A0A087YGZ5_POEFO Loading...

Glycine N-acyltransferase-like protein

AlphaFold DB , UniProt , Accession A0A087YGZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 272 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M94.6Very high94.5Very high117 Ų11767.7 Ų67.758%0.57634%0.342SS*.  0136.80174-179.2177.400109.5Q7 L43 V44 W47M1-Q7 VanDerWaalsContact CE-NE2 3.27Å; M1-L43 CarbonylContact O-C 3.55Å; M1-L43 VanDerWaalsContact O-CA 3.27Å; M1-L43 WeakPolarHBondContact O-CA 3.45Å; M1-V44 HydrophobicContact CB-CG2 4.19Å; M1-V44 PolarHBondContact N-O 3.09Å; M1-V44 PolarHBondContact O-N 3.11Å; M1-W47 HydrophobicContact SD-CB 3.8Å; M1-W47 HydrophobicContact SD-CG 4.42Å
2E97.1Very high94.5Very high113 Ų11364.8 Ų64.853%0.52833%0.326SS..BIsolated β-bridgetrans-83.8135.7171.7-176.3172.4176.100110.8I41 V42 L43E2-I41 HydrophobicContact CG-CG2 3.91Å; E2-V42 WeakPolarHBondContact CA-O 3.48Å; E2-L43 HydrophobicContact CB-CD2 3.78Å; E2-L43 HydrophobicContact CG-CD2 4.34Å
3L96.6Very high94.5Very high12 Ų1266.4 Ų66.46%0.06334%0.335CS..PPolyproline II helixtrans-84137.1-180-61.3-169.8000112Q7 L8 A11 V42 V44 W47 I53L3-Q7 HydrophobicContact CB-CB 4.13Å; L3-Q7 HydrophobicContact CD2-CB 4.17Å; L3-L8 HydrophobicContact CB-CD2 3.79Å; L3-L8 HydrophobicContact CB-CG 4.3Å; L3-L8 HydrophobicContact CD1-CD2 4.02Å; L3-A11 HydrophobicContact CD1-CB 4.03Å; L3-V42 HydrophobicContact CB-CB 4.49Å; L3-V42 HydrophobicContact CD1-CG1 3.91Å; L3-V42 HydrophobicContact CG-CG1 4.27Å; L3-V42 PolarHBondContact N-O 3.39Å; L3-V44 HydrophobicContact CD1-CG1 3.86Å; L3-V44 HydrophobicContact CD2-CB 4.5Å; L3-V44 HydrophobicContact CD2-CG1 4.1Å; L3-V44 HydrophobicContact CD2-CG2 3.59Å; L3-V44 HydrophobicContact CG-CG1 4.07Å; L3-V44 HydrophobicContact CG-CG2 4.32Å; L3-W47 HydrophobicContact CD1-CE3 4.24Å; L3-W47 HydrophobicContact CD1-CH2 4.38Å; L3-W47 HydrophobicContact CD1-CZ3 3.67Å; L3-W47 HydrophobicContact CD2-CD2 3.91Å; L3-W47 HydrophobicContact CD2-CE3 3.31Å; L3-W47 HydrophobicContact CD2-CH2 4.4Å; L3-W47 HydrophobicContact CD2-CZ3 3.59Å; L3-W47 HydrophobicContact CG-CE3 4.44Å; L3-W47 HydrophobicContact CG-CZ3 4.3Å; L3-I53 HydrophobicContact CD1-CD1 4.42Å
4T95.4Very high94.5Very high82 Ų8265 Ų6550%0.50333%0.327SS..PPolyproline II helixtrans-78.8165.3168.862.40000111.8D6 Q7 L8T4-D6 VanDerWaalsContact C-N 3.3Å; T4-D6 PolarHBondContact O-N 3.48Å; T4-Q7 WeakPolarHBondContact O-CB 3.17Å; T4-Q7 PolarHBondContact O-N 3.25Å; T4-Q7 VanDerWaalsContact OG1-CG 3.31Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.33Å; T4-Q7 PolarHBondContact OG1-OE1 2.91Å; T4-L8 WeakPolarHBondContact O-CG 3.36Å; T4-L8 PolarHBondContact O-N 2.84Å
5E91.4Very high94.6Very high104 Ų10460.7 Ų60.749%0.48631%0.305SS..Hα-helixtrans-55.4-39-179.6-65.4-59.2143.900114L8 R32E5-L8 PolarHBondContact O-N 3.05Å; E5-R32 IonicContact OE1-CZ 3.81Å; E5-R32 IonicContact OE1-NH1 3.55Å; E5-R32 PolarHBondContact OE1-NH1 2.79Å; E5-R32 IonicContact OE1-NH2 2.74Å; E5-R32 PolarHBondContact OE1-NH2 2.86Å; E5-R32 IonicContact OE2-CZ 3.81Å; E5-R32 IonicContact OE2-NH1 2.98Å; E5-R32 PolarHBondContact OE2-NH1 2.93Å; E5-R32 IonicContact OE2-NH2 3.71Å
6D92.9Very high94.6Very high110 Ų11063.3 Ų63.359%0.58832%0.316SS*.Hα-helixtrans-73-32.7177.9-71.5-32.4000112.2T4 L8 K9T4-D6 VanDerWaalsContact C-N 3.3Å; T4-D6 PolarHBondContact O-N 3.48Å; D6-L8 VanDerWaalsContact C-N 3.33Å; D6-K9 PolarHBondContact O-N 2.99Å; D6-K9 IonicContact OD1-NZ 2.71Å; D6-K9 PolarHBondContact OD1-NZ 2.87Å
7Q95.9Very high94.6Very high28 Ų2869.6 Ų69.613%0.13134%0.335CS..Hα-helixtrans-68.1-33.5173.2-68.7172.9-59.900111.7M1 L3 T4 K9 V10 A11 W47M1-Q7 VanDerWaalsContact CE-NE2 3.27Å; L3-Q7 HydrophobicContact CB-CB 4.13Å; L3-Q7 HydrophobicContact CD2-CB 4.17Å; T4-Q7 WeakPolarHBondContact O-CB 3.17Å; T4-Q7 PolarHBondContact O-N 3.25Å; T4-Q7 VanDerWaalsContact OG1-CG 3.31Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.33Å; T4-Q7 PolarHBondContact OG1-OE1 2.91Å; Q7-K9 VanDerWaalsContact C-N 3.29Å; Q7-K9 PolarHBondContact O-N 3.06Å; Q7-V10 PolarHBondContact O-N 3.25Å; Q7-V10 VanDerWaalsContact O-N 3.12Å; Q7-A11 PolarHBondContact O-N 3.48Å; Q7-W47 HydrophobicContact CB-CH2 3.7Å; Q7-W47 HydrophobicContact CB-CZ2 3.46Å; Q7-W47 VanDerWaalsContact CB-CZ2 3.46Å; Q7-W47 HydrophobicContact CB-CZ3 4.35Å; Q7-W47 HydrophobicContact CG-CD2 4.4Å; Q7-W47 HydrophobicContact CG-CH2 4.28Å; Q7-W47 HydrophobicContact CG-CZ2 3.54Å; Q7-W47 VanDerWaalsContact NE2-NE1 3.1Å; Q7-W47 WeakPolarHBondContact O-CH2 3.48Å
8L94.5Very high94.6Very high2 Ų268.8 Ų68.81%0.0133%0.331CS..Hα-helixtrans-60.7-36.8176.1-66.3176.9000112.6L3 T4 E5 D6 V10 A11 E12 L29 R32 V42L3-L8 HydrophobicContact CB-CD2 3.79Å; L3-L8 HydrophobicContact CB-CG 4.3Å; L3-L8 HydrophobicContact CD1-CD2 4.02Å; T4-L8 WeakPolarHBondContact O-CG 3.36Å; T4-L8 PolarHBondContact O-N 2.84Å; E5-L8 PolarHBondContact O-N 3.05Å; D6-L8 VanDerWaalsContact C-N 3.33Å; L8-V10 VanDerWaalsContact C-N 3.32Å; L8-V10 PolarHBondContact O-N 2.71Å; L8-A11 PolarHBondContact O-N 2.99Å; L8-E12 PolarHBondContact O-N 2.84Å; L8-L29 HydrophobicContact CD2-CD2 3.91Å; L8-R32 VanDerWaalsContact CD1-CZ 3.47Å; L8-R32 VanDerWaalsContact CD1-NH1 3.32Å; L8-V42 HydrophobicContact CD2-CB 3.73Å; L8-V42 HydrophobicContact CD2-CG1 3.82Å; L8-V42 HydrophobicContact CD2-CG2 3.74Å
9K92Very high94.6Very high115 Ų11568.7 Ų68.750%0.533%0.332SS..Hα-helixtrans-63.7-38.4175.1-61.8170.2-170.1154.60111.9D6 Q7D6-K9 PolarHBondContact O-N 2.99Å; D6-K9 IonicContact OD1-NZ 2.71Å; D6-K9 PolarHBondContact OD1-NZ 2.87Å; Q7-K9 VanDerWaalsContact C-N 3.29Å; Q7-K9 PolarHBondContact O-N 3.06Å
10V94.2Very high94.6Very high62 Ų6267.7 Ų67.738%0.37633%0.331SS..Hα-helixtrans-70.1-41.1176.2178.90000110.6Q7 L8 E12 I13 E14 W47Q7-V10 PolarHBondContact O-N 3.25Å; Q7-V10 VanDerWaalsContact O-N 3.12Å; L8-V10 VanDerWaalsContact C-N 3.32Å; L8-V10 PolarHBondContact O-N 2.71Å; V10-E12 VanDerWaalsContact C-N 3.3Å; V10-E12 PolarHBondContact O-N 3.09Å; V10-I13 PolarHBondContact O-N 3.11Å; V10-I13 VanDerWaalsContact O-N 3.17Å; V10-E14 PolarHBondContact O-N 3.38Å; V10-E14 VanDerWaalsContact O-N 3.07Å; V10-W47 HydrophobicContact CB-CH2 3.96Å; V10-W47 HydrophobicContact CB-CZ2 3.97Å; V10-W47 HydrophobicContact CG1-CH2 4.09Å; V10-W47 HydrophobicContact CG1-CZ2 4.05Å
11A95.4Very high94.6Very high0 Ų068.9 Ų68.90%034%0.336CS..Hα-helixtrans-61.6-37176.800000112.2L3 Q7 L8 I13 E14 L15 L29 W47 F50L3-A11 HydrophobicContact CD1-CB 4.03Å; Q7-A11 PolarHBondContact O-N 3.48Å; L8-A11 PolarHBondContact O-N 2.99Å; A11-I13 VanDerWaalsContact C-N 3.33Å; A11-I13 PolarHBondContact O-N 2.95Å; A11-E14 PolarHBondContact O-N 2.83Å; A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 WeakPolarHBondContact O-CD1 3.45Å; A11-L15 VanDerWaalsContact O-CG 3.23Å; A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 3.25Å; A11-L29 HydrophobicContact CB-CD1 3.83Å; A11-W47 HydrophobicContact CB-CH2 4.29Å; A11-W47 HydrophobicContact CB-CZ3 4.27Å; A11-F50 HydrophobicContact CB-CE1 4.15Å
12E94.6Very high94.7Very high32 Ų3263.4 Ų63.415%0.1531%0.309CS..Hα-helixtrans-56.3-45.6173.6-175.4177158.300111.5L8 V10 L15 Q16 Y26 L29 V30 N33 R34L8-E12 PolarHBondContact O-N 2.84Å; V10-E12 VanDerWaalsContact C-N 3.3Å; V10-E12 PolarHBondContact O-N 3.09Å; E12-L15 PolarHBondContact O-N 3.08Å; E12-Q16 PolarHBondContact O-N 3.22Å; E12-Y26 HydrophobicContact CG-CD2 4.16Å; E12-Y26 HydrophobicContact CG-CE2 3.9Å; E12-L29 HydrophobicContact CB-CB 4.28Å; E12-L29 HydrophobicContact CB-CD1 4.32Å; E12-V30 HydrophobicContact CG-CG2 4.05Å; E12-V30 WeakPolarHBondContact OE1-CG2 3.3Å; E12-N33 PolarHBondContact OE2-ND2 3.2Å; E12-R34 IonicContact OE1-NH1 2.84Å
13I93.7Very high94.7Very high86 Ų8658.3 Ų58.344%0.44129%0.285SS..Hα-helixtrans-66.7-44179.2-61.7167.8000111.3V10 A11 Q16 R17V10-I13 PolarHBondContact O-N 3.11Å; V10-I13 VanDerWaalsContact O-N 3.17Å; A11-I13 VanDerWaalsContact C-N 3.33Å; A11-I13 PolarHBondContact O-N 2.95Å; I13-Q16 WeakPolarHBondContact O-CB 3.28Å; I13-Q16 PolarHBondContact O-N 2.89Å; I13-R17 PolarHBondContact O-N 3.45Å
14E94.5Very high94.7Very high47 Ų4758 Ų5822%0.2228%0.283CS..Hα-helixtrans-66.3-38179.5-67.5-55.1147.800112.2V10 A11 R17 F50V10-E14 PolarHBondContact O-N 3.38Å; V10-E14 VanDerWaalsContact O-N 3.07Å; A11-E14 PolarHBondContact O-N 2.83Å; E14-R17 PolarHBondContact O-N 3.25Å; E14-R17 IonicContact OE1-CZ 3.78Å; E14-R17 IonicContact OE1-NH1 2.61Å; E14-R17 PolarHBondContact OE1-NH1 3.48Å; E14-R17 IonicContact OE2-CZ 3.6Å; E14-R17 IonicContact OE2-NH1 3.54Å; E14-R17 PolarHBondContact OE2-NH1 3.43Å; E14-F50 HydrophobicContact CB-CE1 4.33Å; E14-F50 HydrophobicContact CB-CZ 4.39Å
15L96Very high94.8Very high0 Ų054.1 Ų54.10%026%0.26CS..Hα-helixtrans-68.1-37.2175.3-70163.7000111.4A11 E12 R17 Q18 S22 I25 Y26 L29 F50 I53 F72A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 WeakPolarHBondContact O-CD1 3.45Å; A11-L15 VanDerWaalsContact O-CG 3.23Å; A11-L15 WeakPolarHBondContact O-CG 3.34Å; A11-L15 PolarHBondContact O-N 3.25Å; E12-L15 PolarHBondContact O-N 3.08Å; L15-R17 PolarHBondContact O-N 3Å; L15-R17 VanDerWaalsContact O-N 3.16Å; L15-Q18 PolarHBondContact O-N 2.98Å; L15-S22 WeakPolarHBondContact O-CB 3.28Å; L15-S22 PolarHBondContact O-OG 2.73Å; L15-I25 HydrophobicContact CD1-CB 4.02Å; L15-I25 HydrophobicContact CD1-CG2 3.49Å; L15-I25 VanDerWaalsContact CD1-CG2 3.49Å; L15-I25 HydrophobicContact CD2-CB 4.39Å; L15-I25 HydrophobicContact CD2-CG2 4.43Å; L15-Y26 HydrophobicContact CB-CD2 4.43Å; L15-L29 HydrophobicContact CD1-CD1 3.66Å; L15-F50 HydrophobicContact CD2-CE2 3.91Å; L15-F50 HydrophobicContact CD2-CZ 3.97Å; L15-F50 HydrophobicContact CG-CE2 4.42Å; L15-F50 HydrophobicContact CG-CZ 3.96Å; L15-I53 HydrophobicContact CD1-CD1 4.39Å; L15-I53 HydrophobicContact CD2-CG2 4.24Å; L15-F72 HydrophobicContact CD2-CD1 4.02Å; L15-F72 HydrophobicContact CD2-CE1 4.4Å; L15-F72 HydrophobicContact CD2-CG 4.38Å
16Q95.6Very high95.2Very high103 Ų10350.2 Ų50.248%0.48124%0.241SC..Hα-helixtrans-55.9-34.1177.5-167.2-178.919.700112.5E12 I13 Q18 L19 Y26E12-Q16 PolarHBondContact O-N 3.22Å; I13-Q16 WeakPolarHBondContact O-CB 3.28Å; I13-Q16 PolarHBondContact O-N 2.89Å; Q16-Q18 PolarHBondContact O-N 3.46Å; Q16-L19 HydrophobicContact CG-CD1 4.12Å; Q16-L19 WeakPolarHBondContact O-CD1 3.37Å; Q16-L19 VanDerWaalsContact O-CG 3.31Å; Q16-L19 WeakPolarHBondContact O-CG 3.43Å; Q16-Y26 HydrophobicContact CB-CD2 4.07Å; Q16-Y26 HydrophobicContact CB-CE2 3.73Å; Q16-Y26 HydrophobicContact CG-CE2 3.94Å
17R94.8Very high95.4Very high171 Ų17145 Ų4565%0.64521%0.213SC*.THydrogen-bonded Turntrans-71.8-15.2177.9-63.5176.7-177.4148.73.6114I13 E14 L15I13-R17 PolarHBondContact O-N 3.45Å; E14-R17 PolarHBondContact O-N 3.25Å; E14-R17 IonicContact OE1-CZ 3.78Å; E14-R17 IonicContact OE1-NH1 2.61Å; E14-R17 PolarHBondContact OE1-NH1 3.48Å; E14-R17 IonicContact OE2-CZ 3.6Å; E14-R17 IonicContact OE2-NH1 3.54Å; E14-R17 PolarHBondContact OE2-NH1 3.43Å; L15-R17 PolarHBondContact O-N 3Å; L15-R17 VanDerWaalsContact O-N 3.16Å
18Q94.3Very high95.5Very high54 Ų5443.7 Ų43.725%0.25221%0.207SC..THydrogen-bonded Turntrans-109.720-176.8-60.4-175.355.200112L15 Q16 Q21 S22 F72 N74L15-Q18 PolarHBondContact O-N 2.98Å; Q16-Q18 PolarHBondContact O-N 3.46Å; Q18-Q21 PolarHBondContact O-N 3.46Å; Q18-Q21 VanDerWaalsContact O-N 3.11Å; Q18-Q21 PolarHBondContact O-OE1 3.41Å; Q18-S22 VanDerWaalsContact C-OG 3.27Å; Q18-S22 PolarHBondContact O-N 2.7Å; Q18-S22 PolarHBondContact O-OG 2.89Å; Q18-F72 HydrophobicContact CB-CZ 4.25Å; Q18-N74 PolarHBondContact OE1-ND2 3.07Å
19L94.9Very high95.6Very high68 Ų6843.6 Ų43.636%0.35621%0.206SC..THydrogen-bonded Turntrans-69.6145.5172.6-69.3175.1000110.6Q16 S22 L23 Y26Q16-L19 HydrophobicContact CG-CD1 4.12Å; Q16-L19 WeakPolarHBondContact O-CD1 3.37Å; Q16-L19 VanDerWaalsContact O-CG 3.31Å; Q16-L19 WeakPolarHBondContact O-CG 3.43Å; L19-S22 WeakPolarHBondContact CD2-OG 3.42Å; L19-S22 PolarHBondContact N-OG 2.94Å; L19-L23 HydrophobicContact CD2-CB 3.78Å; L19-L23 HydrophobicContact CD2-CD1 3.74Å; L19-L23 HydrophobicContact CD2-CG 4.37Å; L19-Y26 HydrophobicContact CD1-CD1 4.39Å; L19-Y26 HydrophobicContact CD1-CE1 4.38Å; L19-Y26 HydrophobicContact CD2-CD1 4.09Å; L19-Y26 HydrophobicContact CD2-CG 4.27Å
20P94.4Very high95.8Very high48 Ų4838.1 Ų38.131%0.31218%0.182SC..THydrogen-bonded Turncis-86.4-63.834.1-36.5000115.2S22 L23 M126 I128P20-S22 VanDerWaalsContact C-N 3.27Å; P20-S22 PolarHBondContact O-N 3.49Å; P20-L23 WeakPolarHBondContact O-CB 3.45Å; P20-L23 PolarHBondContact O-N 3.26Å; P20-M126 HydrophobicContact CB-CE 4.13Å; P20-I128 HydrophobicContact CB-CD1 3.7Å
21Q93.5Very high95.8Very high93 Ų9335.2 Ų35.244%0.43517%0.165SC..THydrogen-bonded Turntrans-64.6-30.7-171.9-64.280.61.400113.1Q18 L23 F72Q18-Q21 PolarHBondContact O-N 3.46Å; Q18-Q21 VanDerWaalsContact O-N 3.11Å; Q18-Q21 PolarHBondContact O-OE1 3.41Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-F72 HydrophobicContact CB-CE2 4.06Å; Q21-F72 WeakPolarHBondContact O-CD2 3.42Å
22S96.3Very high95.7Very high1 Ų137.8 Ų37.81%0.00717%0.174CC..THydrogen-bonded Turntrans-85.2-2177.464.90000114.3L15 Q18 L19 P20 K24 I25 Y26L15-S22 WeakPolarHBondContact O-CB 3.28Å; L15-S22 PolarHBondContact O-OG 2.73Å; Q18-S22 VanDerWaalsContact C-OG 3.27Å; Q18-S22 PolarHBondContact O-N 2.7Å; Q18-S22 PolarHBondContact O-OG 2.89Å; L19-S22 WeakPolarHBondContact CD2-OG 3.42Å; L19-S22 PolarHBondContact N-OG 2.94Å; P20-S22 VanDerWaalsContact C-N 3.27Å; P20-S22 PolarHBondContact O-N 3.49Å; S22-K24 VanDerWaalsContact C-N 3.26Å; S22-K24 PolarHBondContact O-N 2.93Å; S22-K24 VanDerWaalsContact O-N 3.08Å; S22-I25 PolarHBondContact O-N 3.48Å; S22-Y26 PolarHBondContact O-N 3.05Å
23L97.6Very high95.3Very high6 Ų639 Ų393%0.03118%0.182CC..Hα-helixtrans-55.2-37.5-162.4179.860.6000113.8L19 P20 Q21 Y26 G27 M126 I128 P235 F237L19-L23 HydrophobicContact CD2-CB 3.78Å; L19-L23 HydrophobicContact CD2-CD1 3.74Å; L19-L23 HydrophobicContact CD2-CG 4.37Å; P20-L23 WeakPolarHBondContact O-CB 3.45Å; P20-L23 PolarHBondContact O-N 3.26Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; L23-Y26 HydrophobicContact CD1-CD1 4.24Å; L23-G27 PolarHBondContact O-N 2.82Å; L23-M126 HydrophobicContact CB-SD 4.3Å; L23-M126 HydrophobicContact CD2-SD 3.98Å; L23-I128 HydrophobicContact CD2-CD1 3.57Å; L23-I128 HydrophobicContact CD2-CG1 3.69Å; L23-P235 HydrophobicContact CD1-CB 3.76Å; L23-P235 HydrophobicContact CD1-CG 4.28Å; L23-F237 HydrophobicContact CD1-CD1 4.09Å; L23-F237 HydrophobicContact CD1-CE1 4.15Å; L23-F237 HydrophobicContact CD1-CG 4.47Å; L23-F237 HydrophobicContact CD2-CB 3.75Å; L23-F237 HydrophobicContact CD2-CD1 4.02Å; L23-F237 HydrophobicContact CD2-CD2 3.7Å; L23-F237 HydrophobicContact CD2-CE2 4.23Å; L23-F237 HydrophobicContact CD2-CG 3.57Å; L23-F237 HydrophobicContact CG-CD1 3.98Å; L23-F237 HydrophobicContact CG-CD2 3.97Å; L23-F237 HydrophobicContact CG-CE1 4.02Å; L23-F237 HydrophobicContact CG-CE2 3.99Å; L23-F237 HydrophobicContact CG-CG 3.95Å; L23-F237 HydrophobicContact CG-CZ 4.01Å
24K97.6Very high95.1Very high5 Ų540.2 Ų40.22%0.02218%0.181CC..Hα-helixtrans-64.4-46178.6-168.6173.664177.70112.4S22 F28 M70 G98 Y200 F239 E264 W266S22-K24 VanDerWaalsContact C-N 3.26Å; S22-K24 PolarHBondContact O-N 2.93Å; S22-K24 VanDerWaalsContact O-N 3.08Å; K24-F28 PolarHBondContact O-N 3.1Å; K24-F28 VanDerWaalsContact O-N 3.09Å; K24-M70 HydrophobicContact CD-CG 4.3Å; K24-M70 HydrophobicContact CG-CG 4.5Å; K24-M70 HydrophobicContact CG-SD 4.38Å; K24-G98 PolarHBondContact NZ-O 3.14Å; K24-Y200 HydrophobicContact CD-CG 4.44Å; K24-Y200 HydrophobicContact CG-CD1 4.4Å; K24-Y200 HydrophobicContact CG-CD2 3.98Å; K24-Y200 HydrophobicContact CG-CG 3.81Å; K24-Y200 WeakPolarHBondContact O-CB 3.47Å; K24-F239 HydrophobicContact CB-CZ 4.32Å; K24-F239 HydrophobicContact CD-CE2 4.2Å; K24-F239 HydrophobicContact CD-CZ 4.13Å; K24-F239 HydrophobicContact CG-CE2 4.35Å; K24-F239 HydrophobicContact CG-CZ 4.36Å; K24-E264 WeakPolarHBondContact CE-OE1 3.47Å; K24-E264 IonicContact NZ-OE1 3.07Å; K24-E264 PolarHBondContact NZ-OE1 3.46Å; K24-W266 HydrophobicContact CD-CZ2 4.36Å
25I97.9Very high94.9Very high2 Ų239.7 Ų39.71%0.0118%0.181CC..Hα-helixtrans-74.3-38.8178.5-53.5-62000110.6L15 S22 F28 L29 I53 C55 M70 F72L15-I25 HydrophobicContact CD1-CB 4.02Å; L15-I25 HydrophobicContact CD1-CG2 3.49Å; L15-I25 VanDerWaalsContact CD1-CG2 3.49Å; L15-I25 HydrophobicContact CD2-CB 4.39Å; L15-I25 HydrophobicContact CD2-CG2 4.43Å; S22-I25 PolarHBondContact O-N 3.48Å; I25-F28 WeakPolarHBondContact O-CB 3.31Å; I25-F28 PolarHBondContact O-N 3.35Å; I25-L29 PolarHBondContact O-N 3.4Å; I25-I53 HydrophobicContact CG1-CG2 4.29Å; I25-I53 HydrophobicContact CG2-CD1 4.05Å; I25-I53 HydrophobicContact CG2-CG1 4.38Å; I25-I53 HydrophobicContact CG2-CG2 4.01Å; I25-C55 HydrophobicContact CD1-CB 4.4Å; I25-M70 HydrophobicContact CD1-CB 3.43Å; I25-M70 VanDerWaalsContact CD1-CB 3.43Å; I25-F72 HydrophobicContact CB-CB 4.48Å; I25-F72 HydrophobicContact CG1-CB 3.6Å
26Y98Very high94.5Very high22 Ų2248.3 Ų48.39%0.08622%0.218CC..Hα-helixtrans-56.2-52.7172.9172.8-105000110.9E12 L15 Q16 L19 S22 L23 F28 L29 V30 P235E12-Y26 HydrophobicContact CG-CD2 4.16Å; E12-Y26 HydrophobicContact CG-CE2 3.9Å; L15-Y26 HydrophobicContact CB-CD2 4.43Å; Q16-Y26 HydrophobicContact CB-CD2 4.07Å; Q16-Y26 HydrophobicContact CB-CE2 3.73Å; Q16-Y26 HydrophobicContact CG-CE2 3.94Å; L19-Y26 HydrophobicContact CD1-CD1 4.39Å; L19-Y26 HydrophobicContact CD1-CE1 4.38Å; L19-Y26 HydrophobicContact CD2-CD1 4.09Å; L19-Y26 HydrophobicContact CD2-CG 4.27Å; S22-Y26 PolarHBondContact O-N 3.05Å; L23-Y26 HydrophobicContact CD1-CD1 4.24Å; Y26-F28 VanDerWaalsContact C-N 3.3Å; Y26-F28 PolarHBondContact O-N 3.32Å; Y26-L29 PolarHBondContact O-N 2.9Å; Y26-L29 VanDerWaalsContact O-N 3.13Å; Y26-V30 HydrophobicContact CD1-CG2 4.06Å; Y26-V30 HydrophobicContact CD2-CG2 3.96Å; Y26-V30 HydrophobicContact CE1-CG2 3.69Å; Y26-V30 HydrophobicContact CE2-CG2 3.57Å; Y26-V30 HydrophobicContact CG-CG2 4.19Å; Y26-V30 VanDerWaalsContact CZ-CG2 3.42Å; Y26-V30 WeakPolarHBondContact O-CB 3.33Å; Y26-V30 WeakPolarHBondContact O-CG2 3.42Å; Y26-V30 PolarHBondContact O-N 3.07Å; Y26-P235 HydrophobicContact CD1-CG 4.17Å; Y26-P235 HydrophobicContact CE1-CB 4.28Å; Y26-P235 HydrophobicContact CE1-CG 4.04Å
27G97.9Very high94.2Very high0 Ų045 Ų450%021%0.207CC..Hα-helixtrans-57.6-40.6177.300000112.8L23 V30 L31 Y200 C201L23-G27 PolarHBondContact O-N 2.82Å; G27-V30 PolarHBondContact O-N 3.44Å; G27-L31 WeakPolarHBondContact O-CB 3.28Å; G27-L31 PolarHBondContact O-N 3.05Å; G27-Y200 CarbonylContact C-O 3.6Å; G27-Y200 WeakPolarHBondContact CA-O 3.26Å; G27-C201 VanDerWaalsContact O-CB 3.29Å; G27-C201 WeakPolarHBondContact O-CB 3.31Å
28F97.7Very high94Very high1 Ų138.5 Ų38.50%0.00418%0.184CC..Hα-helixtrans-57.4-50.2173168.9-101.2000112.8K24 I25 Y26 L31 R32 Y40 V42 C55 M70 V199K24-F28 PolarHBondContact O-N 3.1Å; K24-F28 VanDerWaalsContact O-N 3.09Å; I25-F28 WeakPolarHBondContact O-CB 3.31Å; I25-F28 PolarHBondContact O-N 3.35Å; Y26-F28 VanDerWaalsContact C-N 3.3Å; Y26-F28 PolarHBondContact O-N 3.32Å; F28-L31 PolarHBondContact O-N 3.02Å; F28-R32 WeakPolarHBondContact O-CB 3.25Å; F28-R32 PolarHBondContact O-N 2.81Å; F28-Y40 HydrophobicContact CE2-CD1 4.09Å; F28-Y40 HydrophobicContact CE2-CD2 4.08Å; F28-Y40 AromaticContact CE2-CG 3.83Å; F28-Y40 HydrophobicContact CE2-CG 3.83Å; F28-Y40 HydrophobicContact CZ-CD1 4.16Å; F28-Y40 HydrophobicContact CZ-CD2 4.43Å; F28-Y40 AromaticContact CZ-CG 3.82Å; F28-Y40 HydrophobicContact CZ-CG 3.82Å; F28-V42 HydrophobicContact CE1-CG2 3.88Å; F28-C55 HydrophobicContact CD1-CB 4.07Å; F28-C55 HydrophobicContact CE1-CB 3.95Å; F28-C55 HydrophobicContact CZ-CB 4.42Å; F28-M70 HydrophobicContact CB-CE 4.37Å; F28-M70 HydrophobicContact CB-SD 4.27Å; F28-M70 HydrophobicContact CD2-CE 3.64Å; F28-M70 HydrophobicContact CD2-SD 4.47Å; F28-M70 HydrophobicContact CE2-CE 4.06Å; F28-M70 HydrophobicContact CG-CE 3.92Å; F28-M70 HydrophobicContact CG-SD 4.46Å; F28-V199 HydrophobicContact CD2-CG2 3.92Å; F28-V199 WeakPolarHBondContact CD2-O 3.44Å; F28-V199 HydrophobicContact CE2-CG2 3.88Å
29L96.5Very high94Very high0 Ų038.1 Ų38.10%019%0.187CC..Hα-helixtrans-66.3-43.2179.7-64.5-174.8000111.9L8 A11 E12 L15 I25 Y26 L31 R32 N33L8-L29 HydrophobicContact CD2-CD2 3.91Å; A11-L29 HydrophobicContact CB-CD1 3.83Å; E12-L29 HydrophobicContact CB-CB 4.28Å; E12-L29 HydrophobicContact CB-CD1 4.32Å; L15-L29 HydrophobicContact CD1-CD1 3.66Å; I25-L29 PolarHBondContact O-N 3.4Å; Y26-L29 PolarHBondContact O-N 2.9Å; Y26-L29 VanDerWaalsContact O-N 3.13Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 2.89Å; L29-R32 PolarHBondContact O-N 2.71Å; L29-N33 VanDerWaalsContact O-CB 3.31Å; L29-N33 WeakPolarHBondContact O-CB 3.44Å; L29-N33 PolarHBondContact O-N 3.16Å; L29-N33 PolarHBondContact O-ND2 3.35Å
30V95.8Very high94Very high0 Ų035.9 Ų35.90%017%0.174CC..Hα-helixtrans-56.4-48.9177170.80000110.6E12 Y26 G27 R34 Y234E12-V30 HydrophobicContact CG-CG2 4.05Å; E12-V30 WeakPolarHBondContact OE1-CG2 3.3Å; Y26-V30 HydrophobicContact CD1-CG2 4.06Å; Y26-V30 HydrophobicContact CD2-CG2 3.96Å; Y26-V30 HydrophobicContact CE1-CG2 3.69Å; Y26-V30 HydrophobicContact CE2-CG2 3.57Å; Y26-V30 HydrophobicContact CG-CG2 4.19Å; Y26-V30 VanDerWaalsContact CZ-CG2 3.42Å; Y26-V30 WeakPolarHBondContact O-CB 3.33Å; Y26-V30 WeakPolarHBondContact O-CG2 3.42Å; Y26-V30 PolarHBondContact O-N 3.07Å; G27-V30 PolarHBondContact O-N 3.44Å; V30-R34 VanDerWaalsContact CA-NH1 3.31Å; V30-R34 WeakPolarHBondContact O-CD 3.26Å; V30-R34 PolarHBondContact O-NH1 3.05Å; V30-Y234 HydrophobicContact CG1-CD1 3.54Å; V30-Y234 HydrophobicContact CG1-CE1 4.06Å
31L95.8Very high94.1Very high1 Ų135.1 Ų35.11%0.00517%0.167CC..Hα-helixtrans-66.7-52.2179.4-176.262.5000110.8G27 F28 L29 N33 R34 V35 F179 T197 Y198 C201 Y234G27-L31 WeakPolarHBondContact O-CB 3.28Å; G27-L31 PolarHBondContact O-N 3.05Å; F28-L31 PolarHBondContact O-N 3.02Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L31 PolarHBondContact O-N 2.89Å; L31-N33 PolarHBondContact O-N 2.92Å; L31-R34 PolarHBondContact O-N 2.94Å; L31-V35 HydrophobicContact CD1-CG1 4.12Å; L31-V35 HydrophobicContact CD1-CG2 3.79Å; L31-V35 HydrophobicContact CG-CG2 3.84Å; L31-V35 WeakPolarHBondContact O-CG2 3.13Å; L31-V35 PolarHBondContact O-N 3.11Å; L31-V35 VanDerWaalsContact O-N 3.07Å; L31-F179 HydrophobicContact CD2-CD1 3.92Å; L31-F179 HydrophobicContact CD2-CD2 4.36Å; L31-F179 HydrophobicContact CD2-CE1 4.07Å; L31-F179 HydrophobicContact CD2-CE2 4.49Å; L31-F179 HydrophobicContact CD2-CG 4.09Å; L31-F179 HydrophobicContact CD2-CZ 4.34Å; L31-F179 HydrophobicContact CG-CD1 4.36Å; L31-F179 HydrophobicContact CG-CE1 4.49Å; L31-T197 HydrophobicContact CD2-CG2 4.18Å; L31-Y198 WeakPolarHBondContact CD2-O 3.33Å; L31-C201 HydrophobicContact CB-CB 4.05Å; L31-C201 HydrophobicContact CD2-CB 4.44Å; L31-Y234 HydrophobicContact CD1-CE1 4.1Å
32R92.3Very high94.2Very high54 Ų5430.9 Ų30.920%0.20415%0.147CC..Hα-helixtrans-53.4-38.9-179.2-177.2-167.5-179.9-77.41.9112.8E5 L8 F28 L29 R34 V35E5-R32 IonicContact OE1-CZ 3.81Å; E5-R32 IonicContact OE1-NH1 3.55Å; E5-R32 PolarHBondContact OE1-NH1 2.79Å; E5-R32 IonicContact OE1-NH2 2.74Å; E5-R32 PolarHBondContact OE1-NH2 2.86Å; E5-R32 IonicContact OE2-CZ 3.81Å; E5-R32 IonicContact OE2-NH1 2.98Å; E5-R32 PolarHBondContact OE2-NH1 2.93Å; E5-R32 IonicContact OE2-NH2 3.71Å; L8-R32 VanDerWaalsContact CD1-CZ 3.47Å; L8-R32 VanDerWaalsContact CD1-NH1 3.32Å; F28-R32 WeakPolarHBondContact O-CB 3.25Å; F28-R32 PolarHBondContact O-N 2.81Å; L29-R32 PolarHBondContact O-N 2.71Å; R32-R34 PolarHBondContact O-N 2.59Å; R32-V35 VanDerWaalsContact O-O 3.09Å
33N86.4Confident94.3Very high58 Ų5831.9 Ų31.931%0.3115%0.152SC..THydrogen-bonded Turntrans-71.8-11.6-178.4-70.7-15.8000113.4E12 L29 L31E12-N33 PolarHBondContact OE2-ND2 3.2Å; L29-N33 VanDerWaalsContact O-CB 3.31Å; L29-N33 WeakPolarHBondContact O-CB 3.44Å; L29-N33 PolarHBondContact O-N 3.16Å; L29-N33 PolarHBondContact O-ND2 3.35Å; L31-N33 PolarHBondContact O-N 2.92Å
34R88.9Confident94.4Very high111 Ų11132 Ų3242%0.41915%0.153SC..THydrogen-bonded Turntrans-116.5-20.5-174.7-67.7168.9177.383-9.7113.9E12 V30 L31 R32 Y234E12-R34 IonicContact OE1-NH1 2.84Å; V30-R34 VanDerWaalsContact CA-NH1 3.31Å; V30-R34 WeakPolarHBondContact O-CD 3.26Å; V30-R34 PolarHBondContact O-NH1 3.05Å; L31-R34 PolarHBondContact O-N 2.94Å; R32-R34 PolarHBondContact O-N 2.59Å; R34-Y234 HydrophobicContact CB-CE1 4.33Å; R34-Y234 VanDerWaalsContact CB-OH 3.31Å; R34-Y234 WeakPolarHBondContact CB-OH 3.16Å; R34-Y234 WeakPolarHBondContact CD-OH 3.45Å; R34-Y234 HydrophobicContact CG-CE1 4.43Å
35V91Very high94.4Very high36 Ų3633.9 Ų33.922%0.21816%0.164CC..SBendtrans-131.1156.3-178.1-52.80000111.9L31 R32 F179L31-V35 HydrophobicContact CD1-CG1 4.12Å; L31-V35 HydrophobicContact CD1-CG2 3.79Å; L31-V35 HydrophobicContact CG-CG2 3.84Å; L31-V35 WeakPolarHBondContact O-CG2 3.13Å; L31-V35 PolarHBondContact O-N 3.11Å; L31-V35 VanDerWaalsContact O-N 3.07Å; R32-V35 VanDerWaalsContact O-O 3.09Å; V35-F179 HydrophobicContact CG2-CD1 3.73Å; V35-F179 HydrophobicContact CG2-CE1 3.77Å
36K88.3Confident94.3Very high180 Ų18039.7 Ų39.778%0.78319%0.185SC*.  trans-68141.6166.6-68.1-176.9-179.8177.70108.6N178K36-N178 WeakPolarHBondContact O-CB 3.35Å
37S87.5Confident94.2Very high34 Ų3442.1 Ų42.124%0.23819%0.194CC..  trans-146.5163.8174.472.60000110.4
38D92Very high93.8Very high34 Ų3444.9 Ų44.918%0.18221%0.212CC..  trans-51.5146.8164.1-84.8-18.7000111.6K67 N174D38-K67 VanDerWaalsContact CG-NZ 3.27Å; D38-K67 WeakPolarHBondContact OD2-CE 3.47Å; D38-K67 IonicContact OD2-NZ 2.7Å; D38-K67 PolarHBondContact OD2-NZ 3.48Å; D38-N174 PolarHBondContact N-OD1 3Å
39P92.8Very high93.5Very high46 Ų4650.8 Ų50.830%0.29924%0.24SC..  trans-73135.3-172.528.2-34.8000112.3K58P39-K58 HydrophobicContact CB-CB 3.97Å; P39-K58 HydrophobicContact CB-CD 4.27Å; P39-K58 HydrophobicContact CG-CB 4.08Å; P39-K58 WeakPolarHBondContact O-CB 3.47Å; P39-K58 PolarHBondContact O-N 2.65Å
40Y95.8Very high93.5Very high22 Ų2251.2 Ų51.29%0.08624%0.242CC..EExtended strand (participates in β ladder)trans-124.8149.9173-88-107.2000110F28 C55 K56 P57 K67 D68 M70 V199F28-Y40 HydrophobicContact CE2-CD1 4.09Å; F28-Y40 HydrophobicContact CE2-CD2 4.08Å; F28-Y40 AromaticContact CE2-CG 3.83Å; F28-Y40 HydrophobicContact CE2-CG 3.83Å; F28-Y40 HydrophobicContact CZ-CD1 4.16Å; F28-Y40 HydrophobicContact CZ-CD2 4.43Å; F28-Y40 AromaticContact CZ-CG 3.82Å; F28-Y40 HydrophobicContact CZ-CG 3.82Å; Y40-C55 HydrophobicContact CD1-CB 4.46Å; Y40-K56 CarbonylContact C-O 3.56Å; Y40-K56 WeakPolarHBondContact CA-O 3.34Å; Y40-K56 WeakPolarHBondContact CD1-O 3.27Å; Y40-P57 HydrophobicContact CE1-CB 4.41Å; Y40-P57 HydrophobicContact CE1-CG 3.88Å; Y40-K67 WeakPolarHBondContact OH-CB 3.34Å; Y40-D68 WeakPolarHBondContact CE1-O 3.31Å; Y40-D68 PolarHBondContact OH-O 3.23Å; Y40-M70 HydrophobicContact CD1-CE 4.06Å; Y40-M70 HydrophobicContact CE1-CE 3.65Å; Y40-V199 HydrophobicContact CD2-CG2 4.44Å; Y40-V199 HydrophobicContact CE2-CG2 3.88Å
41I96Very high93.6Very high31 Ų3151.5 Ų51.516%0.15924%0.244CC..EExtended strand (participates in β ladder)trans-101.5131.9170.6-59.9174.4000107.1E2 L43 C55 K56 K58E2-I41 HydrophobicContact CG-CG2 3.91Å; I41-L43 HydrophobicContact CG2-CD1 4.48Å; I41-L43 HydrophobicContact CG2-CD2 3.65Å; I41-L43 HydrophobicContact CG2-CG 3.86Å; I41-C55 WeakPolarHBondContact O-CA 3.31Å; I41-K56 HydrophobicContact CB-CG 4.25Å; I41-K56 PolarHBondContact N-O 3.12Å; I41-K56 PolarHBondContact O-N 2.79Å; I41-K58 HydrophobicContact CD1-CB 4.38Å; I41-K58 HydrophobicContact CD1-CG 4.25Å; I41-K58 HydrophobicContact CG1-CB 4.15Å; I41-K58 HydrophobicContact CG1-CG 4.37Å
42V97.4Very high93.7Very high4 Ų451.5 Ų51.52%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-112.1115.2177.1-175.60000108.7E2 L3 L8 F28 I53 I54E2-V42 WeakPolarHBondContact CA-O 3.48Å; L3-V42 HydrophobicContact CB-CB 4.49Å; L3-V42 HydrophobicContact CD1-CG1 3.91Å; L3-V42 HydrophobicContact CG-CG1 4.27Å; L3-V42 PolarHBondContact N-O 3.39Å; L8-V42 HydrophobicContact CD2-CB 3.73Å; L8-V42 HydrophobicContact CD2-CG1 3.82Å; L8-V42 HydrophobicContact CD2-CG2 3.74Å; F28-V42 HydrophobicContact CE1-CG2 3.88Å; V42-I53 HydrophobicContact CG1-CD1 3.69Å; V42-I53 HydrophobicContact CG1-CG1 3.81Å; V42-I54 WeakPolarHBondContact CA-O 3.49Å
43L98.1Very high94Very high23 Ų2348.9 Ų48.912%0.1223%0.234CC..EExtended strand (participates in β ladder)trans-112.5139.9-176.8-58.6176.2000110.2M1 E2 I41 I53 I54 K56 V88M1-L43 CarbonylContact O-C 3.55Å; M1-L43 VanDerWaalsContact O-CA 3.27Å; M1-L43 WeakPolarHBondContact O-CA 3.45Å; E2-L43 HydrophobicContact CB-CD2 3.78Å; E2-L43 HydrophobicContact CG-CD2 4.34Å; I41-L43 HydrophobicContact CG2-CD1 4.48Å; I41-L43 HydrophobicContact CG2-CD2 3.65Å; I41-L43 HydrophobicContact CG2-CG 3.86Å; L43-I53 CarbonylContact O-C 3.56Å; L43-I53 VanDerWaalsContact O-CA 3.31Å; L43-I53 WeakPolarHBondContact O-CA 3.16Å; L43-I54 HydrophobicContact CB-CB 4.48Å; L43-I54 PolarHBondContact N-O 2.84Å; L43-I54 PolarHBondContact O-N 3.34Å; L43-K56 HydrophobicContact CD1-CD 4.26Å; L43-V88 HydrophobicContact CD1-CB 4.42Å; L43-V88 HydrophobicContact CD1-CG1 3.94Å; L43-V88 HydrophobicContact CD1-CG2 4.4Å
44V98.1Very high94.5Very high7 Ų746.2 Ų46.24%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-124154.6170.3-64.10000111.5M1 L3 R46 W47 F50 V52 I53M1-V44 HydrophobicContact CB-CG2 4.19Å; M1-V44 PolarHBondContact N-O 3.09Å; M1-V44 PolarHBondContact O-N 3.11Å; L3-V44 HydrophobicContact CD1-CG1 3.86Å; L3-V44 HydrophobicContact CD2-CB 4.5Å; L3-V44 HydrophobicContact CD2-CG1 4.1Å; L3-V44 HydrophobicContact CD2-CG2 3.59Å; L3-V44 HydrophobicContact CG-CG1 4.07Å; L3-V44 HydrophobicContact CG-CG2 4.32Å; V44-R46 VanDerWaalsContact CG2-O 3.27Å; V44-R46 WeakPolarHBondContact CG2-O 3.31Å; V44-W47 HydrophobicContact CG2-CB 4.49Å; V44-W47 HydrophobicContact CG2-CE3 4.25Å; V44-F50 HydrophobicContact CB-CB 3.81Å; V44-F50 HydrophobicContact CB-CG 4.39Å; V44-F50 HydrophobicContact CG1-CB 3.86Å; V44-F50 HydrophobicContact CG1-CD1 4.01Å; V44-F50 HydrophobicContact CG1-CG 3.87Å; V44-V52 VanDerWaalsContact CA-O 3.28Å; V44-V52 WeakPolarHBondContact CA-O 3.42Å; V44-I53 HydrophobicContact CG1-CB 4.09Å; V44-I53 HydrophobicContact CG1-CD1 4.14Å; V44-I53 HydrophobicContact CG1-CG1 3.93Å
45D97.4Very high94.9Very high46 Ų4640.9 Ų40.925%0.24620%0.199CC..SBendtrans-65.7-45.5171.965.5-56.2000111.2F50 S51 V52 I78D45-F50 WeakPolarHBondContact OD1-CA 3.19Å; D45-F50 WeakPolarHBondContact OD1-CB 3.17Å; D45-S51 PolarHBondContact OD1-N 3.33Å; D45-S51 PolarHBondContact OD2-N 3.24Å; D45-V52 HydrophobicContact CB-CB 4.35Å; D45-V52 PolarHBondContact N-O 3.37Å; D45-V52 PolarHBondContact OD1-N 3.32Å; D45-I78 HydrophobicContact CB-CG2 3.55Å
46R96Very high95.2Very high124 Ų12441.1 Ų41.147%0.46820%0.198SC..SBendtrans-147.7166.5-179.772.4-164.9177.2-152.7-9.4111.3V44 Q49 F50 S51V44-R46 VanDerWaalsContact CG2-O 3.27Å; V44-R46 WeakPolarHBondContact CG2-O 3.31Å; R46-Q49 WeakPolarHBondContact CD-O 3.35Å; R46-Q49 WeakPolarHBondContact CG-O 3.19Å; R46-Q49 PolarHBondContact NE-O 3.2Å; R46-F50 WeakPolarHBondContact O-CB 3.42Å; R46-S51 PolarHBondContact NH2-OG 3.41Å
47W96.6Very high95.5Very high72 Ų7233.4 Ų33.427%0.27317%0.166SC..SBendtrans-140.5141.8-177.8-172.9-96000110.4M1 L3 Q7 V10 A11 V44 F50M1-W47 HydrophobicContact SD-CB 3.8Å; M1-W47 HydrophobicContact SD-CG 4.42Å; L3-W47 HydrophobicContact CD1-CE3 4.24Å; L3-W47 HydrophobicContact CD1-CH2 4.38Å; L3-W47 HydrophobicContact CD1-CZ3 3.67Å; L3-W47 HydrophobicContact CD2-CD2 3.91Å; L3-W47 HydrophobicContact CD2-CE3 3.31Å; L3-W47 HydrophobicContact CD2-CH2 4.4Å; L3-W47 HydrophobicContact CD2-CZ3 3.59Å; L3-W47 HydrophobicContact CG-CE3 4.44Å; L3-W47 HydrophobicContact CG-CZ3 4.3Å; Q7-W47 HydrophobicContact CB-CH2 3.7Å; Q7-W47 HydrophobicContact CB-CZ2 3.46Å; Q7-W47 VanDerWaalsContact CB-CZ2 3.46Å; Q7-W47 HydrophobicContact CB-CZ3 4.35Å; Q7-W47 HydrophobicContact CG-CD2 4.4Å; Q7-W47 HydrophobicContact CG-CH2 4.28Å; Q7-W47 HydrophobicContact CG-CZ2 3.54Å; Q7-W47 VanDerWaalsContact NE2-NE1 3.1Å; Q7-W47 WeakPolarHBondContact O-CH2 3.48Å; V10-W47 HydrophobicContact CB-CH2 3.96Å; V10-W47 HydrophobicContact CB-CZ2 3.97Å; V10-W47 HydrophobicContact CG1-CH2 4.09Å; V10-W47 HydrophobicContact CG1-CZ2 4.05Å; A11-W47 HydrophobicContact CB-CH2 4.29Å; A11-W47 HydrophobicContact CB-CZ3 4.27Å; V44-W47 HydrophobicContact CG2-CB 4.49Å; V44-W47 HydrophobicContact CG2-CE3 4.25Å; W47-F50 HydrophobicContact CE3-CD1 4.44Å; W47-F50 HydrophobicContact CZ3-CD1 4.19Å; W47-F50 HydrophobicContact CZ3-CE1 4.35Å
48P89.8Confident95.8Very high58 Ų5836.5 Ų36.538%0.37718%0.175SC..SBendcis-84.8-24.64.728-26.8000116.2F50P48-F50 PolarHBondContact O-N 3.2Å
49Q91.6Very high95.9Very high125 Ų12540 Ų4058%0.58419%0.186SC*.SBendtrans-88.399177.1-66.976.32600111.1R46R46-Q49 WeakPolarHBondContact CD-O 3.35Å; R46-Q49 WeakPolarHBondContact CG-O 3.19Å; R46-Q49 PolarHBondContact NE-O 3.2Å
50F96.1Very high96Very high10 Ų1044.4 Ų44.44%0.04420%0.201CC..  trans-87.8151.3177.954.5-90.5000112.5A11 E14 L15 V44 D45 R46 W47 P48 I53 F72A11-F50 HydrophobicContact CB-CE1 4.15Å; E14-F50 HydrophobicContact CB-CE1 4.33Å; E14-F50 HydrophobicContact CB-CZ 4.39Å; L15-F50 HydrophobicContact CD2-CE2 3.91Å; L15-F50 HydrophobicContact CD2-CZ 3.97Å; L15-F50 HydrophobicContact CG-CE2 4.42Å; L15-F50 HydrophobicContact CG-CZ 3.96Å; V44-F50 HydrophobicContact CB-CB 3.81Å; V44-F50 HydrophobicContact CB-CG 4.39Å; V44-F50 HydrophobicContact CG1-CB 3.86Å; V44-F50 HydrophobicContact CG1-CD1 4.01Å; V44-F50 HydrophobicContact CG1-CG 3.87Å; D45-F50 WeakPolarHBondContact OD1-CA 3.19Å; D45-F50 WeakPolarHBondContact OD1-CB 3.17Å; R46-F50 WeakPolarHBondContact O-CB 3.42Å; W47-F50 HydrophobicContact CE3-CD1 4.44Å; W47-F50 HydrophobicContact CZ3-CD1 4.19Å; W47-F50 HydrophobicContact CZ3-CE1 4.35Å; P48-F50 PolarHBondContact O-N 3.2Å; F50-I53 HydrophobicContact CD2-CB 3.91Å; F50-I53 HydrophobicContact CD2-CG2 4.14Å; F50-I53 HydrophobicContact CE2-CB 3.94Å; F50-I53 HydrophobicContact CE2-CD1 4.39Å; F50-I53 HydrophobicContact CE2-CG2 3.78Å; F50-I53 HydrophobicContact CZ-CD1 4.32Å; F50-F72 HydrophobicContact CE2-CD1 4.46Å
51S96.8Very high95.9Very high5 Ų548 Ų484%0.03522%0.218CC..SBendtrans-101.5-24.4167.6-86.40000112.6D45 R46 A73 N74D45-S51 PolarHBondContact OD1-N 3.33Å; D45-S51 PolarHBondContact OD2-N 3.24Å; R46-S51 PolarHBondContact NH2-OG 3.41Å; S51-A73 CarbonylContact O-C 3.52Å; S51-A73 VanDerWaalsContact O-CA 3.26Å; S51-A73 WeakPolarHBondContact O-CA 3.48Å; S51-N74 WeakPolarHBondContact CA-OD1 3.34Å; S51-N74 WeakPolarHBondContact CB-OD1 3.39Å; S51-N74 PolarHBondContact O-N 2.88Å; S51-N74 PolarHBondContact O-OD1 3.31Å; S51-N74 PolarHBondContact OG-OD1 3.35Å
52V98.1Very high95.8Very high1 Ų152.4 Ų52.41%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-132.7132.2178.3179.40000108.9V44 D45 I54 V71 F72 A73 I78 L79 T82V44-V52 VanDerWaalsContact CA-O 3.28Å; V44-V52 WeakPolarHBondContact CA-O 3.42Å; D45-V52 HydrophobicContact CB-CB 4.35Å; D45-V52 PolarHBondContact N-O 3.37Å; D45-V52 PolarHBondContact OD1-N 3.32Å; V52-I54 HydrophobicContact CG1-CD1 4.24Å; V52-I54 HydrophobicContact CG1-CG1 4.02Å; V52-V71 HydrophobicContact CG1-CG1 4.42Å; V52-F72 WeakPolarHBondContact CA-O 3.5Å; V52-A73 HydrophobicContact CG2-CB 4.02Å; V52-I78 HydrophobicContact CB-CG2 4.47Å; V52-I78 HydrophobicContact CG2-CB 4.23Å; V52-I78 HydrophobicContact CG2-CG2 3.75Å; V52-L79 HydrophobicContact CG1-CD1 4.18Å; V52-L79 HydrophobicContact CG2-CB 4.05Å; V52-T82 HydrophobicContact CG1-CG2 4.16Å
53I98.3Very high95.6Very high0 Ų052.9 Ų52.90%024%0.239CC..EExtended strand (participates in β ladder)trans-128.9130.5169.8-174.5168.6000109.6L3 L15 I25 V42 L43 V44 F50 V71 F72L3-I53 HydrophobicContact CD1-CD1 4.42Å; L15-I53 HydrophobicContact CD1-CD1 4.39Å; L15-I53 HydrophobicContact CD2-CG2 4.24Å; I25-I53 HydrophobicContact CG1-CG2 4.29Å; I25-I53 HydrophobicContact CG2-CD1 4.05Å; I25-I53 HydrophobicContact CG2-CG1 4.38Å; I25-I53 HydrophobicContact CG2-CG2 4.01Å; V42-I53 HydrophobicContact CG1-CD1 3.69Å; V42-I53 HydrophobicContact CG1-CG1 3.81Å; L43-I53 CarbonylContact O-C 3.56Å; L43-I53 VanDerWaalsContact O-CA 3.31Å; L43-I53 WeakPolarHBondContact O-CA 3.16Å; V44-I53 HydrophobicContact CG1-CB 4.09Å; V44-I53 HydrophobicContact CG1-CD1 4.14Å; V44-I53 HydrophobicContact CG1-CG1 3.93Å; F50-I53 HydrophobicContact CD2-CB 3.91Å; F50-I53 HydrophobicContact CD2-CG2 4.14Å; F50-I53 HydrophobicContact CE2-CB 3.94Å; F50-I53 HydrophobicContact CE2-CD1 4.39Å; F50-I53 HydrophobicContact CE2-CG2 3.78Å; F50-I53 HydrophobicContact CZ-CD1 4.32Å; I53-V71 WeakPolarHBondContact O-CA 3.43Å; I53-F72 HydrophobicContact CG2-CB 3.69Å; I53-F72 HydrophobicContact CG2-CD1 3.95Å; I53-F72 HydrophobicContact CG2-CG 4.28Å; I53-F72 PolarHBondContact N-O 2.87Å; I53-F72 PolarHBondContact O-N 2.61Å
54I98.3Very high95.5Very high1 Ų151.8 Ų51.81%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-122.5120.4-178.7-61.3177000108.4V42 L43 V52 K56 T69 M70 V71 T82 V88V42-I54 WeakPolarHBondContact CA-O 3.49Å; L43-I54 HydrophobicContact CB-CB 4.48Å; L43-I54 PolarHBondContact N-O 2.84Å; L43-I54 PolarHBondContact O-N 3.34Å; V52-I54 HydrophobicContact CG1-CD1 4.24Å; V52-I54 HydrophobicContact CG1-CG1 4.02Å; I54-K56 HydrophobicContact CG2-CB 4.37Å; I54-T69 HydrophobicContact CG2-CG2 3.83Å; I54-M70 WeakPolarHBondContact CA-O 3.39Å; I54-V71 HydrophobicContact CG1-CB 4.46Å; I54-V71 HydrophobicContact CG1-CG1 3.99Å; I54-V71 HydrophobicContact CG1-CG2 4.01Å; I54-V71 HydrophobicContact CG2-CG2 4.34Å; I54-T82 HydrophobicContact CD1-CG2 3.57Å; I54-V88 HydrophobicContact CD1-CG1 3.58Å
55C97.6Very high95.2Very high0 Ų053 Ų530%024%0.24CC..EExtended strand (participates in β ladder)trans-105108.2171.4-59.50000108.1I25 F28 Y40 I41 T69 M70I25-C55 HydrophobicContact CD1-CB 4.4Å; F28-C55 HydrophobicContact CD1-CB 4.07Å; F28-C55 HydrophobicContact CE1-CB 3.95Å; F28-C55 HydrophobicContact CZ-CB 4.42Å; Y40-C55 HydrophobicContact CD1-CB 4.46Å; I41-C55 WeakPolarHBondContact O-CA 3.31Å; C55-T69 WeakPolarHBondContact O-CA 3.42Å; C55-M70 HydrophobicContact CB-CB 4.38Å; C55-M70 HydrophobicContact CB-CE 3.65Å; C55-M70 PolarHBondContact N-O 2.73Å; C55-M70 PolarHBondContact O-N 3.27Å
56K96Very high95.1Very high41 Ų4152 Ų5218%0.17823%0.233CC..EExtended strand (participates in β ladder)trans-120.5147.2-178.672-174.9-168.4-175.40112Y40 I41 L43 I54 T69 S87 V88Y40-K56 CarbonylContact C-O 3.56Å; Y40-K56 WeakPolarHBondContact CA-O 3.34Å; Y40-K56 WeakPolarHBondContact CD1-O 3.27Å; I41-K56 HydrophobicContact CB-CG 4.25Å; I41-K56 PolarHBondContact N-O 3.12Å; I41-K56 PolarHBondContact O-N 2.79Å; L43-K56 HydrophobicContact CD1-CD 4.26Å; I54-K56 HydrophobicContact CG2-CB 4.37Å; K56-T69 HydrophobicContact CB-CG2 3.89Å; K56-S87 PolarHBondContact NZ-O 3.32Å; K56-V88 PolarHBondContact NZ-O 3.31Å
57P95.1Very high95Very high17 Ų1746.3 Ų46.311%0.1121%0.212CC..EExtended strand (participates in β ladder)trans-59.2139.8177-20.130.6000111.4Y40 Y59 D64 K67Y40-P57 HydrophobicContact CE1-CB 4.41Å; Y40-P57 HydrophobicContact CE1-CG 3.88Å; P57-Y59 PolarHBondContact O-N 2.88Å; P57-D64 WeakPolarHBondContact CB-O 3.37Å; P57-K67 HydrophobicContact CB-CB 4.08Å; P57-K67 HydrophobicContact CB-CD 4.1Å; P57-K67 HydrophobicContact CG-CB 3.45Å; P57-K67 VanDerWaalsContact CG-CB 3.45Å; P57-K67 HydrophobicContact CG-CD 4.37Å; P57-K67 WeakPolarHBondContact CG-O 3.44Å
58K94.8Very high95Very high99 Ų9943.7 Ų43.743%0.4320%0.203SC..  trans-73.6109.5171.1-175.6166.8-174.7163.60109.1P39 I41 K60P39-K58 HydrophobicContact CB-CB 3.97Å; P39-K58 HydrophobicContact CB-CD 4.27Å; P39-K58 HydrophobicContact CG-CB 4.08Å; P39-K58 WeakPolarHBondContact O-CB 3.47Å; P39-K58 PolarHBondContact O-N 2.65Å; I41-K58 HydrophobicContact CD1-CB 4.38Å; I41-K58 HydrophobicContact CD1-CG 4.25Å; I41-K58 HydrophobicContact CG1-CB 4.15Å; I41-K58 HydrophobicContact CG1-CG 4.37Å; K58-K60 PolarHBondContact O-N 2.77Å; K58-K60 VanDerWaalsContact O-N 3.17Å
59Y94.1Very high95.3Very high109 Ų10941.3 Ų41.343%0.42719%0.187SC..  trans-65113.9-179.7-177.1-97.7000111.6P57 L65P57-Y59 PolarHBondContact O-N 2.88Å; Y59-L65 HydrophobicContact CD2-CD1 4.37Å; Y59-L65 HydrophobicContact CD2-CD2 3.55Å; Y59-L65 HydrophobicContact CD2-CG 3.82Å; Y59-L65 HydrophobicContact CE2-CD1 3.85Å; Y59-L65 HydrophobicContact CE2-CD2 3.91Å; Y59-L65 HydrophobicContact CE2-CG 3.75Å
60K94.1Very high95.6Very high137 Ų13735.3 Ų35.360%0.59616%0.16SC*.SBendtrans-119.6-30169.3-64.6-177179.8-178.50112K58 D64K58-K60 PolarHBondContact O-N 2.77Å; K58-K60 VanDerWaalsContact O-N 3.17Å; K60-D64 PolarHBondContact N-OD2 2.7Å; K60-D64 VanDerWaalsContact N-OD2 3.15Å
61Q93.8Very high95.7Very high99 Ų9935.1 Ų35.146%0.46316%0.159SC..SBendtrans-153.1166.5177.859-173.368.900110.3T63 D64Q61-T63 VanDerWaalsContact C-N 3.28Å; Q61-T63 PolarHBondContact NE2-OG1 3.18Å; Q61-T63 PolarHBondContact O-N 3.49Å; Q61-T63 VanDerWaalsContact O-N 3.16Å; Q61-D64 WeakPolarHBondContact CG-OD2 3.39Å; Q61-D64 PolarHBondContact N-OD2 3.46Å; Q61-D64 WeakPolarHBondContact O-CB 3.22Å; Q61-D64 PolarHBondContact O-N 3.39Å
62K93.2Very high95.7Very high122 Ų12235.7 Ų35.753%0.5316%0.161SC..G310 helixtrans-51.4-42.6-175.2-169.6-179-179.4-164.10113.5D64 L65 F272K62-D64 PolarHBondContact O-N 2.91Å; K62-D64 VanDerWaalsContact O-N 3.13Å; K62-L65 WeakPolarHBondContact O-CB 3.16Å; K62-L65 WeakPolarHBondContact O-CG 3.19Å; K62-L65 PolarHBondContact O-N 2.97Å; K62-F272 WeakPolarHBondContact CE-OXT 3.45Å; K62-F272 PolarHBondContact NZ-OXT 3Å
63T94.4Very high95.7Very high14 Ų1436 Ų369%0.08616%0.163CC..G310 helixtrans-66-14.2-178.756.50000114.7Q61 L65 F66 E166 R170Q61-T63 VanDerWaalsContact C-N 3.28Å; Q61-T63 PolarHBondContact NE2-OG1 3.18Å; Q61-T63 PolarHBondContact O-N 3.49Å; Q61-T63 VanDerWaalsContact O-N 3.16Å; T63-L65 PolarHBondContact O-N 3.41Å; T63-F66 PolarHBondContact O-N 2.94Å; T63-E166 HydrophobicContact CG2-CB 3.89Å; T63-R170 VanDerWaalsContact OG1-CD 3.22Å; T63-R170 WeakPolarHBondContact OG1-CD 3.31Å; T63-R170 PolarHBondContact OG1-NH1 3.04Å
64D94.3Very high95.5Very high1 Ų140 Ų401%0.00519%0.185CC..G310 helixtrans-68.1-24171.6-69.5-54.9000112.5P57 K60 Q61 K62 F66 K67 R170P57-D64 WeakPolarHBondContact CB-O 3.37Å; K60-D64 PolarHBondContact N-OD2 2.7Å; K60-D64 VanDerWaalsContact N-OD2 3.15Å; Q61-D64 WeakPolarHBondContact CG-OD2 3.39Å; Q61-D64 PolarHBondContact N-OD2 3.46Å; Q61-D64 WeakPolarHBondContact O-CB 3.22Å; Q61-D64 PolarHBondContact O-N 3.39Å; K62-D64 PolarHBondContact O-N 2.91Å; K62-D64 VanDerWaalsContact O-N 3.13Å; D64-F66 PolarHBondContact O-N 3.41Å; D64-K67 WeakPolarHBondContact O-CB 3.42Å; D64-K67 PolarHBondContact O-N 3.44Å; D64-K67 IonicContact OD1-NZ 2.69Å; D64-K67 PolarHBondContact OD1-NZ 3.48Å; D64-R170 IonicContact OD1-CZ 3.6Å; D64-R170 IonicContact OD1-NH1 2.62Å; D64-R170 PolarHBondContact OD1-NH1 2.94Å; D64-R170 IonicContact OD1-NH2 3.6Å; D64-R170 PolarHBondContact OD1-NH2 3.37Å; D64-R170 IonicContact OD2-CZ 3.52Å; D64-R170 IonicContact OD2-NH1 3.51Å; D64-R170 PolarHBondContact OD2-NH1 2.91Å; D64-R170 IonicContact OD2-NH2 2.77Å; D64-R170 PolarHBondContact OD2-NH2 3.13Å
65L93.6Very high95.5Very high32 Ų3242.7 Ų42.717%0.16820%0.199CC..G310 helixtrans-71.3-18.6179.8-59.2175.9000112.8Y59 K62 T63 K67 R93 Y94 F272Y59-L65 HydrophobicContact CD2-CD1 4.37Å; Y59-L65 HydrophobicContact CD2-CD2 3.55Å; Y59-L65 HydrophobicContact CD2-CG 3.82Å; Y59-L65 HydrophobicContact CE2-CD1 3.85Å; Y59-L65 HydrophobicContact CE2-CD2 3.91Å; Y59-L65 HydrophobicContact CE2-CG 3.75Å; K62-L65 WeakPolarHBondContact O-CB 3.16Å; K62-L65 WeakPolarHBondContact O-CG 3.19Å; K62-L65 PolarHBondContact O-N 2.97Å; T63-L65 PolarHBondContact O-N 3.41Å; L65-K67 PolarHBondContact O-N 2.92Å; L65-R93 HydrophobicContact CD1-CB 4.13Å; L65-Y94 HydrophobicContact CB-CD1 3.97Å; L65-Y94 VanDerWaalsContact O-CD1 3.23Å; L65-Y94 WeakPolarHBondContact O-CD1 3.44Å; L65-Y94 VanDerWaalsContact O-CE1 3.29Å; L65-Y94 WeakPolarHBondContact O-CE1 3.17Å; L65-F272 HydrophobicContact CB-CE2 4.23Å
66F94.5Very high95.5Very high24 Ų2447.7 Ų47.711%0.10522%0.223CC..G310 helixtrans-67.8-25175.4-167.4-90.6000112.4T63 D64 W160 F162 A168 M171 F272T63-F66 PolarHBondContact O-N 2.94Å; D64-F66 PolarHBondContact O-N 3.41Å; F66-W160 AromaticContact CE1-CH2 3.96Å; F66-W160 HydrophobicContact CE1-CH2 3.96Å; F66-W160 AromaticContact CE1-CZ3 3.78Å; F66-W160 HydrophobicContact CE1-CZ3 3.78Å; F66-W160 HydrophobicContact CZ-CH2 4.21Å; F66-W160 AromaticContact CZ-CZ3 3.92Å; F66-W160 HydrophobicContact CZ-CZ3 3.92Å; F66-F162 HydrophobicContact CZ-CB 4.33Å; F66-F162 WeakPolarHBondContact CZ-O 3.35Å; F66-A168 HydrophobicContact CE1-CB 3.83Å; F66-A168 HydrophobicContact CE2-CB 4.42Å; F66-A168 HydrophobicContact CZ-CB 3.77Å; F66-M171 HydrophobicContact CD1-CB 4.38Å; F66-M171 HydrophobicContact CD1-SD 4.18Å; F66-M171 HydrophobicContact CE1-CE 4.07Å; F66-M171 HydrophobicContact CE1-SD 4.23Å; F66-F272 HydrophobicContact CB-CE1 4.42Å; F66-F272 HydrophobicContact CB-CE2 3.8Å; F66-F272 HydrophobicContact CB-CZ 3.69Å; F66-F272 HydrophobicContact CD2-CD1 4.08Å; F66-F272 AromaticContact CD2-CE1 3.76Å; F66-F272 HydrophobicContact CD2-CE1 3.76Å; F66-F272 HydrophobicContact CD2-CE2 4.31Å; F66-F272 HydrophobicContact CD2-CG 4.48Å; F66-F272 AromaticContact CD2-CZ 3.89Å; F66-F272 HydrophobicContact CD2-CZ 3.89Å; F66-F272 HydrophobicContact CG-CZ 4.25Å
67K94.8Very high95.6Very high5 Ų549.2 Ų49.22%0.02224%0.243CC..SBendtrans-75147.8-178-64166.2-177.4168.90110.5D38 Y40 P57 D64 L65 T69 M171D38-K67 VanDerWaalsContact CG-NZ 3.27Å; D38-K67 WeakPolarHBondContact OD2-CE 3.47Å; D38-K67 IonicContact OD2-NZ 2.7Å; D38-K67 PolarHBondContact OD2-NZ 3.48Å; Y40-K67 WeakPolarHBondContact OH-CB 3.34Å; P57-K67 HydrophobicContact CB-CB 4.08Å; P57-K67 HydrophobicContact CB-CD 4.1Å; P57-K67 HydrophobicContact CG-CB 3.45Å; P57-K67 VanDerWaalsContact CG-CB 3.45Å; P57-K67 HydrophobicContact CG-CD 4.37Å; P57-K67 WeakPolarHBondContact CG-O 3.44Å; D64-K67 WeakPolarHBondContact O-CB 3.42Å; D64-K67 PolarHBondContact O-N 3.44Å; D64-K67 IonicContact OD1-NZ 2.69Å; D64-K67 PolarHBondContact OD1-NZ 3.48Å; L65-K67 PolarHBondContact O-N 2.92Å; K67-T69 PolarHBondContact O-N 2.98Å; K67-M171 HydrophobicContact CG-CG 4.48Å
68D94.9Very high95.7Very high18 Ų1849.9 Ų49.910%0.09625%0.245CC..PPolyproline II helixtrans-64.8132.1-177.2-67.1-11.6000112.8Y40 M70 C96 Y200 W266Y40-D68 WeakPolarHBondContact CE1-O 3.31Å; Y40-D68 PolarHBondContact OH-O 3.23Å; D68-M70 HydrophobicContact CB-CG 4.3Å; D68-C96 PolarHBondContact OD1-SG 2.92Å; D68-Y200 WeakPolarHBondContact OD2-CE1 3.42Å; D68-W266 PolarHBondContact OD2-NE1 3.11Å
69T97.6Very high95.9Very high7 Ų745.1 Ų45.14%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-87.1122155.4-650000108.5I54 C55 K56 K67 V71 L95 C96 L97 G98I54-T69 HydrophobicContact CG2-CG2 3.83Å; C55-T69 WeakPolarHBondContact O-CA 3.42Å; K56-T69 HydrophobicContact CB-CG2 3.89Å; K67-T69 PolarHBondContact O-N 2.98Å; T69-V71 HydrophobicContact CG2-CG2 4.39Å; T69-L95 HydrophobicContact CG2-CD1 4.22Å; T69-L95 VanDerWaalsContact OG1-CD1 3.22Å; T69-L95 WeakPolarHBondContact OG1-CD1 3.35Å; T69-C96 WeakPolarHBondContact CB-O 3.28Å; T69-C96 PolarHBondContact N-O 3.27Å; T69-L97 HydrophobicContact CG2-CD1 4.43Å; T69-L97 WeakPolarHBondContact O-CA 3.22Å; T69-G98 PolarHBondContact O-N 3.22Å
70M97.1Very high96.1Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-108.6136.6-176.9-57.4162.7-81.500109.3K24 I25 F28 Y40 I54 C55 D68 V199 Y200K24-M70 HydrophobicContact CD-CG 4.3Å; K24-M70 HydrophobicContact CG-CG 4.5Å; K24-M70 HydrophobicContact CG-SD 4.38Å; I25-M70 HydrophobicContact CD1-CB 3.43Å; I25-M70 VanDerWaalsContact CD1-CB 3.43Å; F28-M70 HydrophobicContact CB-CE 4.37Å; F28-M70 HydrophobicContact CB-SD 4.27Å; F28-M70 HydrophobicContact CD2-CE 3.64Å; F28-M70 HydrophobicContact CD2-SD 4.47Å; F28-M70 HydrophobicContact CE2-CE 4.06Å; F28-M70 HydrophobicContact CG-CE 3.92Å; F28-M70 HydrophobicContact CG-SD 4.46Å; Y40-M70 HydrophobicContact CD1-CE 4.06Å; Y40-M70 HydrophobicContact CE1-CE 3.65Å; I54-M70 WeakPolarHBondContact CA-O 3.39Å; C55-M70 HydrophobicContact CB-CB 4.38Å; C55-M70 HydrophobicContact CB-CE 3.65Å; C55-M70 PolarHBondContact N-O 2.73Å; C55-M70 PolarHBondContact O-N 3.27Å; D68-M70 HydrophobicContact CB-CG 4.3Å; M70-V199 HydrophobicContact CE-CG1 4.15Å; M70-V199 HydrophobicContact SD-CG1 4.4Å; M70-Y200 HydrophobicContact CG-CD1 4.32Å; M70-Y200 HydrophobicContact SD-CD1 3.56Å; M70-Y200 VanDerWaalsContact SD-CD1 3.56Å; M70-Y200 HydrophobicContact SD-CG 4.01Å
71V97.9Very high96.3Very high6 Ų641.4 Ų41.44%0.03622%0.215CC..EExtended strand (participates in β ladder)trans-129.7138.1-178.7-175.30000109.8V52 I53 I54 T69 L79 L97 G98 I99V52-V71 HydrophobicContact CG1-CG1 4.42Å; I53-V71 WeakPolarHBondContact O-CA 3.43Å; I54-V71 HydrophobicContact CG1-CB 4.46Å; I54-V71 HydrophobicContact CG1-CG1 3.99Å; I54-V71 HydrophobicContact CG1-CG2 4.01Å; I54-V71 HydrophobicContact CG2-CG2 4.34Å; T69-V71 HydrophobicContact CG2-CG2 4.39Å; V71-L79 HydrophobicContact CG1-CD1 3.87Å; V71-L97 HydrophobicContact CG2-CD1 4.11Å; V71-L97 HydrophobicContact CG2-CD2 4.42Å; V71-L97 HydrophobicContact CG2-CG 4.25Å; V71-G98 PolarHBondContact N-O 3.41Å; V71-I99 HydrophobicContact CB-CB 4.4Å; V71-I99 HydrophobicContact CB-CD1 3.71Å; V71-I99 HydrophobicContact CB-CG1 4.08Å; V71-I99 HydrophobicContact CG1-CD1 3.6Å; V71-I99 HydrophobicContact CG1-CG1 4.42Å
72F97.4Very high96.4Very high16 Ų1637.7 Ų37.77%0.0720%0.199CC..EExtended strand (participates in β ladder)trans-122.3138162.6168.9-93.5000108.5L15 Q18 Q21 I25 F50 V52 I53 N74L15-F72 HydrophobicContact CD2-CD1 4.02Å; L15-F72 HydrophobicContact CD2-CE1 4.4Å; L15-F72 HydrophobicContact CD2-CG 4.38Å; Q18-F72 HydrophobicContact CB-CZ 4.25Å; Q21-F72 HydrophobicContact CB-CE2 4.06Å; Q21-F72 WeakPolarHBondContact O-CD2 3.42Å; I25-F72 HydrophobicContact CB-CB 4.48Å; I25-F72 HydrophobicContact CG1-CB 3.6Å; F50-F72 HydrophobicContact CE2-CD1 4.46Å; V52-F72 WeakPolarHBondContact CA-O 3.5Å; I53-F72 HydrophobicContact CG2-CB 3.69Å; I53-F72 HydrophobicContact CG2-CD1 3.95Å; I53-F72 HydrophobicContact CG2-CG 4.28Å; I53-F72 PolarHBondContact N-O 2.87Å; I53-F72 PolarHBondContact O-N 2.61Å; F72-N74 HydrophobicContact CZ-CB 4.48Å
73A97.3Very high96.7Very high7 Ų731.9 Ų31.96%0.05817%0.174CC..EExtended strand (participates in β ladder)trans-144.9145.117900000110.6S51 V52 L79 H103S51-A73 CarbonylContact O-C 3.52Å; S51-A73 VanDerWaalsContact O-CA 3.26Å; S51-A73 WeakPolarHBondContact O-CA 3.48Å; V52-A73 HydrophobicContact CG2-CB 4.02Å; A73-L79 HydrophobicContact CB-CB 4.06Å; A73-L79 HydrophobicContact CB-CD1 4.19Å; A73-L79 HydrophobicContact CB-CD2 3.9Å; A73-L79 HydrophobicContact CB-CG 4.26Å; A73-H103 PolarHBondContact O-CE1 3.11Å
74N95.5Very high96.8Very high84 Ų8436.8 Ų36.845%0.44919%0.191SC..SBendtrans-123.93.7169.364.520.3000113.2Q18 S51 F72Q18-N74 PolarHBondContact OE1-ND2 3.07Å; S51-N74 WeakPolarHBondContact CA-OD1 3.34Å; S51-N74 WeakPolarHBondContact CB-OD1 3.39Å; S51-N74 PolarHBondContact O-N 2.88Å; S51-N74 PolarHBondContact O-OD1 3.31Å; S51-N74 PolarHBondContact OG-OD1 3.35Å; F72-N74 HydrophobicContact CZ-CB 4.48Å
75D97.4Very high96.9Very high58 Ų5840.2 Ų40.231%0.3121%0.209SC..  trans-137114.6175.3-172.8-55.1000109.3A77 I78 L79D75-A77 WeakPolarHBondContact OD1-CB 3.27Å; D75-A77 PolarHBondContact OD1-N 3.25Å; D75-I78 HydrophobicContact CB-CB 4.13Å; D75-I78 HydrophobicContact CB-CD1 3.97Å; D75-I78 HydrophobicContact CB-CG1 4.16Å; D75-I78 PolarHBondContact OD1-N 2.86Å; D75-L79 WeakPolarHBondContact O-CB 3.43Å; D75-L79 PolarHBondContact O-N 2.94Å
76E97.8Very high96.8Very high106 Ų10643.5 Ų43.550%0.49524%0.235SC..Hα-helixtrans-70.2-31.6-175.6-68-172.5168.200113.3T80 L106E76-T80 WeakPolarHBondContact O-CB 3.49Å; E76-T80 PolarHBondContact O-N 3.17Å; E76-T80 PolarHBondContact O-OG1 3.11Å; E76-L106 HydrophobicContact CB-CD1 3.66Å; E76-L106 HydrophobicContact CG-CD1 3.72Å
77A98.1Very high96.6Very high72 Ų7246.5 Ų46.560%0.59526%0.258SS*.Hα-helixtrans-70.4-46179.400000110.1D75 L79 T80 E81D75-A77 WeakPolarHBondContact OD1-CB 3.27Å; D75-A77 PolarHBondContact OD1-N 3.25Å; A77-L79 VanDerWaalsContact C-N 3.34Å; A77-T80 PolarHBondContact O-N 3.45Å; A77-E81 PolarHBondContact O-N 3.03Å
78I98.1Very high96.6Very high31 Ų3147 Ų4716%0.15926%0.262CS..Hα-helixtrans-65.1-39.5175.8-62.1175.6000110.6D45 V52 D75 E81 T82D45-I78 HydrophobicContact CB-CG2 3.55Å; V52-I78 HydrophobicContact CB-CG2 4.47Å; V52-I78 HydrophobicContact CG2-CB 4.23Å; V52-I78 HydrophobicContact CG2-CG2 3.75Å; D75-I78 HydrophobicContact CB-CB 4.13Å; D75-I78 HydrophobicContact CB-CD1 3.97Å; D75-I78 HydrophobicContact CB-CG1 4.16Å; D75-I78 PolarHBondContact OD1-N 2.86Å; I78-E81 PolarHBondContact O-N 3.49Å; I78-T82 VanDerWaalsContact O-CB 3.26Å; I78-T82 WeakPolarHBondContact O-CB 3.46Å; I78-T82 PolarHBondContact O-N 2.89Å; I78-T82 PolarHBondContact O-OG1 2.93Å
79L98.4Very high96.6Very high0 Ų046.4 Ų46.40%026%0.259CS..Hα-helixtrans-58-49.5173.8175.560.9000110.9V52 V71 A73 D75 A77 E81 T82 L83 I99 H103 L106V52-L79 HydrophobicContact CG1-CD1 4.18Å; V52-L79 HydrophobicContact CG2-CB 4.05Å; V71-L79 HydrophobicContact CG1-CD1 3.87Å; A73-L79 HydrophobicContact CB-CB 4.06Å; A73-L79 HydrophobicContact CB-CD1 4.19Å; A73-L79 HydrophobicContact CB-CD2 3.9Å; A73-L79 HydrophobicContact CB-CG 4.26Å; D75-L79 WeakPolarHBondContact O-CB 3.43Å; D75-L79 PolarHBondContact O-N 2.94Å; A77-L79 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 3.24Å; L79-T82 WeakPolarHBondContact O-CB 3.49Å; L79-T82 PolarHBondContact O-N 3.36Å; L79-L83 HydrophobicContact CD1-CD1 3.9Å; L79-L83 HydrophobicContact CD1-CD2 4.41Å; L79-L83 HydrophobicContact CD1-CG 3.96Å; L79-L83 HydrophobicContact CG-CD1 3.83Å; L79-L83 HydrophobicContact CG-CG 4.34Å; L79-L83 WeakPolarHBondContact O-CB 3.43Å; L79-L83 WeakPolarHBondContact O-CG 3.28Å; L79-L83 PolarHBondContact O-N 2.92Å; L79-I99 HydrophobicContact CD2-CD1 4Å; L79-H103 HydrophobicContact CD2-CB 3.84Å; L79-L106 HydrophobicContact CD2-CD1 4.2Å
80T98Very high96.5Very high25 Ų2549.2 Ų49.215%0.15327%0.274CS..Hα-helixtrans-60.7-44.8-179.8-580000111.8E76 A77 L83 R84 V110E76-T80 WeakPolarHBondContact O-CB 3.49Å; E76-T80 PolarHBondContact O-N 3.17Å; E76-T80 PolarHBondContact O-OG1 3.11Å; A77-T80 PolarHBondContact O-N 3.45Å; T80-L83 PolarHBondContact O-N 3.18Å; T80-R84 WeakPolarHBondContact O-CG 3.35Å; T80-R84 PolarHBondContact O-N 2.74Å; T80-R84 VanDerWaalsContact O-N 3.14Å; T80-V110 HydrophobicContact CG2-CG2 3.95Å
81E97.6Very high96.5Very high142 Ų14250.1 Ų50.166%0.66428%0.277SS*.Hα-helixtrans-61.1-45175.2-174.5-179.5178.900111.7A77 I78 L79 L83 R84 N85A77-E81 PolarHBondContact O-N 3.03Å; I78-E81 PolarHBondContact O-N 3.49Å; L79-E81 PolarHBondContact O-N 3.24Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.5Å; E81-R84 PolarHBondContact O-N 2.97Å; E81-R84 VanDerWaalsContact O-N 3.15Å; E81-N85 PolarHBondContact O-N 3.33Å
82T97.7Very high96.3Very high21 Ų2154.4 Ų54.413%0.12931%0.307CS..Hα-helixtrans-60.9-42.5178.8-61.10000111.6V52 I54 I78 L79 R84 N85 V88V52-T82 HydrophobicContact CG1-CG2 4.16Å; I54-T82 HydrophobicContact CD1-CG2 3.57Å; I78-T82 VanDerWaalsContact O-CB 3.26Å; I78-T82 WeakPolarHBondContact O-CB 3.46Å; I78-T82 PolarHBondContact O-N 2.89Å; I78-T82 PolarHBondContact O-OG1 2.93Å; L79-T82 WeakPolarHBondContact O-CB 3.49Å; L79-T82 PolarHBondContact O-N 3.36Å; T82-R84 VanDerWaalsContact C-N 3.3Å; T82-R84 PolarHBondContact O-N 3.22Å; T82-N85 WeakPolarHBondContact O-CB 3.49Å; T82-N85 PolarHBondContact O-N 3.45Å; T82-V88 HydrophobicContact CG2-CG1 3.86Å; T82-V88 HydrophobicContact CG2-CG2 4.47Å
83L97.5Very high96.1Very high0 Ų058.2 Ų58.20%032%0.321CS..Hα-helixtrans-66.5-30177.5-69.1167.4000112.6L79 T80 E81 N85 I89 W91 V107 V110L79-L83 HydrophobicContact CD1-CD1 3.9Å; L79-L83 HydrophobicContact CD1-CD2 4.41Å; L79-L83 HydrophobicContact CD1-CG 3.96Å; L79-L83 HydrophobicContact CG-CD1 3.83Å; L79-L83 HydrophobicContact CG-CG 4.34Å; L79-L83 WeakPolarHBondContact O-CB 3.43Å; L79-L83 WeakPolarHBondContact O-CG 3.28Å; L79-L83 PolarHBondContact O-N 2.92Å; T80-L83 PolarHBondContact O-N 3.18Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 3.5Å; L83-N85 VanDerWaalsContact C-N 3.3Å; L83-I89 HydrophobicContact CD2-CG1 4.15Å; L83-W91 HydrophobicContact CB-CZ2 4.47Å; L83-W91 HydrophobicContact CD2-CZ2 4.5Å; L83-W91 PolarHBondContact O-NE1 3.27Å; L83-V107 HydrophobicContact CD1-CB 4.4Å; L83-V107 HydrophobicContact CD1-CG2 3.81Å; L83-V107 HydrophobicContact CD2-CG2 4.25Å; L83-V110 HydrophobicContact CB-CB 4.33Å; L83-V110 HydrophobicContact CB-CG1 3.95Å; L83-V110 HydrophobicContact CB-CG2 4.19Å; L83-V110 HydrophobicContact CD1-CG2 4.39Å
84R97.1Very high96Very high118 Ų11859 Ų5945%0.44532%0.323SS..Hα-helixtrans-74.5-20.7177.2-73.5-179.11771401.7113.2T80 E81 T82 S86 V110 E113 R114T80-R84 WeakPolarHBondContact O-CG 3.35Å; T80-R84 PolarHBondContact O-N 2.74Å; T80-R84 VanDerWaalsContact O-N 3.14Å; E81-R84 PolarHBondContact O-N 2.97Å; E81-R84 VanDerWaalsContact O-N 3.15Å; T82-R84 VanDerWaalsContact C-N 3.3Å; T82-R84 PolarHBondContact O-N 3.22Å; R84-S86 PolarHBondContact O-N 3.5Å; R84-V110 HydrophobicContact CG-CG1 3.93Å; R84-V110 HydrophobicContact CG-CG2 4.36Å; R84-E113 IonicContact CZ-OE1 2.96Å; R84-E113 IonicContact CZ-OE2 3.72Å; R84-E113 IonicContact NE-OE1 2.85Å; R84-E113 IonicContact NE-OE2 3.5Å; R84-E113 PolarHBondContact NE-OE2 3.37Å; R84-E113 IonicContact NH2-OE1 2.66Å; R84-E113 PolarHBondContact NH2-OE1 3.28Å; R84-E113 IonicContact NH2-OE2 2.78Å; R84-R114 VanDerWaalsContact CA-NH2 3.26Å; R84-R114 PolarHBondContact O-NH2 3.3Å; R84-R114 VanDerWaalsContact O-NH2 3.12Å
85N96Very high96Very high73 Ų7355.9 Ų55.939%0.3931%0.306SS..  trans-74.2113.1-179.9-175.6-24.3000111.5E81 T82 L83 S87 V88 I89E81-N85 PolarHBondContact O-N 3.33Å; T82-N85 WeakPolarHBondContact O-CB 3.49Å; T82-N85 PolarHBondContact O-N 3.45Å; L83-N85 VanDerWaalsContact C-N 3.3Å; N85-S87 VanDerWaalsContact C-N 3.26Å; N85-S87 PolarHBondContact O-N 2.87Å; N85-S87 WeakPolarHBondContact OD1-CB 3.45Å; N85-S87 PolarHBondContact OD1-N 3.42Å; N85-S87 PolarHBondContact OD1-OG 3.47Å; N85-V88 HydrophobicContact CB-CB 4.32Å; N85-V88 HydrophobicContact CB-CG2 3.98Å; N85-V88 WeakPolarHBondContact O-CA 3.33Å; N85-V88 WeakPolarHBondContact O-CB 3.23Å; N85-V88 PolarHBondContact O-N 2.89Å; N85-I89 PolarHBondContact O-N 3.07Å
86S91.8Very high96Very high101 Ų10153.5 Ų53.571%0.70629%0.293SS*.THydrogen-bonded Turntrans-67.2-19.7-177.255.60000115.1R84 V88 I89R84-S86 PolarHBondContact O-N 3.5Å; S86-V88 VanDerWaalsContact C-N 3.25Å; S86-I89 WeakPolarHBondContact CA-O 3.42Å
87S91.3Very high96Very high86 Ų8648.4 Ų48.460%0.60127%0.27SS*.THydrogen-bonded Turntrans-72.9-22.9170.872.60000112.3K56 N85K56-S87 PolarHBondContact NZ-O 3.32Å; N85-S87 VanDerWaalsContact C-N 3.26Å; N85-S87 PolarHBondContact O-N 2.87Å; N85-S87 WeakPolarHBondContact OD1-CB 3.45Å; N85-S87 PolarHBondContact OD1-N 3.42Å; N85-S87 PolarHBondContact OD1-OG 3.47Å
88V94Very high96Very high17 Ų1745 Ų4510%0.10324%0.241CC..THydrogen-bonded Turntrans-92.1-53.9-179.6-1770000110.1L43 I54 K56 T82 N85 S86L43-V88 HydrophobicContact CD1-CB 4.42Å; L43-V88 HydrophobicContact CD1-CG1 3.94Å; L43-V88 HydrophobicContact CD1-CG2 4.4Å; I54-V88 HydrophobicContact CD1-CG1 3.58Å; K56-V88 PolarHBondContact NZ-O 3.31Å; T82-V88 HydrophobicContact CG2-CG1 3.86Å; T82-V88 HydrophobicContact CG2-CG2 4.47Å; N85-V88 HydrophobicContact CB-CB 4.32Å; N85-V88 HydrophobicContact CB-CG2 3.98Å; N85-V88 WeakPolarHBondContact O-CA 3.33Å; N85-V88 WeakPolarHBondContact O-CB 3.23Å; N85-V88 PolarHBondContact O-N 2.89Å; S86-V88 VanDerWaalsContact C-N 3.25Å
89I95.3Very high95.9Very high4 Ų443.6 Ų43.62%0.02123%0.234CC..  trans-120.3117.4177.8-55.7-62000109.8L83 N85 S86 W91 L95L83-I89 HydrophobicContact CD2-CG1 4.15Å; N85-I89 PolarHBondContact O-N 3.07Å; S86-I89 WeakPolarHBondContact CA-O 3.42Å; I89-W91 HydrophobicContact CG2-CD2 3.74Å; I89-W91 VanDerWaalsContact CG2-CE2 3.47Å; I89-W91 HydrophobicContact CG2-CE3 4.31Å; I89-W91 HydrophobicContact CG2-CG 4.05Å; I89-W91 HydrophobicContact CG2-CH2 4.43Å; I89-W91 HydrophobicContact CG2-CZ2 3.87Å; I89-W91 PolarHBondContact O-N 3.17Å; I89-L95 HydrophobicContact CG2-CD2 3.83Å
90D95.1Very high95.9Very high67 Ų6744.7 Ų44.736%0.35824%0.241SC..  trans-88.892171.7-176.60.3000109.7S92 R93D90-S92 PolarHBondContact O-N 3.39Å; D90-S92 VanDerWaalsContact O-N 3.16Å; D90-S92 WeakPolarHBondContact OD1-CB 3.4Å; D90-S92 PolarHBondContact OD1-N 3.12Å; D90-S92 PolarHBondContact OD1-OG 3.47Å; D90-S92 PolarHBondContact OD2-OG 3.34Å; D90-R93 PolarHBondContact O-N 3.43Å; D90-R93 VanDerWaalsContact OD2-CD 3.28Å; D90-R93 WeakPolarHBondContact OD2-CD 3.31Å; D90-R93 IonicContact OD2-CZ 3.49Å; D90-R93 IonicContact OD2-NE 3.12Å; D90-R93 PolarHBondContact OD2-NE 3Å; D90-R93 IonicContact OD2-NH2 2.78Å
91W96.3Very high95.8Very high19 Ų1946.2 Ų46.27%0.07225%0.248CC..THydrogen-bonded Turntrans-67-6.6179.8-69.7103.5000114.5L83 I89 R93 L95 V107 V110 A111 R114 V116 F269 N270L83-W91 HydrophobicContact CB-CZ2 4.47Å; L83-W91 HydrophobicContact CD2-CZ2 4.5Å; L83-W91 PolarHBondContact O-NE1 3.27Å; I89-W91 HydrophobicContact CG2-CD2 3.74Å; I89-W91 VanDerWaalsContact CG2-CE2 3.47Å; I89-W91 HydrophobicContact CG2-CE3 4.31Å; I89-W91 HydrophobicContact CG2-CG 4.05Å; I89-W91 HydrophobicContact CG2-CH2 4.43Å; I89-W91 HydrophobicContact CG2-CZ2 3.87Å; I89-W91 PolarHBondContact O-N 3.17Å; W91-R93 VanDerWaalsContact C-N 3.32Å; W91-L95 HydrophobicContact CZ3-CD2 4.47Å; W91-V107 HydrophobicContact CH2-CG1 3.8Å; W91-V110 HydrophobicContact CZ2-CB 4.29Å; W91-V110 HydrophobicContact CZ2-CG1 3.78Å; W91-A111 HydrophobicContact CE3-CB 4.13Å; W91-A111 HydrophobicContact CH2-CB 3.9Å; W91-A111 HydrophobicContact CZ3-CB 3.52Å; W91-R114 VanDerWaalsContact CG-CD 3.45Å; W91-V116 HydrophobicContact CB-CG2 4.06Å; W91-V116 HydrophobicContact CE3-CB 4.4Å; W91-V116 HydrophobicContact CE3-CG1 4.19Å; W91-V116 HydrophobicContact CE3-CG2 4.26Å; W91-V116 WeakPolarHBondContact O-CG2 3.42Å; W91-F269 HydrophobicContact CZ3-CB 4.47Å; W91-F269 AromaticContact CZ3-CD1 3.73Å; W91-F269 HydrophobicContact CZ3-CD1 3.73Å; W91-F269 HydrophobicContact CZ3-CE1 4.11Å; W91-F269 HydrophobicContact CZ3-CG 4.04Å; W91-N270 PolarHBondContact O-ND2 2.72Å
92S94.6Very high95.7Very high95 Ų9543.5 Ų43.566%0.66424%0.242SC*.THydrogen-bonded Turntrans-82.4-9.4176.873.90000113.9D90D90-S92 PolarHBondContact O-N 3.39Å; D90-S92 VanDerWaalsContact O-N 3.16Å; D90-S92 WeakPolarHBondContact OD1-CB 3.4Å; D90-S92 PolarHBondContact OD1-N 3.12Å; D90-S92 PolarHBondContact OD1-OG 3.47Å; D90-S92 PolarHBondContact OD2-OG 3.34Å
93R93.8Very high95.7Very high96 Ų9643.9 Ų43.936%0.36224%0.243SC..SBendtrans-115.8164.6-176-61-179.4-169.5-165.5-4.9111.2L65 D90 W91 L95 N270L65-R93 HydrophobicContact CD1-CB 4.13Å; D90-R93 PolarHBondContact O-N 3.43Å; D90-R93 VanDerWaalsContact OD2-CD 3.28Å; D90-R93 WeakPolarHBondContact OD2-CD 3.31Å; D90-R93 IonicContact OD2-CZ 3.49Å; D90-R93 IonicContact OD2-NE 3.12Å; D90-R93 PolarHBondContact OD2-NE 3Å; D90-R93 IonicContact OD2-NH2 2.78Å; W91-R93 VanDerWaalsContact C-N 3.32Å; R93-L95 PolarHBondContact O-N 3.5Å; R93-N270 PolarHBondContact O-ND2 3.01Å
94Y95.6Very high95.7Very high25 Ų2543.9 Ų43.910%0.09824%0.243CC..  trans-57.1137.5166-178.7-97.6000111L65 C96 F269 N270 F272L65-Y94 HydrophobicContact CB-CD1 3.97Å; L65-Y94 VanDerWaalsContact O-CD1 3.23Å; L65-Y94 WeakPolarHBondContact O-CD1 3.44Å; L65-Y94 VanDerWaalsContact O-CE1 3.29Å; L65-Y94 WeakPolarHBondContact O-CE1 3.17Å; Y94-C96 HydrophobicContact CE1-CB 3.97Å; Y94-F269 VanDerWaalsContact CA-O 3.3Å; Y94-F269 WeakPolarHBondContact CA-O 3.48Å; Y94-F269 WeakPolarHBondContact CD2-O 3.38Å; Y94-N270 VanDerWaalsContact CD2-O 3.26Å; Y94-N270 WeakPolarHBondContact CD2-O 3.48Å; Y94-F272 HydrophobicContact CD1-CB 4.2Å; Y94-F272 AromaticContact CD1-CD2 3.43Å; Y94-F272 HydrophobicContact CD1-CD2 3.43Å; Y94-F272 VanDerWaalsContact CD1-CD2 3.43Å; Y94-F272 HydrophobicContact CD1-CE2 4.26Å; Y94-F272 HydrophobicContact CD1-CG 4.21Å; Y94-F272 HydrophobicContact CD2-CB 3.71Å; Y94-F272 HydrophobicContact CD2-CD2 4.43Å; Y94-F272 HydrophobicContact CE1-CB 4.3Å; Y94-F272 AromaticContact CE1-CD2 3.84Å; Y94-F272 HydrophobicContact CE1-CD2 3.84Å; Y94-F272 HydrophobicContact CE1-CG 4.35Å; Y94-F272 HydrophobicContact CE2-CB 3.85Å; Y94-F272 HydrophobicContact CG-CB 3.89Å; Y94-F272 AromaticContact CG-CD2 3.75Å; Y94-F272 HydrophobicContact CG-CD2 3.75Å; Y94-F272 HydrophobicContact CG-CG 4.31Å
95L94.7Very high95.7Very high18 Ų1842.7 Ų42.79%0.09424%0.242CC..EExtended strand (participates in β ladder)trans-141.2117.1176.5171.269.6000108.9T69 I89 W91 R93 L97 F269T69-L95 HydrophobicContact CG2-CD1 4.22Å; T69-L95 VanDerWaalsContact OG1-CD1 3.22Å; T69-L95 WeakPolarHBondContact OG1-CD1 3.35Å; I89-L95 HydrophobicContact CG2-CD2 3.83Å; W91-L95 HydrophobicContact CZ3-CD2 4.47Å; R93-L95 PolarHBondContact O-N 3.5Å; L95-L97 HydrophobicContact CD2-CB 4.25Å; L95-L97 HydrophobicContact CD2-CD1 4.06Å; L95-L97 HydrophobicContact CG-CB 4.1Å; L95-F269 HydrophobicContact CB-CB 4.26Å; L95-F269 HydrophobicContact CD2-CD2 4.33Å; L95-F269 HydrophobicContact CG-CD2 4.48Å; L95-F269 PolarHBondContact N-O 3.21Å; L95-F269 PolarHBondContact O-N 2.96Å
96C97.1Very high95.8Very high7 Ų741.1 Ų41.15%0.04723%0.234CC..EExtended strand (participates in β ladder)trans-86.7116.1160.9-174.90000108.1D68 T69 Y94D68-C96 PolarHBondContact OD1-SG 2.92Å; T69-C96 WeakPolarHBondContact CB-O 3.28Å; T69-C96 PolarHBondContact N-O 3.27Å; Y94-C96 HydrophobicContact CE1-CB 3.97Å
97L98Very high96.1Very high0 Ų036.3 Ų36.30%020%0.2CC..EExtended strand (participates in β ladder)trans-122.8127.4-180-172.2153.2000110.5T69 V71 L95 I99 M104 V107 W266 Y267 F269T69-L97 HydrophobicContact CG2-CD1 4.43Å; T69-L97 WeakPolarHBondContact O-CA 3.22Å; V71-L97 HydrophobicContact CG2-CD1 4.11Å; V71-L97 HydrophobicContact CG2-CD2 4.42Å; V71-L97 HydrophobicContact CG2-CG 4.25Å; L95-L97 HydrophobicContact CD2-CB 4.25Å; L95-L97 HydrophobicContact CD2-CD1 4.06Å; L95-L97 HydrophobicContact CG-CB 4.1Å; L97-I99 HydrophobicContact CD2-CB 3.93Å; L97-I99 HydrophobicContact CD2-CG2 3.69Å; L97-M104 HydrophobicContact CD2-CE 3.74Å; L97-M104 HydrophobicContact CD2-SD 4.37Å; L97-M104 WeakPolarHBondContact O-CE 3.48Å; L97-V107 HydrophobicContact CD1-CG1 4.09Å; L97-V107 HydrophobicContact CD2-CG1 4.3Å; L97-V107 HydrophobicContact CD2-CG2 4.16Å; L97-W266 WeakPolarHBondContact O-CA 3.42Å; L97-Y267 PolarHBondContact N-O 2.89Å; L97-Y267 PolarHBondContact O-N 2.89Å; L97-F269 HydrophobicContact CB-CD2 4.41Å; L97-F269 HydrophobicContact CB-CE2 4.1Å
98G97.4Very high96.5Very high0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-109.5128.4171.300000111.4K24 T69 V71 T265K24-G98 PolarHBondContact NZ-O 3.14Å; T69-G98 PolarHBondContact O-N 3.22Å; V71-G98 PolarHBondContact N-O 3.41Å; G98-T265 VanDerWaalsContact CA-O 3.32Å; G98-T265 WeakPolarHBondContact CA-O 3.44Å
99I97.6Very high96.7Very high1 Ų136.1 Ų36.11%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-153.6171.4172.8-162.9173.8000109.8V71 L79 L97 H103 M104 V107 E264 T265V71-I99 HydrophobicContact CB-CB 4.4Å; V71-I99 HydrophobicContact CB-CD1 3.71Å; V71-I99 HydrophobicContact CB-CG1 4.08Å; V71-I99 HydrophobicContact CG1-CD1 3.6Å; V71-I99 HydrophobicContact CG1-CG1 4.42Å; L79-I99 HydrophobicContact CD2-CD1 4Å; L97-I99 HydrophobicContact CD2-CB 3.93Å; L97-I99 HydrophobicContact CD2-CG2 3.69Å; I99-H103 HydrophobicContact CD1-CB 3.42Å; I99-H103 VanDerWaalsContact CD1-CB 3.42Å; I99-H103 HydrophobicContact CG1-CB 3.84Å; I99-H103 HydrophobicContact CG2-CB 4.36Å; I99-M104 HydrophobicContact CG2-CB 3.88Å; I99-M104 HydrophobicContact CG2-CE 3.7Å; I99-M104 HydrophobicContact CG2-SD 4.2Å; I99-V107 HydrophobicContact CG2-CG2 4.23Å; I99-E264 WeakPolarHBondContact CA-OE1 3.01Å; I99-E264 PolarHBondContact N-OE1 2.78Å; I99-T265 PolarHBondContact N-O 3.07Å; I99-T265 VanDerWaalsContact N-O 3.1Å; I99-T265 PolarHBondContact O-N 2.83Å
100T96.8Very high96.8Very high23 Ų2336 Ų3614%0.14120%0.196CC..EExtended strand (participates in β ladder)trans-56.5146.2171.9630000111.7H103 M104 Y262 R263 E264T100-H103 PolarHBondContact O-N 2.9Å; T100-H103 VanDerWaalsContact OG1-CG 3.31Å; T100-H103 PolarHBondContact OG1-ND1 3.32Å; T100-M104 PolarHBondContact O-N 2.99Å; T100-Y262 HydrophobicContact CG2-CD2 4.49Å; T100-Y262 HydrophobicContact CG2-CE2 3.57Å; T100-Y262 WeakPolarHBondContact CG2-OH 3.49Å; T100-R263 CarbonylContact C-O 3.5Å; T100-R263 WeakPolarHBondContact CA-O 3.38Å; T100-E264 PolarHBondContact N-OE1 2.78Å
101L96.1Very high96.9Very high57 Ų5732.8 Ų32.830%0.29818%0.179SC..Hα-helixtrans-54-45.3-177.6-179.965.4000113.7H103 M104 L123 R263 T265L101-H103 PolarHBondContact O-N 3.47Å; L101-M104 WeakPolarHBondContact O-CB 3.4Å; L101-M104 PolarHBondContact O-N 3.33Å; L101-L123 HydrophobicContact CB-CD1 4.45Å; L101-L123 HydrophobicContact CD1-CD1 4.12Å; L101-L123 HydrophobicContact CD2-CD1 4.21Å; L101-R263 HydrophobicContact CB-CB 4.04Å; L101-R263 HydrophobicContact CD2-CB 4.39Å; L101-R263 PolarHBondContact N-O 3.01Å; L101-T265 HydrophobicContact CD1-CG2 4.09Å
102P95.4Very high97Very high85 Ų8534.8 Ų34.855%0.55220%0.2SC*.Hα-helixtrans-61.4-43.6178.1-24.435.7000113.1M104 E105P102-M104 VanDerWaalsContact C-N 3.3Å; P102-M104 PolarHBondContact O-N 3.04Å; P102-E105 PolarHBondContact O-N 2.96Å
103H97.7Very high97.1Very high29 Ų2935.1 Ų35.113%0.13419%0.191CC..Hα-helixtrans-71.7-24.9179.4-63.1154000112.7A73 L79 I99 T100 L101 E105 L106 V107A73-H103 PolarHBondContact O-CE1 3.11Å; L79-H103 HydrophobicContact CD2-CB 3.84Å; I99-H103 HydrophobicContact CD1-CB 3.42Å; I99-H103 VanDerWaalsContact CD1-CB 3.42Å; I99-H103 HydrophobicContact CG1-CB 3.84Å; I99-H103 HydrophobicContact CG2-CB 4.36Å; T100-H103 PolarHBondContact O-N 2.9Å; T100-H103 VanDerWaalsContact OG1-CG 3.31Å; T100-H103 PolarHBondContact OG1-ND1 3.32Å; L101-H103 PolarHBondContact O-N 3.47Å; H103-E105 PolarHBondContact O-N 2.8Å; H103-L106 WeakPolarHBondContact O-CB 3.22Å; H103-L106 PolarHBondContact O-N 3.13Å; H103-L106 VanDerWaalsContact O-N 3.1Å; H103-V107 PolarHBondContact O-N 2.95Å
104M98Very high97.2Very high0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-61.9-31175.8-175.258.579.200112L97 I99 T100 L101 P102 L106 V107 K108 T265 Y267 F269L97-M104 HydrophobicContact CD2-CE 3.74Å; L97-M104 HydrophobicContact CD2-SD 4.37Å; L97-M104 WeakPolarHBondContact O-CE 3.48Å; I99-M104 HydrophobicContact CG2-CB 3.88Å; I99-M104 HydrophobicContact CG2-CE 3.7Å; I99-M104 HydrophobicContact CG2-SD 4.2Å; T100-M104 PolarHBondContact O-N 2.99Å; L101-M104 WeakPolarHBondContact O-CB 3.4Å; L101-M104 PolarHBondContact O-N 3.33Å; P102-M104 VanDerWaalsContact C-N 3.3Å; P102-M104 PolarHBondContact O-N 3.04Å; M104-L106 VanDerWaalsContact C-N 3.28Å; M104-L106 PolarHBondContact O-N 2.86Å; M104-V107 WeakPolarHBondContact O-CB 3.42Å; M104-V107 PolarHBondContact O-N 3.2Å; M104-V107 VanDerWaalsContact O-N 3.17Å; M104-V107 HydrophobicContact SD-CB 3.93Å; M104-V107 HydrophobicContact SD-CG1 4.16Å; M104-V107 HydrophobicContact SD-CG2 4.4Å; M104-K108 HydrophobicContact CG-CD 4.14Å; M104-K108 HydrophobicContact CG-CG 4.41Å; M104-K108 WeakPolarHBondContact O-CG 3.41Å; M104-K108 PolarHBondContact O-N 3.09Å; M104-T265 HydrophobicContact CB-CG2 3.54Å; M104-T265 HydrophobicContact CE-CG2 3.86Å; M104-T265 WeakPolarHBondContact CE-O 3.45Å; M104-T265 HydrophobicContact CG-CG2 3.63Å; M104-Y267 HydrophobicContact CE-CD2 3.67Å; M104-Y267 HydrophobicContact CE-CG 4.14Å; M104-Y267 HydrophobicContact CG-CD2 3.63Å; M104-Y267 HydrophobicContact CG-CE2 3.7Å; M104-Y267 HydrophobicContact CG-CG 4.28Å; M104-Y267 HydrophobicContact SD-CD2 3.79Å; M104-Y267 HydrophobicContact SD-CE2 4.45Å; M104-Y267 HydrophobicContact SD-CG 3.98Å; M104-F269 HydrophobicContact SD-CE2 4.32Å; M104-F269 HydrophobicContact SD-CZ 4Å
105E97.4Very high97.3Very high93 Ų9340.3 Ų40.344%0.43522%0.221SC..Hα-helixtrans-64.6-34175.3-64.7-53.812800112.2P102 H103 K108 A109P102-E105 PolarHBondContact O-N 2.96Å; H103-E105 PolarHBondContact O-N 2.8Å; E105-K108 PolarHBondContact O-N 2.87Å; E105-K108 IonicContact OE1-NZ 2.72Å; E105-K108 PolarHBondContact OE1-NZ 2.91Å; E105-K108 IonicContact OE2-NZ 3.73Å; E105-K108 PolarHBondContact OE2-NZ 3.47Å; E105-A109 WeakPolarHBondContact O-CB 3.29Å; E105-A109 PolarHBondContact O-N 3.08Å
106L98Very high97.4Very high41 Ų4140.1 Ų40.122%0.21522%0.221CC..Hα-helixtrans-67.4-42172.1-57.3174.7000111.4E76 L79 H103 M104 K108 A109 V110E76-L106 HydrophobicContact CB-CD1 3.66Å; E76-L106 HydrophobicContact CG-CD1 3.72Å; L79-L106 HydrophobicContact CD2-CD1 4.2Å; H103-L106 WeakPolarHBondContact O-CB 3.22Å; H103-L106 PolarHBondContact O-N 3.13Å; H103-L106 VanDerWaalsContact O-N 3.1Å; M104-L106 VanDerWaalsContact C-N 3.28Å; M104-L106 PolarHBondContact O-N 2.86Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 3.04Å; L106-A109 PolarHBondContact O-N 2.86Å; L106-V110 WeakPolarHBondContact O-CG2 3.32Å; L106-V110 PolarHBondContact O-N 3.04Å
107V98.3Very high97.5Very high0 Ų043.4 Ų43.40%024%0.242CC..Hα-helixtrans-59.3-46175.4-177.80000110.5L83 W91 L97 I99 H103 M104 V110 A111 F269L83-V107 HydrophobicContact CD1-CB 4.4Å; L83-V107 HydrophobicContact CD1-CG2 3.81Å; L83-V107 HydrophobicContact CD2-CG2 4.25Å; W91-V107 HydrophobicContact CH2-CG1 3.8Å; L97-V107 HydrophobicContact CD1-CG1 4.09Å; L97-V107 HydrophobicContact CD2-CG1 4.3Å; L97-V107 HydrophobicContact CD2-CG2 4.16Å; I99-V107 HydrophobicContact CG2-CG2 4.23Å; H103-V107 PolarHBondContact O-N 2.95Å; M104-V107 WeakPolarHBondContact O-CB 3.42Å; M104-V107 PolarHBondContact O-N 3.2Å; M104-V107 VanDerWaalsContact O-N 3.17Å; M104-V107 HydrophobicContact SD-CB 3.93Å; M104-V107 HydrophobicContact SD-CG1 4.16Å; M104-V107 HydrophobicContact SD-CG2 4.4Å; V107-V110 PolarHBondContact O-N 3.45Å; V107-A111 WeakPolarHBondContact O-CB 3.46Å; V107-A111 PolarHBondContact O-N 3.23Å; V107-F269 HydrophobicContact CB-CZ 4.42Å; V107-F269 HydrophobicContact CG1-CE1 4.14Å; V107-F269 HydrophobicContact CG1-CE2 3.92Å; V107-F269 HydrophobicContact CG1-CZ 3.46Å; V107-F269 VanDerWaalsContact CG1-CZ 3.46Å
108K98.4Very high97.4Very high46 Ų4646.3 Ų46.320%0.226%0.258CS..Hα-helixtrans-63.9-39.2177-72.4165.563.4-153.10112.3M104 E105 L106 A111 A112 Y267 F269M104-K108 HydrophobicContact CG-CD 4.14Å; M104-K108 HydrophobicContact CG-CG 4.41Å; M104-K108 WeakPolarHBondContact O-CG 3.41Å; M104-K108 PolarHBondContact O-N 3.09Å; E105-K108 PolarHBondContact O-N 2.87Å; E105-K108 IonicContact OE1-NZ 2.72Å; E105-K108 PolarHBondContact OE1-NZ 2.91Å; E105-K108 IonicContact OE2-NZ 3.73Å; E105-K108 PolarHBondContact OE2-NZ 3.47Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 3.04Å; K108-A111 PolarHBondContact O-N 2.96Å; K108-A112 WeakPolarHBondContact O-CB 3.07Å; K108-A112 PolarHBondContact O-N 3.06Å; K108-Y267 HydrophobicContact CD-CD1 4.46Å; K108-Y267 HydrophobicContact CD-CE1 3.92Å; K108-Y267 HydrophobicContact CG-CE1 4.5Å; K108-F269 HydrophobicContact CG-CZ 4.49Å
109A98.2Very high97.4Very high52 Ų5249.6 Ų49.643%0.4328%0.275SS..Hα-helixtrans-61.9-46.8175.600000111.5E105 L106 A111 A112 E113E105-A109 WeakPolarHBondContact O-CB 3.29Å; E105-A109 PolarHBondContact O-N 3.08Å; L106-A109 PolarHBondContact O-N 2.86Å; A109-A111 VanDerWaalsContact C-N 3.32Å; A109-A111 PolarHBondContact O-N 3.5Å; A109-A112 PolarHBondContact O-N 3.23Å; A109-E113 WeakPolarHBondContact O-CG 3.44Å; A109-E113 PolarHBondContact O-N 3.35Å
110V98.1Very high97.4Very high1 Ų154.2 Ų54.21%0.00630%0.297CS..Hα-helixtrans-65.2-35.6177.5176.70000112.1T80 L83 R84 W91 L106 V107 R114T80-V110 HydrophobicContact CG2-CG2 3.95Å; L83-V110 HydrophobicContact CB-CB 4.33Å; L83-V110 HydrophobicContact CB-CG1 3.95Å; L83-V110 HydrophobicContact CB-CG2 4.19Å; L83-V110 HydrophobicContact CD1-CG2 4.39Å; R84-V110 HydrophobicContact CG-CG1 3.93Å; R84-V110 HydrophobicContact CG-CG2 4.36Å; W91-V110 HydrophobicContact CZ2-CB 4.29Å; W91-V110 HydrophobicContact CZ2-CG1 3.78Å; L106-V110 WeakPolarHBondContact O-CG2 3.32Å; L106-V110 PolarHBondContact O-N 3.04Å; V107-V110 PolarHBondContact O-N 3.45Å; V110-R114 VanDerWaalsContact CG1-NH1 3.33Å; V110-R114 PolarHBondContact O-NH1 3.01Å; V110-R114 VanDerWaalsContact O-NH1 3.08Å
111A97.9Very high97.4Very high0 Ų055.4 Ų55.40%030%0.302CS..Hα-helixtrans-64.7-42.9172.900000111.7W91 V107 K108 A109 R114 N115 V116 F269W91-A111 HydrophobicContact CE3-CB 4.13Å; W91-A111 HydrophobicContact CH2-CB 3.9Å; W91-A111 HydrophobicContact CZ3-CB 3.52Å; V107-A111 WeakPolarHBondContact O-CB 3.46Å; V107-A111 PolarHBondContact O-N 3.23Å; K108-A111 PolarHBondContact O-N 2.96Å; A109-A111 VanDerWaalsContact C-N 3.32Å; A109-A111 PolarHBondContact O-N 3.5Å; A111-R114 CarbonylContact O-C 3.58Å; A111-R114 WeakPolarHBondContact O-CA 3.45Å; A111-R114 PolarHBondContact O-N 2.83Å; A111-N115 PolarHBondContact O-N 2.85Å; A111-V116 HydrophobicContact CB-CB 4.11Å; A111-V116 HydrophobicContact CB-CG1 4.44Å; A111-V116 PolarHBondContact O-N 2.78Å; A111-F269 HydrophobicContact CB-CD1 3.78Å; A111-F269 HydrophobicContact CB-CE1 3.67Å
112A97.9Very high97.5Very high62 Ų6253.5 Ų53.551%0.51229%0.293SS..Hα-helixtrans-64.6-38.9178.800000112.5K108 A109 R114 N115K108-A112 WeakPolarHBondContact O-CB 3.07Å; K108-A112 PolarHBondContact O-N 3.06Å; A109-A112 PolarHBondContact O-N 3.23Å; A112-R114 PolarHBondContact O-N 3.17Å; A112-N115 PolarHBondContact O-N 2.66Å
113E97.1Very high97.6Very high101 Ų10151.3 Ų51.347%0.47228%0.277SS..Hα-helixtrans-53.5-26.8171-69.1171.2-176.900112.7R84 A109R84-E113 IonicContact CZ-OE1 2.96Å; R84-E113 IonicContact CZ-OE2 3.72Å; R84-E113 IonicContact NE-OE1 2.85Å; R84-E113 IonicContact NE-OE2 3.5Å; R84-E113 PolarHBondContact NE-OE2 3.37Å; R84-E113 IonicContact NH2-OE1 2.66Å; R84-E113 PolarHBondContact NH2-OE1 3.28Å; R84-E113 IonicContact NH2-OE2 2.78Å; A109-E113 WeakPolarHBondContact O-CG 3.44Å; A109-E113 PolarHBondContact O-N 3.35Å
114R95.9Very high97.6Very high82 Ų8250.1 Ų50.131%0.30927%0.272SS..THydrogen-bonded Turntrans-104.56.7-177-69.7163.4178.362.38.6113.1R84 W91 V110 A111 A112 V116R84-R114 VanDerWaalsContact CA-NH2 3.26Å; R84-R114 PolarHBondContact O-NH2 3.3Å; R84-R114 VanDerWaalsContact O-NH2 3.12Å; W91-R114 VanDerWaalsContact CG-CD 3.45Å; V110-R114 VanDerWaalsContact CG1-NH1 3.33Å; V110-R114 PolarHBondContact O-NH1 3.01Å; V110-R114 VanDerWaalsContact O-NH1 3.08Å; A111-R114 CarbonylContact O-C 3.58Å; A111-R114 WeakPolarHBondContact O-CA 3.45Å; A111-R114 PolarHBondContact O-N 2.83Å; A112-R114 PolarHBondContact O-N 3.17Å; R114-V116 HydrophobicContact CB-CG2 3.98Å; R114-V116 PolarHBondContact O-N 3.32Å
115N96.9Very high97.6Very high149 Ų14951 Ų5180%0.79728%0.276SS*.THydrogen-bonded Turntrans56.433.6-175-54.1-71.9000113.6A111 A112A111-N115 PolarHBondContact O-N 2.85Å; A112-N115 PolarHBondContact O-N 2.66Å
116V98Very high97.7Very high13 Ų1347 Ų478%0.07926%0.257CS..  trans-89120.4178.9173.70000110W91 A111 R114 F269W91-V116 HydrophobicContact CB-CG2 4.06Å; W91-V116 HydrophobicContact CE3-CB 4.4Å; W91-V116 HydrophobicContact CE3-CG1 4.19Å; W91-V116 HydrophobicContact CE3-CG2 4.26Å; W91-V116 WeakPolarHBondContact O-CG2 3.42Å; A111-V116 HydrophobicContact CB-CB 4.11Å; A111-V116 HydrophobicContact CB-CG1 4.44Å; A111-V116 PolarHBondContact O-N 2.78Å; R114-V116 HydrophobicContact CB-CG2 3.98Å; R114-V116 PolarHBondContact O-N 3.32Å; V116-F269 HydrophobicContact CG1-CB 3.92Å; V116-F269 HydrophobicContact CG1-CD1 4.18Å
117P97.6Very high97.7Very high76 Ų7645.1 Ų45.149%0.49425%0.247SC..  trans-68.8150173.730.8-34.9000110.3F269 N270P117-F269 WeakPolarHBondContact O-CA 3.45Å; P117-N270 PolarHBondContact O-N 3.34Å
118N97.5Very high97.7Very high62 Ų6246.6 Ų46.633%0.33226%0.255SS..EExtended strand (participates in β ladder)trans-136.3150.7176.96588.3000110.9Y267 G268 F269N118-Y267 HydrophobicContact CB-CD1 4.12Å; N118-Y267 WeakPolarHBondContact OD1-CD1 3.44Å; N118-Y267 WeakPolarHBondContact OD1-CE1 3.44Å; N118-G268 CarbonylContact C-O 3.43Å; N118-G268 VanDerWaalsContact CA-O 3.25Å; N118-G268 WeakPolarHBondContact CA-O 3.39Å; N118-F269 HydrophobicContact CB-CD1 3.53Å; N118-F269 HydrophobicContact CB-CE1 3.52Å; N118-F269 HydrophobicContact CB-CG 4.29Å; N118-F269 HydrophobicContact CB-CZ 4.27Å
119N97Very high97.7Very high68 Ų6844.9 Ų44.936%0.36425%0.248SC..EExtended strand (participates in β ladder)trans-129140.217267.558.9000109.7L121 Y267 G268N119-L121 PolarHBondContact O-N 3.1Å; N119-L121 WeakPolarHBondContact OD1-CD2 3.17Å; N119-L121 WeakPolarHBondContact OD1-CG 3.38Å; N119-Y267 VanDerWaalsContact C-CD1 3.45Å; N119-Y267 CarbonylContact O-C 3.44Å; N119-Y267 WeakPolarHBondContact O-CA 3.19Å; N119-Y267 WeakPolarHBondContact O-CB 3.49Å; N119-Y267 WeakPolarHBondContact O-CD1 3.43Å; N119-G268 PolarHBondContact N-O 3.05Å; N119-G268 PolarHBondContact O-N 3.02Å
120Q97.5Very high97.6Very high99 Ų9949.1 Ų49.146%0.46326%0.259SS..EExtended strand (participates in β ladder)trans-78.9118.7172.7-171.2171.232.300108.8T265 Y267Q120-T265 PolarHBondContact NE2-OG1 3.08Å; Q120-Y267 HydrophobicContact CB-CD1 4.27Å; Q120-Y267 HydrophobicContact CB-CD2 4.41Å; Q120-Y267 HydrophobicContact CB-CE1 3.7Å; Q120-Y267 HydrophobicContact CB-CE2 3.88Å; Q120-Y267 VanDerWaalsContact CB-CZ 3.48Å; Q120-Y267 HydrophobicContact CG-CD2 4.2Å; Q120-Y267 HydrophobicContact CG-CE1 4.33Å; Q120-Y267 HydrophobicContact CG-CE2 3.57Å
121L96.6Very high97.4Very high48 Ų4852.3 Ų52.325%0.25128%0.276SS..EExtended strand (participates in β ladder)trans-88-41.9178.6-63.4173.1000111.2N119 F162 W266N119-L121 PolarHBondContact O-N 3.1Å; N119-L121 WeakPolarHBondContact OD1-CD2 3.17Å; N119-L121 WeakPolarHBondContact OD1-CG 3.38Å; L121-F162 HydrophobicContact CB-CE1 4.34Å; L121-F162 HydrophobicContact CB-CZ 4.3Å; L121-F162 HydrophobicContact CD2-CE1 4.3Å; L121-W266 HydrophobicContact CB-CB 4.22Å; L121-W266 WeakPolarHBondContact CB-O 3.25Å; L121-W266 PolarHBondContact N-O 3.06Å
122S97.2Very high97.3Very high16 Ų1654.5 Ų54.511%0.11229%0.289CS..EExtended strand (participates in β ladder)trans-159.4151.5179.660.80000112.6T265 W266S122-T265 VanDerWaalsContact O-CA 3.27Å; S122-T265 WeakPolarHBondContact O-CA 3.36Å; S122-T265 WeakPolarHBondContact O-CB 3.4Å; S122-T265 PolarHBondContact O-OG1 3.44Å; S122-W266 PolarHBondContact N-O 3.2Å; S122-W266 PolarHBondContact O-N 3.37Å; S122-W266 VanDerWaalsContact OG-CE3 3.28Å
123L98.2Very high97.2Very high39 Ų3955.8 Ų55.820%0.20429%0.294CS..EExtended strand (participates in β ladder)trans-127.9123.4167.3-179.257.6000107.2L101 E241 E242 R263L101-L123 HydrophobicContact CB-CD1 4.45Å; L101-L123 HydrophobicContact CD1-CD1 4.12Å; L101-L123 HydrophobicContact CD2-CD1 4.21Å; L123-E241 WeakPolarHBondContact O-CA 3.48Å; L123-E242 WeakPolarHBondContact CD2-OE2 3.44Å; L123-E242 HydrophobicContact CG-CG 4.21Å; L123-E242 WeakPolarHBondContact CG-OE2 3.38Å; L123-E242 PolarHBondContact O-N 2.96Å; L123-R263 HydrophobicContact CD1-CB 3.83Å; L123-R263 HydrophobicContact CD1-CG 4.4Å
124C98.5Very high97.1Very high5 Ų555.6 Ų55.63%0.03429%0.292CS..EExtended strand (participates in β ladder)trans-130.6142.2-164.3-630000113F239 I240 R263 E264 W266C124-F239 HydrophobicContact CB-CB 3.91Å; C124-F239 HydrophobicContact CB-CD1 4.41Å; C124-I240 CarbonylContact C-O 3.48Å; C124-I240 WeakPolarHBondContact CA-O 3.35Å; C124-R263 WeakPolarHBondContact O-CD 3.38Å; C124-E264 PolarHBondContact N-O 2.94Å; C124-E264 PolarHBondContact O-N 3.4Å; C124-E264 VanDerWaalsContact O-N 3.12Å; C124-W266 HydrophobicContact CB-CZ3 4.02Å
125H98.4Very high97.1Very high19 Ų1952.6 Ų52.69%0.08828%0.282CS..EExtended strand (participates in β ladder)trans-64.9138.4155.9-58.1-85.5000109.8M127 F239 I240 Y248 E258 R263H125-M127 HydrophobicContact CB-CG 4.31Å; H125-F239 VanDerWaalsContact O-CA 3.31Å; H125-F239 WeakPolarHBondContact O-CA 3.34Å; H125-I240 PolarHBondContact CD2-O 3.05Å; H125-I240 PolarHBondContact N-O 2.58Å; H125-I240 PolarHBondContact O-N 3.44Å; H125-Y248 HydrophobicContact CB-CD2 4.37Å; H125-Y248 AromaticContact CD2-CD2 3.85Å; H125-Y248 AromaticContact CG-CD2 3.88Å; H125-Y248 AromaticContact ND1-CE2 3.8Å; H125-E258 IonicContact CE1-OE2 3.84Å; H125-E258 IonicContact CG-OE2 3.65Å; H125-E258 IonicContact ND1-OE1 3.55Å; H125-E258 IonicContact ND1-OE2 3.89Å; H125-E258 PolarHBondContact ND1-OE2 3.36Å; H125-R263 PolarHBondContact CE1-NH2 3.02Å; H125-R263 VanDerWaalsContact ND1-CZ 3.28Å; H125-R263 PolarHBondContact ND1-NH1 3.26Å; H125-R263 PolarHBondContact ND1-NH2 3.46Å
126M98.3Very high97Very high8 Ų847.9 Ų47.94%0.03926%0.26CS..EExtended strand (participates in β ladder)trans-98.4107.7166-175.8171.464.900108.8P20 L23 I128 F239 E258 Y262P20-M126 HydrophobicContact CB-CE 4.13Å; L23-M126 HydrophobicContact CB-SD 4.3Å; L23-M126 HydrophobicContact CD2-SD 3.98Å; M126-I128 HydrophobicContact CE-CD1 4.18Å; M126-I128 HydrophobicContact CG-CG1 4.32Å; M126-F239 HydrophobicContact CB-CD1 4.04Å; M126-F239 HydrophobicContact CB-CE1 3.8Å; M126-F239 HydrophobicContact CG-CD1 4.22Å; M126-F239 HydrophobicContact CG-CE1 3.69Å; M126-F239 HydrophobicContact CG-CZ 4.35Å; M126-F239 HydrophobicContact SD-CE1 3.88Å; M126-F239 HydrophobicContact SD-CZ 4.19Å; M126-E258 VanDerWaalsContact O-CB 3.31Å; M126-E258 WeakPolarHBondContact O-CB 3.37Å; M126-Y262 HydrophobicContact CB-CD1 3.83Å; M126-Y262 HydrophobicContact CB-CE1 3.94Å; M126-Y262 HydrophobicContact CE-CD1 3.65Å; M126-Y262 HydrophobicContact CE-CD2 4.25Å; M126-Y262 HydrophobicContact CE-CE1 3.52Å; M126-Y262 HydrophobicContact CE-CE2 4.11Å; M126-Y262 HydrophobicContact CE-CG 4.02Å; M126-Y262 HydrophobicContact SD-CD1 4.35Å; M126-Y262 HydrophobicContact SD-CE1 3.79Å
127M98.5Very high96.8Very high1 Ų152.5 Ų52.51%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-102.7128.5-178.2-63.5-75.8-67.300109.3H125 F237 C238 I240 Y248 F251 K252 F256 S257 E258H125-M127 HydrophobicContact CB-CG 4.31Å; M127-F237 CarbonylContact O-C 3.55Å; M127-F237 WeakPolarHBondContact O-CA 3.21Å; M127-F237 WeakPolarHBondContact O-CB 3.17Å; M127-C238 PolarHBondContact N-O 2.74Å; M127-C238 PolarHBondContact O-N 3.38Å; M127-I240 HydrophobicContact CB-CD1 4.49Å; M127-I240 HydrophobicContact CG-CD1 3.79Å; M127-I240 HydrophobicContact CG-CG1 4.26Å; M127-Y248 HydrophobicContact CE-CE2 4.38Å; M127-Y248 HydrophobicContact SD-CD2 3.94Å; M127-Y248 HydrophobicContact SD-CE2 3.66Å; M127-F251 HydrophobicContact CE-CB 4.04Å; M127-K252 HydrophobicContact CE-CB 4.09Å; M127-F256 HydrophobicContact CB-CB 4.16Å; M127-F256 HydrophobicContact CB-CD1 4.2Å; M127-F256 HydrophobicContact CE-CB 3.78Å; M127-S257 CarbonylContact C-O 3.46Å; M127-S257 WeakPolarHBondContact CA-O 3.26Å; M127-E258 HydrophobicContact SD-CB 3.87Å; M127-E258 HydrophobicContact SD-CG 4.23Å
128I98.6Very high96.5Very high32 Ų3251 Ų5116%0.16429%0.286CS..EExtended strand (participates in β ladder)trans-123.1136.3-175-53.3171.6000109.1P20 L23 M126 E130 F237 F256 S257P20-I128 HydrophobicContact CB-CD1 3.7Å; L23-I128 HydrophobicContact CD2-CD1 3.57Å; L23-I128 HydrophobicContact CD2-CG1 3.69Å; M126-I128 HydrophobicContact CE-CD1 4.18Å; M126-I128 HydrophobicContact CG-CG1 4.32Å; I128-E130 HydrophobicContact CG2-CG 4.25Å; I128-F237 HydrophobicContact CG1-CB 4.12Å; I128-F256 CarbonylContact O-C 3.58Å; I128-F256 VanDerWaalsContact O-CA 3.3Å; I128-F256 WeakPolarHBondContact O-CA 3.47Å; I128-S257 PolarHBondContact N-O 3.24Å; I128-S257 PolarHBondContact O-N 3.32Å
129L98.4Very high96.1Very high9 Ų953.8 Ų53.85%0.04730%0.301CS..  trans-101.398.3166.4-17872.9000108.7D131 K134 L135 A226 V236 F256L129-D131 WeakPolarHBondContact CD1-O 3.32Å; L129-K134 HydrophobicContact CD1-CB 4.36Å; L129-L135 HydrophobicContact CD2-CD1 4.23Å; L129-L135 HydrophobicContact CD2-CD2 3.92Å; L129-L135 HydrophobicContact CD2-CG 3.94Å; L129-A226 HydrophobicContact CD2-CB 3.65Å; L129-V236 HydrophobicContact CB-CB 4.08Å; L129-V236 HydrophobicContact CB-CG1 3.88Å; L129-V236 HydrophobicContact CD2-CG1 4.03Å; L129-V236 PolarHBondContact N-O 2.86Å; L129-F256 HydrophobicContact CB-CD1 3.83Å; L129-F256 HydrophobicContact CB-CD2 3.98Å; L129-F256 HydrophobicContact CB-CE1 3.69Å; L129-F256 HydrophobicContact CB-CE2 3.84Å; L129-F256 HydrophobicContact CB-CG 3.97Å; L129-F256 HydrophobicContact CB-CZ 3.69Å; L129-F256 HydrophobicContact CD1-CD2 4.16Å; L129-F256 HydrophobicContact CD1-CE2 4.32Å; L129-F256 HydrophobicContact CD2-CE2 4.07Å; L129-F256 HydrophobicContact CD2-CZ 4.23Å; L129-F256 HydrophobicContact CG-CE2 4.31Å
130E95.2Very high95.7Very high142 Ų14253.9 Ų53.966%0.66431%0.306SS*.SBendtrans-71.9-31.6-178.7-62.3177.2155.100113.1I128 K134I128-E130 HydrophobicContact CG2-CG 4.25Å; E130-K134 IonicContact OE2-NZ 2.59Å; E130-K134 PolarHBondContact OE2-NZ 2.94Å
131D94.8Very high95.3Very high68 Ų6853.3 Ų53.336%0.36431%0.313SS..  trans-137.7117.9-177.1-179.93.4000110L129 S133 K134L129-D131 WeakPolarHBondContact CD1-O 3.32Å; D131-S133 PolarHBondContact O-N 3.14Å; D131-S133 VanDerWaalsContact OD1-CB 3.26Å; D131-S133 WeakPolarHBondContact OD1-CB 3.47Å; D131-S133 PolarHBondContact OD1-N 3.14Å; D131-S133 PolarHBondContact OD1-OG 3.38Å; D131-S133 VanDerWaalsContact OD1-OG 3.12Å; D131-S133 PolarHBondContact OD2-OG 3.46Å; D131-K134 HydrophobicContact CB-CD 4.17Å; D131-K134 HydrophobicContact CB-CG 4.14Å; D131-K134 WeakPolarHBondContact O-CB 3.46Å; D131-K134 PolarHBondContact O-N 2.89Å; D131-K134 VanDerWaalsContact O-N 3.09Å
132V95.6Very high95Very high46 Ų4655.4 Ų55.428%0.27935%0.347SS..G310 helixtrans-62.5-21.7179.175.10000112.6K134 L135 K227V132-K134 PolarHBondContact O-N 3.03Å; V132-L135 HydrophobicContact CG2-CD1 3.53Å; V132-L135 HydrophobicContact CG2-CG 4.46Å; V132-L135 WeakPolarHBondContact O-CB 3.44Å; V132-L135 WeakPolarHBondContact O-CD1 3.43Å; V132-L135 WeakPolarHBondContact O-CG 3.13Å; V132-L135 PolarHBondContact O-N 3.18Å; V132-K227 HydrophobicContact CG2-CG 3.94Å
133S95.1Very high94.9Very high89 Ų8956.5 Ų56.562%0.62235%0.351SS*.G310 helixtrans-67.1-21.7175.787.60000113.1D131 L135D131-S133 PolarHBondContact O-N 3.14Å; D131-S133 VanDerWaalsContact OD1-CB 3.26Å; D131-S133 WeakPolarHBondContact OD1-CB 3.47Å; D131-S133 PolarHBondContact OD1-N 3.14Å; D131-S133 PolarHBondContact OD1-OG 3.38Å; D131-S133 VanDerWaalsContact OD1-OG 3.12Å; D131-S133 PolarHBondContact OD2-OG 3.46Å; S133-L135 PolarHBondContact O-N 3.04Å
134K94.8Very high94.9Very high97 Ų9757.8 Ų57.842%0.42236%0.363SS..G310 helixtrans-71.9-11175.4-63.1175.6179.91720112.9L129 E130 D131 V132L129-K134 HydrophobicContact CD1-CB 4.36Å; E130-K134 IonicContact OE2-NZ 2.59Å; E130-K134 PolarHBondContact OE2-NZ 2.94Å; D131-K134 HydrophobicContact CB-CD 4.17Å; D131-K134 HydrophobicContact CB-CG 4.14Å; D131-K134 WeakPolarHBondContact O-CB 3.46Å; D131-K134 PolarHBondContact O-N 2.89Å; D131-K134 VanDerWaalsContact O-N 3.09Å; V132-K134 PolarHBondContact O-N 3.03Å
135L96.6Very high94.9Very high18 Ų1860.7 Ų60.79%0.09438%0.377CS..SBendtrans-64.5134176.7-71.6169.7000110.3L129 V132 S133 A226 K227 M254L129-L135 HydrophobicContact CD2-CD1 4.23Å; L129-L135 HydrophobicContact CD2-CD2 3.92Å; L129-L135 HydrophobicContact CD2-CG 3.94Å; V132-L135 HydrophobicContact CG2-CD1 3.53Å; V132-L135 HydrophobicContact CG2-CG 4.46Å; V132-L135 WeakPolarHBondContact O-CB 3.44Å; V132-L135 WeakPolarHBondContact O-CD1 3.43Å; V132-L135 WeakPolarHBondContact O-CG 3.13Å; V132-L135 PolarHBondContact O-N 3.18Å; S133-L135 PolarHBondContact O-N 3.04Å; L135-A226 HydrophobicContact CD1-CB 3.81Å; L135-A226 HydrophobicContact CD2-CB 4.31Å; L135-K227 HydrophobicContact CD1-CG 4.1Å; L135-M254 HydrophobicContact CD2-CE 3.74Å; L135-M254 WeakPolarHBondContact CD2-O 3.41Å
136P95.8Very high94.8Very high51 Ų5162.5 Ų62.533%0.33139%0.392SS..PPolyproline II helixtrans-65.2151.8172.928.1-34.1000110.8I138 M254P136-I138 HydrophobicContact CG-CD1 4.32Å; P136-I138 HydrophobicContact CG-CG1 4.42Å; P136-I138 PolarHBondContact O-N 3.27Å; P136-M254 HydrophobicContact CG-CE 4.41Å; P136-M254 HydrophobicContact CG-SD 3.66Å
137A93Very high94.8Very high109 Ų10965.3 Ų65.390%0.90141%0.413SS*.PPolyproline II helixtrans-62.4126.7166.600000109.1
138I92Very high94.8Very high45 Ų4565.7 Ų65.723%0.23141%0.414CS..  trans-124124.7-179.1-69.8158000108P136 C140 K219 V220 M254P136-I138 HydrophobicContact CG-CD1 4.32Å; P136-I138 HydrophobicContact CG-CG1 4.42Å; P136-I138 PolarHBondContact O-N 3.27Å; I138-C140 PolarHBondContact O-N 2.92Å; I138-K219 HydrophobicContact CD1-CB 3.86Å; I138-K219 WeakPolarHBondContact CD1-O 3.29Å; I138-K219 HydrophobicContact CG1-CB 4.43Å; I138-V220 HydrophobicContact CG2-CB 4.4Å; I138-V220 HydrophobicContact CG2-CG2 3.49Å; I138-V220 VanDerWaalsContact CG2-CG2 3.49Å; I138-M254 HydrophobicContact CD1-CE 3.46Å; I138-M254 VanDerWaalsContact CD1-CE 3.46Å; I138-M254 HydrophobicContact CD1-SD 3.84Å
139D88.4Confident94.6Very high120 Ų12066.1 Ų66.164%0.64242%0.423SS*.  trans-70.5122.8169.1-173.39.7000109.4S141D139-S141 VanDerWaalsContact CG-OG 3.26Å; D139-S141 WeakPolarHBondContact OD1-CB 3.32Å; D139-S141 PolarHBondContact OD1-N 3.35Å; D139-S141 PolarHBondContact OD1-OG 2.93Å; D139-S141 PolarHBondContact OD2-OG 3.16Å; D139-S141 VanDerWaalsContact OD2-OG 3.05Å
140C88.8Confident94.4Very high71 Ų7170.8 Ų70.848%0.4845%0.445SS..  trans-115.910.9176.551.30000111.9I138 G142 I143 V220I138-C140 PolarHBondContact O-N 2.92Å; C140-G142 PolarHBondContact O-N 2.7Å; C140-I143 WeakPolarHBondContact O-CB 3.4Å; C140-I143 PolarHBondContact O-N 2.87Å; C140-I143 VanDerWaalsContact O-N 3.11Å; C140-V220 HydrophobicContact CB-CG1 4.23Å
141S89.7Confident94.5Very high86 Ų8668.8 Ų68.860%0.60145%0.446SS*.THydrogen-bonded Turntrans-59.3131.9177.166.20000110.9D139 I143D139-S141 VanDerWaalsContact CG-OG 3.26Å; D139-S141 WeakPolarHBondContact OD1-CB 3.32Å; D139-S141 PolarHBondContact OD1-N 3.35Å; D139-S141 PolarHBondContact OD1-OG 2.93Å; D139-S141 PolarHBondContact OD2-OG 3.16Å; D139-S141 VanDerWaalsContact OD2-OG 3.05Å; S141-I143 PolarHBondContact O-N 3.41Å
142G89.8Confident94.5Very high93 Ų9367.4 Ų67.496%0.95944%0.438SS*.THydrogen-bonded Turntrans72.84.7-177.700000115.6C140C140-G142 PolarHBondContact O-N 2.7Å
143I95.8Very high94.6Very high38 Ų3865.6 Ų65.620%0.19543%0.426CS..  trans-97.4119.1176.7-59.6-179.3000109.6C140 S141 L145 V184 Y217 V220C140-I143 WeakPolarHBondContact O-CB 3.4Å; C140-I143 PolarHBondContact O-N 2.87Å; C140-I143 VanDerWaalsContact O-N 3.11Å; S141-I143 PolarHBondContact O-N 3.41Å; I143-L145 HydrophobicContact CG2-CD2 4.05Å; I143-L145 HydrophobicContact CG2-CG 4.31Å; I143-L145 PolarHBondContact O-N 3.39Å; I143-V184 HydrophobicContact CG2-CB 4.4Å; I143-V184 HydrophobicContact CG2-CG1 3.82Å; I143-V184 HydrophobicContact CG2-CG2 3.76Å; I143-Y217 HydrophobicContact CD1-CD1 3.95Å; I143-Y217 HydrophobicContact CD1-CE1 4.01Å; I143-Y217 HydrophobicContact CG1-CD1 4.46Å; I143-Y217 HydrophobicContact CG1-CE1 4.12Å; I143-Y217 HydrophobicContact CG2-CD1 4.48Å; I143-V220 HydrophobicContact CD1-CG2 3.66Å; I143-V220 HydrophobicContact CG2-CG1 4.38Å
144C96.9Very high94.6Very high67 Ų6766.3 Ų66.345%0.45342%0.423SS..EExtended strand (participates in β ladder)trans-85.5109.9175.5-171.70000109.9V184 L185C144-V184 WeakPolarHBondContact O-CA 3.45Å; C144-L185 HydrophobicContact CB-CB 4.27Å; C144-L185 PolarHBondContact O-N 3.44Å
145L97.8Very high94.7Very high66 Ų6664.2 Ų64.235%0.34642%0.416SS..EExtended strand (participates in β ladder)trans-97.3141.3176.2-64.7175.6000111.3I143 C183 V184 V220 L221 S224I143-L145 HydrophobicContact CG2-CD2 4.05Å; I143-L145 HydrophobicContact CG2-CG 4.31Å; I143-L145 PolarHBondContact O-N 3.39Å; L145-C183 WeakPolarHBondContact CA-O 3.28Å; L145-V184 HydrophobicContact CD2-CG2 3.78Å; L145-V220 HydrophobicContact CD1-CG1 3.94Å; L145-V220 HydrophobicContact CD2-CG1 3.92Å; L145-V220 HydrophobicContact CG-CG1 4.36Å; L145-L221 HydrophobicContact CD2-CD2 3.96Å; L145-S224 WeakPolarHBondContact CD1-OG 3.47Å
146S97.8Very high94.7Very high56 Ų5663.4 Ų63.439%0.39241%0.412SS..EExtended strand (participates in β ladder)trans-146.8-175.3172.7-166.70000110.3C182 C183S146-C182 CarbonylContact O-C 3.55Å; S146-C182 WeakPolarHBondContact O-CA 3.45Å; S146-C183 PolarHBondContact N-O 2.57Å; S146-C183 PolarHBondContact O-N 2.9Å
147S97.6Very high94.7Very high68 Ų6861.7 Ų61.748%0.47640%0.4SS..  trans-101.8154.6167.4-71.40000110.6S181S147-S181 PolarHBondContact OG-O 3.2Å
148L97.8Very high94.8Very high8 Ų863.1 Ų63.14%0.04239%0.388CS..  trans-69.1156.5168.1-67.7171.4000109.8H152 V156 V176 S181 C183 P191 W194 L196L148-H152 HydrophobicContact CD2-CB 3.87Å; L148-V156 HydrophobicContact CD1-CG2 3.99Å; L148-V176 HydrophobicContact CB-CB 4.36Å; L148-V176 HydrophobicContact CB-CG1 4.02Å; L148-V176 HydrophobicContact CD1-CG1 4.27Å; L148-S181 PolarHBondContact N-OG 3.06Å; L148-C183 HydrophobicContact CD2-CB 3.94Å; L148-C183 HydrophobicContact CG-CB 4.23Å; L148-P191 HydrophobicContact CD2-CB 4.09Å; L148-P191 HydrophobicContact CD2-CG 4.04Å; L148-W194 HydrophobicContact CD1-CB 3.88Å; L148-W194 HydrophobicContact CD1-CG 4.11Å; L148-W194 HydrophobicContact CD2-CB 4.13Å; L148-W194 HydrophobicContact CG-CB 4.22Å; L148-L196 HydrophobicContact CD1-CD1 3.86Å; L148-L196 HydrophobicContact CD1-CD2 4.08Å; L148-L196 HydrophobicContact CD1-CG 3.78Å
149A94.9Very high95Very high42 Ų4262.9 Ų62.935%0.34739%0.389SS..  trans-136.2169.9179.400000108.2S151 H152A149-S151 PolarHBondContact O-N 2.92Å; A149-S151 VanDerWaalsContact O-N 3.16Å; A149-H152 PolarHBondContact N-ND1 2.8Å; A149-H152 VanDerWaalsContact N-ND1 3.2Å; A149-H152 WeakPolarHBondContact O-CB 3.22Å; A149-H152 PolarHBondContact O-N 3.26Å
150E95.3Very high95.3Very high107 Ų10759.3 Ų59.350%0.537%0.367SS..G310 helixtrans-56.6-32.7-179.8-168.6-18013800113H152 L153 R173E150-H152 PolarHBondContact O-N 2.89Å; E150-H152 VanDerWaalsContact O-N 3.11Å; E150-L153 WeakPolarHBondContact O-CB 3.41Å; E150-L153 PolarHBondContact O-N 3.03Å; E150-R173 IonicContact OE1-CZ 3.01Å; E150-R173 IonicContact OE1-NH1 3.52Å; E150-R173 PolarHBondContact OE1-NH1 3.28Å; E150-R173 IonicContact OE2-NH1 2.87Å
151S95.8Very high95.5Very high100 Ų10061.8 Ų61.870%0.69937%0.369SS*.G310 helixtrans-60.5-18.3174.855.30000114.2A149A149-S151 PolarHBondContact O-N 2.92Å; A149-S151 VanDerWaalsContact O-N 3.16Å
152H96.1Very high95.6Very high39 Ų3960.5 Ų60.518%0.18135%0.353CS..G310 helixtrans-96.61.9179-51.5136.7000113L148 A149 E150 D154 L155 V156 P191L148-H152 HydrophobicContact CD2-CB 3.87Å; A149-H152 PolarHBondContact N-ND1 2.8Å; A149-H152 VanDerWaalsContact N-ND1 3.2Å; A149-H152 WeakPolarHBondContact O-CB 3.22Å; A149-H152 PolarHBondContact O-N 3.26Å; E150-H152 PolarHBondContact O-N 2.89Å; E150-H152 VanDerWaalsContact O-N 3.11Å; H152-D154 VanDerWaalsContact C-N 3.35Å; H152-D154 PolarHBondContact O-N 3.01Å; H152-L155 WeakPolarHBondContact O-CB 3.42Å; H152-L155 PolarHBondContact O-N 3.08Å; H152-V156 PolarHBondContact O-N 2.95Å; H152-P191 HydrophobicContact CB-CG 4.5Å
153L96.1Very high95.8Very high7 Ų756.6 Ų56.64%0.03731%0.313CS..Hα-helixtrans-56.6-46.8-176178.1150.6000112.4E150 L155 V156 N157 A169 I172 R173E150-L153 WeakPolarHBondContact O-CB 3.41Å; E150-L153 PolarHBondContact O-N 3.03Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 2.89Å; L153-V156 PolarHBondContact O-N 2.92Å; L153-N157 VanDerWaalsContact O-CB 3.28Å; L153-N157 WeakPolarHBondContact O-CB 3.44Å; L153-N157 PolarHBondContact O-N 2.91Å; L153-A169 HydrophobicContact CD2-CB 4.28Å; L153-I172 HydrophobicContact CG-CG2 4.43Å; L153-R173 HydrophobicContact CD1-CB 3.5Å; L153-R173 HydrophobicContact CD1-CG 3.96Å
154D95.7Very high95.6Very high104 Ų10459.2 Ų59.256%0.55633%0.334SS*.Hα-helixtrans-64.1-40.2-176.5-70.3-22000111.4H152 V156 N157 Q158H152-D154 VanDerWaalsContact C-N 3.35Å; H152-D154 PolarHBondContact O-N 3.01Å; D154-V156 PolarHBondContact O-N 3.44Å; D154-N157 PolarHBondContact O-N 2.93Å; D154-Q158 WeakPolarHBondContact O-CB 3.31Å; D154-Q158 WeakPolarHBondContact O-CG 3.49Å; D154-Q158 PolarHBondContact O-N 3.42Å
155L96.1Very high95.4Very high53 Ų5358.3 Ų58.328%0.27733%0.325SS..Hα-helixtrans-58.9-49.4175.6175.563.9000111.4H152 L153 T159 P191 W194H152-L155 WeakPolarHBondContact O-CB 3.42Å; H152-L155 PolarHBondContact O-N 3.08Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 2.89Å; L155-T159 HydrophobicContact CD1-CG2 4.33Å; L155-T159 WeakPolarHBondContact O-CB 3.13Å; L155-T159 VanDerWaalsContact O-CG2 3.28Å; L155-T159 WeakPolarHBondContact O-CG2 3.48Å; L155-T159 PolarHBondContact O-N 3.16Å; L155-T159 PolarHBondContact O-OG1 3.02Å; L155-P191 HydrophobicContact CD2-CB 4.21Å; L155-W194 HydrophobicContact CD1-CH2 4.13Å; L155-W194 HydrophobicContact CD2-CE3 4.42Å; L155-W194 HydrophobicContact CD2-CH2 4.14Å; L155-W194 HydrophobicContact CD2-CZ3 3.85Å; L155-W194 HydrophobicContact CG-CH2 3.93Å; L155-W194 HydrophobicContact CG-CZ3 4.18Å
156V96.8Very high95.1Very high1 Ų162.7 Ų62.71%0.00634%0.343CS..Hα-helixtrans-67-41.8-179.7-179.90000110.7L148 H152 L153 D154 Q158 T159 W160 I172 L196 M205L148-V156 HydrophobicContact CD1-CG2 3.99Å; H152-V156 PolarHBondContact O-N 2.95Å; L153-V156 PolarHBondContact O-N 2.92Å; D154-V156 PolarHBondContact O-N 3.44Å; V156-Q158 PolarHBondContact O-N 3.37Å; V156-T159 PolarHBondContact O-N 2.91Å; V156-T159 PolarHBondContact O-OG1 3.16Å; V156-T159 VanDerWaalsContact O-OG1 3.1Å; V156-W160 WeakPolarHBondContact O-CB 3.17Å; V156-W160 PolarHBondContact O-N 3.42Å; V156-W160 VanDerWaalsContact O-N 3.14Å; V156-I172 HydrophobicContact CB-CG2 4.04Å; V156-I172 HydrophobicContact CG1-CD1 4.2Å; V156-I172 HydrophobicContact CG1-CG1 4.47Å; V156-I172 HydrophobicContact CG1-CG2 3.84Å; V156-L196 HydrophobicContact CG1-CD1 3.85Å; V156-L196 HydrophobicContact CG1-CD2 4.37Å; V156-M205 HydrophobicContact CG1-SD 4.32Å
157N96.4Very high95Very high16 Ų1660 Ų609%0.08633%0.325CS..Hα-helixtrans-67.5-33.7-179-171.545.6000112.9L153 D154 G163 S164 A168 I172L153-N157 VanDerWaalsContact O-CB 3.28Å; L153-N157 WeakPolarHBondContact O-CB 3.44Å; L153-N157 PolarHBondContact O-N 2.91Å; D154-N157 PolarHBondContact O-N 2.93Å; N157-G163 VanDerWaalsContact O-CA 3.28Å; N157-G163 WeakPolarHBondContact O-CA 3.3Å; N157-G163 WeakPolarHBondContact OD1-CA 3.33Å; N157-S164 PolarHBondContact O-N 2.87Å; N157-S164 PolarHBondContact OD1-N 2.83Å; N157-A168 WeakPolarHBondContact OD1-CB 3.19Å; N157-I172 HydrophobicContact CB-CD1 3.95Å
158Q95.7Very high94.9Very high138 Ų13856.8 Ų56.865%0.64530%0.303SS*.Hα-helixtrans-78.1-24.7178.6-71.4170.225.800113.2D154 V156D154-Q158 WeakPolarHBondContact O-CB 3.31Å; D154-Q158 WeakPolarHBondContact O-CG 3.49Å; D154-Q158 PolarHBondContact O-N 3.42Å; V156-Q158 PolarHBondContact O-N 3.37Å
159T95.2Very high94.8Very high41 Ų4157.4 Ų57.425%0.25231%0.308SS..Hα-helixtrans-95.1-17.3-175.850.80000113.3L155 V156 W194 Y207L155-T159 HydrophobicContact CD1-CG2 4.33Å; L155-T159 WeakPolarHBondContact O-CB 3.13Å; L155-T159 VanDerWaalsContact O-CG2 3.28Å; L155-T159 WeakPolarHBondContact O-CG2 3.48Å; L155-T159 PolarHBondContact O-N 3.16Å; L155-T159 PolarHBondContact O-OG1 3.02Å; V156-T159 PolarHBondContact O-N 2.91Å; V156-T159 PolarHBondContact O-OG1 3.16Å; V156-T159 VanDerWaalsContact O-OG1 3.1Å; T159-W194 HydrophobicContact CG2-CH2 4.2Å; T159-W194 HydrophobicContact CG2-CZ2 4.21Å; T159-W194 VanDerWaalsContact OG1-CZ2 3.32Å; T159-W194 WeakPolarHBondContact OG1-CZ2 3.41Å; T159-Y207 HydrophobicContact CG2-CE1 4.27Å
160W95.7Very high94.8Very high45 Ų4557.9 Ų57.917%0.1730%0.301CS..SBendtrans-83.1134.8177.2-171.951.3000111.7F66 V156 F162 G163 A168 M171 I172 M205F66-W160 AromaticContact CE1-CH2 3.96Å; F66-W160 HydrophobicContact CE1-CH2 3.96Å; F66-W160 AromaticContact CE1-CZ3 3.78Å; F66-W160 HydrophobicContact CE1-CZ3 3.78Å; F66-W160 HydrophobicContact CZ-CH2 4.21Å; F66-W160 AromaticContact CZ-CZ3 3.92Å; F66-W160 HydrophobicContact CZ-CZ3 3.92Å; V156-W160 WeakPolarHBondContact O-CB 3.17Å; V156-W160 PolarHBondContact O-N 3.42Å; V156-W160 VanDerWaalsContact O-N 3.14Å; W160-F162 HydrophobicContact CD2-CB 4.02Å; W160-F162 HydrophobicContact CD2-CD2 4.5Å; W160-F162 AromaticContact CE2-CD2 3.68Å; W160-F162 HydrophobicContact CE3-CB 3.82Å; W160-F162 HydrophobicContact CH2-CB 3.55Å; W160-F162 HydrophobicContact CH2-CD2 4.01Å; W160-F162 HydrophobicContact CH2-CG 4.23Å; W160-F162 HydrophobicContact CZ2-CB 3.78Å; W160-F162 AromaticContact CZ2-CD2 3.43Å; W160-F162 HydrophobicContact CZ2-CD2 3.43Å; W160-F162 VanDerWaalsContact CZ2-CD2 3.43Å; W160-F162 HydrophobicContact CZ2-CE2 4.41Å; W160-F162 HydrophobicContact CZ2-CG 4.07Å; W160-F162 HydrophobicContact CZ3-CB 3.58Å; W160-F162 AromaticContact NE1-CD2 3.97Å; W160-F162 PolarHBondContact O-N 3.03Å; W160-G163 WeakPolarHBondContact O-CA 3.39Å; W160-G163 PolarHBondContact O-N 2.94Å; W160-A168 HydrophobicContact CE3-CB 4.19Å; W160-A168 HydrophobicContact CZ3-CB 3.89Å; W160-M171 HydrophobicContact CH2-CE 3.38Å; W160-M171 HydrophobicContact CZ2-CE 4.24Å; W160-M171 HydrophobicContact CZ3-CE 3.6Å; W160-I172 HydrophobicContact CE3-CD1 4.12Å; W160-M205 HydrophobicContact CD2-CE 3.7Å; W160-M205 HydrophobicContact CD2-SD 4.27Å; W160-M205 VanDerWaalsContact CE2-CE 3.48Å; W160-M205 HydrophobicContact CE3-CE 3.92Å; W160-M205 HydrophobicContact CG-CE 4.36Å; W160-M205 HydrophobicContact CG-SD 4.34Å; W160-M205 HydrophobicContact CH2-CE 3.77Å; W160-M205 HydrophobicContact CZ2-CE 3.5Å; W160-M205 HydrophobicContact CZ3-CE 3.96Å
161K93.4Very high94.8Very high122 Ų12253.7 Ų53.753%0.5328%0.282SS..THydrogen-bonded Turntrans-64.2-24.4-173.870.5174.3-168.4162.60114.9E241K161-E241 WeakPolarHBondContact CE-OE1 3.46Å; K161-E241 IonicContact NZ-OE1 2.78Å; K161-E241 PolarHBondContact NZ-OE1 3.16Å; K161-E241 IonicContact NZ-OE2 3.55Å; K161-E241 PolarHBondContact NZ-OE2 3.02Å
162F92Very high94.9Very high60 Ų6049 Ų4926%0.26325%0.249SC..THydrogen-bonded Turntrans-100.610.5174.9-56-68.2000112F66 L121 W160 N165 A168F66-F162 HydrophobicContact CZ-CB 4.33Å; F66-F162 WeakPolarHBondContact CZ-O 3.35Å; L121-F162 HydrophobicContact CB-CE1 4.34Å; L121-F162 HydrophobicContact CB-CZ 4.3Å; L121-F162 HydrophobicContact CD2-CE1 4.3Å; W160-F162 HydrophobicContact CD2-CB 4.02Å; W160-F162 HydrophobicContact CD2-CD2 4.5Å; W160-F162 AromaticContact CE2-CD2 3.68Å; W160-F162 HydrophobicContact CE3-CB 3.82Å; W160-F162 HydrophobicContact CH2-CB 3.55Å; W160-F162 HydrophobicContact CH2-CD2 4.01Å; W160-F162 HydrophobicContact CH2-CG 4.23Å; W160-F162 HydrophobicContact CZ2-CB 3.78Å; W160-F162 AromaticContact CZ2-CD2 3.43Å; W160-F162 HydrophobicContact CZ2-CD2 3.43Å; W160-F162 VanDerWaalsContact CZ2-CD2 3.43Å; W160-F162 HydrophobicContact CZ2-CE2 4.41Å; W160-F162 HydrophobicContact CZ2-CG 4.07Å; W160-F162 HydrophobicContact CZ3-CB 3.58Å; W160-F162 AromaticContact NE1-CD2 3.97Å; W160-F162 PolarHBondContact O-N 3.03Å; F162-N165 PolarHBondContact O-ND2 2.83Å; F162-A168 WeakPolarHBondContact O-CB 3.34Å
163G92.8Very high94.9Very high11 Ų1152 Ų5211%0.11326%0.259CS..  trans-79.4-152.9-177.700000113.8N157 W160 N165N157-G163 VanDerWaalsContact O-CA 3.28Å; N157-G163 WeakPolarHBondContact O-CA 3.3Å; N157-G163 WeakPolarHBondContact OD1-CA 3.33Å; W160-G163 WeakPolarHBondContact O-CA 3.39Å; W160-G163 PolarHBondContact O-N 2.94Å; G163-N165 PolarHBondContact O-N 3.47Å; G163-N165 VanDerWaalsContact O-N 3.13Å; G163-N165 PolarHBondContact O-ND2 2.93Å
164S91.3Very high94.9Very high93 Ų9352.2 Ų52.265%0.6526%0.26SS*.SBendtrans56.926.6176.7-58.40000115.3N157N157-S164 PolarHBondContact O-N 2.87Å; N157-S164 PolarHBondContact OD1-N 2.83Å
165N92.6Very high95Very high47 Ų4747.5 Ų47.525%0.25124%0.235SC..SBendtrans-141.5161.6173.770.482.9000111.2F162 G163 G167 A168 A169F162-N165 PolarHBondContact O-ND2 2.83Å; G163-N165 PolarHBondContact O-N 3.47Å; G163-N165 VanDerWaalsContact O-N 3.13Å; G163-N165 PolarHBondContact O-ND2 2.93Å; N165-G167 VanDerWaalsContact C-N 3.29Å; N165-G167 PolarHBondContact O-N 3.18Å; N165-G167 WeakPolarHBondContact OD1-CA 3.43Å; N165-G167 PolarHBondContact OD1-N 3.15Å; N165-A168 WeakPolarHBondContact ND2-CB 3.36Å; N165-A168 PolarHBondContact O-N 3.05Å; N165-A168 PolarHBondContact OD1-N 3.01Å; N165-A169 WeakPolarHBondContact O-CB 3.42Å; N165-A169 PolarHBondContact O-N 3.4Å
166E93.1Very high95Very high158 Ų15845.4 Ų45.474%0.73822%0.224SC*.Hα-helixtrans-65.5-30.5-176.5-63.7-173.6170.200113.5T63 R170T63-E166 HydrophobicContact CG2-CB 3.89Å; E166-R170 WeakPolarHBondContact O-CB 3.32Å; E166-R170 PolarHBondContact O-N 3.43Å
167G94.1Very high95Very high1 Ų149 Ų491%0.0125%0.246CC..Hα-helixtrans-62.5-53.717500000111.4N165 R170 M171N165-G167 VanDerWaalsContact C-N 3.29Å; N165-G167 PolarHBondContact O-N 3.18Å; N165-G167 WeakPolarHBondContact OD1-CA 3.43Å; N165-G167 PolarHBondContact OD1-N 3.15Å; G167-R170 PolarHBondContact O-N 3.17Å; G167-M171 PolarHBondContact O-N 2.99Å
168A95.4Very high94.9Very high0 Ų050.9 Ų50.90%026%0.256CS..Hα-helixtrans-60.5-46.2175.600000112.1F66 N157 W160 F162 N165 R170 M171 I172F66-A168 HydrophobicContact CE1-CB 3.83Å; F66-A168 HydrophobicContact CE2-CB 4.42Å; F66-A168 HydrophobicContact CZ-CB 3.77Å; N157-A168 WeakPolarHBondContact OD1-CB 3.19Å; W160-A168 HydrophobicContact CE3-CB 4.19Å; W160-A168 HydrophobicContact CZ3-CB 3.89Å; F162-A168 WeakPolarHBondContact O-CB 3.34Å; N165-A168 WeakPolarHBondContact ND2-CB 3.36Å; N165-A168 PolarHBondContact O-N 3.05Å; N165-A168 PolarHBondContact OD1-N 3.01Å; A168-R170 VanDerWaalsContact C-N 3.3Å; A168-R170 PolarHBondContact O-N 3.3Å; A168-M171 PolarHBondContact O-N 3.44Å; A168-M171 VanDerWaalsContact O-N 3.17Å; A168-I172 WeakPolarHBondContact O-CB 3.3Å; A168-I172 VanDerWaalsContact O-CG1 3.29Å; A168-I172 WeakPolarHBondContact O-CG1 3.38Å; A168-I172 PolarHBondContact O-N 2.99Å
169A96.2Very high95Very high20 Ų2044.8 Ų44.817%0.16523%0.228CC..Hα-helixtrans-56.7-44178.200000111.8L153 N165 R173L153-A169 HydrophobicContact CD2-CB 4.28Å; N165-A169 WeakPolarHBondContact O-CB 3.42Å; N165-A169 PolarHBondContact O-N 3.4Å; A169-R173 WeakPolarHBondContact O-CB 3.38Å; A169-R173 PolarHBondContact O-N 3.19Å
170R95.3Very high95.1Very high53 Ų5344 Ų4420%0.222%0.223CC..Hα-helixtrans-67.9-41.2177.5-173.4174.2177.2-148.7-5.5112.5T63 D64 E166 G167 A168 R173 N174T63-R170 VanDerWaalsContact OG1-CD 3.22Å; T63-R170 WeakPolarHBondContact OG1-CD 3.31Å; T63-R170 PolarHBondContact OG1-NH1 3.04Å; D64-R170 IonicContact OD1-CZ 3.6Å; D64-R170 IonicContact OD1-NH1 2.62Å; D64-R170 PolarHBondContact OD1-NH1 2.94Å; D64-R170 IonicContact OD1-NH2 3.6Å; D64-R170 PolarHBondContact OD1-NH2 3.37Å; D64-R170 IonicContact OD2-CZ 3.52Å; D64-R170 IonicContact OD2-NH1 3.51Å; D64-R170 PolarHBondContact OD2-NH1 2.91Å; D64-R170 IonicContact OD2-NH2 2.77Å; D64-R170 PolarHBondContact OD2-NH2 3.13Å; E166-R170 WeakPolarHBondContact O-CB 3.32Å; E166-R170 PolarHBondContact O-N 3.43Å; G167-R170 PolarHBondContact O-N 3.17Å; A168-R170 VanDerWaalsContact C-N 3.3Å; A168-R170 PolarHBondContact O-N 3.3Å; R170-R173 WeakPolarHBondContact O-CB 3.39Å; R170-R173 PolarHBondContact O-N 3.16Å; R170-N174 PolarHBondContact O-N 2.89Å
171M96.1Very high95.2Very high19 Ų1942.2 Ų42.29%0.09422%0.218CC..Hα-helixtrans-62.2-48176.1-173.4-172.871.900111.3F66 K67 W160 G167 A168 R173 N174 M175 M205F66-M171 HydrophobicContact CD1-CB 4.38Å; F66-M171 HydrophobicContact CD1-SD 4.18Å; F66-M171 HydrophobicContact CE1-CE 4.07Å; F66-M171 HydrophobicContact CE1-SD 4.23Å; K67-M171 HydrophobicContact CG-CG 4.48Å; W160-M171 HydrophobicContact CH2-CE 3.38Å; W160-M171 HydrophobicContact CZ2-CE 4.24Å; W160-M171 HydrophobicContact CZ3-CE 3.6Å; G167-M171 PolarHBondContact O-N 2.99Å; A168-M171 PolarHBondContact O-N 3.44Å; A168-M171 VanDerWaalsContact O-N 3.17Å; M171-R173 VanDerWaalsContact C-N 3.34Å; M171-R173 PolarHBondContact O-N 3.34Å; M171-N174 PolarHBondContact O-N 2.89Å; M171-M175 HydrophobicContact CE-SD 4.24Å; M171-M175 HydrophobicContact CG-SD 4.4Å; M171-M175 WeakPolarHBondContact O-CG 3.38Å; M171-M175 PolarHBondContact O-N 3.36Å; M171-M175 VanDerWaalsContact O-N 3.11Å; M171-M205 HydrophobicContact CE-CE 3.53Å
172I97.3Very high95.4Very high0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-62.6-40.7178.6-69.1164.9000110.7L153 V156 N157 W160 A168 N174 M175 V176 M205L153-I172 HydrophobicContact CG-CG2 4.43Å; V156-I172 HydrophobicContact CB-CG2 4.04Å; V156-I172 HydrophobicContact CG1-CD1 4.2Å; V156-I172 HydrophobicContact CG1-CG1 4.47Å; V156-I172 HydrophobicContact CG1-CG2 3.84Å; N157-I172 HydrophobicContact CB-CD1 3.95Å; W160-I172 HydrophobicContact CE3-CD1 4.12Å; A168-I172 WeakPolarHBondContact O-CB 3.3Å; A168-I172 VanDerWaalsContact O-CG1 3.29Å; A168-I172 WeakPolarHBondContact O-CG1 3.38Å; A168-I172 PolarHBondContact O-N 2.99Å; I172-N174 VanDerWaalsContact C-N 3.3Å; I172-N174 PolarHBondContact O-N 3.38Å; I172-M175 WeakPolarHBondContact O-CA 3.47Å; I172-M175 WeakPolarHBondContact O-CB 3.46Å; I172-M175 PolarHBondContact O-N 2.96Å; I172-V176 HydrophobicContact CG2-CG1 4.21Å; I172-V176 WeakPolarHBondContact O-CG2 3.38Å; I172-V176 PolarHBondContact O-N 3.05Å; I172-M205 HydrophobicContact CG1-CE 4.19Å; I172-M205 HydrophobicContact CG1-SD 4.26Å
173R96.8Very high95.8Very high102 Ų10234.2 Ų34.239%0.38518%0.184SC..Hα-helixtrans-52.7-48.7173.4-171.1178.1-69.7-87-5.5112E150 L153 A169 R170 M171 M175 V176 T177E150-R173 IonicContact OE1-CZ 3.01Å; E150-R173 IonicContact OE1-NH1 3.52Å; E150-R173 PolarHBondContact OE1-NH1 3.28Å; E150-R173 IonicContact OE2-NH1 2.87Å; L153-R173 HydrophobicContact CD1-CB 3.5Å; L153-R173 HydrophobicContact CD1-CG 3.96Å; A169-R173 WeakPolarHBondContact O-CB 3.38Å; A169-R173 PolarHBondContact O-N 3.19Å; R170-R173 WeakPolarHBondContact O-CB 3.39Å; R170-R173 PolarHBondContact O-N 3.16Å; M171-R173 VanDerWaalsContact C-N 3.34Å; M171-R173 PolarHBondContact O-N 3.34Å; R173-M175 VanDerWaalsContact C-N 3.3Å; R173-M175 PolarHBondContact O-N 3.13Å; R173-V176 WeakPolarHBondContact O-CG2 3.34Å; R173-V176 PolarHBondContact O-N 3.5Å; R173-T177 VanDerWaalsContact O-CB 3.25Å; R173-T177 WeakPolarHBondContact O-CB 3.32Å; R173-T177 PolarHBondContact O-N 2.82Å; R173-T177 PolarHBondContact O-OG1 3.41Å
174N95.9Very high96Very high13 Ų1333.7 Ų33.77%0.0718%0.179CC..Hα-helixtrans-62.6-39.2177.6177.667.4000111.2D38 R170 M171 I172 N178 F179D38-N174 PolarHBondContact N-OD1 3Å; R170-N174 PolarHBondContact O-N 2.89Å; M171-N174 PolarHBondContact O-N 2.89Å; I172-N174 VanDerWaalsContact C-N 3.3Å; I172-N174 PolarHBondContact O-N 3.38Å; N174-N178 VanDerWaalsContact O-CB 3.3Å; N174-N178 WeakPolarHBondContact O-CB 3.25Å; N174-N178 PolarHBondContact O-N 3.06Å; N174-N178 PolarHBondContact OD1-ND2 3.25Å; N174-F179 VanDerWaalsContact ND2-CE2 3.35Å; N174-F179 WeakPolarHBondContact ND2-CE2 3.48Å; N174-F179 WeakPolarHBondContact ND2-CZ 3.5Å
175M97.1Very high96.4Very high5 Ų530.8 Ų30.83%0.02516%0.156CC..Hα-helixtrans-63.8-50.4176.9-62.5166.174.500112.7M171 I172 R173 T177 F179 L196 T197 Y198 M205M171-M175 HydrophobicContact CE-SD 4.24Å; M171-M175 HydrophobicContact CG-SD 4.4Å; M171-M175 WeakPolarHBondContact O-CG 3.38Å; M171-M175 PolarHBondContact O-N 3.36Å; M171-M175 VanDerWaalsContact O-N 3.11Å; I172-M175 WeakPolarHBondContact O-CA 3.47Å; I172-M175 WeakPolarHBondContact O-CB 3.46Å; I172-M175 PolarHBondContact O-N 2.96Å; R173-M175 VanDerWaalsContact C-N 3.3Å; R173-M175 PolarHBondContact O-N 3.13Å; M175-T177 VanDerWaalsContact C-N 3.32Å; M175-T177 PolarHBondContact O-N 2.82Å; M175-F179 HydrophobicContact CB-CD2 4.14Å; M175-F179 HydrophobicContact CG-CD2 3.99Å; M175-F179 HydrophobicContact CG-CE2 4.23Å; M175-F179 WeakPolarHBondContact O-CB 3.5Å; M175-F179 PolarHBondContact O-N 3.23Å; M175-L196 HydrophobicContact CB-CD2 3.91Å; M175-L196 HydrophobicContact CE-CB 3.63Å; M175-L196 HydrophobicContact CE-CD2 4.19Å; M175-T197 WeakPolarHBondContact CE-O 3.46Å; M175-Y198 HydrophobicContact CE-CD1 3.77Å; M175-Y198 HydrophobicContact CE-CE1 4.03Å; M175-Y198 HydrophobicContact CE-CG 4.15Å; M175-Y198 HydrophobicContact SD-CD1 4.33Å; M175-M205 HydrophobicContact CE-CE 3.92Å; M175-M205 HydrophobicContact CE-CG 4.38Å; M175-M205 HydrophobicContact CE-SD 3.91Å; M175-M205 HydrophobicContact SD-CE 3.82Å; M175-M205 HydrophobicContact SD-SD 4.24Å
176V96.7Very high96.5Very high9 Ų930.7 Ų30.76%0.05516%0.156CC..Hα-helixtrans-71.5-26.9-176.9-60.10000113.2L148 I172 R173 L196L148-V176 HydrophobicContact CB-CB 4.36Å; L148-V176 HydrophobicContact CB-CG1 4.02Å; L148-V176 HydrophobicContact CD1-CG1 4.27Å; I172-V176 HydrophobicContact CG2-CG1 4.21Å; I172-V176 WeakPolarHBondContact O-CG2 3.38Å; I172-V176 PolarHBondContact O-N 3.05Å; R173-V176 WeakPolarHBondContact O-CG2 3.34Å; R173-V176 PolarHBondContact O-N 3.5Å; V176-L196 HydrophobicContact CG1-CD2 3.58Å
177T95.2Very high96.6Very high77 Ų7729.4 Ų29.447%0.47216%0.164SC..Hα-helixtrans-85.3-37.9-177.5-52.40000112R173 M175R173-T177 VanDerWaalsContact O-CB 3.25Å; R173-T177 WeakPolarHBondContact O-CB 3.32Å; R173-T177 PolarHBondContact O-N 2.82Å; R173-T177 PolarHBondContact O-OG1 3.41Å; M175-T177 VanDerWaalsContact C-N 3.32Å; M175-T177 PolarHBondContact O-N 2.82Å
178N95.9Very high96.7Very high55 Ų5535.9 Ų35.929%0.29419%0.194SC..Hα-helixtrans-116.7-20.3-165.1-64.4-48.4000114.7K36 N174K36-N178 WeakPolarHBondContact O-CB 3.35Å; N174-N178 VanDerWaalsContact O-CB 3.3Å; N174-N178 WeakPolarHBondContact O-CB 3.25Å; N174-N178 PolarHBondContact O-N 3.06Å; N174-N178 PolarHBondContact OD1-ND2 3.25Å
179F97.2Very high96.7Very high9 Ų937.9 Ų37.94%0.03921%0.214CC..SBendtrans-110.4152.4-174.6-52.4-27.3000111.2L31 V35 N174 M175 S181 T197 V199L31-F179 HydrophobicContact CD2-CD1 3.92Å; L31-F179 HydrophobicContact CD2-CD2 4.36Å; L31-F179 HydrophobicContact CD2-CE1 4.07Å; L31-F179 HydrophobicContact CD2-CE2 4.49Å; L31-F179 HydrophobicContact CD2-CG 4.09Å; L31-F179 HydrophobicContact CD2-CZ 4.34Å; L31-F179 HydrophobicContact CG-CD1 4.36Å; L31-F179 HydrophobicContact CG-CE1 4.49Å; V35-F179 HydrophobicContact CG2-CD1 3.73Å; V35-F179 HydrophobicContact CG2-CE1 3.77Å; N174-F179 VanDerWaalsContact ND2-CE2 3.35Å; N174-F179 WeakPolarHBondContact ND2-CE2 3.48Å; N174-F179 WeakPolarHBondContact ND2-CZ 3.5Å; M175-F179 HydrophobicContact CB-CD2 4.14Å; M175-F179 HydrophobicContact CG-CD2 3.99Å; M175-F179 HydrophobicContact CG-CE2 4.23Å; M175-F179 WeakPolarHBondContact O-CB 3.5Å; M175-F179 PolarHBondContact O-N 3.23Å; F179-S181 PolarHBondContact O-N 3.11Å; F179-T197 HydrophobicContact CB-CG2 4.45Å; F179-T197 WeakPolarHBondContact CD2-O 3.46Å; F179-V199 HydrophobicContact CE2-CB 4.04Å; F179-V199 HydrophobicContact CE2-CG2 4.32Å; F179-V199 HydrophobicContact CZ-CB 4.21Å; F179-V199 HydrophobicContact CZ-CG2 3.97Å
180P96.9Very high96.7Very high25 Ų2542.4 Ų42.416%0.16223%0.23CC..  trans-53.3133.9172.1-27.836.7000111.4T197 M225 F229P180-T197 VanDerWaalsContact O-CB 3.31Å; P180-T197 WeakPolarHBondContact O-CB 3.01Å; P180-T197 PolarHBondContact O-OG1 2.98Å; P180-M225 HydrophobicContact CB-CE 4.2Å; P180-F229 HydrophobicContact CB-CE1 3.61Å; P180-F229 HydrophobicContact CB-CZ 4.07Å; P180-F229 HydrophobicContact CG-CE1 4.03Å; P180-F229 HydrophobicContact CG-CZ 4.26Å
181S98.1Very high96.8Very high8 Ų840.2 Ų40.26%0.05622%0.223CC..  trans-142.8158.4172.265.50000109.3S147 L148 F179S147-S181 PolarHBondContact OG-O 3.2Å; L148-S181 PolarHBondContact N-OG 3.06Å; F179-S181 PolarHBondContact O-N 3.11Å
182C98.4Very high96.9Very high13 Ų1339.5 Ų39.59%0.08822%0.219CC..EExtended strand (participates in β ladder)trans-139.9139.5176.7-167.50000109.9S146 W194 I195 L221 M225S146-C182 CarbonylContact O-C 3.55Å; S146-C182 WeakPolarHBondContact O-CA 3.45Å; C182-W194 CarbonylContact O-C 3.54Å; C182-W194 VanDerWaalsContact O-CA 3.28Å; C182-W194 WeakPolarHBondContact O-CA 3.41Å; C182-I195 HydrophobicContact CB-CG2 4.03Å; C182-I195 PolarHBondContact N-O 3.24Å; C182-I195 VanDerWaalsContact N-O 3.1Å; C182-I195 PolarHBondContact O-N 2.78Å; C182-L221 HydrophobicContact CB-CD2 3.94Å; C182-L221 VanDerWaalsContact SG-CD2 3.51Å; C182-M225 HydrophobicContact CB-CG 3.95Å; C182-M225 HydrophobicContact CB-SD 3.72Å
183C98.7Very high97Very high0 Ų039.5 Ų39.50%022%0.219CC..EExtended strand (participates in β ladder)trans-137.6155.1174.465.10000112L145 S146 L148 P191 S193 W194L145-C183 WeakPolarHBondContact CA-O 3.28Å; S146-C183 PolarHBondContact N-O 2.57Å; S146-C183 PolarHBondContact O-N 2.9Å; L148-C183 HydrophobicContact CD2-CB 3.94Å; L148-C183 HydrophobicContact CG-CB 4.23Å; C183-P191 HydrophobicContact CB-CB 4.14Å; C183-S193 CarbonylContact C-O 3.59Å; C183-S193 WeakPolarHBondContact CA-O 3.38Å; C183-S193 VanDerWaalsContact CB-O 3.28Å; C183-S193 WeakPolarHBondContact CB-O 3.41Å; C183-W194 HydrophobicContact CB-CB 3.83Å
184V98.6Very high97.1Very high1 Ų134.7 Ų34.71%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-95.2130.4165.6176.50000108I143 C144 L145 P191 V192 S193 Y217 L221I143-V184 HydrophobicContact CG2-CB 4.4Å; I143-V184 HydrophobicContact CG2-CG1 3.82Å; I143-V184 HydrophobicContact CG2-CG2 3.76Å; C144-V184 WeakPolarHBondContact O-CA 3.45Å; L145-V184 HydrophobicContact CD2-CG2 3.78Å; V184-P191 WeakPolarHBondContact O-CA 3.45Å; V184-V192 HydrophobicContact CB-CG2 4.35Å; V184-V192 HydrophobicContact CG1-CG2 4.07Å; V184-V192 PolarHBondContact O-N 2.94Å; V184-S193 PolarHBondContact N-O 2.91Å; V184-Y217 HydrophobicContact CB-CG 4.32Å; V184-Y217 HydrophobicContact CG1-CD1 4.03Å; V184-Y217 HydrophobicContact CG1-CD2 4.22Å; V184-Y217 HydrophobicContact CG1-CE1 4.01Å; V184-Y217 HydrophobicContact CG1-CE2 4.18Å; V184-Y217 HydrophobicContact CG1-CG 4.14Å; V184-Y217 HydrophobicContact CG2-CD1 4.11Å; V184-Y217 HydrophobicContact CG2-CG 4.01Å; V184-L221 HydrophobicContact CG2-CD2 4.06Å; V184-L221 HydrophobicContact CG2-CG 4.22Å
185L98.3Very high97.2Very high32 Ų3234.1 Ų34.117%0.16820%0.198CC..EExtended strand (participates in β ladder)trans-96.9145.6175.1-55.4-177.6000111.1C144 K190 P191C144-L185 HydrophobicContact CB-CB 4.27Å; C144-L185 PolarHBondContact O-N 3.44Å; L185-K190 CarbonylContact C-O 3.54Å; L185-K190 WeakPolarHBondContact CA-O 3.49Å; L185-P191 HydrophobicContact CD2-CB 4.36Å; L185-P191 HydrophobicContact CD2-CG 3.94Å
186D96.4Very high97.3Very high45 Ų4533.9 Ų33.924%0.24120%0.197CC..  trans-79.3-175.4165.967.415.5000112.3E188 G189 K190 V192D186-E188 PolarHBondContact O-N 2.59Å; D186-E188 WeakPolarHBondContact OD1-CA 3.45Å; D186-E188 WeakPolarHBondContact OD1-CB 3.42Å; D186-E188 PolarHBondContact OD1-N 2.98Å; D186-G189 PolarHBondContact O-N 2.61Å; D186-G189 PolarHBondContact OD1-N 2.75Å; D186-K190 PolarHBondContact N-O 2.82Å; D186-K190 PolarHBondContact OD1-N 2.87Å; D186-V192 HydrophobicContact CB-CG1 3.78Å
187S94.9Very high97.4Very high130 Ų13033.5 Ų33.591%0.90920%0.195SC*.THydrogen-bonded Turntrans-65-18.417851.40000114.1
188E95Very high97.5Very high138 Ų13831.8 Ų31.865%0.64518%0.18SC*.THydrogen-bonded Turntrans-93.3-0.4175.6-60.8-176.9-17600112.1D186 K190D186-E188 PolarHBondContact O-N 2.59Å; D186-E188 WeakPolarHBondContact OD1-CA 3.45Å; D186-E188 WeakPolarHBondContact OD1-CB 3.42Å; D186-E188 PolarHBondContact OD1-N 2.98Å; E188-K190 HydrophobicContact CB-CD 4.49Å; E188-K190 HydrophobicContact CB-CG 4.5Å; E188-K190 WeakPolarHBondContact OE2-CE 3.32Å; E188-K190 IonicContact OE2-NZ 2.7Å; E188-K190 PolarHBondContact OE2-NZ 2.74Å
189G95Very high97.5Very high41 Ų4130 Ų3042%0.42317%0.171SC..SBendtrans79.616.9-177.600000114.1D186D186-G189 PolarHBondContact O-N 2.61Å; D186-G189 PolarHBondContact OD1-N 2.75Å
190K96.4Very high97.5Very high115 Ų11529.9 Ų29.950%0.517%0.17SC..  trans-91.8138.7178.4-66.2171.7179.7158.20111.4L185 D186 E188 V192L185-K190 CarbonylContact C-O 3.54Å; L185-K190 WeakPolarHBondContact CA-O 3.49Å; D186-K190 PolarHBondContact N-O 2.82Å; D186-K190 PolarHBondContact OD1-N 2.87Å; E188-K190 HydrophobicContact CB-CD 4.49Å; E188-K190 HydrophobicContact CB-CG 4.5Å; E188-K190 WeakPolarHBondContact OE2-CE 3.32Å; E188-K190 IonicContact OE2-NZ 2.7Å; E188-K190 PolarHBondContact OE2-NZ 2.74Å; K190-V192 PolarHBondContact O-N 2.85Å
191P98.3Very high97.6Very high8 Ų828.7 Ų28.75%0.05216%0.162CC..EExtended strand (participates in β ladder)trans-64.5124.5174.5-2233.1000112.7L148 H152 L155 C183 V184 L185 W194L148-P191 HydrophobicContact CD2-CB 4.09Å; L148-P191 HydrophobicContact CD2-CG 4.04Å; H152-P191 HydrophobicContact CB-CG 4.5Å; L155-P191 HydrophobicContact CD2-CB 4.21Å; C183-P191 HydrophobicContact CB-CB 4.14Å; V184-P191 WeakPolarHBondContact O-CA 3.45Å; L185-P191 HydrophobicContact CD2-CB 4.36Å; L185-P191 HydrophobicContact CD2-CG 3.94Å; P191-W194 HydrophobicContact CB-CE3 4.24Å
192V98.3Very high97.6Very high3 Ų328.3 Ų28.32%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-114.8-14.6178-61.50000113.8V184 D186 K190 L209 H212 Y217V184-V192 HydrophobicContact CB-CG2 4.35Å; V184-V192 HydrophobicContact CG1-CG2 4.07Å; V184-V192 PolarHBondContact O-N 2.94Å; D186-V192 HydrophobicContact CB-CG1 3.78Å; K190-V192 PolarHBondContact O-N 2.85Å; V192-L209 HydrophobicContact CB-CD1 4.18Å; V192-L209 HydrophobicContact CG1-CD1 4.16Å; V192-L209 PolarHBondContact O-N 3.43Å; V192-H212 HydrophobicContact CB-CB 4.21Å; V192-H212 HydrophobicContact CG2-CB 4.39Å; V192-Y217 HydrophobicContact CG2-CD2 4.32Å; V192-Y217 HydrophobicContact CG2-CE2 4.02Å
193S98.6Very high97.6Very high0 Ų027.9 Ų27.90%016%0.157CC..EExtended strand (participates in β ladder)trans-149.5139.7173.7-170.80000108C183 V184 Y207 T208 Y217 L221C183-S193 CarbonylContact C-O 3.59Å; C183-S193 WeakPolarHBondContact CA-O 3.38Å; C183-S193 VanDerWaalsContact CB-O 3.28Å; C183-S193 WeakPolarHBondContact CB-O 3.41Å; V184-S193 PolarHBondContact N-O 2.91Å; S193-Y207 CarbonylContact C-O 3.54Å; S193-Y207 VanDerWaalsContact CA-O 3.27Å; S193-Y207 WeakPolarHBondContact CA-O 3.28Å; S193-Y207 PolarHBondContact OG-O 2.72Å; S193-T208 PolarHBondContact OG-OG1 2.62Å; S193-Y217 WeakPolarHBondContact OG-CB 3.37Å; S193-L221 WeakPolarHBondContact OG-CD1 3.44Å
194W98.8Very high97.6Very high2 Ų228.4 Ų28.41%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-153.9161.4-178.85882.9000112.7L148 L155 T159 C182 C183 P191 L206 Y207 L209L148-W194 HydrophobicContact CD1-CB 3.88Å; L148-W194 HydrophobicContact CD1-CG 4.11Å; L148-W194 HydrophobicContact CD2-CB 4.13Å; L148-W194 HydrophobicContact CG-CB 4.22Å; L155-W194 HydrophobicContact CD1-CH2 4.13Å; L155-W194 HydrophobicContact CD2-CE3 4.42Å; L155-W194 HydrophobicContact CD2-CH2 4.14Å; L155-W194 HydrophobicContact CD2-CZ3 3.85Å; L155-W194 HydrophobicContact CG-CH2 3.93Å; L155-W194 HydrophobicContact CG-CZ3 4.18Å; T159-W194 HydrophobicContact CG2-CH2 4.2Å; T159-W194 HydrophobicContact CG2-CZ2 4.21Å; T159-W194 VanDerWaalsContact OG1-CZ2 3.32Å; T159-W194 WeakPolarHBondContact OG1-CZ2 3.41Å; C182-W194 CarbonylContact O-C 3.54Å; C182-W194 VanDerWaalsContact O-CA 3.28Å; C182-W194 WeakPolarHBondContact O-CA 3.41Å; C183-W194 HydrophobicContact CB-CB 3.83Å; P191-W194 HydrophobicContact CB-CE3 4.24Å; W194-L206 VanDerWaalsContact O-CA 3.32Å; W194-L206 WeakPolarHBondContact O-CA 3.28Å; W194-L206 WeakPolarHBondContact O-CD1 3.4Å; W194-Y207 AromaticContact CH2-CD1 3.53Å; W194-Y207 HydrophobicContact CH2-CD1 3.53Å; W194-Y207 HydrophobicContact CH2-CE1 4.18Å; W194-Y207 HydrophobicContact CH2-CG 4.41Å; W194-Y207 AromaticContact CZ2-CD1 3.4Å; W194-Y207 HydrophobicContact CZ2-CD1 3.4Å; W194-Y207 VanDerWaalsContact CZ2-CD1 3.4Å; W194-Y207 HydrophobicContact CZ2-CE1 4.31Å; W194-Y207 AromaticContact CZ2-CG 3.84Å; W194-Y207 HydrophobicContact CZ2-CG 3.84Å; W194-Y207 HydrophobicContact CZ3-CD1 4.38Å; W194-Y207 PolarHBondContact N-O 3.46Å; W194-Y207 PolarHBondContact O-N 3.21Å; W194-L209 HydrophobicContact CH2-CD2 4.09Å; W194-L209 HydrophobicContact CH2-CG 4.37Å; W194-L209 HydrophobicContact CZ3-CD2 4.39Å; W194-L209 HydrophobicContact CZ3-CG 4.21Å
195I98.8Very high97.5Very high0 Ų029.2 Ų29.20%017%0.166CC..EExtended strand (participates in β ladder)trans-141.5138.4172.3-169.2169.2000108.5C182 V203 L206 L221 I222 M225C182-I195 HydrophobicContact CB-CG2 4.03Å; C182-I195 PolarHBondContact N-O 3.24Å; C182-I195 VanDerWaalsContact N-O 3.1Å; C182-I195 PolarHBondContact O-N 2.78Å; I195-V203 HydrophobicContact CD1-CB 3.84Å; I195-V203 HydrophobicContact CD1-CG2 4.06Å; I195-V203 HydrophobicContact CG1-CB 4.26Å; I195-L206 HydrophobicContact CB-CD1 4.05Å; I195-L206 HydrophobicContact CD1-CB 4.28Å; I195-L206 HydrophobicContact CD1-CD1 4.37Å; I195-L206 HydrophobicContact CG1-CB 4.18Å; I195-L206 HydrophobicContact CG1-CD1 4.45Å; I195-L221 HydrophobicContact CB-CB 4.46Å; I195-L221 HydrophobicContact CG2-CB 3.88Å; I195-I222 HydrophobicContact CD1-CG1 4.33Å; I195-M225 HydrophobicContact CG2-CG 3.42Å; I195-M225 VanDerWaalsContact CG2-CG 3.42Å; I195-M225 HydrophobicContact CG2-SD 4.27Å
196L98.6Very high97.5Very high1 Ų129.7 Ų29.71%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-114174.1177.8-64.396.8000110.8L148 V156 M175 V176 V203 G204 M205L148-L196 HydrophobicContact CD1-CD1 3.86Å; L148-L196 HydrophobicContact CD1-CD2 4.08Å; L148-L196 HydrophobicContact CD1-CG 3.78Å; V156-L196 HydrophobicContact CG1-CD1 3.85Å; V156-L196 HydrophobicContact CG1-CD2 4.37Å; M175-L196 HydrophobicContact CB-CD2 3.91Å; M175-L196 HydrophobicContact CE-CB 3.63Å; M175-L196 HydrophobicContact CE-CD2 4.19Å; V176-L196 HydrophobicContact CG1-CD2 3.58Å; L196-V203 WeakPolarHBondContact O-CA 3.31Å; L196-G204 PolarHBondContact N-O 3.5Å; L196-G204 PolarHBondContact O-N 3.41Å; L196-G204 VanDerWaalsContact O-O 3.1Å; L196-M205 HydrophobicContact CB-CB 4.36Å; L196-M205 HydrophobicContact CD1-CB 3.59Å; L196-M205 HydrophobicContact CD1-CG 4.47Å; L196-M205 HydrophobicContact CD1-SD 4.23Å
197T98.4Very high97.6Very high1 Ų130.7 Ų30.71%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-116.8129.6174.3-55.60000108.8L31 M175 F179 P180 A202 M225 F229L31-T197 HydrophobicContact CD2-CG2 4.18Å; M175-T197 WeakPolarHBondContact CE-O 3.46Å; F179-T197 HydrophobicContact CB-CG2 4.45Å; F179-T197 WeakPolarHBondContact CD2-O 3.46Å; P180-T197 VanDerWaalsContact O-CB 3.31Å; P180-T197 WeakPolarHBondContact O-CB 3.01Å; P180-T197 PolarHBondContact O-OG1 2.98Å; T197-A202 WeakPolarHBondContact CA-O 3.07Å; T197-M225 VanDerWaalsContact OG1-CE 3.27Å; T197-M225 WeakPolarHBondContact OG1-CE 3.32Å; T197-F229 HydrophobicContact CG2-CE2 4.06Å; T197-F229 HydrophobicContact CG2-CZ 3.72Å; T197-F229 VanDerWaalsContact OG1-CZ 3.31Å; T197-F229 WeakPolarHBondContact OG1-CZ 3.23Å
198Y97.9Very high97.8Very high41 Ų4125.3 Ų25.316%0.16113%0.131CC..  trans-75.2164.3171.8-73-75.7000111.3L31 M175 Y200 C201 A202 M205L31-Y198 WeakPolarHBondContact CD2-O 3.33Å; M175-Y198 HydrophobicContact CE-CD1 3.77Å; M175-Y198 HydrophobicContact CE-CE1 4.03Å; M175-Y198 HydrophobicContact CE-CG 4.15Å; M175-Y198 HydrophobicContact SD-CD1 4.33Å; Y198-Y200 HydrophobicContact CD1-CE1 4.46Å; Y198-Y200 HydrophobicContact CD2-CE2 4.13Å; Y198-Y200 HydrophobicContact CG-CE1 4.22Å; Y198-Y200 HydrophobicContact CG-CE2 4.04Å; Y198-Y200 AromaticContact CG-CZ 3.68Å; Y198-Y200 PolarHBondContact O-N 3Å; Y198-C201 PolarHBondContact O-N 3.18Å; Y198-A202 HydrophobicContact CD2-CB 4.42Å; Y198-A202 PolarHBondContact N-O 2.96Å; Y198-M205 HydrophobicContact CE1-CE 3.62Å; Y198-M205 HydrophobicContact CE1-CG 4.37Å; Y198-M205 WeakPolarHBondContact OH-CG 3.27Å
199V96.9Very high97.9Very high16 Ų1620.2 Ų20.210%0.09711%0.108CC..THydrogen-bonded Turntrans-57.9-23.6179.271.90000113.3F28 Y40 M70 F179 C201F28-V199 HydrophobicContact CD2-CG2 3.92Å; F28-V199 WeakPolarHBondContact CD2-O 3.44Å; F28-V199 HydrophobicContact CE2-CG2 3.88Å; Y40-V199 HydrophobicContact CD2-CG2 4.44Å; Y40-V199 HydrophobicContact CE2-CG2 3.88Å; M70-V199 HydrophobicContact CE-CG1 4.15Å; M70-V199 HydrophobicContact SD-CG1 4.4Å; F179-V199 HydrophobicContact CE2-CB 4.04Å; F179-V199 HydrophobicContact CE2-CG2 4.32Å; F179-V199 HydrophobicContact CZ-CB 4.21Å; F179-V199 HydrophobicContact CZ-CG2 3.97Å; V199-C201 VanDerWaalsContact C-N 3.32Å
200Y97.1Very high98Very high7 Ų721.6 Ų21.63%0.02711%0.11CC..THydrogen-bonded Turntrans-91.920.2174.644.4-94.7000114.1K24 G27 D68 M70 Y198 A202 F237 F239K24-Y200 HydrophobicContact CD-CG 4.44Å; K24-Y200 HydrophobicContact CG-CD1 4.4Å; K24-Y200 HydrophobicContact CG-CD2 3.98Å; K24-Y200 HydrophobicContact CG-CG 3.81Å; K24-Y200 WeakPolarHBondContact O-CB 3.47Å; G27-Y200 CarbonylContact C-O 3.6Å; G27-Y200 WeakPolarHBondContact CA-O 3.26Å; D68-Y200 WeakPolarHBondContact OD2-CE1 3.42Å; M70-Y200 HydrophobicContact CG-CD1 4.32Å; M70-Y200 HydrophobicContact SD-CD1 3.56Å; M70-Y200 VanDerWaalsContact SD-CD1 3.56Å; M70-Y200 HydrophobicContact SD-CG 4.01Å; Y198-Y200 HydrophobicContact CD1-CE1 4.46Å; Y198-Y200 HydrophobicContact CD2-CE2 4.13Å; Y198-Y200 HydrophobicContact CG-CE1 4.22Å; Y198-Y200 HydrophobicContact CG-CE2 4.04Å; Y198-Y200 AromaticContact CG-CZ 3.68Å; Y198-Y200 PolarHBondContact O-N 3Å; Y200-A202 HydrophobicContact CD2-CB 3.52Å; Y200-A202 HydrophobicContact CE2-CB 3.41Å; Y200-A202 VanDerWaalsContact CE2-CB 3.41Å; Y200-A202 PolarHBondContact O-N 3.42Å; Y200-A202 VanDerWaalsContact O-N 3.08Å; Y200-F237 HydrophobicContact CD2-CZ 4.44Å; Y200-F237 WeakPolarHBondContact O-CZ 3.26Å; Y200-F239 AromaticContact CD2-CE2 3.97Å; Y200-F239 HydrophobicContact CD2-CE2 3.97Å; Y200-F239 AromaticContact CE2-CD2 3.74Å; Y200-F239 HydrophobicContact CE2-CD2 3.74Å; Y200-F239 AromaticContact CE2-CE2 3.58Å; Y200-F239 HydrophobicContact CE2-CE2 3.58Å
201C97.9Very high98Very high0 Ų022 Ų220%011%0.114CC..SBendtrans68.9-2.4176.5-156.80000115.7G27 L31 Y198 V199 V203 F229 F237G27-C201 VanDerWaalsContact O-CB 3.29Å; G27-C201 WeakPolarHBondContact O-CB 3.31Å; L31-C201 HydrophobicContact CB-CB 4.05Å; L31-C201 HydrophobicContact CD2-CB 4.44Å; Y198-C201 PolarHBondContact O-N 3.18Å; V199-C201 VanDerWaalsContact C-N 3.32Å; C201-V203 PolarHBondContact O-N 2.95Å; C201-F229 WeakPolarHBondContact O-CE2 3.29Å; C201-F237 HydrophobicContact CB-CE1 4.37Å
202A98.4Very high97.9Very high0 Ų023.3 Ų23.30%012%0.119CC..  trans-66.5136.1172.300000110.8T197 Y198 Y200 F237 F239T197-A202 WeakPolarHBondContact CA-O 3.07Å; Y198-A202 HydrophobicContact CD2-CB 4.42Å; Y198-A202 PolarHBondContact N-O 2.96Å; Y200-A202 HydrophobicContact CD2-CB 3.52Å; Y200-A202 HydrophobicContact CE2-CB 3.41Å; Y200-A202 VanDerWaalsContact CE2-CB 3.41Å; Y200-A202 PolarHBondContact O-N 3.42Å; Y200-A202 VanDerWaalsContact O-N 3.08Å; A202-F237 CarbonylContact C-O 3.53Å; A202-F237 VanDerWaalsContact CA-O 3.32Å; A202-F237 WeakPolarHBondContact CA-O 3.37Å; A202-F237 HydrophobicContact CB-CD2 4.02Å; A202-F237 HydrophobicContact CB-CE1 4.38Å; A202-F237 HydrophobicContact CB-CE2 3.69Å; A202-F237 HydrophobicContact CB-CZ 3.89Å; A202-F239 HydrophobicContact CB-CD2 4.11Å; A202-F239 HydrophobicContact CB-CE2 4.23Å
203V98.6Very high97.9Very high4 Ų429.9 Ų29.92%0.02414%0.143CC..EExtended strand (participates in β ladder)trans-76.3140.3168.3-60.10000109.6I195 L196 C201 M225 F229 F237 C238 F251I195-V203 HydrophobicContact CD1-CB 3.84Å; I195-V203 HydrophobicContact CD1-CG2 4.06Å; I195-V203 HydrophobicContact CG1-CB 4.26Å; L196-V203 WeakPolarHBondContact O-CA 3.31Å; C201-V203 PolarHBondContact O-N 2.95Å; V203-M225 HydrophobicContact CG1-CB 4.29Å; V203-M225 HydrophobicContact CG1-CE 3.98Å; V203-F229 HydrophobicContact CG1-CE2 4.1Å; V203-F229 HydrophobicContact CG1-CZ 4.18Å; V203-F237 PolarHBondContact N-O 2.8Å; V203-C238 HydrophobicContact CG2-CB 3.94Å; V203-C238 WeakPolarHBondContact O-CB 3.37Å; V203-F251 HydrophobicContact CG2-CE1 4.26Å
204G97.5Very high97.6Very high11 Ų1134.1 Ų34.111%0.11319%0.187CC..EExtended strand (participates in β ladder)trans-173.7-170.7-172.600000113L196 L206L196-G204 PolarHBondContact N-O 3.5Å; L196-G204 PolarHBondContact O-N 3.41Å; L196-G204 VanDerWaalsContact O-O 3.1Å; G204-L206 PolarHBondContact O-N 3.46Å
205M97.4Very high97.5Very high19 Ų1939.2 Ų39.29%0.09421%0.209CC..EExtended strand (participates in β ladder)trans48.233-169.1-58.7-167.9-178.200112.4V156 W160 M171 I172 M175 L196 Y198 Y207V156-M205 HydrophobicContact CG1-SD 4.32Å; W160-M205 HydrophobicContact CD2-CE 3.7Å; W160-M205 HydrophobicContact CD2-SD 4.27Å; W160-M205 VanDerWaalsContact CE2-CE 3.48Å; W160-M205 HydrophobicContact CE3-CE 3.92Å; W160-M205 HydrophobicContact CG-CE 4.36Å; W160-M205 HydrophobicContact CG-SD 4.34Å; W160-M205 HydrophobicContact CH2-CE 3.77Å; W160-M205 HydrophobicContact CZ2-CE 3.5Å; W160-M205 HydrophobicContact CZ3-CE 3.96Å; M171-M205 HydrophobicContact CE-CE 3.53Å; I172-M205 HydrophobicContact CG1-CE 4.19Å; I172-M205 HydrophobicContact CG1-SD 4.26Å; M175-M205 HydrophobicContact CE-CE 3.92Å; M175-M205 HydrophobicContact CE-CG 4.38Å; M175-M205 HydrophobicContact CE-SD 3.91Å; M175-M205 HydrophobicContact SD-CE 3.82Å; M175-M205 HydrophobicContact SD-SD 4.24Å; L196-M205 HydrophobicContact CB-CB 4.36Å; L196-M205 HydrophobicContact CD1-CB 3.59Å; L196-M205 HydrophobicContact CD1-CG 4.47Å; L196-M205 HydrophobicContact CD1-SD 4.23Å; Y198-M205 HydrophobicContact CE1-CE 3.62Å; Y198-M205 HydrophobicContact CE1-CG 4.37Å; Y198-M205 WeakPolarHBondContact OH-CG 3.27Å; M205-Y207 PolarHBondContact O-N 2.78Å
206L98.4Very high97.3Very high41 Ų4140.9 Ų40.922%0.21523%0.227CC..EExtended strand (participates in β ladder)trans-64.6120.3175.717363.5000108W194 I195 G204 A218 L221 I222 L250 F251W194-L206 VanDerWaalsContact O-CA 3.32Å; W194-L206 WeakPolarHBondContact O-CA 3.28Å; W194-L206 WeakPolarHBondContact O-CD1 3.4Å; I195-L206 HydrophobicContact CB-CD1 4.05Å; I195-L206 HydrophobicContact CD1-CB 4.28Å; I195-L206 HydrophobicContact CD1-CD1 4.37Å; I195-L206 HydrophobicContact CG1-CB 4.18Å; I195-L206 HydrophobicContact CG1-CD1 4.45Å; G204-L206 PolarHBondContact O-N 3.46Å; L206-A218 HydrophobicContact CD1-CB 4.06Å; L206-A218 HydrophobicContact CD2-CB 4.03Å; L206-A218 HydrophobicContact CG-CB 4.42Å; L206-L221 HydrophobicContact CD1-CD1 4.15Å; L206-I222 HydrophobicContact CD2-CD1 3.84Å; L206-I222 HydrophobicContact CD2-CG1 4.12Å; L206-L250 HydrophobicContact CD2-CD2 3.85Å; L206-F251 HydrophobicContact CD2-CE2 3.97Å; L206-F251 HydrophobicContact CD2-CZ 4.27Å
207Y98.3Very high97.3Very high67 Ų6743 Ų4326%0.26324%0.235SC..EExtended strand (participates in β ladder)trans-142.1150.4-179.6-165.7-91.2000110.9T159 S193 W194 M205 L209T159-Y207 HydrophobicContact CG2-CE1 4.27Å; S193-Y207 CarbonylContact C-O 3.54Å; S193-Y207 VanDerWaalsContact CA-O 3.27Å; S193-Y207 WeakPolarHBondContact CA-O 3.28Å; S193-Y207 PolarHBondContact OG-O 2.72Å; W194-Y207 AromaticContact CH2-CD1 3.53Å; W194-Y207 HydrophobicContact CH2-CD1 3.53Å; W194-Y207 HydrophobicContact CH2-CE1 4.18Å; W194-Y207 HydrophobicContact CH2-CG 4.41Å; W194-Y207 AromaticContact CZ2-CD1 3.4Å; W194-Y207 HydrophobicContact CZ2-CD1 3.4Å; W194-Y207 VanDerWaalsContact CZ2-CD1 3.4Å; W194-Y207 HydrophobicContact CZ2-CE1 4.31Å; W194-Y207 AromaticContact CZ2-CG 3.84Å; W194-Y207 HydrophobicContact CZ2-CG 3.84Å; W194-Y207 HydrophobicContact CZ3-CD1 4.38Å; W194-Y207 PolarHBondContact N-O 3.46Å; W194-Y207 PolarHBondContact O-N 3.21Å; M205-Y207 PolarHBondContact O-N 2.78Å; Y207-L209 HydrophobicContact CE1-CD2 4.18Å
208T98.3Very high97.3Very high17 Ų1743.9 Ų43.910%0.10424%0.242CC..EExtended strand (participates in β ladder)trans-138.8126.9171.2-57.10000107.6S193 H212 R213 Y217S193-T208 PolarHBondContact OG-OG1 2.62Å; T208-H212 HydrophobicContact CG2-CB 3.96Å; T208-H212 WeakPolarHBondContact CG2-O 3.38Å; T208-R213 HydrophobicContact CG2-CG 4.03Å; T208-R213 PolarHBondContact O-NE 2.69Å; T208-Y217 HydrophobicContact CG2-CD2 4.43Å
209L97.6Very high97.3Very high30 Ų3047 Ų4716%0.15726%0.256CS..  trans-52136.9176.3-69.1177.8000109.6V192 W194 Y207 E211 H212 R213V192-L209 HydrophobicContact CB-CD1 4.18Å; V192-L209 HydrophobicContact CG1-CD1 4.16Å; V192-L209 PolarHBondContact O-N 3.43Å; W194-L209 HydrophobicContact CH2-CD2 4.09Å; W194-L209 HydrophobicContact CH2-CG 4.37Å; W194-L209 HydrophobicContact CZ3-CD2 4.39Å; W194-L209 HydrophobicContact CZ3-CG 4.21Å; Y207-L209 HydrophobicContact CE1-CD2 4.18Å; L209-E211 VanDerWaalsContact C-N 3.27Å; L209-E211 PolarHBondContact O-N 2.85Å; L209-E211 VanDerWaalsContact O-N 3.14Å; L209-H212 WeakPolarHBondContact O-CA 3.31Å; L209-H212 PolarHBondContact O-N 3.15Å; L209-R213 PolarHBondContact O-N 3.23Å
210P97.1Very high97.4Very high71 Ų7146.3 Ų46.346%0.46125%0.252SS..G310 helixtrans-46.6-45.6-173.9-30.536000114.9H212 R213P210-H212 PolarHBondContact O-N 2.94Å; P210-R213 WeakPolarHBondContact O-CB 3.48Å; P210-R213 PolarHBondContact O-N 3.15Å
211E97Very high97.5Very high124 Ų12446 Ų4658%0.57925%0.251SS*.G310 helixtrans-71.5-10.1-179.364.4-81.3-167.200114.2L209 K215L209-E211 VanDerWaalsContact C-N 3.27Å; L209-E211 PolarHBondContact O-N 2.85Å; L209-E211 VanDerWaalsContact O-N 3.14Å; E211-K215 PolarHBondContact O-NZ 2.69Å
212H96.9Very high97.5Very high34 Ų3446.1 Ų46.116%0.15725%0.252CS..G310 helixtrans-108.53.5175-67.6-89.1000113.8V192 T208 L209 P210 Y217V192-H212 HydrophobicContact CB-CB 4.21Å; V192-H212 HydrophobicContact CG2-CB 4.39Å; T208-H212 HydrophobicContact CG2-CB 3.96Å; T208-H212 WeakPolarHBondContact CG2-O 3.38Å; L209-H212 WeakPolarHBondContact O-CA 3.31Å; L209-H212 PolarHBondContact O-N 3.15Å; P210-H212 PolarHBondContact O-N 2.94Å; H212-Y217 HydrophobicContact CB-CD2 4.23Å; H212-Y217 HydrophobicContact CB-CE2 4.01Å
213R96.4Very high97.5Very high142 Ų14246.3 Ų46.354%0.53625%0.253SS..THydrogen-bonded Turntrans-71.3160178.3-66.3177.8-174.3167.82.3112.1T208 L209 P210 K215T208-R213 HydrophobicContact CG2-CG 4.03Å; T208-R213 PolarHBondContact O-NE 2.69Å; L209-R213 PolarHBondContact O-N 3.23Å; P210-R213 WeakPolarHBondContact O-CB 3.48Å; P210-R213 PolarHBondContact O-N 3.15Å; R213-K215 PolarHBondContact O-N 2.61Å
214G94.2Very high97.4Very high89 Ų8947.9 Ų47.992%0.91826%0.264SS*.THydrogen-bonded Turntrans77.4-4.3-179.700000115.1
215K95.1Very high97.5Very high108 Ų10847.5 Ų47.547%0.4726%0.259SS..SBendtrans-907-178.4-57.3179-174.2172.20114.4E211 R213 Y217E211-K215 PolarHBondContact O-NZ 2.69Å; R213-K215 PolarHBondContact O-N 2.61Å; K215-Y217 VanDerWaalsContact C-N 3.29Å; K215-Y217 HydrophobicContact CB-CD1 4.28Å; K215-Y217 HydrophobicContact CB-CD2 4.27Å; K215-Y217 HydrophobicContact CB-CE1 4.03Å; K215-Y217 HydrophobicContact CB-CE2 4.02Å; K215-Y217 HydrophobicContact CB-CG 4.4Å; K215-Y217 HydrophobicContact CD-CE2 3.89Å; K215-Y217 PolarHBondContact O-N 2.9Å
216G96Very high97.5Very high36 Ų3646.6 Ų46.637%0.37126%0.255SS..SBendtrans78.7-2.5179.300000116.3A218 K219 V220G216-A218 VanDerWaalsContact C-N 3.33Å; G216-A218 PolarHBondContact O-N 2.85Å; G216-K219 WeakPolarHBondContact O-CB 3.32Å; G216-K219 PolarHBondContact O-N 3.25Å; G216-V220 PolarHBondContact O-N 3.02Å
217Y98.2Very high97.5Very high45 Ų4550.4 Ų50.418%0.17627%0.27CS..Hα-helixtrans-52.6-44.1-176.4-62.6-23.3000114.4I143 V184 V192 S193 T208 H212 K215 K219 V220 L221I143-Y217 HydrophobicContact CD1-CD1 3.95Å; I143-Y217 HydrophobicContact CD1-CE1 4.01Å; I143-Y217 HydrophobicContact CG1-CD1 4.46Å; I143-Y217 HydrophobicContact CG1-CE1 4.12Å; I143-Y217 HydrophobicContact CG2-CD1 4.48Å; V184-Y217 HydrophobicContact CB-CG 4.32Å; V184-Y217 HydrophobicContact CG1-CD1 4.03Å; V184-Y217 HydrophobicContact CG1-CD2 4.22Å; V184-Y217 HydrophobicContact CG1-CE1 4.01Å; V184-Y217 HydrophobicContact CG1-CE2 4.18Å; V184-Y217 HydrophobicContact CG1-CG 4.14Å; V184-Y217 HydrophobicContact CG2-CD1 4.11Å; V184-Y217 HydrophobicContact CG2-CG 4.01Å; V192-Y217 HydrophobicContact CG2-CD2 4.32Å; V192-Y217 HydrophobicContact CG2-CE2 4.02Å; S193-Y217 WeakPolarHBondContact OG-CB 3.37Å; T208-Y217 HydrophobicContact CG2-CD2 4.43Å; H212-Y217 HydrophobicContact CB-CD2 4.23Å; H212-Y217 HydrophobicContact CB-CE2 4.01Å; K215-Y217 VanDerWaalsContact C-N 3.29Å; K215-Y217 HydrophobicContact CB-CD1 4.28Å; K215-Y217 HydrophobicContact CB-CD2 4.27Å; K215-Y217 HydrophobicContact CB-CE1 4.03Å; K215-Y217 HydrophobicContact CB-CE2 4.02Å; K215-Y217 HydrophobicContact CB-CG 4.4Å; K215-Y217 HydrophobicContact CD-CE2 3.89Å; K215-Y217 PolarHBondContact O-N 2.9Å; Y217-K219 VanDerWaalsContact C-N 3.28Å; Y217-K219 PolarHBondContact O-N 2.95Å; Y217-V220 WeakPolarHBondContact O-CB 3.27Å; Y217-V220 PolarHBondContact O-N 3.2Å; Y217-V220 VanDerWaalsContact O-N 3.11Å; Y217-L221 WeakPolarHBondContact O-CG 3.43Å; Y217-L221 PolarHBondContact O-N 2.87Å
218A98.2Very high97.4Very high19 Ų1950.5 Ų50.516%0.15728%0.275CS..Hα-helixtrans-58.9-38.3178.100000112.8L206 G216 L221 I222 L250L206-A218 HydrophobicContact CD1-CB 4.06Å; L206-A218 HydrophobicContact CD2-CB 4.03Å; L206-A218 HydrophobicContact CG-CB 4.42Å; G216-A218 VanDerWaalsContact C-N 3.33Å; G216-A218 PolarHBondContact O-N 2.85Å; A218-L221 PolarHBondContact O-N 3.15Å; A218-I222 WeakPolarHBondContact O-CD1 3.1Å; A218-I222 VanDerWaalsContact O-CG1 3.22Å; A218-I222 WeakPolarHBondContact O-CG1 3.48Å; A218-I222 PolarHBondContact O-N 2.97Å; A218-L250 HydrophobicContact CB-CD2 3.82Å
219K98.2Very high97.4Very high106 Ų10649.7 Ų49.746%0.46127%0.27SS..Hα-helixtrans-65.4-43.5176.2-65.4-178.9177.9-177.70111I138 G216 Y217 L221 I222 S223 L250 M254I138-K219 HydrophobicContact CD1-CB 3.86Å; I138-K219 WeakPolarHBondContact CD1-O 3.29Å; I138-K219 HydrophobicContact CG1-CB 4.43Å; G216-K219 WeakPolarHBondContact O-CB 3.32Å; G216-K219 PolarHBondContact O-N 3.25Å; Y217-K219 VanDerWaalsContact C-N 3.28Å; Y217-K219 PolarHBondContact O-N 2.95Å; K219-L221 VanDerWaalsContact C-N 3.34Å; K219-L221 PolarHBondContact O-N 3.2Å; K219-I222 PolarHBondContact O-N 2.91Å; K219-S223 WeakPolarHBondContact O-CB 3.45Å; K219-S223 PolarHBondContact O-N 3.23Å; K219-L250 HydrophobicContact CD-CD1 4.48Å; K219-L250 HydrophobicContact CG-CD1 3.57Å; K219-M254 HydrophobicContact CB-CE 4.47Å; K219-M254 HydrophobicContact CB-SD 3.94Å; K219-M254 HydrophobicContact CD-SD 4.5Å; K219-M254 HydrophobicContact CG-SD 3.99Å; K219-M254 WeakPolarHBondContact O-CE 3.26Å
220V98.3Very high97.4Very high3 Ų350.9 Ų50.92%0.01828%0.281CS..Hα-helixtrans-60.4-45.5177.6178.70000110.6I138 C140 I143 L145 G216 Y217 S223 S224I138-V220 HydrophobicContact CG2-CB 4.4Å; I138-V220 HydrophobicContact CG2-CG2 3.49Å; I138-V220 VanDerWaalsContact CG2-CG2 3.49Å; C140-V220 HydrophobicContact CB-CG1 4.23Å; I143-V220 HydrophobicContact CD1-CG2 3.66Å; I143-V220 HydrophobicContact CG2-CG1 4.38Å; L145-V220 HydrophobicContact CD1-CG1 3.94Å; L145-V220 HydrophobicContact CD2-CG1 3.92Å; L145-V220 HydrophobicContact CG-CG1 4.36Å; G216-V220 PolarHBondContact O-N 3.02Å; Y217-V220 WeakPolarHBondContact O-CB 3.27Å; Y217-V220 PolarHBondContact O-N 3.2Å; Y217-V220 VanDerWaalsContact O-N 3.11Å; V220-S223 PolarHBondContact O-N 2.67Å; V220-S224 VanDerWaalsContact O-CB 3.31Å; V220-S224 WeakPolarHBondContact O-CB 3.02Å; V220-S224 PolarHBondContact O-N 2.78Å; V220-S224 PolarHBondContact O-OG 2.83Å
221L98.6Very high97.3Very high0 Ų050.9 Ų50.90%029%0.294CS..Hα-helixtrans-63.5-47.2178-68178.7000112.4L145 C182 V184 S193 I195 L206 Y217 A218 K219 S223 S224 M225L145-L221 HydrophobicContact CD2-CD2 3.96Å; C182-L221 HydrophobicContact CB-CD2 3.94Å; C182-L221 VanDerWaalsContact SG-CD2 3.51Å; V184-L221 HydrophobicContact CG2-CD2 4.06Å; V184-L221 HydrophobicContact CG2-CG 4.22Å; S193-L221 WeakPolarHBondContact OG-CD1 3.44Å; I195-L221 HydrophobicContact CB-CB 4.46Å; I195-L221 HydrophobicContact CG2-CB 3.88Å; L206-L221 HydrophobicContact CD1-CD1 4.15Å; Y217-L221 WeakPolarHBondContact O-CG 3.43Å; Y217-L221 PolarHBondContact O-N 2.87Å; A218-L221 PolarHBondContact O-N 3.15Å; K219-L221 VanDerWaalsContact C-N 3.34Å; K219-L221 PolarHBondContact O-N 3.2Å; L221-S223 VanDerWaalsContact C-N 3.35Å; L221-S223 PolarHBondContact O-N 3.18Å; L221-S224 PolarHBondContact O-N 2.92Å; L221-M225 WeakPolarHBondContact O-CB 3.18Å; L221-M225 WeakPolarHBondContact O-CG 3.49Å; L221-M225 PolarHBondContact O-N 3.12Å
222I98.6Very high97.2Very high3 Ų349.5 Ų49.52%0.01529%0.288CS..Hα-helixtrans-58.5-47.6176-68.3164000110.3I195 L206 A218 K219 S224 M225 A226 L250 F251 M254 F256I195-I222 HydrophobicContact CD1-CG1 4.33Å; L206-I222 HydrophobicContact CD2-CD1 3.84Å; L206-I222 HydrophobicContact CD2-CG1 4.12Å; A218-I222 WeakPolarHBondContact O-CD1 3.1Å; A218-I222 VanDerWaalsContact O-CG1 3.22Å; A218-I222 WeakPolarHBondContact O-CG1 3.48Å; A218-I222 PolarHBondContact O-N 2.97Å; K219-I222 PolarHBondContact O-N 2.91Å; I222-S224 PolarHBondContact O-N 3.1Å; I222-M225 PolarHBondContact O-N 2.97Å; I222-A226 WeakPolarHBondContact O-CB 3.33Å; I222-A226 PolarHBondContact O-N 3.38Å; I222-L250 HydrophobicContact CD1-CD1 4.33Å; I222-L250 HydrophobicContact CD1-CD2 3.76Å; I222-L250 HydrophobicContact CD1-CG 3.79Å; I222-F251 HydrophobicContact CD1-CD1 4.24Å; I222-F251 HydrophobicContact CD1-CD2 4.2Å; I222-F251 HydrophobicContact CD1-CE1 3.93Å; I222-F251 HydrophobicContact CD1-CE2 3.89Å; I222-F251 HydrophobicContact CD1-CG 4.38Å; I222-F251 HydrophobicContact CD1-CZ 3.74Å; I222-F251 HydrophobicContact CG1-CE1 3.92Å; I222-F251 HydrophobicContact CG1-CE2 4.45Å; I222-F251 HydrophobicContact CG1-CZ 3.83Å; I222-F251 HydrophobicContact CG2-CD1 4.39Å; I222-F251 HydrophobicContact CG2-CE1 4.11Å; I222-M254 HydrophobicContact CB-CE 3.98Å; I222-M254 HydrophobicContact CD1-CG 4.33Å; I222-M254 HydrophobicContact CG2-CB 4.19Å; I222-M254 HydrophobicContact CG2-CE 3.75Å; I222-M254 HydrophobicContact CG2-CG 4.17Å; I222-F256 HydrophobicContact CG2-CE2 3.72Å; I222-F256 HydrophobicContact CG2-CZ 4.11Å
223S98.1Very high97.1Very high4 Ų449.9 Ų49.93%0.02830%0.301CS..Hα-helixtrans-62.2-44.1179.7-168.10000112.1K219 V220 L221 A226 K227K219-S223 WeakPolarHBondContact O-CB 3.45Å; K219-S223 PolarHBondContact O-N 3.23Å; V220-S223 PolarHBondContact O-N 2.67Å; L221-S223 VanDerWaalsContact C-N 3.35Å; L221-S223 PolarHBondContact O-N 3.18Å; S223-A226 PolarHBondContact O-N 3.49Å; S223-K227 WeakPolarHBondContact O-CB 3.38Å; S223-K227 VanDerWaalsContact O-CG 3.28Å; S223-K227 WeakPolarHBondContact O-CG 3.47Å; S223-K227 PolarHBondContact O-N 2.62Å; S223-K227 WeakPolarHBondContact OG-CE 3.22Å; S223-K227 PolarHBondContact OG-NZ 3.02Å
224S97.9Very high97.1Very high37 Ų3743.8 Ų43.826%0.25928%0.278SS..Hα-helixtrans-65.1-45.9-179-57.60000111.1L145 V220 L221 I222 N228L145-S224 WeakPolarHBondContact CD1-OG 3.47Å; V220-S224 VanDerWaalsContact O-CB 3.31Å; V220-S224 WeakPolarHBondContact O-CB 3.02Å; V220-S224 PolarHBondContact O-N 2.78Å; V220-S224 PolarHBondContact O-OG 2.83Å; L221-S224 PolarHBondContact O-N 2.92Å; I222-S224 PolarHBondContact O-N 3.1Å; S224-N228 VanDerWaalsContact O-CB 3.26Å; S224-N228 WeakPolarHBondContact O-CB 3Å; S224-N228 PolarHBondContact O-N 2.65Å
225M98.3Very high97.3Very high2 Ų240.6 Ų40.61%0.0124%0.241CC..Hα-helixtrans-64.3-46.2175.7-72.1-65.2-7600111.9P180 C182 I195 T197 V203 L221 I222 K227 N228 F229P180-M225 HydrophobicContact CB-CE 4.2Å; C182-M225 HydrophobicContact CB-CG 3.95Å; C182-M225 HydrophobicContact CB-SD 3.72Å; I195-M225 HydrophobicContact CG2-CG 3.42Å; I195-M225 VanDerWaalsContact CG2-CG 3.42Å; I195-M225 HydrophobicContact CG2-SD 4.27Å; T197-M225 VanDerWaalsContact OG1-CE 3.27Å; T197-M225 WeakPolarHBondContact OG1-CE 3.32Å; V203-M225 HydrophobicContact CG1-CB 4.29Å; V203-M225 HydrophobicContact CG1-CE 3.98Å; L221-M225 WeakPolarHBondContact O-CB 3.18Å; L221-M225 WeakPolarHBondContact O-CG 3.49Å; L221-M225 PolarHBondContact O-N 3.12Å; I222-M225 PolarHBondContact O-N 2.97Å; M225-K227 PolarHBondContact O-N 2.96Å; M225-N228 PolarHBondContact O-N 2.95Å; M225-F229 HydrophobicContact CE-CD1 4.29Å; M225-F229 HydrophobicContact CE-CE1 3.39Å; M225-F229 HydrophobicContact CE-CZ 3.77Å; M225-F229 WeakPolarHBondContact O-CB 3.49Å; M225-F229 WeakPolarHBondContact O-CD1 3.39Å; M225-F229 PolarHBondContact O-N 3.25Å; M225-F229 HydrophobicContact SD-CE1 4.29Å
226A98.4Very high97.5Very high1 Ų136 Ų361%0.00822%0.222CC..Hα-helixtrans-59.9-44.3179.800000112.5L129 L135 I222 S223 F229 S230 V236L129-A226 HydrophobicContact CD2-CB 3.65Å; L135-A226 HydrophobicContact CD1-CB 3.81Å; L135-A226 HydrophobicContact CD2-CB 4.31Å; I222-A226 WeakPolarHBondContact O-CB 3.33Å; I222-A226 PolarHBondContact O-N 3.38Å; S223-A226 PolarHBondContact O-N 3.49Å; A226-F229 PolarHBondContact O-N 3.27Å; A226-S230 VanDerWaalsContact O-CB 3.28Å; A226-S230 WeakPolarHBondContact O-CB 3.37Å; A226-S230 PolarHBondContact O-N 2.98Å; A226-V236 HydrophobicContact CB-CG1 3.85Å
227K97.7Very high97.6Very high121 Ų12134.3 Ų34.353%0.52621%0.205SC..Hα-helixtrans-63.9-44.9175.3-72.3170.6-178.7171.60112V132 L135 S223 M225 F229 G231V132-K227 HydrophobicContact CG2-CG 3.94Å; L135-K227 HydrophobicContact CD1-CG 4.1Å; S223-K227 WeakPolarHBondContact O-CB 3.38Å; S223-K227 VanDerWaalsContact O-CG 3.28Å; S223-K227 WeakPolarHBondContact O-CG 3.47Å; S223-K227 PolarHBondContact O-N 2.62Å; S223-K227 WeakPolarHBondContact OG-CE 3.22Å; S223-K227 PolarHBondContact OG-NZ 3.02Å; M225-K227 PolarHBondContact O-N 2.96Å; K227-F229 VanDerWaalsContact C-N 3.34Å; K227-F229 PolarHBondContact O-N 3.43Å; K227-G231 PolarHBondContact O-N 2.85Å
228N96.8Very high97.6Very high69 Ų6932.3 Ų32.337%0.36920%0.197SC..Hα-helixtrans-60.3-45.1177.3-173.816.9000111.5S224 M225 G231 Q232S224-N228 VanDerWaalsContact O-CB 3.26Å; S224-N228 WeakPolarHBondContact O-CB 3Å; S224-N228 PolarHBondContact O-N 2.65Å; M225-N228 PolarHBondContact O-N 2.95Å; N228-G231 PolarHBondContact O-N 2.7Å; N228-Q232 WeakPolarHBondContact O-CG 2.75Å; N228-Q232 PolarHBondContact O-N 3.34Å; N228-Q232 PolarHBondContact OD1-NE2 2.95Å
229F98Very high97.6Very high0 Ų032.9 Ų32.90%020%0.196CC..Hα-helixtrans-67.5-49.4-178-86.345.7000111.7P180 T197 C201 V203 M225 A226 K227 G231 Q232 G233 Y234 V236P180-F229 HydrophobicContact CB-CE1 3.61Å; P180-F229 HydrophobicContact CB-CZ 4.07Å; P180-F229 HydrophobicContact CG-CE1 4.03Å; P180-F229 HydrophobicContact CG-CZ 4.26Å; T197-F229 HydrophobicContact CG2-CE2 4.06Å; T197-F229 HydrophobicContact CG2-CZ 3.72Å; T197-F229 VanDerWaalsContact OG1-CZ 3.31Å; T197-F229 WeakPolarHBondContact OG1-CZ 3.23Å; C201-F229 WeakPolarHBondContact O-CE2 3.29Å; V203-F229 HydrophobicContact CG1-CE2 4.1Å; V203-F229 HydrophobicContact CG1-CZ 4.18Å; M225-F229 HydrophobicContact CE-CD1 4.29Å; M225-F229 HydrophobicContact CE-CE1 3.39Å; M225-F229 HydrophobicContact CE-CZ 3.77Å; M225-F229 WeakPolarHBondContact O-CB 3.49Å; M225-F229 WeakPolarHBondContact O-CD1 3.39Å; M225-F229 PolarHBondContact O-N 3.25Å; M225-F229 HydrophobicContact SD-CE1 4.29Å; A226-F229 PolarHBondContact O-N 3.27Å; K227-F229 VanDerWaalsContact C-N 3.34Å; K227-F229 PolarHBondContact O-N 3.43Å; F229-G231 VanDerWaalsContact C-N 3.31Å; F229-G231 PolarHBondContact O-N 3.39Å; F229-Q232 CarbonylContact O-C 3.59Å; F229-Q232 PolarHBondContact O-N 2.85Å; F229-Q232 VanDerWaalsContact O-N 3.08Å; F229-G233 PolarHBondContact O-N 2.95Å; F229-G233 VanDerWaalsContact O-N 3.09Å; F229-Y234 HydrophobicContact CD1-CD2 4.46Å; F229-Y234 HydrophobicContact CD2-CD2 4.39Å; F229-Y234 HydrophobicContact CD2-CG 4.24Å; F229-Y234 HydrophobicContact CG-CD2 4.23Å; F229-Y234 HydrophobicContact CG-CG 4.45Å; F229-Y234 PolarHBondContact O-N 2.98Å; F229-V236 HydrophobicContact CB-CG2 3.63Å
230S96.6Very high97.6Very high54 Ų5428.1 Ų28.138%0.37818%0.176SC..Hα-helixtrans-58.1-43.4176.8-179.30000111.6A226 Q232 G233A226-S230 VanDerWaalsContact O-CB 3.28Å; A226-S230 WeakPolarHBondContact O-CB 3.37Å; A226-S230 PolarHBondContact O-N 2.98Å; S230-Q232 PolarHBondContact O-N 3.28Å; S230-G233 PolarHBondContact O-N 3.46Å; S230-G233 VanDerWaalsContact O-N 3.11Å
231G96.3Very high97.6Very high72 Ų7230.8 Ų30.874%0.74219%0.188SC*.Hα-helixtrans-64.4-23177.300000114.7K227 N228 F229K227-G231 PolarHBondContact O-N 2.85Å; N228-G231 PolarHBondContact O-N 2.7Å; F229-G231 VanDerWaalsContact C-N 3.31Å; F229-G231 PolarHBondContact O-N 3.39Å
232Q94.9Very high97.6Very high94 Ų9434.1 Ų34.144%0.43920%0.203SC..THydrogen-bonded Turntrans-99.71.7176.3-67.7-172.662.200113.5N228 F229 S230 Y234N228-Q232 WeakPolarHBondContact O-CG 2.75Å; N228-Q232 PolarHBondContact O-N 3.34Å; N228-Q232 PolarHBondContact OD1-NE2 2.95Å; F229-Q232 CarbonylContact O-C 3.59Å; F229-Q232 PolarHBondContact O-N 2.85Å; F229-Q232 VanDerWaalsContact O-N 3.08Å; S230-Q232 PolarHBondContact O-N 3.28Å; Q232-Y234 VanDerWaalsContact C-N 3.32Å; Q232-Y234 HydrophobicContact CB-CD2 3.64Å; Q232-Y234 HydrophobicContact CB-CE2 3.64Å; Q232-Y234 HydrophobicContact CG-CE2 4.34Å
233G94.7Very high97.5Very high43 Ų4341.7 Ų41.744%0.44324%0.239SC..THydrogen-bonded Turntrans73.119.9-177.200000114.5F229 S230F229-G233 PolarHBondContact O-N 2.95Å; F229-G233 VanDerWaalsContact O-N 3.09Å; S230-G233 PolarHBondContact O-N 3.46Å; S230-G233 VanDerWaalsContact O-N 3.11Å
234Y97Very high97.5Very high14 Ų1444.9 Ų44.96%0.05526%0.256CS..  trans-78.6144.6169.8-65.8-59.2000110.8V30 L31 R34 F229 Q232V30-Y234 HydrophobicContact CG1-CD1 3.54Å; V30-Y234 HydrophobicContact CG1-CE1 4.06Å; L31-Y234 HydrophobicContact CD1-CE1 4.1Å; R34-Y234 HydrophobicContact CB-CE1 4.33Å; R34-Y234 VanDerWaalsContact CB-OH 3.31Å; R34-Y234 WeakPolarHBondContact CB-OH 3.16Å; R34-Y234 WeakPolarHBondContact CD-OH 3.45Å; R34-Y234 HydrophobicContact CG-CE1 4.43Å; F229-Y234 HydrophobicContact CD1-CD2 4.46Å; F229-Y234 HydrophobicContact CD2-CD2 4.39Å; F229-Y234 HydrophobicContact CD2-CG 4.24Å; F229-Y234 HydrophobicContact CG-CD2 4.23Å; F229-Y234 HydrophobicContact CG-CG 4.45Å; F229-Y234 PolarHBondContact O-N 2.98Å; Q232-Y234 VanDerWaalsContact C-N 3.32Å; Q232-Y234 HydrophobicContact CB-CD2 3.64Å; Q232-Y234 HydrophobicContact CB-CE2 3.64Å; Q232-Y234 HydrophobicContact CG-CE2 4.34Å
235P97.7Very high97.5Very high22 Ų2252 Ų5214%0.14328%0.277CS..  trans-66143.8167.629.2-33.9000110.7L23 Y26 F237L23-P235 HydrophobicContact CD1-CB 3.76Å; L23-P235 HydrophobicContact CD1-CG 4.28Å; Y26-P235 HydrophobicContact CD1-CG 4.17Å; Y26-P235 HydrophobicContact CE1-CB 4.28Å; Y26-P235 HydrophobicContact CE1-CG 4.04Å; P235-F237 HydrophobicContact CB-CD1 4.1Å; P235-F237 HydrophobicContact CB-CE1 4.32Å; P235-F237 HydrophobicContact CG-CD1 4.25Å; P235-F237 HydrophobicContact CG-CE1 3.99Å
236V98.4Very high97.4Very high11 Ų1157.6 Ų57.67%0.06731%0.311CS..  trans-109.3104.6178.3-173.50000109.5L129 A226 F229 F256L129-V236 HydrophobicContact CB-CB 4.08Å; L129-V236 HydrophobicContact CB-CG1 3.88Å; L129-V236 HydrophobicContact CD2-CG1 4.03Å; L129-V236 PolarHBondContact N-O 2.86Å; A226-V236 HydrophobicContact CB-CG1 3.85Å; F229-V236 HydrophobicContact CB-CG2 3.63Å; V236-F256 HydrophobicContact CG1-CE1 3.93Å; V236-F256 HydrophobicContact CG1-CZ 3.71Å
237F98.7Very high97.4Very high0 Ų058.4 Ų58.40%032%0.317CS..EExtended strand (participates in β ladder)trans-153.3163.2-179.772.6-72.2000112L23 M127 I128 Y200 C201 A202 V203 P235 F239L23-F237 HydrophobicContact CD1-CD1 4.09Å; L23-F237 HydrophobicContact CD1-CE1 4.15Å; L23-F237 HydrophobicContact CD1-CG 4.47Å; L23-F237 HydrophobicContact CD2-CB 3.75Å; L23-F237 HydrophobicContact CD2-CD1 4.02Å; L23-F237 HydrophobicContact CD2-CD2 3.7Å; L23-F237 HydrophobicContact CD2-CE2 4.23Å; L23-F237 HydrophobicContact CD2-CG 3.57Å; L23-F237 HydrophobicContact CG-CD1 3.98Å; L23-F237 HydrophobicContact CG-CD2 3.97Å; L23-F237 HydrophobicContact CG-CE1 4.02Å; L23-F237 HydrophobicContact CG-CE2 3.99Å; L23-F237 HydrophobicContact CG-CG 3.95Å; L23-F237 HydrophobicContact CG-CZ 4.01Å; M127-F237 CarbonylContact O-C 3.55Å; M127-F237 WeakPolarHBondContact O-CA 3.21Å; M127-F237 WeakPolarHBondContact O-CB 3.17Å; I128-F237 HydrophobicContact CG1-CB 4.12Å; Y200-F237 HydrophobicContact CD2-CZ 4.44Å; Y200-F237 WeakPolarHBondContact O-CZ 3.26Å; C201-F237 HydrophobicContact CB-CE1 4.37Å; A202-F237 CarbonylContact C-O 3.53Å; A202-F237 VanDerWaalsContact CA-O 3.32Å; A202-F237 WeakPolarHBondContact CA-O 3.37Å; A202-F237 HydrophobicContact CB-CD2 4.02Å; A202-F237 HydrophobicContact CB-CE1 4.38Å; A202-F237 HydrophobicContact CB-CE2 3.69Å; A202-F237 HydrophobicContact CB-CZ 3.89Å; V203-F237 PolarHBondContact N-O 2.8Å; P235-F237 HydrophobicContact CB-CD1 4.1Å; P235-F237 HydrophobicContact CB-CE1 4.32Å; P235-F237 HydrophobicContact CG-CD1 4.25Å; P235-F237 HydrophobicContact CG-CE1 3.99Å; F237-F239 HydrophobicContact CD2-CE2 4.2Å; F237-F239 HydrophobicContact CD2-CZ 4.31Å; F237-F239 AromaticContact CE2-CE2 3.66Å; F237-F239 HydrophobicContact CE2-CE2 3.66Å; F237-F239 AromaticContact CE2-CZ 3.89Å; F237-F239 HydrophobicContact CE2-CZ 3.89Å
238C98.6Very high97.5Very high3 Ų354.4 Ų54.42%0.0230%0.299CS..EExtended strand (participates in β ladder)trans-146.3163.1175.265.60000111.4M127 V203 F251M127-C238 PolarHBondContact N-O 2.74Å; M127-C238 PolarHBondContact O-N 3.38Å; V203-C238 HydrophobicContact CG2-CB 3.94Å; V203-C238 WeakPolarHBondContact O-CB 3.37Å; C238-F251 HydrophobicContact CB-CE1 4.16Å; C238-F251 HydrophobicContact CB-CZ 4.31Å; C238-F251 WeakPolarHBondContact SG-CD1 3.46Å; C238-F251 WeakPolarHBondContact SG-CE1 3.4Å
239F98.5Very high97.6Very high32 Ų3256.7 Ų56.714%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-110.4126.4170-64-74.8000109.4K24 C124 H125 M126 Y200 A202 F237 E264 W266K24-F239 HydrophobicContact CB-CZ 4.32Å; K24-F239 HydrophobicContact CD-CE2 4.2Å; K24-F239 HydrophobicContact CD-CZ 4.13Å; K24-F239 HydrophobicContact CG-CE2 4.35Å; K24-F239 HydrophobicContact CG-CZ 4.36Å; C124-F239 HydrophobicContact CB-CB 3.91Å; C124-F239 HydrophobicContact CB-CD1 4.41Å; H125-F239 VanDerWaalsContact O-CA 3.31Å; H125-F239 WeakPolarHBondContact O-CA 3.34Å; M126-F239 HydrophobicContact CB-CD1 4.04Å; M126-F239 HydrophobicContact CB-CE1 3.8Å; M126-F239 HydrophobicContact CG-CD1 4.22Å; M126-F239 HydrophobicContact CG-CE1 3.69Å; M126-F239 HydrophobicContact CG-CZ 4.35Å; M126-F239 HydrophobicContact SD-CE1 3.88Å; M126-F239 HydrophobicContact SD-CZ 4.19Å; Y200-F239 AromaticContact CD2-CE2 3.97Å; Y200-F239 HydrophobicContact CD2-CE2 3.97Å; Y200-F239 AromaticContact CE2-CD2 3.74Å; Y200-F239 HydrophobicContact CE2-CD2 3.74Å; Y200-F239 AromaticContact CE2-CE2 3.58Å; Y200-F239 HydrophobicContact CE2-CE2 3.58Å; A202-F239 HydrophobicContact CB-CD2 4.11Å; A202-F239 HydrophobicContact CB-CE2 4.23Å; F237-F239 HydrophobicContact CD2-CE2 4.2Å; F237-F239 HydrophobicContact CD2-CZ 4.31Å; F237-F239 AromaticContact CE2-CE2 3.66Å; F237-F239 HydrophobicContact CE2-CE2 3.66Å; F237-F239 AromaticContact CE2-CZ 3.89Å; F237-F239 HydrophobicContact CE2-CZ 3.89Å; F239-E264 HydrophobicContact CD1-CB 3.77Å; F239-E264 HydrophobicContact CD1-CG 4.15Å; F239-E264 HydrophobicContact CE1-CB 3.55Å; F239-E264 HydrophobicContact CE1-CG 3.69Å; F239-E264 HydrophobicContact CZ-CB 4.45Å; F239-E264 HydrophobicContact CZ-CG 4.11Å; F239-W266 HydrophobicContact CB-CH2 3.95Å; F239-W266 HydrophobicContact CB-CZ3 4.3Å; F239-W266 AromaticContact CD1-CH2 3.79Å; F239-W266 HydrophobicContact CD1-CH2 3.79Å; F239-W266 HydrophobicContact CD1-CZ3 4.29Å; F239-W266 AromaticContact CD2-CH2 3.57Å; F239-W266 HydrophobicContact CD2-CH2 3.57Å; F239-W266 HydrophobicContact CD2-CZ2 4.12Å; F239-W266 HydrophobicContact CE1-CH2 4.12Å; F239-W266 AromaticContact CE2-CH2 3.9Å; F239-W266 HydrophobicContact CE2-CH2 3.9Å; F239-W266 HydrophobicContact CE2-CZ2 4.27Å; F239-W266 AromaticContact CG-CH2 3.49Å; F239-W266 HydrophobicContact CG-CH2 3.49Å; F239-W266 VanDerWaalsContact CG-CH2 3.49Å; F239-W266 HydrophobicContact CG-CZ2 4.46Å; F239-W266 HydrophobicContact CG-CZ3 4.18Å; F239-W266 HydrophobicContact CZ-CH2 4.17Å
240I98.5Very high97.6Very high5 Ų558.4 Ų58.43%0.02632%0.316CS..EExtended strand (participates in β ladder)trans-121.2121.2-178.4-55.1-178.4000108.3C124 H125 M127 E242 N244 F251C124-I240 CarbonylContact C-O 3.48Å; C124-I240 WeakPolarHBondContact CA-O 3.35Å; H125-I240 PolarHBondContact CD2-O 3.05Å; H125-I240 PolarHBondContact N-O 2.58Å; H125-I240 PolarHBondContact O-N 3.44Å; M127-I240 HydrophobicContact CB-CD1 4.49Å; M127-I240 HydrophobicContact CG-CD1 3.79Å; M127-I240 HydrophobicContact CG-CG1 4.26Å; I240-E242 PolarHBondContact O-N 2.86Å; I240-N244 HydrophobicContact CG2-CB 4.08Å; I240-F251 HydrophobicContact CD1-CB 3.76Å; I240-F251 HydrophobicContact CD1-CD2 3.43Å; I240-F251 VanDerWaalsContact CD1-CD2 3.43Å; I240-F251 HydrophobicContact CD1-CE2 4.19Å; I240-F251 HydrophobicContact CD1-CG 3.74Å; I240-F251 HydrophobicContact CG1-CD2 4.38Å
241E98.1Very high97.7Very high60 Ų6056 Ų5628%0.2830%0.299SS..EExtended strand (participates in β ladder)trans-55138.2175-71.2169.5-160.100111.4L123 K161 E243 N244L123-E241 WeakPolarHBondContact O-CA 3.48Å; K161-E241 WeakPolarHBondContact CE-OE1 3.46Å; K161-E241 IonicContact NZ-OE1 2.78Å; K161-E241 PolarHBondContact NZ-OE1 3.16Å; K161-E241 IonicContact NZ-OE2 3.55Å; K161-E241 PolarHBondContact NZ-OE2 3.02Å; E241-E243 PolarHBondContact O-N 3.47Å; E241-E243 VanDerWaalsContact O-N 3.15Å; E241-N244 HydrophobicContact CB-CB 4.28Å; E241-N244 WeakPolarHBondContact O-CA 3.49Å; E241-N244 WeakPolarHBondContact O-CB 3.43Å; E241-N244 PolarHBondContact O-N 3.35Å
242E97.3Very high97.8Very high69 Ų6958 Ų5832%0.32229%0.287SS..THydrogen-bonded Turntrans-57-34.5-175.4-69.6-163.3120.300113.1L123 I240 N244 R263L123-E242 WeakPolarHBondContact CD2-OE2 3.44Å; L123-E242 HydrophobicContact CG-CG 4.21Å; L123-E242 WeakPolarHBondContact CG-OE2 3.38Å; L123-E242 PolarHBondContact O-N 2.96Å; I240-E242 PolarHBondContact O-N 2.86Å; E242-N244 VanDerWaalsContact C-N 3.26Å; E242-N244 PolarHBondContact O-N 2.98Å; E242-R263 IonicContact OE1-CZ 3.92Å; E242-R263 IonicContact OE1-NE 3.47Å; E242-R263 PolarHBondContact OE1-NE 3.07Å; E242-R263 IonicContact OE1-NH2 3.68Å
243E97.1Very high97.9Very high162 Ų16256.2 Ų56.276%0.75729%0.294SS*.THydrogen-bonded Turntrans-74-17.2177.8-57.5-56.5163.400113.1E241 R245E241-E243 PolarHBondContact O-N 3.47Å; E241-E243 VanDerWaalsContact O-N 3.15Å; E243-R245 PolarHBondContact O-N 3.43Å
244N97.7Very high98.1Very high72 Ų7254.2 Ų54.239%0.38527%0.273SS..  trans-84.762.6-179.6-165.3-13.9000112I240 E241 E242 T246 S247 Y248I240-N244 HydrophobicContact CG2-CB 4.08Å; E241-N244 HydrophobicContact CB-CB 4.28Å; E241-N244 WeakPolarHBondContact O-CA 3.49Å; E241-N244 WeakPolarHBondContact O-CB 3.43Å; E241-N244 PolarHBondContact O-N 3.35Å; E242-N244 VanDerWaalsContact C-N 3.26Å; E242-N244 PolarHBondContact O-N 2.98Å; N244-T246 PolarHBondContact O-N 2.89Å; N244-S247 VanDerWaalsContact CG-CB 3.44Å; N244-S247 WeakPolarHBondContact ND2-CB 3.36Å; N244-S247 PolarHBondContact O-N 2.74Å; N244-S247 VanDerWaalsContact O-N 3.16Å; N244-S247 VanDerWaalsContact OD1-CB 3.25Å; N244-S247 WeakPolarHBondContact OD1-CB 3.48Å; N244-S247 PolarHBondContact OD1-N 3Å; N244-Y248 PolarHBondContact O-N 2.8Å
245R97.9Very high98.1Very high187 Ų18754.6 Ų54.671%0.70628%0.282SS*.Hα-helixtrans-55.4-34.9179.3-62.4-175.2-178.6-171.40.7112.8E243 Y248 Q249E243-R245 PolarHBondContact O-N 3.43Å; R245-Y248 PolarHBondContact O-N 2.96Å; R245-Q249 WeakPolarHBondContact O-CG 3.41Å; R245-Q249 PolarHBondContact O-N 3.18Å
246T97.4Very high98.2Very high118 Ų11853.9 Ų53.972%0.72428%0.276SS*.Hα-helixtrans-63-49.8178.6-57.70000111.5N244 Y248 L250N244-T246 PolarHBondContact O-N 2.89Å; T246-Y248 VanDerWaalsContact C-N 3.35Å; T246-L250 WeakPolarHBondContact O-CB 3.27Å; T246-L250 PolarHBondContact O-N 3.34Å
247S98.1Very high98.1Very high19 Ų1955.8 Ų55.813%0.13329%0.29CS..Hα-helixtrans-65.8-40.7177.1-168.80000110.9N244 Q249 L250 F251N244-S247 VanDerWaalsContact CG-CB 3.44Å; N244-S247 WeakPolarHBondContact ND2-CB 3.36Å; N244-S247 PolarHBondContact O-N 2.74Å; N244-S247 VanDerWaalsContact O-N 3.16Å; N244-S247 VanDerWaalsContact OD1-CB 3.25Å; N244-S247 WeakPolarHBondContact OD1-CB 3.48Å; N244-S247 PolarHBondContact OD1-N 3Å; S247-Q249 PolarHBondContact O-N 3.28Å; S247-L250 WeakPolarHBondContact O-CB 3.34Å; S247-L250 PolarHBondContact O-N 2.99Å; S247-L250 VanDerWaalsContact O-N 3.16Å; S247-F251 WeakPolarHBondContact O-CD2 3.18Å; S247-F251 PolarHBondContact O-N 3.43Å
248Y98.6Very high98.1Very high37 Ų3757.9 Ų57.915%0.14530%0.3CS..Hα-helixtrans-55.5-51.4176.4178.6-90.1000112.2H125 M127 N244 R245 T246 L250 F251 K252 E258H125-Y248 HydrophobicContact CB-CD2 4.37Å; H125-Y248 AromaticContact CD2-CD2 3.85Å; H125-Y248 AromaticContact CG-CD2 3.88Å; H125-Y248 AromaticContact ND1-CE2 3.8Å; M127-Y248 HydrophobicContact CE-CE2 4.38Å; M127-Y248 HydrophobicContact SD-CD2 3.94Å; M127-Y248 HydrophobicContact SD-CE2 3.66Å; N244-Y248 PolarHBondContact O-N 2.8Å; R245-Y248 PolarHBondContact O-N 2.96Å; T246-Y248 VanDerWaalsContact C-N 3.35Å; Y248-L250 VanDerWaalsContact C-N 3.31Å; Y248-L250 PolarHBondContact O-N 3.44Å; Y248-F251 PolarHBondContact O-N 3.4Å; Y248-K252 HydrophobicContact CE1-CD 3.92Å; Y248-K252 VanDerWaalsContact O-CB 3.3Å; Y248-K252 WeakPolarHBondContact O-CB 3.46Å; Y248-K252 PolarHBondContact O-N 3.21Å; Y248-E258 WeakPolarHBondContact CE2-OE1 3.43Å; Y248-E258 VanDerWaalsContact CZ-OE1 3.24Å; Y248-E258 PolarHBondContact OH-OE1 2.96Å
249Q98.5Very high97.9Very high117 Ų11761 Ų6155%0.54732%0.316SS..Hα-helixtrans-65.3-35.4178.2-65.7-59-27.200112.3R245 S247 G253R245-Q249 WeakPolarHBondContact O-CG 3.41Å; R245-Q249 PolarHBondContact O-N 3.18Å; S247-Q249 PolarHBondContact O-N 3.28Å; Q249-G253 PolarHBondContact O-N 3.15Å
250L98.4Very high97.7Very high36 Ų3664.1 Ų64.119%0.18834%0.34CS..Hα-helixtrans-59.9-53.6174.3172.563.5000111.3L206 A218 K219 I222 T246 S247 Y248 G253 M254L206-L250 HydrophobicContact CD2-CD2 3.85Å; A218-L250 HydrophobicContact CB-CD2 3.82Å; K219-L250 HydrophobicContact CD-CD1 4.48Å; K219-L250 HydrophobicContact CG-CD1 3.57Å; I222-L250 HydrophobicContact CD1-CD1 4.33Å; I222-L250 HydrophobicContact CD1-CD2 3.76Å; I222-L250 HydrophobicContact CD1-CG 3.79Å; T246-L250 WeakPolarHBondContact O-CB 3.27Å; T246-L250 PolarHBondContact O-N 3.34Å; S247-L250 WeakPolarHBondContact O-CB 3.34Å; S247-L250 PolarHBondContact O-N 2.99Å; S247-L250 VanDerWaalsContact O-N 3.16Å; Y248-L250 VanDerWaalsContact C-N 3.31Å; Y248-L250 PolarHBondContact O-N 3.44Å; L250-G253 PolarHBondContact O-N 3.42Å; L250-M254 HydrophobicContact CD1-CG 4.46Å; L250-M254 VanDerWaalsContact O-CG 3.22Å; L250-M254 WeakPolarHBondContact O-CG 3.3Å; L250-M254 PolarHBondContact O-N 3.45Å; L250-M254 VanDerWaalsContact O-N 3.11Å
251F98.6Very high97.4Very high4 Ų468.8 Ų68.82%0.01837%0.373CS..Hα-helixtrans-67.1-39-179.3-83.8-90.5000112.1M127 V203 L206 I222 C238 I240 S247 Y248 G253 M254 G255 F256M127-F251 HydrophobicContact CE-CB 4.04Å; V203-F251 HydrophobicContact CG2-CE1 4.26Å; L206-F251 HydrophobicContact CD2-CE2 3.97Å; L206-F251 HydrophobicContact CD2-CZ 4.27Å; I222-F251 HydrophobicContact CD1-CD1 4.24Å; I222-F251 HydrophobicContact CD1-CD2 4.2Å; I222-F251 HydrophobicContact CD1-CE1 3.93Å; I222-F251 HydrophobicContact CD1-CE2 3.89Å; I222-F251 HydrophobicContact CD1-CG 4.38Å; I222-F251 HydrophobicContact CD1-CZ 3.74Å; I222-F251 HydrophobicContact CG1-CE1 3.92Å; I222-F251 HydrophobicContact CG1-CE2 4.45Å; I222-F251 HydrophobicContact CG1-CZ 3.83Å; I222-F251 HydrophobicContact CG2-CD1 4.39Å; I222-F251 HydrophobicContact CG2-CE1 4.11Å; C238-F251 HydrophobicContact CB-CE1 4.16Å; C238-F251 HydrophobicContact CB-CZ 4.31Å; C238-F251 WeakPolarHBondContact SG-CD1 3.46Å; C238-F251 WeakPolarHBondContact SG-CE1 3.4Å; I240-F251 HydrophobicContact CD1-CB 3.76Å; I240-F251 HydrophobicContact CD1-CD2 3.43Å; I240-F251 VanDerWaalsContact CD1-CD2 3.43Å; I240-F251 HydrophobicContact CD1-CE2 4.19Å; I240-F251 HydrophobicContact CD1-CG 3.74Å; I240-F251 HydrophobicContact CG1-CD2 4.38Å; S247-F251 WeakPolarHBondContact O-CD2 3.18Å; S247-F251 PolarHBondContact O-N 3.43Å; Y248-F251 PolarHBondContact O-N 3.4Å; F251-G253 VanDerWaalsContact C-N 3.34Å; F251-G253 PolarHBondContact O-N 2.89Å; F251-M254 CarbonylContact O-C 3.47Å; F251-M254 WeakPolarHBondContact O-CA 3.28Å; F251-M254 WeakPolarHBondContact O-CB 3.34Å; F251-M254 PolarHBondContact O-N 3.14Å; F251-G255 PolarHBondContact O-N 3.19Å; F251-F256 HydrophobicContact CB-CB 4.24Å; F251-F256 HydrophobicContact CB-CD2 4.44Å; F251-F256 HydrophobicContact CB-CG 4.28Å; F251-F256 AromaticContact CD1-CD1 3.9Å; F251-F256 HydrophobicContact CD1-CD1 3.9Å; F251-F256 AromaticContact CD1-CD2 3.86Å; F251-F256 HydrophobicContact CD1-CD2 3.86Å; F251-F256 AromaticContact CD1-CE1 3.84Å; F251-F256 HydrophobicContact CD1-CE1 3.84Å; F251-F256 AromaticContact CD1-CE2 3.82Å; F251-F256 HydrophobicContact CD1-CE2 3.82Å; F251-F256 AromaticContact CD1-CG 3.92Å; F251-F256 HydrophobicContact CD1-CG 3.92Å; F251-F256 AromaticContact CD1-CZ 3.8Å; F251-F256 HydrophobicContact CD1-CZ 3.8Å; F251-F256 HydrophobicContact CE1-CE1 4.14Å; F251-F256 HydrophobicContact CE1-CE2 4.33Å; F251-F256 AromaticContact CE1-CZ 3.99Å; F251-F256 HydrophobicContact CE1-CZ 3.99Å; F251-F256 WeakPolarHBondContact O-CB 3.05Å; F251-F256 WeakPolarHBondContact O-CD2 3.45Å; F251-F256 PolarHBondContact O-N 3.1Å; F251-F256 VanDerWaalsContact O-N 3.14Å
252K98.4Very high97.3Very high112 Ų11267 Ų6749%0.48736%0.364SS..Hα-helixtrans-59.1-44.4173.3-172.3172.3-174.8167.50112M127 Y248 M254 G255M127-K252 HydrophobicContact CE-CB 4.09Å; Y248-K252 HydrophobicContact CE1-CD 3.92Å; Y248-K252 VanDerWaalsContact O-CB 3.3Å; Y248-K252 WeakPolarHBondContact O-CB 3.46Å; Y248-K252 PolarHBondContact O-N 3.21Å; K252-M254 PolarHBondContact O-N 3.31Å; K252-G255 PolarHBondContact O-N 3.17Å; K252-G255 VanDerWaalsContact O-N 3.07Å
253G97.9Very high97.3Very high57 Ų5765.6 Ų65.659%0.58836%0.356SS*.Hα-helixtrans-67.5-14.8174.300000114.3Q249 L250 F251 G255Q249-G253 PolarHBondContact O-N 3.15Å; L250-G253 PolarHBondContact O-N 3.42Å; F251-G253 VanDerWaalsContact C-N 3.34Å; F251-G253 PolarHBondContact O-N 2.89Å; G253-G255 VanDerWaalsContact C-N 3.34Å
254M98.1Very high97.3Very high1 Ų158 Ų581%0.00532%0.32CS..THydrogen-bonded Turntrans-92.810.7172.9-68.6-65.7-6700112.6L135 P136 I138 K219 I222 L250 F251 K252 F256L135-M254 HydrophobicContact CD2-CE 3.74Å; L135-M254 WeakPolarHBondContact CD2-O 3.41Å; P136-M254 HydrophobicContact CG-CE 4.41Å; P136-M254 HydrophobicContact CG-SD 3.66Å; I138-M254 HydrophobicContact CD1-CE 3.46Å; I138-M254 VanDerWaalsContact CD1-CE 3.46Å; I138-M254 HydrophobicContact CD1-SD 3.84Å; K219-M254 HydrophobicContact CB-CE 4.47Å; K219-M254 HydrophobicContact CB-SD 3.94Å; K219-M254 HydrophobicContact CD-SD 4.5Å; K219-M254 HydrophobicContact CG-SD 3.99Å; K219-M254 WeakPolarHBondContact O-CE 3.26Å; I222-M254 HydrophobicContact CB-CE 3.98Å; I222-M254 HydrophobicContact CD1-CG 4.33Å; I222-M254 HydrophobicContact CG2-CB 4.19Å; I222-M254 HydrophobicContact CG2-CE 3.75Å; I222-M254 HydrophobicContact CG2-CG 4.17Å; L250-M254 HydrophobicContact CD1-CG 4.46Å; L250-M254 VanDerWaalsContact O-CG 3.22Å; L250-M254 WeakPolarHBondContact O-CG 3.3Å; L250-M254 PolarHBondContact O-N 3.45Å; L250-M254 VanDerWaalsContact O-N 3.11Å; F251-M254 CarbonylContact O-C 3.47Å; F251-M254 WeakPolarHBondContact O-CA 3.28Å; F251-M254 WeakPolarHBondContact O-CB 3.34Å; F251-M254 PolarHBondContact O-N 3.14Å; K252-M254 PolarHBondContact O-N 3.31Å; M254-F256 HydrophobicContact CB-CD2 4.04Å; M254-F256 HydrophobicContact CB-CE2 4.24Å
255G98Very high97.3Very high23 Ų2354.6 Ų54.624%0.23730%0.302CS..THydrogen-bonded Turntrans86.65.717600000115F251 K252 G253F251-G255 PolarHBondContact O-N 3.19Å; K252-G255 PolarHBondContact O-N 3.17Å; K252-G255 VanDerWaalsContact O-N 3.07Å; G253-G255 VanDerWaalsContact C-N 3.34Å
256F98.6Very high97.3Very high6 Ų646.3 Ų46.33%0.02627%0.27CS..  trans-75.7145.4173-69-117.9000110.5M127 I128 L129 I222 V236 F251 M254M127-F256 HydrophobicContact CB-CB 4.16Å; M127-F256 HydrophobicContact CB-CD1 4.2Å; M127-F256 HydrophobicContact CE-CB 3.78Å; I128-F256 CarbonylContact O-C 3.58Å; I128-F256 VanDerWaalsContact O-CA 3.3Å; I128-F256 WeakPolarHBondContact O-CA 3.47Å; L129-F256 HydrophobicContact CB-CD1 3.83Å; L129-F256 HydrophobicContact CB-CD2 3.98Å; L129-F256 HydrophobicContact CB-CE1 3.69Å; L129-F256 HydrophobicContact CB-CE2 3.84Å; L129-F256 HydrophobicContact CB-CG 3.97Å; L129-F256 HydrophobicContact CB-CZ 3.69Å; L129-F256 HydrophobicContact CD1-CD2 4.16Å; L129-F256 HydrophobicContact CD1-CE2 4.32Å; L129-F256 HydrophobicContact CD2-CE2 4.07Å; L129-F256 HydrophobicContact CD2-CZ 4.23Å; L129-F256 HydrophobicContact CG-CE2 4.31Å; I222-F256 HydrophobicContact CG2-CE2 3.72Å; I222-F256 HydrophobicContact CG2-CZ 4.11Å; V236-F256 HydrophobicContact CG1-CE1 3.93Å; V236-F256 HydrophobicContact CG1-CZ 3.71Å; F251-F256 HydrophobicContact CB-CB 4.24Å; F251-F256 HydrophobicContact CB-CD2 4.44Å; F251-F256 HydrophobicContact CB-CG 4.28Å; F251-F256 AromaticContact CD1-CD1 3.9Å; F251-F256 HydrophobicContact CD1-CD1 3.9Å; F251-F256 AromaticContact CD1-CD2 3.86Å; F251-F256 HydrophobicContact CD1-CD2 3.86Å; F251-F256 AromaticContact CD1-CE1 3.84Å; F251-F256 HydrophobicContact CD1-CE1 3.84Å; F251-F256 AromaticContact CD1-CE2 3.82Å; F251-F256 HydrophobicContact CD1-CE2 3.82Å; F251-F256 AromaticContact CD1-CG 3.92Å; F251-F256 HydrophobicContact CD1-CG 3.92Å; F251-F256 AromaticContact CD1-CZ 3.8Å; F251-F256 HydrophobicContact CD1-CZ 3.8Å; F251-F256 HydrophobicContact CE1-CE1 4.14Å; F251-F256 HydrophobicContact CE1-CE2 4.33Å; F251-F256 AromaticContact CE1-CZ 3.99Å; F251-F256 HydrophobicContact CE1-CZ 3.99Å; F251-F256 WeakPolarHBondContact O-CB 3.05Å; F251-F256 WeakPolarHBondContact O-CD2 3.45Å; F251-F256 PolarHBondContact O-N 3.1Å; F251-F256 VanDerWaalsContact O-N 3.14Å; M254-F256 HydrophobicContact CB-CD2 4.04Å; M254-F256 HydrophobicContact CB-CE2 4.24Å
257S97.9Very high97.4Very high51 Ų5141.5 Ų41.536%0.35724%0.239SC..BIsolated β-bridgetrans-126.9164.7175.650.50000111.4M127 I128M127-S257 CarbonylContact C-O 3.46Å; M127-S257 WeakPolarHBondContact CA-O 3.26Å; I128-S257 PolarHBondContact N-O 3.24Å; I128-S257 PolarHBondContact O-N 3.32Å
258E97Very high97.4Very high44 Ų4440.6 Ų40.621%0.20623%0.233CC..  trans-131.7160.7175.464.6173.3153.400110.5H125 M126 M127 Y248 R263H125-E258 IonicContact CE1-OE2 3.84Å; H125-E258 IonicContact CG-OE2 3.65Å; H125-E258 IonicContact ND1-OE1 3.55Å; H125-E258 IonicContact ND1-OE2 3.89Å; H125-E258 PolarHBondContact ND1-OE2 3.36Å; M126-E258 VanDerWaalsContact O-CB 3.31Å; M126-E258 WeakPolarHBondContact O-CB 3.37Å; M127-E258 HydrophobicContact SD-CB 3.87Å; M127-E258 HydrophobicContact SD-CG 4.23Å; Y248-E258 WeakPolarHBondContact CE2-OE1 3.43Å; Y248-E258 VanDerWaalsContact CZ-OE1 3.24Å; Y248-E258 PolarHBondContact OH-OE1 2.96Å; E258-R263 IonicContact OE2-CZ 3.63Å; E258-R263 IonicContact OE2-NH1 2.8Å; E258-R263 PolarHBondContact OE2-NH1 3.12Å; E258-R263 IonicContact OE2-NH2 2.78Å
259D95.8Very high97.3Very high68 Ų6838.8 Ų38.836%0.36423%0.226SC..  trans-86.8114.7155.8179.4-13000108S261 Y262D259-S261 VanDerWaalsContact CG-OG 3.23Å; D259-S261 PolarHBondContact O-N 2.94Å; D259-S261 VanDerWaalsContact O-N 3.15Å; D259-S261 WeakPolarHBondContact OD1-CB 3.39Å; D259-S261 PolarHBondContact OD1-N 2.86Å; D259-S261 PolarHBondContact OD1-OG 3.36Å; D259-S261 PolarHBondContact OD2-OG 2.88Å; D259-Y262 PolarHBondContact O-N 2.86Å
260P93.8Very high97.2Very high99 Ų9934.9 Ų34.964%0.64321%0.209SC*.THydrogen-bonded Turntrans-65.8-16.3-177.228.4-35.4000113.4
261S93.2Very high96.8Very high102 Ų10240 Ų4071%0.71324%0.236SC*.THydrogen-bonded Turntrans-84.2-13.1174.974.40000113.3D259D259-S261 VanDerWaalsContact CG-OG 3.23Å; D259-S261 PolarHBondContact O-N 2.94Å; D259-S261 VanDerWaalsContact O-N 3.15Å; D259-S261 WeakPolarHBondContact OD1-CB 3.39Å; D259-S261 PolarHBondContact OD1-N 2.86Å; D259-S261 PolarHBondContact OD1-OG 3.36Å; D259-S261 PolarHBondContact OD2-OG 2.88Å
262Y95.3Very high96.2Very high24 Ų2443.7 Ų43.79%0.09425%0.253CS..  trans-97.1128.1-179.5-170.6-78.7000111.3T100 M126 D259 E264T100-Y262 HydrophobicContact CG2-CD2 4.49Å; T100-Y262 HydrophobicContact CG2-CE2 3.57Å; T100-Y262 WeakPolarHBondContact CG2-OH 3.49Å; M126-Y262 HydrophobicContact CB-CD1 3.83Å; M126-Y262 HydrophobicContact CB-CE1 3.94Å; M126-Y262 HydrophobicContact CE-CD1 3.65Å; M126-Y262 HydrophobicContact CE-CD2 4.25Å; M126-Y262 HydrophobicContact CE-CE1 3.52Å; M126-Y262 HydrophobicContact CE-CE2 4.11Å; M126-Y262 HydrophobicContact CE-CG 4.02Å; M126-Y262 HydrophobicContact SD-CD1 4.35Å; M126-Y262 HydrophobicContact SD-CE1 3.79Å; D259-Y262 PolarHBondContact O-N 2.86Å; Y262-E264 HydrophobicContact CE1-CB 4.22Å; Y262-E264 WeakPolarHBondContact CE1-OE2 3.21Å; Y262-E264 PolarHBondContact OH-OE2 2.9Å
263R96.8Very high96.1Very high39 Ų3940.3 Ų40.315%0.14724%0.241CC..EExtended strand (participates in β ladder)trans-133.7136.3169.4-67.1-65.2179.3-97.60.6110.6T100 L101 L123 C124 H125 E242 E258T100-R263 CarbonylContact C-O 3.5Å; T100-R263 WeakPolarHBondContact CA-O 3.38Å; L101-R263 HydrophobicContact CB-CB 4.04Å; L101-R263 HydrophobicContact CD2-CB 4.39Å; L101-R263 PolarHBondContact N-O 3.01Å; L123-R263 HydrophobicContact CD1-CB 3.83Å; L123-R263 HydrophobicContact CD1-CG 4.4Å; C124-R263 WeakPolarHBondContact O-CD 3.38Å; H125-R263 PolarHBondContact CE1-NH2 3.02Å; H125-R263 VanDerWaalsContact ND1-CZ 3.28Å; H125-R263 PolarHBondContact ND1-NH1 3.26Å; H125-R263 PolarHBondContact ND1-NH2 3.46Å; E242-R263 IonicContact OE1-CZ 3.92Å; E242-R263 IonicContact OE1-NE 3.47Å; E242-R263 PolarHBondContact OE1-NE 3.07Å; E242-R263 IonicContact OE1-NH2 3.68Å; E258-R263 IonicContact OE2-CZ 3.63Å; E258-R263 IonicContact OE2-NH1 2.8Å; E258-R263 PolarHBondContact OE2-NH1 3.12Å; E258-R263 IonicContact OE2-NH2 2.78Å
264E97.5Very high96Very high2 Ų239.4 Ų39.41%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-101.5137.9171.1-163.474-145.500108.5K24 I99 T100 C124 F239 Y262 W266K24-E264 WeakPolarHBondContact CE-OE1 3.47Å; K24-E264 IonicContact NZ-OE1 3.07Å; K24-E264 PolarHBondContact NZ-OE1 3.46Å; I99-E264 WeakPolarHBondContact CA-OE1 3.01Å; I99-E264 PolarHBondContact N-OE1 2.78Å; T100-E264 PolarHBondContact N-OE1 2.78Å; C124-E264 PolarHBondContact N-O 2.94Å; C124-E264 PolarHBondContact O-N 3.4Å; C124-E264 VanDerWaalsContact O-N 3.12Å; F239-E264 HydrophobicContact CD1-CB 3.77Å; F239-E264 HydrophobicContact CD1-CG 4.15Å; F239-E264 HydrophobicContact CE1-CB 3.55Å; F239-E264 HydrophobicContact CE1-CG 3.69Å; F239-E264 HydrophobicContact CZ-CB 4.45Å; F239-E264 HydrophobicContact CZ-CG 4.11Å; Y262-E264 HydrophobicContact CE1-CB 4.22Å; Y262-E264 WeakPolarHBondContact CE1-OE2 3.21Å; Y262-E264 PolarHBondContact OH-OE2 2.9Å; E264-W266 HydrophobicContact CB-CH2 3.97Å; E264-W266 HydrophobicContact CB-CZ3 3.71Å; E264-W266 HydrophobicContact CG-CE3 4.17Å; E264-W266 HydrophobicContact CG-CH2 3.31Å; E264-W266 HydrophobicContact CG-CZ2 4.06Å; E264-W266 HydrophobicContact CG-CZ3 3.38Å
265T98.2Very high95.9Very high0 Ų041.6 Ų41.60%024%0.235CC..EExtended strand (participates in β ladder)trans-134.1144.4178.1-168.10000111.2G98 I99 L101 M104 Q120 S122 Y267G98-T265 VanDerWaalsContact CA-O 3.32Å; G98-T265 WeakPolarHBondContact CA-O 3.44Å; I99-T265 PolarHBondContact N-O 3.07Å; I99-T265 VanDerWaalsContact N-O 3.1Å; I99-T265 PolarHBondContact O-N 2.83Å; L101-T265 HydrophobicContact CD1-CG2 4.09Å; M104-T265 HydrophobicContact CB-CG2 3.54Å; M104-T265 HydrophobicContact CE-CG2 3.86Å; M104-T265 WeakPolarHBondContact CE-O 3.45Å; M104-T265 HydrophobicContact CG-CG2 3.63Å; Q120-T265 PolarHBondContact NE2-OG1 3.08Å; S122-T265 VanDerWaalsContact O-CA 3.27Å; S122-T265 WeakPolarHBondContact O-CA 3.36Å; S122-T265 WeakPolarHBondContact O-CB 3.4Å; S122-T265 PolarHBondContact O-OG1 3.44Å; T265-Y267 HydrophobicContact CG2-CD2 4.17Å; T265-Y267 HydrophobicContact CG2-CE2 4.03Å; T265-Y267 WeakPolarHBondContact OG1-CE2 3.39Å
266W98.1Very high95.7Very high13 Ų1342.6 Ų42.65%0.04923%0.234CC..EExtended strand (participates in β ladder)trans-113.1134.7174.2-73-110.7000109.6K24 D68 L97 L121 S122 C124 F239 E264K24-W266 HydrophobicContact CD-CZ2 4.36Å; D68-W266 PolarHBondContact OD2-NE1 3.11Å; L97-W266 WeakPolarHBondContact O-CA 3.42Å; L121-W266 HydrophobicContact CB-CB 4.22Å; L121-W266 WeakPolarHBondContact CB-O 3.25Å; L121-W266 PolarHBondContact N-O 3.06Å; S122-W266 PolarHBondContact N-O 3.2Å; S122-W266 PolarHBondContact O-N 3.37Å; S122-W266 VanDerWaalsContact OG-CE3 3.28Å; C124-W266 HydrophobicContact CB-CZ3 4.02Å; F239-W266 HydrophobicContact CB-CH2 3.95Å; F239-W266 HydrophobicContact CB-CZ3 4.3Å; F239-W266 AromaticContact CD1-CH2 3.79Å; F239-W266 HydrophobicContact CD1-CH2 3.79Å; F239-W266 HydrophobicContact CD1-CZ3 4.29Å; F239-W266 AromaticContact CD2-CH2 3.57Å; F239-W266 HydrophobicContact CD2-CH2 3.57Å; F239-W266 HydrophobicContact CD2-CZ2 4.12Å; F239-W266 HydrophobicContact CE1-CH2 4.12Å; F239-W266 AromaticContact CE2-CH2 3.9Å; F239-W266 HydrophobicContact CE2-CH2 3.9Å; F239-W266 HydrophobicContact CE2-CZ2 4.27Å; F239-W266 AromaticContact CG-CH2 3.49Å; F239-W266 HydrophobicContact CG-CH2 3.49Å; F239-W266 VanDerWaalsContact CG-CH2 3.49Å; F239-W266 HydrophobicContact CG-CZ2 4.46Å; F239-W266 HydrophobicContact CG-CZ3 4.18Å; F239-W266 HydrophobicContact CZ-CH2 4.17Å; E264-W266 HydrophobicContact CB-CH2 3.97Å; E264-W266 HydrophobicContact CB-CZ3 3.71Å; E264-W266 HydrophobicContact CG-CE3 4.17Å; E264-W266 HydrophobicContact CG-CH2 3.31Å; E264-W266 HydrophobicContact CG-CZ2 4.06Å; E264-W266 HydrophobicContact CG-CZ3 3.38Å
267Y98.3Very high95.5Very high17 Ų1744.9 Ų44.97%0.06725%0.248CC..EExtended strand (participates in β ladder)trans-125.3140.5173.6-84.9-113.1000110.1L97 M104 K108 N118 N119 Q120 T265L97-Y267 PolarHBondContact N-O 2.89Å; L97-Y267 PolarHBondContact O-N 2.89Å; M104-Y267 HydrophobicContact CE-CD2 3.67Å; M104-Y267 HydrophobicContact CE-CG 4.14Å; M104-Y267 HydrophobicContact CG-CD2 3.63Å; M104-Y267 HydrophobicContact CG-CE2 3.7Å; M104-Y267 HydrophobicContact CG-CG 4.28Å; M104-Y267 HydrophobicContact SD-CD2 3.79Å; M104-Y267 HydrophobicContact SD-CE2 4.45Å; M104-Y267 HydrophobicContact SD-CG 3.98Å; K108-Y267 HydrophobicContact CD-CD1 4.46Å; K108-Y267 HydrophobicContact CD-CE1 3.92Å; K108-Y267 HydrophobicContact CG-CE1 4.5Å; N118-Y267 HydrophobicContact CB-CD1 4.12Å; N118-Y267 WeakPolarHBondContact OD1-CD1 3.44Å; N118-Y267 WeakPolarHBondContact OD1-CE1 3.44Å; N119-Y267 VanDerWaalsContact C-CD1 3.45Å; N119-Y267 CarbonylContact O-C 3.44Å; N119-Y267 WeakPolarHBondContact O-CA 3.19Å; N119-Y267 WeakPolarHBondContact O-CB 3.49Å; N119-Y267 WeakPolarHBondContact O-CD1 3.43Å; Q120-Y267 HydrophobicContact CB-CD1 4.27Å; Q120-Y267 HydrophobicContact CB-CD2 4.41Å; Q120-Y267 HydrophobicContact CB-CE1 3.7Å; Q120-Y267 HydrophobicContact CB-CE2 3.88Å; Q120-Y267 VanDerWaalsContact CB-CZ 3.48Å; Q120-Y267 HydrophobicContact CG-CD2 4.2Å; Q120-Y267 HydrophobicContact CG-CE1 4.33Å; Q120-Y267 HydrophobicContact CG-CE2 3.57Å; T265-Y267 HydrophobicContact CG2-CD2 4.17Å; T265-Y267 HydrophobicContact CG2-CE2 4.03Å; T265-Y267 WeakPolarHBondContact OG1-CE2 3.39Å
268G97.8Very high95.4Very high0 Ų044.5 Ų44.50%024%0.24CC..EExtended strand (participates in β ladder)trans-89.9129163.400000109.1N118 N119N118-G268 CarbonylContact C-O 3.43Å; N118-G268 VanDerWaalsContact CA-O 3.25Å; N118-G268 WeakPolarHBondContact CA-O 3.39Å; N119-G268 PolarHBondContact N-O 3.05Å; N119-G268 PolarHBondContact O-N 3.02Å
269F97.8Very high95.3Very high0 Ų044.6 Ų44.60%024%0.243CC..EExtended strand (participates in β ladder)trans-111.1132.7172.6-63.5-94000108.9W91 Y94 L95 L97 M104 V107 K108 A111 V116 P117 N118W91-F269 HydrophobicContact CZ3-CB 4.47Å; W91-F269 AromaticContact CZ3-CD1 3.73Å; W91-F269 HydrophobicContact CZ3-CD1 3.73Å; W91-F269 HydrophobicContact CZ3-CE1 4.11Å; W91-F269 HydrophobicContact CZ3-CG 4.04Å; Y94-F269 VanDerWaalsContact CA-O 3.3Å; Y94-F269 WeakPolarHBondContact CA-O 3.48Å; Y94-F269 WeakPolarHBondContact CD2-O 3.38Å; L95-F269 HydrophobicContact CB-CB 4.26Å; L95-F269 HydrophobicContact CD2-CD2 4.33Å; L95-F269 HydrophobicContact CG-CD2 4.48Å; L95-F269 PolarHBondContact N-O 3.21Å; L95-F269 PolarHBondContact O-N 2.96Å; L97-F269 HydrophobicContact CB-CD2 4.41Å; L97-F269 HydrophobicContact CB-CE2 4.1Å; M104-F269 HydrophobicContact SD-CE2 4.32Å; M104-F269 HydrophobicContact SD-CZ 4Å; V107-F269 HydrophobicContact CB-CZ 4.42Å; V107-F269 HydrophobicContact CG1-CE1 4.14Å; V107-F269 HydrophobicContact CG1-CE2 3.92Å; V107-F269 HydrophobicContact CG1-CZ 3.46Å; V107-F269 VanDerWaalsContact CG1-CZ 3.46Å; K108-F269 HydrophobicContact CG-CZ 4.49Å; A111-F269 HydrophobicContact CB-CD1 3.78Å; A111-F269 HydrophobicContact CB-CE1 3.67Å; V116-F269 HydrophobicContact CG1-CB 3.92Å; V116-F269 HydrophobicContact CG1-CD1 4.18Å; P117-F269 WeakPolarHBondContact O-CA 3.45Å; N118-F269 HydrophobicContact CB-CD1 3.53Å; N118-F269 HydrophobicContact CB-CE1 3.52Å; N118-F269 HydrophobicContact CB-CG 4.29Å; N118-F269 HydrophobicContact CB-CZ 4.27Å
270N96.1Very high95.2Very high34 Ų3442.8 Ų42.818%0.18223%0.233CC..SBendtrans60.2175.4-164.5-58.8-56000113.6W91 R93 Y94 P117W91-N270 PolarHBondContact O-ND2 2.72Å; R93-N270 PolarHBondContact O-ND2 3.01Å; Y94-N270 VanDerWaalsContact CD2-O 3.26Å; Y94-N270 WeakPolarHBondContact CD2-O 3.48Å; P117-N270 PolarHBondContact O-N 3.34Å
271D89.8Confident95.4Very high144 Ų14438.1 Ų38.177%0.7720%0.199SC*.  trans-86.8140.5174.9-64.1-36.4000110.9
272F85.4Confident95.6Very high82 Ų8232.3 Ų32.336%0.3615%0.153SC..  trans-75.70-179.5-178.4-116.6000112.8K62 L65 F66 Y94K62-F272 WeakPolarHBondContact CE-OXT 3.45Å; K62-F272 PolarHBondContact NZ-OXT 3Å; L65-F272 HydrophobicContact CB-CE2 4.23Å; F66-F272 HydrophobicContact CB-CE1 4.42Å; F66-F272 HydrophobicContact CB-CE2 3.8Å; F66-F272 HydrophobicContact CB-CZ 3.69Å; F66-F272 HydrophobicContact CD2-CD1 4.08Å; F66-F272 AromaticContact CD2-CE1 3.76Å; F66-F272 HydrophobicContact CD2-CE1 3.76Å; F66-F272 HydrophobicContact CD2-CE2 4.31Å; F66-F272 HydrophobicContact CD2-CG 4.48Å; F66-F272 AromaticContact CD2-CZ 3.89Å; F66-F272 HydrophobicContact CD2-CZ 3.89Å; F66-F272 HydrophobicContact CG-CZ 4.25Å; Y94-F272 HydrophobicContact CD1-CB 4.2Å; Y94-F272 AromaticContact CD1-CD2 3.43Å; Y94-F272 HydrophobicContact CD1-CD2 3.43Å; Y94-F272 VanDerWaalsContact CD1-CD2 3.43Å; Y94-F272 HydrophobicContact CD1-CE2 4.26Å; Y94-F272 HydrophobicContact CD1-CG 4.21Å; Y94-F272 HydrophobicContact CD2-CB 3.71Å; Y94-F272 HydrophobicContact CD2-CD2 4.43Å; Y94-F272 HydrophobicContact CE1-CB 4.3Å; Y94-F272 AromaticContact CE1-CD2 3.84Å; Y94-F272 HydrophobicContact CE1-CD2 3.84Å; Y94-F272 HydrophobicContact CE1-CG 4.35Å; Y94-F272 HydrophobicContact CE2-CB 3.85Å; Y94-F272 HydrophobicContact CG-CB 3.89Å; Y94-F272 AromaticContact CG-CD2 3.75Å; Y94-F272 HydrophobicContact CG-CD2 3.75Å; Y94-F272 HydrophobicContact CG-CG 4.31Å

Retrieved 272 of 272 residues in 167.2 ms (Link to these results)

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