 3.19Å; I8-D12 PolarHBondContact O-N 3.21Å
9S78.3Confident79.5Confident80 Ų8072.6 Ų72.656%0.55940%0.396SS*.Hα-helixtrans-61-36.5179-174.70000112.9M5 G6 R13M5-S9 PolarHBondContact O-N 2.94Å; G6-S9 PolarHBondContact O-N 3.34Å; S9-R13 PolarHBondContact O-N 2.87Å
10D90.3Very high80.4Confident85 Ų8575.3 Ų75.346%0.45540%0.4SS..Hα-helixtrans-72.8-38.2176.8-83.4-30.9000112.4G6 I8 R13 Q14G6-D10 PolarHBondContact O-N 3.19Å; I8-D10 VanDerWaalsContact C-N 3.29Å; I8-D10 PolarHBondContact O-N 3.35Å; D10-R13 PolarHBondContact O-N 2.95Å; D10-Q14 VanDerWaalsContact O-CG 3.26Å; D10-Q14 WeakPolarHBondContact O-CG 3.47Å; D10-Q14 PolarHBondContact O-N 3.43Å
11L95.6Very high81.2Confident7 Ų772.6 Ų72.64%0.03739%0.387CS..Hα-helixtrans-68.6-42.9178.8-17659.1000111.9D7 I8 R13 Q14 I15 L32 A103 V106 R107D7-L11 WeakPolarHBondContact O-CB 3.01Å; D7-L11 PolarHBondContact O-N 3.44Å; I8-L11 PolarHBondContact O-N 3.19Å; L11-R13 VanDerWaalsContact C-N 3.3Å; L11-R13 PolarHBondContact O-N 2.58Å; L11-Q14 WeakPolarHBondContact O-CB 3.28Å; L11-Q14 PolarHBondContact O-N 2.93Å; L11-Q14 VanDerWaalsContact O-N 3.13Å; L11-I15 HydrophobicContact CG-CD1 4.2Å; L11-I15 WeakPolarHBondContact O-CG1 3.21Å; L11-I15 PolarHBondContact O-N 3.47Å; L11-L32 HydrophobicContact CD1-CD1 4.01Å; L11-A103 HydrophobicContact CD1-CB 4.16Å; L11-V106 HydrophobicContact CD2-CB 4.22Å; L11-V106 HydrophobicContact CD2-CG1 3.71Å; L11-R107 HydrophobicContact CD2-CB 3.68Å; L11-R107 HydrophobicContact CD2-CG 4.36Å; L11-R107 HydrophobicContact CG-CB 4.19Å
12D97.1Very high83.7Confident55 Ų5565.5 Ų65.529%0.29435%0.351SS..Hα-helixtrans-61.1-41.1176-69.9-20.8000110.7I8 Q14 I15 E16 R107I8-D12 PolarHBondContact O-N 3.21Å; D12-Q14 PolarHBondContact O-N 3.1Å; D12-I15 PolarHBondContact O-N 3.2Å; D12-E16 WeakPolarHBondContact O-CG 3.3Å; D12-E16 PolarHBondContact O-N 3.1Å; D12-R107 WeakPolarHBondContact OD1-CD 3.41Å; D12-R107 IonicContact OD1-CZ 3.76Å; D12-R107 IonicContact OD1-NE 2.77Å; D12-R107 PolarHBondContact OD1-NE 2.74Å; D12-R107 IonicContact OD1-NH2 3.89Å; D12-R107 IonicContact OD2-NE 3.89Å
13R97.8Very high86.2Confident95 Ų9562 Ų6236%0.35832%0.324SS..Hα-helixtrans-61.8-42.8173.2-176.5-163.761.276.31.6112.3S9 D10 L11 E16 Q17 E28S9-R13 PolarHBondContact O-N 2.87Å; D10-R13 PolarHBondContact O-N 2.95Å; L11-R13 VanDerWaalsContact C-N 3.3Å; L11-R13 PolarHBondContact O-N 2.58Å; R13-E16 PolarHBondContact O-N 3.15Å; R13-Q17 WeakPolarHBondContact O-CB 3.26Å; R13-Q17 PolarHBondContact O-N 3.02Å; R13-E28 IonicContact CZ-OE1 3.3Å; R13-E28 IonicContact NH1-OE1 3.9Å; R13-E28 IonicContact NH2-OE1 2.99Å; R13-E28 PolarHBondContact NH2-OE1 2.99Å; R13-E28 IonicContact NH2-OE2 2.71Å
14Q98.3Very high88.3Confident17 Ų1758.6 Ų58.68%0.07930%0.303CS..Hα-helixtrans-63.2-42.3177.3-73.6168.111.300111.4D10 L11 D12 Q17 L18 I24D10-Q14 VanDerWaalsContact O-CG 3.26Å; D10-Q14 WeakPolarHBondContact O-CG 3.47Å; D10-Q14 PolarHBondContact O-N 3.43Å; L11-Q14 WeakPolarHBondContact O-CB 3.28Å; L11-Q14 PolarHBondContact O-N 2.93Å; L11-Q14 VanDerWaalsContact O-N 3.13Å; D12-Q14 PolarHBondContact O-N 3.1Å; Q14-Q17 PolarHBondContact O-N 2.79Å; Q14-L18 WeakPolarHBondContact O-CB 3.18Å; Q14-L18 VanDerWaalsContact O-CG 3.29Å; Q14-L18 WeakPolarHBondContact O-CG 3.29Å; Q14-L18 PolarHBondContact O-N 3.37Å; Q14-I24 HydrophobicContact CB-CG2 4.01Å; Q14-I24 HydrophobicContact CG-CG2 3.96Å
15I98.5Very high90.2Very high8 Ų861.4 Ų61.44%0.04131%0.308CS..Hα-helixtrans-59.8-49.7175.1-70.5165.8000110.2L11 D12 Q17 L18 R19 L100 A103 L104 R107L11-I15 HydrophobicContact CG-CD1 4.2Å; L11-I15 WeakPolarHBondContact O-CG1 3.21Å; L11-I15 PolarHBondContact O-N 3.47Å; D12-I15 PolarHBondContact O-N 3.2Å; I15-Q17 VanDerWaalsContact C-N 3.29Å; I15-Q17 PolarHBondContact O-N 2.81Å; I15-L18 PolarHBondContact O-N 3.4Å; I15-R19 HydrophobicContact CG2-CG 4.37Å; I15-R19 WeakPolarHBondContact O-CG 3.37Å; I15-R19 PolarHBondContact O-N 2.91Å; I15-L100 HydrophobicContact CG2-CD1 4.28Å; I15-A103 HydrophobicContact CD1-CB 4.43Å; I15-A103 HydrophobicContact CG1-CB 3.66Å; I15-L104 HydrophobicContact CD1-CD2 4.32Å; I15-L104 HydrophobicContact CG2-CD2 4.11Å; I15-R107 HydrophobicContact CD1-CB 3.62Å; I15-R107 HydrophobicContact CD1-CG 3.77Å
16E98.1Very high92.1Very high101 Ų10156.2 Ų56.247%0.47228%0.282SS..Hα-helixtrans-60.8-38.5178.6-74.5-53.9121.900112.7D12 R13 R20D12-E16 WeakPolarHBondContact O-CG 3.3Å; D12-E16 PolarHBondContact O-N 3.1Å; R13-E16 PolarHBondContact O-N 3.15Å; E16-R20 PolarHBondContact O-N 2.8Å; E16-R20 PolarHBondContact O-NH1 3.08Å
17Q98.3Very high93.8Very high34 Ų3459.1 Ų59.116%0.15929%0.286CS..Hα-helixtrans-63.7-48.3174-175.2172.3-13.100111.6R13 Q14 I15 R19 R20 E22 L23 I24R13-Q17 WeakPolarHBondContact O-CB 3.26Å; R13-Q17 PolarHBondContact O-N 3.02Å; Q14-Q17 PolarHBondContact O-N 2.79Å; I15-Q17 VanDerWaalsContact C-N 3.29Å; I15-Q17 PolarHBondContact O-N 2.81Å; Q17-R19 PolarHBondContact O-N 2.85Å; Q17-R20 WeakPolarHBondContact O-CB 3.4Å; Q17-R20 PolarHBondContact O-N 2.96Å; Q17-R20 VanDerWaalsContact O-N 3.11Å; Q17-E22 HydrophobicContact CG-CB 3.6Å; Q17-E22 WeakPolarHBondContact O-CB 3.38Å; Q17-E22 PolarHBondContact O-N 2.82Å; Q17-E22 VanDerWaalsContact O-N 3.13Å; Q17-L23 PolarHBondContact NE2-O 3.18Å; Q17-I24 HydrophobicContact CB-CG2 4.49Å; Q17-I24 HydrophobicContact CG-CG2 4.37Å
18L98.4Very high95.3Very high0 Ų057.7 Ų57.70%028%0.278CS..Hα-helixtrans-63.4-38.1177.9-71.8163.8000111.9Q14 I15 R20 C21 I24 F63 L99 L100 A103Q14-L18 WeakPolarHBondContact O-CB 3.18Å; Q14-L18 VanDerWaalsContact O-CG 3.29Å; Q14-L18 WeakPolarHBondContact O-CG 3.29Å; Q14-L18 PolarHBondContact O-N 3.37Å; I15-L18 PolarHBondContact O-N 3.4Å; L18-R20 PolarHBondContact O-N 2.96Å; L18-C21 WeakPolarHBondContact O-CA 3.12Å; L18-C21 PolarHBondContact O-N 3.17Å; L18-I24 HydrophobicContact CD1-CD1 4.42Å; L18-I24 HydrophobicContact CD1-CG2 4.35Å; L18-I24 HydrophobicContact CD2-CG2 4.38Å; L18-I24 HydrophobicContact CG-CG2 4.05Å; L18-F63 WeakPolarHBondContact O-CZ 3.39Å; L18-L99 HydrophobicContact CD1-CB 4.01Å; L18-L99 HydrophobicContact CD2-CB 3.85Å; L18-L99 HydrophobicContact CD2-CD1 4.45Å; L18-L100 HydrophobicContact CB-CB 4.17Å; L18-L100 HydrophobicContact CB-CD1 4.06Å; L18-A103 HydrophobicContact CD1-CB 4.11Å
19R97.4Very high96.5Very high45 Ų4554.9 Ų54.917%0.1726%0.264CS..Hα-helixtrans-60.3-25174.4-76.3-173.1-176.8-86-6113.7I15 Q17 C21 K67 D75 L100I15-R19 HydrophobicContact CG2-CG 4.37Å; I15-R19 WeakPolarHBondContact O-CG 3.37Å; I15-R19 PolarHBondContact O-N 2.91Å; Q17-R19 PolarHBondContact O-N 2.85Å; R19-C21 VanDerWaalsContact C-N 3.26Å; R19-K67 PolarHBondContact O-NZ 3.11Å; R19-K67 VanDerWaalsContact O-NZ 3.11Å; R19-D75 IonicContact CZ-OD1 3.84Å; R19-D75 VanDerWaalsContact CZ-OD1 3.26Å; R19-D75 IonicContact CZ-OD2 2.79Å; R19-D75 VanDerWaalsContact CZ-OD2 3.29Å; R19-D75 VanDerWaalsContact NH1-CG 3.34Å; R19-D75 IonicContact NH1-OD1 3.66Å; R19-D75 PolarHBondContact NH1-OD1 3.13Å; R19-D75 IonicContact NH1-OD2 3Å; R19-D75 PolarHBondContact NH1-OD2 3.06Å; R19-D75 IonicContact NH2-OD1 2.77Å; R19-D75 PolarHBondContact NH2-OD1 3.17Å; R19-D75 IonicContact NH2-OD2 3.99Å; R19-D75 PolarHBondContact NH2-OD2 3.47Å; R19-L100 HydrophobicContact CG-CD1 3.91Å; R19-L100 HydrophobicContact CG-CD2 4.41Å
20R96.8Very high97.4Very high126 Ų12656.7 Ų56.748%0.47526%0.261SS..THydrogen-bonded Turntrans-85.26.7171.5-65.2-169.9-56.8-83-2.9113.6E16 Q17 L18 E22E16-R20 PolarHBondContact O-N 2.8Å; E16-R20 PolarHBondContact O-NH1 3.08Å; Q17-R20 WeakPolarHBondContact O-CB 3.4Å; Q17-R20 PolarHBondContact O-N 2.96Å; Q17-R20 VanDerWaalsContact O-N 3.11Å; L18-R20 PolarHBondContact O-N 2.96Å; R20-E22 HydrophobicContact CB-CG 4.02Å; R20-E22 IonicContact CZ-OE2 2.95Å; R20-E22 IonicContact NE-OE1 3.86Å; R20-E22 PolarHBondContact NE-OE1 3.26Å; R20-E22 IonicContact NE-OE2 3.29Å; R20-E22 PolarHBondContact NE-OE2 2.81Å; R20-E22 VanDerWaalsContact NE-OE2 3.16Å; R20-E22 IonicContact NH2-OE2 2.81Å; R20-E22 PolarHBondContact NH2-OE2 2.81Å; R20-E22 PolarHBondContact O-N 2.91Å
21C96.8Very high97.8Very high19 Ų1954.9 Ų54.913%0.12826%0.258CS..THydrogen-bonded Turntrans61.330.2-173.1-159.70000112.5L18 R19 F63 Y93L18-C21 WeakPolarHBondContact O-CA 3.12Å; L18-C21 PolarHBondContact O-N 3.17Å; R19-C21 VanDerWaalsContact C-N 3.26Å; C21-F63 HydrophobicContact CB-CD1 3.77Å; C21-F63 HydrophobicContact CB-CE1 3.47Å; C21-F63 VanDerWaalsContact CB-CE1 3.47Å; C21-F63 HydrophobicContact CB-CZ 4.21Å; C21-Y93 VanDerWaalsContact SG-CD1 3.55Å
22E96.9Very high98Very high83 Ų8354.7 Ų54.739%0.38826%0.257SS..PPolyproline II helixtrans-101.6135179.1-64.7164.3-169.600110.3Q17 R20Q17-E22 HydrophobicContact CG-CB 3.6Å; Q17-E22 WeakPolarHBondContact O-CB 3.38Å; Q17-E22 PolarHBondContact O-N 2.82Å; Q17-E22 VanDerWaalsContact O-N 3.13Å; R20-E22 HydrophobicContact CB-CG 4.02Å; R20-E22 IonicContact CZ-OE2 2.95Å; R20-E22 IonicContact NE-OE1 3.86Å; R20-E22 PolarHBondContact NE-OE1 3.26Å; R20-E22 IonicContact NE-OE2 3.29Å; R20-E22 PolarHBondContact NE-OE2 2.81Å; R20-E22 VanDerWaalsContact NE-OE2 3.16Å; R20-E22 IonicContact NH2-OE2 2.81Å; R20-E22 PolarHBondContact NH2-OE2 2.81Å; R20-E22 PolarHBondContact O-N 2.91Å
23L97Very high98Very high56 Ų5652.4 Ų52.429%0.29325%0.245SC..PPolyproline II helixtrans-72.3133.2-179.2-60.5173.4000111.7Q17 V95 E96 K137 Y138Q17-L23 PolarHBondContact NE2-O 3.18Å; L23-V95 HydrophobicContact CD2-CG1 4.1Å; L23-E96 HydrophobicContact CD2-CG 3.99Å; L23-E96 WeakPolarHBondContact CD2-OE1 3.39Å; L23-K137 HydrophobicContact CD1-CB 3.73Å; L23-K137 HydrophobicContact CD1-CD 4.1Å; L23-K137 HydrophobicContact CD1-CG 4.08Å; L23-K137 HydrophobicContact CD2-CD 4.02Å; L23-Y138 HydrophobicContact CD1-CE2 4.36Å; L23-Y138 HydrophobicContact CD2-CE2 4.16Å
24I98.4Very high98.1Very high3 Ų349.4 Ų49.42%0.01524%0.241CC..PPolyproline II helixtrans-77.6161.6164.460.7168.5000110.1Q14 Q17 L18 E28 V29 L32 L99 Y138Q14-I24 HydrophobicContact CB-CG2 4.01Å; Q14-I24 HydrophobicContact CG-CG2 3.96Å; Q17-I24 HydrophobicContact CB-CG2 4.49Å; Q17-I24 HydrophobicContact CG-CG2 4.37Å; L18-I24 HydrophobicContact CD1-CD1 4.42Å; L18-I24 HydrophobicContact CD1-CG2 4.35Å; L18-I24 HydrophobicContact CD2-CG2 4.38Å; L18-I24 HydrophobicContact CG-CG2 4.05Å; I24-E28 HydrophobicContact CB-CB 4.18Å; I24-E28 WeakPolarHBondContact CB-OE2 3.34Å; I24-E28 HydrophobicContact CD1-CB 4.15Å; I24-E28 HydrophobicContact CG1-CB 4.46Å; I24-V29 HydrophobicContact CD1-CG2 3.87Å; I24-V29 HydrophobicContact CG1-CG2 3.73Å; I24-L32 HydrophobicContact CD1-CD2 4.26Å; I24-L99 HydrophobicContact CD1-CD1 4.38Å; I24-L99 HydrophobicContact CG1-CD1 4.12Å; I24-Y138 VanDerWaalsContact O-CE1 3.28Å; I24-Y138 WeakPolarHBondContact O-CE1 3.23Å; I24-Y138 PolarHBondContact O-OH 3.09Å; I24-Y138 VanDerWaalsContact O-OH 3.13Å
25K98.2Very high98.1Very high139 Ų13951.1 Ų51.160%0.60425%0.248SC*.PPolyproline II helixtrans-72.6154.6-176.5-62.4172.3-179.3171.20111.6N27 E28 V29K25-N27 WeakPolarHBondContact CB-OD1 3.27Å; K25-N27 PolarHBondContact O-N 2.89Å; K25-N27 VanDerWaalsContact O-N 3.16Å; K25-E28 HydrophobicContact CB-CB 4.48Å; K25-E28 HydrophobicContact CB-CG 4.11Å; K25-E28 PolarHBondContact N-OE2 3.41Å; K25-E28 WeakPolarHBondContact O-CA 3.46Å; K25-E28 VanDerWaalsContact O-CB 3.31Å; K25-E28 WeakPolarHBondContact O-CB 3.42Å; K25-E28 PolarHBondContact O-N 3.48Å; K25-V29 PolarHBondContact O-N 3.47Å
26E98.6Very high98.1Very high68 Ų6850.8 Ų50.832%0.31825%0.246SC..Hα-helixtrans-53.7-39.3179-175.9-177.6117.100113.1E28 V29 K30 Y138 S140 T142 V143 Y146E26-E28 VanDerWaalsContact C-N 3.32Å; E26-E28 PolarHBondContact O-N 3.13Å; E26-V29 PolarHBondContact O-N 3.33Å; E26-K30 PolarHBondContact O-N 3.34Å; E26-Y138 HydrophobicContact CB-CD1 4.22Å; E26-S140 PolarHBondContact OE2-OG 3.42Å; E26-T142 HydrophobicContact CG-CG2 4.29Å; E26-T142 WeakPolarHBondContact OE1-CG2 3.35Å; E26-V143 HydrophobicContact CB-CG2 4.41Å; E26-V143 HydrophobicContact CG-CG2 4Å; E26-Y146 HydrophobicContact CG-CE2 4.24Å
27N98Very high98.1Very high107 Ų10750.7 Ų50.757%0.57224%0.242SC*.Hα-helixtrans-69.1-30.3176.965.8-49.7000112.8K25 A31K25-N27 WeakPolarHBondContact CB-OD1 3.27Å; K25-N27 PolarHBondContact O-N 2.89Å; K25-N27 VanDerWaalsContact O-N 3.16Å; N27-A31 PolarHBondContact O-N 2.88Å; N27-A31 VanDerWaalsContact O-N 3.13Å
28E98.4Very high98.1Very high25 Ų2554.8 Ų54.812%0.11726%0.261CS..Hα-helixtrans-71.9-42.1173.8-63.7172.6150.400110.3R13 I24 K25 E26 K30 A31 L32R13-E28 IonicContact CZ-OE1 3.3Å; R13-E28 IonicContact NH1-OE1 3.9Å; R13-E28 IonicContact NH2-OE1 2.99Å; R13-E28 PolarHBondContact NH2-OE1 2.99Å; R13-E28 IonicContact NH2-OE2 2.71Å; I24-E28 HydrophobicContact CB-CB 4.18Å; I24-E28 WeakPolarHBondContact CB-OE2 3.34Å; I24-E28 HydrophobicContact CD1-CB 4.15Å; I24-E28 HydrophobicContact CG1-CB 4.46Å; K25-E28 HydrophobicContact CB-CB 4.48Å; K25-E28 HydrophobicContact CB-CG 4.11Å; K25-E28 PolarHBondContact N-OE2 3.41Å; K25-E28 WeakPolarHBondContact O-CA 3.46Å; K25-E28 VanDerWaalsContact O-CB 3.31Å; K25-E28 WeakPolarHBondContact O-CB 3.42Å; K25-E28 PolarHBondContact O-N 3.48Å; E26-E28 VanDerWaalsContact C-N 3.32Å; E26-E28 PolarHBondContact O-N 3.13Å; E28-K30 VanDerWaalsContact C-N 3.32Å; E28-K30 PolarHBondContact O-N 2.98Å; E28-A31 PolarHBondContact O-N 3.05Å; E28-L32 WeakPolarHBondContact O-CB 3.39Å; E28-L32 PolarHBondContact O-N 2.68Å
29V98.8Very high98.1Very high0 Ų056.8 Ų56.80%027%0.271CS..Hα-helixtrans-57-46.6172177.90000111I24 K25 E26 A31 L32 C33 L99 Y138 V143 Y146I24-V29 HydrophobicContact CD1-CG2 3.87Å; I24-V29 HydrophobicContact CG1-CG2 3.73Å; K25-V29 PolarHBondContact O-N 3.47Å; E26-V29 PolarHBondContact O-N 3.33Å; V29-A31 VanDerWaalsContact C-N 3.34Å; V29-A31 PolarHBondContact O-N 3.37Å; V29-L32 PolarHBondContact O-N 2.99Å; V29-C33 WeakPolarHBondContact O-CB 3.45Å; V29-C33 PolarHBondContact O-N 3.43Å; V29-C33 PolarHBondContact O-SG 2.96Å; V29-L99 HydrophobicContact CG1-CD2 3.89Å; V29-L99 HydrophobicContact CG2-CD1 3.79Å; V29-L99 HydrophobicContact CG2-CD2 4.33Å; V29-Y138 HydrophobicContact CG2-CE1 4.25Å; V29-V143 HydrophobicContact CB-CG2 4.36Å; V29-V143 HydrophobicContact CG1-CG1 4.14Å; V29-V143 HydrophobicContact CG1-CG2 4.26Å; V29-V143 HydrophobicContact CG2-CG2 4.29Å; V29-Y146 HydrophobicContact CG1-CD2 4.3Å
30K98.6Very high98.1Very high118 Ų11854.7 Ų54.751%0.51326%0.263SS..Hα-helixtrans-57.1-47.4177.2-172.9-176.8-175.4172.60111.8E26 E28 A34 Y146E26-K30 PolarHBondContact O-N 3.34Å; E28-K30 VanDerWaalsContact C-N 3.32Å; E28-K30 PolarHBondContact O-N 2.98Å; K30-A34 PolarHBondContact O-N 2.72Å; K30-Y146 HydrophobicContact CB-CD2 4.02Å; K30-Y146 HydrophobicContact CB-CE2 3.57Å; K30-Y146 HydrophobicContact CD-CE1 4.4Å; K30-Y146 HydrophobicContact CD-CE2 4.34Å; K30-Y146 WeakPolarHBondContact CD-OH 3.49Å; K30-Y146 HydrophobicContact CG-CD2 4.47Å; K30-Y146 HydrophobicContact CG-CE1 4.05Å; K30-Y146 HydrophobicContact CG-CE2 3.91Å
31A98.3Very high98.2Very high46 Ų4651 Ų5138%0.3825%0.254SS..Hα-helixtrans-66.4-40.5179.800000111.9N27 E28 V29 A34 K35N27-A31 PolarHBondContact O-N 2.88Å; N27-A31 VanDerWaalsContact O-N 3.13Å; E28-A31 PolarHBondContact O-N 3.05Å; V29-A31 VanDerWaalsContact C-N 3.34Å; V29-A31 PolarHBondContact O-N 3.37Å; A31-A34 PolarHBondContact O-N 2.88Å; A31-K35 WeakPolarHBondContact O-CG 3.26Å; A31-K35 PolarHBondContact O-N 3.41Å; A31-K35 VanDerWaalsContact O-N 3.08Å
32L98.7Very high98.2Very high3 Ų357.8 Ų57.82%0.01628%0.284CS..Hα-helixtrans-61.3-48.2175.7176.163000111.4L11 I24 E28 V29 A34 K35 A36 L99 L102 A103 V106L11-L32 HydrophobicContact CD1-CD1 4.01Å; I24-L32 HydrophobicContact CD1-CD2 4.26Å; E28-L32 WeakPolarHBondContact O-CB 3.39Å; E28-L32 PolarHBondContact O-N 2.68Å; V29-L32 PolarHBondContact O-N 2.99Å; L32-A34 VanDerWaalsContact C-N 3.33Å; L32-A34 PolarHBondContact O-N 3.33Å; L32-K35 PolarHBondContact O-N 3.12Å; L32-A36 WeakPolarHBondContact O-CB 3.23Å; L32-A36 PolarHBondContact O-N 3.07Å; L32-L99 HydrophobicContact CD2-CD2 4.24Å; L32-L102 HydrophobicContact CD2-CB 4.41Å; L32-L102 HydrophobicContact CD2-CD2 4.28Å; L32-L102 HydrophobicContact CD2-CG 4.47Å; L32-L102 HydrophobicContact CG-CD2 4.12Å; L32-L102 HydrophobicContact CG-CG 4.31Å; L32-A103 HydrophobicContact CD1-CB 4.16Å; L32-A103 HydrophobicContact CD2-CB 4.08Å; L32-V106 HydrophobicContact CD1-CB 4Å; L32-V106 HydrophobicContact CD1-CG1 4.44Å; L32-V106 HydrophobicContact CD1-CG2 3.72Å
33C98.8Very high98.3Very high7 Ų754.7 Ų54.75%0.04727%0.27CS..Hα-helixtrans-60.4-43176.8-67.20000111.2V29 K35 A36 R37 I150V29-C33 WeakPolarHBondContact O-CB 3.45Å; V29-C33 PolarHBondContact O-N 3.43Å; V29-C33 PolarHBondContact O-SG 2.96Å; C33-K35 PolarHBondContact O-N 3.19Å; C33-A36 PolarHBondContact O-N 2.9Å; C33-R37 WeakPolarHBondContact O-CB 3.32Å; C33-R37 PolarHBondContact O-N 3.02Å; C33-I150 HydrophobicContact CB-CD1 3.87Å; C33-I150 HydrophobicContact CB-CG1 3.62Å; C33-I150 WeakPolarHBondContact O-CD1 3.45Å
34A98.4Very high98.3Very high33 Ų3354.1 Ų54.127%0.27327%0.271SS..Hα-helixtrans-58.1-45.8176.800000112.3K30 A31 L32 R37 E38K30-A34 PolarHBondContact O-N 2.72Å; A31-A34 PolarHBondContact O-N 2.88Å; L32-A34 VanDerWaalsContact C-N 3.33Å; L32-A34 PolarHBondContact O-N 3.33Å; A34-R37 PolarHBondContact O-N 2.61Å; A34-E38 PolarHBondContact O-N 3.4Å
35K98.4Very high98.3Very high53 Ų5354.4 Ų54.423%0.2327%0.272CS..Hα-helixtrans-65.6-41.3176-69.1-178.4179.4-177.40112.2D7 A31 L32 C33 R37 E38 I39 V106D7-K35 IonicContact OD1-NZ 2.87Å; D7-K35 PolarHBondContact OD1-NZ 3Å; A31-K35 WeakPolarHBondContact O-CG 3.26Å; A31-K35 PolarHBondContact O-N 3.41Å; A31-K35 VanDerWaalsContact O-N 3.08Å; L32-K35 PolarHBondContact O-N 3.12Å; C33-K35 PolarHBondContact O-N 3.19Å; K35-R37 VanDerWaalsContact C-N 3.33Å; K35-R37 PolarHBondContact O-N 2.86Å; K35-E38 WeakPolarHBondContact O-CB 3.38Å; K35-E38 PolarHBondContact O-N 2.95Å; K35-I39 PolarHBondContact O-N 3.1Å; K35-V106 HydrophobicContact CB-CG1 3.76Å; K35-V106 HydrophobicContact CB-CG2 4.26Å; K35-V106 HydrophobicContact CD-CG1 4.18Å
36A98.6Very high98.4Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-62.3-40.9177.200000112.1L32 C33 E38 I39 L40 L102 V106 I150L32-A36 WeakPolarHBondContact O-CB 3.23Å; L32-A36 PolarHBondContact O-N 3.07Å; C33-A36 PolarHBondContact O-N 2.9Å; A36-E38 VanDerWaalsContact C-N 3.3Å; A36-E38 PolarHBondContact O-N 3.34Å; A36-I39 PolarHBondContact O-N 3.27Å; A36-I39 VanDerWaalsContact O-N 3.1Å; A36-L40 HydrophobicContact CB-CD1 4.41Å; A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 VanDerWaalsContact O-CG 3.31Å; A36-L40 WeakPolarHBondContact O-CG 3.27Å; A36-L40 PolarHBondContact O-N 2.8Å; A36-L102 HydrophobicContact CB-CD1 3.46Å; A36-L102 VanDerWaalsContact CB-CD1 3.46Å; A36-L102 HydrophobicContact CB-CD2 4.1Å; A36-L102 HydrophobicContact CB-CG 3.81Å; A36-V106 HydrophobicContact CB-CG2 3.68Å; A36-I150 HydrophobicContact CB-CD1 4.47Å
37R98.5Very high98.4Very high99 Ų9946.8 Ų46.837%0.37424%0.239SC..Hα-helixtrans-59.8-39.9176.5-173.3179.362.7-143.4-3.4112.2C33 A34 K35 I39 V41 I150 Y153C33-R37 WeakPolarHBondContact O-CB 3.32Å; C33-R37 PolarHBondContact O-N 3.02Å; A34-R37 PolarHBondContact O-N 2.61Å; K35-R37 VanDerWaalsContact C-N 3.33Å; K35-R37 PolarHBondContact O-N 2.86Å; R37-I39 PolarHBondContact O-N 3.45Å; R37-V41 VanDerWaalsContact O-CB 3.28Å; R37-V41 WeakPolarHBondContact O-CB 2.89Å; R37-V41 WeakPolarHBondContact O-CG1 3.49Å; R37-V41 PolarHBondContact O-N 2.84Å; R37-I150 HydrophobicContact CB-CD1 3.85Å; R37-Y153 HydrophobicContact CG-CD1 3.93Å; R37-Y153 HydrophobicContact CG-CD2 4.2Å; R37-Y153 HydrophobicContact CG-CE1 3.67Å; R37-Y153 HydrophobicContact CG-CE2 3.98Å; R37-Y153 HydrophobicContact CG-CG 4.2Å
38E97.9Very high98.4Very high121 Ų12149.9 Ų49.957%0.56524%0.243SC*.Hα-helixtrans-62.1-29.6176.7-69172.2-168.800112.8A34 K35 A36A34-E38 PolarHBondContact O-N 3.4Å; K35-E38 WeakPolarHBondContact O-CB 3.38Å; K35-E38 PolarHBondContact O-N 2.95Å; A36-E38 VanDerWaalsContact C-N 3.3Å; A36-E38 PolarHBondContact O-N 3.34Å
39I98.3Very high98.4Very high42 Ų4249.2 Ų49.222%0.21524%0.24CC..Hα-helixtrans-83.8-54.1177.3-64.1164000110K35 A36 R37 V41 E42 V106 P109K35-I39 PolarHBondContact O-N 3.1Å; A36-I39 PolarHBondContact O-N 3.27Å; A36-I39 VanDerWaalsContact O-N 3.1Å; R37-I39 PolarHBondContact O-N 3.45Å; I39-V41 PolarHBondContact O-N 3.49Å; I39-E42 PolarHBondContact O-N 3.32Å; I39-E42 VanDerWaalsContact O-N 3.12Å; I39-V106 HydrophobicContact CD1-CB 4.33Å; I39-V106 HydrophobicContact CD1-CG1 4.36Å; I39-V106 HydrophobicContact CD1-CG2 4.23Å; I39-P109 HydrophobicContact CD1-CB 4.37Å; I39-P109 HydrophobicContact CG2-CB 4Å
40L98.4Very high98.4Very high0 Ų053.3 Ų53.30%026%0.262CS..Hα-helixtrans-66.2-24.1-173-65.4171.4000112.9A36 E42 E43 I150 L154 R186A36-L40 HydrophobicContact CB-CD1 4.41Å; A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 VanDerWaalsContact O-CG 3.31Å; A36-L40 WeakPolarHBondContact O-CG 3.27Å; A36-L40 PolarHBondContact O-N 2.8Å; L40-E42 VanDerWaalsContact C-N 3.25Å; L40-E42 PolarHBondContact O-N 2.92Å; L40-E43 PolarHBondContact O-N 3.24Å; L40-I150 HydrophobicContact CD1-CG2 3.75Å; L40-L154 HydrophobicContact CD1-CD2 4.12Å; L40-L154 HydrophobicContact CD2-CD2 4.39Å; L40-R186 PolarHBondContact O-NH2 3.18Å
41V97.6Very high98.3Very high48 Ų4848.8 Ų48.829%0.29125%0.246SC..THydrogen-bonded Turntrans-67-27.1176.273.40000113R37 I39 Y153R37-V41 VanDerWaalsContact O-CB 3.28Å; R37-V41 WeakPolarHBondContact O-CB 2.89Å; R37-V41 WeakPolarHBondContact O-CG1 3.49Å; R37-V41 PolarHBondContact O-N 2.84Å; I39-V41 PolarHBondContact O-N 3.49Å; V41-Y153 HydrophobicContact CB-CD1 4.04Å; V41-Y153 HydrophobicContact CB-CE1 4.21Å; V41-Y153 HydrophobicContact CG2-CD1 4.26Å; V41-Y153 HydrophobicContact CG2-CE1 4.08Å
42E97.5Very high98.3Very high162 Ų16249.3 Ų49.376%0.75725%0.245SC*.THydrogen-bonded Turntrans-86.6-12.4179.2-59.9-61.3139.600112.3I39 L40I39-E42 PolarHBondContact O-N 3.32Å; I39-E42 VanDerWaalsContact O-N 3.12Å; L40-E42 VanDerWaalsContact C-N 3.25Å; L40-E42 PolarHBondContact O-N 2.92Å
43E98.2Very high98.4Very high19 Ų1949.3 Ų49.39%0.08925%0.245CC..SBendtrans-76.6147.5177.7-67.3-171.2177.500112.7L40 K105 S155 R186L40-E43 PolarHBondContact O-N 3.24Å; E43-K105 WeakPolarHBondContact OE1-CE 3.06Å; E43-K105 IonicContact OE1-NZ 3.62Å; E43-K105 PolarHBondContact OE1-NZ 3.4Å; E43-S155 WeakPolarHBondContact CB-OG 3.44Å; E43-S155 PolarHBondContact OE2-OG 2.95Å; E43-R186 VanDerWaalsContact O-CZ 3.28Å; E43-R186 PolarHBondContact O-NH1 2.88Å; E43-R186 PolarHBondContact O-NH2 3.08Å
44S98.3Very high98.4Very high44 Ų4449.2 Ų49.231%0.30825%0.245SC..  trans-80.8151.7178.1167.40000111.1V46 Q47 S155S44-V46 WeakPolarHBondContact CB-O 3.34Å; S44-V46 PolarHBondContact O-N 2.89Å; S44-V46 PolarHBondContact OG-N 2.82Å; S44-V46 VanDerWaalsContact OG-N 3.13Å; S44-V46 PolarHBondContact OG-O 2.74Å; S44-Q47 VanDerWaalsContact N-OE1 3.12Å; S44-Q47 PolarHBondContact O-N 3.26Å; S44-S155 WeakPolarHBondContact O-CB 3.46Å; S44-S155 PolarHBondContact O-OG 3.35Å; S44-S155 VanDerWaalsContact O-OG 3.06Å
45N98.8Very high98.4Very high8 Ų847.7 Ų47.74%0.04323%0.232CC..SBendtrans-59.8-26.9171.4-65.9-13.5000112.7L156 S157 I181 R182 I184 R186N45-L156 HydrophobicContact CB-CD1 4.44Å; N45-L156 PolarHBondContact O-N 2.89Å; N45-S157 PolarHBondContact O-N 2.75Å; N45-S157 VanDerWaalsContact O-O 3.11Å; N45-S157 PolarHBondContact O-OG 2.77Å; N45-I181 HydrophobicContact CB-CG2 4.17Å; N45-I181 WeakPolarHBondContact CB-O 3.32Å; N45-I181 PolarHBondContact ND2-O 3.3Å; N45-R182 PolarHBondContact ND2-O 2.71Å; N45-I184 PolarHBondContact ND2-N 3.02Å; N45-I184 PolarHBondContact ND2-O 3.47Å; N45-R186 WeakPolarHBondContact OD1-CD 3.39Å; N45-R186 VanDerWaalsContact OD1-CG 3.26Å; N45-R186 WeakPolarHBondContact OD1-CG 3.46Å; N45-R186 PolarHBondContact OD1-NH1 2.77Å
46V98.8Very high98.4Very high5 Ų545.1 Ų45.13%0.0322%0.221CC..EExtended strand (participates in β ladder)trans-112.690.3168.4-171.30000106.4S44 S157 I159 L178 I181 R182S44-V46 WeakPolarHBondContact CB-O 3.34Å; S44-V46 PolarHBondContact O-N 2.89Å; S44-V46 PolarHBondContact OG-N 2.82Å; S44-V46 VanDerWaalsContact OG-N 3.13Å; S44-V46 PolarHBondContact OG-O 2.74Å; V46-S157 WeakPolarHBondContact CA-O 3.5Å; V46-S157 WeakPolarHBondContact CA-OG 3.38Å; V46-S157 WeakPolarHBondContact CG2-OG 3.36Å; V46-I159 HydrophobicContact CG1-CB 4Å; V46-I159 HydrophobicContact CG1-CG2 3.88Å; V46-L178 HydrophobicContact CG1-CD2 4.43Å; V46-I181 HydrophobicContact CG2-CB 3.63Å; V46-I181 HydrophobicContact CG2-CD1 4.46Å; V46-I181 HydrophobicContact CG2-CG2 3.61Å; V46-R182 HydrophobicContact CB-CG 4.13Å; V46-R182 HydrophobicContact CG2-CG 3.8Å
47Q98.6Very high98.4Very high43 Ų4345.1 Ų45.120%0.20122%0.221CC..EExtended strand (participates in β ladder)trans-74.8129.2-176-175.358.717.600110.2S44 T113 S157 A158 I159S44-Q47 VanDerWaalsContact N-OE1 3.12Å; S44-Q47 PolarHBondContact O-N 3.26Å; Q47-T113 HydrophobicContact CB-CG2 4.25Å; Q47-T113 HydrophobicContact CG-CG2 3.85Å; Q47-S157 PolarHBondContact N-O 3Å; Q47-A158 HydrophobicContact CB-CB 4.42Å; Q47-A158 CarbonylContact O-C 3.44Å; Q47-A158 WeakPolarHBondContact O-CA 3.41Å; Q47-A158 WeakPolarHBondContact O-CB 3.21Å; Q47-I159 PolarHBondContact O-N 3.18Å
48R98.5Very high98.4Very high171 Ų17140.5 Ų40.565%0.64520%0.203SC*.EExtended strand (participates in β ladder)trans-76.2134.2173.9-178.5178.4168.6172.3-1.6109.3D50R48-D50 IonicContact CZ-OD1 3.35Å; R48-D50 IonicContact NE-OD1 2.62Å; R48-D50 PolarHBondContact NE-OD1 2.89Å; R48-D50 IonicContact NH2-OD1 3.99Å; R48-D50 PolarHBondContact NH2-OD1 3.5Å
49V98.6Very high98.5Very high12 Ų1234.8 Ų34.87%0.07318%0.177CC..EExtended strand (participates in β ladder)trans-129.4135174.3178.60000107.2V53 T113 A158 I159 I160 D161V49-V53 HydrophobicContact CG1-CB 4.18Å; V49-V53 HydrophobicContact CG1-CG1 4.21Å; V49-V53 HydrophobicContact CG1-CG2 3.94Å; V49-T113 HydrophobicContact CG2-CG2 4.13Å; V49-A158 HydrophobicContact CG2-CB 4.09Å; V49-I159 PolarHBondContact N-O 3.47Å; V49-I160 HydrophobicContact CB-CG1 4.17Å; V49-I160 HydrophobicContact CG1-CG1 4.34Å; V49-I160 VanDerWaalsContact O-CA 3.27Å; V49-I160 WeakPolarHBondContact O-CA 3.43Å; V49-D161 PolarHBondContact O-N 3.07Å
50D98.3Very high98.5Very high85 Ų8532.9 Ų32.946%0.45517%0.167SC..PPolyproline II helixtrans-102146.6175.3-59.1-47.6000109.1R48 D161R48-D50 IonicContact CZ-OD1 3.35Å; R48-D50 IonicContact NE-OD1 2.62Å; R48-D50 PolarHBondContact NE-OD1 2.89Å; R48-D50 IonicContact NH2-OD1 3.99Å; R48-D50 PolarHBondContact NH2-OD1 3.5Å; D50-D161 VanDerWaalsContact CA-OD1 3.3Å; D50-D161 WeakPolarHBondContact CA-OD1 3.38Å
51S97.8Very high98.4Very high24 Ų2432.9 Ų32.917%0.16817%0.167CC..SBendtrans-73.1156.2171.165.20000111.8D161 D280S51-D161 WeakPolarHBondContact CB-OD2 3.42Å; S51-D161 PolarHBondContact N-OD1 2.9Å; S51-D161 PolarHBondContact OG-OD2 3.41Å; S51-D280 VanDerWaalsContact CB-O 3.26Å; S51-D280 WeakPolarHBondContact CB-O 3.39Å; S51-D280 PolarHBondContact OG-O 3.25Å
52P98.5Very high98.4Very high57 Ų5730.8 Ų30.837%0.3715%0.154SC..SBendcis-74.6147.3-0.332.8-34.6000112.2N80 L279 E281P52-N80 WeakPolarHBondContact O-CB 3.48Å; P52-N80 PolarHBondContact O-ND2 3.03Å; P52-L279 CarbonylContact C-O 3.59Å; P52-L279 WeakPolarHBondContact CA-O 3.4Å; P52-L279 WeakPolarHBondContact CB-O 3.45Å; P52-E281 HydrophobicContact CG-CG 4.33Å
53V98.9Very high98.5Very high3 Ų323.1 Ų23.12%0.01812%0.118CC..EExtended strand (participates in β ladder)trans-153.2142.1179.863.60000112.3V49 V55 N80 L82 I160 L279V49-V53 HydrophobicContact CG1-CB 4.18Å; V49-V53 HydrophobicContact CG1-CG1 4.21Å; V49-V53 HydrophobicContact CG1-CG2 3.94Å; V53-V55 HydrophobicContact CG1-CG2 4.4Å; V53-N80 HydrophobicContact CB-CB 4.45Å; V53-N80 HydrophobicContact CG2-CB 4.4Å; V53-L82 HydrophobicContact CG2-CB 4.04Å; V53-I160 HydrophobicContact CG1-CD1 3.88Å; V53-I160 HydrophobicContact CG1-CG1 4.38Å; V53-I160 HydrophobicContact CG1-CG2 3.86Å; V53-L279 HydrophobicContact CG1-CB 4.23Å; V53-L279 HydrophobicContact CG1-CD1 4.12Å; V53-L279 PolarHBondContact N-O 3.33Å; V53-L279 PolarHBondContact O-N 2.95Å
54T98.9Very high98.4Very high5 Ų524 Ų243%0.03112%0.121CC..EExtended strand (participates in β ladder)trans-98.5118.8171.6-58.30000109.8T79 N80 Y81 L82 I276 L277 E278T54-T79 WeakPolarHBondContact OG1-CG2 3.46Å; T54-N80 PolarHBondContact N-O 2.74Å; T54-Y81 HydrophobicContact CG2-CD1 3.98Å; T54-Y81 HydrophobicContact CG2-CE1 3.47Å; T54-Y81 VanDerWaalsContact CG2-CE1 3.47Å; T54-Y81 CarbonylContact O-C 3.49Å; T54-Y81 WeakPolarHBondContact O-CA 3.31Å; T54-L82 PolarHBondContact O-N 2.83Å; T54-I276 HydrophobicContact CG2-CB 3.95Å; T54-I276 HydrophobicContact CG2-CD1 3.82Å; T54-I276 HydrophobicContact CG2-CG1 4.18Å; T54-L277 CarbonylContact C-O 3.56Å; T54-L277 WeakPolarHBondContact CA-O 2.8Å; T54-E278 HydrophobicContact CG2-CG 4.18Å
55V98.9Very high98.4Very high0 Ų022.1 Ų22.10%011%0.107CC..EExtended strand (participates in β ladder)trans-97.7128.7-178.5-173.30000110.1V53 L82 M84 I160 L277 L279V53-V55 HydrophobicContact CG1-CG2 4.4Å; V55-L82 CarbonylContact C-O 3.47Å; V55-L82 WeakPolarHBondContact CA-O 3.5Å; V55-L82 HydrophobicContact CG1-CD2 4.27Å; V55-L82 HydrophobicContact CG2-CB 4.43Å; V55-L82 HydrophobicContact CG2-CD2 4.34Å; V55-M84 HydrophobicContact CG1-CE 3.7Å; V55-M84 HydrophobicContact CG1-CG 4.1Å; V55-M84 HydrophobicContact CG1-SD 3.79Å; V55-I160 HydrophobicContact CG2-CD1 3.64Å; V55-L277 HydrophobicContact CB-CB 4.25Å; V55-L277 HydrophobicContact CB-CD2 4.49Å; V55-L277 PolarHBondContact N-O 3.42Å; V55-L277 PolarHBondContact O-N 3.46Å; V55-L279 HydrophobicContact CG2-CD1 4.18Å
56C98.9Very high98.3Very high0 Ų021.8 Ų21.80%011%0.105CC..EExtended strand (participates in β ladder)trans-120.5141-177.6-52.30000110.8L69 Y81 L82 F83 M84 I276C56-L69 HydrophobicContact CB-CD1 4.21Å; C56-Y81 VanDerWaalsContact SG-CD1 3.56Å; C56-L82 PolarHBondContact N-O 2.81Å; C56-F83 HydrophobicContact CB-CD1 3.49Å; C56-F83 VanDerWaalsContact CB-CD1 3.49Å; C56-F83 HydrophobicContact CB-CE1 3.73Å; C56-F83 HydrophobicContact CB-CG 4.03Å; C56-F83 HydrophobicContact CB-CZ 4.43Å; C56-M84 WeakPolarHBondContact O-CB 3.46Å; C56-M84 WeakPolarHBondContact O-CG 3.47Å; C56-M84 PolarHBondContact O-N 2.92Å; C56-I276 HydrophobicContact CB-CG2 4.35Å
57G98.8Very high98.3Very high0 Ų026.1 Ų26.10%012%0.124CC..  trans-88.7-149.2170.500000112.4V260 S262G57-V260 WeakPolarHBondContact CA-O 3.23Å; G57-S262 PolarHBondContact N-OG 3.35Å
58D98.9Very high98.2Very high1 Ų125.9 Ų25.91%0.00512%0.123CC..  trans-61143.3-175.9-56.727.7000112.6H60 D86 H168 A241 H242 W261 S262 A263D58-H60 IonicContact OD2-NE2 2.77Å; D58-D86 HydrophobicContact CB-CB 4Å; D58-H168 IonicContact OD1-CE1 3.21Å; D58-H168 IonicContact OD1-ND1 3.93Å; D58-H168 IonicContact OD2-CE1 3.16Å; D58-A241 WeakPolarHBondContact OD1-CB 3.3Å; D58-H242 PolarHBondContact OD1-N 2.74Å; D58-H242 WeakPolarHBondContact OD2-CA 3.18Å; D58-H242 PolarHBondContact OD2-N 3.32Å; D58-W261 HydrophobicContact CB-CD2 4.43Å; D58-W261 HydrophobicContact CB-CE3 4.02Å; D58-W261 HydrophobicContact CB-CH2 3.92Å; D58-W261 HydrophobicContact CB-CZ2 4.32Å; D58-W261 HydrophobicContact CB-CZ3 3.77Å; D58-W261 VanDerWaalsContact CG-CZ3 3.42Å; D58-W261 WeakPolarHBondContact OD2-CH2 3.28Å; D58-W261 WeakPolarHBondContact OD2-CZ3 3.28Å; D58-S262 CarbonylContact O-C 3.43Å; D58-S262 WeakPolarHBondContact O-CA 3.32Å; D58-S262 WeakPolarHBondContact O-CB 3.15Å; D58-S262 PolarHBondContact O-N 2.92Å; D58-A263 PolarHBondContact O-N 2.87Å; D58-A263 VanDerWaalsContact O-N 3.08Å
59I98.7Very high98.2Very high2 Ų217.8 Ų17.81%0.019%0.092CC..  trans-119.4-36.7-179.9-53.4-62.7000112.1G61 Q62 L66 L69 F83 D86 T97I59-G61 PolarHBondContact O-N 2.79Å; I59-Q62 WeakPolarHBondContact O-CB 3.42Å; I59-Q62 PolarHBondContact O-N 2.94Å; I59-Q62 VanDerWaalsContact O-N 3.1Å; I59-L66 HydrophobicContact CD1-CD1 4.27Å; I59-L66 HydrophobicContact CG2-CB 4.12Å; I59-L66 HydrophobicContact CG2-CD1 4.49Å; I59-L69 HydrophobicContact CD1-CD1 3.85Å; I59-F83 HydrophobicContact CD1-CD1 4.24Å; I59-F83 HydrophobicContact CD1-CE1 4.12Å; I59-F83 HydrophobicContact CG1-CD1 4.17Å; I59-F83 HydrophobicContact CG1-CE1 4.38Å; I59-D86 PolarHBondContact N-O 3.24Å; I59-T97 HydrophobicContact CB-CG2 4.33Å; I59-T97 HydrophobicContact CG2-CG2 3.55Å
60H98.4Very high98.2Very high2 Ų217.7 Ų17.71%0.0099%0.091CC..THydrogen-bonded Turntrans46.951.2173.9-75.2-58.8000114.9D58 Q62 D86 V88 D89 R90 G91 H119 W261 Y266D58-H60 IonicContact OD2-NE2 2.77Å; H60-Q62 PolarHBondContact O-N 2.78Å; H60-D86 IonicContact CE1-OD2 3.77Å; H60-D86 PolarHBondContact CE1-OD2 3.42Å; H60-D86 VanDerWaalsContact CE1-OD2 3.26Å; H60-D86 PolarHBondContact N-O 3.38Å; H60-D86 IonicContact NE2-OD2 2.67Å; H60-V88 PolarHBondContact ND1-O 2.83Å; H60-D89 CarbonylContact C-O 3.5Å; H60-D89 WeakPolarHBondContact CA-O 3.35Å; H60-D89 WeakPolarHBondContact CB-O 3.43Å; H60-D89 VanDerWaalsContact O-O 3.06Å; H60-R90 HydrophobicContact CB-CB 4.34Å; H60-G91 WeakPolarHBondContact O-CA 3.06Å; H60-G91 PolarHBondContact O-N 2.85Å; H60-H119 AromaticContact CE1-CD2 3.57Å; H60-H119 AromaticContact CE1-CG 3.86Å; H60-H119 AromaticContact CE1-NE2 3.73Å; H60-W261 AromaticContact CD2-CH2 3.89Å; H60-W261 AromaticContact NE2-CH2 3.93Å; H60-Y266 HydrophobicContact CB-CD2 4.44Å; H60-Y266 HydrophobicContact CB-CE2 3.73Å; H60-Y266 AromaticContact CD2-CE2 3.15Å; H60-Y266 WeakPolarHBondContact CD2-CE2 3.29Å; H60-Y266 AromaticContact CD2-CZ 3.56Å; H60-Y266 PolarHBondContact CD2-OH 3.35Å; H60-Y266 AromaticContact CG-CE2 3.6Å; H60-Y266 AromaticContact NE2-CE2 3.82Å; H60-Y266 AromaticContact NE2-CZ 3.71Å; H60-Y266 PolarHBondContact NE2-OH 2.87Å
61G97.6Very high98.2Very high0 Ų021.6 Ų21.60%010%0.099CC..THydrogen-bonded Turntrans60.516.2175.800000115.3I59 F63 F87 Y93I59-G61 PolarHBondContact O-N 2.79Å; G61-F63 PolarHBondContact O-N 2.89Å; G61-F87 PolarHBondContact N-O 3.43Å; G61-Y93 CarbonylContact O-C 3.17Å; G61-Y93 WeakPolarHBondContact O-CA 3.41Å; G61-Y93 WeakPolarHBondContact O-CB 3.22Å; G61-Y93 PolarHBondContact O-N 3.32Å
62Q97.5Very high98.2Very high4 Ų422.1 Ų22.12%0.01910%0.101CC..  trans-8364.1174.8-63.4-164.8171.500110.8I59 H60 Y64 D65 L66 P264 Y268I59-Q62 WeakPolarHBondContact O-CB 3.42Å; I59-Q62 PolarHBondContact O-N 2.94Å; I59-Q62 VanDerWaalsContact O-N 3.1Å; H60-Q62 PolarHBondContact O-N 2.78Å; Q62-Y64 VanDerWaalsContact C-N 3.3Å; Q62-Y64 PolarHBondContact O-N 2.64Å; Q62-Y64 VanDerWaalsContact O-N 3.13Å; Q62-D65 HydrophobicContact CB-CB 4.1Å; Q62-D65 WeakPolarHBondContact CB-OD2 3.45Å; Q62-D65 PolarHBondContact NE2-OD2 3.42Å; Q62-D65 WeakPolarHBondContact O-CA 3.45Å; Q62-D65 WeakPolarHBondContact O-CB 3.3Å; Q62-D65 PolarHBondContact O-N 3.05Å; Q62-L66 PolarHBondContact O-N 2.83Å; Q62-P264 PolarHBondContact NE2-O 3.28Å; Q62-Y268 HydrophobicContact CG-CE1 4.43Å
63F97.8Very high98.1Very high0 Ų019.7 Ų19.70%09%0.086CC..Hα-helixtrans-51.7-40.3-171.1-179.3-93.6000115.2L18 C21 G61 D65 L66 K67 Y93 E96 L100L18-F63 WeakPolarHBondContact O-CZ 3.39Å; C21-F63 HydrophobicContact CB-CD1 3.77Å; C21-F63 HydrophobicContact CB-CE1 3.47Å; C21-F63 VanDerWaalsContact CB-CE1 3.47Å; C21-F63 HydrophobicContact CB-CZ 4.21Å; G61-F63 PolarHBondContact O-N 2.89Å; F63-D65 VanDerWaalsContact C-N 3.28Å; F63-D65 PolarHBondContact O-N 3.37Å; F63-L66 WeakPolarHBondContact O-CB 3.29Å; F63-L66 PolarHBondContact O-N 3.42Å; F63-K67 HydrophobicContact CD1-CD 4.18Å; F63-K67 HydrophobicContact CD1-CG 4.47Å; F63-K67 HydrophobicContact CE1-CD 3.51Å; F63-K67 HydrophobicContact CE1-CG 3.97Å; F63-K67 HydrophobicContact CZ-CD 4.11Å; F63-K67 HydrophobicContact CZ-CG 4.25Å; F63-K67 PolarHBondContact O-N 3.18Å; F63-Y93 VanDerWaalsContact CB-CB 3.44Å; F63-Y93 HydrophobicContact CB-CD2 4.47Å; F63-Y93 HydrophobicContact CB-CG 4.09Å; F63-E96 HydrophobicContact CD2-CB 3.69Å; F63-E96 HydrophobicContact CE2-CB 3.94Å; F63-E96 HydrophobicContact CG-CB 4.25Å; F63-L100 HydrophobicContact CE2-CB 4.39Å; F63-L100 HydrophobicContact CE2-CD2 3.7Å; F63-L100 HydrophobicContact CZ-CD2 4.15Å
64Y96.8Very high98.1Very high39 Ų3920.8 Ų20.815%0.15310%0.099CC..Hα-helixtrans-69.1-30.1178.8-64.8-80.6000112.5Q62 K67 E68 Y93 T297 R298 G299Q62-Y64 VanDerWaalsContact C-N 3.3Å; Q62-Y64 PolarHBondContact O-N 2.64Å; Q62-Y64 VanDerWaalsContact O-N 3.13Å; Y64-K67 WeakPolarHBondContact O-CB 3.5Å; Y64-K67 PolarHBondContact O-N 3.34Å; Y64-E68 PolarHBondContact O-N 3.05Å; Y64-E68 VanDerWaalsContact O-N 3.17Å; Y64-Y93 HydrophobicContact CD2-CD2 4.36Å; Y64-Y93 HydrophobicContact CD2-CE2 4.11Å; Y64-Y93 HydrophobicContact CE2-CD2 4.17Å; Y64-Y93 HydrophobicContact CE2-CE1 4.24Å; Y64-Y93 AromaticContact CE2-CE2 3.69Å; Y64-Y93 HydrophobicContact CE2-CE2 3.69Å; Y64-Y93 AromaticContact CE2-CZ 3.74Å; Y64-T297 VanDerWaalsContact CD1-O 3.26Å; Y64-T297 WeakPolarHBondContact CD1-O 3.39Å; Y64-T297 WeakPolarHBondContact CE1-O 3.5Å; Y64-R298 HydrophobicContact CD2-CB 4.22Å; Y64-R298 HydrophobicContact CD2-CG 4.11Å; Y64-R298 HydrophobicContact CE2-CB 4.44Å; Y64-R298 HydrophobicContact CG-CG 4.21Å; Y64-G299 PolarHBondContact OH-N 3.48Å
65D97.7Very high98Very high3 Ų323.4 Ų23.42%0.01611%0.112CC..Hα-helixtrans-77.5-30.1174.6-53.4-38.4000110.5Q62 F63 K67 E68 L69 P264 A293 R298Q62-D65 HydrophobicContact CB-CB 4.1Å; Q62-D65 WeakPolarHBondContact CB-OD2 3.45Å; Q62-D65 PolarHBondContact NE2-OD2 3.42Å; Q62-D65 WeakPolarHBondContact O-CA 3.45Å; Q62-D65 WeakPolarHBondContact O-CB 3.3Å; Q62-D65 PolarHBondContact O-N 3.05Å; F63-D65 VanDerWaalsContact C-N 3.28Å; F63-D65 PolarHBondContact O-N 3.37Å; D65-K67 VanDerWaalsContact C-N 3.32Å; D65-K67 PolarHBondContact O-N 3.13Å; D65-E68 WeakPolarHBondContact O-CB 3.45Å; D65-E68 PolarHBondContact O-N 3.39Å; D65-L69 PolarHBondContact O-N 2.97Å; D65-P264 HydrophobicContact CB-CG 3.74Å; D65-A293 VanDerWaalsContact OD1-CB 3.3Å; D65-A293 WeakPolarHBondContact OD1-CB 3.47Å; D65-A293 PolarHBondContact OD1-N 3.49Å; D65-R298 VanDerWaalsContact CG-NH2 3.3Å; D65-R298 IonicContact OD1-CZ 3.37Å; D65-R298 IonicContact OD1-NH2 3.46Å; D65-R298 PolarHBondContact OD1-NH2 3.1Å; D65-R298 IonicContact OD2-CZ 3.84Å; D65-R298 IonicContact OD2-NH2 3.51Å; D65-R298 PolarHBondContact OD2-NH2 3.44Å
66L98.4Very high97.9Very high1 Ų123.7 Ų23.71%0.00511%0.114CC..Hα-helixtrans-62.1-37.8167177.466000112I59 Q62 F63 E68 L69 F70 F83 T97 L100 L101I59-L66 HydrophobicContact CD1-CD1 4.27Å; I59-L66 HydrophobicContact CG2-CB 4.12Å; I59-L66 HydrophobicContact CG2-CD1 4.49Å; Q62-L66 PolarHBondContact O-N 2.83Å; F63-L66 WeakPolarHBondContact O-CB 3.29Å; F63-L66 PolarHBondContact O-N 3.42Å; L66-E68 VanDerWaalsContact C-N 3.31Å; L66-L69 HydrophobicContact CD1-CD1 4.48Å; L66-L69 HydrophobicContact CD1-CD2 4.44Å; L66-L69 WeakPolarHBondContact O-CB 3.44Å; L66-L69 PolarHBondContact O-N 3.02Å; L66-F70 HydrophobicContact CD1-CD2 4.29Å; L66-F70 HydrophobicContact CD1-CE2 3.71Å; L66-F70 HydrophobicContact CD1-CZ 4.03Å; L66-F70 HydrophobicContact CD2-CE2 4.1Å; L66-F70 HydrophobicContact CG-CD2 4.15Å; L66-F70 HydrophobicContact CG-CE2 3.7Å; L66-F70 HydrophobicContact CG-CZ 4.48Å; L66-F70 VanDerWaalsContact O-CD2 3.3Å; L66-F70 WeakPolarHBondContact O-CD2 3.34Å; L66-F70 PolarHBondContact O-N 3.06Å; L66-F70 VanDerWaalsContact O-N 3.1Å; L66-F83 HydrophobicContact CD1-CE1 3.83Å; L66-F83 HydrophobicContact CD1-CZ 4.14Å; L66-T97 HydrophobicContact CD2-CG2 4.1Å; L66-L100 HydrophobicContact CD2-CD2 4.28Å; L66-L101 HydrophobicContact CD1-CD2 4.35Å; L66-L101 HydrophobicContact CD2-CD2 4.29Å; L66-L101 HydrophobicContact CD2-CG 4.25Å
67K97.6Very high97.9Very high96 Ų9625.3 Ų25.342%0.41712%0.124SC..Hα-helixtrans-64.5-38.6173.4-70.9-177.961.1162.10111.9R19 F63 Y64 D65 L69 F70 R71R19-K67 PolarHBondContact O-NZ 3.11Å; R19-K67 VanDerWaalsContact O-NZ 3.11Å; F63-K67 HydrophobicContact CD1-CD 4.18Å; F63-K67 HydrophobicContact CD1-CG 4.47Å; F63-K67 HydrophobicContact CE1-CD 3.51Å; F63-K67 HydrophobicContact CE1-CG 3.97Å; F63-K67 HydrophobicContact CZ-CD 4.11Å; F63-K67 HydrophobicContact CZ-CG 4.25Å; F63-K67 PolarHBondContact O-N 3.18Å; Y64-K67 WeakPolarHBondContact O-CB 3.5Å; Y64-K67 PolarHBondContact O-N 3.34Å; D65-K67 VanDerWaalsContact C-N 3.32Å; D65-K67 PolarHBondContact O-N 3.13Å; K67-L69 VanDerWaalsContact C-N 3.35Å; K67-F70 PolarHBondContact O-N 2.84Å; K67-R71 WeakPolarHBondContact O-CB 3.48Å; K67-R71 PolarHBondContact O-N 2.81Å
68E97.5Very high97.8Very high39 Ų3932.2 Ų32.218%0.18216%0.157CC..Hα-helixtrans-65.1-40.8174.7-174.162.2-171.500111.3Y64 D65 L66 F70 R71 V72 F290Y64-E68 PolarHBondContact O-N 3.05Å; Y64-E68 VanDerWaalsContact O-N 3.17Å; D65-E68 WeakPolarHBondContact O-CB 3.45Å; D65-E68 PolarHBondContact O-N 3.39Å; L66-E68 VanDerWaalsContact C-N 3.31Å; E68-F70 PolarHBondContact O-N 3.16Å; E68-R71 WeakPolarHBondContact O-CA 3.5Å; E68-R71 VanDerWaalsContact O-CB 3.29Å; E68-R71 WeakPolarHBondContact O-CB 3.39Å; E68-R71 PolarHBondContact O-N 3.02Å; E68-R71 IonicContact OE1-CZ 3.37Å; E68-R71 IonicContact OE1-NE 2.72Å; E68-R71 PolarHBondContact OE1-NE 2.63Å; E68-R71 IonicContact OE1-NH2 3.26Å; E68-R71 PolarHBondContact OE1-NH2 2.98Å; E68-R71 WeakPolarHBondContact OE2-CD 3.33Å; E68-R71 IonicContact OE2-CZ 2.88Å; E68-R71 IonicContact OE2-NE 2.99Å; E68-R71 PolarHBondContact OE2-NE 3.02Å; E68-R71 IonicContact OE2-NH2 2.68Å; E68-V72 WeakPolarHBondContact O-CG2 3.28Å; E68-V72 PolarHBondContact O-N 2.98Å; E68-F290 HydrophobicContact CB-CD2 4.35Å; E68-F290 HydrophobicContact CG-CB 4.47Å; E68-F290 HydrophobicContact CG-CD2 3.86Å
69L98.5Very high97.8Very high0 Ų033.7 Ų33.70%017%0.166CC..Hα-helixtrans-54.7-48.3173.1-178.5159.1000111.9C56 I59 D65 L66 K67 R71 V72 G73 Y81 F83 I276 F290C56-L69 HydrophobicContact CB-CD1 4.21Å; I59-L69 HydrophobicContact CD1-CD1 3.85Å; D65-L69 PolarHBondContact O-N 2.97Å; L66-L69 HydrophobicContact CD1-CD1 4.48Å; L66-L69 HydrophobicContact CD1-CD2 4.44Å; L66-L69 WeakPolarHBondContact O-CB 3.44Å; L66-L69 PolarHBondContact O-N 3.02Å; K67-L69 VanDerWaalsContact C-N 3.35Å; L69-R71 VanDerWaalsContact C-N 3.32Å; L69-R71 PolarHBondContact O-N 2.98Å; L69-V72 WeakPolarHBondContact O-CG2 3.46Å; L69-V72 PolarHBondContact O-N 3.11Å; L69-G73 PolarHBondContact O-N 3.29Å; L69-Y81 HydrophobicContact CD2-CE1 3.71Å; L69-F83 HydrophobicContact CD1-CE1 4.27Å; L69-F83 HydrophobicContact CD2-CE1 4.29Å; L69-F83 HydrophobicContact CD2-CZ 4.12Å; L69-I276 HydrophobicContact CD1-CG2 3.71Å; L69-I276 HydrophobicContact CD2-CG2 4.4Å; L69-I276 HydrophobicContact CG-CG2 3.73Å; L69-F290 HydrophobicContact CB-CE2 4.31Å; L69-F290 HydrophobicContact CB-CZ 3.93Å; L69-F290 HydrophobicContact CD1-CZ 4.23Å; L69-F290 HydrophobicContact CG-CZ 4.31Å
70F98.3Very high97.8Very high11 Ų1135.1 Ų35.15%0.04817%0.173CC..Hα-helixtrans-68.2-30.1174.7-68.6-53.6000112.9L66 K67 E68 V72 G74 V76 Y81 F83 L100 L101 L104L66-F70 HydrophobicContact CD1-CD2 4.29Å; L66-F70 HydrophobicContact CD1-CE2 3.71Å; L66-F70 HydrophobicContact CD1-CZ 4.03Å; L66-F70 HydrophobicContact CD2-CE2 4.1Å; L66-F70 HydrophobicContact CG-CD2 4.15Å; L66-F70 HydrophobicContact CG-CE2 3.7Å; L66-F70 HydrophobicContact CG-CZ 4.48Å; L66-F70 VanDerWaalsContact O-CD2 3.3Å; L66-F70 WeakPolarHBondContact O-CD2 3.34Å; L66-F70 PolarHBondContact O-N 3.06Å; L66-F70 VanDerWaalsContact O-N 3.1Å; K67-F70 PolarHBondContact O-N 2.84Å; E68-F70 PolarHBondContact O-N 3.16Å; F70-V72 VanDerWaalsContact C-N 3.32Å; F70-V72 PolarHBondContact O-N 2.63Å; F70-G74 CarbonylContact O-C 3.59Å; F70-G74 WeakPolarHBondContact O-CA 3.45Å; F70-G74 PolarHBondContact O-N 2.85Å; F70-V76 HydrophobicContact CE1-CG2 4.42Å; F70-Y81 AromaticContact CD1-CE2 3.94Å; F70-Y81 HydrophobicContact CD1-CE2 3.94Å; F70-Y81 AromaticContact CD1-CZ 3.86Å; F70-Y81 HydrophobicContact CE1-CD2 4.3Å; F70-Y81 HydrophobicContact CE1-CE1 4.47Å; F70-Y81 AromaticContact CE1-CE2 3.95Å; F70-Y81 HydrophobicContact CE1-CE2 3.95Å; F70-F83 HydrophobicContact CE1-CE2 4.45Å; F70-F83 AromaticContact CE1-CZ 3.98Å; F70-F83 HydrophobicContact CE1-CZ 3.98Å; F70-F83 HydrophobicContact CZ-CE2 4.5Å; F70-F83 AromaticContact CZ-CZ 3.94Å; F70-F83 HydrophobicContact CZ-CZ 3.94Å; F70-L100 HydrophobicContact CE2-CD2 4.4Å; F70-L101 HydrophobicContact CZ-CD2 4.1Å; F70-L104 HydrophobicContact CE2-CD1 4.33Å; F70-L104 HydrophobicContact CZ-CD1 3.92Å
71R97.4Very high97.8Very high166 Ų16635.1 Ų35.163%0.62617%0.173SC*.Hα-helixtrans-65.2-37.8175.8-166.4-16768.971-3.5111.6K67 E68 L69K67-R71 WeakPolarHBondContact O-CB 3.48Å; K67-R71 PolarHBondContact O-N 2.81Å; E68-R71 WeakPolarHBondContact O-CA 3.5Å; E68-R71 VanDerWaalsContact O-CB 3.29Å; E68-R71 WeakPolarHBondContact O-CB 3.39Å; E68-R71 PolarHBondContact O-N 3.02Å; E68-R71 IonicContact OE1-CZ 3.37Å; E68-R71 IonicContact OE1-NE 2.72Å; E68-R71 PolarHBondContact OE1-NE 2.63Å; E68-R71 IonicContact OE1-NH2 3.26Å; E68-R71 PolarHBondContact OE1-NH2 2.98Å; E68-R71 WeakPolarHBondContact OE2-CD 3.33Å; E68-R71 IonicContact OE2-CZ 2.88Å; E68-R71 IonicContact OE2-NE 2.99Å; E68-R71 PolarHBondContact OE2-NE 3.02Å; E68-R71 IonicContact OE2-NH2 2.68Å; L69-R71 VanDerWaalsContact C-N 3.32Å; L69-R71 PolarHBondContact O-N 2.98Å
72V97.6Very high97.9Very high36 Ų3635.1 Ų35.122%0.21817%0.173CC..Hα-helixtrans-92-33.5-176.4-57.10000113.5E68 L69 F70 I276 I288 F290E68-V72 WeakPolarHBondContact O-CG2 3.28Å; E68-V72 PolarHBondContact O-N 2.98Å; L69-V72 WeakPolarHBondContact O-CG2 3.46Å; L69-V72 PolarHBondContact O-N 3.11Å; F70-V72 VanDerWaalsContact C-N 3.32Å; F70-V72 PolarHBondContact O-N 2.63Å; V72-I276 HydrophobicContact CG2-CD1 4.06Å; V72-I288 HydrophobicContact CB-CG2 3.83Å; V72-I288 HydrophobicContact CG2-CG2 3.75Å; V72-F290 HydrophobicContact CG1-CB 4.45Å; V72-F290 HydrophobicContact CG2-CB 4.32Å; V72-F290 HydrophobicContact CG2-CD1 4.12Å; V72-F290 HydrophobicContact CG2-CG 4.28Å
73G97.8Very high98Very high5 Ų534.9 Ų34.95%0.05217%0.172CC..Hα-helixtrans-95-3.2178.900000115.3L69 T79 Y81L69-G73 PolarHBondContact O-N 3.29Å; G73-T79 WeakPolarHBondContact O-CG2 3.11Å; G73-T79 PolarHBondContact O-OG1 3.14Å; G73-T79 VanDerWaalsContact O-OG1 3.09Å; G73-Y81 VanDerWaalsContact C-OH 3.28Å; G73-Y81 PolarHBondContact O-OH 3.22Å
74G98.1Very high98Very high27 Ų2734.9 Ų34.928%0.27817%0.172SC..  trans89.8170.1-174.200000113.4F70 Y81F70-G74 CarbonylContact O-C 3.59Å; F70-G74 WeakPolarHBondContact O-CA 3.45Å; F70-G74 PolarHBondContact O-N 2.85Å; G74-Y81 PolarHBondContact O-OH 2.79Å
75D97.2Very high98.1Very high59 Ų5933 Ų3332%0.31617%0.165SC..  trans-105.2158.4-174.9-147-11.8000111.8R19 E78 T79R19-D75 IonicContact CZ-OD1 3.84Å; R19-D75 VanDerWaalsContact CZ-OD1 3.26Å; R19-D75 IonicContact CZ-OD2 2.79Å; R19-D75 VanDerWaalsContact CZ-OD2 3.29Å; R19-D75 VanDerWaalsContact NH1-CG 3.34Å; R19-D75 IonicContact NH1-OD1 3.66Å; R19-D75 PolarHBondContact NH1-OD1 3.13Å; R19-D75 IonicContact NH1-OD2 3Å; R19-D75 PolarHBondContact NH1-OD2 3.06Å; R19-D75 IonicContact NH2-OD1 2.77Å; R19-D75 PolarHBondContact NH2-OD1 3.17Å; R19-D75 IonicContact NH2-OD2 3.99Å; R19-D75 PolarHBondContact NH2-OD2 3.47Å; D75-E78 PolarHBondContact O-N 2.86Å; D75-E78 VanDerWaalsContact O-N 3.1Å; D75-T79 PolarHBondContact O-N 2.77Å
76V96.9Very high98.1Very high6 Ų633 Ų334%0.03617%0.165CC..THydrogen-bonded Turntrans-82.8131.9170.7-178.90000107.8F70 Y81 L104 Y108 R111F70-V76 HydrophobicContact CE1-CG2 4.42Å; V76-Y81 HydrophobicContact CG2-CD2 3.62Å; V76-Y81 HydrophobicContact CG2-CE2 4.11Å; V76-L104 HydrophobicContact CB-CD2 4.38Å; V76-Y108 HydrophobicContact CB-CD2 4.49Å; V76-Y108 HydrophobicContact CG1-CD2 3.44Å; V76-Y108 VanDerWaalsContact CG1-CD2 3.44Å; V76-Y108 HydrophobicContact CG1-CE2 4.15Å; V76-Y108 HydrophobicContact CG1-CG 3.81Å; V76-R111 HydrophobicContact CG1-CB 4.03Å
77P97.5Very high98.2Very high34 Ų3432.9 Ų32.922%0.22116%0.164CC..THydrogen-bonded Turncis-992.317.638-37.7000117.1Y108 R111P77-Y108 HydrophobicContact CB-CD1 3.66Å; P77-Y108 HydrophobicContact CB-CE1 3.71Å; P77-Y108 HydrophobicContact CB-CG 4.1Å; P77-Y108 HydrophobicContact CG-CD1 4.19Å; P77-Y108 HydrophobicContact CG-CE1 3.7Å; P77-R111 HydrophobicContact CB-CG 4.06Å; P77-R111 PolarHBondContact O-NH1 3.41Å
78E98.1Very high98.2Very high145 Ų14528.3 Ų28.368%0.67815%0.145SC*.THydrogen-bonded Turntrans-65-40.1-177.4-68.569.4-152.600112D75D75-E78 PolarHBondContact O-N 2.86Å; D75-E78 VanDerWaalsContact O-N 3.1Å
79T98.4Very high98.2Very high32 Ų3226.5 Ų26.520%0.19614%0.136CC..SBendtrans-101.7135.5174.4-58.50000110.8T54 G73 D75 Y81T54-T79 WeakPolarHBondContact OG1-CG2 3.46Å; G73-T79 WeakPolarHBondContact O-CG2 3.11Å; G73-T79 PolarHBondContact O-OG1 3.14Å; G73-T79 VanDerWaalsContact O-OG1 3.09Å; D75-T79 PolarHBondContact O-N 2.77Å; T79-Y81 HydrophobicContact CG2-CD2 4Å; T79-Y81 HydrophobicContact CG2-CE2 3.58Å
80N98.8Very high98Very high32 Ų3228.3 Ų28.317%0.17114%0.143CC..  trans-85.4140.5171.2-55.8-42.2000110.2P52 V53 T54 R111P52-N80 WeakPolarHBondContact O-CB 3.48Å; P52-N80 PolarHBondContact O-ND2 3.03Å; V53-N80 HydrophobicContact CB-CB 4.45Å; V53-N80 HydrophobicContact CG2-CB 4.4Å; T54-N80 PolarHBondContact N-O 2.74Å; N80-R111 CarbonylContact C-O 3.48Å; N80-R111 VanDerWaalsContact CA-O 3.23Å; N80-R111 WeakPolarHBondContact CA-O 3.36Å; N80-R111 WeakPolarHBondContact OD1-CD 3.49Å; N80-R111 PolarHBondContact OD1-NH1 3.16Å; N80-R111 VanDerWaalsContact OD1-NH1 3.15Å
81Y98.9Very high97.7Very high2 Ų227.9 Ų27.91%0.00814%0.142CC..EExtended strand (participates in β ladder)trans-126.1144.4-176.6-84-84.6000113.7T54 C56 L69 F70 G73 G74 V76 T79 F83 R111 I112 T113T54-Y81 HydrophobicContact CG2-CD1 3.98Å; T54-Y81 HydrophobicContact CG2-CE1 3.47Å; T54-Y81 VanDerWaalsContact CG2-CE1 3.47Å; T54-Y81 CarbonylContact O-C 3.49Å; T54-Y81 WeakPolarHBondContact O-CA 3.31Å; C56-Y81 VanDerWaalsContact SG-CD1 3.56Å; L69-Y81 HydrophobicContact CD2-CE1 3.71Å; F70-Y81 AromaticContact CD1-CE2 3.94Å; F70-Y81 HydrophobicContact CD1-CE2 3.94Å; F70-Y81 AromaticContact CD1-CZ 3.86Å; F70-Y81 HydrophobicContact CE1-CD2 4.3Å; F70-Y81 HydrophobicContact CE1-CE1 4.47Å; F70-Y81 AromaticContact CE1-CE2 3.95Å; F70-Y81 HydrophobicContact CE1-CE2 3.95Å; G73-Y81 VanDerWaalsContact C-OH 3.28Å; G73-Y81 PolarHBondContact O-OH 3.22Å; G74-Y81 PolarHBondContact O-OH 2.79Å; V76-Y81 HydrophobicContact CG2-CD2 3.62Å; V76-Y81 HydrophobicContact CG2-CE2 4.11Å; T79-Y81 HydrophobicContact CG2-CD2 4Å; T79-Y81 HydrophobicContact CG2-CE2 3.58Å; Y81-F83 HydrophobicContact CD1-CD2 4.49Å; Y81-F83 AromaticContact CD1-CE2 3.69Å; Y81-F83 HydrophobicContact CD1-CE2 3.69Å; Y81-F83 AromaticContact CD1-CZ 3.92Å; Y81-F83 HydrophobicContact CD1-CZ 3.92Å; Y81-F83 HydrophobicContact CE1-CZ 4.38Å; Y81-F83 AromaticContact CG-CE2 3.79Å; Y81-F83 HydrophobicContact CG-CE2 3.79Å; Y81-F83 HydrophobicContact CG-CZ 4.37Å; Y81-R111 PolarHBondContact N-O 3.41Å; Y81-I112 CarbonylContact O-C 3.54Å; Y81-I112 WeakPolarHBondContact O-CA 3.09Å; Y81-T113 PolarHBondContact O-N 3.22Å
82L98.9Very high97.5Very high0 Ų022.6 Ų22.60%012%0.123CC..EExtended strand (participates in β ladder)trans-124.6113.1163.2171.866.2000108.8V53 T54 V55 C56 T113 I115 A158 I160 C166V53-L82 HydrophobicContact CG2-CB 4.04Å; T54-L82 PolarHBondContact O-N 2.83Å; V55-L82 CarbonylContact C-O 3.47Å; V55-L82 WeakPolarHBondContact CA-O 3.5Å; V55-L82 HydrophobicContact CG1-CD2 4.27Å; V55-L82 HydrophobicContact CG2-CB 4.43Å; V55-L82 HydrophobicContact CG2-CD2 4.34Å; C56-L82 PolarHBondContact N-O 2.81Å; L82-T113 WeakPolarHBondContact CA-O 3.44Å; L82-T113 HydrophobicContact CD1-CG2 3.51Å; L82-I115 HydrophobicContact CD1-CG2 4.11Å; L82-A158 HydrophobicContact CD1-CB 3.8Å; L82-A158 HydrophobicContact CD2-CB 3.97Å; L82-I160 HydrophobicContact CD2-CD1 3.94Å; L82-I160 HydrophobicContact CD2-CG1 4.22Å; L82-C166 HydrophobicContact CD2-CB 3.59Å; L82-C166 VanDerWaalsContact CD2-SG 3.5Å
83F98.9Very high97.5Very high0 Ų022.4 Ų22.40%012%0.119CC..EExtended strand (participates in β ladder)trans-100129.1173.4-67.8-103.5000111.3C56 I59 L66 L69 F70 Y81 G85 F87 L101 I112 T113 L114 I115C56-F83 HydrophobicContact CB-CD1 3.49Å; C56-F83 VanDerWaalsContact CB-CD1 3.49Å; C56-F83 HydrophobicContact CB-CE1 3.73Å; C56-F83 HydrophobicContact CB-CG 4.03Å; C56-F83 HydrophobicContact CB-CZ 4.43Å; I59-F83 HydrophobicContact CD1-CD1 4.24Å; I59-F83 HydrophobicContact CD1-CE1 4.12Å; I59-F83 HydrophobicContact CG1-CD1 4.17Å; I59-F83 HydrophobicContact CG1-CE1 4.38Å; L66-F83 HydrophobicContact CD1-CE1 3.83Å; L66-F83 HydrophobicContact CD1-CZ 4.14Å; L69-F83 HydrophobicContact CD1-CE1 4.27Å; L69-F83 HydrophobicContact CD2-CE1 4.29Å; L69-F83 HydrophobicContact CD2-CZ 4.12Å; F70-F83 HydrophobicContact CE1-CE2 4.45Å; F70-F83 AromaticContact CE1-CZ 3.98Å; F70-F83 HydrophobicContact CE1-CZ 3.98Å; F70-F83 HydrophobicContact CZ-CE2 4.5Å; F70-F83 AromaticContact CZ-CZ 3.94Å; F70-F83 HydrophobicContact CZ-CZ 3.94Å; Y81-F83 HydrophobicContact CD1-CD2 4.49Å; Y81-F83 AromaticContact CD1-CE2 3.69Å; Y81-F83 HydrophobicContact CD1-CE2 3.69Å; Y81-F83 AromaticContact CD1-CZ 3.92Å; Y81-F83 HydrophobicContact CD1-CZ 3.92Å; Y81-F83 HydrophobicContact CE1-CZ 4.38Å; Y81-F83 AromaticContact CG-CE2 3.79Å; Y81-F83 HydrophobicContact CG-CE2 3.79Å; Y81-F83 HydrophobicContact CG-CZ 4.37Å; F83-G85 VanDerWaalsContact C-N 3.3Å; F83-G85 PolarHBondContact O-N 2.84Å; F83-F87 HydrophobicContact CB-CE1 3.63Å; F83-F87 HydrophobicContact CB-CZ 4.26Å; F83-F87 HydrophobicContact CG-CE1 4.4Å; F83-L101 HydrophobicContact CD1-CD1 4.49Å; F83-L101 HydrophobicContact CD1-CD2 4.37Å; F83-L101 HydrophobicContact CD2-CD2 4.22Å; F83-L101 HydrophobicContact CE1-CD2 4Å; F83-L101 HydrophobicContact CE2-CD2 3.82Å; F83-L101 HydrophobicContact CG-CD2 4.49Å; F83-L101 HydrophobicContact CZ-CD2 3.72Å; F83-I112 HydrophobicContact CD2-CD1 3.97Å; F83-I112 HydrophobicContact CD2-CG1 4.07Å; F83-I112 HydrophobicContact CE2-CD1 3.73Å; F83-I112 HydrophobicContact CE2-CG1 4.17Å; F83-T113 PolarHBondContact N-O 3.34Å; F83-L114 HydrophobicContact CB-CD2 3.97Å; F83-L114 HydrophobicContact CD2-CD2 3.96Å; F83-L114 HydrophobicContact CG-CD2 4.21Å; F83-I115 WeakPolarHBondContact O-CG1 3.45Å; F83-I115 PolarHBondContact O-N 3.2Å
84M98.9Very high97.5Very high0 Ų022.1 Ų22.10%012%0.116CC..  trans-89.232.2-173.1-62.8-171.7-66.200114.6V55 C56 I115 C166 H168 R240 A241 V260V55-M84 HydrophobicContact CG1-CE 3.7Å; V55-M84 HydrophobicContact CG1-CG 4.1Å; V55-M84 HydrophobicContact CG1-SD 3.79Å; C56-M84 WeakPolarHBondContact O-CB 3.46Å; C56-M84 WeakPolarHBondContact O-CG 3.47Å; C56-M84 PolarHBondContact O-N 2.92Å; M84-I115 VanDerWaalsContact CA-CG1 3.49Å; M84-I115 HydrophobicContact CB-CD1 4.11Å; M84-I115 HydrophobicContact CB-CG1 4.31Å; M84-I115 HydrophobicContact CG-CD1 4.05Å; M84-I115 HydrophobicContact CG-CG1 4.49Å; M84-C166 HydrophobicContact SD-CB 4.26Å; M84-H168 VanDerWaalsContact O-CB 3.24Å; M84-H168 WeakPolarHBondContact O-CB 3.46Å; M84-H168 VanDerWaalsContact O-CG 3.29Å; M84-H168 PolarHBondContact O-ND1 3.15Å; M84-R240 WeakPolarHBondContact CE-O 3.21Å; M84-A241 HydrophobicContact CB-CB 3.94Å; M84-A241 HydrophobicContact CE-CB 4.1Å; M84-V260 HydrophobicContact CE-CB 3.91Å; M84-V260 HydrophobicContact CE-CG2 4.26Å
85G98.6Very high97.5Very high0 Ų020.9 Ų20.90%010%0.103CC..SBendtrans85.9-170.8175.400000114.9F83 I115F83-G85 VanDerWaalsContact C-N 3.3Å; F83-G85 PolarHBondContact O-N 2.84Å; G85-I115 WeakPolarHBondContact CA-O 3.21Å; G85-I115 PolarHBondContact N-O 3.14Å
86D98.8Very high97.6Very high1 Ų118.4 Ų18.41%0.0059%0.09CC..  trans55.156-178-81.118000112D58 I59 H60 G117 N118 H119 E120 H168D58-D86 HydrophobicContact CB-CB 4Å; I59-D86 PolarHBondContact N-O 3.24Å; H60-D86 IonicContact CE1-OD2 3.77Å; H60-D86 PolarHBondContact CE1-OD2 3.42Å; H60-D86 VanDerWaalsContact CE1-OD2 3.26Å; H60-D86 PolarHBondContact N-O 3.38Å; H60-D86 IonicContact NE2-OD2 2.67Å; D86-G117 WeakPolarHBondContact OD1-CA 3.35Å; D86-N118 PolarHBondContact OD1-N 2.98Å; D86-N118 PolarHBondContact OD1-OD1 3.33Å; D86-N118 PolarHBondContact OD2-OD1 3.04Å; D86-H119 WeakPolarHBondContact OD1-CB 3.09Å; D86-H119 IonicContact OD1-CD2 2.81Å; D86-H119 IonicContact OD1-CG 3.98Å; D86-H119 PolarHBondContact OD1-N 2.9Å; D86-H119 IonicContact OD2-CD2 3.88Å; D86-H119 PolarHBondContact OD2-CD2 3.03Å; D86-H119 IonicContact OD2-CG 3.55Å; D86-E120 PolarHBondContact N-OE2 2.85Å; D86-H168 IonicContact OD1-CE1 2.63Å; D86-H168 PolarHBondContact OD1-CE1 3.48Å; D86-H168 IonicContact OD1-NE2 2.84Å; D86-H168 PolarHBondContact OD1-NE2 3.33Å; D86-H168 IonicContact OD2-CE1 3.79Å; D86-H168 PolarHBondContact OD2-CE1 3.18Å; D86-H168 IonicContact OD2-NE2 3.43Å; D86-H168 PolarHBondContact OD2-NE2 3.25Å
87F98.9Very high97.7Very high0 Ų018.1 Ų18.10%09%0.088CC..  trans-77.4-31.3176.9-47.7-56.4000111.8G61 F83 T97 F98 L101 L114 I115 E120 L154G61-F87 PolarHBondContact N-O 3.43Å; F83-F87 HydrophobicContact CB-CE1 3.63Å; F83-F87 HydrophobicContact CB-CZ 4.26Å; F83-F87 HydrophobicContact CG-CE1 4.4Å; F87-T97 WeakPolarHBondContact O-CG2 3.43Å; F87-F98 HydrophobicContact CB-CB 4.45Å; F87-F98 HydrophobicContact CB-CD2 4.13Å; F87-F98 AromaticContact CD2-CD2 3.77Å; F87-F98 HydrophobicContact CD2-CD2 3.77Å; F87-F98 HydrophobicContact CD2-CE2 4.02Å; F87-F98 HydrophobicContact CE2-CE2 4.49Å; F87-F98 HydrophobicContact CG-CD2 4.19Å; F87-L101 HydrophobicContact CB-CD1 4.41Å; F87-L101 HydrophobicContact CD1-CD1 3.44Å; F87-L101 VanDerWaalsContact CD1-CD1 3.44Å; F87-L101 HydrophobicContact CE1-CD1 3.94Å; F87-L101 HydrophobicContact CG-CD1 4.07Å; F87-L114 HydrophobicContact CE1-CD2 4.25Å; F87-L114 HydrophobicContact CE2-CB 4.45Å; F87-L114 HydrophobicContact CZ-CB 3.98Å; F87-L114 HydrophobicContact CZ-CD2 4.11Å; F87-I115 WeakPolarHBondContact CZ-O 3.3Å; F87-E120 HydrophobicContact CD2-CG 3.89Å; F87-E120 WeakPolarHBondContact CD2-OE1 3.45Å; F87-E120 HydrophobicContact CE2-CG 4.32Å; F87-E120 PolarHBondContact N-OE1 3.08Å; F87-L154 HydrophobicContact CE2-CD1 4.06Å
88V98.8Very high97.7Very high0 Ų016.5 Ų16.50%08%0.077CC..SBendtrans-113177.6-169.1-57.60000112.9H60 F98 H119 E120 T125 F130 F151H60-V88 PolarHBondContact ND1-O 2.83Å; V88-F98 HydrophobicContact CG1-CB 3.87Å; V88-F98 HydrophobicContact CG1-CG 4.35Å; V88-H119 HydrophobicContact CG2-CB 4.27Å; V88-E120 PolarHBondContact N-OE1 3.48Å; V88-T125 HydrophobicContact CG2-CG2 3.79Å; V88-F130 HydrophobicContact CB-CB 4.11Å; V88-F130 HydrophobicContact CB-CD1 4.36Å; V88-F130 HydrophobicContact CB-CD2 4.04Å; V88-F130 HydrophobicContact CB-CE2 4.49Å; V88-F130 HydrophobicContact CB-CG 3.93Å; V88-F130 HydrophobicContact CG1-CD1 4.35Å; V88-F130 HydrophobicContact CG1-CD2 3.95Å; V88-F130 HydrophobicContact CG1-CE1 4.34Å; V88-F130 HydrophobicContact CG1-CE2 3.89Å; V88-F130 HydrophobicContact CG1-CG 4.14Å; V88-F130 HydrophobicContact CG1-CZ 4.1Å; V88-F130 HydrophobicContact CG2-CB 4.33Å; V88-F130 HydrophobicContact CG2-CD1 4.34Å; V88-F130 HydrophobicContact CG2-CG 4.28Å; V88-F151 HydrophobicContact CG1-CZ 4.08Å; V88-F151 HydrophobicContact CG2-CE2 4.49Å; V88-F151 HydrophobicContact CG2-CZ 4.22Å
89D97.9Very high97.8Very high0 Ų09.6 Ų9.60%05%0.045CC..SBendtrans66.2165-178-68.8-35.8000114.5H60 G91 S94 H119 T125 Y128 G129 F130H60-D89 CarbonylContact C-O 3.5Å; H60-D89 WeakPolarHBondContact CA-O 3.35Å; H60-D89 WeakPolarHBondContact CB-O 3.43Å; H60-D89 VanDerWaalsContact O-O 3.06Å; D89-G91 PolarHBondContact O-N 2.9Å; D89-S94 PolarHBondContact N-OG 3.02Å; D89-H119 VanDerWaalsContact CB-ND1 3.28Å; D89-H119 WeakPolarHBondContact CB-ND1 3.34Å; D89-H119 IonicContact OD2-CE1 3.85Å; D89-H119 IonicContact OD2-CG 3.69Å; D89-H119 IonicContact OD2-ND1 3.02Å; D89-H119 PolarHBondContact OD2-ND1 3.38Å; D89-T125 WeakPolarHBondContact OD2-CA 3.26Å; D89-Y128 WeakPolarHBondContact CB-O 3.22Å; D89-G129 PolarHBondContact OD1-N 2.83Å; D89-F130 WeakPolarHBondContact OD1-CB 3.49Å; D89-F130 PolarHBondContact OD1-N 3.48Å
90R93Very high97.8Very high39 Ų398.1 Ų8.115%0.1474%0.036CC..SBendtrans65.6-61.7-178.4-44.3-65.5-144.4159.89.8113.2H60 Y128 Y266 Y309 F310 L311H60-R90 HydrophobicContact CB-CB 4.34Å; R90-Y128 PolarHBondContact N-O 3.23Å; R90-Y266 HydrophobicContact CB-CE2 4.26Å; R90-Y266 HydrophobicContact CG-CE2 4.27Å; R90-Y266 WeakPolarHBondContact CG-OH 3.46Å; R90-Y309 WeakPolarHBondContact CD-O 3.4Å; R90-Y309 PolarHBondContact NH1-O 3.29Å; R90-F310 WeakPolarHBondContact O-CE1 3.38Å; R90-F310 WeakPolarHBondContact O-CZ 3.31Å; R90-L311 PolarHBondContact NH1-O 3.38Å
91G92.7Very high97.8Very high2 Ų26.6 Ų6.62%0.0213%0.028CC..SBendtrans-68.5159.5176.900000113.6H60 D89 Y93 S94H60-G91 WeakPolarHBondContact O-CA 3.06Å; H60-G91 PolarHBondContact O-N 2.85Å; D89-G91 PolarHBondContact O-N 2.9Å; G91-Y93 VanDerWaalsContact C-N 3.3Å; G91-Y93 PolarHBondContact O-N 3.42Å; G91-S94 PolarHBondContact O-OG 2.88Å
92F92.9Very high97.8Very high55 Ų556.5 Ų6.524%0.2413%0.028CC..THydrogen-bonded Turntrans-80.1-6.6-176.9-62.9-64.6000115.3K137 Y268 P301 F310F92-K137 PolarHBondContact O-NZ 3.13Å; F92-Y268 HydrophobicContact CD2-CD2 4.49Å; F92-Y268 AromaticContact CD2-CE2 3.5Å; F92-Y268 HydrophobicContact CD2-CE2 3.5Å; F92-Y268 AromaticContact CD2-CZ 3.76Å; F92-Y268 WeakPolarHBondContact CD2-OH 3.38Å; F92-Y268 AromaticContact CE2-CD2 3.93Å; F92-Y268 HydrophobicContact CE2-CD2 3.93Å; F92-Y268 AromaticContact CE2-CE2 3.33Å; F92-Y268 HydrophobicContact CE2-CE2 3.33Å; F92-Y268 HydrophobicContact CZ-CE2 4.24Å; F92-Y268 PolarHBondContact N-OH 3.22Å; F92-P301 HydrophobicContact CD2-CB 4.33Å; F92-P301 HydrophobicContact CD2-CG 4.27Å; F92-P301 HydrophobicContact CE2-CB 4.26Å; F92-P301 HydrophobicContact CE2-CG 4.22Å; F92-F310 HydrophobicContact CD1-CZ 4.17Å; F92-F310 HydrophobicContact CD2-CZ 4.46Å; F92-F310 AromaticContact CE1-CE2 3.61Å; F92-F310 HydrophobicContact CE1-CE2 3.61Å; F92-F310 AromaticContact CE1-CZ 3.55Å; F92-F310 HydrophobicContact CE1-CZ 3.55Å; F92-F310 HydrophobicContact CE2-CE2 4.42Å; F92-F310 AromaticContact CE2-CZ 3.87Å; F92-F310 HydrophobicContact CE2-CZ 3.87Å; F92-F310 AromaticContact CZ-CE2 3.52Å; F92-F310 HydrophobicContact CZ-CE2 3.52Å; F92-F310 AromaticContact CZ-CZ 3.37Å; F92-F310 HydrophobicContact CZ-CZ 3.37Å
93Y96.9Very high97.8Very high31 Ų316.5 Ų6.512%0.1223%0.028CC..THydrogen-bonded Turntrans-129.336.5-169.2-51.9-83.3000112.1C21 G61 F63 Y64 G91 V95 E96 T97 E133 G299C21-Y93 VanDerWaalsContact SG-CD1 3.55Å; G61-Y93 CarbonylContact O-C 3.17Å; G61-Y93 WeakPolarHBondContact O-CA 3.41Å; G61-Y93 WeakPolarHBondContact O-CB 3.22Å; G61-Y93 PolarHBondContact O-N 3.32Å; F63-Y93 VanDerWaalsContact CB-CB 3.44Å; F63-Y93 HydrophobicContact CB-CD2 4.47Å; F63-Y93 HydrophobicContact CB-CG 4.09Å; Y64-Y93 HydrophobicContact CD2-CD2 4.36Å; Y64-Y93 HydrophobicContact CD2-CE2 4.11Å; Y64-Y93 HydrophobicContact CE2-CD2 4.17Å; Y64-Y93 HydrophobicContact CE2-CE1 4.24Å; Y64-Y93 AromaticContact CE2-CE2 3.69Å; Y64-Y93 HydrophobicContact CE2-CE2 3.69Å; Y64-Y93 AromaticContact CE2-CZ 3.74Å; G91-Y93 VanDerWaalsContact C-N 3.3Å; G91-Y93 PolarHBondContact O-N 3.42Å; Y93-V95 VanDerWaalsContact C-N 3.26Å; Y93-V95 PolarHBondContact O-N 2.87Å; Y93-E96 VanDerWaalsContact CA-OE2 3.24Å; Y93-E96 WeakPolarHBondContact CA-OE2 3.36Å; Y93-E96 PolarHBondContact O-N 3.44Å; Y93-T97 WeakPolarHBondContact O-CB 3.32Å; Y93-T97 PolarHBondContact O-N 2.97Å; Y93-T97 PolarHBondContact O-OG1 3.49Å; Y93-E133 WeakPolarHBondContact CA-OE1 3.19Å; Y93-G299 PolarHBondContact OH-O 2.84Å
94S98.6Very high97.8Very high0 Ų06.5 Ų6.50%03%0.028CC..Hα-helixtrans-61.5-35.4177.5-56.70000111.9D89 G91 F98 E133D89-S94 PolarHBondContact N-OG 3.02Å; G91-S94 PolarHBondContact O-OG 2.88Å; S94-F98 WeakPolarHBondContact O-CB 3.48Å; S94-F98 PolarHBondContact O-N 2.89Å; S94-E133 WeakPolarHBondContact CB-OE2 3.28Å; S94-E133 VanDerWaalsContact N-CD 3.33Å; S94-E133 PolarHBondContact N-OE1 3.26Å; S94-E133 PolarHBondContact N-OE2 3.42Å; S94-E133 PolarHBondContact OG-OE2 3.26Å
95V98.5Very high97.8Very high0 Ų06.6 Ų6.60%03%0.028CC..Hα-helixtrans-66.7-49.8178.9179.30000111.2L23 Y93 T97 L99 F130 E133 K137 Y138L23-V95 HydrophobicContact CD2-CG1 4.1Å; Y93-V95 VanDerWaalsContact C-N 3.26Å; Y93-V95 PolarHBondContact O-N 2.87Å; V95-T97 VanDerWaalsContact C-N 3.31Å; V95-T97 PolarHBondContact O-N 3.38Å; V95-L99 HydrophobicContact CG1-CD1 3.52Å; V95-L99 HydrophobicContact CG1-CG 4.13Å; V95-L99 VanDerWaalsContact O-CB 3.22Å; V95-L99 WeakPolarHBondContact O-CB 3.26Å; V95-L99 WeakPolarHBondContact O-CG 3.26Å; V95-L99 PolarHBondContact O-N 3.16Å; V95-F130 HydrophobicContact CB-CE2 4.44Å; V95-F130 HydrophobicContact CG2-CD2 4.19Å; V95-F130 HydrophobicContact CG2-CE2 3.69Å; V95-E133 WeakPolarHBondContact CB-OE1 3.47Å; V95-E133 HydrophobicContact CG2-CG 3.91Å; V95-E133 WeakPolarHBondContact CG2-OE1 3.37Å; V95-E133 PolarHBondContact N-OE1 3.39Å; V95-K137 HydrophobicContact CB-CD 4.34Å; V95-K137 HydrophobicContact CG2-CD 4.34Å; V95-Y138 HydrophobicContact CG1-CE2 3.75Å
96E98.6Very high97.8Very high8 Ų87.2 Ų7.24%0.0373%0.032CC..Hα-helixtrans-64.4-40.2177.8-61.185.516600111L23 F63 Y93 L100 K137L23-E96 HydrophobicContact CD2-CG 3.99Å; L23-E96 WeakPolarHBondContact CD2-OE1 3.39Å; F63-E96 HydrophobicContact CD2-CB 3.69Å; F63-E96 HydrophobicContact CE2-CB 3.94Å; F63-E96 HydrophobicContact CG-CB 4.25Å; Y93-E96 VanDerWaalsContact CA-OE2 3.24Å; Y93-E96 WeakPolarHBondContact CA-OE2 3.36Å; Y93-E96 PolarHBondContact O-N 3.44Å; E96-L100 WeakPolarHBondContact O-CB 2.93Å; E96-L100 PolarHBondContact O-N 3.42Å; E96-K137 WeakPolarHBondContact OE1-CE 2.99Å; E96-K137 IonicContact OE1-NZ 3.47Å; E96-K137 PolarHBondContact OE1-NZ 3.37Å; E96-K137 IonicContact OE2-NZ 3.46Å; E96-K137 PolarHBondContact OE2-NZ 3.42Å
97T98.8Very high97.8Very high0 Ų010.6 Ų10.60%04%0.044CC..Hα-helixtrans-59.2-57.9177.6-62.10000111.2I59 L66 F87 Y93 V95 L100 L101I59-T97 HydrophobicContact CB-CG2 4.33Å; I59-T97 HydrophobicContact CG2-CG2 3.55Å; L66-T97 HydrophobicContact CD2-CG2 4.1Å; F87-T97 WeakPolarHBondContact O-CG2 3.43Å; Y93-T97 WeakPolarHBondContact O-CB 3.32Å; Y93-T97 PolarHBondContact O-N 2.97Å; Y93-T97 PolarHBondContact O-OG1 3.49Å; V95-T97 VanDerWaalsContact C-N 3.31Å; V95-T97 PolarHBondContact O-N 3.38Å; T97-L100 PolarHBondContact O-N 2.94Å; T97-L101 HydrophobicContact CG2-CD1 4.39Å; T97-L101 WeakPolarHBondContact O-CG 3.46Å; T97-L101 PolarHBondContact O-N 2.93Å; T97-L101 VanDerWaalsContact O-N 3.16Å
98F98.9Very high97.7Very high0 Ų012.9 Ų12.90%05%0.053CC..Hα-helixtrans-67-42.2-177.4-179.5-113.7000111.9F87 V88 S94 L100 L101 L102 C147 I150 F151F87-F98 HydrophobicContact CB-CB 4.45Å; F87-F98 HydrophobicContact CB-CD2 4.13Å; F87-F98 AromaticContact CD2-CD2 3.77Å; F87-F98 HydrophobicContact CD2-CD2 3.77Å; F87-F98 HydrophobicContact CD2-CE2 4.02Å; F87-F98 HydrophobicContact CE2-CE2 4.49Å; F87-F98 HydrophobicContact CG-CD2 4.19Å; V88-F98 HydrophobicContact CG1-CB 3.87Å; V88-F98 HydrophobicContact CG1-CG 4.35Å; S94-F98 WeakPolarHBondContact O-CB 3.48Å; S94-F98 PolarHBondContact O-N 2.89Å; F98-L100 VanDerWaalsContact C-N 3.34Å; F98-L100 PolarHBondContact O-N 3.16Å; F98-L101 PolarHBondContact O-N 2.98Å; F98-L102 HydrophobicContact CE1-CD2 4.04Å; F98-L102 HydrophobicContact CZ-CD1 4.26Å; F98-L102 HydrophobicContact CZ-CD2 4.24Å; F98-L102 VanDerWaalsContact O-CB 3.26Å; F98-L102 WeakPolarHBondContact O-CB 3.34Å; F98-L102 PolarHBondContact O-N 3.13Å; F98-C147 HydrophobicContact CD1-CB 4.04Å; F98-C147 HydrophobicContact CE1-CB 3.85Å; F98-I150 HydrophobicContact CZ-CB 4.43Å; F98-I150 HydrophobicContact CZ-CG2 3.97Å; F98-F151 AromaticContact CD1-CE1 3.89Å; F98-F151 HydrophobicContact CD1-CE1 3.89Å; F98-F151 HydrophobicContact CD1-CZ 4.49Å; F98-F151 AromaticContact CD2-CE1 3.96Å; F98-F151 HydrophobicContact CD2-CE1 3.96Å; F98-F151 HydrophobicContact CE1-CD1 4.17Å; F98-F151 AromaticContact CE1-CE1 3.53Å; F98-F151 HydrophobicContact CE1-CE1 3.53Å; F98-F151 HydrophobicContact CE1-CZ 4.43Å; F98-F151 HydrophobicContact CE2-CD1 4.03Å; F98-F151 AromaticContact CE2-CE1 3.61Å; F98-F151 HydrophobicContact CE2-CE1 3.61Å; F98-F151 HydrophobicContact CG-CE1 4.1Å; F98-F151 AromaticContact CZ-CD1 3.69Å; F98-F151 HydrophobicContact CZ-CD1 3.69Å; F98-F151 AromaticContact CZ-CE1 3.39Å; F98-F151 HydrophobicContact CZ-CE1 3.39Å
99L98.9Very high97.7Very high0 Ų015 Ų150%07%0.067CC..Hα-helixtrans-66.5-34.6179.6-66.7178.6000112.5L18 I24 V29 L32 V95 A103L18-L99 HydrophobicContact CD1-CB 4.01Å; L18-L99 HydrophobicContact CD2-CB 3.85Å; L18-L99 HydrophobicContact CD2-CD1 4.45Å; I24-L99 HydrophobicContact CD1-CD1 4.38Å; I24-L99 HydrophobicContact CG1-CD1 4.12Å; V29-L99 HydrophobicContact CG1-CD2 3.89Å; V29-L99 HydrophobicContact CG2-CD1 3.79Å; V29-L99 HydrophobicContact CG2-CD2 4.33Å; L32-L99 HydrophobicContact CD2-CD2 4.24Å; V95-L99 HydrophobicContact CG1-CD1 3.52Å; V95-L99 HydrophobicContact CG1-CG 4.13Å; V95-L99 VanDerWaalsContact O-CB 3.22Å; V95-L99 WeakPolarHBondContact O-CB 3.26Å; V95-L99 WeakPolarHBondContact O-CG 3.26Å; V95-L99 PolarHBondContact O-N 3.16Å; L99-A103 WeakPolarHBondContact O-CB 3.16Å; L99-A103 PolarHBondContact O-N 3.32Å
100L98.9Very high97.6Very high1 Ų122.2 Ų22.21%0.00511%0.105CC..Hα-helixtrans-64.2-50.5174.3177.558.9000110.8I15 L18 R19 F63 L66 F70 E96 T97 F98 L102 A103 L104I15-L100 HydrophobicContact CG2-CD1 4.28Å; L18-L100 HydrophobicContact CB-CB 4.17Å; L18-L100 HydrophobicContact CB-CD1 4.06Å; R19-L100 HydrophobicContact CG-CD1 3.91Å; R19-L100 HydrophobicContact CG-CD2 4.41Å; F63-L100 HydrophobicContact CE2-CB 4.39Å; F63-L100 HydrophobicContact CE2-CD2 3.7Å; F63-L100 HydrophobicContact CZ-CD2 4.15Å; L66-L100 HydrophobicContact CD2-CD2 4.28Å; F70-L100 HydrophobicContact CE2-CD2 4.4Å; E96-L100 WeakPolarHBondContact O-CB 2.93Å; E96-L100 PolarHBondContact O-N 3.42Å; T97-L100 PolarHBondContact O-N 2.94Å; F98-L100 VanDerWaalsContact C-N 3.34Å; F98-L100 PolarHBondContact O-N 3.16Å; L100-L102 VanDerWaalsContact C-N 3.3Å; L100-L102 PolarHBondContact O-N 3.03Å; L100-A103 PolarHBondContact O-N 2.86Å; L100-L104 HydrophobicContact CD1-CD1 4.19Å; L100-L104 HydrophobicContact CD1-CG 4.25Å; L100-L104 HydrophobicContact CG-CD1 4.16Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.5Å; L100-L104 PolarHBondContact O-N 3Å
101L98.9Very high97.9Very high0 Ų025.5 Ų25.50%012%0.118CC..Hα-helixtrans-60.2-41.3178.1-67.3173.8000111.5L66 F70 F83 F87 T97 F98 L104 K105 I112 L114L66-L101 HydrophobicContact CD1-CD2 4.35Å; L66-L101 HydrophobicContact CD2-CD2 4.29Å; L66-L101 HydrophobicContact CD2-CG 4.25Å; F70-L101 HydrophobicContact CZ-CD2 4.1Å; F83-L101 HydrophobicContact CD1-CD1 4.49Å; F83-L101 HydrophobicContact CD1-CD2 4.37Å; F83-L101 HydrophobicContact CD2-CD2 4.22Å; F83-L101 HydrophobicContact CE1-CD2 4Å; F83-L101 HydrophobicContact CE2-CD2 3.82Å; F83-L101 HydrophobicContact CG-CD2 4.49Å; F83-L101 HydrophobicContact CZ-CD2 3.72Å; F87-L101 HydrophobicContact CB-CD1 4.41Å; F87-L101 HydrophobicContact CD1-CD1 3.44Å; F87-L101 VanDerWaalsContact CD1-CD1 3.44Å; F87-L101 HydrophobicContact CE1-CD1 3.94Å; F87-L101 HydrophobicContact CG-CD1 4.07Å; T97-L101 HydrophobicContact CG2-CD1 4.39Å; T97-L101 WeakPolarHBondContact O-CG 3.46Å; T97-L101 PolarHBondContact O-N 2.93Å; T97-L101 VanDerWaalsContact O-N 3.16Å; F98-L101 PolarHBondContact O-N 2.98Å; L101-L104 PolarHBondContact O-N 2.97Å; L101-K105 WeakPolarHBondContact O-CB 3.41Å; L101-K105 PolarHBondContact O-N 3.25Å; L101-I112 HydrophobicContact CD2-CD1 4.1Å; L101-L114 HydrophobicContact CB-CD1 4.24Å; L101-L114 HydrophobicContact CB-CD2 4.25Å
102L98.9Very high98.2Very high0 Ų025.4 Ų25.40%012%0.117CC..Hα-helixtrans-66.4-41.1177.1-165.766.2000112.3L32 A36 F98 L100 K105 V106 I150L32-L102 HydrophobicContact CD2-CB 4.41Å; L32-L102 HydrophobicContact CD2-CD2 4.28Å; L32-L102 HydrophobicContact CD2-CG 4.47Å; L32-L102 HydrophobicContact CG-CD2 4.12Å; L32-L102 HydrophobicContact CG-CG 4.31Å; A36-L102 HydrophobicContact CB-CD1 3.46Å; A36-L102 VanDerWaalsContact CB-CD1 3.46Å; A36-L102 HydrophobicContact CB-CD2 4.1Å; A36-L102 HydrophobicContact CB-CG 3.81Å; F98-L102 HydrophobicContact CE1-CD2 4.04Å; F98-L102 HydrophobicContact CZ-CD1 4.26Å; F98-L102 HydrophobicContact CZ-CD2 4.24Å; F98-L102 VanDerWaalsContact O-CB 3.26Å; F98-L102 WeakPolarHBondContact O-CB 3.34Å; F98-L102 PolarHBondContact O-N 3.13Å; L100-L102 VanDerWaalsContact C-N 3.3Å; L100-L102 PolarHBondContact O-N 3.03Å; L102-K105 WeakPolarHBondContact O-CB 3.3Å; L102-K105 PolarHBondContact O-N 3.03Å; L102-V106 WeakPolarHBondContact O-CG2 3.49Å; L102-V106 PolarHBondContact O-N 3.45Å; L102-I150 HydrophobicContact CD1-CG2 3.84Å; L102-I150 HydrophobicContact CD2-CG2 4.3Å
103A98.8Very high98.5Very high0 Ų023.4 Ų23.40%011%0.109CC..Hα-helixtrans-64.2-42.2175.800000111.8L11 I15 L18 L32 L99 L100 K105 V106 R107L11-A103 HydrophobicContact CD1-CB 4.16Å; I15-A103 HydrophobicContact CD1-CB 4.43Å; I15-A103 HydrophobicContact CG1-CB 3.66Å; L18-A103 HydrophobicContact CD1-CB 4.11Å; L32-A103 HydrophobicContact CD1-CB 4.16Å; L32-A103 HydrophobicContact CD2-CB 4.08Å; L99-A103 WeakPolarHBondContact O-CB 3.16Å; L99-A103 PolarHBondContact O-N 3.32Å; L100-A103 PolarHBondContact O-N 2.86Å; A103-K105 VanDerWaalsContact C-N 3.33Å; A103-K105 PolarHBondContact O-N 3.38Å; A103-V106 PolarHBondContact O-N 2.82Å; A103-R107 VanDerWaalsContact O-CB 3.27Å; A103-R107 WeakPolarHBondContact O-CB 3.41Å; A103-R107 PolarHBondContact O-N 3.2Å
104L98.8Very high98.6Very high0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-61.8-41172.5-68.2171.7000111.4I15 F70 V76 L100 L101 R107 Y108 I112I15-L104 HydrophobicContact CD1-CD2 4.32Å; I15-L104 HydrophobicContact CG2-CD2 4.11Å; F70-L104 HydrophobicContact CE2-CD1 4.33Å; F70-L104 HydrophobicContact CZ-CD1 3.92Å; V76-L104 HydrophobicContact CB-CD2 4.38Å; L100-L104 HydrophobicContact CD1-CD1 4.19Å; L100-L104 HydrophobicContact CD1-CG 4.25Å; L100-L104 HydrophobicContact CG-CD1 4.16Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.5Å; L100-L104 PolarHBondContact O-N 3Å; L101-L104 PolarHBondContact O-N 2.97Å; L104-R107 PolarHBondContact O-N 3.45Å; L104-Y108 HydrophobicContact CD2-CD2 4.3Å; L104-Y108 HydrophobicContact CD2-CE2 4.32Å; L104-Y108 PolarHBondContact O-N 2.88Å; L104-I112 HydrophobicContact CB-CD1 4.23Å; L104-I112 HydrophobicContact CB-CG2 4.42Å
105K98.8Very high98.6Very high2 Ų222 Ų221%0.00910%0.104CC..Hα-helixtrans-60.8-44.7174.5178.962.3-177.11780112.8E43 L101 L102 A103 R107 Y108 P109 I112 L114E43-K105 WeakPolarHBondContact OE1-CE 3.06Å; E43-K105 IonicContact OE1-NZ 3.62Å; E43-K105 PolarHBondContact OE1-NZ 3.4Å; L101-K105 WeakPolarHBondContact O-CB 3.41Å; L101-K105 PolarHBondContact O-N 3.25Å; L102-K105 WeakPolarHBondContact O-CB 3.3Å; L102-K105 PolarHBondContact O-N 3.03Å; A103-K105 VanDerWaalsContact C-N 3.33Å; A103-K105 PolarHBondContact O-N 3.38Å; K105-R107 VanDerWaalsContact C-N 3.31Å; K105-R107 PolarHBondContact O-N 3.48Å; K105-Y108 CarbonylContact O-C 3.57Å; K105-P109 PolarHBondContact NZ-O 3.17Å; K105-P109 WeakPolarHBondContact O-CA 3.33Å; K105-I112 HydrophobicContact CB-CG2 3.98Å; K105-I112 HydrophobicContact CD-CG2 4.01Å; K105-I112 WeakPolarHBondContact CD-O 3.26Å; K105-I112 PolarHBondContact NZ-O 3.27Å; K105-L114 HydrophobicContact CB-CD1 3.99Å; K105-L114 HydrophobicContact CG-CD1 4.41Å
106V98.6Very high98.6Very high13 Ų1322 Ų228%0.07910%0.104CC..Hα-helixtrans-66.8-36.4177.5174.50000111.3L11 L32 K35 A36 I39 L102 A103L11-V106 HydrophobicContact CD2-CB 4.22Å; L11-V106 HydrophobicContact CD2-CG1 3.71Å; L32-V106 HydrophobicContact CD1-CB 4Å; L32-V106 HydrophobicContact CD1-CG1 4.44Å; L32-V106 HydrophobicContact CD1-CG2 3.72Å; K35-V106 HydrophobicContact CB-CG1 3.76Å; K35-V106 HydrophobicContact CB-CG2 4.26Å; K35-V106 HydrophobicContact CD-CG1 4.18Å; A36-V106 HydrophobicContact CB-CG2 3.68Å; I39-V106 HydrophobicContact CD1-CB 4.33Å; I39-V106 HydrophobicContact CD1-CG1 4.36Å; I39-V106 HydrophobicContact CD1-CG2 4.23Å; L102-V106 WeakPolarHBondContact O-CG2 3.49Å; L102-V106 PolarHBondContact O-N 3.45Å; A103-V106 PolarHBondContact O-N 2.82Å
107R98.3Very high98.6Very high71 Ų7121.6 Ų21.627%0.26810%0.102SC..Hα-helixtrans-78.8-34-176.8-178.458.1-17875.26.2113.7L11 D12 I15 A103 L104 K105L11-R107 HydrophobicContact CD2-CB 3.68Å; L11-R107 HydrophobicContact CD2-CG 4.36Å; L11-R107 HydrophobicContact CG-CB 4.19Å; D12-R107 WeakPolarHBondContact OD1-CD 3.41Å; D12-R107 IonicContact OD1-CZ 3.76Å; D12-R107 IonicContact OD1-NE 2.77Å; D12-R107 PolarHBondContact OD1-NE 2.74Å; D12-R107 IonicContact OD1-NH2 3.89Å; D12-R107 IonicContact OD2-NE 3.89Å; I15-R107 HydrophobicContact CD1-CB 3.62Å; I15-R107 HydrophobicContact CD1-CG 3.77Å; A103-R107 VanDerWaalsContact O-CB 3.27Å; A103-R107 WeakPolarHBondContact O-CB 3.41Å; A103-R107 PolarHBondContact O-N 3.2Å; L104-R107 PolarHBondContact O-N 3.45Å; K105-R107 VanDerWaalsContact C-N 3.31Å; K105-R107 PolarHBondContact O-N 3.48Å
108Y98.3Very high98.6Very high49 Ų4921.7 Ų21.719%0.19210%0.103CC..  trans-136.263-174.2-53.2-70.8000110.7V76 P77 L104 K105 D110 R111 I112V76-Y108 HydrophobicContact CB-CD2 4.49Å; V76-Y108 HydrophobicContact CG1-CD2 3.44Å; V76-Y108 VanDerWaalsContact CG1-CD2 3.44Å; V76-Y108 HydrophobicContact CG1-CE2 4.15Å; V76-Y108 HydrophobicContact CG1-CG 3.81Å; P77-Y108 HydrophobicContact CB-CD1 3.66Å; P77-Y108 HydrophobicContact CB-CE1 3.71Å; P77-Y108 HydrophobicContact CB-CG 4.1Å; P77-Y108 HydrophobicContact CG-CD1 4.19Å; P77-Y108 HydrophobicContact CG-CE1 3.7Å; L104-Y108 HydrophobicContact CD2-CD2 4.3Å; L104-Y108 HydrophobicContact CD2-CE2 4.32Å; L104-Y108 PolarHBondContact O-N 2.88Å; K105-Y108 CarbonylContact O-C 3.57Å; Y108-D110 PolarHBondContact O-N 2.64Å; Y108-D110 VanDerWaalsContact O-N 3.1Å; Y108-R111 PolarHBondContact O-N 3.34Å; Y108-I112 PolarHBondContact O-N 3.2Å
109P97.6Very high98.6Very high45 Ų4522.4 Ų22.429%0.29211%0.106SC..THydrogen-bonded Turntrans-59.2-28.8-171.322.9-34.4000114.1I39 K105I39-P109 HydrophobicContact CD1-CB 4.37Å; I39-P109 HydrophobicContact CG2-CB 4Å; K105-P109 PolarHBondContact NZ-O 3.17Å; K105-P109 WeakPolarHBondContact O-CA 3.33Å
110D96.8Very high98.6Very high150 Ų15022.4 Ų22.480%0.80211%0.106SC*.THydrogen-bonded Turntrans-88.5-3179.2-52.7-47.4000113.5Y108Y108-D110 PolarHBondContact O-N 2.64Å; Y108-D110 VanDerWaalsContact O-N 3.1Å
111R98.4Very high98.6Very high109 Ų10922.5 Ų22.541%0.41111%0.107SC..THydrogen-bonded Turntrans-110.3-19.4-175.3-57.3-64.3-177.5149.80.7113.7V76 P77 N80 Y81 Y108V76-R111 HydrophobicContact CG1-CB 4.03Å; P77-R111 HydrophobicContact CB-CG 4.06Å; P77-R111 PolarHBondContact O-NH1 3.41Å; N80-R111 CarbonylContact C-O 3.48Å; N80-R111 VanDerWaalsContact CA-O 3.23Å; N80-R111 WeakPolarHBondContact CA-O 3.36Å; N80-R111 WeakPolarHBondContact OD1-CD 3.49Å; N80-R111 PolarHBondContact OD1-NH1 3.16Å; N80-R111 VanDerWaalsContact OD1-NH1 3.15Å; Y81-R111 PolarHBondContact N-O 3.41Å; Y108-R111 PolarHBondContact O-N 3.34Å
112I98.6Very high98.6Very high0 Ų025.3 Ų25.30%012%0.117CC..EExtended strand (participates in β ladder)trans-134.9128.9179.7-173.2172.5000109.9Y81 F83 L101 L104 K105 Y108 L114Y81-I112 CarbonylContact O-C 3.54Å; Y81-I112 WeakPolarHBondContact O-CA 3.09Å; F83-I112 HydrophobicContact CD2-CD1 3.97Å; F83-I112 HydrophobicContact CD2-CG1 4.07Å; F83-I112 HydrophobicContact CE2-CD1 3.73Å; F83-I112 HydrophobicContact CE2-CG1 4.17Å; L101-I112 HydrophobicContact CD2-CD1 4.1Å; L104-I112 HydrophobicContact CB-CD1 4.23Å; L104-I112 HydrophobicContact CB-CG2 4.42Å; K105-I112 HydrophobicContact CB-CG2 3.98Å; K105-I112 HydrophobicContact CD-CG2 4.01Å; K105-I112 WeakPolarHBondContact CD-O 3.26Å; K105-I112 PolarHBondContact NZ-O 3.27Å; Y108-I112 PolarHBondContact O-N 3.2Å; I112-L114 HydrophobicContact CD1-CD2 3.97Å; I112-L114 HydrophobicContact CG1-CD2 3.94Å
113T98.9Very high98.5Very high13 Ų1329.2 Ų29.28%0.0814%0.136CC..EExtended strand (participates in β ladder)trans-112.9131175-58.80000108.7Q47 V49 Y81 L82 F83 I115Q47-T113 HydrophobicContact CB-CG2 4.25Å; Q47-T113 HydrophobicContact CG-CG2 3.85Å; V49-T113 HydrophobicContact CG2-CG2 4.13Å; Y81-T113 PolarHBondContact O-N 3.22Å; L82-T113 WeakPolarHBondContact CA-O 3.44Å; L82-T113 HydrophobicContact CD1-CG2 3.51Å; F83-T113 PolarHBondContact N-O 3.34Å; T113-I115 HydrophobicContact CG2-CG2 4.36Å
114L98.9Very high98.4Very high0 Ų030.4 Ų30.40%014%0.142CC..EExtended strand (participates in β ladder)trans-118.8115.4178.5-55179.2000107.5F83 F87 L101 K105 I112 L154F83-L114 HydrophobicContact CB-CD2 3.97Å; F83-L114 HydrophobicContact CD2-CD2 3.96Å; F83-L114 HydrophobicContact CG-CD2 4.21Å; F87-L114 HydrophobicContact CE1-CD2 4.25Å; F87-L114 HydrophobicContact CE2-CB 4.45Å; F87-L114 HydrophobicContact CZ-CB 3.98Å; F87-L114 HydrophobicContact CZ-CD2 4.11Å; L101-L114 HydrophobicContact CB-CD1 4.24Å; L101-L114 HydrophobicContact CB-CD2 4.25Å; K105-L114 HydrophobicContact CB-CD1 3.99Å; K105-L114 HydrophobicContact CG-CD1 4.41Å; I112-L114 HydrophobicContact CD1-CD2 3.97Å; I112-L114 HydrophobicContact CG1-CD2 3.94Å; L114-L154 HydrophobicContact CB-CD2 3.89Å
115I98.9Very high98.4Very high0 Ų030.4 Ų30.40%014%0.142CC..BIsolated β-bridgetrans-100.7156.5170.466.3167.4000110.1L82 F83 M84 G85 F87 T113 S155 A158L82-I115 HydrophobicContact CD1-CG2 4.11Å; F83-I115 WeakPolarHBondContact O-CG1 3.45Å; F83-I115 PolarHBondContact O-N 3.2Å; M84-I115 VanDerWaalsContact CA-CG1 3.49Å; M84-I115 HydrophobicContact CB-CD1 4.11Å; M84-I115 HydrophobicContact CB-CG1 4.31Å; M84-I115 HydrophobicContact CG-CD1 4.05Å; M84-I115 HydrophobicContact CG-CG1 4.49Å; G85-I115 WeakPolarHBondContact CA-O 3.21Å; G85-I115 PolarHBondContact N-O 3.14Å; F87-I115 WeakPolarHBondContact CZ-O 3.3Å; T113-I115 HydrophobicContact CG2-CG2 4.36Å; I115-S155 CarbonylContact C-O 3.47Å; I115-S155 WeakPolarHBondContact CA-O 3.14Å; I115-S155 VanDerWaalsContact CB-O 3.3Å; I115-S155 WeakPolarHBondContact CB-O 3.45Å; I115-A158 HydrophobicContact CG2-CB 4.23Å
116R98.9Very high98.3Very high0 Ų035.2 Ų35.20%016%0.164CC..  trans-74.3134-175.3-158.6175.6-175166.87.7110.3E120 F151 D152 L154 S155 H168 Q188 L200R116-E120 HydrophobicContact CG-CB 3.82Å; R116-E120 PolarHBondContact NE-O 3.47Å; R116-E120 PolarHBondContact NH2-O 3.17Å; R116-F151 WeakPolarHBondContact CD-O 3.36Å; R116-F151 VanDerWaalsContact CZ-O 3.25Å; R116-F151 PolarHBondContact NE-O 2.83Å; R116-D152 IonicContact CZ-OD1 3.98Å; R116-D152 IonicContact NH1-OD1 2.64Å; R116-D152 IonicContact NH2-OD1 3.64Å; R116-D152 PolarHBondContact NH2-OD1 3.41Å; R116-L154 HydrophobicContact CB-CB 3.77Å; R116-L154 HydrophobicContact CB-CD1 4.41Å; R116-L154 HydrophobicContact CG-CB 4.16Å; R116-L154 HydrophobicContact CG-CD1 4.25Å; R116-S155 PolarHBondContact N-O 2.79Å; R116-H168 WeakPolarHBondContact O-CB 3.47Å; R116-Q188 PolarHBondContact NH1-O 3.24Å; R116-L200 HydrophobicContact CB-CD2 4.36Å; R116-L200 HydrophobicContact CG-CD1 4.44Å; R116-L200 WeakPolarHBondContact O-CD2 3.44Å
117G98.9Very high98.1Very high0 Ų038.9 Ų38.90%019%0.186CC..  trans-97.7176.8164.300000111.8D86 H119 E120 H168D86-G117 WeakPolarHBondContact OD1-CA 3.35Å; G117-H119 VanDerWaalsContact C-N 3.26Å; G117-H119 PolarHBondContact O-N 3.04Å; G117-E120 WeakPolarHBondContact CA-OE2 3.19Å; G117-E120 PolarHBondContact N-OE2 2.7Å; G117-E120 PolarHBondContact O-N 3.47Å; G117-H168 VanDerWaalsContact CA-CG 3.45Å
118N98.8Very high97.9Very high3 Ų339.3 Ų39.32%0.01619%0.188CC..THydrogen-bonded Turntrans-73.6-21.8178.768-67.3000112.5D86 E120 S121 H168 L200 W201 H242D86-N118 PolarHBondContact OD1-N 2.98Å; D86-N118 PolarHBondContact OD1-OD1 3.33Å; D86-N118 PolarHBondContact OD2-OD1 3.04Å; N118-E120 VanDerWaalsContact C-N 3.33Å; N118-S121 WeakPolarHBondContact O-CB 3.2Å; N118-H168 PolarHBondContact N-CD2 3.33Å; N118-H168 PolarHBondContact OD1-NE2 3Å; N118-L200 HydrophobicContact CB-CB 4.18Å; N118-W201 HydrophobicContact CB-CD2 3.95Å; N118-W201 VanDerWaalsContact CB-CE2 3.49Å; N118-W201 HydrophobicContact CB-CG 4.33Å; N118-W201 HydrophobicContact CB-CH2 4.41Å; N118-W201 HydrophobicContact CB-CZ2 3.75Å; N118-W201 WeakPolarHBondContact ND2-CH2 3.3Å; N118-W201 WeakPolarHBondContact ND2-CZ2 3.38Å; N118-H242 VanDerWaalsContact CG-CE1 3.48Å; N118-H242 PolarHBondContact OD1-CE1 3.23Å; N118-H242 PolarHBondContact OD1-ND1 3.3Å
119H98.7Very high97.7Very high14 Ų1437.1 Ų37.17%0.06518%0.181CC..THydrogen-bonded Turntrans-77.4-15175-80.1-98.8000114H60 D86 V88 D89 G117 S121 I124 T125H60-H119 AromaticContact CE1-CD2 3.57Å; H60-H119 AromaticContact CE1-CG 3.86Å; H60-H119 AromaticContact CE1-NE2 3.73Å; D86-H119 WeakPolarHBondContact OD1-CB 3.09Å; D86-H119 IonicContact OD1-CD2 2.81Å; D86-H119 IonicContact OD1-CG 3.98Å; D86-H119 PolarHBondContact OD1-N 2.9Å; D86-H119 IonicContact OD2-CD2 3.88Å; D86-H119 PolarHBondContact OD2-CD2 3.03Å; D86-H119 IonicContact OD2-CG 3.55Å; V88-H119 HydrophobicContact CG2-CB 4.27Å; D89-H119 VanDerWaalsContact CB-ND1 3.28Å; D89-H119 WeakPolarHBondContact CB-ND1 3.34Å; D89-H119 IonicContact OD2-CE1 3.85Å; D89-H119 IonicContact OD2-CG 3.69Å; D89-H119 IonicContact OD2-ND1 3.02Å; D89-H119 PolarHBondContact OD2-ND1 3.38Å; G117-H119 VanDerWaalsContact C-N 3.26Å; G117-H119 PolarHBondContact O-N 3.04Å; H119-S121 PolarHBondContact O-N 3.21Å; H119-I124 HydrophobicContact CB-CG2 4.31Å; H119-I124 VanDerWaalsContact ND1-CG2 3.28Å; H119-I124 WeakPolarHBondContact ND1-CG2 3.28Å; H119-T125 WeakPolarHBondContact O-CG2 3.18Å
120E98.8Very high97.7Very high0 Ų035 Ų350%017%0.167CC..SBendtrans-7853.9170-7673.6-133.300111.6D86 F87 V88 R116 G117 N118 F151 L154D86-E120 PolarHBondContact N-OE2 2.85Å; F87-E120 HydrophobicContact CD2-CG 3.89Å; F87-E120 WeakPolarHBondContact CD2-OE1 3.45Å; F87-E120 HydrophobicContact CE2-CG 4.32Å; F87-E120 PolarHBondContact N-OE1 3.08Å; V88-E120 PolarHBondContact N-OE1 3.48Å; R116-E120 HydrophobicContact CG-CB 3.82Å; R116-E120 PolarHBondContact NE-O 3.47Å; R116-E120 PolarHBondContact NH2-O 3.17Å; G117-E120 WeakPolarHBondContact CA-OE2 3.19Å; G117-E120 PolarHBondContact N-OE2 2.7Å; G117-E120 PolarHBondContact O-N 3.47Å; N118-E120 VanDerWaalsContact C-N 3.33Å; E120-F151 VanDerWaalsContact C-CD2 3.43Å; E120-F151 HydrophobicContact CB-CB 3.89Å; E120-F151 HydrophobicContact CB-CD1 3.89Å; E120-F151 HydrophobicContact CB-CD2 3.83Å; E120-F151 HydrophobicContact CB-CE1 4.37Å; E120-F151 HydrophobicContact CB-CE2 4.34Å; E120-F151 HydrophobicContact CB-CG 3.61Å; E120-F151 HydrophobicContact CG-CD1 3.64Å; E120-F151 HydrophobicContact CG-CD2 4.22Å; E120-F151 HydrophobicContact CG-CE1 3.75Å; E120-F151 HydrophobicContact CG-CE2 4.34Å; E120-F151 HydrophobicContact CG-CG 3.9Å; E120-F151 HydrophobicContact CG-CZ 4.12Å; E120-F151 WeakPolarHBondContact O-CB 3.42Å; E120-L154 HydrophobicContact CB-CD1 4.22Å; E120-L154 HydrophobicContact CG-CD1 3.91Å
121S98.6Very high97.8Very high4 Ų430.9 Ų30.93%0.02814%0.141CC..SBendtrans-133.9141.1-176.5159.10000110.4N118 H119 Q123 I124 T125 E189N118-S121 WeakPolarHBondContact O-CB 3.2Å; H119-S121 PolarHBondContact O-N 3.21Å; S121-Q123 VanDerWaalsContact C-N 3.31Å; S121-Q123 PolarHBondContact O-N 3.33Å; S121-Q123 PolarHBondContact OG-N 2.93Å; S121-I124 PolarHBondContact OG-N 3.15Å; S121-T125 WeakPolarHBondContact O-CB 3.16Å; S121-T125 WeakPolarHBondContact O-CG2 3.48Å; S121-T125 PolarHBondContact O-N 2.82Å; S121-T125 PolarHBondContact O-OG1 2.8Å; S121-E189 WeakPolarHBondContact CA-OE1 3.04Å; S121-E189 WeakPolarHBondContact CB-OE1 3.17Å; S121-E189 PolarHBondContact OG-OE1 3.03Å
122R98.6Very high97.7Very high58 Ų5829.8 Ų29.822%0.21914%0.143CC..Hα-helixtrans-62.1-41175.5-69169-175.383.1-2.5111.6T125 Q126 W144 T148 D152 E189R122-T125 PolarHBondContact O-OG1 3.15Å; R122-Q126 VanDerWaalsContact O-CG 3.24Å; R122-Q126 WeakPolarHBondContact O-CG 3.28Å; R122-Q126 PolarHBondContact O-N 3.15Å; R122-W144 HydrophobicContact CB-CH2 4.34Å; R122-W144 HydrophobicContact CB-CZ2 3.91Å; R122-W144 HydrophobicContact CG-CH2 4.27Å; R122-W144 HydrophobicContact CG-CZ2 3.99Å; R122-T148 HydrophobicContact CG-CG2 3.83Å; R122-T148 PolarHBondContact NH2-O 2.79Å; R122-D152 IonicContact CZ-OD1 3.26Å; R122-D152 IonicContact CZ-OD2 3.11Å; R122-D152 VanDerWaalsContact CZ-OD2 3.3Å; R122-D152 VanDerWaalsContact NH1-CG 3.35Å; R122-D152 IonicContact NH1-OD1 3.67Å; R122-D152 PolarHBondContact NH1-OD1 3.25Å; R122-D152 IonicContact NH1-OD2 3.88Å; R122-D152 PolarHBondContact NH1-OD2 3.1Å; R122-D152 IonicContact NH2-OD1 3.59Å; R122-D152 IonicContact NH2-OD2 3.92Å; R122-D152 PolarHBondContact NH2-OD2 2.66Å; R122-E189 VanDerWaalsContact CB-OE2 3.32Å; R122-E189 WeakPolarHBondContact CB-OE2 3.24Å; R122-E189 WeakPolarHBondContact CD-OE2 3.09Å; R122-E189 WeakPolarHBondContact CG-OE2 3.39Å; R122-E189 IonicContact CZ-OE2 2.8Å; R122-E189 PolarHBondContact N-OE1 3.34Å; R122-E189 PolarHBondContact N-OE2 3.39Å; R122-E189 VanDerWaalsContact N-OE2 3.14Å; R122-E189 IonicContact NE-OE2 3.37Å; R122-E189 IonicContact NH1-OE2 3.92Å; R122-E189 PolarHBondContact NH1-OE2 2.75Å
123Q97.3Very high97.6Very high83 Ų8330 Ų3039%0.38814%0.144SC..Hα-helixtrans-67.9-43.8-176.9-59.8-175.48.300111.7S121 E189 H192S121-Q123 VanDerWaalsContact C-N 3.31Å; S121-Q123 PolarHBondContact O-N 3.33Å; S121-Q123 PolarHBondContact OG-N 2.93Å; Q123-E189 PolarHBondContact N-OE1 2.95Å; Q123-H192 PolarHBondContact NE2-CE1 2.72Å; Q123-H192 PolarHBondContact NE2-NE2 3.47Å; Q123-H192 PolarHBondContact OE1-CE1 3.04Å
124I97.8Very high97.6Very high25 Ų2529.4 Ų29.413%0.12814%0.14CC..Hα-helixtrans-68.4-47.9-179.9-58-58.2000110.3H119 S121 Q126 V127 Y128 W201H119-I124 HydrophobicContact CB-CG2 4.31Å; H119-I124 VanDerWaalsContact ND1-CG2 3.28Å; H119-I124 WeakPolarHBondContact ND1-CG2 3.28Å; S121-I124 PolarHBondContact OG-N 3.15Å; I124-Q126 PolarHBondContact O-N 2.93Å; I124-Q126 VanDerWaalsContact O-N 3.14Å; I124-V127 PolarHBondContact O-N 3.42Å; I124-Y128 HydrophobicContact CB-CD2 4.43Å; I124-Y128 HydrophobicContact CD1-CE2 4.4Å; I124-Y128 HydrophobicContact CG2-CD2 3.54Å; I124-Y128 HydrophobicContact CG2-CE2 4.13Å; I124-Y128 HydrophobicContact CG2-CG 4.41Å; I124-Y128 VanDerWaalsContact O-CD2 3.3Å; I124-Y128 WeakPolarHBondContact O-CD2 3.31Å; I124-Y128 PolarHBondContact O-N 3.42Å; I124-W201 HydrophobicContact CD1-CH2 3.89Å; I124-W201 HydrophobicContact CD1-CZ2 3.77Å; I124-W201 HydrophobicContact CG1-CZ2 4.1Å
125T98.2Very high97.5Very high0 Ų032.8 Ų32.80%016%0.158CC..Hα-helixtrans-64.9-22.7-17853.50000115V88 D89 H119 S121 R122 V127 F130 Y131 W144 F151V88-T125 HydrophobicContact CG2-CG2 3.79Å; D89-T125 WeakPolarHBondContact OD2-CA 3.26Å; H119-T125 WeakPolarHBondContact O-CG2 3.18Å; S121-T125 WeakPolarHBondContact O-CB 3.16Å; S121-T125 WeakPolarHBondContact O-CG2 3.48Å; S121-T125 PolarHBondContact O-N 2.82Å; S121-T125 PolarHBondContact O-OG1 2.8Å; R122-T125 PolarHBondContact O-OG1 3.15Å; T125-V127 VanDerWaalsContact C-N 3.25Å; T125-V127 PolarHBondContact O-N 2.82Å; T125-F130 HydrophobicContact CG2-CB 3.84Å; T125-F130 HydrophobicContact CG2-CD1 3.69Å; T125-F130 HydrophobicContact CG2-CG 4.2Å; T125-Y131 WeakPolarHBondContact O-CB 3.22Å; T125-Y131 PolarHBondContact O-N 2.88Å; T125-W144 PolarHBondContact OG1-NE1 2.89Å; T125-F151 HydrophobicContact CG2-CE2 4.23Å
126Q96.6Very high97.4Very high102 Ų10239.3 Ų39.348%0.47718%0.183SC..Hα-helixtrans-70.3-21.4172.6-79.5-179.2-49.400113.4R122 I124 Y131 W144R122-Q126 VanDerWaalsContact O-CG 3.24Å; R122-Q126 WeakPolarHBondContact O-CG 3.28Å; R122-Q126 PolarHBondContact O-N 3.15Å; I124-Q126 PolarHBondContact O-N 2.93Å; I124-Q126 VanDerWaalsContact O-N 3.14Å; Q126-Y131 HydrophobicContact CG-CD2 4.03Å; Q126-Y131 HydrophobicContact CG-CG 4.28Å; Q126-W144 HydrophobicContact CG-CH2 4.45Å; Q126-W144 HydrophobicContact CG-CZ2 3.91Å
127V94.8Very high97.3Very high90 Ų9041.2 Ų41.255%0.54519%0.191SC..Hα-helixtrans-105.9-37.1-176.2-179.20000111.5I124 T125I124-V127 PolarHBondContact O-N 3.42Å; T125-V127 VanDerWaalsContact C-N 3.25Å; T125-V127 PolarHBondContact O-N 2.82Å
128Y93.4Very high97.2Very high80 Ų8043.1 Ų43.131%0.31420%0.198SC..Hα-helixtrans-104.29.7-165.8-65.7-77.5000115.6D89 R90 I124 Y309D89-Y128 WeakPolarHBondContact CB-O 3.22Å; R90-Y128 PolarHBondContact N-O 3.23Å; I124-Y128 HydrophobicContact CB-CD2 4.43Å; I124-Y128 HydrophobicContact CD1-CE2 4.4Å; I124-Y128 HydrophobicContact CG2-CD2 3.54Å; I124-Y128 HydrophobicContact CG2-CE2 4.13Å; I124-Y128 HydrophobicContact CG2-CG 4.41Å; I124-Y128 VanDerWaalsContact O-CD2 3.3Å; I124-Y128 WeakPolarHBondContact O-CD2 3.31Å; I124-Y128 PolarHBondContact O-N 3.42Å; Y128-Y309 VanDerWaalsContact O-CD2 3.31Å; Y128-Y309 WeakPolarHBondContact O-CD2 3.1Å
129G93.6Very high97.1Very high3 Ų346.1 Ų46.13%0.03123%0.23CC..SBendtrans122.4-23.8157.600000116.3D89 Y131 D132 E133D89-G129 PolarHBondContact OD1-N 2.83Å; G129-Y131 PolarHBondContact O-N 3.2Å; G129-D132 PolarHBondContact O-N 3.44Å; G129-E133 WeakPolarHBondContact O-CB 3.39Å; G129-E133 PolarHBondContact O-N 3.26Å
130F98.2Very high96.9Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-65.8-36.7-174.9179.8-122.8000113.3V88 D89 V95 T125 E133 C134 W144 C147 F151V88-F130 HydrophobicContact CB-CB 4.11Å; V88-F130 HydrophobicContact CB-CD1 4.36Å; V88-F130 HydrophobicContact CB-CD2 4.04Å; V88-F130 HydrophobicContact CB-CE2 4.49Å; V88-F130 HydrophobicContact CB-CG 3.93Å; V88-F130 HydrophobicContact CG1-CD1 4.35Å; V88-F130 HydrophobicContact CG1-CD2 3.95Å; V88-F130 HydrophobicContact CG1-CE1 4.34Å; V88-F130 HydrophobicContact CG1-CE2 3.89Å; V88-F130 HydrophobicContact CG1-CG 4.14Å; V88-F130 HydrophobicContact CG1-CZ 4.1Å; V88-F130 HydrophobicContact CG2-CB 4.33Å; V88-F130 HydrophobicContact CG2-CD1 4.34Å; V88-F130 HydrophobicContact CG2-CG 4.28Å; D89-F130 WeakPolarHBondContact OD1-CB 3.49Å; D89-F130 PolarHBondContact OD1-N 3.48Å; V95-F130 HydrophobicContact CB-CE2 4.44Å; V95-F130 HydrophobicContact CG2-CD2 4.19Å; V95-F130 HydrophobicContact CG2-CE2 3.69Å; T125-F130 HydrophobicContact CG2-CB 3.84Å; T125-F130 HydrophobicContact CG2-CD1 3.69Å; T125-F130 HydrophobicContact CG2-CG 4.2Å; F130-E133 PolarHBondContact O-N 2.91Å; F130-C134 PolarHBondContact O-N 3Å; F130-C134 PolarHBondContact O-SG 2.93Å; F130-W144 AromaticContact CD1-CD1 3.73Å; F130-C147 HydrophobicContact CE1-CB 3.81Å; F130-C147 HydrophobicContact CZ-CB 3.73Å; F130-F151 HydrophobicContact CD1-CE2 4.3Å; F130-F151 HydrophobicContact CD1-CZ 4.25Å; F130-F151 AromaticContact CE1-CE2 3.98Å; F130-F151 HydrophobicContact CE1-CE2 3.98Å; F130-F151 AromaticContact CE1-CZ 3.65Å; F130-F151 HydrophobicContact CE1-CZ 3.65Å; F130-F151 HydrophobicContact CZ-CZ 4.24Å
131Y98.3Very high96.8Very high64 Ų6448.9 Ų48.925%0.25125%0.249SC..Hα-helixtrans-59-51.7174177.8-88.6000111.5T125 Q126 G129 E133 C134 L135 V141 W144T125-Y131 WeakPolarHBondContact O-CB 3.22Å; T125-Y131 PolarHBondContact O-N 2.88Å; Q126-Y131 HydrophobicContact CG-CD2 4.03Å; Q126-Y131 HydrophobicContact CG-CG 4.28Å; G129-Y131 PolarHBondContact O-N 3.2Å; Y131-E133 VanDerWaalsContact C-N 3.31Å; Y131-E133 PolarHBondContact O-N 2.8Å; Y131-C134 PolarHBondContact O-N 3.23Å; Y131-L135 PolarHBondContact O-N 2.91Å; Y131-V141 HydrophobicContact CE1-CG1 4.24Å; Y131-V141 HydrophobicContact CE2-CB 4.19Å; Y131-V141 HydrophobicContact CE2-CG1 3.65Å; Y131-V141 VanDerWaalsContact CZ-CG1 3.49Å; Y131-V141 WeakPolarHBondContact OH-CG1 3.36Å; Y131-W144 AromaticContact CD2-CD2 3.55Å; Y131-W144 HydrophobicContact CD2-CD2 3.55Å; Y131-W144 AromaticContact CD2-CE2 3.64Å; Y131-W144 AromaticContact CD2-CE3 3.85Å; Y131-W144 HydrophobicContact CD2-CE3 3.85Å; Y131-W144 AromaticContact CD2-CG 3.9Å; Y131-W144 HydrophobicContact CD2-CG 3.9Å; Y131-W144 HydrophobicContact CD2-CH2 4.34Å; Y131-W144 HydrophobicContact CD2-CZ2 4.05Å; Y131-W144 HydrophobicContact CD2-CZ3 4.24Å; Y131-W144 AromaticContact CD2-NE1 3.98Å; Y131-W144 HydrophobicContact CE2-CD2 4.12Å; Y131-W144 AromaticContact CE2-CE3 3.93Å; Y131-W144 HydrophobicContact CE2-CE3 3.93Å; Y131-W144 HydrophobicContact CE2-CH2 4.46Å; Y131-W144 HydrophobicContact CE2-CZ3 4.12Å
132D96.3Very high96.8Very high87 Ų8750.6 Ų50.647%0.46526%0.26SS..Hα-helixtrans-66.7-34.9179.7-74.6-23000111.8G129 L135 R136G129-D132 PolarHBondContact O-N 3.44Å; D132-L135 PolarHBondContact O-N 3.41Å; D132-R136 WeakPolarHBondContact O-CB 3.2Å; D132-R136 PolarHBondContact O-N 3.19Å
133E97.4Very high96.8Very high5 Ų547.9 Ų47.92%0.02325%0.249CC..Hα-helixtrans-60.7-49.3173.9-173.8-176.4152.600111.3Y93 S94 V95 G129 F130 Y131 R136 K137Y93-E133 WeakPolarHBondContact CA-OE1 3.19Å; S94-E133 WeakPolarHBondContact CB-OE2 3.28Å; S94-E133 VanDerWaalsContact N-CD 3.33Å; S94-E133 PolarHBondContact N-OE1 3.26Å; S94-E133 PolarHBondContact N-OE2 3.42Å; S94-E133 PolarHBondContact OG-OE2 3.26Å; V95-E133 WeakPolarHBondContact CB-OE1 3.47Å; V95-E133 HydrophobicContact CG2-CG 3.91Å; V95-E133 WeakPolarHBondContact CG2-OE1 3.37Å; V95-E133 PolarHBondContact N-OE1 3.39Å; G129-E133 WeakPolarHBondContact O-CB 3.39Å; G129-E133 PolarHBondContact O-N 3.26Å; F130-E133 PolarHBondContact O-N 2.91Å; Y131-E133 VanDerWaalsContact C-N 3.31Å; Y131-E133 PolarHBondContact O-N 2.8Å; E133-R136 PolarHBondContact O-N 2.83Å; E133-K137 HydrophobicContact CG-CD 3.84Å; E133-K137 HydrophobicContact CG-CG 4.43Å; E133-K137 WeakPolarHBondContact O-CB 3.44Å; E133-K137 WeakPolarHBondContact O-CG 3.46Å; E133-K137 PolarHBondContact O-N 3.07Å; E133-K137 WeakPolarHBondContact OE1-CE 3.4Å; E133-K137 IonicContact OE1-NZ 3.35Å; E133-K137 PolarHBondContact OE1-NZ 2.98Å
134C98.1Very high96.9Very high0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-59.5-48.5177.1-70.70000111.4F130 Y131 R136 K137 Y138 W144F130-C134 PolarHBondContact O-N 3Å; F130-C134 PolarHBondContact O-SG 2.93Å; Y131-C134 PolarHBondContact O-N 3.23Å; C134-R136 VanDerWaalsContact C-N 3.33Å; C134-R136 PolarHBondContact O-N 3.43Å; C134-K137 PolarHBondContact O-N 3.44Å; C134-Y138 PolarHBondContact O-N 3.21Å; C134-W144 HydrophobicContact CB-CB 3.73Å
135L97Very high97Very high71 Ų7150.7 Ų50.737%0.37226%0.255SS..Hα-helixtrans-58.8-44.5179178.860.5000111.6Y131 D132 G139 V141Y131-L135 PolarHBondContact O-N 2.91Å; D132-L135 PolarHBondContact O-N 3.41Å; L135-G139 WeakPolarHBondContact O-CA 3.19Å; L135-G139 PolarHBondContact O-N 3.14Å; L135-V141 HydrophobicContact CD1-CG1 4.22Å
136R96.8Very high97Very high136 Ų13652.8 Ų52.851%0.51326%0.263SS..Hα-helixtrans-66.3-40.4178.8176.9177.65684.6-4.2112.8D132 E133 C134D132-R136 WeakPolarHBondContact O-CB 3.2Å; D132-R136 PolarHBondContact O-N 3.19Å; E133-R136 PolarHBondContact O-N 2.83Å; C134-R136 VanDerWaalsContact C-N 3.33Å; C134-R136 PolarHBondContact O-N 3.43Å
137K96.7Very high97.1Very high40 Ų4047.9 Ų47.917%0.17424%0.24CC..Hα-helixtrans-81.4-33.5-173.6-75.2-176179.5177.10113.4L23 F92 V95 E96 E133 C134L23-K137 HydrophobicContact CD1-CB 3.73Å; L23-K137 HydrophobicContact CD1-CD 4.1Å; L23-K137 HydrophobicContact CD1-CG 4.08Å; L23-K137 HydrophobicContact CD2-CD 4.02Å; F92-K137 PolarHBondContact O-NZ 3.13Å; V95-K137 HydrophobicContact CB-CD 4.34Å; V95-K137 HydrophobicContact CG2-CD 4.34Å; E96-K137 WeakPolarHBondContact OE1-CE 2.99Å; E96-K137 IonicContact OE1-NZ 3.47Å; E96-K137 PolarHBondContact OE1-NZ 3.37Å; E96-K137 IonicContact OE2-NZ 3.46Å; E96-K137 PolarHBondContact OE2-NZ 3.42Å; E133-K137 HydrophobicContact CG-CD 3.84Å; E133-K137 HydrophobicContact CG-CG 4.43Å; E133-K137 WeakPolarHBondContact O-CB 3.44Å; E133-K137 WeakPolarHBondContact O-CG 3.46Å; E133-K137 PolarHBondContact O-N 3.07Å; E133-K137 WeakPolarHBondContact OE1-CE 3.4Å; E133-K137 IonicContact OE1-NZ 3.35Å; E133-K137 PolarHBondContact OE1-NZ 2.98Å; C134-K137 PolarHBondContact O-N 3.44Å
138Y97.4Very high97.3Very high40 Ų4043.7 Ų43.716%0.15722%0.215CC..Hα-helixtrans-111.5-7.5-176.5-69.5-94000114L23 I24 E26 V29 V95 C134 S140 V143L23-Y138 HydrophobicContact CD1-CE2 4.36Å; L23-Y138 HydrophobicContact CD2-CE2 4.16Å; I24-Y138 VanDerWaalsContact O-CE1 3.28Å; I24-Y138 WeakPolarHBondContact O-CE1 3.23Å; I24-Y138 PolarHBondContact O-OH 3.09Å; I24-Y138 VanDerWaalsContact O-OH 3.13Å; E26-Y138 HydrophobicContact CB-CD1 4.22Å; V29-Y138 HydrophobicContact CG2-CE1 4.25Å; V95-Y138 HydrophobicContact CG1-CE2 3.75Å; C134-Y138 PolarHBondContact O-N 3.21Å; Y138-S140 PolarHBondContact O-N 3.31Å; Y138-V143 HydrophobicContact CD1-CG2 3.53Å; Y138-V143 HydrophobicContact CD2-CB 4.08Å; Y138-V143 HydrophobicContact CD2-CG1 4.16Å; Y138-V143 HydrophobicContact CD2-CG2 3.87Å; Y138-V143 HydrophobicContact CE1-CG2 3.75Å; Y138-V143 HydrophobicContact CE2-CB 4.4Å; Y138-V143 HydrophobicContact CE2-CG1 4.04Å; Y138-V143 HydrophobicContact CE2-CG2 4.13Å; Y138-V143 HydrophobicContact CG-CB 4.17Å; Y138-V143 HydrophobicContact CG-CG2 3.57Å
139G96.5Very high97.5Very high66 Ų6643.8 Ų43.868%0.6822%0.218SC*.SBendtrans73.91.7-177.300000114.2L135L135-G139 WeakPolarHBondContact O-CA 3.19Å; L135-G139 PolarHBondContact O-N 3.14Å
140S95.7Very high97.8Very high33 Ų3343.7 Ų43.723%0.23122%0.217CC..SBendtrans-150.4163.6177.887.70000111E26 Y138 T142E26-S140 PolarHBondContact OE2-OG 3.42Å; Y138-S140 PolarHBondContact O-N 3.31Å; S140-T142 PolarHBondContact O-N 3.28Å; S140-T142 WeakPolarHBondContact OG-CB 3.46Å; S140-T142 PolarHBondContact OG-N 2.85Å; S140-T142 PolarHBondContact OG-OG1 2.77Å
141V96.6Very high97.8Very high40 Ų4043.7 Ų43.724%0.24222%0.217CC..SBendtrans-83.53.7176.5-590000113.1Y131 L135 V143 W144 R145Y131-V141 HydrophobicContact CE1-CG1 4.24Å; Y131-V141 HydrophobicContact CE2-CB 4.19Å; Y131-V141 HydrophobicContact CE2-CG1 3.65Å; Y131-V141 VanDerWaalsContact CZ-CG1 3.49Å; Y131-V141 WeakPolarHBondContact OH-CG1 3.36Å; L135-V141 HydrophobicContact CD1-CG1 4.22Å; V141-V143 PolarHBondContact O-N 2.81Å; V141-W144 WeakPolarHBondContact O-CB 3.48Å; V141-W144 PolarHBondContact O-N 2.8Å; V141-R145 WeakPolarHBondContact O-CG 3.24Å; V141-R145 PolarHBondContact O-N 2.71Å
142T98.5Very high97.8Very high40 Ų4041.5 Ų41.525%0.24521%0.209CC..Hα-helixtrans-62.3-41.5-172.8-57.80000112E26 S140 R145 Y146E26-T142 HydrophobicContact CG-CG2 4.29Å; E26-T142 WeakPolarHBondContact OE1-CG2 3.35Å; S140-T142 PolarHBondContact O-N 3.28Å; S140-T142 WeakPolarHBondContact OG-CB 3.46Å; S140-T142 PolarHBondContact OG-N 2.85Å; S140-T142 PolarHBondContact OG-OG1 2.77Å; T142-R145 WeakPolarHBondContact O-CB 3.32Å; T142-R145 PolarHBondContact O-N 2.84Å; T142-Y146 HydrophobicContact CG2-CD2 4.21Å; T142-Y146 HydrophobicContact CG2-CE1 4.14Å; T142-Y146 HydrophobicContact CG2-CE2 3.44Å; T142-Y146 VanDerWaalsContact CG2-CE2 3.44Å; T142-Y146 WeakPolarHBondContact CG2-OH 3.34Å; T142-Y146 WeakPolarHBondContact O-CD2 3.29Å; T142-Y146 PolarHBondContact O-N 2.85Å
143V98.7Very high98Very high0 Ų040 Ų400%020%0.198CC..Hα-helixtrans-63.3-42.4174.8166.50000112E26 V29 Y138 V141 R145 Y146 C147E26-V143 HydrophobicContact CB-CG2 4.41Å; E26-V143 HydrophobicContact CG-CG2 4Å; V29-V143 HydrophobicContact CB-CG2 4.36Å; V29-V143 HydrophobicContact CG1-CG1 4.14Å; V29-V143 HydrophobicContact CG1-CG2 4.26Å; V29-V143 HydrophobicContact CG2-CG2 4.29Å; Y138-V143 HydrophobicContact CD1-CG2 3.53Å; Y138-V143 HydrophobicContact CD2-CB 4.08Å; Y138-V143 HydrophobicContact CD2-CG1 4.16Å; Y138-V143 HydrophobicContact CD2-CG2 3.87Å; Y138-V143 HydrophobicContact CE1-CG2 3.75Å; Y138-V143 HydrophobicContact CE2-CB 4.4Å; Y138-V143 HydrophobicContact CE2-CG1 4.04Å; Y138-V143 HydrophobicContact CE2-CG2 4.13Å; Y138-V143 HydrophobicContact CG-CB 4.17Å; Y138-V143 HydrophobicContact CG-CG2 3.57Å; V141-V143 PolarHBondContact O-N 2.81Å; V143-R145 VanDerWaalsContact C-N 3.27Å; V143-R145 PolarHBondContact O-N 3.34Å; V143-Y146 PolarHBondContact O-N 2.79Å; V143-C147 PolarHBondContact O-N 2.75Å; V143-C147 PolarHBondContact O-SG 3.31Å; V143-C147 VanDerWaalsContact O-SG 3.34Å
144W98.8Very high98Very high25 Ų2539.8 Ų39.810%0.09520%0.197CC..Hα-helixtrans-58.9-40.5175170.782.4000111.6R122 T125 Q126 F130 Y131 C134 V141 C147 T148R122-W144 HydrophobicContact CB-CH2 4.34Å; R122-W144 HydrophobicContact CB-CZ2 3.91Å; R122-W144 HydrophobicContact CG-CH2 4.27Å; R122-W144 HydrophobicContact CG-CZ2 3.99Å; T125-W144 PolarHBondContact OG1-NE1 2.89Å; Q126-W144 HydrophobicContact CG-CH2 4.45Å; Q126-W144 HydrophobicContact CG-CZ2 3.91Å; F130-W144 AromaticContact CD1-CD1 3.73Å; Y131-W144 AromaticContact CD2-CD2 3.55Å; Y131-W144 HydrophobicContact CD2-CD2 3.55Å; Y131-W144 AromaticContact CD2-CE2 3.64Å; Y131-W144 AromaticContact CD2-CE3 3.85Å; Y131-W144 HydrophobicContact CD2-CE3 3.85Å; Y131-W144 AromaticContact CD2-CG 3.9Å; Y131-W144 HydrophobicContact CD2-CG 3.9Å; Y131-W144 HydrophobicContact CD2-CH2 4.34Å; Y131-W144 HydrophobicContact CD2-CZ2 4.05Å; Y131-W144 HydrophobicContact CD2-CZ3 4.24Å; Y131-W144 AromaticContact CD2-NE1 3.98Å; Y131-W144 HydrophobicContact CE2-CD2 4.12Å; Y131-W144 AromaticContact CE2-CE3 3.93Å; Y131-W144 HydrophobicContact CE2-CE3 3.93Å; Y131-W144 HydrophobicContact CE2-CH2 4.46Å; Y131-W144 HydrophobicContact CE2-CZ3 4.12Å; C134-W144 HydrophobicContact CB-CB 3.73Å; V141-W144 WeakPolarHBondContact O-CB 3.48Å; V141-W144 PolarHBondContact O-N 2.8Å; W144-C147 PolarHBondContact O-N 2.94Å; W144-T148 HydrophobicContact CD2-CG2 4.23Å; W144-T148 HydrophobicContact CG-CG2 4.37Å; W144-T148 HydrophobicContact CZ2-CG2 4.13Å; W144-T148 WeakPolarHBondContact O-CB 3.36Å; W144-T148 WeakPolarHBondContact O-CG2 3.37Å; W144-T148 PolarHBondContact O-N 2.89Å; W144-T148 PolarHBondContact O-OG1 2.91Å
145R98.8Very high98.1Very high143 Ų14339.8 Ų39.854%0.5420%0.197SC..Hα-helixtrans-63.1-44.8175.5-65.217772.8168.14.7111.9V141 T142 V143 T148 E149V141-R145 WeakPolarHBondContact O-CG 3.24Å; V141-R145 PolarHBondContact O-N 2.71Å; T142-R145 WeakPolarHBondContact O-CB 3.32Å; T142-R145 PolarHBondContact O-N 2.84Å; V143-R145 VanDerWaalsContact C-N 3.27Å; V143-R145 PolarHBondContact O-N 3.34Å; R145-T148 PolarHBondContact O-OG1 3.48Å; R145-E149 WeakPolarHBondContact O-CB 3.39Å; R145-E149 WeakPolarHBondContact O-CG 3.38Å; R145-E149 PolarHBondContact O-N 2.97Å
146Y98.8Very high98.2Very high43 Ų4336.4 Ų36.417%0.16918%0.179CC..Hα-helixtrans-61.8-46.7176.6-61.2-33.1000112E26 V29 K30 T142 V143 E149 I150E26-Y146 HydrophobicContact CG-CE2 4.24Å; V29-Y146 HydrophobicContact CG1-CD2 4.3Å; K30-Y146 HydrophobicContact CB-CD2 4.02Å; K30-Y146 HydrophobicContact CB-CE2 3.57Å; K30-Y146 HydrophobicContact CD-CE1 4.4Å; K30-Y146 HydrophobicContact CD-CE2 4.34Å; K30-Y146 WeakPolarHBondContact CD-OH 3.49Å; K30-Y146 HydrophobicContact CG-CD2 4.47Å; K30-Y146 HydrophobicContact CG-CE1 4.05Å; K30-Y146 HydrophobicContact CG-CE2 3.91Å; T142-Y146 HydrophobicContact CG2-CD2 4.21Å; T142-Y146 HydrophobicContact CG2-CE1 4.14Å; T142-Y146 HydrophobicContact CG2-CE2 3.44Å; T142-Y146 VanDerWaalsContact CG2-CE2 3.44Å; T142-Y146 WeakPolarHBondContact CG2-OH 3.34Å; T142-Y146 WeakPolarHBondContact O-CD2 3.29Å; T142-Y146 PolarHBondContact O-N 2.85Å; V143-Y146 PolarHBondContact O-N 2.79Å; Y146-E149 PolarHBondContact O-N 2.89Å; Y146-I150 WeakPolarHBondContact O-CG1 3.49Å; Y146-I150 PolarHBondContact O-N 3.48Å
147C98.8Very high98.3Very high0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-64.9-44.3179.7-64.10000112.2F98 F130 V143 W144 E149 I150 F151F98-C147 HydrophobicContact CD1-CB 4.04Å; F98-C147 HydrophobicContact CE1-CB 3.85Å; F130-C147 HydrophobicContact CE1-CB 3.81Å; F130-C147 HydrophobicContact CZ-CB 3.73Å; V143-C147 PolarHBondContact O-N 2.75Å; V143-C147 PolarHBondContact O-SG 3.31Å; V143-C147 VanDerWaalsContact O-SG 3.34Å; W144-C147 PolarHBondContact O-N 2.94Å; C147-E149 VanDerWaalsContact C-N 3.32Å; C147-E149 PolarHBondContact O-N 3.08Å; C147-I150 WeakPolarHBondContact O-CA 3.34Å; C147-I150 WeakPolarHBondContact O-CB 3.1Å; C147-I150 PolarHBondContact O-N 2.82Å; C147-F151 HydrophobicContact CB-CE1 4.34Å; C147-F151 HydrophobicContact CB-CZ 4.2Å; C147-F151 WeakPolarHBondContact O-CD1 3.45Å; C147-F151 WeakPolarHBondContact O-CG 3.35Å; C147-F151 PolarHBondContact O-N 3.41Å
148T98.8Very high98.4Very high1 Ų128 Ų281%0.00615%0.146CC..Hα-helixtrans-68.2-29.4178.852.20000113.5R122 W144 R145 I150 F151R122-T148 HydrophobicContact CG-CG2 3.83Å; R122-T148 PolarHBondContact NH2-O 2.79Å; W144-T148 HydrophobicContact CD2-CG2 4.23Å; W144-T148 HydrophobicContact CG-CG2 4.37Å; W144-T148 HydrophobicContact CZ2-CG2 4.13Å; W144-T148 WeakPolarHBondContact O-CB 3.36Å; W144-T148 WeakPolarHBondContact O-CG2 3.37Å; W144-T148 PolarHBondContact O-N 2.89Å; W144-T148 PolarHBondContact O-OG1 2.91Å; R145-T148 PolarHBondContact O-OG1 3.48Å; T148-I150 VanDerWaalsContact C-N 3.3Å; T148-F151 HydrophobicContact CG2-CD2 3.78Å; T148-F151 HydrophobicContact CG2-CE2 3.74Å; T148-F151 WeakPolarHBondContact O-CB 3.44Å; T148-F151 PolarHBondContact O-N 3.17Å
149E98.6Very high98.4Very high82 Ų8226.6 Ų26.638%0.38314%0.141SC..Hα-helixtrans-63.2-36167.3-77.7174.8-162.700112.1R145 Y146 C147 Y153R145-E149 WeakPolarHBondContact O-CB 3.39Å; R145-E149 WeakPolarHBondContact O-CG 3.38Å; R145-E149 PolarHBondContact O-N 2.97Å; Y146-E149 PolarHBondContact O-N 2.89Å; C147-E149 VanDerWaalsContact C-N 3.32Å; C147-E149 PolarHBondContact O-N 3.08Å; E149-Y153 WeakPolarHBondContact O-CD2 3.35Å; E149-Y153 WeakPolarHBondContact O-CE2 3.21Å
150I98.9Very high98.5Very high2 Ų223.5 Ų23.51%0.0111%0.109CC..Hα-helixtrans-72.5-34.3176.2-63.6-53.3000112.4C33 A36 R37 L40 F98 L102 Y146 C147 T148 D152 Y153 L154C33-I150 HydrophobicContact CB-CD1 3.87Å; C33-I150 HydrophobicContact CB-CG1 3.62Å; C33-I150 WeakPolarHBondContact O-CD1 3.45Å; A36-I150 HydrophobicContact CB-CD1 4.47Å; R37-I150 HydrophobicContact CB-CD1 3.85Å; L40-I150 HydrophobicContact CD1-CG2 3.75Å; F98-I150 HydrophobicContact CZ-CB 4.43Å; F98-I150 HydrophobicContact CZ-CG2 3.97Å; L102-I150 HydrophobicContact CD1-CG2 3.84Å; L102-I150 HydrophobicContact CD2-CG2 4.3Å; Y146-I150 WeakPolarHBondContact O-CG1 3.49Å; Y146-I150 PolarHBondContact O-N 3.48Å; C147-I150 WeakPolarHBondContact O-CA 3.34Å; C147-I150 WeakPolarHBondContact O-CB 3.1Å; C147-I150 PolarHBondContact O-N 2.82Å; T148-I150 VanDerWaalsContact C-N 3.3Å; I150-D152 PolarHBondContact O-N 3.24Å; I150-D152 VanDerWaalsContact O-N 3.15Å; I150-Y153 PolarHBondContact O-N 3.04Å; I150-L154 PolarHBondContact O-N 2.89Å
151F98.9Very high98.7Very high0 Ų024.3 Ų24.30%011%0.111CC..Hα-helixtrans-53.8-36.1176.4-63.7-14.7000112.4V88 F98 R116 E120 T125 F130 C147 T148 Y153 L154V88-F151 HydrophobicContact CG1-CZ 4.08Å; V88-F151 HydrophobicContact CG2-CE2 4.49Å; V88-F151 HydrophobicContact CG2-CZ 4.22Å; F98-F151 AromaticContact CD1-CE1 3.89Å; F98-F151 HydrophobicContact CD1-CE1 3.89Å; F98-F151 HydrophobicContact CD1-CZ 4.49Å; F98-F151 AromaticContact CD2-CE1 3.96Å; F98-F151 HydrophobicContact CD2-CE1 3.96Å; F98-F151 HydrophobicContact CE1-CD1 4.17Å; F98-F151 AromaticContact CE1-CE1 3.53Å; F98-F151 HydrophobicContact CE1-CE1 3.53Å; F98-F151 HydrophobicContact CE1-CZ 4.43Å; F98-F151 HydrophobicContact CE2-CD1 4.03Å; F98-F151 AromaticContact CE2-CE1 3.61Å; F98-F151 HydrophobicContact CE2-CE1 3.61Å; F98-F151 HydrophobicContact CG-CE1 4.1Å; F98-F151 AromaticContact CZ-CD1 3.69Å; F98-F151 HydrophobicContact CZ-CD1 3.69Å; F98-F151 AromaticContact CZ-CE1 3.39Å; F98-F151 HydrophobicContact CZ-CE1 3.39Å; R116-F151 WeakPolarHBondContact CD-O 3.36Å; R116-F151 VanDerWaalsContact CZ-O 3.25Å; R116-F151 PolarHBondContact NE-O 2.83Å; E120-F151 VanDerWaalsContact C-CD2 3.43Å; E120-F151 HydrophobicContact CB-CB 3.89Å; E120-F151 HydrophobicContact CB-CD1 3.89Å; E120-F151 HydrophobicContact CB-CD2 3.83Å; E120-F151 HydrophobicContact CB-CE1 4.37Å; E120-F151 HydrophobicContact CB-CE2 4.34Å; E120-F151 HydrophobicContact CB-CG 3.61Å; E120-F151 HydrophobicContact CG-CD1 3.64Å; E120-F151 HydrophobicContact CG-CD2 4.22Å; E120-F151 HydrophobicContact CG-CE1 3.75Å; E120-F151 HydrophobicContact CG-CE2 4.34Å; E120-F151 HydrophobicContact CG-CG 3.9Å; E120-F151 HydrophobicContact CG-CZ 4.12Å; E120-F151 WeakPolarHBondContact O-CB 3.42Å; T125-F151 HydrophobicContact CG2-CE2 4.23Å; F130-F151 HydrophobicContact CD1-CE2 4.3Å; F130-F151 HydrophobicContact CD1-CZ 4.25Å; F130-F151 AromaticContact CE1-CE2 3.98Å; F130-F151 HydrophobicContact CE1-CE2 3.98Å; F130-F151 AromaticContact CE1-CZ 3.65Å; F130-F151 HydrophobicContact CE1-CZ 3.65Å; F130-F151 HydrophobicContact CZ-CZ 4.24Å; C147-F151 HydrophobicContact CB-CE1 4.34Å; C147-F151 HydrophobicContact CB-CZ 4.2Å; C147-F151 WeakPolarHBondContact O-CD1 3.45Å; C147-F151 WeakPolarHBondContact O-CG 3.35Å; C147-F151 PolarHBondContact O-N 3.41Å; T148-F151 HydrophobicContact CG2-CD2 3.78Å; T148-F151 HydrophobicContact CG2-CE2 3.74Å; T148-F151 WeakPolarHBondContact O-CB 3.44Å; T148-F151 PolarHBondContact O-N 3.17Å; F151-Y153 PolarHBondContact O-N 3.13Å; F151-L154 HydrophobicContact CD1-CD1 4.18Å; F151-L154 PolarHBondContact O-N 2.96Å
152D98.8Very high98.7Very high17 Ų1724.2 Ų24.29%0.09112%0.118CC..THydrogen-bonded Turntrans-64.5-20177.9-59.4-20.9000113.7R116 R122 I150 R186 K187 Q188R116-D152 IonicContact CZ-OD1 3.98Å; R116-D152 IonicContact NH1-OD1 2.64Å; R116-D152 IonicContact NH2-OD1 3.64Å; R116-D152 PolarHBondContact NH2-OD1 3.41Å; R122-D152 IonicContact CZ-OD1 3.26Å; R122-D152 IonicContact CZ-OD2 3.11Å; R122-D152 VanDerWaalsContact CZ-OD2 3.3Å; R122-D152 VanDerWaalsContact NH1-CG 3.35Å; R122-D152 IonicContact NH1-OD1 3.67Å; R122-D152 PolarHBondContact NH1-OD1 3.25Å; R122-D152 IonicContact NH1-OD2 3.88Å; R122-D152 PolarHBondContact NH1-OD2 3.1Å; R122-D152 IonicContact NH2-OD1 3.59Å; R122-D152 IonicContact NH2-OD2 3.92Å; R122-D152 PolarHBondContact NH2-OD2 2.66Å; I150-D152 PolarHBondContact O-N 3.24Å; I150-D152 VanDerWaalsContact O-N 3.15Å; D152-R186 CarbonylContact O-C 3.53Å; D152-R186 VanDerWaalsContact O-O 3.04Å; D152-K187 WeakPolarHBondContact O-CA 3.43Å; D152-Q188 VanDerWaalsContact OD1-O 3.08Å
153Y98.8Very high98.7Very high56 Ų5624.6 Ų24.622%0.2212%0.116CC..THydrogen-bonded Turntrans-96.4-13.9-179.5-68-100.4000113.3R37 V41 E149 I150 F151 S155 R186 K187R37-Y153 HydrophobicContact CG-CD1 3.93Å; R37-Y153 HydrophobicContact CG-CD2 4.2Å; R37-Y153 HydrophobicContact CG-CE1 3.67Å; R37-Y153 HydrophobicContact CG-CE2 3.98Å; R37-Y153 HydrophobicContact CG-CG 4.2Å; V41-Y153 HydrophobicContact CB-CD1 4.04Å; V41-Y153 HydrophobicContact CB-CE1 4.21Å; V41-Y153 HydrophobicContact CG2-CD1 4.26Å; V41-Y153 HydrophobicContact CG2-CE1 4.08Å; E149-Y153 WeakPolarHBondContact O-CD2 3.35Å; E149-Y153 WeakPolarHBondContact O-CE2 3.21Å; I150-Y153 PolarHBondContact O-N 3.04Å; F151-Y153 PolarHBondContact O-N 3.13Å; Y153-S155 PolarHBondContact O-N 2.62Å; Y153-R186 PolarHBondContact O-NE 2.99Å; Y153-R186 PolarHBondContact O-NH2 3.04Å; Y153-R186 VanDerWaalsContact O-NH2 3.14Å; Y153-K187 HydrophobicContact CD1-CD 4.48Å; Y153-K187 HydrophobicContact CD1-CG 4.43Å; Y153-K187 HydrophobicContact CE1-CD 4.16Å; Y153-K187 HydrophobicContact CE1-CG 4.4Å
154L98.8Very high98.7Very high0 Ų024.9 Ų24.90%012%0.118CC..SBendtrans-60.6133178.8-67.8171.9000110.8L40 F87 L114 R116 E120 I150 F151 R186L40-L154 HydrophobicContact CD1-CD2 4.12Å; L40-L154 HydrophobicContact CD2-CD2 4.39Å; F87-L154 HydrophobicContact CE2-CD1 4.06Å; L114-L154 HydrophobicContact CB-CD2 3.89Å; R116-L154 HydrophobicContact CB-CB 3.77Å; R116-L154 HydrophobicContact CB-CD1 4.41Å; R116-L154 HydrophobicContact CG-CB 4.16Å; R116-L154 HydrophobicContact CG-CD1 4.25Å; E120-L154 HydrophobicContact CB-CD1 4.22Å; E120-L154 HydrophobicContact CG-CD1 3.91Å; I150-L154 PolarHBondContact O-N 2.89Å; F151-L154 HydrophobicContact CD1-CD1 4.18Å; F151-L154 PolarHBondContact O-N 2.96Å; L154-R186 WeakPolarHBondContact O-CD 3.34Å; L154-R186 PolarHBondContact O-NE 3.2Å
155S98.8Very high98.7Very high0 Ų023.7 Ų23.70%011%0.113CC..BIsolated β-bridgetrans-57.4145177.1-61.90000110.8E43 S44 I115 R116 Y153E43-S155 WeakPolarHBondContact CB-OG 3.44Å; E43-S155 PolarHBondContact OE2-OG 2.95Å; S44-S155 WeakPolarHBondContact O-CB 3.46Å; S44-S155 PolarHBondContact O-OG 3.35Å; S44-S155 VanDerWaalsContact O-OG 3.06Å; I115-S155 CarbonylContact C-O 3.47Å; I115-S155 WeakPolarHBondContact CA-O 3.14Å; I115-S155 VanDerWaalsContact CB-O 3.3Å; I115-S155 WeakPolarHBondContact CB-O 3.45Å; R116-S155 PolarHBondContact N-O 2.79Å; Y153-S155 PolarHBondContact O-N 2.62Å
156L98.9Very high98.7Very high0 Ų016.9 Ų16.90%09%0.088CC..SBendtrans-80.6-23.6-176.6-62.8178.9000112.8N45 I184 R186 M196 L199N45-L156 HydrophobicContact CB-CD1 4.44Å; N45-L156 PolarHBondContact O-N 2.89Å; L156-I184 HydrophobicContact CD1-CB 4.06Å; L156-I184 HydrophobicContact CD1-CD1 4Å; L156-I184 HydrophobicContact CD1-CG2 3.78Å; L156-R186 HydrophobicContact CD1-CB 4.01Å; L156-R186 HydrophobicContact CD2-CB 4.12Å; L156-R186 HydrophobicContact CG-CB 3.96Å; L156-M196 HydrophobicContact CD1-CG 4.23Å; L156-M196 HydrophobicContact CD2-CE 4Å; L156-M196 HydrophobicContact CD2-CG 4.01Å; L156-L199 HydrophobicContact CB-CD1 4.39Å; L156-L199 HydrophobicContact CD1-CD1 4.28Å
157S98.9Very high98.7Very high0 Ų014.9 Ų14.90%08%0.08CC..EExtended strand (participates in β ladder)trans-162.2170.4-17561.20000110.7N45 V46 Q47 F165 C166N45-S157 PolarHBondContact O-N 2.75Å; N45-S157 VanDerWaalsContact O-O 3.11Å; N45-S157 PolarHBondContact O-OG 2.77Å; V46-S157 WeakPolarHBondContact CA-O 3.5Å; V46-S157 WeakPolarHBondContact CA-OG 3.38Å; V46-S157 WeakPolarHBondContact CG2-OG 3.36Å; Q47-S157 PolarHBondContact N-O 3Å; S157-F165 VanDerWaalsContact CB-CE2 3.45Å; S157-C166 CarbonylContact C-O 3.11Å; S157-C166 WeakPolarHBondContact CA-O 3.47Å; S157-C166 WeakPolarHBondContact CB-O 3.32Å
158A98.9Very high98.8Very high0 Ų014.9 Ų14.90%08%0.08CC..EExtended strand (participates in β ladder)trans-134162.3171.700000111.4Q47 V49 L82 I115 C166Q47-A158 HydrophobicContact CB-CB 4.42Å; Q47-A158 CarbonylContact O-C 3.44Å; Q47-A158 WeakPolarHBondContact O-CA 3.41Å; Q47-A158 WeakPolarHBondContact O-CB 3.21Å; V49-A158 HydrophobicContact CG2-CB 4.09Å; L82-A158 HydrophobicContact CD1-CB 3.8Å; L82-A158 HydrophobicContact CD2-CB 3.97Å; I115-A158 HydrophobicContact CG2-CB 4.23Å; A158-C166 HydrophobicContact CB-CB 4.17Å; A158-C166 PolarHBondContact N-O 2.73Å; A158-C166 PolarHBondContact O-N 2.97Å
159I98.8Very high98.8Very high11 Ų1114.8 Ų14.86%0.0568%0.079CC..EExtended strand (participates in β ladder)trans-130.2115172.1-173.373000108.6V46 Q47 V49 G162 I164 F165 L178 I235V46-I159 HydrophobicContact CG1-CB 4Å; V46-I159 HydrophobicContact CG1-CG2 3.88Å; Q47-I159 PolarHBondContact O-N 3.18Å; V49-I159 PolarHBondContact N-O 3.47Å; I159-G162 VanDerWaalsContact CG1-CA 3.5Å; I159-I164 WeakPolarHBondContact CA-O 3.43Å; I159-F165 HydrophobicContact CD1-CB 4.19Å; I159-L178 HydrophobicContact CD1-CD1 4.13Å; I159-L178 HydrophobicContact CG1-CD1 4.49Å; I159-I235 HydrophobicContact CD1-CG2 3.69Å
160I98.9Very high98.7Very high0 Ų010.9 Ų10.90%06%0.061CC..EExtended strand (participates in β ladder)trans-89.4121.7179.2-51.7170000108.6V49 V53 V55 L82 G162 K163 I164 C166 L279 L283V49-I160 HydrophobicContact CB-CG1 4.17Å; V49-I160 HydrophobicContact CG1-CG1 4.34Å; V49-I160 VanDerWaalsContact O-CA 3.27Å; V49-I160 WeakPolarHBondContact O-CA 3.43Å; V53-I160 HydrophobicContact CG1-CD1 3.88Å; V53-I160 HydrophobicContact CG1-CG1 4.38Å; V53-I160 HydrophobicContact CG1-CG2 3.86Å; V55-I160 HydrophobicContact CG2-CD1 3.64Å; L82-I160 HydrophobicContact CD2-CD1 3.94Å; L82-I160 HydrophobicContact CD2-CG1 4.22Å; I160-G162 PolarHBondContact O-N 2.75Å; I160-K163 PolarHBondContact O-N 3.45Å; I160-I164 HydrophobicContact CB-CB 4.2Å; I160-I164 HydrophobicContact CD1-CG2 4.49Å; I160-I164 PolarHBondContact N-O 2.91Å; I160-I164 PolarHBondContact O-N 3.18Å; I160-I164 VanDerWaalsContact O-N 3.07Å; I160-C166 VanDerWaalsContact CD1-SG 3.56Å; I160-L279 HydrophobicContact CD1-CD1 3.65Å; I160-L279 HydrophobicContact CG2-CD1 4.19Å; I160-L283 HydrophobicContact CG2-CD2 4.08Å
161D98.4Very high98.7Very high51 Ų5111 Ų1127%0.2736%0.061SC..THydrogen-bonded Turntrans50.125.4-179.9-68.8-12.2000114.6V49 D50 S51 K163 L283V49-D161 PolarHBondContact O-N 3.07Å; D50-D161 VanDerWaalsContact CA-OD1 3.3Å; D50-D161 WeakPolarHBondContact CA-OD1 3.38Å; S51-D161 WeakPolarHBondContact CB-OD2 3.42Å; S51-D161 PolarHBondContact N-OD1 2.9Å; S51-D161 PolarHBondContact OG-OD2 3.41Å; D161-K163 PolarHBondContact O-N 3.43Å; D161-L283 HydrophobicContact CB-CD1 4.01Å; D161-L283 HydrophobicContact CB-CD2 4.24Å; D161-L283 HydrophobicContact CB-CG 4.48Å; D161-L283 VanDerWaalsContact OD2-CD2 3.28Å; D161-L283 WeakPolarHBondContact OD2-CD2 3.43Å
162G98Very high98.7Very high38 Ų3811 Ų1139%0.3926%0.062SC..THydrogen-bonded Turntrans70.42.7-174.700000114.8I159 I160I159-G162 VanDerWaalsContact CG1-CA 3.5Å; I160-G162 PolarHBondContact O-N 2.75Å
163K98.2Very high98.7Very high47 Ų4712.5 Ų12.520%0.2047%0.072CC..THydrogen-bonded Turntrans-120.8-25.9-169-67.1-53-173.8-177.80115.6I160 D161 D234 I235 H236 L283I160-K163 PolarHBondContact O-N 3.45Å; D161-K163 PolarHBondContact O-N 3.43Å; K163-D234 WeakPolarHBondContact CD-O 3.19Å; K163-D234 PolarHBondContact NZ-O 3.46Å; K163-D234 IonicContact NZ-OD1 3.62Å; K163-D234 PolarHBondContact NZ-OD1 3.05Å; K163-D234 IonicContact NZ-OD2 2.89Å; K163-D234 PolarHBondContact NZ-OD2 3.08Å; K163-I235 CarbonylContact O-C 3.51Å; K163-H236 PolarHBondContact O-N 3.13Å; K163-L283 HydrophobicContact CB-CD1 4.27Å
164I98.8Very high98.7Very high7 Ų713 Ų134%0.0368%0.084CC..EExtended strand (participates in β ladder)trans-117.4111179.7-57.7173.7000108.6I159 I160 M237 C239 L279 L283I159-I164 WeakPolarHBondContact CA-O 3.43Å; I160-I164 HydrophobicContact CB-CB 4.2Å; I160-I164 HydrophobicContact CD1-CG2 4.49Å; I160-I164 PolarHBondContact N-O 2.91Å; I160-I164 PolarHBondContact O-N 3.18Å; I160-I164 VanDerWaalsContact O-N 3.07Å; I164-M237 HydrophobicContact CB-CG 4.42Å; I164-M237 HydrophobicContact CD1-SD 4.42Å; I164-M237 HydrophobicContact CG1-CG 3.93Å; I164-M237 HydrophobicContact CG1-SD 4.45Å; I164-M237 HydrophobicContact CG2-CG 4.06Å; I164-C239 HydrophobicContact CG2-CB 3.88Å; I164-L279 HydrophobicContact CD1-CD1 3.71Å; I164-L279 HydrophobicContact CD1-CD2 3.98Å; I164-L283 HydrophobicContact CD1-CD2 4.25Å
165F98.9Very high98.6Very high0 Ų013.5 Ų13.50%09%0.087CC..EExtended strand (participates in β ladder)trans-83.5121.2177.8175.7-120.3000109.8S157 I159 V167 L171 L178 I181 L199 F229 I235 M237 I238 C239S157-F165 VanDerWaalsContact CB-CE2 3.45Å; I159-F165 HydrophobicContact CD1-CB 4.19Å; F165-V167 HydrophobicContact CD1-CG1 4.34Å; F165-V167 HydrophobicContact CE1-CB 3.86Å; F165-V167 HydrophobicContact CE1-CG1 3.76Å; F165-V167 HydrophobicContact CZ-CB 3.89Å; F165-V167 HydrophobicContact CZ-CG1 4.32Å; F165-V167 HydrophobicContact CZ-CG2 4.38Å; F165-L171 HydrophobicContact CE1-CD2 4.26Å; F165-L178 HydrophobicContact CD2-CD2 3.42Å; F165-L178 VanDerWaalsContact CD2-CD2 3.42Å; F165-L178 HydrophobicContact CE2-CD2 3.52Å; F165-L178 HydrophobicContact CG-CD2 4.09Å; F165-L178 HydrophobicContact CZ-CD2 4.27Å; F165-I181 HydrophobicContact CE2-CD1 3.81Å; F165-I181 HydrophobicContact CZ-CD1 3.52Å; F165-L199 HydrophobicContact CZ-CD2 4.4Å; F165-F229 AromaticContact CD1-CE1 3.85Å; F165-F229 HydrophobicContact CD1-CE1 3.85Å; F165-F229 HydrophobicContact CD1-CZ 4.34Å; F165-F229 HydrophobicContact CE1-CE1 4.16Å; F165-F229 HydrophobicContact CE1-CZ 4.24Å; F165-F229 HydrophobicContact CG-CE1 4.35Å; F165-I235 HydrophobicContact CB-CD1 3.49Å; F165-I235 VanDerWaalsContact CB-CD1 3.49Å; F165-I235 HydrophobicContact CG-CD1 4.31Å; F165-M237 PolarHBondContact N-O 2.61Å; F165-I238 HydrophobicContact CD1-CG1 4.22Å; F165-I238 HydrophobicContact CD1-CG2 4.09Å; F165-I238 CarbonylContact O-C 3.46Å; F165-I238 VanDerWaalsContact O-CA 3.28Å; F165-I238 WeakPolarHBondContact O-CA 3.41Å; F165-C239 PolarHBondContact O-N 3.09Å
166C98.9Very high98.6Very high0 Ų020.1 Ų20.10%012%0.117CC..EExtended strand (participates in β ladder)trans-108.4126.7-179-65.80000110.9L82 M84 S157 A158 I160 C239L82-C166 HydrophobicContact CD2-CB 3.59Å; L82-C166 VanDerWaalsContact CD2-SG 3.5Å; M84-C166 HydrophobicContact SD-CB 4.26Å; S157-C166 CarbonylContact C-O 3.11Å; S157-C166 WeakPolarHBondContact CA-O 3.47Å; S157-C166 WeakPolarHBondContact CB-O 3.32Å; A158-C166 HydrophobicContact CB-CB 4.17Å; A158-C166 PolarHBondContact N-O 2.73Å; A158-C166 PolarHBondContact O-N 2.97Å; I160-C166 VanDerWaalsContact CD1-SG 3.56Å; C166-C239 VanDerWaalsContact CA-O 3.22Å; C166-C239 WeakPolarHBondContact CA-O 3.35Å
167V98.9Very high98.6Very high0 Ų022.2 Ų22.20%013%0.131CC..EExtended strand (participates in β ladder)trans-148.4145.3-179.865.20000109.4F165 L199 I238 C239 R240F165-V167 HydrophobicContact CD1-CG1 4.34Å; F165-V167 HydrophobicContact CE1-CB 3.86Å; F165-V167 HydrophobicContact CE1-CG1 3.76Å; F165-V167 HydrophobicContact CZ-CB 3.89Å; F165-V167 HydrophobicContact CZ-CG1 4.32Å; F165-V167 HydrophobicContact CZ-CG2 4.38Å; V167-L199 HydrophobicContact CG2-CB 4.12Å; V167-L199 HydrophobicContact CG2-CD2 3.95Å; V167-L199 WeakPolarHBondContact CG2-O 3.35Å; V167-I238 HydrophobicContact CG1-CG2 4.11Å; V167-C239 PolarHBondContact N-O 2.95Å; V167-R240 HydrophobicContact CG1-CB 4.4Å; V167-R240 WeakPolarHBondContact O-CA 3.24Å; V167-R240 VanDerWaalsContact O-CB 3.22Å; V167-R240 WeakPolarHBondContact O-CB 3.39Å
168H98.9Very high98.6Very high0 Ų022.9 Ų22.90%013%0.134CC..SBendtrans-63.7-58.9179.7177.773000112D58 M84 D86 R116 G117 N118 L200 R240 A241 H242D58-H168 IonicContact OD1-CE1 3.21Å; D58-H168 IonicContact OD1-ND1 3.93Å; D58-H168 IonicContact OD2-CE1 3.16Å; M84-H168 VanDerWaalsContact O-CB 3.24Å; M84-H168 WeakPolarHBondContact O-CB 3.46Å; M84-H168 VanDerWaalsContact O-CG 3.29Å; M84-H168 PolarHBondContact O-ND1 3.15Å; D86-H168 IonicContact OD1-CE1 2.63Å; D86-H168 PolarHBondContact OD1-CE1 3.48Å; D86-H168 IonicContact OD1-NE2 2.84Å; D86-H168 PolarHBondContact OD1-NE2 3.33Å; D86-H168 IonicContact OD2-CE1 3.79Å; D86-H168 PolarHBondContact OD2-CE1 3.18Å; D86-H168 IonicContact OD2-NE2 3.43Å; D86-H168 PolarHBondContact OD2-NE2 3.25Å; R116-H168 WeakPolarHBondContact O-CB 3.47Å; G117-H168 VanDerWaalsContact CA-CG 3.45Å; N118-H168 PolarHBondContact N-CD2 3.33Å; N118-H168 PolarHBondContact OD1-NE2 3Å; H168-L200 HydrophobicContact CB-CD2 4.34Å; H168-L200 PolarHBondContact CD2-O 3.15Å; H168-L200 VanDerWaalsContact CD2-O 3.3Å; H168-R240 PolarHBondContact O-NE 3.25Å; H168-R240 PolarHBondContact O-NH2 3.18Å; H168-A241 CarbonylContact O-C 3.54Å; H168-A241 PolarHBondContact O-N 3.09Å; H168-H242 AromaticContact CD2-ND1 3.81Å; H168-H242 WeakPolarHBondContact NE2-CB 3.25Å; H168-H242 AromaticContact NE2-CG 3.54Å; H168-H242 AromaticContact NE2-ND1 3.06Å; H168-H242 PolarHBondContact NE2-ND1 3.36Å
169G98.8Very high98.5Very high0 Ų027.5 Ų27.50%016%0.159CC..SBendtrans-76.7-108177.100000111.7L199 S202 R240G169-L199 CarbonylContact C-O 3.14Å; G169-L199 WeakPolarHBondContact CA-O 2.99Å; G169-L199 PolarHBondContact N-O 3.11Å; G169-S202 CarbonylContact C-O 3.57Å; G169-R240 WeakPolarHBondContact O-CD 3.48Å; G169-R240 PolarHBondContact O-NE 3.38Å; G169-R240 PolarHBondContact O-NH2 3.12Å
170G98.4Very high98.5Very high0 Ų030.4 Ų30.40%017%0.172CC..  trans-165.8-150-176.500000112.5L199 S202G170-L199 PolarHBondContact N-O 2.82Å; G170-L199 WeakPolarHBondContact O-CA 3.5Å; G170-S202 PolarHBondContact N-O 2.75Å
171L98.8Very high98.5Very high3 Ų330.4 Ų30.42%0.01617%0.172CC..  trans-81161.1-177-60.1-178.8000112F165 S202 W210 F221 V225 V226 F229 I238F165-L171 HydrophobicContact CE1-CD2 4.26Å; L171-S202 VanDerWaalsContact O-CB 3.28Å; L171-S202 WeakPolarHBondContact O-CB 3.3Å; L171-S202 PolarHBondContact O-OG 2.9Å; L171-S202 VanDerWaalsContact O-OG 3.09Å; L171-W210 HydrophobicContact CB-CH2 3.63Å; L171-W210 HydrophobicContact CB-CZ3 4.22Å; L171-W210 WeakPolarHBondContact O-CZ3 3.15Å; L171-F221 HydrophobicContact CB-CG 4.41Å; L171-F221 HydrophobicContact CD1-CD2 4.32Å; L171-F221 HydrophobicContact CG-CD2 4.48Å; L171-F221 HydrophobicContact CG-CE2 4.47Å; L171-V225 HydrophobicContact CD1-CG1 3.92Å; L171-V226 HydrophobicContact CD1-CG2 4.12Å; L171-F229 HydrophobicContact CD1-CB 3.84Å; L171-F229 HydrophobicContact CD1-CD1 4.38Å; L171-F229 HydrophobicContact CD1-CG 4.05Å; L171-F229 HydrophobicContact CD2-CD1 3.69Å; L171-F229 HydrophobicContact CD2-CD2 4.01Å; L171-F229 HydrophobicContact CD2-CE1 3.79Å; L171-F229 HydrophobicContact CD2-CE2 4.11Å; L171-F229 HydrophobicContact CD2-CG 3.8Å; L171-F229 HydrophobicContact CD2-CZ 4Å; L171-I238 HydrophobicContact CD1-CD1 3.81Å; L171-I238 HydrophobicContact CD2-CD1 3.72Å; L171-I238 HydrophobicContact CG-CD1 3.86Å
172S98.7Very high98.5Very high1 Ų133.3 Ų33.31%0.00718%0.179CC..  trans-119.7140.2173.6174.80000110.6S174 I175 D198 W210S172-S174 PolarHBondContact O-N 2.93Å; S172-S174 VanDerWaalsContact O-N 3.13Å; S172-S174 WeakPolarHBondContact OG-CB 3.3Å; S172-S174 PolarHBondContact OG-N 3.4Å; S172-S174 VanDerWaalsContact OG-N 3.08Å; S172-I175 PolarHBondContact O-N 3.29Å; S172-I175 VanDerWaalsContact O-O 3.09Å; S172-D198 VanDerWaalsContact CB-CB 3.43Å; S172-D198 WeakPolarHBondContact CB-OD2 3.47Å; S172-D198 PolarHBondContact OG-OD2 3.5Å; S172-W210 WeakPolarHBondContact O-CH2 3.22Å
173P98.2Very high98.6Very high48 Ų4837 Ų3731%0.31220%0.195SC..THydrogen-bonded Turntrans-63-17171.326.4-34.3000112.8W210 Y219P173-W210 VanDerWaalsContact CA-CZ2 3.41Å; P173-W210 HydrophobicContact CB-CD2 3.97Å; P173-W210 HydrophobicContact CB-CE3 4.41Å; P173-W210 HydrophobicContact CB-CG 4.36Å; P173-W210 HydrophobicContact CB-CH2 4.47Å; P173-W210 HydrophobicContact CB-CZ2 4.03Å; P173-W210 HydrophobicContact CG-CD2 4.5Å; P173-W210 HydrophobicContact CG-CE3 4.5Å; P173-Y219 VanDerWaalsContact CD-CD2 3.49Å; P173-Y219 HydrophobicContact CG-CD1 4.36Å; P173-Y219 HydrophobicContact CG-CD2 3.78Å; P173-Y219 HydrophobicContact CG-CE1 4.18Å; P173-Y219 HydrophobicContact CG-CE2 3.58Å; P173-Y219 HydrophobicContact CG-CG 4.18Å
174S97.9Very high98.6Very high68 Ų6836 Ų3648%0.47619%0.191SC..THydrogen-bonded Turntrans-88.2-4.2177.3-55.20000113.5S172S172-S174 PolarHBondContact O-N 2.93Å; S172-S174 VanDerWaalsContact O-N 3.13Å; S172-S174 WeakPolarHBondContact OG-CB 3.3Å; S172-S174 PolarHBondContact OG-N 3.4Å; S172-S174 VanDerWaalsContact OG-N 3.08Å
175I98.4Very high98.5Very high10 Ų1040.7 Ų40.75%0.05122%0.216CC..  trans-126.8115.2-174.1-57.8172.5000109.3S172 T177 Q180 I181 I184 P195 L199 F229S172-I175 PolarHBondContact O-N 3.29Å; S172-I175 VanDerWaalsContact O-O 3.09Å; I175-T177 WeakPolarHBondContact CG2-O 3.35Å; I175-Q180 HydrophobicContact CG2-CB 4.31Å; I175-I181 HydrophobicContact CD1-CG1 4Å; I175-I181 HydrophobicContact CG2-CD1 4.06Å; I175-I181 HydrophobicContact CG2-CG1 3.56Å; I175-I184 HydrophobicContact CD1-CD1 4.24Å; I175-P195 HydrophobicContact CD1-CB 3.56Å; I175-P195 HydrophobicContact CG1-CB 3.74Å; I175-L199 HydrophobicContact CD1-CD1 3.74Å; I175-L199 HydrophobicContact CD1-CD2 3.97Å; I175-L199 HydrophobicContact CD1-CG 3.76Å; I175-F229 HydrophobicContact CG2-CE2 4.22Å
176Q97.9Very high98.5Very high138 Ų13841.2 Ų41.265%0.64522%0.218SC*.SBendtrans-105-25.2174.5-62.7177.7200111.7F229 N233Q176-F229 WeakPolarHBondContact O-CD2 3.24Å; Q176-N233 PolarHBondContact O-ND2 2.88Å
177T98.5Very high98.5Very high45 Ų4545.9 Ų45.928%0.27624%0.238SC..SBendtrans-132.1152.5-175.361.90000112.9I175 D179 Q180 N233I175-T177 WeakPolarHBondContact CG2-O 3.35Å; T177-D179 PolarHBondContact O-N 2.71Å; T177-Q180 PolarHBondContact O-N 3.15Å; T177-Q180 VanDerWaalsContact O-N 3.16Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.45Å; T177-Q180 PolarHBondContact OG1-OE1 2.86Å; T177-N233 WeakPolarHBondContact CA-OD1 3.46Å
178L98.6Very high98.4Very high13 Ų1350 Ų507%0.06826%0.257CS..Hα-helixtrans-59.3-30.8173.4-64.5177.4000112.1V46 I159 F165 Q180 I181 R182 F229 N233 I235V46-L178 HydrophobicContact CG1-CD2 4.43Å; I159-L178 HydrophobicContact CD1-CD1 4.13Å; I159-L178 HydrophobicContact CG1-CD1 4.49Å; F165-L178 HydrophobicContact CD2-CD2 3.42Å; F165-L178 VanDerWaalsContact CD2-CD2 3.42Å; F165-L178 HydrophobicContact CE2-CD2 3.52Å; F165-L178 HydrophobicContact CG-CD2 4.09Å; F165-L178 HydrophobicContact CZ-CD2 4.27Å; L178-Q180 VanDerWaalsContact C-N 3.3Å; L178-Q180 PolarHBondContact O-N 3.2Å; L178-I181 HydrophobicContact CD2-CD1 4.13Å; L178-I181 WeakPolarHBondContact O-CB 3.46Å; L178-I181 PolarHBondContact O-N 2.89Å; L178-I181 VanDerWaalsContact O-N 3.15Å; L178-R182 PolarHBondContact O-N 2.89Å; L178-R182 VanDerWaalsContact O-N 3.15Å; L178-F229 HydrophobicContact CD2-CE1 4.44Å; L178-F229 HydrophobicContact CD2-CZ 3.98Å; L178-N233 HydrophobicContact CD1-CB 4.33Å; L178-N233 HydrophobicContact CG-CB 4.19Å; L178-N233 PolarHBondContact N-OD1 3.21Å; L178-I235 HydrophobicContact CD1-CG2 4.38Å
179D98.4Very high98.4Very high98 Ų9851.9 Ų51.952%0.52427%0.266SS..Hα-helixtrans-62.5-35.9176.9-77.6-32.6000112.7T177 I181 R182 T183T177-D179 PolarHBondContact O-N 2.71Å; D179-I181 VanDerWaalsContact C-N 3.29Å; D179-I181 PolarHBondContact O-N 2.99Å; D179-R182 WeakPolarHBondContact O-CB 3.46Å; D179-R182 PolarHBondContact O-N 2.91Å; D179-R182 VanDerWaalsContact O-N 3.17Å; D179-R182 IonicContact OD1-CZ 2.91Å; D179-R182 IonicContact OD1-NH1 2.61Å; D179-R182 PolarHBondContact OD1-NH1 3.35Å; D179-T183 PolarHBondContact O-N 3.25Å
180Q98.7Very high98.4Very high72 Ų7252.3 Ų52.334%0.33627%0.269SS..Hα-helixtrans-63.7-38.3175.5-70.2167.9-60.200111.1I175 T177 L178 R182 T183I175-Q180 HydrophobicContact CG2-CB 4.31Å; T177-Q180 PolarHBondContact O-N 3.15Å; T177-Q180 VanDerWaalsContact O-N 3.16Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.45Å; T177-Q180 PolarHBondContact OG1-OE1 2.86Å; L178-Q180 VanDerWaalsContact C-N 3.3Å; L178-Q180 PolarHBondContact O-N 3.2Å; Q180-R182 VanDerWaalsContact C-N 3.33Å; Q180-R182 PolarHBondContact O-N 3.4Å; Q180-T183 PolarHBondContact O-N 2.78Å; Q180-T183 PolarHBondContact O-OG1 2.91Å
181I98.8Very high98.3Very high0 Ų054.3 Ų54.30%028%0.282CS..Hα-helixtrans-61.9-42.1174.7-52.7177.5000110.5N45 V46 F165 I175 L178 D179 T183 I184 L199N45-I181 HydrophobicContact CB-CG2 4.17Å; N45-I181 WeakPolarHBondContact CB-O 3.32Å; N45-I181 PolarHBondContact ND2-O 3.3Å; V46-I181 HydrophobicContact CG2-CB 3.63Å; V46-I181 HydrophobicContact CG2-CD1 4.46Å; V46-I181 HydrophobicContact CG2-CG2 3.61Å; F165-I181 HydrophobicContact CE2-CD1 3.81Å; F165-I181 HydrophobicContact CZ-CD1 3.52Å; I175-I181 HydrophobicContact CD1-CG1 4Å; I175-I181 HydrophobicContact CG2-CD1 4.06Å; I175-I181 HydrophobicContact CG2-CG1 3.56Å; L178-I181 HydrophobicContact CD2-CD1 4.13Å; L178-I181 WeakPolarHBondContact O-CB 3.46Å; L178-I181 PolarHBondContact O-N 2.89Å; L178-I181 VanDerWaalsContact O-N 3.15Å; D179-I181 VanDerWaalsContact C-N 3.29Å; D179-I181 PolarHBondContact O-N 2.99Å; I181-T183 PolarHBondContact O-N 2.91Å; I181-T183 VanDerWaalsContact O-N 3.14Å; I181-I184 HydrophobicContact CG2-CD1 4.4Å; I181-I184 PolarHBondContact O-N 3.46Å; I181-L199 HydrophobicContact CD1-CD1 4.5Å; I181-L199 HydrophobicContact CD1-CD2 4Å; I181-L199 HydrophobicContact CG1-CD1 4.3Å; I181-L199 HydrophobicContact CG2-CD1 3.88Å
182R98.5Very high98.1Very high112 Ų11260.6 Ų60.642%0.42331%0.311SS..Hα-helixtrans-58.8-25.8178.2-65.7174.4-179.3134.73113.5N45 V46 L178 D179 Q180N45-R182 PolarHBondContact ND2-O 2.71Å; V46-R182 HydrophobicContact CB-CG 4.13Å; V46-R182 HydrophobicContact CG2-CG 3.8Å; L178-R182 PolarHBondContact O-N 2.89Å; L178-R182 VanDerWaalsContact O-N 3.15Å; D179-R182 WeakPolarHBondContact O-CB 3.46Å; D179-R182 PolarHBondContact O-N 2.91Å; D179-R182 VanDerWaalsContact O-N 3.17Å; D179-R182 IonicContact OD1-CZ 2.91Å; D179-R182 IonicContact OD1-NH1 2.61Å; D179-R182 PolarHBondContact OD1-NH1 3.35Å; Q180-R182 VanDerWaalsContact C-N 3.33Å; Q180-R182 PolarHBondContact O-N 3.4Å
183T98.3Very high98Very high116 Ų11666.5 Ų66.571%0.71234%0.342SS*.THydrogen-bonded Turntrans-88.4-9.4-178.964.60000115.3D179 Q180 I181 D185D179-T183 PolarHBondContact O-N 3.25Å; Q180-T183 PolarHBondContact O-N 2.78Å; Q180-T183 PolarHBondContact O-OG1 2.91Å; I181-T183 PolarHBondContact O-N 2.91Å; I181-T183 VanDerWaalsContact O-N 3.14Å; T183-D185 PolarHBondContact O-N 2.85Å
184I98.6Very high98Very high26 Ų2665.3 Ų65.313%0.13334%0.339CS..SBendtrans-63.6131.4179.9-63172.5000110N45 L156 I175 I181 R186 P195 M196 L199N45-I184 PolarHBondContact ND2-N 3.02Å; N45-I184 PolarHBondContact ND2-O 3.47Å; L156-I184 HydrophobicContact CD1-CB 4.06Å; L156-I184 HydrophobicContact CD1-CD1 4Å; L156-I184 HydrophobicContact CD1-CG2 3.78Å; I175-I184 HydrophobicContact CD1-CD1 4.24Å; I181-I184 HydrophobicContact CG2-CD1 4.4Å; I181-I184 PolarHBondContact O-N 3.46Å; I184-R186 PolarHBondContact O-N 3.42Å; I184-P195 HydrophobicContact CD1-CB 4.04Å; I184-P195 HydrophobicContact CD1-CG 4.41Å; I184-M196 HydrophobicContact CG2-CB 4.13Å; I184-L199 HydrophobicContact CD1-CD1 3.83Å
185D98.1Very high98Very high105 Ų10564.3 Ų64.356%0.56133%0.331SS*.  trans-75.694.9166.7-174.66.1000109.1T183 K187 Q188T183-D185 PolarHBondContact O-N 2.85Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact OD1-N 2.9Å; D185-Q188 PolarHBondContact O-NE2 2.95Å
186R98.3Very high98Very high11 Ų1164.1 Ų64.14%0.04233%0.33CS..  trans-78.2-14.9-175.871.2167.2-175.1-90.75.1114.4L40 E43 N45 D152 Y153 L154 L156 I184 Q188L40-R186 PolarHBondContact O-NH2 3.18Å; E43-R186 VanDerWaalsContact O-CZ 3.28Å; E43-R186 PolarHBondContact O-NH1 2.88Å; E43-R186 PolarHBondContact O-NH2 3.08Å; N45-R186 WeakPolarHBondContact OD1-CD 3.39Å; N45-R186 VanDerWaalsContact OD1-CG 3.26Å; N45-R186 WeakPolarHBondContact OD1-CG 3.46Å; N45-R186 PolarHBondContact OD1-NH1 2.77Å; D152-R186 CarbonylContact O-C 3.53Å; D152-R186 VanDerWaalsContact O-O 3.04Å; Y153-R186 PolarHBondContact O-NE 2.99Å; Y153-R186 PolarHBondContact O-NH2 3.04Å; Y153-R186 VanDerWaalsContact O-NH2 3.14Å; L154-R186 WeakPolarHBondContact O-CD 3.34Å; L154-R186 PolarHBondContact O-NE 3.2Å; L156-R186 HydrophobicContact CD1-CB 4.01Å; L156-R186 HydrophobicContact CD2-CB 4.12Å; L156-R186 HydrophobicContact CG-CB 3.96Å; I184-R186 PolarHBondContact O-N 3.42Å; R186-Q188 PolarHBondContact O-N 3.35Å
187K97.9Very high98.1Very high98 Ų9857.6 Ų57.643%0.42630%0.299SS..SBendtrans-79.751.1-168.3-63.7171.8-172.8167.60112.3D152 Y153 D185D152-K187 WeakPolarHBondContact O-CA 3.43Å; Y153-K187 HydrophobicContact CD1-CD 4.48Å; Y153-K187 HydrophobicContact CD1-CG 4.43Å; Y153-K187 HydrophobicContact CE1-CD 4.16Å; Y153-K187 HydrophobicContact CE1-CG 4.4Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact OD1-N 2.9Å
188Q98.2Very high98.1Very high85 Ų8555.6 Ų55.640%0.39729%0.287SS..SBendtrans-149.8167.5-177.559.8-176.6-5000110.2R116 D152 D185 R186 M196R116-Q188 PolarHBondContact NH1-O 3.24Å; D152-Q188 VanDerWaalsContact OD1-O 3.08Å; D185-Q188 PolarHBondContact O-NE2 2.95Å; R186-Q188 PolarHBondContact O-N 3.35Å; Q188-M196 HydrophobicContact CG-SD 4.29Å
189E98.4Very high98.1Very high41 Ų4155 Ų5519%0.19228%0.284CS..PPolyproline II helixtrans-58.4144.1166.5-176.858.8-155.500110.1S121 R122 Q123 P191S121-E189 WeakPolarHBondContact CA-OE1 3.04Å; S121-E189 WeakPolarHBondContact CB-OE1 3.17Å; S121-E189 PolarHBondContact OG-OE1 3.03Å; R122-E189 VanDerWaalsContact CB-OE2 3.32Å; R122-E189 WeakPolarHBondContact CB-OE2 3.24Å; R122-E189 WeakPolarHBondContact CD-OE2 3.09Å; R122-E189 WeakPolarHBondContact CG-OE2 3.39Å; R122-E189 IonicContact CZ-OE2 2.8Å; R122-E189 PolarHBondContact N-OE1 3.34Å; R122-E189 PolarHBondContact N-OE2 3.39Å; R122-E189 VanDerWaalsContact N-OE2 3.14Å; R122-E189 IonicContact NE-OE2 3.37Å; R122-E189 IonicContact NH1-OE2 3.92Å; R122-E189 PolarHBondContact NH1-OE2 2.75Å; Q123-E189 PolarHBondContact N-OE1 2.95Å; E189-P191 VanDerWaalsContact O-CD 3.24Å; E189-P191 WeakPolarHBondContact O-CD 3.34Å
190V98.2Very high98.1Very high9 Ų950.4 Ų50.46%0.05526%0.259CS..PPolyproline II helixtrans-58120.3176.8-176.40000109.2M196 L200V190-M196 HydrophobicContact CG2-CE 4.08Å; V190-L200 HydrophobicContact CB-CD1 4.48Å; V190-L200 HydrophobicContact CG1-CD1 3.93Å; V190-L200 HydrophobicContact CG2-CD1 3.65Å
191P97.8Very high98.1Very high41 Ų4148.9 Ų48.927%0.26625%0.251SS..PPolyproline II helixtrans-66.2163.4176.6-20.533.4000111.9E189 D193 C197E189-P191 VanDerWaalsContact O-CD 3.24Å; E189-P191 WeakPolarHBondContact O-CD 3.34Å; P191-D193 VanDerWaalsContact C-N 3.29Å; P191-D193 WeakPolarHBondContact CB-O 3.21Å; P191-D193 PolarHBondContact O-N 3.48Å; P191-C197 WeakPolarHBondContact O-CB 3.41Å
192H94.3Very high98.1Very high135 Ų13548.9 Ų48.963%0.62525%0.251SS*.SBendtrans-75.9-17.1176.2-65.2-74.7000113.6Q123Q123-H192 PolarHBondContact NE2-CE1 2.72Å; Q123-H192 PolarHBondContact NE2-NE2 3.47Å; Q123-H192 PolarHBondContact OE1-CE1 3.04Å
193D96.6Very high98.1Very high125 Ų12543.8 Ų43.867%0.66823%0.232SC*.SBendtrans-148.6175.2179.365.12.2000111.9P191P191-D193 VanDerWaalsContact C-N 3.29Å; P191-D193 WeakPolarHBondContact CB-O 3.21Å; P191-D193 PolarHBondContact O-N 3.48Å
194G97.9Very high98.2Very high24 Ų2438.5 Ų38.525%0.24720%0.199CC..SBendtrans86.5-178176.300000114.4M196 C197 D198G194-M196 VanDerWaalsContact C-N 3.33Å; G194-M196 PolarHBondContact O-N 2.81Å; G194-C197 WeakPolarHBondContact O-CB 3.39Å; G194-C197 PolarHBondContact O-N 2.93Å; G194-D198 PolarHBondContact O-N 3.33Å
195P98.3Very high98.1Very high47 Ų4741.6 Ų41.631%0.30521%0.213SC..Hα-helixtrans-61.8-36.4-163.322.3-34000114I175 I184 L199I175-P195 HydrophobicContact CD1-CB 3.56Å; I175-P195 HydrophobicContact CG1-CB 3.74Å; I184-P195 HydrophobicContact CD1-CB 4.04Å; I184-P195 HydrophobicContact CD1-CG 4.41Å; P195-L199 VanDerWaalsContact O-CG 3.24Å; P195-L199 WeakPolarHBondContact O-CG 3.5Å; P195-L199 PolarHBondContact O-N 3.47Å; P195-L199 VanDerWaalsContact O-N 3.09Å
196M98.8Very high97.9Very high5 Ų543.1 Ų43.13%0.02522%0.222CC..Hα-helixtrans-68.2-42.2176.9-176.2179.6172.600111.8L156 I184 Q188 V190 G194 L200L156-M196 HydrophobicContact CD1-CG 4.23Å; L156-M196 HydrophobicContact CD2-CE 4Å; L156-M196 HydrophobicContact CD2-CG 4.01Å; I184-M196 HydrophobicContact CG2-CB 4.13Å; Q188-M196 HydrophobicContact CG-SD 4.29Å; V190-M196 HydrophobicContact CG2-CE 4.08Å; G194-M196 VanDerWaalsContact C-N 3.33Å; G194-M196 PolarHBondContact O-N 2.81Å; M196-L200 WeakPolarHBondContact O-CG 3.36Å
197C98.7Very high97.5Very high1 Ų145.5 Ų45.51%0.00724%0.237CC..Hα-helixtrans-60.5-50.4174.5177.20000110.1P191 G194 L199 L200 W201P191-C197 WeakPolarHBondContact O-CB 3.41Å; G194-C197 WeakPolarHBondContact O-CB 3.39Å; G194-C197 PolarHBondContact O-N 2.93Å; C197-L199 VanDerWaalsContact C-N 3.33Å; C197-L199 PolarHBondContact O-N 3.46Å; C197-L200 PolarHBondContact O-N 3.06Å; C197-W201 WeakPolarHBondContact O-CB 3.47Å; C197-W201 VanDerWaalsContact O-CD1 3.25Å; C197-W201 PolarHBondContact O-N 2.9Å
198D98.8Very high97.4Very high4 Ų446.5 Ų46.52%0.02125%0.252CS..Hα-helixtrans-59.8-41.2-176.5-61.9-20.1000112.8S172 G194 L200 W201 S202 Y219S172-D198 VanDerWaalsContact CB-CB 3.43Å; S172-D198 WeakPolarHBondContact CB-OD2 3.47Å; S172-D198 PolarHBondContact OG-OD2 3.5Å; G194-D198 PolarHBondContact O-N 3.33Å; D198-L200 PolarHBondContact O-N 3.46Å; D198-W201 PolarHBondContact O-N 3.47Å; D198-S202 WeakPolarHBondContact O-CB 3.43Å; D198-S202 PolarHBondContact O-N 3.37Å; D198-S202 PolarHBondContact O-OG 3.28Å; D198-Y219 WeakPolarHBondContact OD1-CD2 3.13Å; D198-Y219 WeakPolarHBondContact OD1-CE2 3.46Å
199L98.9Very high97.4Very high1 Ų143.1 Ų43.11%0.00524%0.24CC..Hα-helixtrans-59.5-29176-74.2169.6000112.5L156 F165 V167 G169 G170 I175 I181 I184 P195 C197L156-L199 HydrophobicContact CB-CD1 4.39Å; L156-L199 HydrophobicContact CD1-CD1 4.28Å; F165-L199 HydrophobicContact CZ-CD2 4.4Å; V167-L199 HydrophobicContact CG2-CB 4.12Å; V167-L199 HydrophobicContact CG2-CD2 3.95Å; V167-L199 WeakPolarHBondContact CG2-O 3.35Å; G169-L199 CarbonylContact C-O 3.14Å; G169-L199 WeakPolarHBondContact CA-O 2.99Å; G169-L199 PolarHBondContact N-O 3.11Å; G170-L199 PolarHBondContact N-O 2.82Å; G170-L199 WeakPolarHBondContact O-CA 3.5Å; I175-L199 HydrophobicContact CD1-CD1 3.74Å; I175-L199 HydrophobicContact CD1-CD2 3.97Å; I175-L199 HydrophobicContact CD1-CG 3.76Å; I181-L199 HydrophobicContact CD1-CD1 4.5Å; I181-L199 HydrophobicContact CD1-CD2 4Å; I181-L199 HydrophobicContact CG1-CD1 4.3Å; I181-L199 HydrophobicContact CG2-CD1 3.88Å; I184-L199 HydrophobicContact CD1-CD1 3.83Å; P195-L199 VanDerWaalsContact O-CG 3.24Å; P195-L199 WeakPolarHBondContact O-CG 3.5Å; P195-L199 PolarHBondContact O-N 3.47Å; P195-L199 VanDerWaalsContact O-N 3.09Å; C197-L199 VanDerWaalsContact C-N 3.33Å; C197-L199 PolarHBondContact O-N 3.46Å
200L98.8Very high97.4Very high0 Ų045.7 Ų45.70%025%0.248CC..Hα-helixtrans-96.7-17.4-178.1-57.2-178000113.2R116 N118 H168 V190 M196 C197 D198R116-L200 HydrophobicContact CB-CD2 4.36Å; R116-L200 HydrophobicContact CG-CD1 4.44Å; R116-L200 WeakPolarHBondContact O-CD2 3.44Å; N118-L200 HydrophobicContact CB-CB 4.18Å; H168-L200 HydrophobicContact CB-CD2 4.34Å; H168-L200 PolarHBondContact CD2-O 3.15Å; H168-L200 VanDerWaalsContact CD2-O 3.3Å; V190-L200 HydrophobicContact CB-CD1 4.48Å; V190-L200 HydrophobicContact CG1-CD1 3.93Å; V190-L200 HydrophobicContact CG2-CD1 3.65Å; M196-L200 WeakPolarHBondContact O-CG 3.36Å; C197-L200 PolarHBondContact O-N 3.06Å; D198-L200 PolarHBondContact O-N 3.46Å
201W98.8Very high97.4Very high40 Ų4046.2 Ų46.215%0.15226%0.256CS..Hα-helixtrans-123.5-12.7-169.3-74.793.4000115.9N118 I124 C197 D198 R215 A217N118-W201 HydrophobicContact CB-CD2 3.95Å; N118-W201 VanDerWaalsContact CB-CE2 3.49Å; N118-W201 HydrophobicContact CB-CG 4.33Å; N118-W201 HydrophobicContact CB-CH2 4.41Å; N118-W201 HydrophobicContact CB-CZ2 3.75Å; N118-W201 WeakPolarHBondContact ND2-CH2 3.3Å; N118-W201 WeakPolarHBondContact ND2-CZ2 3.38Å; I124-W201 HydrophobicContact CD1-CH2 3.89Å; I124-W201 HydrophobicContact CD1-CZ2 3.77Å; I124-W201 HydrophobicContact CG1-CZ2 4.1Å; C197-W201 WeakPolarHBondContact O-CB 3.47Å; C197-W201 VanDerWaalsContact O-CD1 3.25Å; C197-W201 PolarHBondContact O-N 2.9Å; D198-W201 PolarHBondContact O-N 3.47Å; W201-R215 HydrophobicContact CE3-CB 4.17Å; W201-R215 HydrophobicContact CZ3-CB 4.39Å; W201-A217 HydrophobicContact CB-CB 4.13Å; W201-A217 HydrophobicContact CD2-CB 3.85Å; W201-A217 HydrophobicContact CE3-CB 4.17Å; W201-A217 HydrophobicContact CG-CB 3.84Å
202S98.8Very high97.3Very high0 Ų050.5 Ų50.50%028%0.281CS..  trans-77.7151.9-173.6-58.20000112.8G169 G170 L171 D198 Y219 R240G169-S202 CarbonylContact C-O 3.57Å; G170-S202 PolarHBondContact N-O 2.75Å; L171-S202 VanDerWaalsContact O-CB 3.28Å; L171-S202 WeakPolarHBondContact O-CB 3.3Å; L171-S202 PolarHBondContact O-OG 2.9Å; L171-S202 VanDerWaalsContact O-OG 3.09Å; D198-S202 WeakPolarHBondContact O-CB 3.43Å; D198-S202 PolarHBondContact O-N 3.37Å; D198-S202 PolarHBondContact O-OG 3.28Å; S202-Y219 CarbonylContact C-O 3.52Å; S202-Y219 WeakPolarHBondContact CA-O 3.46Å; S202-Y219 WeakPolarHBondContact CB-O 3.32Å; S202-Y219 PolarHBondContact OG-N 2.86Å; S202-R240 PolarHBondContact O-NH2 3.26Å
203D98.8Very high97.4Very high5 Ų544.3 Ų44.33%0.02725%0.253CS..EExtended strand (participates in β ladder)trans-130.2142.1-174.8-78.1-32.2000113.1R215 Y219 L220 F221 R240 H242 Q243D203-R215 IonicContact OD1-NE 3.73Å; D203-R215 IonicContact OD1-NH2 3.02Å; D203-R215 PolarHBondContact OD1-NH2 3.04Å; D203-R215 IonicContact OD2-CZ 3.16Å; D203-R215 IonicContact OD2-NE 2.67Å; D203-R215 PolarHBondContact OD2-NE 3.18Å; D203-R215 IonicContact OD2-NH2 2.63Å; D203-R215 PolarHBondContact OD2-NH2 3.35Å; D203-Y219 PolarHBondContact N-O 2.8Å; D203-L220 HydrophobicContact CB-CD2 3.89Å; D203-L220 CarbonylContact O-C 3.57Å; D203-L220 VanDerWaalsContact O-CA 3.26Å; D203-L220 WeakPolarHBondContact O-CA 3.46Å; D203-F221 VanDerWaalsContact C-CD1 3.46Å; D203-F221 WeakPolarHBondContact O-CD1 3.33Å; D203-F221 WeakPolarHBondContact O-CE1 3.41Å; D203-F221 PolarHBondContact O-N 3.4Å; D203-R240 IonicContact OD1-CZ 3.92Å; D203-R240 IonicContact OD1-NH1 2.81Å; D203-R240 PolarHBondContact OD1-NH1 3.17Å; D203-R240 IonicContact OD1-NH2 3.06Å; D203-H242 IonicContact OD1-CD2 2.85Å; D203-H242 PolarHBondContact OD1-CD2 3.44Å; D203-Q243 WeakPolarHBondContact OD1-CG 3.15Å; D203-Q243 PolarHBondContact OD1-NE2 2.81Å; D203-Q243 PolarHBondContact OD2-NE2 3.14Å
204P98.4Very high97.3Very high5 Ų543.9 Ų43.93%0.03226%0.256CS..EExtended strand (participates in β ladder)trans-69.7136.6168.429.6-34.5000111F221 H252 F253 V257P204-F221 WeakPolarHBondContact CA-O 3.37Å; P204-F221 HydrophobicContact CB-CE1 4.46Å; P204-F221 HydrophobicContact CB-CE2 3.85Å; P204-F221 HydrophobicContact CB-CZ 3.83Å; P204-F221 HydrophobicContact CG-CZ 4.26Å; P204-F221 VanDerWaalsContact N-CE1 3.33Å; P204-H252 HydrophobicContact CB-CB 4.43Å; P204-F253 HydrophobicContact CB-CE2 3.55Å; P204-F253 HydrophobicContact CB-CZ 3.73Å; P204-V257 HydrophobicContact CG-CG1 4.5Å
205E96.8Very high97.1Very high92 Ų9247.3 Ų47.343%0.4326%0.262SS..  trans-138.8149.6175.4-17661.8-9000111.3T207 L220 F221 F253E205-T207 HydrophobicContact CB-CG2 4.12Å; E205-T207 HydrophobicContact CG-CG2 4.23Å; E205-T207 PolarHBondContact O-N 3.4Å; E205-L220 HydrophobicContact CB-CB 4Å; E205-L220 HydrophobicContact CB-CD1 4.23Å; E205-L220 HydrophobicContact CB-CD2 4.43Å; E205-L220 HydrophobicContact CB-CG 4.44Å; E205-L220 HydrophobicContact CG-CD1 4.14Å; E205-F221 PolarHBondContact N-O 3.25Å; E205-F221 VanDerWaalsContact N-O 3.07Å; E205-F253 VanDerWaalsContact O-CE1 3.25Å; E205-F253 WeakPolarHBondContact O-CE1 2.98Å; E205-F253 WeakPolarHBondContact O-CZ 3.15Å
206D94.3Very high96.9Very high137 Ų13748.6 Ų48.673%0.73328%0.284SS*.SBendtrans-74.757.7176.6-71.5-33.4000111.7
207T90.8Very high96.8Very high61 Ų6149.2 Ų49.237%0.37429%0.29SS..SBendtrans-125.8172.1177-167.40000110.7E205 G222E205-T207 HydrophobicContact CB-CG2 4.12Å; E205-T207 HydrophobicContact CG-CG2 4.23Å; E205-T207 PolarHBondContact O-N 3.4Å; T207-G222 WeakPolarHBondContact O-CA 3.47Å
208T95.7Very high96.8Very high118 Ų11849.7 Ų49.772%0.72430%0.295SS*.SBendtrans-100.4134.9171.6-54.80000109.8
209G97.9Very high96.8Very high15 Ų1553.8 Ų53.816%0.15531%0.311CS..SBendtrans71.1-141.1178.600000112.8G222 D224 V225G209-G222 PolarHBondContact O-N 3.43Å; G209-D224 WeakPolarHBondContact CA-OD2 3.19Å; G209-D224 PolarHBondContact N-OD1 2.97Å; G209-D224 PolarHBondContact N-OD2 2.94Å; G209-V225 WeakPolarHBondContact O-CG2 3.49Å
210W98.3Very high96.8Very high94 Ų9455 Ų5536%0.35632%0.317SS..EExtended strand (participates in β ladder)trans-105.1143.6-178.1-6195.2000111.4L171 S172 P173 Y219 L220 F221 V225L171-W210 HydrophobicContact CB-CH2 3.63Å; L171-W210 HydrophobicContact CB-CZ3 4.22Å; L171-W210 WeakPolarHBondContact O-CZ3 3.15Å; S172-W210 WeakPolarHBondContact O-CH2 3.22Å; P173-W210 VanDerWaalsContact CA-CZ2 3.41Å; P173-W210 HydrophobicContact CB-CD2 3.97Å; P173-W210 HydrophobicContact CB-CE3 4.41Å; P173-W210 HydrophobicContact CB-CG 4.36Å; P173-W210 HydrophobicContact CB-CH2 4.47Å; P173-W210 HydrophobicContact CB-CZ2 4.03Å; P173-W210 HydrophobicContact CG-CD2 4.5Å; P173-W210 HydrophobicContact CG-CE3 4.5Å; W210-Y219 HydrophobicContact CE3-CG 4.26Å; W210-L220 CarbonylContact C-O 3.54Å; W210-L220 WeakPolarHBondContact CA-O 3.45Å; W210-F221 HydrophobicContact CE3-CB 3.85Å; W210-F221 HydrophobicContact CH2-CB 4.31Å; W210-F221 HydrophobicContact CZ3-CB 3.68Å; W210-V225 HydrophobicContact CD2-CG1 4.39Å; W210-V225 HydrophobicContact CD2-CG2 4.27Å; W210-V225 HydrophobicContact CG-CG2 4.42Å; W210-V225 HydrophobicContact CH2-CG1 3.6Å; W210-V225 HydrophobicContact CZ2-CB 4.43Å; W210-V225 HydrophobicContact CZ2-CG1 3.2Å; W210-V225 HydrophobicContact CZ2-CG2 4.38Å; W210-V225 HydrophobicContact CZ3-CG1 4.34Å
211G97.3Very high96.8Very high21 Ų2155 Ų5522%0.21632%0.317CS..EExtended strand (participates in β ladder)trans-127.6160.9172.600000112.1Y219 L220G211-Y219 WeakPolarHBondContact O-CA 3.38Å; G211-Y219 WeakPolarHBondContact O-CD1 3.45Å; G211-L220 PolarHBondContact N-O 3.24Å; G211-L220 PolarHBondContact O-N 3.03Å
212V95.7Very high96.7Very high131 Ų13153 Ų5379%0.79431%0.31SS*.EExtended strand (participates in β ladder)trans-73128.5173.8178.10000109.1
213S96.6Very high96.7Very high5 Ų556 Ų564%0.03533%0.33CS..  trans-69.2132.1176.9176.90000111.4R215 G216 A217 G218S213-R215 PolarHBondContact O-N 3.29Å; S213-R215 WeakPolarHBondContact OG-CB 3.37Å; S213-R215 WeakPolarHBondContact OG-CG 3.17Å; S213-R215 PolarHBondContact OG-N 2.84Å; S213-G216 PolarHBondContact O-N 3.22Å; S213-A217 WeakPolarHBondContact CB-O 3.08Å; S213-A217 PolarHBondContact OG-O 3.04Å; S213-G218 WeakPolarHBondContact CB-O 3.46Å
214P95.4Very high96.7Very high115 Ų11558.1 Ų58.175%0.74734%0.342SS*.THydrogen-bonded Turntrans-68.8-10.3173.431.1-35.5000112.6G216P214-G216 PolarHBondContact O-N 2.99Å
215R93.9Very high96.7Very high96 Ų9658.4 Ų58.436%0.36234%0.343SS..THydrogen-bonded Turntrans-71.9-14.7176.3-56.6-176.8-178.3-103.29.6113.2W201 D203 S213 A217 H242W201-R215 HydrophobicContact CE3-CB 4.17Å; W201-R215 HydrophobicContact CZ3-CB 4.39Å; D203-R215 IonicContact OD1-NE 3.73Å; D203-R215 IonicContact OD1-NH2 3.02Å; D203-R215 PolarHBondContact OD1-NH2 3.04Å; D203-R215 IonicContact OD2-CZ 3.16Å; D203-R215 IonicContact OD2-NE 2.67Å; D203-R215 PolarHBondContact OD2-NE 3.18Å; D203-R215 IonicContact OD2-NH2 2.63Å; D203-R215 PolarHBondContact OD2-NH2 3.35Å; S213-R215 PolarHBondContact O-N 3.29Å; S213-R215 WeakPolarHBondContact OG-CB 3.37Å; S213-R215 WeakPolarHBondContact OG-CG 3.17Å; S213-R215 PolarHBondContact OG-N 2.84Å; R215-A217 PolarHBondContact O-N 3.16Å; R215-H242 WeakPolarHBondContact CD-NE2 3.39Å; R215-H242 VanDerWaalsContact CZ-CD2 3.46Å; R215-H242 PolarHBondContact NE-NE2 2.98Å; R215-H242 VanDerWaalsContact NE-NE2 3.17Å; R215-H242 PolarHBondContact NH1-NE2 2.99Å; R215-H242 PolarHBondContact NH2-CD2 2.79Å
216G94.3Very high96.8Very high74 Ų7454 Ų5476%0.76332%0.323SS*.SBendtrans78.75-172.200000114.2S213 P214S213-G216 PolarHBondContact O-N 3.22Å; P214-G216 PolarHBondContact O-N 2.99Å
217A96.6Very high97Very high18 Ų1850.3 Ų50.315%0.14931%0.311CS..SBendtrans-148.7148.8175.600000109.6W201 S213 R215W201-A217 HydrophobicContact CB-CB 4.13Å; W201-A217 HydrophobicContact CD2-CB 3.85Å; W201-A217 HydrophobicContact CE3-CB 4.17Å; W201-A217 HydrophobicContact CG-CB 3.84Å; S213-A217 WeakPolarHBondContact CB-O 3.08Å; S213-A217 PolarHBondContact OG-O 3.04Å; R215-A217 PolarHBondContact O-N 3.16Å
218G97.7Very high97.4Very high12 Ų1253.8 Ų53.812%0.12432%0.323CS..SBendtrans69.2-166.7-175.100000114.1S213S213-G218 WeakPolarHBondContact CB-O 3.46Å
219Y98.5Very high97.5Very high90 Ų9048.6 Ų48.635%0.35329%0.291SS..EExtended strand (participates in β ladder)trans-132159.7-176.4-67.2-94.7000112.2P173 D198 S202 D203 W210 G211P173-Y219 VanDerWaalsContact CD-CD2 3.49Å; P173-Y219 HydrophobicContact CG-CD1 4.36Å; P173-Y219 HydrophobicContact CG-CD2 3.78Å; P173-Y219 HydrophobicContact CG-CE1 4.18Å; P173-Y219 HydrophobicContact CG-CE2 3.58Å; P173-Y219 HydrophobicContact CG-CG 4.18Å; D198-Y219 WeakPolarHBondContact OD1-CD2 3.13Å; D198-Y219 WeakPolarHBondContact OD1-CE2 3.46Å; S202-Y219 CarbonylContact C-O 3.52Å; S202-Y219 WeakPolarHBondContact CA-O 3.46Å; S202-Y219 WeakPolarHBondContact CB-O 3.32Å; S202-Y219 PolarHBondContact OG-N 2.86Å; D203-Y219 PolarHBondContact N-O 2.8Å; W210-Y219 HydrophobicContact CE3-CG 4.26Å; G211-Y219 WeakPolarHBondContact O-CA 3.38Å; G211-Y219 WeakPolarHBondContact O-CD1 3.45Å
220L98.6Very high97.5Very high25 Ų2548.6 Ų48.613%0.13129%0.287CS..EExtended strand (participates in β ladder)trans-85.5139.7159.4-56-178.8000108.7D203 E205 W210 G211D203-L220 HydrophobicContact CB-CD2 3.89Å; D203-L220 CarbonylContact O-C 3.57Å; D203-L220 VanDerWaalsContact O-CA 3.26Å; D203-L220 WeakPolarHBondContact O-CA 3.46Å; E205-L220 HydrophobicContact CB-CB 4Å; E205-L220 HydrophobicContact CB-CD1 4.23Å; E205-L220 HydrophobicContact CB-CD2 4.43Å; E205-L220 HydrophobicContact CB-CG 4.44Å; E205-L220 HydrophobicContact CG-CD1 4.14Å; W210-L220 CarbonylContact C-O 3.54Å; W210-L220 WeakPolarHBondContact CA-O 3.45Å; G211-L220 PolarHBondContact N-O 3.24Å; G211-L220 PolarHBondContact O-N 3.03Å
221F98.8Very high97.5Very high0 Ų048 Ų480%030%0.303CS..EExtended strand (participates in β ladder)trans-131.1136.3177.661.8-88.9000112.4L171 D203 P204 E205 W210 V225 V226 F253 V257L171-F221 HydrophobicContact CB-CG 4.41Å; L171-F221 HydrophobicContact CD1-CD2 4.32Å; L171-F221 HydrophobicContact CG-CD2 4.48Å; L171-F221 HydrophobicContact CG-CE2 4.47Å; D203-F221 VanDerWaalsContact C-CD1 3.46Å; D203-F221 WeakPolarHBondContact O-CD1 3.33Å; D203-F221 WeakPolarHBondContact O-CE1 3.41Å; D203-F221 PolarHBondContact O-N 3.4Å; P204-F221 WeakPolarHBondContact CA-O 3.37Å; P204-F221 HydrophobicContact CB-CE1 4.46Å; P204-F221 HydrophobicContact CB-CE2 3.85Å; P204-F221 HydrophobicContact CB-CZ 3.83Å; P204-F221 HydrophobicContact CG-CZ 4.26Å; P204-F221 VanDerWaalsContact N-CE1 3.33Å; E205-F221 PolarHBondContact N-O 3.25Å; E205-F221 VanDerWaalsContact N-O 3.07Å; W210-F221 HydrophobicContact CE3-CB 3.85Å; W210-F221 HydrophobicContact CH2-CB 4.31Å; W210-F221 HydrophobicContact CZ3-CB 3.68Å; F221-V225 HydrophobicContact CB-CB 4.33Å; F221-V225 HydrophobicContact CB-CG1 4.2Å; F221-V226 HydrophobicContact CD2-CG2 3.65Å; F221-V226 HydrophobicContact CE2-CG2 3.71Å; F221-F253 HydrophobicContact CD2-CE2 4.25Å; F221-F253 HydrophobicContact CE2-CE2 4.21Å; F221-F253 VanDerWaalsContact O-CZ 3.3Å; F221-F253 WeakPolarHBondContact O-CZ 3.16Å; F221-V257 HydrophobicContact CE2-CG2 4.41Å
222G98.6Very high97.6Very high0 Ų050 Ų500%032%0.317CS..  trans-90.4172.8-179.700000114.8T207 G209 D224 V225 V226T207-G222 WeakPolarHBondContact O-CA 3.47Å; G209-G222 PolarHBondContact O-N 3.43Å; G222-D224 VanDerWaalsContact C-N 3.26Å; G222-D224 PolarHBondContact O-N 3.31Å; G222-V225 WeakPolarHBondContact O-CB 3.5Å; G222-V225 PolarHBondContact O-N 3.41Å; G222-V225 VanDerWaalsContact O-N 3.17Å; G222-V226 PolarHBondContact O-N 3.29Å
223S98.4Very high97.7Very high62 Ų6245.2 Ų45.243%0.43429%0.287SS..Hα-helixtrans-58.1-32.2178.962.80000114.5V226 A227S223-V226 PolarHBondContact O-N 3.26Å; S223-A227 WeakPolarHBondContact O-CB 3.42Å; S223-A227 PolarHBondContact O-N 2.89Å
224D98.3Very high97.8Very high50 Ų5050.3 Ų50.327%0.26731%0.314SS..Hα-helixtrans-70.4-34.817961-62.5000112.4G209 G222 A227 Q228G209-D224 WeakPolarHBondContact CA-OD2 3.19Å; G209-D224 PolarHBondContact N-OD1 2.97Å; G209-D224 PolarHBondContact N-OD2 2.94Å; G222-D224 VanDerWaalsContact C-N 3.26Å; G222-D224 PolarHBondContact O-N 3.31Å; D224-A227 PolarHBondContact O-N 3.33Å; D224-Q228 VanDerWaalsContact O-CG 3.3Å; D224-Q228 WeakPolarHBondContact O-CG 3.44Å; D224-Q228 PolarHBondContact O-N 2.76Å; D224-Q228 VanDerWaalsContact O-N 3.12Å; D224-Q228 PolarHBondContact O-NE2 2.94Å
225V98.6Very high97.9Very high11 Ų1145.2 Ų45.27%0.06728%0.28CS..Hα-helixtrans-64.7-45.5173.2177.50000110L171 G209 W210 F221 G222 Q228 F229L171-V225 HydrophobicContact CD1-CG1 3.92Å; G209-V225 WeakPolarHBondContact O-CG2 3.49Å; W210-V225 HydrophobicContact CD2-CG1 4.39Å; W210-V225 HydrophobicContact CD2-CG2 4.27Å; W210-V225 HydrophobicContact CG-CG2 4.42Å; W210-V225 HydrophobicContact CH2-CG1 3.6Å; W210-V225 HydrophobicContact CZ2-CB 4.43Å; W210-V225 HydrophobicContact CZ2-CG1 3.2Å; W210-V225 HydrophobicContact CZ2-CG2 4.38Å; W210-V225 HydrophobicContact CZ3-CG1 4.34Å; F221-V225 HydrophobicContact CB-CB 4.33Å; F221-V225 HydrophobicContact CB-CG1 4.2Å; G222-V225 WeakPolarHBondContact O-CB 3.5Å; G222-V225 PolarHBondContact O-N 3.41Å; G222-V225 VanDerWaalsContact O-N 3.17Å; V225-Q228 PolarHBondContact O-N 2.91Å; V225-F229 PolarHBondContact O-N 3.18Å
226V98.6Very high98.1Very high0 Ų046.4 Ų46.40%029%0.289CS..Hα-helixtrans-62.6-45.3177.5176.80000111L171 F221 G222 S223 Q228 F229 N230 I238 F253 V257L171-V226 HydrophobicContact CD1-CG2 4.12Å; F221-V226 HydrophobicContact CD2-CG2 3.65Å; F221-V226 HydrophobicContact CE2-CG2 3.71Å; G222-V226 PolarHBondContact O-N 3.29Å; S223-V226 PolarHBondContact O-N 3.26Å; V226-Q228 VanDerWaalsContact C-N 3.3Å; V226-Q228 PolarHBondContact O-N 3.28Å; V226-F229 PolarHBondContact O-N 2.93Å; V226-N230 WeakPolarHBondContact O-CB 3.37Å; V226-N230 PolarHBondContact O-N 2.98Å; V226-N230 PolarHBondContact O-OD1 3.35Å; V226-I238 HydrophobicContact CG1-CD1 4.05Å; V226-I238 HydrophobicContact CG2-CD1 4.39Å; V226-F253 HydrophobicContact CB-CD2 4.48Å; V226-F253 HydrophobicContact CG2-CD2 3.84Å; V226-F253 HydrophobicContact CG2-CE2 4.01Å; V226-V257 HydrophobicContact CB-CG2 4.31Å; V226-V257 HydrophobicContact CG1-CG2 3.73Å; V226-V257 HydrophobicContact CG2-CG2 3.66Å
227A98.4Very high98.3Very high59 Ų5943.3 Ų43.349%0.48826%0.255SS..Hα-helixtrans-59.3-42.1179.300000112S223 D224 A231S223-A227 WeakPolarHBondContact O-CB 3.42Å; S223-A227 PolarHBondContact O-N 2.89Å; D224-A227 PolarHBondContact O-N 3.33Å; A227-A231 VanDerWaalsContact O-CB 3.3Å; A227-A231 WeakPolarHBondContact O-CB 3.46Å; A227-A231 PolarHBondContact O-N 3.36Å; A227-A231 VanDerWaalsContact O-N 3.08Å
228Q98.4Very high98.4Very high134 Ų13442.5 Ų42.563%0.62625%0.248SC*.Hα-helixtrans-64.8-47.2176.1-71.7171.541.500111.9D224 V225 V226 A231 A232D224-Q228 VanDerWaalsContact O-CG 3.3Å; D224-Q228 WeakPolarHBondContact O-CG 3.44Å; D224-Q228 PolarHBondContact O-N 2.76Å; D224-Q228 VanDerWaalsContact O-N 3.12Å; D224-Q228 PolarHBondContact O-NE2 2.94Å; V225-Q228 PolarHBondContact O-N 2.91Å; V226-Q228 VanDerWaalsContact C-N 3.3Å; V226-Q228 PolarHBondContact O-N 3.28Å; Q228-A231 PolarHBondContact O-N 2.94Å; Q228-A232 WeakPolarHBondContact O-CB 3.47Å; Q228-A232 PolarHBondContact O-N 2.85Å
229F98.8Very high98.4Very high9 Ų941.9 Ų41.94%0.03924%0.242CC..Hα-helixtrans-63.7-44.7179.6-174.6-94.3000111.7F165 L171 I175 Q176 L178 V225 V226 A231 A232 N233 I235 I238F165-F229 AromaticContact CD1-CE1 3.85Å; F165-F229 HydrophobicContact CD1-CE1 3.85Å; F165-F229 HydrophobicContact CD1-CZ 4.34Å; F165-F229 HydrophobicContact CE1-CE1 4.16Å; F165-F229 HydrophobicContact CE1-CZ 4.24Å; F165-F229 HydrophobicContact CG-CE1 4.35Å; L171-F229 HydrophobicContact CD1-CB 3.84Å; L171-F229 HydrophobicContact CD1-CD1 4.38Å; L171-F229 HydrophobicContact CD1-CG 4.05Å; L171-F229 HydrophobicContact CD2-CD1 3.69Å; L171-F229 HydrophobicContact CD2-CD2 4.01Å; L171-F229 HydrophobicContact CD2-CE1 3.79Å; L171-F229 HydrophobicContact CD2-CE2 4.11Å; L171-F229 HydrophobicContact CD2-CG 3.8Å; L171-F229 HydrophobicContact CD2-CZ 4Å; I175-F229 HydrophobicContact CG2-CE2 4.22Å; Q176-F229 WeakPolarHBondContact O-CD2 3.24Å; L178-F229 HydrophobicContact CD2-CE1 4.44Å; L178-F229 HydrophobicContact CD2-CZ 3.98Å; V225-F229 PolarHBondContact O-N 3.18Å; V226-F229 PolarHBondContact O-N 2.93Å; F229-A231 PolarHBondContact O-N 2.98Å; F229-A232 PolarHBondContact O-N 3.41Å; F229-N233 WeakPolarHBondContact O-CB 3.28Å; F229-N233 PolarHBondContact O-N 2.79Å; F229-N233 VanDerWaalsContact O-N 3.15Å; F229-N233 PolarHBondContact O-ND2 2.85Å; F229-I235 HydrophobicContact CD1-CD1 3.78Å; F229-I235 HydrophobicContact CE1-CD1 3.62Å; F229-I238 HydrophobicContact CD1-CD1 4.29Å
230N98.6Very high98.5Very high14 Ų1437.6 Ų37.68%0.07523%0.226CC..Hα-helixtrans-61.9-45.5179-74.310.1000111.6V226 N233 D234 I235 H236V226-N230 WeakPolarHBondContact O-CB 3.37Å; V226-N230 PolarHBondContact O-N 2.98Å; V226-N230 PolarHBondContact O-OD1 3.35Å; N230-N233 PolarHBondContact O-N 2.67Å; N230-D234 PolarHBondContact O-N 2.86Å; N230-I235 HydrophobicContact CB-CG1 4.01Å; N230-I235 WeakPolarHBondContact CB-O 3.45Å; N230-I235 PolarHBondContact O-N 3.41Å; N230-I235 VanDerWaalsContact OD1-CD1 3.3Å; N230-I235 WeakPolarHBondContact OD1-CD1 3.43Å; N230-I235 WeakPolarHBondContact OD1-CG1 3.42Å; N230-H236 PolarHBondContact ND2-O 3.02Å
231A98.4Very high98.5Very high83 Ų8336.4 Ų36.469%0.68622%0.219SC*.Hα-helixtrans-64-40.5177.600000112.7A227 Q228 F229 N233A227-A231 VanDerWaalsContact O-CB 3.3Å; A227-A231 WeakPolarHBondContact O-CB 3.46Å; A227-A231 PolarHBondContact O-N 3.36Å; A227-A231 VanDerWaalsContact O-N 3.08Å; Q228-A231 PolarHBondContact O-N 2.94Å; F229-A231 PolarHBondContact O-N 2.98Å; A231-N233 VanDerWaalsContact C-N 3.26Å; A231-N233 PolarHBondContact O-N 3.29Å
232A98.4Very high98.5Very high63 Ų6337 Ų3752%0.52122%0.222SC..Hα-helixtrans-67.7-25.7179.700000113.3Q228 F229Q228-A232 WeakPolarHBondContact O-CB 3.47Å; Q228-A232 PolarHBondContact O-N 2.85Å; F229-A232 PolarHBondContact O-N 3.41Å
233N98.6Very high98.4Very high29 Ų2939 Ų3916%0.15523%0.231CC..Hα-helixtrans-112.71.5-173.4-65.9-78.1000114.2Q176 T177 L178 F229 N230 A231 I235Q176-N233 PolarHBondContact O-ND2 2.88Å; T177-N233 WeakPolarHBondContact CA-OD1 3.46Å; L178-N233 HydrophobicContact CD1-CB 4.33Å; L178-N233 HydrophobicContact CG-CB 4.19Å; L178-N233 PolarHBondContact N-OD1 3.21Å; F229-N233 WeakPolarHBondContact O-CB 3.28Å; F229-N233 PolarHBondContact O-N 2.79Å; F229-N233 VanDerWaalsContact O-N 3.15Å; F229-N233 PolarHBondContact O-ND2 2.85Å; N230-N233 PolarHBondContact O-N 2.67Å; A231-N233 VanDerWaalsContact C-N 3.26Å; A231-N233 PolarHBondContact O-N 3.29Å; N233-I235 HydrophobicContact CB-CG1 4.33Å; N233-I235 HydrophobicContact CB-CG2 4.19Å; N233-I235 PolarHBondContact O-N 3.29Å
234D98.2Very high98.4Very high112 Ų11239.3 Ų39.360%0.59923%0.228SC*.THydrogen-bonded Turntrans52.639-175.7-172.634.2000113.4K163 N230K163-D234 WeakPolarHBondContact CD-O 3.19Å; K163-D234 PolarHBondContact NZ-O 3.46Å; K163-D234 IonicContact NZ-OD1 3.62Å; K163-D234 PolarHBondContact NZ-OD1 3.05Å; K163-D234 IonicContact NZ-OD2 2.89Å; K163-D234 PolarHBondContact NZ-OD2 3.08Å; N230-D234 PolarHBondContact O-N 2.86Å
235I97.6Very high98.3Very high9 Ų937.4 Ų37.45%0.04622%0.218CC..  trans-103.2146.9175.463.6168.7000110.7I159 K163 F165 L178 F229 N230 N233 I238I159-I235 HydrophobicContact CD1-CG2 3.69Å; K163-I235 CarbonylContact O-C 3.51Å; F165-I235 HydrophobicContact CB-CD1 3.49Å; F165-I235 VanDerWaalsContact CB-CD1 3.49Å; F165-I235 HydrophobicContact CG-CD1 4.31Å; L178-I235 HydrophobicContact CD1-CG2 4.38Å; F229-I235 HydrophobicContact CD1-CD1 3.78Å; F229-I235 HydrophobicContact CE1-CD1 3.62Å; N230-I235 HydrophobicContact CB-CG1 4.01Å; N230-I235 WeakPolarHBondContact CB-O 3.45Å; N230-I235 PolarHBondContact O-N 3.41Å; N230-I235 VanDerWaalsContact OD1-CD1 3.3Å; N230-I235 WeakPolarHBondContact OD1-CD1 3.43Å; N230-I235 WeakPolarHBondContact OD1-CG1 3.42Å; N233-I235 HydrophobicContact CB-CG1 4.33Å; N233-I235 HydrophobicContact CB-CG2 4.19Å; N233-I235 PolarHBondContact O-N 3.29Å; I235-I238 HydrophobicContact CD1-CG1 4.24Å
236H97.4Very high98.2Very high120 Ų12041.2 Ų41.256%0.55624%0.236SC*.SBendtrans-83.8-41.4-178.7-63.5164.5000112.2K163 N230K163-H236 PolarHBondContact O-N 3.13Å; N230-H236 PolarHBondContact ND2-O 3.02Å
237M98.1Very high98.2Very high10 Ų1047 Ų475%0.04926%0.263CS..EExtended strand (participates in β ladder)trans-154.4161.9-177.461.3170.6-73.300112.1I164 F165 C239 W251 T256 L258I164-M237 HydrophobicContact CB-CG 4.42Å; I164-M237 HydrophobicContact CD1-SD 4.42Å; I164-M237 HydrophobicContact CG1-CG 3.93Å; I164-M237 HydrophobicContact CG1-SD 4.45Å; I164-M237 HydrophobicContact CG2-CG 4.06Å; F165-M237 PolarHBondContact N-O 2.61Å; M237-C239 HydrophobicContact CE-CB 4.23Å; M237-W251 HydrophobicContact CE-CH2 3.5Å; M237-W251 HydrophobicContact CE-CZ3 3.48Å; M237-W251 VanDerWaalsContact CE-CZ3 3.48Å; M237-W251 HydrophobicContact SD-CH2 3.7Å; M237-W251 HydrophobicContact SD-CZ3 3.93Å; M237-T256 CarbonylContact C-O 3.18Å; M237-T256 VanDerWaalsContact CA-O 3.28Å; M237-T256 WeakPolarHBondContact CA-O 3.32Å; M237-T256 WeakPolarHBondContact CB-O 3.4Å; M237-L258 HydrophobicContact CE-CB 3.48Å; M237-L258 VanDerWaalsContact CE-CB 3.48Å; M237-L258 HydrophobicContact CE-CD2 3.96Å; M237-L258 HydrophobicContact CE-CG 4.4Å
238I98.9Very high98.2Very high0 Ų044.2 Ų44.20%024%0.24CC..EExtended strand (participates in β ladder)trans-102.7130.5170.1-55.6173.6000108.1F165 V167 L171 V226 F229 I235 T256 V257 L258F165-I238 HydrophobicContact CD1-CG1 4.22Å; F165-I238 HydrophobicContact CD1-CG2 4.09Å; F165-I238 CarbonylContact O-C 3.46Å; F165-I238 VanDerWaalsContact O-CA 3.28Å; F165-I238 WeakPolarHBondContact O-CA 3.41Å; V167-I238 HydrophobicContact CG1-CG2 4.11Å; L171-I238 HydrophobicContact CD1-CD1 3.81Å; L171-I238 HydrophobicContact CD2-CD1 3.72Å; L171-I238 HydrophobicContact CG-CD1 3.86Å; V226-I238 HydrophobicContact CG1-CD1 4.05Å; V226-I238 HydrophobicContact CG2-CD1 4.39Å; F229-I238 HydrophobicContact CD1-CD1 4.29Å; I235-I238 HydrophobicContact CD1-CG1 4.24Å; I238-T256 PolarHBondContact N-O 2.83Å; I238-V257 HydrophobicContact CB-CG1 4.41Å; I238-V257 HydrophobicContact CB-CG2 4.2Å; I238-V257 HydrophobicContact CD1-CG2 4.34Å; I238-V257 CarbonylContact O-C 3.53Å; I238-V257 VanDerWaalsContact O-CA 3.31Å; I238-V257 WeakPolarHBondContact O-CA 3.24Å; I238-L258 PolarHBondContact O-N 3.2Å
239C98.9Very high98.2Very high0 Ų041.2 Ų41.20%022%0.224CC..EExtended strand (participates in β ladder)trans-111.2128.9171.1-170.80000108.7I164 F165 C166 V167 M237 L258I164-C239 HydrophobicContact CG2-CB 3.88Å; F165-C239 PolarHBondContact O-N 3.09Å; C166-C239 VanDerWaalsContact CA-O 3.22Å; C166-C239 WeakPolarHBondContact CA-O 3.35Å; V167-C239 PolarHBondContact N-O 2.95Å; M237-C239 HydrophobicContact CE-CB 4.23Å; C239-L258 CarbonylContact C-O 3.58Å; C239-L258 WeakPolarHBondContact CA-O 3.22Å
240R98.9Very high98.2Very high0 Ų045.7 Ų45.70%024%0.243CC..EExtended strand (participates in β ladder)trans-146173.6-170.370.8131.5-42179.536.5113.4M84 V167 H168 G169 S202 D203 H242 V257 L258 T259 V260M84-R240 WeakPolarHBondContact CE-O 3.21Å; V167-R240 HydrophobicContact CG1-CB 4.4Å; V167-R240 WeakPolarHBondContact O-CA 3.24Å; V167-R240 VanDerWaalsContact O-CB 3.22Å; V167-R240 WeakPolarHBondContact O-CB 3.39Å; H168-R240 PolarHBondContact O-NE 3.25Å; H168-R240 PolarHBondContact O-NH2 3.18Å; G169-R240 WeakPolarHBondContact O-CD 3.48Å; G169-R240 PolarHBondContact O-NE 3.38Å; G169-R240 PolarHBondContact O-NH2 3.12Å; S202-R240 PolarHBondContact O-NH2 3.26Å; D203-R240 IonicContact OD1-CZ 3.92Å; D203-R240 IonicContact OD1-NH1 2.81Å; D203-R240 PolarHBondContact OD1-NH1 3.17Å; D203-R240 IonicContact OD1-NH2 3.06Å; R240-H242 PolarHBondContact NH2-CD2 2.81Å; R240-V257 HydrophobicContact CG-CG1 4.05Å; R240-L258 VanDerWaalsContact CG-O 3.29Å; R240-L258 WeakPolarHBondContact CG-O 3.37Å; R240-L258 PolarHBondContact N-O 3.45Å; R240-T259 CarbonylContact O-C 3.52Å; R240-T259 WeakPolarHBondContact O-CA 3.32Å; R240-V260 PolarHBondContact O-N 3.06Å
241A98.8Very high98.2Very high0 Ų047.9 Ų47.90%025%0.25CS..  trans-128.3-131.9-175.600000113.1D58 M84 H168 Q243 V260D58-A241 WeakPolarHBondContact OD1-CB 3.3Å; M84-A241 HydrophobicContact CB-CB 3.94Å; M84-A241 HydrophobicContact CE-CB 4.1Å; H168-A241 CarbonylContact O-C 3.54Å; H168-A241 PolarHBondContact O-N 3.09Å; A241-Q243 PolarHBondContact O-N 3.01Å; A241-V260 WeakPolarHBondContact CA-O 3.19Å
242H98.6Very high98.2Very high11 Ų1144.8 Ų44.85%0.05122%0.222CC..SBendtrans65.1-30.6164.4-169.161.9000118.8D58 N118 H168 D203 R215 R240D58-H242 PolarHBondContact OD1-N 2.74Å; D58-H242 WeakPolarHBondContact OD2-CA 3.18Å; D58-H242 PolarHBondContact OD2-N 3.32Å; N118-H242 VanDerWaalsContact CG-CE1 3.48Å; N118-H242 PolarHBondContact OD1-CE1 3.23Å; N118-H242 PolarHBondContact OD1-ND1 3.3Å; H168-H242 AromaticContact CD2-ND1 3.81Å; H168-H242 WeakPolarHBondContact NE2-CB 3.25Å; H168-H242 AromaticContact NE2-CG 3.54Å; H168-H242 AromaticContact NE2-ND1 3.06Å; H168-H242 PolarHBondContact NE2-ND1 3.36Å; D203-H242 IonicContact OD1-CD2 2.85Å; D203-H242 PolarHBondContact OD1-CD2 3.44Å; R215-H242 WeakPolarHBondContact CD-NE2 3.39Å; R215-H242 VanDerWaalsContact CZ-CD2 3.46Å; R215-H242 PolarHBondContact NE-NE2 2.98Å; R215-H242 VanDerWaalsContact NE-NE2 3.17Å; R215-H242 PolarHBondContact NH1-NE2 2.99Å; R215-H242 PolarHBondContact NH2-CD2 2.79Å; R240-H242 PolarHBondContact NH2-CD2 2.81Å
243Q98Very high98.2Very high43 Ų4342.9 Ų42.920%0.20120%0.201CC..SBendtrans-101.7117.2177.5-84.3179.2-42.500109.2D203 A241 V245 T259D203-Q243 WeakPolarHBondContact OD1-CG 3.15Å; D203-Q243 PolarHBondContact OD1-NE2 2.81Å; D203-Q243 PolarHBondContact OD2-NE2 3.14Å; A241-Q243 PolarHBondContact O-N 3.01Å; Q243-V245 PolarHBondContact O-N 2.99Å; Q243-T259 HydrophobicContact CB-CG2 4.19Å; Q243-T259 WeakPolarHBondContact O-CG2 3.39Å
244L97.5Very high98Very high68 Ų6849.3 Ų49.336%0.35624%0.236SC..  trans-54.5125.1169.5175.566.6000110W261 Y266 C270 N272L244-W261 HydrophobicContact CB-CE3 4.44Å; L244-W261 HydrophobicContact CB-CH2 4.32Å; L244-W261 HydrophobicContact CB-CZ2 4.39Å; L244-W261 HydrophobicContact CB-CZ3 4.32Å; L244-W261 HydrophobicContact CD1-CD2 4.02Å; L244-W261 HydrophobicContact CD1-CG 4.31Å; L244-W261 HydrophobicContact CD1-CZ2 3.9Å; L244-Y266 HydrophobicContact CD2-CD1 4.38Å; L244-C270 HydrophobicContact CD2-CB 3.92Å; L244-N272 HydrophobicContact CD1-CB 3.94Å; L244-N272 VanDerWaalsContact CD1-CG 3.45Å
245V96.2Very high97.9Very high11 Ų1149.2 Ų49.27%0.06723%0.232CC..  trans-124.6132.6173.1-69.20000108.8Q243 E247 G248 K250 T259 W261Q243-V245 PolarHBondContact O-N 2.99Å; V245-E247 VanDerWaalsContact C-N 3.26Å; V245-E247 PolarHBondContact O-N 2.76Å; V245-G248 PolarHBondContact O-N 2.95Å; V245-K250 HydrophobicContact CB-CB 4.26Å; V245-K250 HydrophobicContact CG1-CB 3.66Å; V245-K250 HydrophobicContact CG1-CD 4.18Å; V245-T259 HydrophobicContact CG1-CG2 3.98Å; V245-T259 HydrophobicContact CG2-CG2 4.42Å; V245-W261 HydrophobicContact CG2-CB 3.65Å
246M97.8Very high97.9Very high90 Ų9050.7 Ų50.744%0.44324%0.242SC..THydrogen-bonded Turntrans-67.4-31.5-169.1-70.1-56.6-59.400112.4G248 C270 N272 V273M246-G248 VanDerWaalsContact C-N 3.33Å; M246-C270 WeakPolarHBondContact CE-O 3.12Å; M246-N272 HydrophobicContact CE-CB 4.01Å; M246-N272 WeakPolarHBondContact O-CA 3.34Å; M246-N272 HydrophobicContact SD-CB 3.91Å; M246-V273 PolarHBondContact O-N 3.04Å
247E97.9Very high98Very high123 Ų12345 Ų4558%0.57522%0.215SC*.THydrogen-bonded Turntrans-89.95.4-177.7-58.275.8-167.300113V245 Y249 V273V245-E247 VanDerWaalsContact C-N 3.26Å; V245-E247 PolarHBondContact O-N 2.76Å; E247-Y249 PolarHBondContact O-N 3.07Å; E247-V273 WeakPolarHBondContact O-CG2 3.46Å
248G98.1Very high98Very high0 Ų044.5 Ų44.50%021%0.213CC..SBendtrans80.4-22.6-17900000114.6V245 M246 W261 V273V245-G248 PolarHBondContact O-N 2.95Å; M246-G248 VanDerWaalsContact C-N 3.33Å; G248-W261 PolarHBondContact O-N 3.25Å; G248-V273 WeakPolarHBondContact CA-O 3.26Å
249Y98.6Very high98Very high71 Ų7144.5 Ų44.528%0.27821%0.213SC..EExtended strand (participates in β ladder)trans-148.3160.3168.872.8-83.6000111.8E247 W251 L258 T259 A275 F287 I289E247-Y249 PolarHBondContact O-N 3.07Å; Y249-W251 AromaticContact CE2-NE1 3.96Å; Y249-L258 HydrophobicContact CD2-CD1 3.9Å; Y249-L258 HydrophobicContact CG-CD1 4.49Å; Y249-T259 CarbonylContact C-O 3.59Å; Y249-T259 WeakPolarHBondContact CA-O 3.45Å; Y249-T259 WeakPolarHBondContact CB-O 3.14Å; Y249-A275 HydrophobicContact CD1-CB 4.07Å; Y249-F287 HydrophobicContact CD1-CB 4.37Å; Y249-F287 AromaticContact CD1-CD1 3.73Å; Y249-F287 HydrophobicContact CD1-CD1 3.73Å; Y249-F287 HydrophobicContact CD1-CE1 4.14Å; Y249-F287 HydrophobicContact CD1-CG 4.04Å; Y249-F287 HydrophobicContact CD2-CD1 4.1Å; Y249-F287 AromaticContact CD2-CE1 3.69Å; Y249-F287 HydrophobicContact CD2-CE1 3.69Å; Y249-F287 HydrophobicContact CD2-CE2 4.18Å; Y249-F287 HydrophobicContact CD2-CG 4.49Å; Y249-F287 AromaticContact CD2-CZ 3.74Å; Y249-F287 HydrophobicContact CD2-CZ 3.74Å; Y249-F287 HydrophobicContact CE1-CB 4.06Å; Y249-F287 HydrophobicContact CE1-CD1 4.09Å; Y249-F287 HydrophobicContact CE1-CD2 4.33Å; Y249-F287 AromaticContact CE1-CG 3.91Å; Y249-F287 HydrophobicContact CE1-CG 3.91Å; Y249-F287 HydrophobicContact CE2-CD1 4.44Å; Y249-F287 HydrophobicContact CE2-CD2 4.14Å; Y249-F287 HydrophobicContact CE2-CE1 4.24Å; Y249-F287 AromaticContact CE2-CE2 3.95Å; Y249-F287 HydrophobicContact CE2-CE2 3.95Å; Y249-F287 HydrophobicContact CE2-CG 4.38Å; Y249-F287 AromaticContact CE2-CZ 3.99Å; Y249-F287 HydrophobicContact CE2-CZ 3.99Å; Y249-F287 AromaticContact CG-CD1 3.73Å; Y249-F287 HydrophobicContact CG-CD1 3.73Å; Y249-F287 AromaticContact CG-CE1 3.63Å; Y249-F287 HydrophobicContact CG-CE1 3.63Å; Y249-F287 HydrophobicContact CG-CG 4.32Å; Y249-F287 HydrophobicContact CG-CZ 4.17Å; Y249-I289 HydrophobicContact CE1-CD1 4.24Å
250K98.5Very high98Very high103 Ų10344.5 Ų44.545%0.44821%0.213SC..EExtended strand (participates in β ladder)trans-148131.1176.9-177.8177.6174.5-177.10111.7V245 H252 T259V245-K250 HydrophobicContact CB-CB 4.26Å; V245-K250 HydrophobicContact CG1-CB 3.66Å; V245-K250 HydrophobicContact CG1-CD 4.18Å; K250-H252 PolarHBondContact O-CD2 2.91Å; K250-T259 PolarHBondContact N-O 3.03Å; K250-T259 PolarHBondContact O-N 2.72Å
251W98.4Very high98Very high60 Ų6044.7 Ų44.723%0.22721%0.213CC..EExtended strand (participates in β ladder)trans-85.3140.9168.1-70.4107000111.1M237 Y249 E255 L258 F287M237-W251 HydrophobicContact CE-CH2 3.5Å; M237-W251 HydrophobicContact CE-CZ3 3.48Å; M237-W251 VanDerWaalsContact CE-CZ3 3.48Å; M237-W251 HydrophobicContact SD-CH2 3.7Å; M237-W251 HydrophobicContact SD-CZ3 3.93Å; Y249-W251 AromaticContact CE2-NE1 3.96Å; W251-E255 HydrophobicContact CB-CG 4.28Å; W251-E255 HydrophobicContact CD2-CB 4.03Å; W251-E255 HydrophobicContact CD2-CG 3.99Å; W251-E255 VanDerWaalsContact CE3-CA 3.45Å; W251-E255 HydrophobicContact CE3-CB 3.72Å; W251-E255 HydrophobicContact CE3-CG 4.2Å; W251-E255 HydrophobicContact CG-CG 4.04Å; W251-E255 HydrophobicContact CZ3-CB 4.06Å; W251-E255 VanDerWaalsContact CZ3-O 3.24Å; W251-E255 WeakPolarHBondContact CZ3-O 3.43Å; W251-L258 HydrophobicContact CD2-CB 4.42Å; W251-L258 HydrophobicContact CD2-CD1 3.85Å; W251-L258 HydrophobicContact CE3-CB 3.8Å; W251-L258 HydrophobicContact CE3-CD1 4.11Å; W251-L258 HydrophobicContact CE3-CG 4.5Å; W251-L258 HydrophobicContact CG-CD1 4.33Å; W251-L258 HydrophobicContact CH2-CB 3.97Å; W251-L258 HydrophobicContact CH2-CD1 4.32Å; W251-L258 HydrophobicContact CH2-CD2 4.04Å; W251-L258 HydrophobicContact CH2-CG 4.34Å; W251-L258 HydrophobicContact CZ2-CD1 4.03Å; W251-L258 HydrophobicContact CZ2-CD2 4.18Å; W251-L258 HydrophobicContact CZ2-CG 4.48Å; W251-L258 HydrophobicContact CZ3-CB 3.6Å; W251-L258 HydrophobicContact CZ3-CD1 4.38Å; W251-L258 HydrophobicContact CZ3-CG 4.38Å; W251-F287 HydrophobicContact CZ2-CE2 4.18Å; W251-F287 AromaticContact CZ2-CZ 3.94Å; W251-F287 HydrophobicContact CZ2-CZ 3.94Å
252H98.4Very high98Very high18 Ų1844.8 Ų44.88%0.08321%0.214CC..EExtended strand (participates in β ladder)trans-123.5158172.2-50.4-112.3000109.5P204 K250 N254 E255 T256 V257 T259P204-H252 HydrophobicContact CB-CB 4.43Å; K250-H252 PolarHBondContact O-CD2 2.91Å; H252-N254 PolarHBondContact O-N 3.48Å; H252-E255 PolarHBondContact O-N 3.44Å; H252-E255 VanDerWaalsContact O-N 3.14Å; H252-T256 PolarHBondContact O-N 3.23Å; H252-V257 HydrophobicContact CB-CB 4.17Å; H252-V257 PolarHBondContact N-O 3.23Å; H252-V257 PolarHBondContact O-N 3.25Å; H252-T259 PolarHBondContact NE2-OG1 3.43Å
253F97.8Very high98Very high22 Ų2244.2 Ų44.210%0.09621%0.212CC..THydrogen-bonded Turntrans50.956.1166.7-47.2-37.6000114.3P204 E205 F221 V226 E255 T256 V257P204-F253 HydrophobicContact CB-CE2 3.55Å; P204-F253 HydrophobicContact CB-CZ 3.73Å; E205-F253 VanDerWaalsContact O-CE1 3.25Å; E205-F253 WeakPolarHBondContact O-CE1 2.98Å; E205-F253 WeakPolarHBondContact O-CZ 3.15Å; F221-F253 HydrophobicContact CD2-CE2 4.25Å; F221-F253 HydrophobicContact CE2-CE2 4.21Å; F221-F253 VanDerWaalsContact O-CZ 3.3Å; F221-F253 WeakPolarHBondContact O-CZ 3.16Å; V226-F253 HydrophobicContact CB-CD2 4.48Å; V226-F253 HydrophobicContact CG2-CD2 3.84Å; V226-F253 HydrophobicContact CG2-CE2 4.01Å; F253-E255 VanDerWaalsContact C-N 3.35Å; F253-E255 PolarHBondContact O-N 3.25Å; F253-T256 WeakPolarHBondContact CB-OG1 3.24Å; F253-T256 WeakPolarHBondContact O-CG2 3.42Å; F253-T256 PolarHBondContact O-N 3.3Å; F253-T256 PolarHBondContact O-OG1 2.54Å; F253-V257 HydrophobicContact CD2-CB 4.36Å; F253-V257 HydrophobicContact CD2-CG2 3.81Å; F253-V257 HydrophobicContact CE2-CG2 4.34Å
254N95.1Very high98Very high164 Ų16442.2 Ų42.288%0.87720%0.202SC*.THydrogen-bonded Turntrans53.148.5-178.1-59.9-24.5000113.1H252 T256H252-N254 PolarHBondContact O-N 3.48Å; N254-T256 VanDerWaalsContact C-N 3.28Å; N254-T256 PolarHBondContact O-N 2.84Å
255E96.8Very high97.9Very high110 Ų11041.1 Ų41.151%0.51420%0.197SC..THydrogen-bonded Turntrans64.822.2177.4-54.2-176.9-173.300115.5W251 H252 F253 R285W251-E255 HydrophobicContact CB-CG 4.28Å; W251-E255 HydrophobicContact CD2-CB 4.03Å; W251-E255 HydrophobicContact CD2-CG 3.99Å; W251-E255 VanDerWaalsContact CE3-CA 3.45Å; W251-E255 HydrophobicContact CE3-CB 3.72Å; W251-E255 HydrophobicContact CE3-CG 4.2Å; W251-E255 HydrophobicContact CG-CG 4.04Å; W251-E255 HydrophobicContact CZ3-CB 4.06Å; W251-E255 VanDerWaalsContact CZ3-O 3.24Å; W251-E255 WeakPolarHBondContact CZ3-O 3.43Å; H252-E255 PolarHBondContact O-N 3.44Å; H252-E255 VanDerWaalsContact O-N 3.14Å; F253-E255 VanDerWaalsContact C-N 3.35Å; F253-E255 PolarHBondContact O-N 3.25Å; E255-R285 IonicContact OE2-NH1 3.57Å
256T98Very high97.9Very high41 Ų4141.7 Ų41.725%0.25220%0.198SC..THydrogen-bonded Turntrans-90.6-15.7176.158.60000113.4M237 I238 H252 F253 N254M237-T256 CarbonylContact C-O 3.18Å; M237-T256 VanDerWaalsContact CA-O 3.28Å; M237-T256 WeakPolarHBondContact CA-O 3.32Å; M237-T256 WeakPolarHBondContact CB-O 3.4Å; I238-T256 PolarHBondContact N-O 2.83Å; H252-T256 PolarHBondContact O-N 3.23Å; F253-T256 WeakPolarHBondContact CB-OG1 3.24Å; F253-T256 WeakPolarHBondContact O-CG2 3.42Å; F253-T256 PolarHBondContact O-N 3.3Å; F253-T256 PolarHBondContact O-OG1 2.54Å; N254-T256 VanDerWaalsContact C-N 3.28Å; N254-T256 PolarHBondContact O-N 2.84Å
257V98.8Very high97.5Very high0 Ų037.9 Ų37.90%018%0.18CC..EExtended strand (participates in β ladder)trans-131.9132.6171.6-177.20000109.7P204 F221 V226 I238 R240 H252 F253P204-V257 HydrophobicContact CG-CG1 4.5Å; F221-V257 HydrophobicContact CE2-CG2 4.41Å; V226-V257 HydrophobicContact CB-CG2 4.31Å; V226-V257 HydrophobicContact CG1-CG2 3.73Å; V226-V257 HydrophobicContact CG2-CG2 3.66Å; I238-V257 HydrophobicContact CB-CG1 4.41Å; I238-V257 HydrophobicContact CB-CG2 4.2Å; I238-V257 HydrophobicContact CD1-CG2 4.34Å; I238-V257 CarbonylContact O-C 3.53Å; I238-V257 VanDerWaalsContact O-CA 3.31Å; I238-V257 WeakPolarHBondContact O-CA 3.24Å; R240-V257 HydrophobicContact CG-CG1 4.05Å; H252-V257 HydrophobicContact CB-CB 4.17Å; H252-V257 PolarHBondContact N-O 3.23Å; H252-V257 PolarHBondContact O-N 3.25Å; F253-V257 HydrophobicContact CD2-CB 4.36Å; F253-V257 HydrophobicContact CD2-CG2 3.81Å; F253-V257 HydrophobicContact CE2-CG2 4.34Å
258L98.8Very high97.1Very high0 Ų035 Ų350%016%0.164CC..EExtended strand (participates in β ladder)trans-116.6126.9175.1176.964.1000109.8M237 I238 C239 R240 Y249 W251 V260 L277 F287M237-L258 HydrophobicContact CE-CB 3.48Å; M237-L258 VanDerWaalsContact CE-CB 3.48Å; M237-L258 HydrophobicContact CE-CD2 3.96Å; M237-L258 HydrophobicContact CE-CG 4.4Å; I238-L258 PolarHBondContact O-N 3.2Å; C239-L258 CarbonylContact C-O 3.58Å; C239-L258 WeakPolarHBondContact CA-O 3.22Å; R240-L258 VanDerWaalsContact CG-O 3.29Å; R240-L258 WeakPolarHBondContact CG-O 3.37Å; R240-L258 PolarHBondContact N-O 3.45Å; Y249-L258 HydrophobicContact CD2-CD1 3.9Å; Y249-L258 HydrophobicContact CG-CD1 4.49Å; W251-L258 HydrophobicContact CD2-CB 4.42Å; W251-L258 HydrophobicContact CD2-CD1 3.85Å; W251-L258 HydrophobicContact CE3-CB 3.8Å; W251-L258 HydrophobicContact CE3-CD1 4.11Å; W251-L258 HydrophobicContact CE3-CG 4.5Å; W251-L258 HydrophobicContact CG-CD1 4.33Å; W251-L258 HydrophobicContact CH2-CB 3.97Å; W251-L258 HydrophobicContact CH2-CD1 4.32Å; W251-L258 HydrophobicContact CH2-CD2 4.04Å; W251-L258 HydrophobicContact CH2-CG 4.34Å; W251-L258 HydrophobicContact CZ2-CD1 4.03Å; W251-L258 HydrophobicContact CZ2-CD2 4.18Å; W251-L258 HydrophobicContact CZ2-CG 4.48Å; W251-L258 HydrophobicContact CZ3-CB 3.6Å; W251-L258 HydrophobicContact CZ3-CD1 4.38Å; W251-L258 HydrophobicContact CZ3-CG 4.38Å; L258-V260 HydrophobicContact CD2-CG2 3.78Å; L258-V260 HydrophobicContact CG-CG2 3.81Å; L258-L277 HydrophobicContact CD2-CD2 3.72Å; L258-F287 HydrophobicContact CD1-CE1 3.96Å; L258-F287 HydrophobicContact CD1-CZ 3.73Å; L258-F287 HydrophobicContact CD2-CE1 3.8Å; L258-F287 HydrophobicContact CD2-CZ 3.66Å; L258-F287 HydrophobicContact CG-CE1 4.45Å; L258-F287 HydrophobicContact CG-CZ 4.35Å
259T98.9Very high96.7Very high0 Ų042.3 Ų42.30%019%0.192CC..EExtended strand (participates in β ladder)trans-96.5127165.7-59.20000108.8R240 Q243 V245 Y249 K250 H252R240-T259 CarbonylContact O-C 3.52Å; R240-T259 WeakPolarHBondContact O-CA 3.32Å; Q243-T259 HydrophobicContact CB-CG2 4.19Å; Q243-T259 WeakPolarHBondContact O-CG2 3.39Å; V245-T259 HydrophobicContact CG1-CG2 3.98Å; V245-T259 HydrophobicContact CG2-CG2 4.42Å; Y249-T259 CarbonylContact C-O 3.59Å; Y249-T259 WeakPolarHBondContact CA-O 3.45Å; Y249-T259 WeakPolarHBondContact CB-O 3.14Å; K250-T259 PolarHBondContact N-O 3.03Å; K250-T259 PolarHBondContact O-N 2.72Å; H252-T259 PolarHBondContact NE2-OG1 3.43Å
260V98.8Very high96.3Very high0 Ų041.1 Ų41.10%019%0.194CC..EExtended strand (participates in β ladder)trans-116.9134.5175.4-176.30000108.9G57 M84 R240 A241 L258 L277G57-V260 WeakPolarHBondContact CA-O 3.23Å; M84-V260 HydrophobicContact CE-CB 3.91Å; M84-V260 HydrophobicContact CE-CG2 4.26Å; R240-V260 PolarHBondContact O-N 3.06Å; A241-V260 WeakPolarHBondContact CA-O 3.19Å; L258-V260 HydrophobicContact CD2-CG2 3.78Å; L258-V260 HydrophobicContact CG-CG2 3.81Å; V260-L277 HydrophobicContact CG2-CB 4.44Å
261W98.8Very high96.2Very high3 Ų338.8 Ų38.81%0.01120%0.198CC..  trans-129.7123.1-179-175.8-88.7000110.6D58 H60 L244 V245 G248 A263 Y266 N272 A274 A275D58-W261 HydrophobicContact CB-CD2 4.43Å; D58-W261 HydrophobicContact CB-CE3 4.02Å; D58-W261 HydrophobicContact CB-CH2 3.92Å; D58-W261 HydrophobicContact CB-CZ2 4.32Å; D58-W261 HydrophobicContact CB-CZ3 3.77Å; D58-W261 VanDerWaalsContact CG-CZ3 3.42Å; D58-W261 WeakPolarHBondContact OD2-CH2 3.28Å; D58-W261 WeakPolarHBondContact OD2-CZ3 3.28Å; H60-W261 AromaticContact CD2-CH2 3.89Å; H60-W261 AromaticContact NE2-CH2 3.93Å; L244-W261 HydrophobicContact CB-CE3 4.44Å; L244-W261 HydrophobicContact CB-CH2 4.32Å; L244-W261 HydrophobicContact CB-CZ2 4.39Å; L244-W261 HydrophobicContact CB-CZ3 4.32Å; L244-W261 HydrophobicContact CD1-CD2 4.02Å; L244-W261 HydrophobicContact CD1-CG 4.31Å; L244-W261 HydrophobicContact CD1-CZ2 3.9Å; V245-W261 HydrophobicContact CG2-CB 3.65Å; G248-W261 PolarHBondContact O-N 3.25Å; W261-A263 HydrophobicContact CZ2-CB 4.16Å; W261-A263 PolarHBondContact NE1-O 3.4Å; W261-Y266 HydrophobicContact CH2-CD1 4.35Å; W261-Y266 HydrophobicContact CH2-CD2 4.45Å; W261-Y266 HydrophobicContact CH2-CE1 4.19Å; W261-Y266 HydrophobicContact CH2-CE2 4.3Å; W261-Y266 HydrophobicContact CH2-CG 4.44Å; W261-Y266 AromaticContact CZ2-CD1 3.86Å; W261-Y266 HydrophobicContact CZ2-CD1 3.86Å; W261-Y266 AromaticContact CZ2-CD2 3.68Å; W261-Y266 HydrophobicContact CZ2-CD2 3.68Å; W261-Y266 HydrophobicContact CZ2-CE1 4.13Å; W261-Y266 AromaticContact CZ2-CE2 3.97Å; W261-Y266 HydrophobicContact CZ2-CE2 3.97Å; W261-Y266 AromaticContact CZ2-CG 3.59Å; W261-Y266 HydrophobicContact CZ2-CG 3.59Å; W261-N272 VanDerWaalsContact CD1-ND2 3.3Å; W261-N272 PolarHBondContact NE1-ND2 2.77Å; W261-A274 CarbonylContact O-C 3.51Å; W261-A274 WeakPolarHBondContact O-CA 2.98Å; W261-A275 PolarHBondContact O-N 2.92Å
262S98.8Very high96.1Very high2 Ų236.2 Ų36.21%0.01419%0.189CC..  trans-114.311.2-169.9-59.50000114.5G57 D58 P264 A275G57-S262 PolarHBondContact N-OG 3.35Å; D58-S262 CarbonylContact O-C 3.43Å; D58-S262 WeakPolarHBondContact O-CA 3.32Å; D58-S262 WeakPolarHBondContact O-CB 3.15Å; D58-S262 PolarHBondContact O-N 2.92Å; S262-P264 WeakPolarHBondContact O-CD 3.48Å; S262-A275 PolarHBondContact OG-O 2.8Å
263A98.3Very high96.1Very high0 Ų037.1 Ų37.10%020%0.196CC..  trans-110.693.7177.700000111.7D58 W261 Y266 N272D58-A263 PolarHBondContact O-N 2.87Å; D58-A263 VanDerWaalsContact O-N 3.08Å; W261-A263 HydrophobicContact CZ2-CB 4.16Å; W261-A263 PolarHBondContact NE1-O 3.4Å; A263-Y266 HydrophobicContact CB-CD2 4.26Å; A263-N272 PolarHBondContact O-ND2 3.37Å
264P97.8Very high96.2Very high0 Ų036 Ų360%019%0.191CC..THydrogen-bonded Turntrans-72.8148.8-176.230.8-35.2000111.4Q62 D65 S262 Y266 A274 F290 A292Q62-P264 PolarHBondContact NE2-O 3.28Å; D65-P264 HydrophobicContact CB-CG 3.74Å; S262-P264 WeakPolarHBondContact O-CD 3.48Å; P264-Y266 PolarHBondContact O-N 3.16Å; P264-A274 HydrophobicContact CB-CB 3.72Å; P264-A274 VanDerWaalsContact CD-CB 3.5Å; P264-A274 HydrophobicContact CG-CB 3.99Å; P264-F290 HydrophobicContact CG-CD2 4.3Å; P264-F290 HydrophobicContact CG-CE2 3.99Å; P264-A292 HydrophobicContact CB-CB 4.03Å; P264-A292 HydrophobicContact CG-CB 4.05Å
265N95.8Very high96.3Very high46 Ų4628.2 Ų28.225%0.24615%0.149CC..THydrogen-bonded Turntrans42.555.2-172.8-175.128.3000111.5Y268 R269 C270 G271 N272 A292N265-Y268 WeakPolarHBondContact O-CA 3.21Å; N265-Y268 PolarHBondContact O-N 3.17Å; N265-R269 PolarHBondContact OD1-N 2.85Å; N265-R269 VanDerWaalsContact OD1-N 3.17Å; N265-C270 PolarHBondContact OD1-N 3.01Å; N265-G271 PolarHBondContact OD1-N 2.78Å; N265-N272 PolarHBondContact N-O 3.24Å; N265-N272 PolarHBondContact N-OD1 3.45Å; N265-A292 HydrophobicContact CB-CB 3.88Å
266Y95.6Very high96.4Very high22 Ų2223 Ų239%0.08613%0.125CC..G310 helixtrans-51.2141.7-171.3176.7-126.6000112.2H60 R90 L244 W261 A263 P264 Y268 R269 C270 N272H60-Y266 HydrophobicContact CB-CD2 4.44Å; H60-Y266 HydrophobicContact CB-CE2 3.73Å; H60-Y266 AromaticContact CD2-CE2 3.15Å; H60-Y266 WeakPolarHBondContact CD2-CE2 3.29Å; H60-Y266 AromaticContact CD2-CZ 3.56Å; H60-Y266 PolarHBondContact CD2-OH 3.35Å; H60-Y266 AromaticContact CG-CE2 3.6Å; H60-Y266 AromaticContact NE2-CE2 3.82Å; H60-Y266 AromaticContact NE2-CZ 3.71Å; H60-Y266 PolarHBondContact NE2-OH 2.87Å; R90-Y266 HydrophobicContact CB-CE2 4.26Å; R90-Y266 HydrophobicContact CG-CE2 4.27Å; R90-Y266 WeakPolarHBondContact CG-OH 3.46Å; L244-Y266 HydrophobicContact CD2-CD1 4.38Å; W261-Y266 HydrophobicContact CH2-CD1 4.35Å; W261-Y266 HydrophobicContact CH2-CD2 4.45Å; W261-Y266 HydrophobicContact CH2-CE1 4.19Å; W261-Y266 HydrophobicContact CH2-CE2 4.3Å; W261-Y266 HydrophobicContact CH2-CG 4.44Å; W261-Y266 AromaticContact CZ2-CD1 3.86Å; W261-Y266 HydrophobicContact CZ2-CD1 3.86Å; W261-Y266 AromaticContact CZ2-CD2 3.68Å; W261-Y266 HydrophobicContact CZ2-CD2 3.68Å; W261-Y266 HydrophobicContact CZ2-CE1 4.13Å; W261-Y266 AromaticContact CZ2-CE2 3.97Å; W261-Y266 HydrophobicContact CZ2-CE2 3.97Å; W261-Y266 AromaticContact CZ2-CG 3.59Å; W261-Y266 HydrophobicContact CZ2-CG 3.59Å; A263-Y266 HydrophobicContact CB-CD2 4.26Å; P264-Y266 PolarHBondContact O-N 3.16Å; Y266-Y268 PolarHBondContact O-N 2.91Å; Y266-R269 PolarHBondContact O-N 2.96Å; Y266-C270 WeakPolarHBondContact O-CB 3.31Å; Y266-C270 PolarHBondContact O-N 2.93Å; Y266-C270 PolarHBondContact O-SG 3.4Å; Y266-C270 VanDerWaalsContact O-SG 3.33Å; Y266-N272 WeakPolarHBondContact CB-OD1 3.38Å; Y266-N272 PolarHBondContact N-OD1 3.41Å
267C89.8Confident96.5Very high10 Ų1021 Ų217%0.06811%0.113CC..G310 helixtrans53.223.1-174.2-73.10000113.3R269 F310C267-R269 HydrophobicContact CB-CG 4.01Å; C267-R269 PolarHBondContact O-N 3.49Å; C267-F310 HydrophobicContact CB-CD1 3.94Å
268Y88.4Confident96.5Very high64 Ų6423.5 Ų23.525%0.25112%0.124SC..G310 helixtrans6120.3-177.4-41.8-63.2000114.4Q62 F92 N265 Y266 F310Q62-Y268 HydrophobicContact CG-CE1 4.43Å; F92-Y268 HydrophobicContact CD2-CD2 4.49Å; F92-Y268 AromaticContact CD2-CE2 3.5Å; F92-Y268 HydrophobicContact CD2-CE2 3.5Å; F92-Y268 AromaticContact CD2-CZ 3.76Å; F92-Y268 WeakPolarHBondContact CD2-OH 3.38Å; F92-Y268 AromaticContact CE2-CD2 3.93Å; F92-Y268 HydrophobicContact CE2-CD2 3.93Å; F92-Y268 AromaticContact CE2-CE2 3.33Å; F92-Y268 HydrophobicContact CE2-CE2 3.33Å; F92-Y268 HydrophobicContact CZ-CE2 4.24Å; F92-Y268 PolarHBondContact N-OH 3.22Å; N265-Y268 WeakPolarHBondContact O-CA 3.21Å; N265-Y268 PolarHBondContact O-N 3.17Å; Y266-Y268 PolarHBondContact O-N 2.91Å; Y268-F310 HydrophobicContact CD2-CD1 4.41Å; Y268-F310 AromaticContact CD2-CE1 3.72Å; Y268-F310 HydrophobicContact CD2-CE1 3.72Å; Y268-F310 HydrophobicContact CD2-CZ 4.17Å; Y268-F310 AromaticContact CE2-CE1 3.57Å; Y268-F310 HydrophobicContact CE2-CE1 3.57Å; Y268-F310 AromaticContact CE2-CZ 3.83Å; Y268-F310 HydrophobicContact CE2-CZ 3.83Å
269R90.1Very high96.5Very high152 Ų15223.7 Ų23.757%0.57413%0.125SC*.THydrogen-bonded Turntrans-146.8-22.8-171.367.8-175.6-65.1-169.7-0.7116N265 Y266 C267 G271 F310N265-R269 PolarHBondContact OD1-N 2.85Å; N265-R269 VanDerWaalsContact OD1-N 3.17Å; Y266-R269 PolarHBondContact O-N 2.96Å; C267-R269 HydrophobicContact CB-CG 4.01Å; C267-R269 PolarHBondContact O-N 3.49Å; R269-G271 VanDerWaalsContact C-N 3.32Å; R269-G271 PolarHBondContact O-N 2.85Å; R269-F310 PolarHBondContact NH1-O 3.31Å
270C91.6Very high96.4Very high47 Ų4726.8 Ų26.832%0.31814%0.142SC..SBendtrans-72.8-24.9-172.1-70.10000113L244 M246 N265 Y266 N272L244-C270 HydrophobicContact CD2-CB 3.92Å; M246-C270 WeakPolarHBondContact CE-O 3.12Å; N265-C270 PolarHBondContact OD1-N 3.01Å; Y266-C270 WeakPolarHBondContact O-CB 3.31Å; Y266-C270 PolarHBondContact O-N 2.93Å; Y266-C270 PolarHBondContact O-SG 3.4Å; Y266-C270 VanDerWaalsContact O-SG 3.33Å; C270-N272 WeakPolarHBondContact CB-OD1 3.45Å; C270-N272 PolarHBondContact O-N 3.3Å
271G94.6Very high96.3Very high53 Ų5333.5 Ų33.555%0.54617%0.173SC..  trans70.510.6177.300000115.6N265 R269N265-G271 PolarHBondContact OD1-N 2.78Å; R269-G271 VanDerWaalsContact C-N 3.32Å; R269-G271 PolarHBondContact O-N 2.85Å
272N97.9Very high96.2Very high6 Ų640 Ų403%0.03220%0.204CC..  trans-71.4157.5173.365.2-72.8000111.9L244 M246 W261 A263 N265 Y266 C270L244-N272 HydrophobicContact CD1-CB 3.94Å; L244-N272 VanDerWaalsContact CD1-CG 3.45Å; M246-N272 HydrophobicContact CE-CB 4.01Å; M246-N272 WeakPolarHBondContact O-CA 3.34Å; M246-N272 HydrophobicContact SD-CB 3.91Å; W261-N272 VanDerWaalsContact CD1-ND2 3.3Å; W261-N272 PolarHBondContact NE1-ND2 2.77Å; A263-N272 PolarHBondContact O-ND2 3.37Å; N265-N272 PolarHBondContact N-O 3.24Å; N265-N272 PolarHBondContact N-OD1 3.45Å; Y266-N272 WeakPolarHBondContact CB-OD1 3.38Å; Y266-N272 PolarHBondContact N-OD1 3.41Å; C270-N272 WeakPolarHBondContact CB-OD1 3.45Å; C270-N272 PolarHBondContact O-N 3.3Å
273V98Very high96.1Very high37 Ų3741.8 Ų41.822%0.22421%0.212CC..  trans-86.9170.7161.6-58.90000110.1M246 E247 G248 I289 E291M246-V273 PolarHBondContact O-N 3.04Å; E247-V273 WeakPolarHBondContact O-CG2 3.46Å; G248-V273 WeakPolarHBondContact CA-O 3.26Å; V273-I289 HydrophobicContact CB-CG2 3.91Å; V273-I289 HydrophobicContact CG2-CG2 3.64Å; V273-E291 HydrophobicContact CG1-CG 4.31Å
274A98.6Very high96Very high0 Ų047.7 Ų47.70%024%0.24CC..EExtended strand (participates in β ladder)trans-115.5158.3172.400000110.9W261 P264 I289 F290W261-A274 CarbonylContact O-C 3.51Å; W261-A274 WeakPolarHBondContact O-CA 2.98Å; P264-A274 HydrophobicContact CB-CB 3.72Å; P264-A274 VanDerWaalsContact CD-CB 3.5Å; P264-A274 HydrophobicContact CG-CB 3.99Å; A274-I289 CarbonylContact O-C 3.55Å; A274-I289 WeakPolarHBondContact O-CA 3.34Å; A274-F290 HydrophobicContact CB-CD1 4.09Å; A274-F290 HydrophobicContact CB-CD2 4.17Å; A274-F290 HydrophobicContact CB-CE1 3.6Å; A274-F290 HydrophobicContact CB-CE2 3.7Å; A274-F290 HydrophobicContact CB-CG 4.36Å; A274-F290 HydrophobicContact CB-CZ 3.39Å; A274-F290 PolarHBondContact N-O 3.49Å; A274-F290 PolarHBondContact O-N 3.39Å
275A98.7Very high96Very high0 Ų053.3 Ų53.30%026%0.262CS..EExtended strand (participates in β ladder)trans-136.5158.4172.800000111.8Y249 W261 S262 I288 I289Y249-A275 HydrophobicContact CD1-CB 4.07Å; W261-A275 PolarHBondContact O-N 2.92Å; S262-A275 PolarHBondContact OG-O 2.8Å; A275-I288 VanDerWaalsContact CA-O 3.26Å; A275-I288 WeakPolarHBondContact CA-O 3.45Å; A275-I289 HydrophobicContact CB-CG1 4.47Å
276I98.8Very high96.1Very high0 Ų057.1 Ų57.10%028%0.278CS..EExtended strand (participates in β ladder)trans-125150160.955.3-176.3000108.4T54 C56 L69 V72 F287 I288 F290T54-I276 HydrophobicContact CG2-CB 3.95Å; T54-I276 HydrophobicContact CG2-CD1 3.82Å; T54-I276 HydrophobicContact CG2-CG1 4.18Å; C56-I276 HydrophobicContact CB-CG2 4.35Å; L69-I276 HydrophobicContact CD1-CG2 3.71Å; L69-I276 HydrophobicContact CD2-CG2 4.4Å; L69-I276 HydrophobicContact CG-CG2 3.73Å; V72-I276 HydrophobicContact CG2-CD1 4.06Å; I276-F287 WeakPolarHBondContact O-CA 3.16Å; I276-I288 HydrophobicContact CD1-CB 4.14Å; I276-I288 HydrophobicContact CD1-CD1 4.37Å; I276-I288 HydrophobicContact CG1-CB 3.75Å; I276-I288 HydrophobicContact CG1-CG2 4.46Å; I276-I288 PolarHBondContact N-O 3.23Å; I276-I288 PolarHBondContact O-N 3.5Å; I276-F290 HydrophobicContact CG2-CE1 4.21Å
277L98.8Very high96.2Very high0 Ų058.3 Ų58.30%028%0.283CS..EExtended strand (participates in β ladder)trans-103.8117.5175.3167.369.2000109T54 V55 L258 V260 L279 R285 F287T54-L277 CarbonylContact C-O 3.56Å; T54-L277 WeakPolarHBondContact CA-O 2.8Å; V55-L277 HydrophobicContact CB-CB 4.25Å; V55-L277 HydrophobicContact CB-CD2 4.49Å; V55-L277 PolarHBondContact N-O 3.42Å; V55-L277 PolarHBondContact O-N 3.46Å; L258-L277 HydrophobicContact CD2-CD2 3.72Å; V260-L277 HydrophobicContact CG2-CB 4.44Å; L277-L279 HydrophobicContact CD1-CD2 4.37Å; L277-L279 HydrophobicContact CD2-CD1 4.39Å; L277-L279 HydrophobicContact CD2-CD2 4.24Å; L277-L279 HydrophobicContact CD2-CG 4.23Å; L277-L279 HydrophobicContact CG-CD2 4.34Å; L277-L279 HydrophobicContact CG-CG 4.21Å; L277-R285 HydrophobicContact CD1-CB 3.83Å; L277-R285 HydrophobicContact CD1-CG 4.08Å; L277-F287 HydrophobicContact CB-CD1 4.36Å; L277-F287 HydrophobicContact CB-CE1 4.13Å; L277-F287 HydrophobicContact CD1-CD1 4.3Å; L277-F287 HydrophobicContact CD1-CE1 3.93Å; L277-F287 HydrophobicContact CD1-CE2 4.32Å; L277-F287 HydrophobicContact CD1-CZ 3.94Å
278E98.8Very high96.6Very high51 Ų5159.5 Ų59.524%0.23829%0.289CS..EExtended strand (participates in β ladder)trans-91.7131.4169.1-59.8-165.7151.600110T54 R285 E286 I288T54-E278 HydrophobicContact CG2-CG 4.18Å; E278-R285 WeakPolarHBondContact O-CA 3.41Å; E278-E286 HydrophobicContact CB-CB 4.43Å; E278-E286 PolarHBondContact N-O 2.83Å; E278-E286 PolarHBondContact O-N 2.84Å; E278-I288 HydrophobicContact CG-CD1 4.08Å; E278-I288 HydrophobicContact CG-CG1 4.45Å; E278-I288 VanDerWaalsContact OE1-CD1 3.23Å; E278-I288 WeakPolarHBondContact OE1-CD1 3.21Å
279L98.7Very high97.1Very high4 Ų460.9 Ų60.92%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-115.4119.2171.5-65.1169.7000108P52 V53 V55 I160 I164 L277 L283 Q284 R285P52-L279 CarbonylContact C-O 3.59Å; P52-L279 WeakPolarHBondContact CA-O 3.4Å; P52-L279 WeakPolarHBondContact CB-O 3.45Å; V53-L279 HydrophobicContact CG1-CB 4.23Å; V53-L279 HydrophobicContact CG1-CD1 4.12Å; V53-L279 PolarHBondContact N-O 3.33Å; V53-L279 PolarHBondContact O-N 2.95Å; V55-L279 HydrophobicContact CG2-CD1 4.18Å; I160-L279 HydrophobicContact CD1-CD1 3.65Å; I160-L279 HydrophobicContact CG2-CD1 4.19Å; I164-L279 HydrophobicContact CD1-CD1 3.71Å; I164-L279 HydrophobicContact CD1-CD2 3.98Å; L277-L279 HydrophobicContact CD1-CD2 4.37Å; L277-L279 HydrophobicContact CD2-CD1 4.39Å; L277-L279 HydrophobicContact CD2-CD2 4.24Å; L277-L279 HydrophobicContact CD2-CG 4.23Å; L277-L279 HydrophobicContact CG-CD2 4.34Å; L277-L279 HydrophobicContact CG-CG 4.21Å; L279-L283 HydrophobicContact CB-CD2 4.44Å; L279-L283 HydrophobicContact CD1-CD2 4.43Å; L279-Q284 WeakPolarHBondContact CA-O 3.39Å; L279-R285 HydrophobicContact CD2-CB 4.43Å; L279-R285 HydrophobicContact CD2-CG 3.53Å
280D98Very high97.5Very high65 Ų6554 Ų5435%0.34827%0.274SS..  trans-78.2-179.117477.7-0.3000112.3S51 H282 L283 Q284S51-D280 VanDerWaalsContact CB-O 3.26Å; S51-D280 WeakPolarHBondContact CB-O 3.39Å; S51-D280 PolarHBondContact OG-O 3.25Å; D280-H282 PolarHBondContact O-N 2.99Å; D280-H282 VanDerWaalsContact OD1-C 3.24Å; D280-H282 VanDerWaalsContact OD1-CA 3.29Å; D280-H282 WeakPolarHBondContact OD1-CA 3.44Å; D280-H282 WeakPolarHBondContact OD1-CB 3.33Å; D280-H282 PolarHBondContact OD1-N 3.21Å; D280-L283 PolarHBondContact O-N 3.17Å; D280-L283 PolarHBondContact OD1-N 3Å; D280-L283 VanDerWaalsContact OD1-N 3.08Å; D280-Q284 PolarHBondContact N-O 3.4Å; D280-Q284 WeakPolarHBondContact OD1-CB 3.48Å; D280-Q284 PolarHBondContact OD1-N 2.83Å; D280-Q284 WeakPolarHBondContact OD2-CB 3.33Å
281E96.5Very high97.8Very high142 Ų14258.9 Ų58.966%0.66429%0.292SS*.THydrogen-bonded Turntrans-58.5-9.8177.4-64.9177.1-172.200114.6P52P52-E281 HydrophobicContact CG-CG 4.33Å
282H96.6Very high97.7Very high140 Ų14058 Ų5865%0.64828%0.279SS*.THydrogen-bonded Turntrans-118.214.9179.7-58.3-37000112.1D280 Q284D280-H282 PolarHBondContact O-N 2.99Å; D280-H282 VanDerWaalsContact OD1-C 3.24Å; D280-H282 VanDerWaalsContact OD1-CA 3.29Å; D280-H282 WeakPolarHBondContact OD1-CA 3.44Å; D280-H282 WeakPolarHBondContact OD1-CB 3.33Å; D280-H282 PolarHBondContact OD1-N 3.21Å; H282-Q284 HydrophobicContact CB-CG 4.25Å; H282-Q284 PolarHBondContact O-N 3.07Å; H282-Q284 VanDerWaalsContact O-N 3.15Å; H282-Q284 PolarHBondContact O-NE2 2.92Å
283L96.6Very high97.3Very high38 Ų3858 Ų5820%0.19928%0.28CS..  trans55.125.2-175.3-59.4174.8000113.3I160 D161 K163 I164 L279 D280I160-L283 HydrophobicContact CG2-CD2 4.08Å; D161-L283 HydrophobicContact CB-CD1 4.01Å; D161-L283 HydrophobicContact CB-CD2 4.24Å; D161-L283 HydrophobicContact CB-CG 4.48Å; D161-L283 VanDerWaalsContact OD2-CD2 3.28Å; D161-L283 WeakPolarHBondContact OD2-CD2 3.43Å; K163-L283 HydrophobicContact CB-CD1 4.27Å; I164-L283 HydrophobicContact CD1-CD2 4.25Å; L279-L283 HydrophobicContact CB-CD2 4.44Å; L279-L283 HydrophobicContact CD1-CD2 4.43Å; D280-L283 PolarHBondContact O-N 3.17Å; D280-L283 PolarHBondContact OD1-N 3Å; D280-L283 VanDerWaalsContact OD1-N 3.08Å
284Q96.9Very high96.7Very high125 Ų12559.8 Ų59.858%0.58429%0.293SS*.  trans-68.5135.9167.3-57-56.2-5600108.4L279 D280 H282L279-Q284 WeakPolarHBondContact CA-O 3.39Å; D280-Q284 PolarHBondContact N-O 3.4Å; D280-Q284 WeakPolarHBondContact OD1-CB 3.48Å; D280-Q284 PolarHBondContact OD1-N 2.83Å; D280-Q284 WeakPolarHBondContact OD2-CB 3.33Å; H282-Q284 HydrophobicContact CB-CG 4.25Å; H282-Q284 PolarHBondContact O-N 3.07Å; H282-Q284 VanDerWaalsContact O-N 3.15Å; H282-Q284 PolarHBondContact O-NE2 2.92Å
285R97Very high95.4Very high118 Ų11867.9 Ų67.945%0.44533%0.33SS..EExtended strand (participates in β ladder)trans-101.6122.5-169.9-65.9165.6-71166.94.8108.9E255 L277 E278 L279E255-R285 IonicContact OE2-NH1 3.57Å; L277-R285 HydrophobicContact CD1-CB 3.83Å; L277-R285 HydrophobicContact CD1-CG 4.08Å; E278-R285 WeakPolarHBondContact O-CA 3.41Å; L279-R285 HydrophobicContact CD2-CB 4.43Å; L279-R285 HydrophobicContact CD2-CG 3.53Å
286E98.1Very high93.9Very high125 Ų12577 Ų7758%0.58437%0.373SS*.EExtended strand (participates in β ladder)trans-121.8137.3167.8-175.8166.7-179.400109.7E278E278-E286 HydrophobicContact CB-CB 4.43Å; E278-E286 PolarHBondContact N-O 2.83Å; E278-E286 PolarHBondContact O-N 2.84Å
287F98.4Very high92.6Very high47 Ų4780.5 Ų80.521%0.20640%0.395CS..EExtended strand (participates in β ladder)trans-106123.1176-70.4-83.6000109.5Y249 W251 L258 I276 L277Y249-F287 HydrophobicContact CD1-CB 4.37Å; Y249-F287 AromaticContact CD1-CD1 3.73Å; Y249-F287 HydrophobicContact CD1-CD1 3.73Å; Y249-F287 HydrophobicContact CD1-CE1 4.14Å; Y249-F287 HydrophobicContact CD1-CG 4.04Å; Y249-F287 HydrophobicContact CD2-CD1 4.1Å; Y249-F287 AromaticContact CD2-CE1 3.69Å; Y249-F287 HydrophobicContact CD2-CE1 3.69Å; Y249-F287 HydrophobicContact CD2-CE2 4.18Å; Y249-F287 HydrophobicContact CD2-CG 4.49Å; Y249-F287 AromaticContact CD2-CZ 3.74Å; Y249-F287 HydrophobicContact CD2-CZ 3.74Å; Y249-F287 HydrophobicContact CE1-CB 4.06Å; Y249-F287 HydrophobicContact CE1-CD1 4.09Å; Y249-F287 HydrophobicContact CE1-CD2 4.33Å; Y249-F287 AromaticContact CE1-CG 3.91Å; Y249-F287 HydrophobicContact CE1-CG 3.91Å; Y249-F287 HydrophobicContact CE2-CD1 4.44Å; Y249-F287 HydrophobicContact CE2-CD2 4.14Å; Y249-F287 HydrophobicContact CE2-CE1 4.24Å; Y249-F287 AromaticContact CE2-CE2 3.95Å; Y249-F287 HydrophobicContact CE2-CE2 3.95Å; Y249-F287 HydrophobicContact CE2-CG 4.38Å; Y249-F287 AromaticContact CE2-CZ 3.99Å; Y249-F287 HydrophobicContact CE2-CZ 3.99Å; Y249-F287 AromaticContact CG-CD1 3.73Å; Y249-F287 HydrophobicContact CG-CD1 3.73Å; Y249-F287 AromaticContact CG-CE1 3.63Å; Y249-F287 HydrophobicContact CG-CE1 3.63Å; Y249-F287 HydrophobicContact CG-CG 4.32Å; Y249-F287 HydrophobicContact CG-CZ 4.17Å; W251-F287 HydrophobicContact CZ2-CE2 4.18Å; W251-F287 AromaticContact CZ2-CZ 3.94Å; W251-F287 HydrophobicContact CZ2-CZ 3.94Å; L258-F287 HydrophobicContact CD1-CE1 3.96Å; L258-F287 HydrophobicContact CD1-CZ 3.73Å; L258-F287 HydrophobicContact CD2-CE1 3.8Å; L258-F287 HydrophobicContact CD2-CZ 3.66Å; L258-F287 HydrophobicContact CG-CE1 4.45Å; L258-F287 HydrophobicContact CG-CZ 4.35Å; I276-F287 WeakPolarHBondContact O-CA 3.16Å; L277-F287 HydrophobicContact CB-CD1 4.36Å; L277-F287 HydrophobicContact CB-CE1 4.13Å; L277-F287 HydrophobicContact CD1-CD1 4.3Å; L277-F287 HydrophobicContact CD1-CE1 3.93Å; L277-F287 HydrophobicContact CD1-CE2 4.32Å; L277-F287 HydrophobicContact CD1-CZ 3.94Å
288I98.4Very high91.1Very high35 Ų3582.6 Ų82.618%0.17940%0.402CS..EExtended strand (participates in β ladder)trans-100.5113.5170.4-58.5-179.5000107.9V72 A275 I276 E278V72-I288 HydrophobicContact CB-CG2 3.83Å; V72-I288 HydrophobicContact CG2-CG2 3.75Å; A275-I288 VanDerWaalsContact CA-O 3.26Å; A275-I288 WeakPolarHBondContact CA-O 3.45Å; I276-I288 HydrophobicContact CD1-CB 4.14Å; I276-I288 HydrophobicContact CD1-CD1 4.37Å; I276-I288 HydrophobicContact CG1-CB 3.75Å; I276-I288 HydrophobicContact CG1-CG2 4.46Å; I276-I288 PolarHBondContact N-O 3.23Å; I276-I288 PolarHBondContact O-N 3.5Å; E278-I288 HydrophobicContact CG-CD1 4.08Å; E278-I288 HydrophobicContact CG-CG1 4.45Å; E278-I288 VanDerWaalsContact OE1-CD1 3.23Å; E278-I288 WeakPolarHBondContact OE1-CD1 3.21Å
289I98.4Very high89.2Confident94 Ų9481.6 Ų81.648%0.48241%0.406SS..EExtended strand (participates in β ladder)trans-94135.3177.2-57.8174.5000108.9Y249 V273 A274 A275Y249-I289 HydrophobicContact CE1-CD1 4.24Å; V273-I289 HydrophobicContact CB-CG2 3.91Å; V273-I289 HydrophobicContact CG2-CG2 3.64Å; A274-I289 CarbonylContact O-C 3.55Å; A274-I289 WeakPolarHBondContact O-CA 3.34Å; A275-I289 HydrophobicContact CB-CG1 4.47Å
290F98.2Very high87Confident8 Ų888.5 Ų88.54%0.03544%0.441CS..EExtended strand (participates in β ladder)trans-140.1151.6177.565.3-79.6000112.2E68 L69 V72 P264 A274 I276E68-F290 HydrophobicContact CB-CD2 4.35Å; E68-F290 HydrophobicContact CG-CB 4.47Å; E68-F290 HydrophobicContact CG-CD2 3.86Å; L69-F290 HydrophobicContact CB-CE2 4.31Å; L69-F290 HydrophobicContact CB-CZ 3.93Å; L69-F290 HydrophobicContact CD1-CZ 4.23Å; L69-F290 HydrophobicContact CG-CZ 4.31Å; V72-F290 HydrophobicContact CG1-CB 4.45Å; V72-F290 HydrophobicContact CG2-CB 4.32Å; V72-F290 HydrophobicContact CG2-CD1 4.12Å; V72-F290 HydrophobicContact CG2-CG 4.28Å; P264-F290 HydrophobicContact CG-CD2 4.3Å; P264-F290 HydrophobicContact CG-CE2 3.99Å; A274-F290 HydrophobicContact CB-CD1 4.09Å; A274-F290 HydrophobicContact CB-CD2 4.17Å; A274-F290 HydrophobicContact CB-CE1 3.6Å; A274-F290 HydrophobicContact CB-CE2 3.7Å; A274-F290 HydrophobicContact CB-CG 4.36Å; A274-F290 HydrophobicContact CB-CZ 3.39Å; A274-F290 PolarHBondContact N-O 3.49Å; A274-F290 PolarHBondContact O-N 3.39Å; I276-F290 HydrophobicContact CG2-CE1 4.21Å
291E97Very high85Confident148 Ų14888.4 Ų88.469%0.69244%0.444SS*.PPolyproline II helixtrans-94.4172.9178.3-64.9-170.5162.600111.4V273V273-E291 HydrophobicContact CG1-CG 4.31Å
292A93.9Very high82.9Confident34 Ų3485.5 Ų85.528%0.28144%0.44SS..PPolyproline II helixtrans-65.6135.5179.100000110.8P264 N265 R298P264-A292 HydrophobicContact CB-CB 4.03Å; P264-A292 HydrophobicContact CG-CB 4.05Å; N265-A292 HydrophobicContact CB-CB 3.88Å; A292-R298 VanDerWaalsContact CB-NH2 3.29Å
293A89.8Confident80.4Confident6 Ų688.5 Ų88.55%0.0545%0.451CS..PPolyproline II helixtrans-55.2139.6179.100000110.7D65 Q295 R298D65-A293 VanDerWaalsContact OD1-CB 3.3Å; D65-A293 WeakPolarHBondContact OD1-CB 3.47Å; D65-A293 PolarHBondContact OD1-N 3.49Å; A293-Q295 PolarHBondContact O-N 3.18Å; A293-R298 PolarHBondContact O-NE 2.99Å
294P83.6Confident78.4Confident76 Ų7695.5 Ų95.549%0.49448%0.48SS..PPolyproline II helixtrans-53.8140.5-174.3-25.532000112.2E296 T297P294-E296 PolarHBondContact O-N 2.67Å; P294-T297 HydrophobicContact CB-CG2 4.3Å; P294-T297 HydrophobicContact CG-CG2 4.46Å; P294-T297 WeakPolarHBondContact O-CB 3.13Å; P294-T297 PolarHBondContact O-N 2.99Å; P294-T297 PolarHBondContact O-OG1 3.03Å
295Q71.6Confident76.1Confident169 Ų16995.3 Ų95.379%0.7949%0.489SS*.THydrogen-bonded Turntrans-60.4-25.8-175.6-166.1159.622.100113.5A293 T297 R298A293-Q295 PolarHBondContact O-N 3.18Å; Q295-T297 VanDerWaalsContact C-N 3.26Å; Q295-T297 PolarHBondContact O-N 2.91Å; Q295-R298 WeakPolarHBondContact O-CB 3.38Å; Q295-R298 PolarHBondContact O-N 3.32Å
296E67.7Low74.1Confident193 Ų19394.9 Ų94.990%0.90250%0.5SS*.THydrogen-bonded Turntrans-65.1-27.9174.6-62.7169.4-179.700113.1P294P294-E296 PolarHBondContact O-N 2.67Å
297T70.5Confident72.2Confident73 Ų7390.1 Ų90.145%0.44848%0.481SS..THydrogen-bonded Turntrans-81.1-22.1175.867.60000112.1Y64 P294 Q295 G299Y64-T297 VanDerWaalsContact CD1-O 3.26Å; Y64-T297 WeakPolarHBondContact CD1-O 3.39Å; Y64-T297 WeakPolarHBondContact CE1-O 3.5Å; P294-T297 HydrophobicContact CB-CG2 4.3Å; P294-T297 HydrophobicContact CG-CG2 4.46Å; P294-T297 WeakPolarHBondContact O-CB 3.13Å; P294-T297 PolarHBondContact O-N 2.99Å; P294-T297 PolarHBondContact O-OG1 3.03Å; Q295-T297 VanDerWaalsContact C-N 3.26Å; Q295-T297 PolarHBondContact O-N 2.91Å; T297-G299 PolarHBondContact O-N 3.14Å
298R68.2Low70.4Confident43 Ų4394.5 Ų94.516%0.16251%0.507CS..SBendtrans-78.8112-179.4-58.2178.9179.8-152.9-18.5108.2Y64 D65 A292 A293 Q295 I300Y64-R298 HydrophobicContact CD2-CB 4.22Å; Y64-R298 HydrophobicContact CD2-CG 4.11Å; Y64-R298 HydrophobicContact CE2-CB 4.44Å; Y64-R298 HydrophobicContact CG-CG 4.21Å; D65-R298 VanDerWaalsContact CG-NH2 3.3Å; D65-R298 IonicContact OD1-CZ 3.37Å; D65-R298 IonicContact OD1-NH2 3.46Å; D65-R298 PolarHBondContact OD1-NH2 3.1Å; D65-R298 IonicContact OD2-CZ 3.84Å; D65-R298 IonicContact OD2-NH2 3.51Å; D65-R298 PolarHBondContact OD2-NH2 3.44Å; A292-R298 VanDerWaalsContact CB-NH2 3.29Å; A293-R298 PolarHBondContact O-NE 2.99Å; Q295-R298 WeakPolarHBondContact O-CB 3.38Å; Q295-R298 PolarHBondContact O-N 3.32Å; R298-I300 PolarHBondContact O-N 2.63Å
299G58Low68.8Low30 Ų3095 Ų9531%0.30951%0.507SS..PPolyproline II helixtrans-50.8138.8172.300000110.6Y64 Y93 T297 P301Y64-G299 PolarHBondContact OH-N 3.48Å; Y93-G299 PolarHBondContact OH-O 2.84Å; T297-G299 PolarHBondContact O-N 3.14Å; G299-P301 VanDerWaalsContact O-CD 3.22Å; G299-P301 WeakPolarHBondContact O-CD 3.3Å; G299-P301 VanDerWaalsContact O-N 3.07Å
300I54.2Low66.7Low149 Ų14991 Ų9176%0.76449%0.486SS*.PPolyproline II helixtrans-56.3117.3-175.7-61163.6000108.9R298 S302R298-I300 PolarHBondContact O-N 2.63Å; I300-S302 PolarHBondContact O-N 2.92Å
301P55.7Low64Low63 Ų6398.4 Ų98.441%0.40953%0.525SS..PPolyproline II helixtrans-58128.7170.7-19.530.9000107.5F92 G299 K303F92-P301 HydrophobicContact CD2-CB 4.33Å; F92-P301 HydrophobicContact CD2-CG 4.27Å; F92-P301 HydrophobicContact CE2-CB 4.26Å; F92-P301 HydrophobicContact CE2-CG 4.22Å; G299-P301 VanDerWaalsContact O-CD 3.22Å; G299-P301 WeakPolarHBondContact O-CD 3.3Å; G299-P301 VanDerWaalsContact O-N 3.07Å; P301-K303 PolarHBondContact O-N 3.34Å
302S51.9Low62.4Low81 Ų8196 Ų9657%0.56652%0.517SS*.  trans-51.6109.1176.752.10000108.7I300 K304I300-S302 PolarHBondContact O-N 2.92Å; S302-K304 PolarHBondContact O-N 3Å
303K43.4Very low60.7Low204 Ų20499.2 Ų99.289%0.88753%0.529SS*.SBendtrans-41.897.9-173.5-73.2-179.3175.8179.60111.7P301P301-K303 PolarHBondContact O-N 3.34Å
304K55Low59.1Low185 Ų185104.4 Ų104.480%0.80456%0.556SS**  trans-148.5151.5169.4-80.7-160.6179.9-1780108.6S302S302-K304 PolarHBondContact O-N 3Å
305P49.9Very low57.7Low120 Ų120106.1 Ų106.178%0.77956%0.56SS**  trans-55.9148.4-169.922.7-33.3000110.9A307P305-A307 PolarHBondContact O-N 3.01Å
306V54.8Low56.8Low110 Ų110102.1 Ų102.167%0.66755%0.545SS*.  trans-43.2114.8170.4179.30000107.1F310V306-F310 HydrophobicContact CG1-CB 3.85Å; V306-F310 HydrophobicContact CG1-CD2 3.72Å; V306-F310 HydrophobicContact CG1-CG 4.12Å
307A58.5Low56.1Low24 Ų2496.1 Ų96.120%0.19852%0.521CS..  trans-60.3141-179.200000109.7P305 Y309 F310P305-A307 PolarHBondContact O-N 3.01Å; A307-Y309 HydrophobicContact CB-CD1 3.63Å; A307-Y309 HydrophobicContact CB-CD2 4.25Å; A307-Y309 HydrophobicContact CB-CE1 3.22Å; A307-Y309 HydrophobicContact CB-CE2 3.86Å; A307-Y309 HydrophobicContact CB-CG 4.12Å; A307-Y309 PolarHBondContact O-N 3.01Å; A307-F310 HydrophobicContact CB-CD2 3.88Å; A307-F310 HydrophobicContact CB-CE2 3.88Å; A307-F310 VanDerWaalsContact O-CD2 3.3Å; A307-F310 WeakPolarHBondContact O-CD2 3.3Å; A307-F310 PolarHBondContact O-N 2.89Å
308D59.1Low55Low140 Ų14097.7 Ų97.775%0.74953%0.527SS*.G310 helixtrans-60-20.7-174.9-65.3-34.6000112.6F310 L311D308-F310 VanDerWaalsContact C-N 3.26Å; D308-F310 PolarHBondContact O-N 3.2Å; D308-L311 WeakPolarHBondContact O-CB 3.37Å; D308-L311 PolarHBondContact O-N 3.49Å
309Y64.4Low54Low46 Ų46101.9 Ų101.918%0.1856%0.555CS.*G310 helixtrans-78.15.5174.164.3-108.1000114.7R90 Y128 A307R90-Y309 WeakPolarHBondContact CD-O 3.4Å; R90-Y309 PolarHBondContact NH1-O 3.29Å; Y128-Y309 VanDerWaalsContact O-CD2 3.31Å; Y128-Y309 WeakPolarHBondContact O-CD2 3.1Å; A307-Y309 HydrophobicContact CB-CD1 3.63Å; A307-Y309 HydrophobicContact CB-CD2 4.25Å; A307-Y309 HydrophobicContact CB-CE1 3.22Å; A307-Y309 HydrophobicContact CB-CE2 3.86Å; A307-Y309 HydrophobicContact CB-CG 4.12Å; A307-Y309 PolarHBondContact O-N 3.01Å
310F55Low53.7Low9 Ų9107.9 Ų107.94%0.03958%0.575CS.*G310 helixtrans-83.62.6164.3-72-72.1000112.7R90 F92 C267 Y268 R269 V306 A307 D308R90-F310 WeakPolarHBondContact O-CE1 3.38Å; R90-F310 WeakPolarHBondContact O-CZ 3.31Å; F92-F310 HydrophobicContact CD1-CZ 4.17Å; F92-F310 HydrophobicContact CD2-CZ 4.46Å; F92-F310 AromaticContact CE1-CE2 3.61Å; F92-F310 HydrophobicContact CE1-CE2 3.61Å; F92-F310 AromaticContact CE1-CZ 3.55Å; F92-F310 HydrophobicContact CE1-CZ 3.55Å; F92-F310 HydrophobicContact CE2-CE2 4.42Å; F92-F310 AromaticContact CE2-CZ 3.87Å; F92-F310 HydrophobicContact CE2-CZ 3.87Å; F92-F310 AromaticContact CZ-CE2 3.52Å; F92-F310 HydrophobicContact CZ-CE2 3.52Å; F92-F310 AromaticContact CZ-CZ 3.37Å; F92-F310 HydrophobicContact CZ-CZ 3.37Å; C267-F310 HydrophobicContact CB-CD1 3.94Å; Y268-F310 HydrophobicContact CD2-CD1 4.41Å; Y268-F310 AromaticContact CD2-CE1 3.72Å; Y268-F310 HydrophobicContact CD2-CE1 3.72Å; Y268-F310 HydrophobicContact CD2-CZ 4.17Å; Y268-F310 AromaticContact CE2-CE1 3.57Å; Y268-F310 HydrophobicContact CE2-CE1 3.57Å; Y268-F310 AromaticContact CE2-CZ 3.83Å; Y268-F310 HydrophobicContact CE2-CZ 3.83Å; R269-F310 PolarHBondContact NH1-O 3.31Å; V306-F310 HydrophobicContact CG1-CB 3.85Å; V306-F310 HydrophobicContact CG1-CD2 3.72Å; V306-F310 HydrophobicContact CG1-CG 4.12Å; A307-F310 HydrophobicContact CB-CD2 3.88Å; A307-F310 HydrophobicContact CB-CE2 3.88Å; A307-F310 VanDerWaalsContact O-CD2 3.3Å; A307-F310 WeakPolarHBondContact O-CD2 3.3Å; A307-F310 PolarHBondContact O-N 2.89Å; D308-F310 VanDerWaalsContact C-N 3.26Å; D308-F310 PolarHBondContact O-N 3.2Å
311L42.3Very low53.6Low164 Ų164104.2 Ų104.286%0.85956%0.558SS**  trans-93.60174.7-62.3163.2000111.6R90 D308R90-L311 PolarHBondContact NH1-O 3.38Å; D308-L311 WeakPolarHBondContact O-CB 3.37Å; D308-L311 PolarHBondContact O-N 3.49Å

Retrieved 311 of 311 residues in 1135.5 ms (Link to these results)

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