A0A060W8P4_ONCMY Loading...

E3 ubiquitin-protein ligase RNF14

AlphaFold DB , UniProt , Accession A0A060W8P4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110537763, Length 466 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
1M58.2Low84.8Confident152 Ų15270.5 Ų70.575%0.74936%0.362SS*.  0114.40-63.8-68.5-6100105.6Q5 E6 E9M1-Q5 HydrophobicContact CE-CB 4.07Å; M1-Q5 HydrophobicContact CE-CG 3.83Å; M1-Q5 HydrophobicContact SD-CG 4.22Å; M1-E6 HydrophobicContact CE-CB 4.27Å; M1-E9 HydrophobicContact CE-CG 4.48Å
2S80.1Confident85.2Confident56 Ų5664.7 Ų64.739%0.39233%0.332SS..  trans-67157.2162.449.80000108.4D4 Q5 E6S2-D4 PolarHBondContact O-N 2.58Å; S2-Q5 PolarHBondContact O-N 2.78Å; S2-Q5 WeakPolarHBondContact OG-CB 3.39Å; S2-Q5 PolarHBondContact OG-N 3.13Å; S2-E6 PolarHBondContact O-N 3.24Å; S2-E6 VanDerWaalsContact O-N 3.13Å
3E84.6Confident85.5Confident173 Ų17366.9 Ų66.981%0.80834%0.344SS*.Hα-helixtrans-54.3-38.3173.8-67.9177.2170.200110.8Q5 E6 A7E3-Q5 PolarHBondContact O-N 2.89Å; E3-E6 PolarHBondContact O-N 3.18Å; E3-A7 WeakPolarHBondContact O-CB 3.34Å; E3-A7 PolarHBondContact O-N 2.74Å
4D86.9Confident85.9Confident26 Ų2665.6 Ų65.614%0.13935%0.349CS..Hα-helixtrans-57.9-45.6172.5-73.8-36.3000113.3S2 E6 A7 Q8 Y75 P76 S77S2-D4 PolarHBondContact O-N 2.58Å; D4-E6 VanDerWaalsContact C-N 3.32Å; D4-E6 PolarHBondContact O-N 2.76Å; D4-A7 PolarHBondContact O-N 3.25Å; D4-Q8 WeakPolarHBondContact O-CB 3.43Å; D4-Q8 WeakPolarHBondContact O-CG 3.17Å; D4-Q8 PolarHBondContact O-N 3.16Å; D4-Y75 VanDerWaalsContact CB-O 3.29Å; D4-Y75 WeakPolarHBondContact CB-O 3.28Å; D4-P76 WeakPolarHBondContact OD1-CD 3.41Å; D4-S77 WeakPolarHBondContact OD1-CB 3.47Å; D4-S77 PolarHBondContact OD1-N 3.3Å; D4-S77 VanDerWaalsContact OD1-N 3.12Å; D4-S77 PolarHBondContact OD1-OG 3.03Å; D4-S77 PolarHBondContact OD2-OG 3.01Å
5Q85.4Confident86.1Confident72 Ų7261.4 Ų61.434%0.33633%0.326SS..Hα-helixtrans-70.2-31.2-177.6-164.4175.726.900112.3M1 S2 E3 E9M1-Q5 HydrophobicContact CE-CB 4.07Å; M1-Q5 HydrophobicContact CE-CG 3.83Å; M1-Q5 HydrophobicContact SD-CG 4.22Å; S2-Q5 PolarHBondContact O-N 2.78Å; S2-Q5 WeakPolarHBondContact OG-CB 3.39Å; S2-Q5 PolarHBondContact OG-N 3.13Å; E3-Q5 PolarHBondContact O-N 2.89Å; Q5-E9 WeakPolarHBondContact O-CG 3.29Å; Q5-E9 PolarHBondContact O-N 3.48Å
6E88.4Confident86.2Confident110 Ų11061 Ų6151%0.51433%0.334SS..Hα-helixtrans-69.7-46.8172.9-172.3170.3-173.500110.5M1 S2 E3 D4 Q8 E9 D10M1-E6 HydrophobicContact CE-CB 4.27Å; S2-E6 PolarHBondContact O-N 3.24Å; S2-E6 VanDerWaalsContact O-N 3.13Å; E3-E6 PolarHBondContact O-N 3.18Å; D4-E6 VanDerWaalsContact C-N 3.32Å; D4-E6 PolarHBondContact O-N 2.76Å; E6-Q8 VanDerWaalsContact C-N 3.31Å; E6-Q8 PolarHBondContact O-N 3.49Å; E6-E9 PolarHBondContact O-N 3.01Å; E6-D10 PolarHBondContact O-N 2.93Å
7A88Confident86.4Confident30 Ų3063.5 Ų63.525%0.24836%0.357CS..Hα-helixtrans-59.5-39.3176.400000113E3 D4 E11 P76 V113E3-A7 WeakPolarHBondContact O-CB 3.34Å; E3-A7 PolarHBondContact O-N 2.74Å; D4-A7 PolarHBondContact O-N 3.25Å; A7-E11 WeakPolarHBondContact O-CB 3.26Å; A7-E11 PolarHBondContact O-N 3.44Å; A7-P76 HydrophobicContact CB-CG 4.23Å; A7-V113 HydrophobicContact CB-CG1 4.29Å
8Q89.4Confident86.6Confident1 Ų165.4 Ų65.41%0.00537%0.365CS..Hα-helixtrans-61.1-49.1174.2-75.5175.122.600112.7D4 E6 D10 E11 L12 L71 P72 Y75D4-Q8 WeakPolarHBondContact O-CB 3.43Å; D4-Q8 WeakPolarHBondContact O-CG 3.17Å; D4-Q8 PolarHBondContact O-N 3.16Å; E6-Q8 VanDerWaalsContact C-N 3.31Å; E6-Q8 PolarHBondContact O-N 3.49Å; Q8-D10 VanDerWaalsContact C-N 3.32Å; Q8-D10 PolarHBondContact O-N 2.93Å; Q8-E11 PolarHBondContact O-N 3.47Å; Q8-L12 WeakPolarHBondContact O-CG 3.38Å; Q8-L12 PolarHBondContact O-N 3.27Å; Q8-L71 HydrophobicContact CB-CD1 4.15Å; Q8-L71 HydrophobicContact CG-CB 4.48Å; Q8-L71 HydrophobicContact CG-CD1 4.01Å; Q8-P72 PolarHBondContact NE2-O 3.19Å; Q8-Y75 HydrophobicContact CG-CD1 3.8Å; Q8-Y75 HydrophobicContact CG-CE1 4.42Å; Q8-Y75 PolarHBondContact NE2-O 3.07Å
9E88.6Confident86.6Confident47 Ų4763.7 Ų63.722%0.2235%0.353CS..Hα-helixtrans-64.2-40.9-179.9-73.8-62.2145.100111.3M1 Q5 E6 L12 L13 R26M1-E9 HydrophobicContact CE-CG 4.48Å; Q5-E9 WeakPolarHBondContact O-CG 3.29Å; Q5-E9 PolarHBondContact O-N 3.48Å; E6-E9 PolarHBondContact O-N 3.01Å; E9-L12 PolarHBondContact O-N 2.72Å; E9-L13 WeakPolarHBondContact O-CB 3.16Å; E9-L13 VanDerWaalsContact O-CG 3.23Å; E9-L13 WeakPolarHBondContact O-CG 3.29Å; E9-L13 PolarHBondContact O-N 2.83Å; E9-R26 IonicContact OE1-CZ 3.83Å; E9-R26 IonicContact OE1-NH2 2.77Å; E9-R26 PolarHBondContact OE1-NH2 2.9Å; E9-R26 IonicContact OE2-CZ 3.21Å; E9-R26 IonicContact OE2-NH1 2.83Å; E9-R26 PolarHBondContact OE2-NH1 3.5Å; E9-R26 IonicContact OE2-NH2 2.72Å; E9-R26 PolarHBondContact OE2-NH2 3.29Å
10D90.3Very high86.5Confident96 Ų9665.2 Ų65.251%0.51336%0.36SS..Hα-helixtrans-62.7-42.6176.8-75.2-11.7000111.9E6 Q8 L13 A14E6-D10 PolarHBondContact O-N 2.93Å; Q8-D10 VanDerWaalsContact C-N 3.32Å; Q8-D10 PolarHBondContact O-N 2.93Å; D10-L13 PolarHBondContact O-N 3.2Å; D10-A14 WeakPolarHBondContact O-CB 3.22Å; D10-A14 PolarHBondContact O-N 3.34Å
11E92.3Very high86.3Confident12 Ų1270.2 Ų70.26%0.05638%0.381CS..Hα-helixtrans-62.1-47.2175.3-176.1178-143.100111.6A7 Q8 L13 A14 L15 Y75 V113 V114 L115A7-E11 WeakPolarHBondContact O-CB 3.26Å; A7-E11 PolarHBondContact O-N 3.44Å; Q8-E11 PolarHBondContact O-N 3.47Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.27Å; E11-A14 PolarHBondContact O-N 2.56Å; E11-L15 HydrophobicContact CG-CD1 4.32Å; E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 3.34Å; E11-Y75 PolarHBondContact OE1-OH 3.05Å; E11-Y75 WeakPolarHBondContact OE2-CE1 3.39Å; E11-Y75 PolarHBondContact OE2-OH 2.75Å; E11-V113 HydrophobicContact CB-CB 4.24Å; E11-V113 HydrophobicContact CB-CG1 4.03Å; E11-V113 VanDerWaalsContact CD-CB 3.5Å; E11-V113 HydrophobicContact CG-CB 4.15Å; E11-V113 HydrophobicContact CG-CG1 4.46Å; E11-V113 WeakPolarHBondContact OE1-CB 3.26Å; E11-V114 PolarHBondContact OE1-N 3.13Å; E11-V114 VanDerWaalsContact OE1-N 3.08Å; E11-L115 HydrophobicContact CG-CB 4.39Å; E11-L115 HydrophobicContact CG-CD1 4.27Å; E11-L115 WeakPolarHBondContact OE1-CA 3.29Å; E11-L115 WeakPolarHBondContact OE1-CB 3.02Å; E11-L115 WeakPolarHBondContact OE1-CG 3.32Å; E11-L115 PolarHBondContact OE1-N 2.88Å
12L90.1Very high87.4Confident1 Ų168.7 Ų68.71%0.00537%0.372CS..Hα-helixtrans-65-37.3179.5-64.7178.3000112.3Q8 E9 A16 F24 F69 L71 L115Q8-L12 WeakPolarHBondContact O-CG 3.38Å; Q8-L12 PolarHBondContact O-N 3.27Å; E9-L12 PolarHBondContact O-N 2.72Å; L12-A16 WeakPolarHBondContact O-CB 3.5Å; L12-A16 PolarHBondContact O-N 2.77Å; L12-F24 HydrophobicContact CD2-CZ 3.88Å; L12-F69 HydrophobicContact CD2-CE2 3.89Å; L12-F69 HydrophobicContact CD2-CZ 3.79Å; L12-L71 HydrophobicContact CD1-CD1 4.25Å; L12-L71 HydrophobicContact CD2-CD1 4.21Å; L12-L71 HydrophobicContact CG-CD1 4.27Å; L12-L115 HydrophobicContact CD2-CD1 4.25Å
13L89.3Confident87.6Confident94 Ų9468.2 Ų68.249%0.49236%0.364SS..Hα-helixtrans-68.2-39.6175.7-75169.9000111.8E9 D10 E11 S17E9-L13 WeakPolarHBondContact O-CB 3.16Å; E9-L13 VanDerWaalsContact O-CG 3.23Å; E9-L13 WeakPolarHBondContact O-CG 3.29Å; E9-L13 PolarHBondContact O-N 2.83Å; D10-L13 PolarHBondContact O-N 3.2Å; E11-L13 VanDerWaalsContact C-N 3.33Å; E11-L13 PolarHBondContact O-N 3.27Å; L13-S17 WeakPolarHBondContact O-CB 3.2Å; L13-S17 PolarHBondContact O-N 3.47Å; L13-S17 VanDerWaalsContact O-N 3.12Å; L13-S17 PolarHBondContact O-OG 3.12Å
14A90.7Very high87.9Confident49 Ų4960.6 Ų60.641%0.40533%0.328SS..Hα-helixtrans-62.3-47.6174.500000110.7D10 E11 A16 S17 I18D10-A14 WeakPolarHBondContact O-CB 3.22Å; D10-A14 PolarHBondContact O-N 3.34Å; E11-A14 PolarHBondContact O-N 2.56Å; A14-A16 PolarHBondContact O-N 2.84Å; A14-S17 WeakPolarHBondContact O-CB 3.13Å; A14-S17 PolarHBondContact O-N 2.93Å; A14-S17 VanDerWaalsContact O-N 3.07Å; A14-I18 VanDerWaalsContact O-CG1 3.27Å; A14-I18 WeakPolarHBondContact O-CG1 3.43Å; A14-I18 PolarHBondContact O-N 3.01Å
15L89.7Confident88Confident2 Ų263.3 Ų63.31%0.0134%0.339CS..Hα-helixtrans-61-44.7177.5-69.5177.7000112.4E11 S17 I18 Y19 F24 L115 F116 I119E11-L15 HydrophobicContact CG-CD1 4.32Å; E11-L15 WeakPolarHBondContact O-CG 3.49Å; E11-L15 PolarHBondContact O-N 3.34Å; L15-S17 PolarHBondContact O-N 2.97Å; L15-I18 PolarHBondContact O-N 3.37Å; L15-Y19 HydrophobicContact CB-CD2 4.5Å; L15-Y19 HydrophobicContact CD2-CD2 4.01Å; L15-Y19 HydrophobicContact CD2-CE2 3.68Å; L15-Y19 PolarHBondContact O-N 2.77Å; L15-F24 HydrophobicContact CB-CD1 4.24Å; L15-F24 HydrophobicContact CB-CD2 4.46Å; L15-F24 HydrophobicContact CB-CE1 4.05Å; L15-F24 HydrophobicContact CB-CE2 4.27Å; L15-F24 HydrophobicContact CB-CG 4.43Å; L15-F24 HydrophobicContact CB-CZ 4.06Å; L15-F24 HydrophobicContact CD1-CE2 4.06Å; L15-F24 HydrophobicContact CD1-CZ 4.3Å; L15-L115 HydrophobicContact CD1-CB 3.78Å; L15-L115 HydrophobicContact CD1-CD1 3.84Å; L15-F116 HydrophobicContact CD2-CB 4.32Å; L15-F116 HydrophobicContact CD2-CD2 4.31Å; L15-I119 HydrophobicContact CD1-CD1 4.31Å; L15-I119 HydrophobicContact CD2-CD1 3.6Å
16A87.8Confident88Confident55 Ų5564.5 Ų64.546%0.45534%0.341SS..Hα-helixtrans-65.2-16.6176.100000113.9L12 A14 F24L12-A16 WeakPolarHBondContact O-CB 3.5Å; L12-A16 PolarHBondContact O-N 2.77Å; A14-A16 PolarHBondContact O-N 2.84Å; A16-F24 HydrophobicContact CB-CD1 4.11Å; A16-F24 HydrophobicContact CB-CE1 4.03Å
17S89.4Confident87.9Confident104 Ų10461.1 Ų61.173%0.72733%0.331SS*.Hα-helixtrans-92.2-26.8175.9-57.50000112.7L13 A14 L15L13-S17 WeakPolarHBondContact O-CB 3.2Å; L13-S17 PolarHBondContact O-N 3.47Å; L13-S17 VanDerWaalsContact O-N 3.12Å; L13-S17 PolarHBondContact O-OG 3.12Å; A14-S17 WeakPolarHBondContact O-CB 3.13Å; A14-S17 PolarHBondContact O-N 2.93Å; A14-S17 VanDerWaalsContact O-N 3.07Å; L15-S17 PolarHBondContact O-N 2.97Å
18I88.8Confident87.2Confident98 Ų9870.1 Ų70.150%0.50337%0.365SS..Hα-helixtrans-86.9-41.3-178.4-65.5164.3000110.7A14 L15 F116A14-I18 VanDerWaalsContact O-CG1 3.27Å; A14-I18 WeakPolarHBondContact O-CG1 3.43Å; A14-I18 PolarHBondContact O-N 3.01Å; L15-I18 PolarHBondContact O-N 3.37Å; I18-F116 HydrophobicContact CD1-CD2 4.2Å; I18-F116 HydrophobicContact CD1-CE2 4.08Å
19Y87.8Confident86.2Confident33 Ų3376.2 Ų76.213%0.12941%0.408CS..SBendtrans-108.8146.9-174-58.6-64.4000110.9L15 E23 I119L15-Y19 HydrophobicContact CB-CD2 4.5Å; L15-Y19 HydrophobicContact CD2-CD2 4.01Å; L15-Y19 HydrophobicContact CD2-CE2 3.68Å; L15-Y19 PolarHBondContact O-N 2.77Å; Y19-E23 WeakPolarHBondContact CD1-OE2 3.45Å; Y19-I119 HydrophobicContact CD2-CD1 4.37Å; Y19-I119 HydrophobicContact CE1-CG2 4.25Å; Y19-I119 HydrophobicContact CE2-CD1 3.81Å; Y19-I119 HydrophobicContact CE2-CG2 4.07Å; Y19-I119 VanDerWaalsContact OH-CG2 3.23Å; Y19-I119 WeakPolarHBondContact OH-CG2 3.44Å
20D85.2Confident85.5Confident93 Ų9376.2 Ų76.250%0.49742%0.416SS..  trans-76.7173.9176.766.627.6000112.1E22 E23 F24D20-E22 PolarHBondContact O-N 2.89Å; D20-E22 WeakPolarHBondContact OD1-CA 3.24Å; D20-E22 WeakPolarHBondContact OD1-CB 3.47Å; D20-E22 PolarHBondContact OD1-N 2.86Å; D20-E23 PolarHBondContact O-N 2.98Å; D20-E23 PolarHBondContact OD1-N 3.27Å; D20-F24 PolarHBondContact O-N 3.44Å
21E81Confident84.9Confident170 Ų17074.2 Ų74.279%0.79440%0.404SS*.THydrogen-bonded Turntrans-66.4-15.7178.2-66.3-168.9164.900112.9H25E21-H25 PolarHBondContact O-CE1 3.38Å; E21-H25 PolarHBondContact O-ND1 3.05Å; E21-H25 PolarHBondContact O-NE2 3Å
22E81.8Confident84.5Confident121 Ų12173.7 Ų73.757%0.56540%0.402SS*.THydrogen-bonded Turntrans-78.8-34.9174.3-63.2-163.3174.400110.9D20 K202D20-E22 PolarHBondContact O-N 2.89Å; D20-E22 WeakPolarHBondContact OD1-CA 3.24Å; D20-E22 WeakPolarHBondContact OD1-CB 3.47Å; D20-E22 PolarHBondContact OD1-N 2.86Å; E22-K202 IonicContact OE1-NZ 2.74Å; E22-K202 IonicContact OE2-NZ 2.73Å
23E85.2Confident84.5Confident46 Ų4674.1 Ų74.122%0.21541%0.406CS..THydrogen-bonded Turntrans-88.2-33.4-177.3-66.2-164.3129.900114.2Y19 D20 I35 Q36 K123Y19-E23 WeakPolarHBondContact CD1-OE2 3.45Å; D20-E23 PolarHBondContact O-N 2.98Å; D20-E23 PolarHBondContact OD1-N 3.27Å; E23-I35 CarbonylContact O-C 3.59Å; E23-I35 WeakPolarHBondContact O-CA 3.07Å; E23-Q36 PolarHBondContact O-N 2.95Å; E23-K123 IonicContact OE1-NZ 2.73Å; E23-K123 PolarHBondContact OE1-NZ 2.91Å; E23-K123 IonicContact OE2-NZ 2.79Å; E23-K123 PolarHBondContact OE2-NZ 3.43Å
24F89.9Confident84.6Confident12 Ų1272.4 Ų72.45%0.05340%0.396CS..EExtended strand (participates in β ladder)trans-132.8121.8-178178.1-109000113L12 L15 A16 D20 R26 I35 F69L12-F24 HydrophobicContact CD2-CZ 3.88Å; L15-F24 HydrophobicContact CB-CD1 4.24Å; L15-F24 HydrophobicContact CB-CD2 4.46Å; L15-F24 HydrophobicContact CB-CE1 4.05Å; L15-F24 HydrophobicContact CB-CE2 4.27Å; L15-F24 HydrophobicContact CB-CG 4.43Å; L15-F24 HydrophobicContact CB-CZ 4.06Å; L15-F24 HydrophobicContact CD1-CE2 4.06Å; L15-F24 HydrophobicContact CD1-CZ 4.3Å; A16-F24 HydrophobicContact CB-CD1 4.11Å; A16-F24 HydrophobicContact CB-CE1 4.03Å; D20-F24 PolarHBondContact O-N 3.44Å; F24-R26 HydrophobicContact CE1-CB 4.14Å; F24-R26 HydrophobicContact CZ-CB 4.37Å; F24-I35 HydrophobicContact CD2-CG1 3.71Å; F24-I35 HydrophobicContact CE2-CG1 4.16Å; F24-F69 AromaticContact CE2-CE1 3.94Å; F24-F69 HydrophobicContact CE2-CE1 3.94Å; F24-F69 AromaticContact CE2-CZ 3.86Å; F24-F69 HydrophobicContact CE2-CZ 3.86Å; F24-F69 HydrophobicContact CZ-CZ 4.4Å
25H88.4Confident84.6Confident83 Ų8370.3 Ų70.338%0.38438%0.377SS..EExtended strand (participates in β ladder)trans-119.5111.1178.4-66.986.1000111.3E21 G33 E34E21-H25 PolarHBondContact O-CE1 3.38Å; E21-H25 PolarHBondContact O-ND1 3.05Å; E21-H25 PolarHBondContact O-NE2 3Å; H25-G33 CarbonylContact O-C 3.49Å; H25-G33 WeakPolarHBondContact O-CA 3.5Å; H25-E34 HydrophobicContact CB-CB 4.34Å; H25-E34 PolarHBondContact N-O 2.78Å; H25-E34 PolarHBondContact O-N 3.37Å
26R86.5Confident84.5Confident98 Ų9872.9 Ų72.937%0.3739%0.39SS..EExtended strand (participates in β ladder)trans-79131.2173.2-175176.8172.4170.11.3111.4E9 F24E9-R26 IonicContact OE1-CZ 3.83Å; E9-R26 IonicContact OE1-NH2 2.77Å; E9-R26 PolarHBondContact OE1-NH2 2.9Å; E9-R26 IonicContact OE2-CZ 3.21Å; E9-R26 IonicContact OE2-NH1 2.83Å; E9-R26 PolarHBondContact OE2-NH1 3.5Å; E9-R26 IonicContact OE2-NH2 2.72Å; E9-R26 PolarHBondContact OE2-NH2 3.29Å; F24-R26 HydrophobicContact CE1-CB 4.14Å; F24-R26 HydrophobicContact CZ-CB 4.37Å
27A84.9Confident84.4Confident38 Ų3870.3 Ų70.331%0.31437%0.368SS..  trans-68.8135.1174.700000111S29 A30 G32A27-S29 VanDerWaalsContact C-N 3.35Å; A27-S29 PolarHBondContact O-N 2.84Å; A27-A30 HydrophobicContact CB-CB 4.44Å; A27-G32 VanDerWaalsContact CB-O 3.29Å; A27-G32 WeakPolarHBondContact CB-O 3.43Å; A27-G32 PolarHBondContact N-O 3.36Å
28K74.3Confident84.1Confident219 Ų21968.3 Ų68.395%0.95235%0.354SS*.SBendtrans-75.8-21.1-177.4-65.8-177.7-178.91770113.9
29S68.2Low83.8Confident129 Ų12964.4 Ų64.490%0.90233%0.334SS*.SBendtrans-122.4-5.5-169.553.80000114.6A27A27-S29 VanDerWaalsContact C-N 3.35Å; A27-S29 PolarHBondContact O-N 2.84Å
30A73.3Confident83.2Confident48 Ų4870.9 Ų70.940%0.39737%0.365SS..SBendtrans-137.4153.3-179.400000109.7A27 G32A27-A30 HydrophobicContact CB-CB 4.44Å; A30-G32 PolarHBondContact O-N 3.37Å
31Q77.8Confident83Confident54 Ų5467.8 Ų67.825%0.25235%0.348SS..SBendtrans-76.175.4170.1-71.3-176.6-54.900108.5L71Q31-L71 HydrophobicContact CB-CB 4.31Å; Q31-L71 WeakPolarHBondContact O-CB 3.23Å; Q31-L71 PolarHBondContact O-N 3.18Å
32G84.9Confident82.8Confident1 Ų163.1 Ų63.11%0.0133%0.333CS..EExtended strand (participates in β ladder)trans-166.8-179.4-175.700000111.6A27 A30 F69A27-G32 VanDerWaalsContact CB-O 3.29Å; A27-G32 WeakPolarHBondContact CB-O 3.43Å; A27-G32 PolarHBondContact N-O 3.36Å; A30-G32 PolarHBondContact O-N 3.37Å; G32-F69 CarbonylContact C-O 3.51Å; G32-F69 WeakPolarHBondContact CA-O 3.13Å
33G89.1Confident82.3Confident10 Ų1063 Ų6310%0.10334%0.343CS..EExtended strand (participates in β ladder)trans-173177.4-178.100000113.7H25 F69H25-G33 CarbonylContact O-C 3.49Å; H25-G33 WeakPolarHBondContact O-CA 3.5Å; G33-F69 PolarHBondContact N-O 3.18Å; G33-F69 VanDerWaalsContact O-CD1 3.28Å; G33-F69 WeakPolarHBondContact O-CD1 3.38Å; G33-F69 PolarHBondContact O-N 2.95Å
34E91.4Very high81.7Confident58 Ų5865.4 Ų65.427%0.27136%0.364SS..EExtended strand (participates in β ladder)trans-116.8132.6172.7-176.5-179.985.900108.5H25 Q36 V66 N68H25-E34 HydrophobicContact CB-CB 4.34Å; H25-E34 PolarHBondContact N-O 2.78Å; H25-E34 PolarHBondContact O-N 3.37Å; E34-Q36 HydrophobicContact CG-CG 4.37Å; E34-Q36 PolarHBondContact OE1-NE2 3.4Å; E34-V66 HydrophobicContact CG-CG1 3.48Å; E34-V66 VanDerWaalsContact CG-CG1 3.48Å; E34-V66 WeakPolarHBondContact OE2-CG1 3.2Å; E34-N68 WeakPolarHBondContact CB-OD1 3.36Å; E34-N68 WeakPolarHBondContact CG-OD1 3.48Å; E34-N68 PolarHBondContact OE2-OD1 3Å
35I90.6Very high81.3Confident4 Ų464.9 Ų64.92%0.02136%0.362CS..EExtended strand (participates in β ladder)trans-114.4124.7171.4-57.8149000108.2E23 F24 L37 V66 L67 F69 I119E23-I35 CarbonylContact O-C 3.59Å; E23-I35 WeakPolarHBondContact O-CA 3.07Å; F24-I35 HydrophobicContact CD2-CG1 3.71Å; F24-I35 HydrophobicContact CE2-CG1 4.16Å; I35-L37 HydrophobicContact CG2-CD2 3.59Å; I35-L37 HydrophobicContact CG2-CG 3.86Å; I35-V66 WeakPolarHBondContact O-CA 3.39Å; I35-L67 HydrophobicContact CB-CB 4.36Å; I35-L67 HydrophobicContact CD1-CD2 3.72Å; I35-L67 HydrophobicContact CD1-CG 4.43Å; I35-L67 PolarHBondContact N-O 3.47Å; I35-L67 PolarHBondContact O-N 3.5Å; I35-F69 HydrophobicContact CD1-CD1 3.76Å; I35-F69 HydrophobicContact CD1-CE1 3.6Å; I35-F69 HydrophobicContact CG1-CD1 4.3Å; I35-F69 HydrophobicContact CG1-CE1 3.87Å; I35-I119 HydrophobicContact CD1-CD1 3.84Å; I35-I119 HydrophobicContact CD1-CG1 3.98Å; I35-I119 HydrophobicContact CG1-CD1 4.25Å; I35-I119 HydrophobicContact CG2-CD1 4.17Å; I35-I119 HydrophobicContact CG2-CG1 4.07Å
36Q89.3Confident81Confident57 Ų5764.1 Ų64.127%0.26636%0.357SS..EExtended strand (participates in β ladder)trans-104.2114.5175.3-60.1-169.37.300109.6E23 E34 P64 V66E23-Q36 PolarHBondContact O-N 2.95Å; E34-Q36 HydrophobicContact CG-CG 4.37Å; E34-Q36 PolarHBondContact OE1-NE2 3.4Å; Q36-P64 HydrophobicContact CB-CB 4.07Å; Q36-P64 HydrophobicContact CB-CG 4.38Å; Q36-V66 HydrophobicContact CG-CG2 4.4Å
37L85.4Confident80.7Confident0 Ų059.4 Ų59.40%034%0.34CS..EExtended strand (participates in β ladder)trans-106.6101.1-171.7-57.7160.2000109.8I35 L39 P64 L65 I119 L122 K123I35-L37 HydrophobicContact CG2-CD2 3.59Å; I35-L37 HydrophobicContact CG2-CG 3.86Å; L37-L39 HydrophobicContact CB-CD2 4.28Å; L37-L39 PolarHBondContact O-N 2.82Å; L37-P64 VanDerWaalsContact O-CA 3.28Å; L37-P64 WeakPolarHBondContact O-CA 3.33Å; L37-L65 HydrophobicContact CB-CB 4.21Å; L37-L65 WeakPolarHBondContact CB-O 3.2Å; L37-L65 HydrophobicContact CD1-CD2 4.21Å; L37-L65 HydrophobicContact CD1-CG 4.46Å; L37-L65 PolarHBondContact N-O 3.14Å; L37-L65 PolarHBondContact O-N 3.08Å; L37-I119 HydrophobicContact CD2-CB 4.41Å; L37-I119 HydrophobicContact CD2-CG1 4.38Å; L37-I119 HydrophobicContact CD2-CG2 3.79Å; L37-L122 HydrophobicContact CD1-CB 3.64Å; L37-L122 HydrophobicContact CD1-CD1 3.42Å; L37-L122 VanDerWaalsContact CD1-CD1 3.42Å; L37-L122 HydrophobicContact CD1-CG 4.16Å; L37-K123 HydrophobicContact CD2-CD 4.33Å; L37-K123 HydrophobicContact CD2-CG 3.82Å
38C83Confident80.4Confident63 Ų6358.3 Ų58.343%0.42633%0.328SS..  trans-76.6106.7168.3-68.90000108.9
39L81.3Confident80.4Confident16 Ų1648.3 Ų48.38%0.08429%0.285CS..PPolyproline II helixtrans-78.9137.1-178.8-52-174000110.9L37 L41 W89 L122 F127L37-L39 HydrophobicContact CB-CD2 4.28Å; L37-L39 PolarHBondContact O-N 2.82Å; L39-L41 PolarHBondContact O-N 3.4Å; L39-W89 HydrophobicContact CD1-CH2 3.38Å; L39-W89 HydrophobicContact CD1-CZ2 3.41Å; L39-W89 VanDerWaalsContact CD1-CZ2 3.41Å; L39-W89 HydrophobicContact CG-CZ2 4.25Å; L39-L122 WeakPolarHBondContact CD2-O 3.37Å; L39-F127 HydrophobicContact CB-CD2 4.11Å; L39-F127 HydrophobicContact CB-CE2 3.32Å; L39-F127 HydrophobicContact CB-CZ 3.95Å; L39-F127 HydrophobicContact CD1-CD2 4.29Å; L39-F127 HydrophobicContact CD1-CE2 3.77Å; L39-F127 HydrophobicContact CD1-CZ 3.86Å; L39-F127 HydrophobicContact CG-CE2 4.22Å
40E76.3Confident80.1Confident169 Ų16947 Ų4779%0.7927%0.269SS*.PPolyproline II helixtrans-73.4118.3176.4-65.6-169.3172.300110.4
41L79.8Confident79.4Confident28 Ų2846.5 Ų46.515%0.14727%0.267CS..PPolyproline II helixtrans-86142.3176.5-62.3-179.5000111L39 F45 I59 L62 F127L39-L41 PolarHBondContact O-N 3.4Å; L41-F45 HydrophobicContact CB-CB 4.14Å; L41-F45 HydrophobicContact CB-CG 4.43Å; L41-F45 HydrophobicContact CD1-CB 4.3Å; L41-F45 HydrophobicContact CD1-CD1 4.23Å; L41-F45 HydrophobicContact CD1-CG 4.33Å; L41-F45 HydrophobicContact CD2-CD1 4.38Å; L41-F45 HydrophobicContact CD2-CD2 4.35Å; L41-F45 HydrophobicContact CD2-CE2 4.49Å; L41-F45 HydrophobicContact CD2-CG 4.28Å; L41-I59 HydrophobicContact CD1-CD1 3.96Å; L41-I59 HydrophobicContact CD1-CG1 4.21Å; L41-L62 HydrophobicContact CD1-CD1 4.37Å; L41-L62 HydrophobicContact CD1-CG 3.93Å; L41-L62 HydrophobicContact CD2-CD1 3.81Å; L41-L62 HydrophobicContact CD2-CG 4.23Å; L41-F127 HydrophobicContact CD2-CE1 4.22Å; L41-F127 HydrophobicContact CD2-CE2 3.68Å; L41-F127 HydrophobicContact CD2-CZ 3.34Å
42P77.1Confident78.2Confident71 Ų7152.6 Ų52.646%0.46130%0.302SS..PPolyproline II helixtrans-54.1151.5166.4-24.633.1000112S44 F45P42-S44 PolarHBondContact O-N 2.79Å; P42-F45 HydrophobicContact CG-CD2 4.45Å; P42-F45 PolarHBondContact O-N 2.93Å
43P72.6Confident76.9Confident120 Ų12061 Ų6178%0.77934%0.338SS*.THydrogen-bonded Turntrans-58.5140.5174.225.2-33.2000110.2
44S72.4Confident76.1Confident95 Ų9567.1 Ų67.166%0.66436%0.364SS*.THydrogen-bonded Turntrans5842.4-177.355.20000114.7P42P42-S44 PolarHBondContact O-N 2.79Å
45F80.1Confident75.3Confident2 Ų267.2 Ų67.21%0.00937%0.369CS..EExtended strand (participates in β ladder)trans-68.3132.1172.5-165.6-91000111L41 P42 L47 I59 V132 L136L41-F45 HydrophobicContact CB-CB 4.14Å; L41-F45 HydrophobicContact CB-CG 4.43Å; L41-F45 HydrophobicContact CD1-CB 4.3Å; L41-F45 HydrophobicContact CD1-CD1 4.23Å; L41-F45 HydrophobicContact CD1-CG 4.33Å; L41-F45 HydrophobicContact CD2-CD1 4.38Å; L41-F45 HydrophobicContact CD2-CD2 4.35Å; L41-F45 HydrophobicContact CD2-CE2 4.49Å; L41-F45 HydrophobicContact CD2-CG 4.28Å; P42-F45 HydrophobicContact CG-CD2 4.45Å; P42-F45 PolarHBondContact O-N 2.93Å; F45-L47 HydrophobicContact CE1-CD2 4.17Å; F45-I59 HydrophobicContact CB-CG1 4.48Å; F45-I59 HydrophobicContact CD1-CD1 3.78Å; F45-I59 HydrophobicContact CD1-CG1 3.75Å; F45-I59 HydrophobicContact CE1-CD1 4.2Å; F45-I59 PolarHBondContact O-N 2.83Å; F45-V132 HydrophobicContact CZ-CG1 4.31Å; F45-L136 HydrophobicContact CE1-CB 3.73Å; F45-L136 HydrophobicContact CZ-CB 3.8Å
46K82.4Confident75Confident66 Ų6672.7 Ų72.729%0.28739%0.394SS..EExtended strand (participates in β ladder)trans-113.9142.1-175.1-69.9-177.5172.9-166.80112E56 Y57 D58 S134 P135 L136K46-E56 WeakPolarHBondContact CD-OE2 3.32Å; K46-E56 IonicContact NZ-OE2 2.66Å; K46-E56 PolarHBondContact NZ-OE2 2.94Å; K46-Y57 CarbonylContact C-O 3.45Å; K46-Y57 VanDerWaalsContact CA-O 3.28Å; K46-Y57 WeakPolarHBondContact CA-O 3.23Å; K46-D58 VanDerWaalsContact CE-OD1 3.29Å; K46-D58 WeakPolarHBondContact CE-OD1 3.35Å; K46-D58 WeakPolarHBondContact CG-OD1 3.38Å; K46-S134 PolarHBondContact N-OG 3.48Å; K46-S134 VanDerWaalsContact N-OG 3.11Å; K46-P135 HydrophobicContact CB-CB 4.02Å; K46-P135 CarbonylContact O-C 3.3Å; K46-P135 WeakPolarHBondContact O-CA 3.44Å; K46-L136 PolarHBondContact O-N 2.8Å
47L81.4Confident74.6Confident0 Ų074 Ų740%040%0.397CS..EExtended strand (participates in β ladder)trans-99.7134.2163.9-59.4-178.4000109.3F45 E56 Y57 I59 L136 V138 L189 L192F45-L47 HydrophobicContact CE1-CD2 4.17Å; L47-E56 CarbonylContact O-C 3.47Å; L47-E56 WeakPolarHBondContact O-CA 3.25Å; L47-Y57 PolarHBondContact N-O 3.34Å; L47-Y57 PolarHBondContact O-N 2.77Å; L47-I59 HydrophobicContact CD1-CD1 3.92Å; L47-I59 HydrophobicContact CD1-CG1 4.47Å; L47-I59 HydrophobicContact CD1-CG2 3.89Å; L47-I59 HydrophobicContact CD2-CD1 3.64Å; L47-I59 HydrophobicContact CD2-CG1 4.37Å; L47-I59 HydrophobicContact CG-CD1 3.65Å; L47-I59 HydrophobicContact CG-CG1 4Å; L47-I59 HydrophobicContact CG-CG2 4.12Å; L47-L136 WeakPolarHBondContact CA-O 3.3Å; L47-L136 HydrophobicContact CD2-CB 3.77Å; L47-L136 HydrophobicContact CD2-CD2 3.76Å; L47-L136 HydrophobicContact CD2-CG 4.27Å; L47-V138 HydrophobicContact CD2-CG2 4.39Å; L47-L189 HydrophobicContact CD1-CD1 4.28Å; L47-L192 HydrophobicContact CD1-CB 4.08Å; L47-L192 HydrophobicContact CD1-CD1 3.93Å
48I78.8Confident74.5Confident15 Ų1578.5 Ų78.58%0.07742%0.422CS..EExtended strand (participates in β ladder)trans-113.4134166.4-74.8-179.1000108.7Q54 E56 P135 L136 E137 V138I48-Q54 HydrophobicContact CG2-CG 4.32Å; I48-E56 HydrophobicContact CD1-CG 3.99Å; I48-E56 HydrophobicContact CG1-CG 3.71Å; I48-P135 HydrophobicContact CB-CB 4.14Å; I48-P135 HydrophobicContact CD1-CB 3.56Å; I48-P135 HydrophobicContact CD1-CG 3.27Å; I48-P135 HydrophobicContact CG1-CB 3.55Å; I48-P135 HydrophobicContact CG1-CG 3.88Å; I48-L136 PolarHBondContact N-O 2.73Å; I48-E137 CarbonylContact O-C 3.51Å; I48-E137 WeakPolarHBondContact O-CA 3.28Å; I48-V138 PolarHBondContact O-N 3.44Å
49V73.1Confident74.6Confident8 Ų875.7 Ų75.75%0.04840%0.402CS..EExtended strand (participates in β ladder)trans-101.8119.7172.2-176.80000108G51 T55 Y57 K140 L189V49-G51 PolarHBondContact O-N 2.84Å; V49-T55 PolarHBondContact N-O 3.05Å; V49-Y57 HydrophobicContact CG2-CE2 4.14Å; V49-K140 HydrophobicContact CG1-CB 4.05Å; V49-K140 HydrophobicContact CG1-CD 4.28Å; V49-K140 HydrophobicContact CG1-CG 4.48Å; V49-L189 HydrophobicContact CG2-CB 4.45Å; V49-L189 HydrophobicContact CG2-CD1 3.58Å; V49-L189 HydrophobicContact CG2-CD2 3.55Å; V49-L189 HydrophobicContact CG2-CG 4.02Å
50D61.8Low74.7Confident103 Ų10377.6 Ų77.655%0.55142%0.417SS*.EExtended strand (participates in β ladder)trans-78.8121.6173.3-162.315.3000109.9V138D50-V138 PolarHBondContact N-O 3.47Å
51G58.4Low75.1Confident36 Ų3672.8 Ų72.837%0.37139%0.393SS..SBendtrans-174.3176.8-175.900000109V49 K53V49-G51 PolarHBondContact O-N 2.84Å; G51-K53 CarbonylContact O-C 3.48Å; G51-K53 PolarHBondContact O-N 3.39Å
52N52.5Low75.4Confident182 Ų18271.8 Ų71.897%0.97339%0.388SS*.SBendtrans-51.8-14-176.3-77.4-5.4000115.4
53K58.6Low75.7Confident177 Ų17768.8 Ų68.877%0.7737%0.369SS*.SBendtrans-140.5124.9165.9-66.9-176.4178.4-179.10109.1G51 T55G51-K53 CarbonylContact O-C 3.48Å; G51-K53 PolarHBondContact O-N 3.39Å; K53-T55 PolarHBondContact O-N 3.05Å
54Q71.4Confident76.4Confident140 Ų14064.2 Ų64.265%0.65434%0.339SS*.  trans-66.6121.9170.7-74.2178.1-22.100109.5I48I48-Q54 HydrophobicContact CG2-CG 4.32Å
55T75.6Confident77.2Confident60 Ų6059.7 Ų59.737%0.36831%0.308SS..EExtended strand (participates in β ladder)trans-118.4126.2173.749.50000109V49 K53 Y57V49-T55 PolarHBondContact N-O 3.05Å; K53-T55 PolarHBondContact O-N 3.05Å; T55-Y57 WeakPolarHBondContact OG1-CE2 3.34Å
56E83.2Confident77.6Confident118 Ų11860.7 Ų60.755%0.55131%0.313SS*.EExtended strand (participates in β ladder)trans-94.7137.2177.9-71.3177.9-157.700110.9K46 L47 I48K46-E56 WeakPolarHBondContact CD-OE2 3.32Å; K46-E56 IonicContact NZ-OE2 2.66Å; K46-E56 PolarHBondContact NZ-OE2 2.94Å; L47-E56 CarbonylContact O-C 3.47Å; L47-E56 WeakPolarHBondContact O-CA 3.25Å; I48-E56 HydrophobicContact CD1-CG 3.99Å; I48-E56 HydrophobicContact CG1-CG 3.71Å
57Y81.6Confident78Confident84 Ų8457.5 Ų57.533%0.32930%0.3SS..EExtended strand (participates in β ladder)trans-127.6129.5175.3-60.5-91.1000111.1K46 L47 V49 T55 L189 L193K46-Y57 CarbonylContact C-O 3.45Å; K46-Y57 VanDerWaalsContact CA-O 3.28Å; K46-Y57 WeakPolarHBondContact CA-O 3.23Å; L47-Y57 PolarHBondContact N-O 3.34Å; L47-Y57 PolarHBondContact O-N 2.77Å; V49-Y57 HydrophobicContact CG2-CE2 4.14Å; T55-Y57 WeakPolarHBondContact OG1-CE2 3.34Å; Y57-L189 HydrophobicContact CD2-CD1 4.11Å; Y57-L189 HydrophobicContact CE2-CD1 4.17Å; Y57-L189 HydrophobicContact CE2-CD2 3.95Å; Y57-L193 HydrophobicContact CD1-CD1 3.96Å; Y57-L193 HydrophobicContact CD1-CD2 4.11Å; Y57-L193 HydrophobicContact CE1-CD1 3.98Å; Y57-L193 HydrophobicContact CG-CD1 4.45Å; Y57-L193 HydrophobicContact CG-CD2 4.16Å
58D83.2Confident78.4Confident96 Ų9660.1 Ų60.151%0.51331%0.314SS..EExtended strand (participates in β ladder)trans-85.7114.8176.1-65.8-51.5000111.4K46 R200K46-D58 VanDerWaalsContact CE-OD1 3.29Å; K46-D58 WeakPolarHBondContact CE-OD1 3.35Å; K46-D58 WeakPolarHBondContact CG-OD1 3.38Å; D58-R200 PolarHBondContact O-NH1 2.84Å; D58-R200 PolarHBondContact O-NH2 2.75Å
59I85.4Confident79Confident3 Ų359.8 Ų59.82%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-115.9156.317862.7161.2000111.5L41 F45 L47 L62 L193 D196 R200L41-I59 HydrophobicContact CD1-CD1 3.96Å; L41-I59 HydrophobicContact CD1-CG1 4.21Å; F45-I59 HydrophobicContact CB-CG1 4.48Å; F45-I59 HydrophobicContact CD1-CD1 3.78Å; F45-I59 HydrophobicContact CD1-CG1 3.75Å; F45-I59 HydrophobicContact CE1-CD1 4.2Å; F45-I59 PolarHBondContact O-N 2.83Å; L47-I59 HydrophobicContact CD1-CD1 3.92Å; L47-I59 HydrophobicContact CD1-CG1 4.47Å; L47-I59 HydrophobicContact CD1-CG2 3.89Å; L47-I59 HydrophobicContact CD2-CD1 3.64Å; L47-I59 HydrophobicContact CD2-CG1 4.37Å; L47-I59 HydrophobicContact CG-CD1 3.65Å; L47-I59 HydrophobicContact CG-CG1 4Å; L47-I59 HydrophobicContact CG-CG2 4.12Å; I59-L62 HydrophobicContact CD1-CD2 3.42Å; I59-L62 VanDerWaalsContact CD1-CD2 3.42Å; I59-L62 HydrophobicContact CD1-CG 3.77Å; I59-L193 HydrophobicContact CG2-CD2 4.06Å; I59-D196 HydrophobicContact CB-CB 4.39Å; I59-D196 HydrophobicContact CG2-CB 4.24Å; I59-R200 VanDerWaalsContact C-NH2 3.29Å
60S83Confident79.8Confident56 Ų5665.2 Ų65.239%0.39234%0.337SS..SBendtrans-120.6-19.3176-61.20000112.3D196 R200S60-D196 PolarHBondContact N-OD1 3.3Å; S60-R200 PolarHBondContact OG-NE 2.66Å; S60-R200 PolarHBondContact OG-NH2 3.28Å
61F85Confident81.2Confident68 Ų6860.9 Ų60.930%0.29831%0.313SS..  trans-135.8142.8-179.9-53.6-83.3000111.2F195 D196 Q199 R200 V203F61-F195 HydrophobicContact CB-CE1 4.31Å; F61-D196 PolarHBondContact N-OD1 3.44Å; F61-Q199 HydrophobicContact CB-CB 3.78Å; F61-Q199 HydrophobicContact CB-CG 4.12Å; F61-Q199 HydrophobicContact CD1-CB 4.12Å; F61-Q199 HydrophobicContact CD2-CB 3.61Å; F61-Q199 HydrophobicContact CE2-CB 4.24Å; F61-Q199 HydrophobicContact CG-CB 3.55Å; F61-Q199 HydrophobicContact CG-CG 4.31Å; F61-R200 HydrophobicContact CD2-CG 3.79Å; F61-R200 HydrophobicContact CE2-CB 4.39Å; F61-R200 HydrophobicContact CE2-CG 3.61Å; F61-V203 HydrophobicContact CE1-CG2 4.36Å; F61-V203 HydrophobicContact CZ-CG2 3.82Å
62L85.3Confident82.7Confident7 Ų760.5 Ų60.54%0.03730%0.304CS..  trans-116.2151.4169.5-78.3176.1000109.8L41 I59 W89 F127 L192 F195L41-L62 HydrophobicContact CD1-CD1 4.37Å; L41-L62 HydrophobicContact CD1-CG 3.93Å; L41-L62 HydrophobicContact CD2-CD1 3.81Å; L41-L62 HydrophobicContact CD2-CG 4.23Å; I59-L62 HydrophobicContact CD1-CD2 3.42Å; I59-L62 VanDerWaalsContact CD1-CD2 3.42Å; I59-L62 HydrophobicContact CD1-CG 3.77Å; L62-W89 HydrophobicContact CD1-CD2 3.78Å; L62-W89 HydrophobicContact CD1-CE3 3.86Å; L62-W89 HydrophobicContact CD1-CG 4.22Å; L62-W89 HydrophobicContact CD1-CH2 4.5Å; L62-W89 HydrophobicContact CD1-CZ2 4.41Å; L62-W89 HydrophobicContact CD1-CZ3 4.2Å; L62-W89 HydrophobicContact CD2-CG 4.4Å; L62-F127 HydrophobicContact CD1-CZ 4.42Å; L62-L192 HydrophobicContact CD2-CD1 4.47Å; L62-L192 HydrophobicContact CD2-CD2 4.14Å; L62-F195 WeakPolarHBondContact O-CE1 3.49Å
63P84.8Confident84.3Confident9 Ų955.6 Ų55.66%0.05829%0.289CS..PPolyproline II helixtrans-52.7144.1172.6-25.934.4000111.9K88 W89 L192 F195P63-K88 HydrophobicContact CB-CD 4.37Å; P63-W89 PolarHBondContact O-NE1 2.67Å; P63-L192 VanDerWaalsContact CD-CD2 3.48Å; P63-L192 HydrophobicContact CG-CD2 3.66Å; P63-F195 HydrophobicContact CB-CD1 4.43Å; P63-F195 HydrophobicContact CB-CD2 4.48Å; P63-F195 HydrophobicContact CB-CG 4.36Å; P63-F195 HydrophobicContact CG-CB 4.02Å; P63-F195 HydrophobicContact CG-CD1 4.03Å; P63-F195 HydrophobicContact CG-CD2 4.42Å; P63-F195 HydrophobicContact CG-CG 3.89Å
64P87.3Confident85.7Confident24 Ų2449.9 Ų49.916%0.15627%0.267CS..PPolyproline II helixtrans-63.2146.7-174.225.5-34.3000111.8Q36 L37Q36-P64 HydrophobicContact CB-CB 4.07Å; Q36-P64 HydrophobicContact CB-CG 4.38Å; L37-P64 VanDerWaalsContact O-CA 3.28Å; L37-P64 WeakPolarHBondContact O-CA 3.33Å
65L87.9Confident86.4Confident0 Ų043.2 Ų43.20%024%0.236CC..EExtended strand (participates in β ladder)trans-76.3123.2163.3176.371.2000107.7L37 L85 S86 L90 L98 L122L37-L65 HydrophobicContact CB-CB 4.21Å; L37-L65 WeakPolarHBondContact CB-O 3.2Å; L37-L65 HydrophobicContact CD1-CD2 4.21Å; L37-L65 HydrophobicContact CD1-CG 4.46Å; L37-L65 PolarHBondContact N-O 3.14Å; L37-L65 PolarHBondContact O-N 3.08Å; L65-L85 HydrophobicContact CD1-CD2 3.72Å; L65-L85 HydrophobicContact CD1-CG 4.04Å; L65-L85 HydrophobicContact CD2-CD2 4.15Å; L65-L85 HydrophobicContact CG-CD2 4.37Å; L65-L85 HydrophobicContact CG-CG 4.45Å; L65-S86 WeakPolarHBondContact CD1-O 2.97Å; L65-L90 HydrophobicContact CD1-CD1 4.15Å; L65-L98 HydrophobicContact CD2-CD1 4.16Å; L65-L122 HydrophobicContact CD2-CD1 4.36Å; L65-L122 HydrophobicContact CD2-CD2 3.89Å; L65-L122 HydrophobicContact CD2-CG 4.49Å
66V89.8Confident86.9Confident22 Ų2240.7 Ų40.713%0.13322%0.221CC..EExtended strand (participates in β ladder)trans-102.9121-176.7-175.10000109.5E34 I35 Q36 S86E34-V66 HydrophobicContact CG-CG1 3.48Å; E34-V66 VanDerWaalsContact CG-CG1 3.48Å; E34-V66 WeakPolarHBondContact OE2-CG1 3.2Å; I35-V66 WeakPolarHBondContact O-CA 3.39Å; Q36-V66 HydrophobicContact CG-CG2 4.4Å; V66-S86 WeakPolarHBondContact CB-OG 3.46Å; V66-S86 PolarHBondContact N-O 3.17Å; V66-S86 PolarHBondContact O-N 2.94Å
67L90.7Very high87Confident0 Ų038.4 Ų38.40%022%0.217CC..EExtended strand (participates in β ladder)trans-107.3109.5172.9174.274.4000108.2I35 Y83 L85 L102 W118 L122I35-L67 HydrophobicContact CB-CB 4.36Å; I35-L67 HydrophobicContact CD1-CD2 3.72Å; I35-L67 HydrophobicContact CD1-CG 4.43Å; I35-L67 PolarHBondContact N-O 3.47Å; I35-L67 PolarHBondContact O-N 3.5Å; L67-Y83 HydrophobicContact CD1-CD2 3.63Å; L67-Y83 HydrophobicContact CD1-CG 3.98Å; L67-L85 HydrophobicContact CD1-CD1 3.75Å; L67-L102 HydrophobicContact CD1-CD1 4.47Å; L67-W118 HydrophobicContact CD2-CE3 4.18Å; L67-L122 HydrophobicContact CD2-CD1 4.38Å
68N89.7Confident87.2Confident55 Ų5538.7 Ų38.729%0.29423%0.232SC..EExtended strand (participates in β ladder)trans-94.9132.9170.5-74-66.6000108.8E34 Y83 T84E34-N68 WeakPolarHBondContact CB-OD1 3.36Å; E34-N68 WeakPolarHBondContact CG-OD1 3.48Å; E34-N68 PolarHBondContact OE2-OD1 3Å; N68-Y83 CarbonylContact O-C 3.59Å; N68-Y83 WeakPolarHBondContact O-CA 3.27Å; N68-Y83 WeakPolarHBondContact O-CB 3.4Å; N68-T84 WeakPolarHBondContact CB-OG1 3.43Å; N68-T84 PolarHBondContact N-O 3.27Å; N68-T84 PolarHBondContact O-N 2.93Å
69F91.1Very high87.4Confident7 Ų736.3 Ų36.33%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-138.7152.5-178.872.3-84.9000113.1L12 F24 G32 G33 I35 L71 V82 L115L12-F69 HydrophobicContact CD2-CE2 3.89Å; L12-F69 HydrophobicContact CD2-CZ 3.79Å; F24-F69 AromaticContact CE2-CE1 3.94Å; F24-F69 HydrophobicContact CE2-CE1 3.94Å; F24-F69 AromaticContact CE2-CZ 3.86Å; F24-F69 HydrophobicContact CE2-CZ 3.86Å; F24-F69 HydrophobicContact CZ-CZ 4.4Å; G32-F69 CarbonylContact C-O 3.51Å; G32-F69 WeakPolarHBondContact CA-O 3.13Å; G33-F69 PolarHBondContact N-O 3.18Å; G33-F69 VanDerWaalsContact O-CD1 3.28Å; G33-F69 WeakPolarHBondContact O-CD1 3.38Å; G33-F69 PolarHBondContact O-N 2.95Å; I35-F69 HydrophobicContact CD1-CD1 3.76Å; I35-F69 HydrophobicContact CD1-CE1 3.6Å; I35-F69 HydrophobicContact CG1-CD1 4.3Å; I35-F69 HydrophobicContact CG1-CE1 3.87Å; F69-L71 HydrophobicContact CD2-CD2 3.84Å; F69-L71 HydrophobicContact CD2-CG 4.09Å; F69-L71 HydrophobicContact CE2-CD1 4.31Å; F69-L71 HydrophobicContact CE2-CD2 4.08Å; F69-L71 HydrophobicContact CE2-CG 4.03Å; F69-V82 CarbonylContact C-O 3.45Å; F69-V82 WeakPolarHBondContact CA-O 3.45Å; F69-L115 HydrophobicContact CD1-CD2 4.43Å; F69-L115 HydrophobicContact CD2-CD1 3.98Å; F69-L115 HydrophobicContact CD2-CD2 3.96Å; F69-L115 HydrophobicContact CE1-CD1 4.39Å; F69-L115 HydrophobicContact CE2-CD1 3.46Å; F69-L115 VanDerWaalsContact CE2-CD1 3.46Å; F69-L115 HydrophobicContact CE2-CD2 4.27Å; F69-L115 HydrophobicContact CG-CD2 4.05Å; F69-L115 HydrophobicContact CZ-CD1 3.69Å
70E90.6Very high87.6Confident123 Ų12337.9 Ų37.958%0.57523%0.234SC*.EExtended strand (participates in β ladder)trans-131.3137171-65.3-174.7171.200108.8P72 V82E70-P72 WeakPolarHBondContact O-CD 3.38Å; E70-V82 HydrophobicContact CB-CB 4.49Å; E70-V82 PolarHBondContact N-O 3.3Å; E70-V82 PolarHBondContact O-N 3.23Å
71L90.1Very high87.9Confident12 Ų1235.3 Ų35.36%0.06322%0.216CC..  trans-97.1117.5-177.9-56.9-179.5000109.5Q8 L12 Q31 F69 Y75 P81 L115Q8-L71 HydrophobicContact CB-CD1 4.15Å; Q8-L71 HydrophobicContact CG-CB 4.48Å; Q8-L71 HydrophobicContact CG-CD1 4.01Å; L12-L71 HydrophobicContact CD1-CD1 4.25Å; L12-L71 HydrophobicContact CD2-CD1 4.21Å; L12-L71 HydrophobicContact CG-CD1 4.27Å; Q31-L71 HydrophobicContact CB-CB 4.31Å; Q31-L71 WeakPolarHBondContact O-CB 3.23Å; Q31-L71 PolarHBondContact O-N 3.18Å; F69-L71 HydrophobicContact CD2-CD2 3.84Å; F69-L71 HydrophobicContact CD2-CG 4.09Å; F69-L71 HydrophobicContact CE2-CD1 4.31Å; F69-L71 HydrophobicContact CE2-CD2 4.08Å; F69-L71 HydrophobicContact CE2-CG 4.03Å; L71-Y75 HydrophobicContact CB-CD1 4.41Å; L71-Y75 HydrophobicContact CD1-CD1 4.49Å; L71-Y75 HydrophobicContact CD2-CD1 3.85Å; L71-Y75 HydrophobicContact CD2-CE1 3.83Å; L71-Y75 HydrophobicContact CD2-CG 4.48Å; L71-Y75 HydrophobicContact CG-CD1 4.48Å; L71-P81 HydrophobicContact CD2-CB 3.87Å; L71-P81 HydrophobicContact CD2-CG 3.91Å; L71-L115 HydrophobicContact CD2-CD1 4.28Å
72P89.5Confident88.1Confident28 Ų2836.3 Ų36.318%0.18223%0.227CC..  trans-62.3158.3170.1-24.236000112.3Q8 E70 D74 Y75 S80 V82Q8-P72 PolarHBondContact NE2-O 3.19Å; E70-P72 WeakPolarHBondContact O-CD 3.38Å; P72-D74 WeakPolarHBondContact CB-OD1 3.48Å; P72-D74 PolarHBondContact O-N 2.93Å; P72-D74 VanDerWaalsContact O-N 3.16Å; P72-Y75 PolarHBondContact O-N 3.12Å; P72-S80 WeakPolarHBondContact CG-O 3.45Å; P72-V82 HydrophobicContact CG-CG2 4.23Å
73A87.1Confident88.4Confident79 Ų7936.2 Ų36.265%0.65323%0.227SC*.THydrogen-bonded Turntrans-66.1-18.2-178.600000114.2
74D87.5Confident88.6Confident57 Ų5738.4 Ų38.431%0.30524%0.24SC..THydrogen-bonded Turntrans-107.110.4-177.563.9-44.9000113.3P72 S77 S78 S79P72-D74 WeakPolarHBondContact CB-OD1 3.48Å; P72-D74 PolarHBondContact O-N 2.93Å; P72-D74 VanDerWaalsContact O-N 3.16Å; D74-S77 PolarHBondContact O-N 3.27Å; D74-S78 PolarHBondContact O-N 2.78Å; D74-S78 WeakPolarHBondContact OD2-CB 3.36Å; D74-S79 VanDerWaalsContact OD2-CB 3.26Å; D74-S79 WeakPolarHBondContact OD2-CB 3.39Å; D74-S79 PolarHBondContact OD2-OG 3.22Å
75Y86.6Confident88.6Confident0 Ų037.2 Ų37.20%023%0.232CC..THydrogen-bonded Turntrans-84.6137.5169171-96000110.3D4 Q8 E11 L71 P72 S79 P81 W106 V113 V114D4-Y75 VanDerWaalsContact CB-O 3.29Å; D4-Y75 WeakPolarHBondContact CB-O 3.28Å; Q8-Y75 HydrophobicContact CG-CD1 3.8Å; Q8-Y75 HydrophobicContact CG-CE1 4.42Å; Q8-Y75 PolarHBondContact NE2-O 3.07Å; E11-Y75 PolarHBondContact OE1-OH 3.05Å; E11-Y75 WeakPolarHBondContact OE2-CE1 3.39Å; E11-Y75 PolarHBondContact OE2-OH 2.75Å; L71-Y75 HydrophobicContact CB-CD1 4.41Å; L71-Y75 HydrophobicContact CD1-CD1 4.49Å; L71-Y75 HydrophobicContact CD2-CD1 3.85Å; L71-Y75 HydrophobicContact CD2-CE1 3.83Å; L71-Y75 HydrophobicContact CD2-CG 4.48Å; L71-Y75 HydrophobicContact CG-CD1 4.48Å; P72-Y75 PolarHBondContact O-N 3.12Å; Y75-S79 WeakPolarHBondContact CB-O 3.41Å; Y75-S79 VanDerWaalsContact CD2-O 3.24Å; Y75-S79 WeakPolarHBondContact CD2-O 3.34Å; Y75-P81 HydrophobicContact CD2-CG 3.89Å; Y75-P81 HydrophobicContact CE1-CG 4.43Å; Y75-P81 VanDerWaalsContact CE2-CD 3.43Å; Y75-P81 HydrophobicContact CE2-CG 3.5Å; Y75-P81 VanDerWaalsContact CE2-CG 3.5Å; Y75-W106 AromaticContact CD2-CH2 3.99Å; Y75-W106 HydrophobicContact CD2-CH2 3.99Å; Y75-W106 AromaticContact CD2-CZ3 3.9Å; Y75-W106 HydrophobicContact CD2-CZ3 3.9Å; Y75-W106 HydrophobicContact CE2-CE3 4.23Å; Y75-W106 HydrophobicContact CE2-CH2 4.12Å; Y75-W106 AromaticContact CE2-CZ3 3.55Å; Y75-W106 HydrophobicContact CE2-CZ3 3.55Å; Y75-V113 WeakPolarHBondContact OH-CA 3.18Å; Y75-V114 HydrophobicContact CE2-CG2 3.98Å; Y75-V114 WeakPolarHBondContact OH-CG2 3.22Å; Y75-V114 PolarHBondContact OH-N 2.93Å
76P85.8Confident88.5Confident7 Ų738 Ų385%0.04524%0.238CC..THydrogen-bonded Turncis-93.85.76.235.7-35.9000115.7D4 A7 W106 G111 C112 V113D4-P76 WeakPolarHBondContact OD1-CD 3.41Å; A7-P76 HydrophobicContact CB-CG 4.23Å; P76-W106 HydrophobicContact CB-CZ3 4.42Å; P76-W106 VanDerWaalsContact O-CH2 3.23Å; P76-W106 WeakPolarHBondContact O-CH2 3.47Å; P76-G111 WeakPolarHBondContact O-CA 3.19Å; P76-G111 PolarHBondContact O-N 3.36Å; P76-C112 VanDerWaalsContact CB-C 3.44Å; P76-C112 VanDerWaalsContact CB-O 3.25Å; P76-C112 WeakPolarHBondContact CB-O 3.42Å; P76-V113 HydrophobicContact CB-CG1 4.46Å; P76-V113 HydrophobicContact CG-CG1 4.08Å
77S86.1Confident88.3Confident69 Ų6937.1 Ų37.148%0.48323%0.232SC..THydrogen-bonded Turntrans-70.5-35.4-173.7-68.20000115.1D4 D74D4-S77 WeakPolarHBondContact OD1-CB 3.47Å; D4-S77 PolarHBondContact OD1-N 3.3Å; D4-S77 VanDerWaalsContact OD1-N 3.12Å; D4-S77 PolarHBondContact OD1-OG 3.03Å; D4-S77 PolarHBondContact OD2-OG 3.01Å; D74-S77 PolarHBondContact O-N 3.27Å
78S84.5Confident87.8Confident90 Ų9041 Ų4163%0.62925%0.249SC*.THydrogen-bonded Turntrans-129.3-50.5-169.8-64.60000114.3D74D74-S78 PolarHBondContact O-N 2.78Å; D74-S78 WeakPolarHBondContact OD2-CB 3.36Å
79S87.3Confident87.3Confident47 Ų4739 Ų3933%0.32924%0.238SC..  trans-109.4149.8-174.7-640000111.5D74 Y75 W106D74-S79 VanDerWaalsContact OD2-CB 3.26Å; D74-S79 WeakPolarHBondContact OD2-CB 3.39Å; D74-S79 PolarHBondContact OD2-OG 3.22Å; Y75-S79 WeakPolarHBondContact CB-O 3.41Å; Y75-S79 VanDerWaalsContact CD2-O 3.24Å; Y75-S79 WeakPolarHBondContact CD2-O 3.34Å; S79-W106 VanDerWaalsContact C-CZ2 3.49Å; S79-W106 WeakPolarHBondContact O-CH2 3.33Å; S79-W106 WeakPolarHBondContact O-CZ2 3.47Å
80S90.3Very high86.8Confident36 Ų3639.1 Ų39.125%0.25224%0.239SC..PPolyproline II helixtrans-78.5163.4172.761.70000112.2P72 V82P72-S80 WeakPolarHBondContact CG-O 3.45Å; S80-V82 PolarHBondContact O-N 3.36Å
81P89.6Confident86.3Confident1 Ų135.7 Ų35.71%0.00623%0.228CC..PPolyproline II helixtrans-58.5136.5169.1-23.836.5000111.1L71 Y75 V114 L115 W118L71-P81 HydrophobicContact CD2-CB 3.87Å; L71-P81 HydrophobicContact CD2-CG 3.91Å; Y75-P81 HydrophobicContact CD2-CG 3.89Å; Y75-P81 HydrophobicContact CE1-CG 4.43Å; Y75-P81 VanDerWaalsContact CE2-CD 3.43Å; Y75-P81 HydrophobicContact CE2-CG 3.5Å; Y75-P81 VanDerWaalsContact CE2-CG 3.5Å; P81-V114 HydrophobicContact CG-CG2 4.13Å; P81-L115 HydrophobicContact CB-CD2 4.35Å; P81-L115 HydrophobicContact CG-CD2 4.15Å; P81-W118 HydrophobicContact CB-CH2 3.91Å; P81-W118 HydrophobicContact CB-CZ3 3.89Å; P81-W118 HydrophobicContact CG-CH2 3.97Å; P81-W118 HydrophobicContact CG-CZ3 4.12Å
82V89.4Confident85.6Confident90 Ų9039.8 Ų39.855%0.54524%0.243SC..EExtended strand (participates in β ladder)trans-78.7123.6169.7178.50000107.2F69 E70 P72 S80F69-V82 CarbonylContact C-O 3.45Å; F69-V82 WeakPolarHBondContact CA-O 3.45Å; E70-V82 HydrophobicContact CB-CB 4.49Å; E70-V82 PolarHBondContact N-O 3.3Å; E70-V82 PolarHBondContact O-N 3.23Å; P72-V82 HydrophobicContact CG-CG2 4.23Å; S80-V82 PolarHBondContact O-N 3.36Å
83Y91.6Very high85Confident5 Ų542.8 Ų42.82%0.0226%0.257CS..EExtended strand (participates in β ladder)trans-138.1159.3-176.672.1-87.3000113.9L67 N68 L85 C99 L102 D103 W118 R177L67-Y83 HydrophobicContact CD1-CD2 3.63Å; L67-Y83 HydrophobicContact CD1-CG 3.98Å; N68-Y83 CarbonylContact O-C 3.59Å; N68-Y83 WeakPolarHBondContact O-CA 3.27Å; N68-Y83 WeakPolarHBondContact O-CB 3.4Å; Y83-L85 HydrophobicContact CE2-CD1 4.49Å; Y83-C99 HydrophobicContact CE2-CB 4.28Å; Y83-C99 VanDerWaalsContact OH-CA 3.26Å; Y83-C99 WeakPolarHBondContact OH-CA 3.42Å; Y83-C99 WeakPolarHBondContact OH-CB 3.38Å; Y83-C99 PolarHBondContact OH-O 3.23Å; Y83-L102 HydrophobicContact CD2-CD1 4.34Å; Y83-L102 HydrophobicContact CE2-CD1 3.78Å; Y83-D103 WeakPolarHBondContact CE1-OD1 3.5Å; Y83-D103 PolarHBondContact OH-OD1 3.27Å; Y83-W118 AromaticContact CD1-CH2 3.39Å; Y83-W118 HydrophobicContact CD1-CH2 3.39Å; Y83-W118 HydrophobicContact CD1-CZ2 4.39Å; Y83-W118 AromaticContact CD1-CZ3 3.59Å; Y83-W118 HydrophobicContact CD1-CZ3 3.59Å; Y83-W118 AromaticContact CE1-CH2 3.64Å; Y83-W118 HydrophobicContact CE1-CH2 3.64Å; Y83-W118 HydrophobicContact CE1-CZ2 4.22Å; Y83-W118 HydrophobicContact CE1-CZ3 4.16Å; Y83-W118 HydrophobicContact CG-CH2 4.24Å; Y83-W118 AromaticContact CG-CZ3 3.98Å; Y83-W118 HydrophobicContact CG-CZ3 3.98Å; Y83-R177 VanDerWaalsContact CE1-NH1 3.27Å; Y83-R177 WeakPolarHBondContact O-CD 3.12Å; Y83-R177 WeakPolarHBondContact O-CG 3.26Å; Y83-R177 PolarHBondContact OH-NH1 2.91Å
84T88.3Confident84.8Confident54 Ų5441.3 Ų41.333%0.33124%0.237SC..EExtended strand (participates in β ladder)trans-130.4139.9167.658.20000109.8N68N68-T84 WeakPolarHBondContact CB-OG1 3.43Å; N68-T84 PolarHBondContact N-O 3.27Å; N68-T84 PolarHBondContact O-N 2.93Å
85L87.9Confident84.7Confident0 Ų038.6 Ų38.60%022%0.222CC..EExtended strand (participates in β ladder)trans-109.7133.4-179.9-142.5100.9000108.6L65 L67 Y83 M95 L98 L102 L122 R177 V179L65-L85 HydrophobicContact CD1-CD2 3.72Å; L65-L85 HydrophobicContact CD1-CG 4.04Å; L65-L85 HydrophobicContact CD2-CD2 4.15Å; L65-L85 HydrophobicContact CG-CD2 4.37Å; L65-L85 HydrophobicContact CG-CG 4.45Å; L67-L85 HydrophobicContact CD1-CD1 3.75Å; Y83-L85 HydrophobicContact CE2-CD1 4.49Å; L85-M95 HydrophobicContact CB-CE 4.37Å; L85-M95 WeakPolarHBondContact O-CE 3.5Å; L85-L98 HydrophobicContact CD2-CB 4.04Å; L85-L98 HydrophobicContact CD2-CD1 3.77Å; L85-L102 HydrophobicContact CD1-CD1 3.66Å; L85-L122 HydrophobicContact CD1-CD1 4.43Å; L85-R177 PolarHBondContact N-O 2.94Å; L85-V179 PolarHBondContact O-N 3.34Å
86S85.3Confident84.5Confident17 Ų1739 Ų3912%0.11923%0.225CC..EExtended strand (participates in β ladder)trans-138.9132-179.791.40000112L65 V66 V179 V181L65-S86 WeakPolarHBondContact CD1-O 2.97Å; V66-S86 WeakPolarHBondContact CB-OG 3.46Å; V66-S86 PolarHBondContact N-O 3.17Å; V66-S86 PolarHBondContact O-N 2.94Å; S86-V179 WeakPolarHBondContact CA-O 3.18Å; S86-V181 VanDerWaalsContact CB-CG2 3.41Å; S86-V181 WeakPolarHBondContact OG-CG2 3.48Å
87S85.1Confident84.5Confident3 Ų341.1 Ų41.12%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-141.1153.2179.6-179.70000110.2W89 L90S87-W89 PolarHBondContact OG-N 2.73Å; S87-L90 PolarHBondContact OG-N 2.9Å
88K79.7Confident84.6Confident80 Ų8037.9 Ų37.935%0.34822%0.217SC..SBendtrans-95.1-13.9173.8-64.7-170.2175.6-167.40113.8P63 V182 I188 Q191P63-K88 HydrophobicContact CB-CD 4.37Å; K88-V182 HydrophobicContact CB-CG2 4.15Å; K88-V182 HydrophobicContact CG-CG2 4.02Å; K88-I188 WeakPolarHBondContact O-CD1 3.39Å; K88-Q191 VanDerWaalsContact NZ-OE1 3.11Å
89W81Confident84.7Confident15 Ų1533.6 Ų33.66%0.05719%0.187CC..SBendtrans-129.1-12-168.455.2-94.1000113.9L39 L62 P63 S87 F127 L136 L192L39-W89 HydrophobicContact CD1-CH2 3.38Å; L39-W89 HydrophobicContact CD1-CZ2 3.41Å; L39-W89 VanDerWaalsContact CD1-CZ2 3.41Å; L39-W89 HydrophobicContact CG-CZ2 4.25Å; L62-W89 HydrophobicContact CD1-CD2 3.78Å; L62-W89 HydrophobicContact CD1-CE3 3.86Å; L62-W89 HydrophobicContact CD1-CG 4.22Å; L62-W89 HydrophobicContact CD1-CH2 4.5Å; L62-W89 HydrophobicContact CD1-CZ2 4.41Å; L62-W89 HydrophobicContact CD1-CZ3 4.2Å; L62-W89 HydrophobicContact CD2-CG 4.4Å; P63-W89 PolarHBondContact O-NE1 2.67Å; S87-W89 PolarHBondContact OG-N 2.73Å; W89-F127 AromaticContact CH2-CE1 3.88Å; W89-F127 HydrophobicContact CH2-CE1 3.88Å; W89-F127 AromaticContact CH2-CZ 3.89Å; W89-F127 HydrophobicContact CH2-CZ 3.89Å; W89-F127 AromaticContact CZ3-CE1 3.88Å; W89-F127 HydrophobicContact CZ3-CE1 3.88Å; W89-F127 HydrophobicContact CZ3-CZ 4.24Å; W89-L136 HydrophobicContact CB-CD2 4.46Å; W89-L136 HydrophobicContact CE3-CD2 4.31Å; W89-L192 HydrophobicContact CB-CD1 4.46Å; W89-L192 HydrophobicContact CB-CD2 4.06Å
90L80.3Confident84.7Confident9 Ų937 Ų375%0.04720%0.196CC..SBendtrans-88.1145.9171.6-70.6173.2000111.8L65 S87 Q94 M95 L98 L130 V132L65-L90 HydrophobicContact CD1-CD1 4.15Å; S87-L90 PolarHBondContact OG-N 2.9Å; L90-Q94 HydrophobicContact CB-CB 4.48Å; L90-Q94 HydrophobicContact CD2-CB 4.2Å; L90-M95 HydrophobicContact CB-CG 3.79Å; L90-M95 HydrophobicContact CB-SD 4.42Å; L90-M95 HydrophobicContact CD1-CG 4.36Å; L90-L98 HydrophobicContact CD1-CD1 3.87Å; L90-L130 HydrophobicContact CD1-CD1 4.23Å; L90-L130 HydrophobicContact CD2-CD1 3.75Å; L90-V132 HydrophobicContact CD2-CG2 4.49Å
91S79.1Confident84.7Confident51 Ų5139.4 Ų39.436%0.35720%0.199SC..  trans-73.716017182.50000111.6D93 Q94 M95S91-D93 PolarHBondContact O-N 2.82Å; S91-Q94 PolarHBondContact O-N 2.86Å; S91-Q94 WeakPolarHBondContact OG-CG 3.26Å; S91-Q94 PolarHBondContact OG-N 3.17Å; S91-Q94 PolarHBondContact OG-OE1 3.26Å; S91-M95 WeakPolarHBondContact O-CG 3.38Å; S91-M95 PolarHBondContact O-N 2.89Å
92R75.2Confident84.7Confident98 Ų9839.3 Ų39.337%0.3720%0.199SC..Hα-helixtrans-64-30.2178.8-159.2171.7172.2173-0.1112.9T96 L174 A178 L180R92-T96 WeakPolarHBondContact O-CB 3.44Å; R92-T96 PolarHBondContact O-N 2.96Å; R92-T96 PolarHBondContact O-OG1 2.96Å; R92-L174 HydrophobicContact CB-CD2 4.26Å; R92-L174 HydrophobicContact CG-CD2 4Å; R92-A178 HydrophobicContact CG-CB 4.33Å; R92-L180 HydrophobicContact CB-CD1 4.12Å; R92-L180 HydrophobicContact CB-CD2 4.4Å; R92-L180 HydrophobicContact CB-CG 4.33Å; R92-L180 HydrophobicContact CG-CD1 4.44Å; R92-L180 HydrophobicContact CG-CG 4.45Å
93D77.2Confident84.7Confident91 Ų9136.9 Ų36.949%0.48718%0.183SC..Hα-helixtrans-70.2-41.3175.9-62-45.5000111.8S91 T96 S97 L174S91-D93 PolarHBondContact O-N 2.82Å; D93-T96 PolarHBondContact O-N 3.32Å; D93-S97 PolarHBondContact O-N 2.94Å; D93-S97 PolarHBondContact O-OG 3.49Å; D93-L174 VanDerWaalsContact OD1-CD2 3.29Å; D93-L174 WeakPolarHBondContact OD1-CD2 3.32Å
94Q83.9Confident84.5Confident48 Ų4837.5 Ų37.522%0.22419%0.191CC..Hα-helixtrans-64.4-46.1174.7-72.7171.4-32.400110.7L90 S91 T96 S97 L98 L130L90-Q94 HydrophobicContact CB-CB 4.48Å; L90-Q94 HydrophobicContact CD2-CB 4.2Å; S91-Q94 PolarHBondContact O-N 2.86Å; S91-Q94 WeakPolarHBondContact OG-CG 3.26Å; S91-Q94 PolarHBondContact OG-N 3.17Å; S91-Q94 PolarHBondContact OG-OE1 3.26Å; Q94-T96 VanDerWaalsContact C-N 3.32Å; Q94-T96 PolarHBondContact O-N 2.97Å; Q94-S97 WeakPolarHBondContact O-CB 3.5Å; Q94-S97 PolarHBondContact O-N 3.25Å; Q94-S97 VanDerWaalsContact O-N 3.15Å; Q94-L98 PolarHBondContact O-N 3.5Å; Q94-L130 HydrophobicContact CB-CD1 4.27Å; Q94-L130 HydrophobicContact CB-CD2 3.96Å; Q94-L130 HydrophobicContact CG-CD2 4.3Å; Q94-L130 WeakPolarHBondContact O-CD2 3.48Å
95M83.9Confident84.6Confident0 Ų035.6 Ų35.60%018%0.179CC..Hα-helixtrans-62.4-39.1176.1-67.5175.367.100112.4L85 L90 S91 S97 L98 C99 A178 V179 L180L85-M95 HydrophobicContact CB-CE 4.37Å; L85-M95 WeakPolarHBondContact O-CE 3.5Å; L90-M95 HydrophobicContact CB-CG 3.79Å; L90-M95 HydrophobicContact CB-SD 4.42Å; L90-M95 HydrophobicContact CD1-CG 4.36Å; S91-M95 WeakPolarHBondContact O-CG 3.38Å; S91-M95 PolarHBondContact O-N 2.89Å; M95-S97 VanDerWaalsContact C-N 3.32Å; M95-S97 PolarHBondContact O-N 2.97Å; M95-L98 PolarHBondContact O-N 3.05Å; M95-C99 PolarHBondContact O-N 3.11Å; M95-C99 PolarHBondContact O-SG 3.33Å; M95-A178 HydrophobicContact CB-CB 3.74Å; M95-A178 HydrophobicContact CE-CB 4.23Å; M95-V179 WeakPolarHBondContact CE-O 3.04Å; M95-L180 HydrophobicContact SD-CD2 4.01Å
96T83.9Confident84.7Confident8 Ų836.5 Ų36.55%0.04918%0.182CC..Hα-helixtrans-62.8-40.3174.3-63.20000111.2R92 D93 Q94 C99 K100 D175R92-T96 WeakPolarHBondContact O-CB 3.44Å; R92-T96 PolarHBondContact O-N 2.96Å; R92-T96 PolarHBondContact O-OG1 2.96Å; D93-T96 PolarHBondContact O-N 3.32Å; Q94-T96 VanDerWaalsContact C-N 3.32Å; Q94-T96 PolarHBondContact O-N 2.97Å; T96-C99 PolarHBondContact O-N 2.83Å; T96-K100 HydrophobicContact CG2-CD 4.48Å; T96-K100 WeakPolarHBondContact O-CG 3.37Å; T96-K100 PolarHBondContact O-N 2.83Å; T96-D175 HydrophobicContact CG2-CB 3.96Å; T96-D175 PolarHBondContact OG1-N 3.37Å
97S85.1Confident84.9Confident51 Ų5142 Ų4236%0.35721%0.206SC..Hα-helixtrans-64.3-39.4175.3-58.70000112.1D93 Q94 M95 R101D93-S97 PolarHBondContact O-N 2.94Å; D93-S97 PolarHBondContact O-OG 3.49Å; Q94-S97 WeakPolarHBondContact O-CB 3.5Å; Q94-S97 PolarHBondContact O-N 3.25Å; Q94-S97 VanDerWaalsContact O-N 3.15Å; M95-S97 VanDerWaalsContact C-N 3.32Å; M95-S97 PolarHBondContact O-N 2.97Å; S97-R101 PolarHBondContact O-N 3.34Å; S97-R101 VanDerWaalsContact O-N 3.1Å
98L88.1Confident85.1Confident1 Ų148.4 Ų48.41%0.00524%0.236CC..Hα-helixtrans-62.3-46.7172.6-69.3-178.9000111.6L65 L85 L90 Q94 M95 K100 R101 L102 F121 L122 A126 F129 L130L65-L98 HydrophobicContact CD2-CD1 4.16Å; L85-L98 HydrophobicContact CD2-CB 4.04Å; L85-L98 HydrophobicContact CD2-CD1 3.77Å; L90-L98 HydrophobicContact CD1-CD1 3.87Å; Q94-L98 PolarHBondContact O-N 3.5Å; M95-L98 PolarHBondContact O-N 3.05Å; L98-K100 VanDerWaalsContact C-N 3.34Å; L98-K100 PolarHBondContact O-N 3.26Å; L98-R101 PolarHBondContact O-N 3.16Å; L98-L102 WeakPolarHBondContact O-CG 3.39Å; L98-L102 PolarHBondContact O-N 2.89Å; L98-F121 HydrophobicContact CD2-CE1 3.96Å; L98-F121 HydrophobicContact CD2-CZ 4.23Å; L98-L122 HydrophobicContact CD1-CD2 4.16Å; L98-L122 HydrophobicContact CD2-CD2 4.22Å; L98-A126 HydrophobicContact CD2-CB 4.12Å; L98-F129 HydrophobicContact CD2-CD1 4.07Å; L98-F129 HydrophobicContact CD2-CE1 4.49Å; L98-L130 HydrophobicContact CD1-CD1 3.92Å; L98-L130 HydrophobicContact CD2-CD1 3.88Å; L98-L130 HydrophobicContact CD2-CD2 4.02Å; L98-L130 HydrophobicContact CD2-CG 3.88Å; L98-L130 HydrophobicContact CG-CD1 3.9Å; L98-L130 HydrophobicContact CG-CD2 4.04Å; L98-L130 HydrophobicContact CG-CG 4.23Å
99C87.3Confident85.4Confident0 Ų047.3 Ų47.30%023%0.234CC..Hα-helixtrans-57.7-47.2178.8-62.30000111.3Y83 M95 T96 R101 L102 D103Y83-C99 HydrophobicContact CE2-CB 4.28Å; Y83-C99 VanDerWaalsContact OH-CA 3.26Å; Y83-C99 WeakPolarHBondContact OH-CA 3.42Å; Y83-C99 WeakPolarHBondContact OH-CB 3.38Å; Y83-C99 PolarHBondContact OH-O 3.23Å; M95-C99 PolarHBondContact O-N 3.11Å; M95-C99 PolarHBondContact O-SG 3.33Å; T96-C99 PolarHBondContact O-N 2.83Å; C99-R101 VanDerWaalsContact C-N 3.25Å; C99-R101 PolarHBondContact O-N 3Å; C99-L102 PolarHBondContact O-N 3.43Å; C99-L102 VanDerWaalsContact O-N 3.17Å; C99-D103 VanDerWaalsContact O-CG 3.25Å; C99-D103 PolarHBondContact O-N 3.44Å
100K87.5Confident85.5Confident120 Ų12052.9 Ų52.952%0.52226%0.26SS..Hα-helixtrans-58.7-36.8175.9-71.8176.7-179.8176.30112.9T96 L98 G104T96-K100 HydrophobicContact CG2-CD 4.48Å; T96-K100 WeakPolarHBondContact O-CG 3.37Å; T96-K100 PolarHBondContact O-N 2.83Å; L98-K100 VanDerWaalsContact C-N 3.34Å; L98-K100 PolarHBondContact O-N 3.26Å; K100-G104 PolarHBondContact O-N 2.9Å; K100-G104 VanDerWaalsContact O-N 3.09Å
101R90.1Very high85.6Confident85 Ų8554.5 Ų54.532%0.32128%0.279SS..Hα-helixtrans-72.3-39.4177.5-178.254.9174.8-154.7-0.1112.1S97 L98 C99 D103 G104 L105 F121 F129S97-R101 PolarHBondContact O-N 3.34Å; S97-R101 VanDerWaalsContact O-N 3.1Å; L98-R101 PolarHBondContact O-N 3.16Å; C99-R101 VanDerWaalsContact C-N 3.25Å; C99-R101 PolarHBondContact O-N 3Å; R101-D103 VanDerWaalsContact C-N 3.31Å; R101-D103 PolarHBondContact O-N 2.9Å; R101-G104 PolarHBondContact O-N 3.36Å; R101-L105 WeakPolarHBondContact O-CG 3.43Å; R101-L105 PolarHBondContact O-N 2.89Å; R101-F121 HydrophobicContact CB-CE1 4.2Å; R101-F121 HydrophobicContact CB-CZ 4.12Å; R101-F121 HydrophobicContact CG-CD1 4.36Å; R101-F121 HydrophobicContact CG-CD2 4.46Å; R101-F121 HydrophobicContact CG-CE1 3.62Å; R101-F121 HydrophobicContact CG-CE2 3.75Å; R101-F121 HydrophobicContact CG-CZ 3.29Å; R101-F129 HydrophobicContact CB-CE1 3.93Å; R101-F129 HydrophobicContact CB-CE2 4.39Å; R101-F129 HydrophobicContact CB-CZ 3.77Å; R101-F129 HydrophobicContact CG-CE1 4.3Å; R101-F129 HydrophobicContact CG-CE2 4.17Å; R101-F129 HydrophobicContact CG-CZ 4.04Å
102L89.4Confident86Confident0 Ų055.5 Ų55.50%029%0.285CS..Hα-helixtrans-61.8-40.7173.7-66.2178000111.6L67 Y83 L85 L98 C99 L105 W106 W118 F121 L122L67-L102 HydrophobicContact CD1-CD1 4.47Å; Y83-L102 HydrophobicContact CD2-CD1 4.34Å; Y83-L102 HydrophobicContact CE2-CD1 3.78Å; L85-L102 HydrophobicContact CD1-CD1 3.66Å; L98-L102 WeakPolarHBondContact O-CG 3.39Å; L98-L102 PolarHBondContact O-N 2.89Å; C99-L102 PolarHBondContact O-N 3.43Å; C99-L102 VanDerWaalsContact O-N 3.17Å; L102-L105 HydrophobicContact CD2-CD1 4.47Å; L102-L105 PolarHBondContact O-N 3.25Å; L102-W106 PolarHBondContact O-N 3.48Å; L102-W118 HydrophobicContact CB-CD2 4.38Å; L102-W118 HydrophobicContact CB-CZ2 4.35Å; L102-W118 HydrophobicContact CD2-CB 3.83Å; L102-W118 HydrophobicContact CD2-CD2 4.12Å; L102-W118 HydrophobicContact CD2-CG 3.63Å; L102-W118 PolarHBondContact O-NE1 3.28Å; L102-F121 HydrophobicContact CD2-CD1 4.02Å; L102-L122 HydrophobicContact CD1-CD1 4.3Å; L102-L122 HydrophobicContact CD2-CD1 4.17Å; L102-L122 HydrophobicContact CD2-CD2 4.27Å; L102-L122 HydrophobicContact CD2-CG 4.09Å
103D88.6Confident86.7Confident38 Ų3853.8 Ų53.820%0.20329%0.285CS..Hα-helixtrans-63.2-42.5174.8-61.6-21000111.4Y83 C99 R101 L105 W106 E107 R177Y83-D103 WeakPolarHBondContact CE1-OD1 3.5Å; Y83-D103 PolarHBondContact OH-OD1 3.27Å; C99-D103 VanDerWaalsContact O-CG 3.25Å; C99-D103 PolarHBondContact O-N 3.44Å; R101-D103 VanDerWaalsContact C-N 3.31Å; R101-D103 PolarHBondContact O-N 2.9Å; D103-L105 PolarHBondContact O-N 2.92Å; D103-W106 WeakPolarHBondContact O-CB 3.48Å; D103-W106 PolarHBondContact O-N 2.91Å; D103-W106 VanDerWaalsContact O-N 3.16Å; D103-E107 WeakPolarHBondContact O-CG 3.43Å; D103-E107 PolarHBondContact O-N 3.01Å; D103-R177 IonicContact OD1-CZ 3.46Å; D103-R177 IonicContact OD1-NH1 3.37Å; D103-R177 PolarHBondContact OD1-NH1 3.47Å; D103-R177 IonicContact OD1-NH2 3.68Å; D103-R177 IonicContact OD2-CZ 3.86Å; D103-R177 IonicContact OD2-NH1 3.58Å; D103-R177 PolarHBondContact OD2-NH1 3.49Å; D103-R177 IonicContact OD2-NH2 2.75Å; D103-R177 PolarHBondContact OD2-NH2 2.89Å
104G88.8Confident87.4Confident19 Ų1949.5 Ų49.520%0.19626%0.262CS..Hα-helixtrans-61.2-42.1174.400000113K100 R101 W106 E107 E108K100-G104 PolarHBondContact O-N 2.9Å; K100-G104 VanDerWaalsContact O-N 3.09Å; R101-G104 PolarHBondContact O-N 3.36Å; G104-W106 PolarHBondContact O-N 3.45Å; G104-E107 PolarHBondContact O-N 3.23Å; G104-E107 VanDerWaalsContact O-N 3.11Å; G104-E108 WeakPolarHBondContact O-CG 3.22Å; G104-E108 PolarHBondContact O-N 3.13Å
105L89.6Confident87.7Confident14 Ų1447.2 Ų47.27%0.07325%0.252CS..Hα-helixtrans-62.7-32.1174.9-71.3173.2000112.3R101 L102 D103 N109 T117 F121R101-L105 WeakPolarHBondContact O-CG 3.43Å; R101-L105 PolarHBondContact O-N 2.89Å; L102-L105 HydrophobicContact CD2-CD1 4.47Å; L102-L105 PolarHBondContact O-N 3.25Å; D103-L105 PolarHBondContact O-N 2.92Å; L105-N109 WeakPolarHBondContact O-CB 3.43Å; L105-N109 PolarHBondContact O-N 3.38Å; L105-N109 PolarHBondContact O-OD1 2.9Å; L105-T117 HydrophobicContact CD2-CG2 4.46Å; L105-F121 HydrophobicContact CD1-CB 3.68Å; L105-F121 HydrophobicContact CD1-CD1 3.96Å; L105-F121 HydrophobicContact CD1-CD2 4.31Å; L105-F121 HydrophobicContact CD1-CG 3.7Å
106W89.3Confident88Confident19 Ų1951.6 Ų51.67%0.07227%0.271CS..Hα-helixtrans-68.7-45.8170.7161.3-103.2000111.9Y75 P76 S79 L102 D103 G104 E108 N109 Q110 V114 W118Y75-W106 AromaticContact CD2-CH2 3.99Å; Y75-W106 HydrophobicContact CD2-CH2 3.99Å; Y75-W106 AromaticContact CD2-CZ3 3.9Å; Y75-W106 HydrophobicContact CD2-CZ3 3.9Å; Y75-W106 HydrophobicContact CE2-CE3 4.23Å; Y75-W106 HydrophobicContact CE2-CH2 4.12Å; Y75-W106 AromaticContact CE2-CZ3 3.55Å; Y75-W106 HydrophobicContact CE2-CZ3 3.55Å; P76-W106 HydrophobicContact CB-CZ3 4.42Å; P76-W106 VanDerWaalsContact O-CH2 3.23Å; P76-W106 WeakPolarHBondContact O-CH2 3.47Å; S79-W106 VanDerWaalsContact C-CZ2 3.49Å; S79-W106 WeakPolarHBondContact O-CH2 3.33Å; S79-W106 WeakPolarHBondContact O-CZ2 3.47Å; L102-W106 PolarHBondContact O-N 3.48Å; D103-W106 WeakPolarHBondContact O-CB 3.48Å; D103-W106 PolarHBondContact O-N 2.91Å; D103-W106 VanDerWaalsContact O-N 3.16Å; G104-W106 PolarHBondContact O-N 3.45Å; W106-E108 VanDerWaalsContact C-N 3.25Å; W106-E108 PolarHBondContact O-N 2.82Å; W106-N109 CarbonylContact O-C 3.53Å; W106-N109 VanDerWaalsContact O-C 3.3Å; W106-N109 PolarHBondContact O-N 2.84Å; W106-Q110 HydrophobicContact CZ2-CG 4.46Å; W106-Q110 PolarHBondContact O-N 3.07Å; W106-V114 HydrophobicContact CE3-CB 4.37Å; W106-V114 HydrophobicContact CE3-CG1 3.68Å; W106-V114 HydrophobicContact CE3-CG2 3.76Å; W106-V114 HydrophobicContact CZ3-CG1 4.19Å; W106-V114 HydrophobicContact CZ3-CG2 4.32Å; W106-W118 HydrophobicContact CB-CZ2 4.26Å
107E89.3Confident88.2Confident133 Ų13353 Ų5362%0.62128%0.28SS*.Hα-helixtrans-60-36179.3-71.9179.7176.700112.6D103 G104 N109D103-E107 WeakPolarHBondContact O-CG 3.43Å; D103-E107 PolarHBondContact O-N 3.01Å; G104-E107 PolarHBondContact O-N 3.23Å; G104-E107 VanDerWaalsContact O-N 3.11Å; E107-N109 VanDerWaalsContact C-N 3.26Å; E107-N109 PolarHBondContact O-N 2.89Å
108E89.5Confident88.5Confident137 Ų13750.6 Ų50.664%0.6426%0.263SS*.Hα-helixtrans-68.3-24.9175-70.5172.3-163.900113G104 W106G104-E108 WeakPolarHBondContact O-CG 3.22Å; G104-E108 PolarHBondContact O-N 3.13Å; W106-E108 VanDerWaalsContact C-N 3.25Å; W106-E108 PolarHBondContact O-N 2.82Å
109N86.9Confident88.5Confident57 Ų5750.6 Ų50.631%0.30526%0.263SS..THydrogen-bonded Turntrans-120.526.2-172.1-71.272.4000113.4L105 W106 E107 G111 C112 V114L105-N109 WeakPolarHBondContact O-CB 3.43Å; L105-N109 PolarHBondContact O-N 3.38Å; L105-N109 PolarHBondContact O-OD1 2.9Å; W106-N109 CarbonylContact O-C 3.53Å; W106-N109 VanDerWaalsContact O-C 3.3Å; W106-N109 PolarHBondContact O-N 2.84Å; E107-N109 VanDerWaalsContact C-N 3.26Å; E107-N109 PolarHBondContact O-N 2.89Å; N109-G111 PolarHBondContact O-N 3.19Å; N109-C112 WeakPolarHBondContact O-CB 3.4Å; N109-C112 PolarHBondContact O-N 3.22Å; N109-V114 HydrophobicContact CB-CG1 3.73Å
110Q83.6Confident88.6Confident132 Ų13254.2 Ų54.262%0.61728%0.28SS*.THydrogen-bonded Turntrans-55.1134.4-179.5-73.8-173.8-8.800112.4W106 C112W106-Q110 HydrophobicContact CZ2-CG 4.46Å; W106-Q110 PolarHBondContact O-N 3.07Å; Q110-C112 VanDerWaalsContact C-N 3.34Å
111G81.4Confident88.8Confident42 Ų4248.8 Ų48.843%0.43326%0.256SS..THydrogen-bonded Turntrans87.2-0.9-17600000114.4P76 N109P76-G111 WeakPolarHBondContact O-CA 3.19Å; P76-G111 PolarHBondContact O-N 3.36Å; N109-G111 PolarHBondContact O-N 3.19Å
112C87.6Confident88.6Confident72 Ų7244.8 Ų44.849%0.48624%0.241SC..SBendtrans-121.3159.2176.8-670000111.7P76 N109 Q110P76-C112 VanDerWaalsContact CB-C 3.44Å; P76-C112 VanDerWaalsContact CB-O 3.25Å; P76-C112 WeakPolarHBondContact CB-O 3.42Å; N109-C112 WeakPolarHBondContact O-CB 3.4Å; N109-C112 PolarHBondContact O-N 3.22Å; Q110-C112 VanDerWaalsContact C-N 3.34Å
113V89.6Confident88.4Confident62 Ų6246.9 Ų46.938%0.37625%0.25SS..  trans-66.7143.3170.1-67.40000110.8A7 E11 Y75 P76A7-V113 HydrophobicContact CB-CG1 4.29Å; E11-V113 HydrophobicContact CB-CB 4.24Å; E11-V113 HydrophobicContact CB-CG1 4.03Å; E11-V113 VanDerWaalsContact CD-CB 3.5Å; E11-V113 HydrophobicContact CG-CB 4.15Å; E11-V113 HydrophobicContact CG-CG1 4.46Å; E11-V113 WeakPolarHBondContact OE1-CB 3.26Å; Y75-V113 WeakPolarHBondContact OH-CA 3.18Å; P76-V113 HydrophobicContact CB-CG1 4.46Å; P76-V113 HydrophobicContact CG-CG1 4.08Å
114V91.7Very high88.2Confident1 Ų151.6 Ų51.61%0.00627%0.271CS..  trans-136.9-9.4-166.2-650000115.6E11 Y75 P81 W106 N109 F116 T117 W118E11-V114 PolarHBondContact OE1-N 3.13Å; E11-V114 VanDerWaalsContact OE1-N 3.08Å; Y75-V114 HydrophobicContact CE2-CG2 3.98Å; Y75-V114 WeakPolarHBondContact OH-CG2 3.22Å; Y75-V114 PolarHBondContact OH-N 2.93Å; P81-V114 HydrophobicContact CG-CG2 4.13Å; W106-V114 HydrophobicContact CE3-CB 4.37Å; W106-V114 HydrophobicContact CE3-CG1 3.68Å; W106-V114 HydrophobicContact CE3-CG2 3.76Å; W106-V114 HydrophobicContact CZ3-CG1 4.19Å; W106-V114 HydrophobicContact CZ3-CG2 4.32Å; N109-V114 HydrophobicContact CB-CG1 3.73Å; V114-F116 VanDerWaalsContact C-N 3.3Å; V114-F116 PolarHBondContact O-N 2.79Å; V114-T117 WeakPolarHBondContact O-CB 3.46Å; V114-T117 PolarHBondContact O-N 2.76Å; V114-T117 VanDerWaalsContact O-N 3.13Å; V114-W118 HydrophobicContact CG2-CD2 4.49Å; V114-W118 HydrophobicContact CG2-CZ2 4.23Å; V114-W118 PolarHBondContact O-N 3.3Å
115L90.2Very high88Confident0 Ų055 Ų550%028%0.282CS..Hα-helixtrans-61.5-40.6-178-63.2177000111.3E11 L12 L15 F69 L71 P81 T117 W118 I119E11-L115 HydrophobicContact CG-CB 4.39Å; E11-L115 HydrophobicContact CG-CD1 4.27Å; E11-L115 WeakPolarHBondContact OE1-CA 3.29Å; E11-L115 WeakPolarHBondContact OE1-CB 3.02Å; E11-L115 WeakPolarHBondContact OE1-CG 3.32Å; E11-L115 PolarHBondContact OE1-N 2.88Å; L12-L115 HydrophobicContact CD2-CD1 4.25Å; L15-L115 HydrophobicContact CD1-CB 3.78Å; L15-L115 HydrophobicContact CD1-CD1 3.84Å; F69-L115 HydrophobicContact CD1-CD2 4.43Å; F69-L115 HydrophobicContact CD2-CD1 3.98Å; F69-L115 HydrophobicContact CD2-CD2 3.96Å; F69-L115 HydrophobicContact CE1-CD1 4.39Å; F69-L115 HydrophobicContact CE2-CD1 3.46Å; F69-L115 VanDerWaalsContact CE2-CD1 3.46Å; F69-L115 HydrophobicContact CE2-CD2 4.27Å; F69-L115 HydrophobicContact CG-CD2 4.05Å; F69-L115 HydrophobicContact CZ-CD1 3.69Å; L71-L115 HydrophobicContact CD2-CD1 4.28Å; P81-L115 HydrophobicContact CB-CD2 4.35Å; P81-L115 HydrophobicContact CG-CD2 4.15Å; L115-T117 VanDerWaalsContact C-N 3.34Å; L115-T117 PolarHBondContact O-N 2.8Å; L115-W118 HydrophobicContact CD2-CE3 4.1Å; L115-W118 HydrophobicContact CD2-CZ3 4.33Å; L115-W118 PolarHBondContact O-N 2.92Å; L115-I119 WeakPolarHBondContact O-CG1 3.44Å; L115-I119 PolarHBondContact O-N 3.42Å
116F89.7Confident87.7Confident92 Ų9254.5 Ų54.540%0.40428%0.279SS..Hα-helixtrans-60.8-43.5175.4-178.7-96.8000111.9L15 I18 V114 W118 I119 Q120L15-F116 HydrophobicContact CD2-CB 4.32Å; L15-F116 HydrophobicContact CD2-CD2 4.31Å; I18-F116 HydrophobicContact CD1-CD2 4.2Å; I18-F116 HydrophobicContact CD1-CE2 4.08Å; V114-F116 VanDerWaalsContact C-N 3.3Å; V114-F116 PolarHBondContact O-N 2.79Å; F116-W118 VanDerWaalsContact C-N 3.35Å; F116-W118 PolarHBondContact O-N 3.22Å; F116-I119 PolarHBondContact O-N 2.96Å; F116-Q120 WeakPolarHBondContact O-CB 3.34Å; F116-Q120 PolarHBondContact O-N 2.95Å
117T89.3Confident87.2Confident39 Ų3955.1 Ų55.124%0.23928%0.283CS..Hα-helixtrans-62.9-41.8176.9-53.30000111.5L105 V114 L115 Q120 F121L105-T117 HydrophobicContact CD2-CG2 4.46Å; V114-T117 WeakPolarHBondContact O-CB 3.46Å; V114-T117 PolarHBondContact O-N 2.76Å; V114-T117 VanDerWaalsContact O-N 3.13Å; L115-T117 VanDerWaalsContact C-N 3.34Å; L115-T117 PolarHBondContact O-N 2.8Å; T117-Q120 PolarHBondContact O-N 3.27Å; T117-F121 WeakPolarHBondContact O-CB 3.28Å; T117-F121 PolarHBondContact O-N 3.49Å
118W91.8Very high86.8Confident0 Ų052.9 Ų52.90%029%0.287CS..Hα-helixtrans-61.7-44.9174.1-73.30.3000111.9L67 P81 Y83 L102 W106 V114 L115 F116 F121 L122L67-W118 HydrophobicContact CD2-CE3 4.18Å; P81-W118 HydrophobicContact CB-CH2 3.91Å; P81-W118 HydrophobicContact CB-CZ3 3.89Å; P81-W118 HydrophobicContact CG-CH2 3.97Å; P81-W118 HydrophobicContact CG-CZ3 4.12Å; Y83-W118 AromaticContact CD1-CH2 3.39Å; Y83-W118 HydrophobicContact CD1-CH2 3.39Å; Y83-W118 HydrophobicContact CD1-CZ2 4.39Å; Y83-W118 AromaticContact CD1-CZ3 3.59Å; Y83-W118 HydrophobicContact CD1-CZ3 3.59Å; Y83-W118 AromaticContact CE1-CH2 3.64Å; Y83-W118 HydrophobicContact CE1-CH2 3.64Å; Y83-W118 HydrophobicContact CE1-CZ2 4.22Å; Y83-W118 HydrophobicContact CE1-CZ3 4.16Å; Y83-W118 HydrophobicContact CG-CH2 4.24Å; Y83-W118 AromaticContact CG-CZ3 3.98Å; Y83-W118 HydrophobicContact CG-CZ3 3.98Å; L102-W118 HydrophobicContact CB-CD2 4.38Å; L102-W118 HydrophobicContact CB-CZ2 4.35Å; L102-W118 HydrophobicContact CD2-CB 3.83Å; L102-W118 HydrophobicContact CD2-CD2 4.12Å; L102-W118 HydrophobicContact CD2-CG 3.63Å; L102-W118 PolarHBondContact O-NE1 3.28Å; W106-W118 HydrophobicContact CB-CZ2 4.26Å; V114-W118 HydrophobicContact CG2-CD2 4.49Å; V114-W118 HydrophobicContact CG2-CZ2 4.23Å; V114-W118 PolarHBondContact O-N 3.3Å; L115-W118 HydrophobicContact CD2-CE3 4.1Å; L115-W118 HydrophobicContact CD2-CZ3 4.33Å; L115-W118 PolarHBondContact O-N 2.92Å; F116-W118 VanDerWaalsContact C-N 3.35Å; F116-W118 PolarHBondContact O-N 3.22Å; W118-F121 PolarHBondContact O-N 2.95Å; W118-L122 WeakPolarHBondContact O-CB 3.21Å; W118-L122 WeakPolarHBondContact O-CG 3.46Å; W118-L122 PolarHBondContact O-N 2.95Å
119I88Confident86.3Confident1 Ų150.6 Ų50.61%0.00528%0.275CS..Hα-helixtrans-61.6-46.4177.7-67.2166.5000110.7L15 Y19 I35 L37 L115 F116 L122 K123L15-I119 HydrophobicContact CD1-CD1 4.31Å; L15-I119 HydrophobicContact CD2-CD1 3.6Å; Y19-I119 HydrophobicContact CD2-CD1 4.37Å; Y19-I119 HydrophobicContact CE1-CG2 4.25Å; Y19-I119 HydrophobicContact CE2-CD1 3.81Å; Y19-I119 HydrophobicContact CE2-CG2 4.07Å; Y19-I119 VanDerWaalsContact OH-CG2 3.23Å; Y19-I119 WeakPolarHBondContact OH-CG2 3.44Å; I35-I119 HydrophobicContact CD1-CD1 3.84Å; I35-I119 HydrophobicContact CD1-CG1 3.98Å; I35-I119 HydrophobicContact CG1-CD1 4.25Å; I35-I119 HydrophobicContact CG2-CD1 4.17Å; I35-I119 HydrophobicContact CG2-CG1 4.07Å; L37-I119 HydrophobicContact CD2-CB 4.41Å; L37-I119 HydrophobicContact CD2-CG1 4.38Å; L37-I119 HydrophobicContact CD2-CG2 3.79Å; L115-I119 WeakPolarHBondContact O-CG1 3.44Å; L115-I119 PolarHBondContact O-N 3.42Å; F116-I119 PolarHBondContact O-N 2.96Å; I119-L122 PolarHBondContact O-N 3.15Å; I119-K123 HydrophobicContact CG2-CD 4.07Å; I119-K123 HydrophobicContact CG2-CG 4.28Å; I119-K123 WeakPolarHBondContact O-CB 3.41Å; I119-K123 WeakPolarHBondContact O-CG 3.47Å; I119-K123 PolarHBondContact O-N 3.4Å
120Q89.3Confident85.8Confident76 Ų7649.1 Ų49.136%0.35527%0.267SS..Hα-helixtrans-60.3-50.4179.6-173178.94.600111.3F116 T117 L122 K123 E124F116-Q120 WeakPolarHBondContact O-CB 3.34Å; F116-Q120 PolarHBondContact O-N 2.95Å; T117-Q120 PolarHBondContact O-N 3.27Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.06Å; Q120-K123 PolarHBondContact O-N 3.34Å; Q120-E124 WeakPolarHBondContact CG-OE2 3.41Å; Q120-E124 PolarHBondContact NE2-OE2 3.09Å; Q120-E124 WeakPolarHBondContact O-CB 3.23Å; Q120-E124 PolarHBondContact O-N 3.1Å
121F90.3Very high85.2Confident6 Ų647.6 Ų47.63%0.02626%0.263CS..Iπ-helixtrans-57.8-46.2176.6168.2-102.3000111.4L98 R101 L102 L105 T117 W118 E125 A126 F129L98-F121 HydrophobicContact CD2-CE1 3.96Å; L98-F121 HydrophobicContact CD2-CZ 4.23Å; R101-F121 HydrophobicContact CB-CE1 4.2Å; R101-F121 HydrophobicContact CB-CZ 4.12Å; R101-F121 HydrophobicContact CG-CD1 4.36Å; R101-F121 HydrophobicContact CG-CD2 4.46Å; R101-F121 HydrophobicContact CG-CE1 3.62Å; R101-F121 HydrophobicContact CG-CE2 3.75Å; R101-F121 HydrophobicContact CG-CZ 3.29Å; L102-F121 HydrophobicContact CD2-CD1 4.02Å; L105-F121 HydrophobicContact CD1-CB 3.68Å; L105-F121 HydrophobicContact CD1-CD1 3.96Å; L105-F121 HydrophobicContact CD1-CD2 4.31Å; L105-F121 HydrophobicContact CD1-CG 3.7Å; T117-F121 WeakPolarHBondContact O-CB 3.28Å; T117-F121 PolarHBondContact O-N 3.49Å; W118-F121 PolarHBondContact O-N 2.95Å; F121-E125 HydrophobicContact CD2-CB 3.61Å; F121-E125 HydrophobicContact CD2-CG 4.44Å; F121-E125 HydrophobicContact CE2-CB 3.84Å; F121-E125 CarbonylContact O-C 3.5Å; F121-E125 WeakPolarHBondContact O-CA 3.47Å; F121-E125 WeakPolarHBondContact O-CB 3.44Å; F121-E125 PolarHBondContact O-N 3.21Å; F121-A126 PolarHBondContact O-N 2.93Å; F121-F129 HydrophobicContact CE2-CB 4.13Å; F121-F129 HydrophobicContact CE2-CG 4.23Å; F121-F129 HydrophobicContact CZ-CB 4.03Å; F121-F129 AromaticContact CZ-CD1 3.91Å; F121-F129 HydrophobicContact CZ-CD1 3.91Å; F121-F129 HydrophobicContact CZ-CD2 4.47Å; F121-F129 AromaticContact CZ-CG 3.88Å; F121-F129 HydrophobicContact CZ-CG 3.88Å
122L87.6Confident84.6Confident0 Ų046.5 Ų46.50%025%0.248CC..Iπ-helixtrans-67.5-37.4-177.6-68.9171.7000112.5L37 L39 L65 L67 L85 L98 L102 W118 I119 Q120 A126L37-L122 HydrophobicContact CD1-CB 3.64Å; L37-L122 HydrophobicContact CD1-CD1 3.42Å; L37-L122 VanDerWaalsContact CD1-CD1 3.42Å; L37-L122 HydrophobicContact CD1-CG 4.16Å; L39-L122 WeakPolarHBondContact CD2-O 3.37Å; L65-L122 HydrophobicContact CD2-CD1 4.36Å; L65-L122 HydrophobicContact CD2-CD2 3.89Å; L65-L122 HydrophobicContact CD2-CG 4.49Å; L67-L122 HydrophobicContact CD2-CD1 4.38Å; L85-L122 HydrophobicContact CD1-CD1 4.43Å; L98-L122 HydrophobicContact CD1-CD2 4.16Å; L98-L122 HydrophobicContact CD2-CD2 4.22Å; L102-L122 HydrophobicContact CD1-CD1 4.3Å; L102-L122 HydrophobicContact CD2-CD1 4.17Å; L102-L122 HydrophobicContact CD2-CD2 4.27Å; L102-L122 HydrophobicContact CD2-CG 4.09Å; W118-L122 WeakPolarHBondContact O-CB 3.21Å; W118-L122 WeakPolarHBondContact O-CG 3.46Å; W118-L122 PolarHBondContact O-N 2.95Å; I119-L122 PolarHBondContact O-N 3.15Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.06Å; L122-A126 WeakPolarHBondContact O-CB 3.39Å
123K84.8Confident83.5Confident45 Ų4549.4 Ų49.420%0.19625%0.252CS..Iπ-helixtrans-74.1-44.2178.1-74.1-168.7169.4-171.90112.8E23 L37 I119 Q120E23-K123 IonicContact OE1-NZ 2.73Å; E23-K123 PolarHBondContact OE1-NZ 2.91Å; E23-K123 IonicContact OE2-NZ 2.79Å; E23-K123 PolarHBondContact OE2-NZ 3.43Å; L37-K123 HydrophobicContact CD2-CD 4.33Å; L37-K123 HydrophobicContact CD2-CG 3.82Å; I119-K123 HydrophobicContact CG2-CD 4.07Å; I119-K123 HydrophobicContact CG2-CG 4.28Å; I119-K123 WeakPolarHBondContact O-CB 3.41Å; I119-K123 WeakPolarHBondContact O-CG 3.47Å; I119-K123 PolarHBondContact O-N 3.4Å; Q120-K123 PolarHBondContact O-N 3.34Å
124E84.1Confident82.2Confident136 Ų13649 Ų4964%0.63625%0.252SS*.Iπ-helixtrans-101.4-34.6-166.2-61.4179.1177.500113.5Q120Q120-E124 WeakPolarHBondContact CG-OE2 3.41Å; Q120-E124 PolarHBondContact NE2-OE2 3.09Å; Q120-E124 WeakPolarHBondContact O-CB 3.23Å; Q120-E124 PolarHBondContact O-N 3.1Å
125E84.1Confident81Confident92 Ų9251.6 Ų51.643%0.4327%0.269SS..Iπ-helixtrans-112.6-18.2-168.4-66.9-177.8-140.900113.8F121 F127 A128 F129F121-E125 HydrophobicContact CD2-CB 3.61Å; F121-E125 HydrophobicContact CD2-CG 4.44Å; F121-E125 HydrophobicContact CE2-CB 3.84Å; F121-E125 CarbonylContact O-C 3.5Å; F121-E125 WeakPolarHBondContact O-CA 3.47Å; F121-E125 WeakPolarHBondContact O-CB 3.44Å; F121-E125 PolarHBondContact O-N 3.21Å; E125-F127 VanDerWaalsContact C-N 3.32Å; E125-F127 PolarHBondContact O-N 2.88Å; E125-A128 PolarHBondContact O-N 3.07Å; E125-A128 VanDerWaalsContact O-N 3.14Å; E125-F129 WeakPolarHBondContact O-CB 3.31Å; E125-F129 PolarHBondContact O-N 3.3Å
126A83.2Confident80.3Confident2 Ų252.3 Ų52.32%0.01727%0.273CS..Hα-helixtrans-57.2-41-174.400000113.6L98 F121 L122 F129 L130L98-A126 HydrophobicContact CD2-CB 4.12Å; F121-A126 PolarHBondContact O-N 2.93Å; L122-A126 WeakPolarHBondContact O-CB 3.39Å; A126-F129 PolarHBondContact O-N 3.33Å; A126-L130 WeakPolarHBondContact O-CB 3.37Å; A126-L130 VanDerWaalsContact O-CG 3.28Å; A126-L130 WeakPolarHBondContact O-CG 3.25Å; A126-L130 PolarHBondContact O-N 2.92Å
127F80.3Confident79.4Confident33 Ų3354.8 Ų54.815%0.14529%0.286CS..Hα-helixtrans-64.3-44178-85.9-58.6000112.3L39 L41 L62 W89 E125 D131 V132L39-F127 HydrophobicContact CB-CD2 4.11Å; L39-F127 HydrophobicContact CB-CE2 3.32Å; L39-F127 HydrophobicContact CB-CZ 3.95Å; L39-F127 HydrophobicContact CD1-CD2 4.29Å; L39-F127 HydrophobicContact CD1-CE2 3.77Å; L39-F127 HydrophobicContact CD1-CZ 3.86Å; L39-F127 HydrophobicContact CG-CE2 4.22Å; L41-F127 HydrophobicContact CD2-CE1 4.22Å; L41-F127 HydrophobicContact CD2-CE2 3.68Å; L41-F127 HydrophobicContact CD2-CZ 3.34Å; L62-F127 HydrophobicContact CD1-CZ 4.42Å; W89-F127 AromaticContact CH2-CE1 3.88Å; W89-F127 HydrophobicContact CH2-CE1 3.88Å; W89-F127 AromaticContact CH2-CZ 3.89Å; W89-F127 HydrophobicContact CH2-CZ 3.89Å; W89-F127 AromaticContact CZ3-CE1 3.88Å; W89-F127 HydrophobicContact CZ3-CE1 3.88Å; W89-F127 HydrophobicContact CZ3-CZ 4.24Å; E125-F127 VanDerWaalsContact C-N 3.32Å; E125-F127 PolarHBondContact O-N 2.88Å; F127-D131 PolarHBondContact O-N 3.39Å; F127-V132 HydrophobicContact CD1-CB 3.89Å; F127-V132 HydrophobicContact CD1-CG1 3.92Å; F127-V132 HydrophobicContact CE1-CB 4.33Å; F127-V132 HydrophobicContact CE1-CG1 3.9Å; F127-V132 PolarHBondContact O-N 3.44Å
128A80.2Confident78.6Confident85 Ų8553.2 Ų53.270%0.70228%0.276SS*.Hα-helixtrans-66.7-39.2177.600000111.5E125 D131E125-A128 PolarHBondContact O-N 3.07Å; E125-A128 VanDerWaalsContact O-N 3.14Å; A128-D131 PolarHBondContact O-N 3.33Å
129F79.6Confident77.2Confident90 Ų9059 Ų5940%0.39531%0.311SS..Hα-helixtrans-67.8-40.5178.6177.7-101.6000112.9L98 R101 F121 E125 A126 D131L98-F129 HydrophobicContact CD2-CD1 4.07Å; L98-F129 HydrophobicContact CD2-CE1 4.49Å; R101-F129 HydrophobicContact CB-CE1 3.93Å; R101-F129 HydrophobicContact CB-CE2 4.39Å; R101-F129 HydrophobicContact CB-CZ 3.77Å; R101-F129 HydrophobicContact CG-CE1 4.3Å; R101-F129 HydrophobicContact CG-CE2 4.17Å; R101-F129 HydrophobicContact CG-CZ 4.04Å; F121-F129 HydrophobicContact CE2-CB 4.13Å; F121-F129 HydrophobicContact CE2-CG 4.23Å; F121-F129 HydrophobicContact CZ-CB 4.03Å; F121-F129 AromaticContact CZ-CD1 3.91Å; F121-F129 HydrophobicContact CZ-CD1 3.91Å; F121-F129 HydrophobicContact CZ-CD2 4.47Å; F121-F129 AromaticContact CZ-CG 3.88Å; F121-F129 HydrophobicContact CZ-CG 3.88Å; E125-F129 WeakPolarHBondContact O-CB 3.31Å; E125-F129 PolarHBondContact O-N 3.3Å; A126-F129 PolarHBondContact O-N 3.33Å; F129-D131 VanDerWaalsContact C-N 3.28Å; F129-D131 PolarHBondContact O-N 2.88Å
130L76.3Confident75.8Confident25 Ų2564.4 Ų64.413%0.13133%0.334CS..THydrogen-bonded Turntrans-82-2.5-179.4-67.2176.9000114.1L90 Q94 L98 A126 V132L90-L130 HydrophobicContact CD1-CD1 4.23Å; L90-L130 HydrophobicContact CD2-CD1 3.75Å; Q94-L130 HydrophobicContact CB-CD1 4.27Å; Q94-L130 HydrophobicContact CB-CD2 3.96Å; Q94-L130 HydrophobicContact CG-CD2 4.3Å; Q94-L130 WeakPolarHBondContact O-CD2 3.48Å; L98-L130 HydrophobicContact CD1-CD1 3.92Å; L98-L130 HydrophobicContact CD2-CD1 3.88Å; L98-L130 HydrophobicContact CD2-CD2 4.02Å; L98-L130 HydrophobicContact CD2-CG 3.88Å; L98-L130 HydrophobicContact CG-CD1 3.9Å; L98-L130 HydrophobicContact CG-CD2 4.04Å; L98-L130 HydrophobicContact CG-CG 4.23Å; A126-L130 WeakPolarHBondContact O-CB 3.37Å; A126-L130 VanDerWaalsContact O-CG 3.28Å; A126-L130 WeakPolarHBondContact O-CG 3.25Å; A126-L130 PolarHBondContact O-N 2.92Å; L130-V132 HydrophobicContact CB-CG2 3.72Å; L130-V132 PolarHBondContact O-N 3.48Å; L130-V132 VanDerWaalsContact O-N 3.12Å
131D69.9Low73.9Confident100 Ų10062.4 Ų62.454%0.53533%0.334SS..THydrogen-bonded Turntrans47.335.4-172-164.439.5000112.8F127 A128 F129 K133F127-D131 PolarHBondContact O-N 3.39Å; A128-D131 PolarHBondContact O-N 3.33Å; F129-D131 VanDerWaalsContact C-N 3.28Å; F129-D131 PolarHBondContact O-N 2.88Å; D131-K133 PolarHBondContact O-N 2.99Å; D131-K133 WeakPolarHBondContact OD1-CE 3.42Å; D131-K133 IonicContact OD1-NZ 3.87Å; D131-K133 PolarHBondContact OD1-NZ 2.96Å; D131-K133 IonicContact OD2-NZ 2.67Å; D131-K133 PolarHBondContact OD2-NZ 2.72Å
132V68.7Low71.4Confident19 Ų1965 Ų6512%0.11536%0.363CS..  trans-73.8101.8178.4169.80000107.9F45 L90 F127 L130 L136F45-V132 HydrophobicContact CZ-CG1 4.31Å; L90-V132 HydrophobicContact CD2-CG2 4.49Å; F127-V132 HydrophobicContact CD1-CB 3.89Å; F127-V132 HydrophobicContact CD1-CG1 3.92Å; F127-V132 HydrophobicContact CE1-CB 4.33Å; F127-V132 HydrophobicContact CE1-CG1 3.9Å; F127-V132 PolarHBondContact O-N 3.44Å; L130-V132 HydrophobicContact CB-CG2 3.72Å; L130-V132 PolarHBondContact O-N 3.48Å; L130-V132 VanDerWaalsContact O-N 3.12Å; V132-L136 HydrophobicContact CG1-CD1 3.74Å
133K64.7Low68.9Low133 Ų13373.3 Ų73.358%0.57841%0.407SS*.PPolyproline II helixtrans-92.2146.2178.6-71.2175.3175.2124.50110.7D131 P135D131-K133 PolarHBondContact O-N 2.99Å; D131-K133 WeakPolarHBondContact OD1-CE 3.42Å; D131-K133 IonicContact OD1-NZ 3.87Å; D131-K133 PolarHBondContact OD1-NZ 2.96Å; D131-K133 IonicContact OD2-NZ 2.67Å; D131-K133 PolarHBondContact OD2-NZ 2.72Å; K133-P135 CarbonylContact O-C 3.56Å
134S62Low66.2Low55 Ų5574.9 Ų74.939%0.38543%0.429SS..SBendtrans-69.3130.1160.5179.90000107.8K46K46-S134 PolarHBondContact N-OG 3.48Å; K46-S134 VanDerWaalsContact N-OG 3.11Å
135P67.6Low63.6Low55 Ų5573.9 Ų73.936%0.35743%0.434SS..SBendcis-84.8141.32.330.1-30000114.1K46 I48 K133 E137K46-P135 HydrophobicContact CB-CB 4.02Å; K46-P135 CarbonylContact O-C 3.3Å; K46-P135 WeakPolarHBondContact O-CA 3.44Å; I48-P135 HydrophobicContact CB-CB 4.14Å; I48-P135 HydrophobicContact CD1-CB 3.56Å; I48-P135 HydrophobicContact CD1-CG 3.27Å; I48-P135 HydrophobicContact CG1-CB 3.55Å; I48-P135 HydrophobicContact CG1-CG 3.88Å; K133-P135 CarbonylContact O-C 3.56Å; P135-E137 PolarHBondContact O-N 3.2Å
136L74.8Confident61Low15 Ų1575.3 Ų75.38%0.07945%0.449CS..EExtended strand (participates in β ladder)trans-76121.2171.7-17675.9000109.9F45 K46 L47 I48 W89 V132F45-L136 HydrophobicContact CE1-CB 3.73Å; F45-L136 HydrophobicContact CZ-CB 3.8Å; K46-L136 PolarHBondContact O-N 2.8Å; L47-L136 WeakPolarHBondContact CA-O 3.3Å; L47-L136 HydrophobicContact CD2-CB 3.77Å; L47-L136 HydrophobicContact CD2-CD2 3.76Å; L47-L136 HydrophobicContact CD2-CG 4.27Å; I48-L136 PolarHBondContact N-O 2.73Å; W89-L136 HydrophobicContact CB-CD2 4.46Å; W89-L136 HydrophobicContact CE3-CD2 4.31Å; V132-L136 HydrophobicContact CG1-CD1 3.74Å
137E70.9Confident58.2Low144 Ų14482.9 Ų82.967%0.67348%0.483SS*.EExtended strand (participates in β ladder)trans-80.9119.8177.1-67.5-178.3179.900111.2I48 P135I48-E137 CarbonylContact O-C 3.51Å; I48-E137 WeakPolarHBondContact O-CA 3.28Å; P135-E137 PolarHBondContact O-N 3.2Å
138V72.1Confident55.5Low6 Ų691.4 Ų91.44%0.03652%0.515CS..EExtended strand (participates in β ladder)trans-108116.6177.3173.70000108.7L47 I48 D50 K140 I188 L192L47-V138 HydrophobicContact CD2-CG2 4.39Å; I48-V138 PolarHBondContact O-N 3.44Å; D50-V138 PolarHBondContact N-O 3.47Å; V138-K140 PolarHBondContact O-N 3.24Å; V138-I188 HydrophobicContact CG1-CD1 3.72Å; V138-I188 HydrophobicContact CG1-CG1 3.4Å; V138-L192 HydrophobicContact CG2-CD1 3.99Å
139V63.6Low52.8Low120 Ų12095.6 Ų95.673%0.72752%0.517SS*.EExtended strand (participates in β ladder)trans-74120.6179.1-177.40000109.5G141V139-G141 PolarHBondContact O-N 3.4Å
140K58.8Low50.2Low115 Ų11599.6 Ų99.650%0.553%0.53SS..  trans-71.1125.8172-158.5170-170.8167.80109V49 V138 G142V49-K140 HydrophobicContact CG1-CB 4.05Å; V49-K140 HydrophobicContact CG1-CD 4.28Å; V49-K140 HydrophobicContact CG1-CG 4.48Å; V138-K140 PolarHBondContact O-N 3.24Å; K140-G142 VanDerWaalsContact C-N 3.27Å; K140-G142 PolarHBondContact O-N 2.92Å
141G48.3Very low47.8Very low35 Ų35104 Ų10436%0.36156%0.562SS.*  trans-60.386.117400000111.3V139V139-G141 PolarHBondContact O-N 3.4Å
142G37.9Very low45.7Very low60 Ų60106.4 Ų106.462%0.61957%0.571SS**  trans-95.5128.5177.400000110.6K140 A144K140-G142 VanDerWaalsContact C-N 3.27Å; K140-G142 PolarHBondContact O-N 2.92Å; G142-A144 VanDerWaalsContact C-N 3.33Å; G142-A144 PolarHBondContact O-N 2.95Å
143N35.8Very low43.8Very low175 Ų175110.1 Ų110.194%0.93660%0.603SS**  trans-52.290167.4-78.3-28.2000111.2
144A28.1Very low41.9Very low78 Ų78107.4 Ų107.465%0.64561%0.613SS**  trans-89.2119155.800000107.2G142 V146G142-A144 VanDerWaalsContact C-N 3.33Å; G142-A144 PolarHBondContact O-N 2.95Å; A144-V146 PolarHBondContact O-N 3.11Å; A144-V146 VanDerWaalsContact O-N 3.07Å
145P28.1Very low40.4Very low115 Ų115111.7 Ų111.775%0.74764%0.636SS**  trans-62.5116.8170.926.2-29.7000107.2E147P145-E147 VanDerWaalsContact C-N 3.27Å; P145-E147 PolarHBondContact O-N 3.18Å
146V31.4Very low38.4Very low122 Ų122118.9 Ų118.974%0.73966%0.662SS**  trans-66.297.1165.1-179.70000105.6A144 W148A144-V146 PolarHBondContact O-N 3.11Å; A144-V146 VanDerWaalsContact O-N 3.07Å; V146-W148 PolarHBondContact O-N 3.32Å
147E23.4Very low36.1Very low160 Ų160129.6 Ų129.675%0.74870%0.701SS**  trans-62.193.1164.5-80.3-166.7162.300107.6P145 K149P145-E147 VanDerWaalsContact C-N 3.27Å; P145-E147 PolarHBondContact O-N 3.18Å; E147-K149 PolarHBondContact O-N 3.07Å
148W23.9Very low34.1Very low212 Ų212127.8 Ų127.880%0.80371%0.711SS**  trans-66.391.3162.4-168.4-75.2000107.3V146 R150V146-W148 PolarHBondContact O-N 3.32Å; W148-R150 PolarHBondContact O-N 2.84Å
149K22.3Very low31.8Very low174 Ų174131.4 Ų131.476%0.75775%0.75SS**  trans-65.491163.2-85-175.4178.3172.50107.9E147 S151E147-K149 PolarHBondContact O-N 3.07Å; K149-S151 VanDerWaalsContact C-N 3.32Å; K149-S151 PolarHBondContact O-N 3.36Å
150R25.8Very low30Very low174 Ų174130.9 Ų130.966%0.65775%0.752SS**  trans-64.194.7159.2-113.8174.169.7171.43.4106.9W148 E152W148-R150 PolarHBondContact O-N 2.84Å; R150-E152 VanDerWaalsContact C-N 3.34Å; R150-E152 IonicContact CZ-OE2 2.69Å; R150-E152 IonicContact NE-OE2 3.54Å; R150-E152 IonicContact NH2-OE1 3.28Å; R150-E152 PolarHBondContact NH2-OE1 3.02Å; R150-E152 IonicContact NH2-OE2 3.68Å; R150-E152 PolarHBondContact NH2-OE2 3.17Å; R150-E152 PolarHBondContact O-N 3.41Å
151S25.8Very low28.5Very low116 Ų116132.3 Ų132.381%0.81176%0.764SS**  trans-8485.8158.944.90000108.4K149 A153K149-S151 VanDerWaalsContact C-N 3.32Å; K149-S151 PolarHBondContact O-N 3.36Å; S151-A153 PolarHBondContact O-N 3.05Å
152E26.5Very low27.4Very low152 Ų152137.1 Ų137.171%0.7179%0.786SS**  trans-69.8111.5155.5-82.6175.8126.200108.3R150R150-E152 VanDerWaalsContact C-N 3.34Å; R150-E152 IonicContact CZ-OE2 2.69Å; R150-E152 IonicContact NE-OE2 3.54Å; R150-E152 IonicContact NH2-OE1 3.28Å; R150-E152 PolarHBondContact NH2-OE1 3.02Å; R150-E152 IonicContact NH2-OE2 3.68Å; R150-E152 PolarHBondContact NH2-OE2 3.17Å; R150-E152 PolarHBondContact O-N 3.41Å
153A27.4Very low27Very low96 Ų96137.7 Ų137.779%0.79379%0.792SS**  trans-156.493.6155.800000111.4S151S151-A153 PolarHBondContact O-N 3.05Å
154G26.4Very low26.5Very low77 Ų77138.9 Ų138.979%0.79479%0.792SS**  57.3103.112400000119.1K156G154-K156 PolarHBondContact O-N 3.14Å
155V29.7Very low26.8Very low144 Ų144145.1 Ų145.187%0.87381%0.805SS**  trans-39.6118.7152.5174.80000112
156K26Very low26.9Very low207 Ų207147.7 Ų147.790%0.981%0.812SS**  trans-148.1146.2143.4-72.9-159.8-179.5173.70111.9G154G154-K156 PolarHBondContact O-N 3.14Å
157R25.9Very low27Very low239 Ų239151.6 Ų151.690%0.90282%0.819SS**  trans-70.9151.2-166.5-79.2170.8163172.1-5.9115.8
158A29Very low27.2Very low107 Ų107151.7 Ų151.788%0.88482%0.824SS**  trans50.3120.6137.100000120.7
159G24.3Very low27.5Very low82 Ų82149.6 Ų149.685%0.84582%0.823SS**  trans-178.4121160.200000110.9
160S26Very low28.2Very low109 Ų109147.2 Ų147.276%0.76283%0.825SS**  trans-76.2145.4-177.9-171.70000112.3
161L26.6Very low28.9Very low144 Ų144146.3 Ų146.375%0.75483%0.833SS**  146.6135.6125.1-80.3168000114.8
162T25.9Very low29.7Very low136 Ų136147.2 Ų147.283%0.83483%0.828SS**  trans67.6126.1153.655.10000118.3
163G28.2Very low30.7Very low72 Ų72148.6 Ų148.674%0.74283%0.834SS**  trans-90.3174.1-172.100000113.8
164E26.6Very low32.1Very low201 Ų201147.3 Ų147.394%0.93981%0.814SS**  trans-154.9134.3147.4-107.4170.3139.500107.1D166E164-D166 PolarHBondContact O-N 2.82Å
165K34.5Very low34.2Very low209 Ų209144.6 Ų144.691%0.90978%0.781SS**  trans-77.1109-178.2-75.6173.6170.5178.10108
166D29.3Very low36.1Very low168 Ų168143.2 Ų143.290%0.89878%0.775SS**  trans-103.3127.1159.8-99.9-29.4000110.2E164 L168E164-D166 PolarHBondContact O-N 2.82Å; D166-L168 PolarHBondContact O-N 3.41Å
167K32.7Very low38.5Very low205 Ų205136.3 Ų136.389%0.89174%0.743SS**  trans-67.5108.5-178-69.3172.4175.9178.60108.8E169K167-E169 PolarHBondContact O-N 2.91Å
168L29.1Very low40.6Very low161 Ų161125.1 Ų125.184%0.84370%0.702SS**  trans-79.7112.3163.9-169.568.5000107.6D166D166-L168 PolarHBondContact O-N 3.41Å
169E29.2Very low42.6Very low169 Ų169123.3 Ų123.379%0.7968%0.679SS**PPolyproline II helixtrans-56.8141.9167-67.4177.6145.100109.3K167 L171K167-E169 PolarHBondContact O-N 2.91Å; E169-L171 PolarHBondContact O-N 3.48Å
170P36.7Very low44.4Very low123 Ų123122.8 Ų122.880%0.79966%0.657SS**PPolyproline II helixtrans-69.4120.6-175.8-1.316.5000109L172P170-L172 PolarHBondContact O-N 2.99Å; P170-L172 VanDerWaalsContact O-N 3.13Å
171L40Very low45.8Very low155 Ų155121.4 Ų121.481%0.81264%0.644SS**PPolyproline II helixtrans-52.5118.6160.2-78.3156.9000107.2E169 E173E169-L171 PolarHBondContact O-N 3.48Å; L171-E173 PolarHBondContact O-N 3.46Å
172L42.8Very low47.2Very low136 Ų136115.8 Ų115.871%0.71262%0.615SS**  trans-53.9106.6175.8-72.8158.1000108.5P170 L174P170-L172 PolarHBondContact O-N 2.99Å; P170-L172 VanDerWaalsContact O-N 3.13Å; L172-L174 PolarHBondContact O-N 2.94Å
173E48Very low48.6Very low180 Ų180113.5 Ų113.584%0.84160%0.598SS**  trans-63.5105.6171.2-74.6-177.1160.200107.8L171L171-E173 PolarHBondContact O-N 3.46Å
174L58.2Low50Low70 Ų70115.6 Ų115.637%0.36660%0.598SS.*  trans-66.3133.8176.2-69.3160.5000109.3R92 D93 L172R92-L174 HydrophobicContact CB-CD2 4.26Å; R92-L174 HydrophobicContact CG-CD2 4Å; D93-L174 VanDerWaalsContact OD1-CD2 3.29Å; D93-L174 WeakPolarHBondContact OD1-CD2 3.32Å; L172-L174 PolarHBondContact O-N 2.94Å
175D68.6Low51.3Low19 Ų19115.6 Ų115.610%0.10259%0.59CS.*  trans-65.5129.9-175.1-163.3-53.5000110.7T96 R177 A178T96-D175 HydrophobicContact CG2-CB 3.96Å; T96-D175 PolarHBondContact OG1-N 3.37Å; D175-R177 PolarHBondContact O-N 2.98Å; D175-R177 WeakPolarHBondContact OD1-CB 3.37Å; D175-R177 WeakPolarHBondContact OD1-CG 3.39Å; D175-R177 IonicContact OD1-CZ 3.49Å; D175-R177 PolarHBondContact OD1-N 3.25Å; D175-R177 IonicContact OD1-NE 3.4Å; D175-R177 PolarHBondContact OD1-NE 3.47Å; D175-R177 IonicContact OD1-NH2 3.63Å; D175-R177 IonicContact OD2-CZ 3.36Å; D175-R177 IonicContact OD2-NE 2.78Å; D175-R177 PolarHBondContact OD2-NE 3.3Å; D175-R177 IonicContact OD2-NH2 3Å; D175-R177 PolarHBondContact OD2-NH2 2.9Å; D175-A178 PolarHBondContact O-N 3.14Å
176P70.8Confident52.7Low115 Ų115108.9 Ų108.975%0.74757%0.566SS**THydrogen-bonded Turntrans-63.9-19177.726-34.9000113.5A178P176-A178 VanDerWaalsContact C-N 3.34Å
177R76.3Confident54.7Low63 Ų63103.4 Ų103.424%0.23854%0.537CS..THydrogen-bonded Turntrans-80.5-13.3178.2-61172.3-70.8177.21113.4Y83 L85 D103 D175 V179Y83-R177 VanDerWaalsContact CE1-NH1 3.27Å; Y83-R177 WeakPolarHBondContact O-CD 3.12Å; Y83-R177 WeakPolarHBondContact O-CG 3.26Å; Y83-R177 PolarHBondContact OH-NH1 2.91Å; L85-R177 PolarHBondContact N-O 2.94Å; D103-R177 IonicContact OD1-CZ 3.46Å; D103-R177 IonicContact OD1-NH1 3.37Å; D103-R177 PolarHBondContact OD1-NH1 3.47Å; D103-R177 IonicContact OD1-NH2 3.68Å; D103-R177 IonicContact OD2-CZ 3.86Å; D103-R177 IonicContact OD2-NH1 3.58Å; D103-R177 PolarHBondContact OD2-NH1 3.49Å; D103-R177 IonicContact OD2-NH2 2.75Å; D103-R177 PolarHBondContact OD2-NH2 2.89Å; D175-R177 PolarHBondContact O-N 2.98Å; D175-R177 WeakPolarHBondContact OD1-CB 3.37Å; D175-R177 WeakPolarHBondContact OD1-CG 3.39Å; D175-R177 IonicContact OD1-CZ 3.49Å; D175-R177 PolarHBondContact OD1-N 3.25Å; D175-R177 IonicContact OD1-NE 3.4Å; D175-R177 PolarHBondContact OD1-NE 3.47Å; D175-R177 IonicContact OD1-NH2 3.63Å; D175-R177 IonicContact OD2-CZ 3.36Å; D175-R177 IonicContact OD2-NE 2.78Å; D175-R177 PolarHBondContact OD2-NE 3.3Å; D175-R177 IonicContact OD2-NH2 3Å; D175-R177 PolarHBondContact OD2-NH2 2.9Å; R177-V179 PolarHBondContact O-N 3.35Å
178A70.9Confident56.9Low3 Ų395 Ų953%0.02550%0.502CS..EExtended strand (participates in β ladder)trans-83.893174.900000110.4R92 M95 D175 P176R92-A178 HydrophobicContact CG-CB 4.33Å; M95-A178 HydrophobicContact CB-CB 3.74Å; M95-A178 HydrophobicContact CE-CB 4.23Å; D175-A178 PolarHBondContact O-N 3.14Å; P176-A178 VanDerWaalsContact C-N 3.34Å
179V70.6Confident59.3Low69 Ų6988 Ų8842%0.41847%0.465SS..EExtended strand (participates in β ladder)trans-92.9109.8-177.4-176.30000109.9L85 S86 M95 R177 V181L85-V179 PolarHBondContact O-N 3.34Å; S86-V179 WeakPolarHBondContact CA-O 3.18Å; M95-V179 WeakPolarHBondContact CE-O 3.04Å; R177-V179 PolarHBondContact O-N 3.35Å; V179-V181 PolarHBondContact O-N 2.92Å
180L61.4Low61.9Low72 Ų7282.9 Ų82.938%0.37745%0.447SS..EExtended strand (participates in β ladder)trans-71.3114.9167.8-68.4173.1000108.7R92 M95 V182R92-L180 HydrophobicContact CB-CD1 4.12Å; R92-L180 HydrophobicContact CB-CD2 4.4Å; R92-L180 HydrophobicContact CB-CG 4.33Å; R92-L180 HydrophobicContact CG-CD1 4.44Å; R92-L180 HydrophobicContact CG-CG 4.45Å; M95-L180 HydrophobicContact SD-CD2 4.01Å; L180-V182 PolarHBondContact O-N 3.12Å
181V56.4Low64Low80 Ų8080.5 Ų80.549%0.48543%0.425SS..  trans-73.5-10.9179.8-173.10000111.6S86 V179S86-V181 VanDerWaalsContact CB-CG2 3.41Å; S86-V181 WeakPolarHBondContact OG-CG2 3.48Å; V179-V181 PolarHBondContact O-N 2.92Å
182V55.4Low66.2Low25 Ų2573.1 Ų73.115%0.15239%0.386CS..SBendtrans-119.2134.4-170.6-169.20000110.5K88 L180 T186 I188K88-V182 HydrophobicContact CB-CG2 4.15Å; K88-V182 HydrophobicContact CG-CG2 4.02Å; L180-V182 PolarHBondContact O-N 3.12Å; V182-T186 WeakPolarHBondContact CG1-OG1 3.37Å; V182-I188 HydrophobicContact CB-CG2 4.19Å; V182-I188 HydrophobicContact CG1-CG2 3.57Å; V182-I188 HydrophobicContact CG2-CG2 4.09Å
183D56Low68.2Low89 Ų8968.9 Ų68.948%0.47636%0.364SS..  trans-58.4128.5168.4-173.9-41.3000107.9R185 T186D183-R185 PolarHBondContact O-N 2.89Å; D183-R185 WeakPolarHBondContact OD1-CB 3.44Å; D183-R185 VanDerWaalsContact OD1-CG 3.26Å; D183-R185 WeakPolarHBondContact OD1-CG 3.35Å; D183-R185 PolarHBondContact OD1-N 3.43Å; D183-T186 PolarHBondContact O-N 2.79Å; D183-T186 PolarHBondContact O-OG1 3.15Å
184P55.9Low70Confident115 Ų11565.4 Ų65.475%0.74735%0.351SS*.THydrogen-bonded Turntrans-53-11.9177.1-25.332.6000114.9
185R53.6Low71.3Confident201 Ų20164.4 Ų64.476%0.75834%0.344SS*.THydrogen-bonded Turntrans-95.5-12.4180-58.7171.2178.3-173.90.5114.5D183D183-R185 PolarHBondContact O-N 2.89Å; D183-R185 WeakPolarHBondContact OD1-CB 3.44Å; D183-R185 VanDerWaalsContact OD1-CG 3.26Å; D183-R185 WeakPolarHBondContact OD1-CG 3.35Å; D183-R185 PolarHBondContact OD1-N 3.43Å
186T65.7Low72.2Confident68 Ų6863.7 Ų63.742%0.41734%0.34SS..SBendtrans-87.3133-179.728.90000111.9V182 D183 I188V182-T186 WeakPolarHBondContact CG1-OG1 3.37Å; D183-T186 PolarHBondContact O-N 2.79Å; D183-T186 PolarHBondContact O-OG1 3.15Å; T186-I188 PolarHBondContact O-N 2.9Å
187D70.4Confident72.9Confident54 Ų5463 Ų6329%0.28933%0.327SS..  trans-67.2112.9173-166-10000109.2L189D187-L189 VanDerWaalsContact OD1-CB 3.31Å; D187-L189 WeakPolarHBondContact OD1-CB 3.4Å; D187-L189 PolarHBondContact OD1-N 2.78Å; D187-L189 VanDerWaalsContact OD1-N 3.11Å
188I78Confident73.3Confident28 Ų2862.4 Ų62.414%0.14434%0.335CS..  trans-81.5-17.7179.555.3170.5000112.4K88 V138 V182 T186 Q191 L192K88-I188 WeakPolarHBondContact O-CD1 3.39Å; V138-I188 HydrophobicContact CG1-CD1 3.72Å; V138-I188 HydrophobicContact CG1-CG1 3.4Å; V182-I188 HydrophobicContact CB-CG2 4.19Å; V182-I188 HydrophobicContact CG1-CG2 3.57Å; V182-I188 HydrophobicContact CG2-CG2 4.09Å; T186-I188 PolarHBondContact O-N 2.9Å; I188-Q191 WeakPolarHBondContact O-CB 3.31Å; I188-Q191 PolarHBondContact O-N 3.24Å; I188-L192 HydrophobicContact CD1-CD1 4.4Å; I188-L192 WeakPolarHBondContact O-CG 3.34Å; I188-L192 PolarHBondContact O-N 3.27Å
189L80.6Confident74.1Confident15 Ų1564 Ų648%0.07934%0.343CS..Hα-helixtrans-56.8-47.6-174.3179.475.1000113.2L47 V49 Y57 D187 Q191 L192 L193L47-L189 HydrophobicContact CD1-CD1 4.28Å; V49-L189 HydrophobicContact CG2-CB 4.45Å; V49-L189 HydrophobicContact CG2-CD1 3.58Å; V49-L189 HydrophobicContact CG2-CD2 3.55Å; V49-L189 HydrophobicContact CG2-CG 4.02Å; Y57-L189 HydrophobicContact CD2-CD1 4.11Å; Y57-L189 HydrophobicContact CE2-CD1 4.17Å; Y57-L189 HydrophobicContact CE2-CD2 3.95Å; D187-L189 VanDerWaalsContact OD1-CB 3.31Å; D187-L189 WeakPolarHBondContact OD1-CB 3.4Å; D187-L189 PolarHBondContact OD1-N 2.78Å; D187-L189 VanDerWaalsContact OD1-N 3.11Å; L189-Q191 VanDerWaalsContact C-N 3.26Å; L189-Q191 PolarHBondContact O-N 3.16Å; L189-L192 PolarHBondContact O-N 3.3Å; L189-L192 VanDerWaalsContact O-N 3.17Å; L189-L193 HydrophobicContact CD1-CD1 4.17Å; L189-L193 HydrophobicContact CD1-CG 4.24Å; L189-L193 HydrophobicContact CD2-CD1 4.47Å; L189-L193 HydrophobicContact CG-CD1 3.99Å; L189-L193 HydrophobicContact CG-CG 4.37Å; L189-L193 WeakPolarHBondContact O-CG 3.43Å; L189-L193 PolarHBondContact O-N 3.5Å
190P83.4Confident74.8Confident61 Ų6165.2 Ų65.240%0.39634%0.34SS..Hα-helixtrans-59.3-39.4177.5-22.834.7000112L192 L193 D194P190-L192 VanDerWaalsContact C-N 3.33Å; P190-L192 PolarHBondContact O-N 3.34Å; P190-L193 PolarHBondContact O-N 3.31Å; P190-D194 VanDerWaalsContact O-CB 3.25Å; P190-D194 WeakPolarHBondContact O-CB 3.47Å; P190-D194 PolarHBondContact O-N 2.92Å
191Q81.7Confident76Confident72 Ų7266.1 Ų66.134%0.33634%0.342SS..Hα-helixtrans-65.8-35.8179-61.4-176.847.800112.5K88 I188 L189 F195K88-Q191 VanDerWaalsContact NZ-OE1 3.11Å; I188-Q191 WeakPolarHBondContact O-CB 3.31Å; I188-Q191 PolarHBondContact O-N 3.24Å; L189-Q191 VanDerWaalsContact C-N 3.26Å; L189-Q191 PolarHBondContact O-N 3.16Å; Q191-F195 VanDerWaalsContact O-CB 3.3Å; Q191-F195 WeakPolarHBondContact O-CB 3.42Å; Q191-F195 PolarHBondContact O-N 2.74Å; Q191-F195 VanDerWaalsContact O-N 3.14Å
192L85.1Confident77.5Confident1 Ų167.1 Ų67.11%0.00534%0.34CS..Hα-helixtrans-69.4-45.2176.6-60.9-177.7000111.1L47 L62 P63 W89 V138 I188 L189 P190 F195 D196L47-L192 HydrophobicContact CD1-CB 4.08Å; L47-L192 HydrophobicContact CD1-CD1 3.93Å; L62-L192 HydrophobicContact CD2-CD1 4.47Å; L62-L192 HydrophobicContact CD2-CD2 4.14Å; P63-L192 VanDerWaalsContact CD-CD2 3.48Å; P63-L192 HydrophobicContact CG-CD2 3.66Å; W89-L192 HydrophobicContact CB-CD1 4.46Å; W89-L192 HydrophobicContact CB-CD2 4.06Å; V138-L192 HydrophobicContact CG2-CD1 3.99Å; I188-L192 HydrophobicContact CD1-CD1 4.4Å; I188-L192 WeakPolarHBondContact O-CG 3.34Å; I188-L192 PolarHBondContact O-N 3.27Å; L189-L192 PolarHBondContact O-N 3.3Å; L189-L192 VanDerWaalsContact O-N 3.17Å; P190-L192 VanDerWaalsContact C-N 3.33Å; P190-L192 PolarHBondContact O-N 3.34Å; L192-F195 PolarHBondContact O-N 3.17Å; L192-D196 WeakPolarHBondContact O-CB 3.22Å; L192-D196 PolarHBondContact O-N 2.86Å
193L85.1Confident79Confident47 Ų4769.8 Ų69.825%0.24636%0.356CS..Hα-helixtrans-68-41.7179.6-64.5178.4000112.2Y57 I59 L189 P190 F195 D196 E197Y57-L193 HydrophobicContact CD1-CD1 3.96Å; Y57-L193 HydrophobicContact CD1-CD2 4.11Å; Y57-L193 HydrophobicContact CE1-CD1 3.98Å; Y57-L193 HydrophobicContact CG-CD1 4.45Å; Y57-L193 HydrophobicContact CG-CD2 4.16Å; I59-L193 HydrophobicContact CG2-CD2 4.06Å; L189-L193 HydrophobicContact CD1-CD1 4.17Å; L189-L193 HydrophobicContact CD1-CG 4.24Å; L189-L193 HydrophobicContact CD2-CD1 4.47Å; L189-L193 HydrophobicContact CG-CD1 3.99Å; L189-L193 HydrophobicContact CG-CG 4.37Å; L189-L193 WeakPolarHBondContact O-CG 3.43Å; L189-L193 PolarHBondContact O-N 3.5Å; P190-L193 PolarHBondContact O-N 3.31Å; L193-F195 VanDerWaalsContact C-N 3.33Å; L193-F195 PolarHBondContact O-N 3.46Å; L193-D196 PolarHBondContact O-N 3.12Å; L193-E197 WeakPolarHBondContact O-CB 3.35Å; L193-E197 PolarHBondContact O-N 3.02Å
194D85.6Confident80.6Confident106 Ų10667 Ų6757%0.56734%0.34SS*.Hα-helixtrans-63-41.3176.7-69.9-15.5000111P190 A198P190-D194 VanDerWaalsContact O-CB 3.25Å; P190-D194 WeakPolarHBondContact O-CB 3.47Å; P190-D194 PolarHBondContact O-N 2.92Å; D194-A198 VanDerWaalsContact O-CB 3.26Å; D194-A198 WeakPolarHBondContact O-CB 3.43Å; D194-A198 PolarHBondContact O-N 3.34Å
195F86.1Confident82.3Confident49 Ų4964 Ų6422%0.21532%0.317CS..Hα-helixtrans-66.5-45.8176.2-176.3-89.6000111.7F61 L62 P63 Q191 L192 L193 A198 Q199F61-F195 HydrophobicContact CB-CE1 4.31Å; L62-F195 WeakPolarHBondContact O-CE1 3.49Å; P63-F195 HydrophobicContact CB-CD1 4.43Å; P63-F195 HydrophobicContact CB-CD2 4.48Å; P63-F195 HydrophobicContact CB-CG 4.36Å; P63-F195 HydrophobicContact CG-CB 4.02Å; P63-F195 HydrophobicContact CG-CD1 4.03Å; P63-F195 HydrophobicContact CG-CD2 4.42Å; P63-F195 HydrophobicContact CG-CG 3.89Å; Q191-F195 VanDerWaalsContact O-CB 3.3Å; Q191-F195 WeakPolarHBondContact O-CB 3.42Å; Q191-F195 PolarHBondContact O-N 2.74Å; Q191-F195 VanDerWaalsContact O-N 3.14Å; L192-F195 PolarHBondContact O-N 3.17Å; L193-F195 VanDerWaalsContact C-N 3.33Å; L193-F195 PolarHBondContact O-N 3.46Å; F195-A198 PolarHBondContact O-N 3.36Å; F195-Q199 HydrophobicContact CD1-CG 3.87Å; F195-Q199 HydrophobicContact CE1-CG 3.39Å; F195-Q199 HydrophobicContact CE2-CG 4.21Å; F195-Q199 HydrophobicContact CG-CG 4.46Å; F195-Q199 HydrophobicContact CZ-CG 3.59Å; F195-Q199 VanDerWaalsContact CZ-NE2 3.29Å; F195-Q199 WeakPolarHBondContact O-CG 3.44Å; F195-Q199 PolarHBondContact O-N 3.45Å
196D86.8Confident84Confident5 Ų558.1 Ų58.13%0.02731%0.311CS..Hα-helixtrans-59-46.9176.8175.973.6000111.9I59 S60 F61 L192 L193 A198 Q199 R200I59-D196 HydrophobicContact CB-CB 4.39Å; I59-D196 HydrophobicContact CG2-CB 4.24Å; S60-D196 PolarHBondContact N-OD1 3.3Å; F61-D196 PolarHBondContact N-OD1 3.44Å; L192-D196 WeakPolarHBondContact O-CB 3.22Å; L192-D196 PolarHBondContact O-N 2.86Å; L193-D196 PolarHBondContact O-N 3.12Å; D196-A198 PolarHBondContact O-N 3.28Å; D196-Q199 PolarHBondContact O-N 3.49Å; D196-R200 WeakPolarHBondContact O-CB 3.32Å; D196-R200 VanDerWaalsContact O-CG 3.32Å; D196-R200 WeakPolarHBondContact O-CG 3.4Å; D196-R200 PolarHBondContact O-N 2.86Å; D196-R200 IonicContact OD1-CZ 3.87Å; D196-R200 IonicContact OD1-NE 3.55Å; D196-R200 WeakPolarHBondContact OD2-CD 3.47Å; D196-R200 IonicContact OD2-CZ 3.62Å; D196-R200 IonicContact OD2-NE 3.87Å; D196-R200 PolarHBondContact OD2-NE 3.33Å; D196-R200 IonicContact OD2-NH1 3.08Å; D196-R200 PolarHBondContact OD2-NH1 3.37Å; D196-R200 IonicContact OD2-NH2 2.63Å
197E85.1Confident85.2Confident99 Ų9960.9 Ų60.946%0.46332%0.317SS..Hα-helixtrans-62.6-42.7177-175.6167-152.100111.3L193 Q199 R200 Q201 K227L193-E197 WeakPolarHBondContact O-CB 3.35Å; L193-E197 PolarHBondContact O-N 3.02Å; E197-Q199 PolarHBondContact O-N 3.45Å; E197-R200 PolarHBondContact O-N 2.84Å; E197-Q201 WeakPolarHBondContact O-CB 3.38Å; E197-Q201 PolarHBondContact O-N 3.12Å; E197-K227 IonicContact OE1-NZ 3.81Å; E197-K227 PolarHBondContact OE1-NZ 3.42Å
198A86.3Confident86.3Confident51 Ų5161.2 Ų61.242%0.42133%0.328SS..Hα-helixtrans-62.7-42.4177.200000112.4D194 F195 D196 Q201 K202D194-A198 VanDerWaalsContact O-CB 3.26Å; D194-A198 WeakPolarHBondContact O-CB 3.43Å; D194-A198 PolarHBondContact O-N 3.34Å; F195-A198 PolarHBondContact O-N 3.36Å; D196-A198 PolarHBondContact O-N 3.28Å; A198-Q201 PolarHBondContact O-N 3.12Å; A198-K202 PolarHBondContact O-N 3.31Å
199Q86.9Confident87Confident38 Ų3861.8 Ų61.818%0.17833%0.329CS..Hα-helixtrans-70.5-42.1178.2-69.1-59-19.200112.2F61 F195 D196 E197 Q201 K202 V203F61-Q199 HydrophobicContact CB-CB 3.78Å; F61-Q199 HydrophobicContact CB-CG 4.12Å; F61-Q199 HydrophobicContact CD1-CB 4.12Å; F61-Q199 HydrophobicContact CD2-CB 3.61Å; F61-Q199 HydrophobicContact CE2-CB 4.24Å; F61-Q199 HydrophobicContact CG-CB 3.55Å; F61-Q199 HydrophobicContact CG-CG 4.31Å; F195-Q199 HydrophobicContact CD1-CG 3.87Å; F195-Q199 HydrophobicContact CE1-CG 3.39Å; F195-Q199 HydrophobicContact CE2-CG 4.21Å; F195-Q199 HydrophobicContact CG-CG 4.46Å; F195-Q199 HydrophobicContact CZ-CG 3.59Å; F195-Q199 VanDerWaalsContact CZ-NE2 3.29Å; F195-Q199 WeakPolarHBondContact O-CG 3.44Å; F195-Q199 PolarHBondContact O-N 3.45Å; D196-Q199 PolarHBondContact O-N 3.49Å; E197-Q199 PolarHBondContact O-N 3.45Å; Q199-Q201 PolarHBondContact O-N 2.69Å; Q199-K202 PolarHBondContact O-N 3.13Å; Q199-K202 VanDerWaalsContact O-N 3.15Å; Q199-V203 WeakPolarHBondContact O-CG2 3.33Å; Q199-V203 PolarHBondContact O-N 2.83Å
200R86Confident87.6Confident94 Ų9464.6 Ų64.636%0.35535%0.349SS..Hα-helixtrans-55.6-41.7170.9-76.6173.3167.8165.8-4.7111D58 I59 S60 F61 D196 E197 F204D58-R200 PolarHBondContact O-NH1 2.84Å; D58-R200 PolarHBondContact O-NH2 2.75Å; I59-R200 VanDerWaalsContact C-NH2 3.29Å; S60-R200 PolarHBondContact OG-NE 2.66Å; S60-R200 PolarHBondContact OG-NH2 3.28Å; F61-R200 HydrophobicContact CD2-CG 3.79Å; F61-R200 HydrophobicContact CE2-CB 4.39Å; F61-R200 HydrophobicContact CE2-CG 3.61Å; D196-R200 WeakPolarHBondContact O-CB 3.32Å; D196-R200 VanDerWaalsContact O-CG 3.32Å; D196-R200 WeakPolarHBondContact O-CG 3.4Å; D196-R200 PolarHBondContact O-N 2.86Å; D196-R200 IonicContact OD1-CZ 3.87Å; D196-R200 IonicContact OD1-NE 3.55Å; D196-R200 WeakPolarHBondContact OD2-CD 3.47Å; D196-R200 IonicContact OD2-CZ 3.62Å; D196-R200 IonicContact OD2-NE 3.87Å; D196-R200 PolarHBondContact OD2-NE 3.33Å; D196-R200 IonicContact OD2-NH1 3.08Å; D196-R200 PolarHBondContact OD2-NH1 3.37Å; D196-R200 IonicContact OD2-NH2 2.63Å; E197-R200 PolarHBondContact O-N 2.84Å; R200-F204 VanDerWaalsContact O-CB 3.32Å; R200-F204 WeakPolarHBondContact O-CB 3.38Å; R200-F204 PolarHBondContact O-N 2.9Å
201Q87Confident88.1Confident91 Ų9161.8 Ų61.843%0.42533%0.331SS..Hα-helixtrans-66.6-43.1176.3-171.162.949.700112.2E197 A198 Q199 V203 F204 D205E197-Q201 WeakPolarHBondContact O-CB 3.38Å; E197-Q201 PolarHBondContact O-N 3.12Å; A198-Q201 PolarHBondContact O-N 3.12Å; Q199-Q201 PolarHBondContact O-N 2.69Å; Q201-V203 PolarHBondContact O-N 3.24Å; Q201-F204 WeakPolarHBondContact O-CB 3.49Å; Q201-F204 PolarHBondContact O-N 2.85Å; Q201-D205 PolarHBondContact NE2-OD1 3.36Å; Q201-D205 VanDerWaalsContact O-CB 3.31Å; Q201-D205 WeakPolarHBondContact O-CB 3.34Å; Q201-D205 PolarHBondContact O-N 2.73Å
202K87.2Confident88.3Confident101 Ų10160.3 Ų60.344%0.43934%0.335SS..Hα-helixtrans-58.9-47.4174.7-77.6-171.7176.1-1670112.1E22 A198 Q199 F204 D205 A206E22-K202 IonicContact OE1-NZ 2.74Å; E22-K202 IonicContact OE2-NZ 2.73Å; A198-K202 PolarHBondContact O-N 3.31Å; Q199-K202 PolarHBondContact O-N 3.13Å; Q199-K202 VanDerWaalsContact O-N 3.15Å; K202-F204 VanDerWaalsContact C-N 3.32Å; K202-F204 PolarHBondContact O-N 3.38Å; K202-D205 PolarHBondContact O-N 2.88Å; K202-D205 VanDerWaalsContact O-N 3.17Å; K202-A206 PolarHBondContact O-N 2.98Å
203V87.5Confident88.6Confident81 Ų8163.6 Ų63.649%0.49135%0.352SS..Hα-helixtrans-62.6-41.6178.1171.80000110.9F61 Q199 Q201 K207F61-V203 HydrophobicContact CE1-CG2 4.36Å; F61-V203 HydrophobicContact CZ-CG2 3.82Å; Q199-V203 WeakPolarHBondContact O-CG2 3.33Å; Q199-V203 PolarHBondContact O-N 2.83Å; Q201-V203 PolarHBondContact O-N 3.24Å; V203-K207 WeakPolarHBondContact O-CB 3.38Å; V203-K207 PolarHBondContact O-N 3.14Å
204F89.4Confident89.1Confident31 Ų3163.1 Ų63.114%0.13635%0.352CS..Hα-helixtrans-60.3-48.8172.5177.9-96.1000110.9R200 Q201 K202 A206 K207 F209 G220 C223 C225 V232R200-F204 VanDerWaalsContact O-CB 3.32Å; R200-F204 WeakPolarHBondContact O-CB 3.38Å; R200-F204 PolarHBondContact O-N 2.9Å; Q201-F204 WeakPolarHBondContact O-CB 3.49Å; Q201-F204 PolarHBondContact O-N 2.85Å; K202-F204 VanDerWaalsContact C-N 3.32Å; K202-F204 PolarHBondContact O-N 3.38Å; F204-A206 VanDerWaalsContact C-N 3.27Å; F204-A206 PolarHBondContact O-N 3.46Å; F204-K207 PolarHBondContact O-N 3Å; F204-F209 HydrophobicContact CD2-CE1 4.46Å; F204-F209 AromaticContact CD2-CE2 3.57Å; F204-F209 HydrophobicContact CD2-CE2 3.57Å; F204-F209 AromaticContact CD2-CZ 3.46Å; F204-F209 HydrophobicContact CD2-CZ 3.46Å; F204-F209 VanDerWaalsContact CD2-CZ 3.46Å; F204-F209 HydrophobicContact CE2-CD2 4.15Å; F204-F209 HydrophobicContact CE2-CE1 4.14Å; F204-F209 AromaticContact CE2-CE2 3.46Å; F204-F209 HydrophobicContact CE2-CE2 3.46Å; F204-F209 VanDerWaalsContact CE2-CE2 3.46Å; F204-F209 AromaticContact CE2-CZ 3.45Å; F204-F209 HydrophobicContact CE2-CZ 3.45Å; F204-F209 VanDerWaalsContact CE2-CZ 3.45Å; F204-F209 HydrophobicContact CG-CE2 4.23Å; F204-F209 HydrophobicContact CG-CZ 4.45Å; F204-F209 HydrophobicContact CZ-CD2 4.42Å; F204-F209 HydrophobicContact CZ-CE2 4.06Å; F204-F209 HydrophobicContact CZ-CZ 4.44Å; F204-F209 WeakPolarHBondContact O-CE2 3.48Å; F204-G220 WeakPolarHBondContact CE1-O 3.31Å; F204-G220 VanDerWaalsContact O-CA 3.31Å; F204-G220 WeakPolarHBondContact O-CA 3.32Å; F204-C223 HydrophobicContact CE1-CB 4.4Å; F204-C223 HydrophobicContact CZ-CB 4.14Å; F204-C225 HydrophobicContact CE2-CB 3.79Å; F204-C225 HydrophobicContact CZ-CB 3.74Å; F204-V232 HydrophobicContact CE2-CG1 4.25Å; F204-V232 HydrophobicContact CE2-CG2 3.95Å; F204-V232 HydrophobicContact CZ-CG1 3.97Å; F204-V232 HydrophobicContact CZ-CG2 4.38Å
205D90.1Very high89.4Confident52 Ų5265.5 Ų65.528%0.27836%0.358SS..Hα-helixtrans-62.6-32.7-174.8-76-13000113.5Q201 K202 G220 S221Q201-D205 PolarHBondContact NE2-OD1 3.36Å; Q201-D205 VanDerWaalsContact O-CB 3.31Å; Q201-D205 WeakPolarHBondContact O-CB 3.34Å; Q201-D205 PolarHBondContact O-N 2.73Å; K202-D205 PolarHBondContact O-N 2.88Å; K202-D205 VanDerWaalsContact O-N 3.17Å; D205-G220 PolarHBondContact O-N 3.28Å; D205-S221 PolarHBondContact O-N 3.06Å; D205-S221 WeakPolarHBondContact OD1-CA 3.17Å; D205-S221 PolarHBondContact OD1-N 3.44Å
206A89.8Confident89.7Confident76 Ų7667.4 Ų67.463%0.62837%0.368SS*.Hα-helixtrans-78.9-24176.200000113.6K202 F204K202-A206 PolarHBondContact O-N 2.98Å; F204-A206 VanDerWaalsContact C-N 3.27Å; F204-A206 PolarHBondContact O-N 3.46Å
207K91.3Very high90.1Very high126 Ų12674.6 Ų74.655%0.54840%0.402SS..SBendtrans-79.6140.5-178.1-174.7171.2178.4178.80111.4V203 F204 F209 L219 G220V203-K207 WeakPolarHBondContact O-CB 3.38Å; V203-K207 PolarHBondContact O-N 3.14Å; F204-K207 PolarHBondContact O-N 3Å; K207-F209 HydrophobicContact CB-CE2 3.74Å; K207-F209 HydrophobicContact CB-CZ 4.03Å; K207-F209 HydrophobicContact CD-CE1 4.16Å; K207-F209 HydrophobicContact CD-CE2 4.28Å; K207-F209 HydrophobicContact CD-CZ 3.72Å; K207-F209 HydrophobicContact CG-CE1 4.45Å; K207-F209 HydrophobicContact CG-CE2 3.92Å; K207-F209 HydrophobicContact CG-CZ 3.88Å; K207-F209 VanDerWaalsContact O-CD2 3.31Å; K207-F209 WeakPolarHBondContact O-CD2 3.41Å; K207-F209 WeakPolarHBondContact O-CE2 3.19Å; K207-L219 CarbonylContact O-C 3.18Å; K207-G220 PolarHBondContact O-N 2.74Å
208A92.6Very high90.4Very high61 Ų6173.8 Ų73.850%0.50440%0.397SS..EExtended strand (participates in β ladder)trans-83.6137.517300000111.4
209F93Very high90.8Very high41 Ų4176 Ų7618%0.1840%0.401CS..EExtended strand (participates in β ladder)trans-130.8142.8177.6-63.4-88.4000110.6F204 K207 E217 K218 V232F204-F209 HydrophobicContact CD2-CE1 4.46Å; F204-F209 AromaticContact CD2-CE2 3.57Å; F204-F209 HydrophobicContact CD2-CE2 3.57Å; F204-F209 AromaticContact CD2-CZ 3.46Å; F204-F209 HydrophobicContact CD2-CZ 3.46Å; F204-F209 VanDerWaalsContact CD2-CZ 3.46Å; F204-F209 HydrophobicContact CE2-CD2 4.15Å; F204-F209 HydrophobicContact CE2-CE1 4.14Å; F204-F209 AromaticContact CE2-CE2 3.46Å; F204-F209 HydrophobicContact CE2-CE2 3.46Å; F204-F209 VanDerWaalsContact CE2-CE2 3.46Å; F204-F209 AromaticContact CE2-CZ 3.45Å; F204-F209 HydrophobicContact CE2-CZ 3.45Å; F204-F209 VanDerWaalsContact CE2-CZ 3.45Å; F204-F209 HydrophobicContact CG-CE2 4.23Å; F204-F209 HydrophobicContact CG-CZ 4.45Å; F204-F209 HydrophobicContact CZ-CD2 4.42Å; F204-F209 HydrophobicContact CZ-CE2 4.06Å; F204-F209 HydrophobicContact CZ-CZ 4.44Å; F204-F209 WeakPolarHBondContact O-CE2 3.48Å; K207-F209 HydrophobicContact CB-CE2 3.74Å; K207-F209 HydrophobicContact CB-CZ 4.03Å; K207-F209 HydrophobicContact CD-CE1 4.16Å; K207-F209 HydrophobicContact CD-CE2 4.28Å; K207-F209 HydrophobicContact CD-CZ 3.72Å; K207-F209 HydrophobicContact CG-CE1 4.45Å; K207-F209 HydrophobicContact CG-CE2 3.92Å; K207-F209 HydrophobicContact CG-CZ 3.88Å; K207-F209 VanDerWaalsContact O-CD2 3.31Å; K207-F209 WeakPolarHBondContact O-CD2 3.41Å; K207-F209 WeakPolarHBondContact O-CE2 3.19Å; F209-E217 WeakPolarHBondContact O-CA 3.43Å; F209-K218 PolarHBondContact N-O 2.88Å; F209-K218 PolarHBondContact O-N 2.96Å; F209-V232 HydrophobicContact CB-CB 4.4Å; F209-V232 HydrophobicContact CB-CG1 3.78Å; F209-V232 HydrophobicContact CD1-CB 4.12Å; F209-V232 HydrophobicContact CD1-CG1 4.05Å; F209-V232 HydrophobicContact CD1-CG2 3.9Å; F209-V232 HydrophobicContact CD2-CG1 4.26Å; F209-V232 HydrophobicContact CE1-CG2 4.04Å; F209-V232 HydrophobicContact CG-CB 4.33Å; F209-V232 HydrophobicContact CG-CG1 3.78Å; F209-V232 HydrophobicContact CG-CG2 4.46Å
210C92.8Very high90.9Very high74 Ų7474.2 Ų74.250%0.539%0.392SS..EExtended strand (participates in β ladder)trans-91.9123.8172.2-173.80000109.7E217C210-E217 HydrophobicContact CB-CG 4.49Å
211C94.3Very high91.2Very high1 Ų172.5 Ų72.51%0.00740%0.395CS..  trans-74.7126.6-179.5175.70000111.6I213 C214 F215 M216 C234C211-I213 PolarHBondContact O-N 3.07Å; C211-I213 VanDerWaalsContact O-N 3.08Å; C211-I213 PolarHBondContact SG-N 3.35Å; C211-C214 VanDerWaalsContact SG-SG 3.69Å; C211-F215 WeakPolarHBondContact O-CA 3.48Å; C211-F215 PolarHBondContact O-N 2.85Å; C211-M216 PolarHBondContact N-O 3.35Å; C211-C234 HydrophobicContact CB-CB 4.08Å; C211-C234 PolarHBondContact SG-N 2.82Å
212G86.5Confident91.4Very high41 Ų4169.6 Ų69.642%0.42339%0.39SS..THydrogen-bonded Turntrans-68.1-3.4178.300000116.6
213I92.1Very high91.7Very high71 Ų7165.1 Ų65.136%0.36437%0.371SS..THydrogen-bonded Turntrans-102.3-53.1178.7-62.5165.6000110.9C211 Y233 C237 M238 P257C211-I213 PolarHBondContact O-N 3.07Å; C211-I213 VanDerWaalsContact O-N 3.08Å; C211-I213 PolarHBondContact SG-N 3.35Å; I213-Y233 HydrophobicContact CD1-CD1 3.83Å; I213-Y233 HydrophobicContact CD1-CE1 4.42Å; I213-Y233 HydrophobicContact CD1-CG 4.36Å; I213-Y233 HydrophobicContact CG1-CD1 3.8Å; I213-Y233 HydrophobicContact CG1-CE1 4.12Å; I213-C237 HydrophobicContact CB-CB 3.98Å; I213-C237 HydrophobicContact CD1-CB 3.76Å; I213-C237 HydrophobicContact CG1-CB 4.48Å; I213-C237 HydrophobicContact CG2-CB 3.95Å; I213-M238 HydrophobicContact CD1-SD 4.31Å; I213-P257 HydrophobicContact CD1-CB 4.38Å; I213-P257 HydrophobicContact CD1-CG 4.11Å
214C94.3Very high91.9Very high36 Ų3661.8 Ų61.824%0.24335%0.35CS..THydrogen-bonded Turntrans-100.8-5.1-177.862.40000114.2C211 M216 C237C211-C214 VanDerWaalsContact SG-SG 3.69Å; C214-M216 HydrophobicContact CB-CE 3.78Å; C214-M216 PolarHBondContact O-N 3.09Å; C214-M216 VanDerWaalsContact SG-CE 3.58Å; C214-C237 VanDerWaalsContact SG-SG 3.66Å
215F92.3Very high91.9Very high156 Ų15661.5 Ų61.568%0.68435%0.352SS*.  trans55.722.9-179.2-53.1-77.8000114.6C211C211-F215 WeakPolarHBondContact O-CA 3.48Å; C211-F215 PolarHBondContact O-N 2.85Å
216M93.4Very high91.9Very high90 Ų9059.1 Ų59.144%0.44334%0.339SS..  trans-94.7141.5174.2-69-171.9-81.400110.9C211 C214C211-M216 PolarHBondContact N-O 3.35Å; C214-M216 HydrophobicContact CB-CE 3.78Å; C214-M216 PolarHBondContact O-N 3.09Å; C214-M216 VanDerWaalsContact SG-CE 3.58Å
217E94Very high91.5Very high156 Ų15662.4 Ų62.473%0.72934%0.339SS*.EExtended strand (participates in β ladder)trans-75.2132.1169.5-66-177.5170.800110.7F209 C210F209-E217 WeakPolarHBondContact O-CA 3.43Å; C210-E217 HydrophobicContact CB-CG 4.49Å
218K91.1Very high91.1Very high82 Ų8263.1 Ų63.136%0.35734%0.344SS..EExtended strand (participates in β ladder)trans-141.3147.7178.5-60.2-66174-1690109.2F209 C234F209-K218 PolarHBondContact N-O 2.88Å; F209-K218 PolarHBondContact O-N 2.96Å; K218-C234 HydrophobicContact CG-CB 3.96Å
219L94.4Very high91Very high97 Ų9761.6 Ų61.651%0.50833%0.33SS..EExtended strand (participates in β ladder)trans-65150.1169.2-65.2174.7000110K207 S221 G222 C223K207-L219 CarbonylContact O-C 3.18Å; L219-S221 PolarHBondContact O-N 3.26Å; L219-S221 VanDerWaalsContact O-N 3.12Å; L219-G222 WeakPolarHBondContact O-CA 3.43Å; L219-G222 PolarHBondContact O-N 2.92Å; L219-C223 PolarHBondContact O-SG 2.94Å
220G90.1Very high90.8Very high0 Ų066.2 Ų66.20%035%0.352CS..G310 helixtrans-55.3-30.8179.300000113.2F204 D205 K207 G222 C223F204-G220 WeakPolarHBondContact CE1-O 3.31Å; F204-G220 VanDerWaalsContact O-CA 3.31Å; F204-G220 WeakPolarHBondContact O-CA 3.32Å; D205-G220 PolarHBondContact O-N 3.28Å; K207-G220 PolarHBondContact O-N 2.74Å; G220-G222 PolarHBondContact O-N 2.83Å; G220-G222 VanDerWaalsContact O-N 3.14Å; G220-C223 WeakPolarHBondContact O-CA 3.49Å; G220-C223 WeakPolarHBondContact O-CB 3.49Å; G220-C223 PolarHBondContact O-N 3.14Å
221S91.3Very high90.7Very high59 Ų5965.5 Ų65.541%0.41334%0.341SS..G310 helixtrans-58.4-28.7174.155.40000113.1D205 L219 K235D205-S221 PolarHBondContact O-N 3.06Å; D205-S221 WeakPolarHBondContact OD1-CA 3.17Å; D205-S221 PolarHBondContact OD1-N 3.44Å; L219-S221 PolarHBondContact O-N 3.26Å; L219-S221 VanDerWaalsContact O-N 3.12Å; S221-K235 WeakPolarHBondContact O-CE 3.5Å; S221-K235 PolarHBondContact O-NZ 2.88Å
222G91.6Very high90.7Very high30 Ų3066.6 Ų66.631%0.30935%0.348SS..G310 helixtrans-94.47174.100000114.4L219 G220 K235L219-G222 WeakPolarHBondContact O-CA 3.43Å; L219-G222 PolarHBondContact O-N 2.92Å; G220-G222 PolarHBondContact O-N 2.83Å; G220-G222 VanDerWaalsContact O-N 3.14Å; G222-K235 WeakPolarHBondContact O-CG 3.39Å; G222-K235 PolarHBondContact O-N 3.04Å
223C93.4Very high91Very high6 Ų664.9 Ų64.94%0.04133%0.329CS..EExtended strand (participates in β ladder)trans-118.8161.8-175.8-66.50000112.8F204 L219 G220 V232 Y233 K235F204-C223 HydrophobicContact CE1-CB 4.4Å; F204-C223 HydrophobicContact CZ-CB 4.14Å; L219-C223 PolarHBondContact O-SG 2.94Å; G220-C223 WeakPolarHBondContact O-CA 3.49Å; G220-C223 WeakPolarHBondContact O-CB 3.49Å; G220-C223 PolarHBondContact O-N 3.14Å; C223-V232 HydrophobicContact CB-CG1 3.59Å; C223-Y233 CarbonylContact C-O 3.57Å; C223-Y233 VanDerWaalsContact CA-O 3.28Å; C223-Y233 WeakPolarHBondContact CA-O 3.28Å; C223-Y233 WeakPolarHBondContact CB-O 3.47Å; C223-K235 WeakPolarHBondContact O-CE 3.13Å
224L91.4Very high91.2Very high11 Ų1161.6 Ų61.66%0.05831%0.312CS..EExtended strand (participates in β ladder)trans-115.9128.9171.3-179.477.9000107.5F226 V232 Y233 M238 F242 Q269 L273L224-F226 HydrophobicContact CD2-CE2 4.18Å; L224-F226 HydrophobicContact CD2-CZ 4.42Å; L224-V232 WeakPolarHBondContact O-CA 3.39Å; L224-Y233 PolarHBondContact N-O 3.34Å; L224-Y233 PolarHBondContact O-N 3.43Å; L224-M238 HydrophobicContact CB-CG 4.28Å; L224-M238 HydrophobicContact CD2-CB 4.2Å; L224-M238 HydrophobicContact CD2-CE 4.09Å; L224-M238 HydrophobicContact CD2-CG 3.91Å; L224-F242 HydrophobicContact CD2-CE2 4.41Å; L224-F242 HydrophobicContact CD2-CZ 4.28Å; L224-Q269 HydrophobicContact CD1-CB 3.99Å; L224-Q269 HydrophobicContact CD1-CG 3.82Å; L224-L273 HydrophobicContact CB-CD1 4.48Å; L224-L273 HydrophobicContact CD1-CD1 4.29Å; L224-L273 HydrophobicContact CD2-CD1 3.84Å; L224-L273 HydrophobicContact CG-CD1 4.42Å
225C90.9Very high91.2Very high25 Ų2563.2 Ų63.217%0.16931%0.314CS..EExtended strand (participates in β ladder)trans-107.7132.1170.8-1750000110.4F204 Q230 H231 V232 Q269F204-C225 HydrophobicContact CE2-CB 3.79Å; F204-C225 HydrophobicContact CZ-CB 3.74Å; C225-Q230 PolarHBondContact SG-OE1 3.28Å; C225-H231 WeakPolarHBondContact CA-O 3.31Å; C225-V232 HydrophobicContact CB-CG2 4.17Å; C225-Q269 PolarHBondContact O-NE2 2.92Å
226F88.9Confident91.3Very high2 Ų259.8 Ų59.81%0.00931%0.306CS..  trans-80.9113.2170.7-76.3-96.6000109.9L224 E228 C229 Q230 H231 Y233 M238 C256 A265L224-F226 HydrophobicContact CD2-CE2 4.18Å; L224-F226 HydrophobicContact CD2-CZ 4.42Å; F226-E228 PolarHBondContact O-N 3.12Å; F226-E228 VanDerWaalsContact O-N 3.15Å; F226-C229 WeakPolarHBondContact CB-SG 3.46Å; F226-C229 PolarHBondContact O-N 2.65Å; F226-Q230 VanDerWaalsContact O-CA 3.29Å; F226-Q230 WeakPolarHBondContact O-CA 3.5Å; F226-Q230 PolarHBondContact O-N 3.5Å; F226-H231 PolarHBondContact N-O 2.85Å; F226-Y233 HydrophobicContact CD2-CD2 4.2Å; F226-Y233 HydrophobicContact CD2-CE2 4.28Å; F226-Y233 AromaticContact CE2-CD2 3.93Å; F226-Y233 HydrophobicContact CE2-CD2 3.93Å; F226-Y233 HydrophobicContact CE2-CE2 4.13Å; F226-M238 HydrophobicContact CE2-CE 3.9Å; F226-M238 HydrophobicContact CE2-SD 4.28Å; F226-M238 HydrophobicContact CZ-CE 3.72Å; F226-C256 HydrophobicContact CD1-CB 4.3Å; F226-C256 HydrophobicContact CD2-CB 4.45Å; F226-C256 HydrophobicContact CE1-CB 4.28Å; F226-C256 HydrophobicContact CE2-CB 4.45Å; F226-C256 HydrophobicContact CG-CB 4.38Å; F226-C256 HydrophobicContact CZ-CB 4.36Å; F226-A265 HydrophobicContact CE1-CB 3.86Å; F226-A265 HydrophobicContact CZ-CB 4.43Å
227K81.2Confident91.4Very high145 Ų14556.1 Ų56.163%0.6329%0.29SS*.THydrogen-bonded Turntrans-59.2-31.2-174.4-66.5-168.8172.8-169.40113.6E197E197-K227 IonicContact OE1-NZ 3.81Å; E197-K227 PolarHBondContact OE1-NZ 3.42Å
228E84.5Confident91.4Very high141 Ų14148.7 Ų48.766%0.65926%0.255SS*.THydrogen-bonded Turntrans-76.4-35.3-178.2-65.5-179.6170.700114F226 S263 L264F226-E228 PolarHBondContact O-N 3.12Å; F226-E228 VanDerWaalsContact O-N 3.15Å; E228-S263 WeakPolarHBondContact CB-OG 3.28Å; E228-S263 VanDerWaalsContact OE2-CA 3.29Å; E228-S263 WeakPolarHBondContact OE2-CA 3.27Å; E228-S263 WeakPolarHBondContact OE2-CB 3.48Å; E228-S263 PolarHBondContact OE2-OG 2.98Å; E228-L264 PolarHBondContact OE2-N 3.05Å
229C89.5Confident91.5Very high30 Ų3046.2 Ų46.220%0.20325%0.247CC..THydrogen-bonded Turntrans-120-4-174.760.60000114.7F226 H231 S263F226-C229 WeakPolarHBondContact CB-SG 3.46Å; F226-C229 PolarHBondContact O-N 2.65Å; C229-H231 WeakPolarHBondContact CB-ND1 3.39Å; C229-H231 PolarHBondContact O-N 3.21Å; C229-H231 VanDerWaalsContact O-N 3.1Å; C229-H231 PolarHBondContact SG-ND1 2.89Å; C229-S263 VanDerWaalsContact CB-OG 3.31Å; C229-S263 WeakPolarHBondContact CB-OG 3.25Å; C229-S263 VanDerWaalsContact SG-CB 3.6Å
230Q88.3Confident91.4Very high137 Ų13747.2 Ų47.264%0.6425%0.249SC*.  trans59.914.2180-57.5-68.9-11.300115.2C225 F226C225-Q230 PolarHBondContact SG-OE1 3.28Å; F226-Q230 VanDerWaalsContact O-CA 3.29Å; F226-Q230 WeakPolarHBondContact O-CA 3.5Å; F226-Q230 PolarHBondContact O-N 3.5Å
231H91.4Very high91.6Very high60 Ų6049.7 Ų49.728%0.27826%0.259SS..  trans-73.7138.4173.9-63.8117.9000111.2C225 F226 C229 Y233 C256C225-H231 WeakPolarHBondContact CA-O 3.31Å; F226-H231 PolarHBondContact N-O 2.85Å; C229-H231 WeakPolarHBondContact CB-ND1 3.39Å; C229-H231 PolarHBondContact O-N 3.21Å; C229-H231 VanDerWaalsContact O-N 3.1Å; C229-H231 PolarHBondContact SG-ND1 2.89Å; H231-Y233 HydrophobicContact CB-CE2 3.73Å; H231-C256 PolarHBondContact ND1-SG 3.35Å; H231-C256 VanDerWaalsContact ND1-SG 3.44Å
232V93.1Very high91.6Very high23 Ų2346.9 Ų46.914%0.13924%0.239CC..EExtended strand (participates in β ladder)trans-118.7129.8-173.5-174.60000110.9F204 F209 C223 L224 C225F204-V232 HydrophobicContact CE2-CG1 4.25Å; F204-V232 HydrophobicContact CE2-CG2 3.95Å; F204-V232 HydrophobicContact CZ-CG1 3.97Å; F204-V232 HydrophobicContact CZ-CG2 4.38Å; F209-V232 HydrophobicContact CB-CB 4.4Å; F209-V232 HydrophobicContact CB-CG1 3.78Å; F209-V232 HydrophobicContact CD1-CB 4.12Å; F209-V232 HydrophobicContact CD1-CG1 4.05Å; F209-V232 HydrophobicContact CD1-CG2 3.9Å; F209-V232 HydrophobicContact CD2-CG1 4.26Å; F209-V232 HydrophobicContact CE1-CG2 4.04Å; F209-V232 HydrophobicContact CG-CB 4.33Å; F209-V232 HydrophobicContact CG-CG1 3.78Å; F209-V232 HydrophobicContact CG-CG2 4.46Å; C223-V232 HydrophobicContact CB-CG1 3.59Å; L224-V232 WeakPolarHBondContact O-CA 3.39Å; C225-V232 HydrophobicContact CB-CG2 4.17Å
233Y94.8Very high91.6Very high6 Ų648.4 Ų48.42%0.02424%0.238CC..EExtended strand (participates in β ladder)trans-134.9150.9176.9-58-83.6000110.4I213 C223 L224 F226 H231 M238 P257 E258I213-Y233 HydrophobicContact CD1-CD1 3.83Å; I213-Y233 HydrophobicContact CD1-CE1 4.42Å; I213-Y233 HydrophobicContact CD1-CG 4.36Å; I213-Y233 HydrophobicContact CG1-CD1 3.8Å; I213-Y233 HydrophobicContact CG1-CE1 4.12Å; C223-Y233 CarbonylContact C-O 3.57Å; C223-Y233 VanDerWaalsContact CA-O 3.28Å; C223-Y233 WeakPolarHBondContact CA-O 3.28Å; C223-Y233 WeakPolarHBondContact CB-O 3.47Å; L224-Y233 PolarHBondContact N-O 3.34Å; L224-Y233 PolarHBondContact O-N 3.43Å; F226-Y233 HydrophobicContact CD2-CD2 4.2Å; F226-Y233 HydrophobicContact CD2-CE2 4.28Å; F226-Y233 AromaticContact CE2-CD2 3.93Å; F226-Y233 HydrophobicContact CE2-CD2 3.93Å; F226-Y233 HydrophobicContact CE2-CE2 4.13Å; H231-Y233 HydrophobicContact CB-CE2 3.73Å; Y233-M238 HydrophobicContact CD2-SD 3.97Å; Y233-M238 HydrophobicContact CG-CG 4.41Å; Y233-M238 HydrophobicContact CG-SD 3.89Å; Y233-P257 HydrophobicContact CE1-CB 4.26Å; Y233-P257 HydrophobicContact CE1-CG 4.45Å; Y233-P257 HydrophobicContact CE2-CG 4.26Å; Y233-E258 WeakPolarHBondContact OH-CB 3.45Å; Y233-E258 PolarHBondContact OH-N 3.12Å; Y233-E258 VanDerWaalsContact OH-N 3.13Å; Y233-E258 PolarHBondContact OH-OE2 3.29Å
234C94.9Very high91.4Very high1 Ų152.6 Ų52.61%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-68146.8176.468.70000110.9C211 K218 T236 C237 M238C211-C234 HydrophobicContact CB-CB 4.08Å; C211-C234 PolarHBondContact SG-N 2.82Å; K218-C234 HydrophobicContact CG-CB 3.96Å; C234-T236 PolarHBondContact O-N 3.45Å; C234-T236 PolarHBondContact SG-OG1 3.05Å; C234-C237 PolarHBondContact O-N 2.82Å; C234-C237 VanDerWaalsContact SG-CB 3.59Å; C234-C237 PolarHBondContact SG-SG 3.39Å; C234-M238 PolarHBondContact O-N 3.18Å; C234-M238 VanDerWaalsContact O-N 3.12Å
235K94.4Very high91.3Very high70 Ų7053.9 Ų53.930%0.30426%0.264SS..Hα-helixtrans-58.4-33.5-178.4-70.8179.9177.1170.40112.2S221 G222 C223 T239 L273S221-K235 WeakPolarHBondContact O-CE 3.5Å; S221-K235 PolarHBondContact O-NZ 2.88Å; G222-K235 WeakPolarHBondContact O-CG 3.39Å; G222-K235 PolarHBondContact O-N 3.04Å; C223-K235 WeakPolarHBondContact O-CE 3.13Å; K235-T239 VanDerWaalsContact O-CB 3.28Å; K235-T239 WeakPolarHBondContact O-CB 3.46Å; K235-T239 PolarHBondContact O-N 3.47Å; K235-T239 PolarHBondContact O-OG1 3.03Å; K235-L273 HydrophobicContact CB-CD2 3.76Å; K235-L273 HydrophobicContact CD-CD2 4.17Å; K235-L273 HydrophobicContact CG-CD2 3.76Å
236T94.5Very high91.2Very high84 Ų8452.7 Ų52.752%0.51526%0.256SS..Hα-helixtrans-63.7-51.7178.953.60000111.9C234 M238 T239 E240C234-T236 PolarHBondContact O-N 3.45Å; C234-T236 PolarHBondContact SG-OG1 3.05Å; T236-M238 VanDerWaalsContact C-N 3.35Å; T236-M238 PolarHBondContact O-N 3.46Å; T236-T239 WeakPolarHBondContact O-CB 3.28Å; T236-T239 PolarHBondContact O-N 2.89Å; T236-E240 PolarHBondContact O-N 2.85Å; T236-E240 VanDerWaalsContact O-N 3.12Å
237C95.1Very high91.1Very high14 Ų1460.4 Ų60.410%0.09529%0.285CS..Hα-helixtrans-65.6-39.2179.3-70.40000111.8I213 C214 C234 T239 E240 Y241I213-C237 HydrophobicContact CB-CB 3.98Å; I213-C237 HydrophobicContact CD1-CB 3.76Å; I213-C237 HydrophobicContact CG1-CB 4.48Å; I213-C237 HydrophobicContact CG2-CB 3.95Å; C214-C237 VanDerWaalsContact SG-SG 3.66Å; C234-C237 PolarHBondContact O-N 2.82Å; C234-C237 VanDerWaalsContact SG-CB 3.59Å; C234-C237 PolarHBondContact SG-SG 3.39Å; C237-T239 VanDerWaalsContact C-N 3.33Å; C237-T239 PolarHBondContact O-N 3.02Å; C237-E240 PolarHBondContact O-N 3.34Å; C237-Y241 WeakPolarHBondContact O-CB 3.21Å; C237-Y241 PolarHBondContact O-N 2.85Å
238M93.8Very high91.4Very high0 Ų058.5 Ų58.50%028%0.282CS..Hα-helixtrans-66.7-36.3176.9-71.2-53.8-5100112.6I213 L224 F226 Y233 C234 T236 Y241 F242 P257 L273I213-M238 HydrophobicContact CD1-SD 4.31Å; L224-M238 HydrophobicContact CB-CG 4.28Å; L224-M238 HydrophobicContact CD2-CB 4.2Å; L224-M238 HydrophobicContact CD2-CE 4.09Å; L224-M238 HydrophobicContact CD2-CG 3.91Å; F226-M238 HydrophobicContact CE2-CE 3.9Å; F226-M238 HydrophobicContact CE2-SD 4.28Å; F226-M238 HydrophobicContact CZ-CE 3.72Å; Y233-M238 HydrophobicContact CD2-SD 3.97Å; Y233-M238 HydrophobicContact CG-CG 4.41Å; Y233-M238 HydrophobicContact CG-SD 3.89Å; C234-M238 PolarHBondContact O-N 3.18Å; C234-M238 VanDerWaalsContact O-N 3.12Å; T236-M238 VanDerWaalsContact C-N 3.35Å; T236-M238 PolarHBondContact O-N 3.46Å; M238-Y241 HydrophobicContact CE-CD1 3.79Å; M238-Y241 HydrophobicContact CE-CE1 4.4Å; M238-Y241 PolarHBondContact O-N 2.93Å; M238-F242 HydrophobicContact CE-CD1 4.04Å; M238-F242 HydrophobicContact CE-CE1 3.28Å; M238-F242 HydrophobicContact CE-CE2 4.19Å; M238-F242 HydrophobicContact CE-CZ 3.36Å; M238-F242 WeakPolarHBondContact O-CB 3.39Å; M238-F242 VanDerWaalsContact O-CG 3.27Å; M238-F242 WeakPolarHBondContact O-CG 3.47Å; M238-F242 PolarHBondContact O-N 2.84Å; M238-P257 HydrophobicContact CE-CG 4.39Å; M238-P257 HydrophobicContact SD-CG 3.93Å; M238-L273 HydrophobicContact CB-CD1 3.61Å
239T94.4Very high91.2Very high29 Ų2953.3 Ų53.318%0.17827%0.267CS..Hα-helixtrans-60.5-51.9174.5-61.20000110.2K235 T236 C237 Y241 F242 Q243 L273K235-T239 VanDerWaalsContact O-CB 3.28Å; K235-T239 WeakPolarHBondContact O-CB 3.46Å; K235-T239 PolarHBondContact O-N 3.47Å; K235-T239 PolarHBondContact O-OG1 3.03Å; T236-T239 WeakPolarHBondContact O-CB 3.28Å; T236-T239 PolarHBondContact O-N 2.89Å; C237-T239 VanDerWaalsContact C-N 3.33Å; C237-T239 PolarHBondContact O-N 3.02Å; T239-Y241 VanDerWaalsContact C-N 3.35Å; T239-Y241 PolarHBondContact O-N 2.74Å; T239-F242 PolarHBondContact O-N 2.79Å; T239-Q243 HydrophobicContact CG2-CG 4.33Å; T239-Q243 VanDerWaalsContact CG2-NE2 3.33Å; T239-Q243 WeakPolarHBondContact O-CB 3.3Å; T239-Q243 WeakPolarHBondContact O-CG 3.4Å; T239-Q243 PolarHBondContact O-N 3.36Å; T239-L273 WeakPolarHBondContact CG2-O 3.27Å
240E92.9Very high90.7Very high119 Ų11955.8 Ų55.856%0.55628%0.278SS*.Hα-helixtrans-59.7-44.8178-71.1175-17000112T236 C237 F242 Q243 I244T236-E240 PolarHBondContact O-N 2.85Å; T236-E240 VanDerWaalsContact O-N 3.12Å; C237-E240 PolarHBondContact O-N 3.34Å; E240-F242 PolarHBondContact O-N 2.93Å; E240-Q243 PolarHBondContact O-N 3.38Å; E240-I244 VanDerWaalsContact O-CG1 3.3Å; E240-I244 WeakPolarHBondContact O-CG1 3.36Å; E240-I244 PolarHBondContact O-N 3.12Å
241Y92.5Very high90Very high52 Ų5249.6 Ų49.620%0.20425%0.249CC..Hα-helixtrans-57.3-50.8176.7174.1-108000112C237 M238 T239 Q243 I244 Q245 C253 N255 P257C237-Y241 WeakPolarHBondContact O-CB 3.21Å; C237-Y241 PolarHBondContact O-N 2.85Å; M238-Y241 HydrophobicContact CE-CD1 3.79Å; M238-Y241 HydrophobicContact CE-CE1 4.4Å; M238-Y241 PolarHBondContact O-N 2.93Å; T239-Y241 VanDerWaalsContact C-N 3.35Å; T239-Y241 PolarHBondContact O-N 2.74Å; Y241-Q243 PolarHBondContact O-N 2.85Å; Y241-I244 PolarHBondContact O-N 3.35Å; Y241-Q245 HydrophobicContact CD2-CG 4.36Å; Y241-Q245 HydrophobicContact CE1-CG 4.39Å; Y241-Q245 HydrophobicContact CE2-CG 3.95Å; Y241-Q245 WeakPolarHBondContact O-CG 3.08Å; Y241-Q245 PolarHBondContact O-N 2.87Å; Y241-Q245 VanDerWaalsContact O-N 3.08Å; Y241-C253 PolarHBondContact OH-O 2.92Å; Y241-N255 WeakPolarHBondContact CE1-O 3.38Å; Y241-N255 PolarHBondContact OH-O 3.22Å; Y241-P257 HydrophobicContact CD1-CG 4.44Å; Y241-P257 HydrophobicContact CE1-CG 4.4Å
242F92.4Very high88.9Confident0 Ų052.1 Ų52.10%026%0.261CS..Hα-helixtrans-63.7-40.4178-67.8-15.1000112.3L224 M238 T239 E240 I244 Q245 I246 L254 A265 V270 L273 V274L224-F242 HydrophobicContact CD2-CE2 4.41Å; L224-F242 HydrophobicContact CD2-CZ 4.28Å; M238-F242 HydrophobicContact CE-CD1 4.04Å; M238-F242 HydrophobicContact CE-CE1 3.28Å; M238-F242 HydrophobicContact CE-CE2 4.19Å; M238-F242 HydrophobicContact CE-CZ 3.36Å; M238-F242 WeakPolarHBondContact O-CB 3.39Å; M238-F242 VanDerWaalsContact O-CG 3.27Å; M238-F242 WeakPolarHBondContact O-CG 3.47Å; M238-F242 PolarHBondContact O-N 2.84Å; T239-F242 PolarHBondContact O-N 2.79Å; E240-F242 PolarHBondContact O-N 2.93Å; F242-I244 VanDerWaalsContact C-N 3.33Å; F242-I244 PolarHBondContact O-N 2.98Å; F242-Q245 PolarHBondContact O-N 3.04Å; F242-I246 HydrophobicContact CB-CD1 4.42Å; F242-I246 WeakPolarHBondContact O-CB 3.18Å; F242-I246 WeakPolarHBondContact O-CD1 3.46Å; F242-I246 WeakPolarHBondContact O-CG1 3.31Å; F242-I246 PolarHBondContact O-N 2.87Å; F242-L254 HydrophobicContact CD1-CB 4.46Å; F242-L254 HydrophobicContact CD1-CD1 4.45Å; F242-L254 HydrophobicContact CD1-CD2 3.81Å; F242-L254 HydrophobicContact CD1-CG 4.48Å; F242-L254 HydrophobicContact CE1-CB 4.27Å; F242-L254 HydrophobicContact CE1-CD2 4.43Å; F242-L254 HydrophobicContact CG-CD2 4.47Å; F242-A265 HydrophobicContact CE1-CB 4Å; F242-A265 HydrophobicContact CE2-CB 4.38Å; F242-A265 HydrophobicContact CZ-CB 3.52Å; F242-V270 HydrophobicContact CD2-CG1 4.47Å; F242-V270 HydrophobicContact CD2-CG2 4.38Å; F242-V270 HydrophobicContact CE2-CG2 4.12Å; F242-V270 HydrophobicContact CZ-CG2 4.45Å; F242-L273 HydrophobicContact CD2-CB 4.25Å; F242-L273 HydrophobicContact CD2-CD1 4.1Å; F242-L273 HydrophobicContact CE2-CD1 3.78Å; F242-V274 HydrophobicContact CB-CG1 3.72Å; F242-V274 HydrophobicContact CD2-CG1 4.32Å
243Q91.7Very high87.7Confident62 Ų6253.9 Ų53.929%0.2927%0.274SS..Hα-helixtrans-60.4-42.8177.6-72.7-177.97.100112.2T239 E240 Y241 R247 L278T239-Q243 HydrophobicContact CG2-CG 4.33Å; T239-Q243 VanDerWaalsContact CG2-NE2 3.33Å; T239-Q243 WeakPolarHBondContact O-CB 3.3Å; T239-Q243 WeakPolarHBondContact O-CG 3.4Å; T239-Q243 PolarHBondContact O-N 3.36Å; E240-Q243 PolarHBondContact O-N 3.38Å; Y241-Q243 PolarHBondContact O-N 2.85Å; Q243-R247 VanDerWaalsContact O-CB 3.25Å; Q243-R247 WeakPolarHBondContact O-CB 3.44Å; Q243-R247 PolarHBondContact O-N 3.14Å; Q243-L278 HydrophobicContact CB-CD1 4.35Å; Q243-L278 HydrophobicContact CG-CD1 3.65Å
244I89.5Confident87.2Confident94 Ų9453.8 Ų53.848%0.48227%0.274SS..Hα-helixtrans-64.1-51.8177.5-67.4164.8000109.9E240 Y241 F242 I246 R247 D248E240-I244 VanDerWaalsContact O-CG1 3.3Å; E240-I244 WeakPolarHBondContact O-CG1 3.36Å; E240-I244 PolarHBondContact O-N 3.12Å; Y241-I244 PolarHBondContact O-N 3.35Å; F242-I244 VanDerWaalsContact C-N 3.33Å; F242-I244 PolarHBondContact O-N 2.98Å; I244-I246 PolarHBondContact O-N 3.42Å; I244-R247 WeakPolarHBondContact O-CB 3.42Å; I244-R247 PolarHBondContact O-N 2.93Å; I244-R247 VanDerWaalsContact O-N 3.12Å; I244-D248 PolarHBondContact O-N 3.35Å
245Q89.1Confident86.9Confident37 Ų3756.2 Ų56.217%0.17329%0.287CS..Hα-helixtrans-60.7-41.6-178.4-66.6-58.2-31.200113Y241 F242 R247 D248 G249 N250 L254Y241-Q245 HydrophobicContact CD2-CG 4.36Å; Y241-Q245 HydrophobicContact CE1-CG 4.39Å; Y241-Q245 HydrophobicContact CE2-CG 3.95Å; Y241-Q245 WeakPolarHBondContact O-CG 3.08Å; Y241-Q245 PolarHBondContact O-N 2.87Å; Y241-Q245 VanDerWaalsContact O-N 3.08Å; F242-Q245 PolarHBondContact O-N 3.04Å; Q245-R247 VanDerWaalsContact C-N 3.34Å; Q245-D248 PolarHBondContact O-N 3.45Å; Q245-G249 PolarHBondContact O-N 3.48Å; Q245-G249 VanDerWaalsContact O-N 3.1Å; Q245-N250 PolarHBondContact O-N 3.4Å; Q245-N250 VanDerWaalsContact OE1-CB 3.23Å; Q245-N250 PolarHBondContact OE1-ND2 2.92Å; Q245-L254 HydrophobicContact CB-CD2 3.44Å; Q245-L254 VanDerWaalsContact CB-CD2 3.44Å; Q245-L254 HydrophobicContact CG-CD2 4.02Å
246I89.3Confident86.7Confident0 Ų053.1 Ų53.10%027%0.274CS..Hα-helixtrans-68.2-35.2177.8-65163.6000111.2F242 I244 G249 V251 L254 V270 V274 R281 Y282F242-I246 HydrophobicContact CB-CD1 4.42Å; F242-I246 WeakPolarHBondContact O-CB 3.18Å; F242-I246 WeakPolarHBondContact O-CD1 3.46Å; F242-I246 WeakPolarHBondContact O-CG1 3.31Å; F242-I246 PolarHBondContact O-N 2.87Å; I244-I246 PolarHBondContact O-N 3.42Å; I246-G249 PolarHBondContact O-N 3.4Å; I246-V251 HydrophobicContact CG1-CG1 4.49Å; I246-L254 HydrophobicContact CG1-CD1 4.47Å; I246-V270 HydrophobicContact CD1-CG1 4.14Å; I246-V274 HydrophobicContact CD1-CG1 4.07Å; I246-V274 HydrophobicContact CD1-CG2 4.31Å; I246-R281 HydrophobicContact CG2-CB 4.35Å; I246-R281 HydrophobicContact CG2-CG 4.08Å; I246-R281 PolarHBondContact O-NE 3.12Å; I246-Y282 HydrophobicContact CD1-CD2 4.45Å; I246-Y282 HydrophobicContact CD1-CG 4.39Å; I246-Y282 HydrophobicContact CG1-CD2 4.21Å
247R86.6Confident86.5Confident164 Ų16451.1 Ų51.162%0.61926%0.263SS*.Hα-helixtrans-67.4-42.2176.8-170.8177.8-62-177.32.9111.2Q243 I244 Q245 G249 R281Q243-R247 VanDerWaalsContact O-CB 3.25Å; Q243-R247 WeakPolarHBondContact O-CB 3.44Å; Q243-R247 PolarHBondContact O-N 3.14Å; I244-R247 WeakPolarHBondContact O-CB 3.42Å; I244-R247 PolarHBondContact O-N 2.93Å; I244-R247 VanDerWaalsContact O-N 3.12Å; Q245-R247 VanDerWaalsContact C-N 3.34Å; R247-G249 PolarHBondContact O-N 2.93Å; R247-R281 PolarHBondContact O-NH2 2.79Å
248D86.8Confident86.3Confident105 Ų10554.2 Ų54.256%0.56128%0.276SS*.Hα-helixtrans-75.1-9.7179.1-66.5-11000113.1I244 Q245I244-D248 PolarHBondContact O-N 3.35Å; Q245-D248 PolarHBondContact O-N 3.45Å
249G81.1Confident85.8Confident32 Ų3259 Ų5933%0.3331%0.307SS..THydrogen-bonded Turntrans87.74.4177.600000114.5Q245 I246 R247 V251Q245-G249 PolarHBondContact O-N 3.48Å; Q245-G249 VanDerWaalsContact O-N 3.1Å; I246-G249 PolarHBondContact O-N 3.4Å; R247-G249 PolarHBondContact O-N 2.93Å; G249-V251 PolarHBondContact O-N 2.88Å
250N78.6Confident85.4Confident82 Ų8267.9 Ų67.944%0.43934%0.343SS..  trans-84.155-177.5-70.2-23.4000112.4Q245 Q252 C253Q245-N250 PolarHBondContact O-N 3.4Å; Q245-N250 VanDerWaalsContact OE1-CB 3.23Å; Q245-N250 PolarHBondContact OE1-ND2 2.92Å; N250-Q252 VanDerWaalsContact C-N 3.35Å; N250-Q252 PolarHBondContact O-N 2.97Å; N250-C253 PolarHBondContact O-N 3.22Å
251V73.4Confident85.2Confident7 Ų763.4 Ų63.44%0.04232%0.324CS..G310 helixtrans-75.8-20.1-174.7-62.80000114.7I246 G249 C253 Y282 L285I246-V251 HydrophobicContact CG1-CG1 4.49Å; G249-V251 PolarHBondContact O-N 2.88Å; V251-C253 PolarHBondContact O-N 3.45Å; V251-Y282 HydrophobicContact CB-CD2 3.81Å; V251-Y282 HydrophobicContact CB-CE2 4.04Å; V251-Y282 HydrophobicContact CG1-CD2 3.81Å; V251-L285 HydrophobicContact CB-CB 4.14Å; V251-L285 HydrophobicContact CG1-CB 3.62Å; V251-L285 HydrophobicContact CG1-CD1 3.63Å; V251-L285 HydrophobicContact CG1-CG 4.29Å; V251-L285 HydrophobicContact CG2-CB 3.53Å
252Q68.1Low84.9Confident114 Ų11466.8 Ų66.853%0.53335%0.35SS..G310 helixtrans-71.6-13.2172.9-72-160.346.500112.7N250 S289N250-Q252 VanDerWaalsContact C-N 3.35Å; N250-Q252 PolarHBondContact O-N 2.97Å; Q252-S289 WeakPolarHBondContact CG-OG 3.43Å; Q252-S289 PolarHBondContact NE2-OG 2.95Å
253C68.3Low84.8Confident60 Ų6067.4 Ų67.441%0.40536%0.355SS..G310 helixtrans-121.137.2-169.1-60.20000112.9Y241 N250 V251 N255Y241-C253 PolarHBondContact OH-O 2.92Å; N250-C253 PolarHBondContact O-N 3.22Å; V251-C253 PolarHBondContact O-N 3.45Å; C253-N255 WeakPolarHBondContact CA-OD1 3.17Å; C253-N255 PolarHBondContact O-N 3.45Å; C253-N255 PolarHBondContact O-OD1 2.94Å; C253-N255 VanDerWaalsContact O-OD1 3.08Å
254L83.8Confident84.6Confident4 Ų468.8 Ų68.82%0.02136%0.364CS..  trans-7766.8169.1-64.5-174.5000110.1F242 Q245 I246 A265 V270 Y282F242-L254 HydrophobicContact CD1-CB 4.46Å; F242-L254 HydrophobicContact CD1-CD1 4.45Å; F242-L254 HydrophobicContact CD1-CD2 3.81Å; F242-L254 HydrophobicContact CD1-CG 4.48Å; F242-L254 HydrophobicContact CE1-CB 4.27Å; F242-L254 HydrophobicContact CE1-CD2 4.43Å; F242-L254 HydrophobicContact CG-CD2 4.47Å; Q245-L254 HydrophobicContact CB-CD2 3.44Å; Q245-L254 VanDerWaalsContact CB-CD2 3.44Å; Q245-L254 HydrophobicContact CG-CD2 4.02Å; I246-L254 HydrophobicContact CG1-CD1 4.47Å; L254-A265 HydrophobicContact CB-CB 4.25Å; L254-A265 WeakPolarHBondContact O-CB 3.48Å; L254-A265 PolarHBondContact O-N 3.12Å; L254-V270 HydrophobicContact CD1-CB 4.49Å; L254-V270 HydrophobicContact CD1-CG1 4Å; L254-V270 HydrophobicContact CD1-CG2 3.6Å; L254-Y282 HydrophobicContact CD1-CD2 3.69Å; L254-Y282 HydrophobicContact CD1-CE2 3.36Å; L254-Y282 HydrophobicContact CG-CE2 4.23Å
255N88.3Confident84.6Confident51 Ų5164.7 Ų64.727%0.27334%0.344SS..BIsolated β-bridgetrans-85.1163.2-173.2-46.9-3.6000110.4Y241 C253 P257 S263Y241-N255 WeakPolarHBondContact CE1-O 3.38Å; Y241-N255 PolarHBondContact OH-O 3.22Å; C253-N255 WeakPolarHBondContact CA-OD1 3.17Å; C253-N255 PolarHBondContact O-N 3.45Å; C253-N255 PolarHBondContact O-OD1 2.94Å; C253-N255 VanDerWaalsContact O-OD1 3.08Å; N255-P257 WeakPolarHBondContact O-CD 3.36Å; N255-S263 CarbonylContact C-O 3.57Å; N255-S263 WeakPolarHBondContact CA-O 3.38Å
256C91.1Very high84.5Confident5 Ų565.8 Ų65.83%0.03435%0.353CS..  trans-54.9128.2157-179.60000110.1F226 H231 E258 C261 S263F226-C256 HydrophobicContact CD1-CB 4.3Å; F226-C256 HydrophobicContact CD2-CB 4.45Å; F226-C256 HydrophobicContact CE1-CB 4.28Å; F226-C256 HydrophobicContact CE2-CB 4.45Å; F226-C256 HydrophobicContact CG-CB 4.38Å; F226-C256 HydrophobicContact CZ-CB 4.36Å; H231-C256 PolarHBondContact ND1-SG 3.35Å; H231-C256 VanDerWaalsContact ND1-SG 3.44Å; C256-E258 PolarHBondContact O-N 3.41Å; C256-E258 VanDerWaalsContact O-N 3.17Å; C256-E258 VanDerWaalsContact SG-CB 3.58Å; C256-C261 HydrophobicContact CB-CB 4.04Å; C256-C261 VanDerWaalsContact CB-SG 3.53Å; C256-S263 PolarHBondContact N-O 3.04Å
257P90Very high84.4Confident43 Ų4369 Ų6928%0.27937%0.374SS..SBendtrans-62.5-16.2177.2-26.135.5000115.1I213 Y233 M238 Y241 N255I213-P257 HydrophobicContact CD1-CB 4.38Å; I213-P257 HydrophobicContact CD1-CG 4.11Å; Y233-P257 HydrophobicContact CE1-CB 4.26Å; Y233-P257 HydrophobicContact CE1-CG 4.45Å; Y233-P257 HydrophobicContact CE2-CG 4.26Å; M238-P257 HydrophobicContact CE-CG 4.39Å; M238-P257 HydrophobicContact SD-CG 3.93Å; Y241-P257 HydrophobicContact CD1-CG 4.44Å; Y241-P257 HydrophobicContact CE1-CG 4.4Å; N255-P257 WeakPolarHBondContact O-CD 3.36Å
258E89.8Confident84.5Confident79 Ų7965.7 Ų65.737%0.36938%0.376SS..SBendtrans-60.5131.4179.6-164.963.2-148.400112.5Y233 C256 K260 C261Y233-E258 WeakPolarHBondContact OH-CB 3.45Å; Y233-E258 PolarHBondContact OH-N 3.12Å; Y233-E258 VanDerWaalsContact OH-N 3.13Å; Y233-E258 PolarHBondContact OH-OE2 3.29Å; C256-E258 PolarHBondContact O-N 3.41Å; C256-E258 VanDerWaalsContact O-N 3.17Å; C256-E258 VanDerWaalsContact SG-CB 3.58Å; E258-K260 PolarHBondContact O-N 2.94Å; E258-C261 HydrophobicContact CB-CB 3.84Å; E258-C261 VanDerWaalsContact O-CB 3.3Å; E258-C261 WeakPolarHBondContact O-CB 3.45Å; E258-C261 PolarHBondContact O-N 3.38Å; E258-C261 VanDerWaalsContact O-N 3.12Å
259P85.2Confident84.6Confident101 Ų10161.8 Ų61.866%0.65635%0.354SS*.THydrogen-bonded Turntrans-55.7134.9175.9-25.234.6000112.5C261P259-C261 PolarHBondContact O-N 3.43Å
260K84.9Confident85Confident215 Ų21560.2 Ų60.294%0.93534%0.339SS*.THydrogen-bonded Turntrans66.94.8-179.2-48.1174.3-179.3175.10115E258E258-K260 PolarHBondContact O-N 2.94Å
261C89.3Confident85.6Confident24 Ų2462.4 Ų62.416%0.16234%0.344CS..  trans-85.9134.4170.7-169.50000110.2C256 E258 P259C256-C261 HydrophobicContact CB-CB 4.04Å; C256-C261 VanDerWaalsContact CB-SG 3.53Å; E258-C261 HydrophobicContact CB-CB 3.84Å; E258-C261 VanDerWaalsContact O-CB 3.3Å; E258-C261 WeakPolarHBondContact O-CB 3.45Å; E258-C261 PolarHBondContact O-N 3.38Å; E258-C261 VanDerWaalsContact O-N 3.12Å; P259-C261 PolarHBondContact O-N 3.43Å
262T86.8Confident86.3Confident123 Ų12368 Ų6876%0.75537%0.373SS*.  trans-112.49.2177.957.80000112.7
263S88.3Confident87.4Confident13 Ų1363.5 Ų63.59%0.09135%0.352CS..PPolyproline II helixtrans-65139.2178.4-650000111.2E228 C229 N255 C256E228-S263 WeakPolarHBondContact CB-OG 3.28Å; E228-S263 VanDerWaalsContact OE2-CA 3.29Å; E228-S263 WeakPolarHBondContact OE2-CA 3.27Å; E228-S263 WeakPolarHBondContact OE2-CB 3.48Å; E228-S263 PolarHBondContact OE2-OG 2.98Å; C229-S263 VanDerWaalsContact CB-OG 3.31Å; C229-S263 WeakPolarHBondContact CB-OG 3.25Å; C229-S263 VanDerWaalsContact SG-CB 3.6Å; N255-S263 CarbonylContact C-O 3.57Å; N255-S263 WeakPolarHBondContact CA-O 3.38Å; C256-S263 PolarHBondContact N-O 3.04Å
264L88.3Confident88.3Confident91 Ų9160.8 Ų60.848%0.47633%0.334SS..BIsolated β-bridgetrans-102.1146.2-176.8-66.7171.3000111.1E228E228-L264 PolarHBondContact OE2-N 3.05Å
265A88.8Confident88.5Confident8 Ų863 Ų637%0.06636%0.357CS..PPolyproline II helixtrans-71.3133.3168.400000109.8F226 F242 L254 V270F226-A265 HydrophobicContact CE1-CB 3.86Å; F226-A265 HydrophobicContact CZ-CB 4.43Å; F242-A265 HydrophobicContact CE1-CB 4Å; F242-A265 HydrophobicContact CE2-CB 4.38Å; F242-A265 HydrophobicContact CZ-CB 3.52Å; L254-A265 HydrophobicContact CB-CB 4.25Å; L254-A265 WeakPolarHBondContact O-CB 3.48Å; L254-A265 PolarHBondContact O-N 3.12Å; A265-V270 HydrophobicContact CB-CG2 4Å
266T87.9Confident88.5Confident61 Ų6168.8 Ų68.837%0.37438%0.383SS..PPolyproline II helixtrans-71.2149.5174620000110.7S268 Q269 V270T266-S268 PolarHBondContact O-N 3.46Å; T266-S268 VanDerWaalsContact O-N 3.12Å; T266-Q269 WeakPolarHBondContact O-CB 3.4Å; T266-Q269 PolarHBondContact O-N 3.3Å; T266-Q269 VanDerWaalsContact OG1-CD 3.27Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.3Å; T266-Q269 PolarHBondContact OG1-N 3.34Å; T266-Q269 PolarHBondContact OG1-OE1 3Å; T266-V270 PolarHBondContact O-N 3.08Å; T266-V270 VanDerWaalsContact O-N 3.09Å
267P88.1Confident88.4Confident68 Ų6876.8 Ų76.844%0.44242%0.42SS..Hα-helixtrans-54.7-34.4177.6-28.135.6000113.4V270 K271 F279 Y282P267-V270 PolarHBondContact O-N 3.44Å; P267-K271 WeakPolarHBondContact O-CB 3.34Å; P267-K271 PolarHBondContact O-N 3.35Å; P267-F279 WeakPolarHBondContact O-CE2 3.41Å; P267-Y282 HydrophobicContact CB-CE1 4.5Å
268S86.9Confident88.3Confident93 Ų9376.8 Ų76.865%0.6542%0.417SS*.Hα-helixtrans-64.2-40.7175.8-54.50000112.7T266 K271 L272T266-S268 PolarHBondContact O-N 3.46Å; T266-S268 VanDerWaalsContact O-N 3.12Å; S268-K271 PolarHBondContact O-N 3.45Å; S268-L272 WeakPolarHBondContact O-CB 3.46Å; S268-L272 PolarHBondContact O-N 2.81Å
269Q89.1Confident88.5Confident23 Ų2374.7 Ų74.711%0.10741%0.407CS..Hα-helixtrans-67.1-39.3175.5-71.6168.8-45.600111.6L224 C225 T266 L272 L273L224-Q269 HydrophobicContact CD1-CB 3.99Å; L224-Q269 HydrophobicContact CD1-CG 3.82Å; C225-Q269 PolarHBondContact O-NE2 2.92Å; T266-Q269 WeakPolarHBondContact O-CB 3.4Å; T266-Q269 PolarHBondContact O-N 3.3Å; T266-Q269 VanDerWaalsContact OG1-CD 3.27Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.3Å; T266-Q269 PolarHBondContact OG1-N 3.34Å; T266-Q269 PolarHBondContact OG1-OE1 3Å; Q269-L272 PolarHBondContact O-N 3.08Å; Q269-L273 WeakPolarHBondContact O-CG 3.36Å; Q269-L273 PolarHBondContact O-N 3.49Å
270V90.8Very high88.7Confident0 Ų072.2 Ų72.20%040%0.395CS..Hα-helixtrans-62.6-50.7175-177.60000109.4F242 I246 L254 A265 T266 P267 L272 L273 V274 F279 Y282F242-V270 HydrophobicContact CD2-CG1 4.47Å; F242-V270 HydrophobicContact CD2-CG2 4.38Å; F242-V270 HydrophobicContact CE2-CG2 4.12Å; F242-V270 HydrophobicContact CZ-CG2 4.45Å; I246-V270 HydrophobicContact CD1-CG1 4.14Å; L254-V270 HydrophobicContact CD1-CB 4.49Å; L254-V270 HydrophobicContact CD1-CG1 4Å; L254-V270 HydrophobicContact CD1-CG2 3.6Å; A265-V270 HydrophobicContact CB-CG2 4Å; T266-V270 PolarHBondContact O-N 3.08Å; T266-V270 VanDerWaalsContact O-N 3.09Å; P267-V270 PolarHBondContact O-N 3.44Å; V270-L272 VanDerWaalsContact C-N 3.27Å; V270-L272 PolarHBondContact O-N 3.07Å; V270-L273 PolarHBondContact O-N 2.95Å; V270-L273 VanDerWaalsContact O-N 3.07Å; V270-V274 HydrophobicContact CG1-CG1 4.25Å; V270-V274 HydrophobicContact CG1-CG2 3.89Å; V270-V274 WeakPolarHBondContact O-CG2 3.13Å; V270-V274 PolarHBondContact O-N 3.46Å; V270-F279 HydrophobicContact CB-CE2 4.49Å; V270-F279 HydrophobicContact CG1-CD2 4.22Å; V270-Y282 HydrophobicContact CB-CE1 4.41Å; V270-Y282 HydrophobicContact CG1-CD1 4.08Å; V270-Y282 HydrophobicContact CG1-CE1 4.28Å; V270-Y282 HydrophobicContact CG1-CG 4.21Å
271K90.7Very high88.9Confident128 Ų12867.4 Ų67.456%0.55737%0.371SS*.Hα-helixtrans-58.5-34.9178.6-169.2176178.6-1800113.6P267 S268 L273 F279P267-K271 WeakPolarHBondContact O-CB 3.34Å; P267-K271 PolarHBondContact O-N 3.35Å; S268-K271 PolarHBondContact O-N 3.45Å; K271-L273 VanDerWaalsContact C-N 3.31Å; K271-F279 HydrophobicContact CB-CD1 4.39Å; K271-F279 HydrophobicContact CB-CD2 3.62Å; K271-F279 HydrophobicContact CB-CE1 4.35Å; K271-F279 HydrophobicContact CB-CE2 3.58Å; K271-F279 HydrophobicContact CB-CG 4.04Å; K271-F279 HydrophobicContact CB-CZ 3.96Å; K271-F279 HydrophobicContact CD-CD1 4.16Å; K271-F279 HydrophobicContact CD-CE1 3.94Å; K271-F279 HydrophobicContact CD-CZ 4.19Å; K271-F279 HydrophobicContact CG-CD1 4.03Å; K271-F279 HydrophobicContact CG-CD2 4.09Å; K271-F279 HydrophobicContact CG-CE1 4.18Å; K271-F279 HydrophobicContact CG-CE2 4.25Å; K271-F279 HydrophobicContact CG-CG 3.97Å; K271-F279 HydrophobicContact CG-CZ 4.29Å
272L88.7Confident89Confident123 Ų12366.9 Ų66.964%0.64437%0.365SS*.Hα-helixtrans-66.6-34.5177.8-177.467.4000112.1S268 Q269 V270S268-L272 WeakPolarHBondContact O-CB 3.46Å; S268-L272 PolarHBondContact O-N 2.81Å; Q269-L272 PolarHBondContact O-N 3.08Å; V270-L272 VanDerWaalsContact C-N 3.27Å; V270-L272 PolarHBondContact O-N 3.07Å
273L89.8Confident89.1Confident20 Ų2065.2 Ų65.211%0.10535%0.352CS..Hα-helixtrans-97.2-33.7-173.1-65.4-175.7000113.5L224 K235 M238 T239 F242 Q269 V270 K271L224-L273 HydrophobicContact CB-CD1 4.48Å; L224-L273 HydrophobicContact CD1-CD1 4.29Å; L224-L273 HydrophobicContact CD2-CD1 3.84Å; L224-L273 HydrophobicContact CG-CD1 4.42Å; K235-L273 HydrophobicContact CB-CD2 3.76Å; K235-L273 HydrophobicContact CD-CD2 4.17Å; K235-L273 HydrophobicContact CG-CD2 3.76Å; M238-L273 HydrophobicContact CB-CD1 3.61Å; T239-L273 WeakPolarHBondContact CG2-O 3.27Å; F242-L273 HydrophobicContact CD2-CB 4.25Å; F242-L273 HydrophobicContact CD2-CD1 4.1Å; F242-L273 HydrophobicContact CE2-CD1 3.78Å; Q269-L273 WeakPolarHBondContact O-CG 3.36Å; Q269-L273 PolarHBondContact O-N 3.49Å; V270-L273 PolarHBondContact O-N 2.95Å; V270-L273 VanDerWaalsContact O-N 3.07Å; K271-L273 VanDerWaalsContact C-N 3.31Å
274V88.4Confident89Confident4 Ų472.8 Ų72.82%0.02438%0.379CS..SBendtrans-100.3136.3178.6-45.90000109.6F242 I246 V270 L278 F279F242-V274 HydrophobicContact CB-CG1 3.72Å; F242-V274 HydrophobicContact CD2-CG1 4.32Å; I246-V274 HydrophobicContact CD1-CG1 4.07Å; I246-V274 HydrophobicContact CD1-CG2 4.31Å; V270-V274 HydrophobicContact CG1-CG1 4.25Å; V270-V274 HydrophobicContact CG1-CG2 3.89Å; V270-V274 WeakPolarHBondContact O-CG2 3.13Å; V270-V274 PolarHBondContact O-N 3.46Å; V274-L278 HydrophobicContact CB-CB 4.14Å; V274-L278 HydrophobicContact CG2-CB 4.19Å; V274-F279 HydrophobicContact CG2-CB 3.78Å; V274-F279 HydrophobicContact CG2-CD2 4.31Å
275G87.6Confident89Confident49 Ų4970.4 Ų70.451%0.50537%0.366SS..  trans-60.6164.7176.600000112.9E277 L278 F279G275-E277 PolarHBondContact O-N 3.04Å; G275-E277 VanDerWaalsContact O-N 3.12Å; G275-L278 PolarHBondContact O-N 3.37Å; G275-L278 VanDerWaalsContact O-N 3.16Å; G275-F279 PolarHBondContact O-N 2.73Å
276E88.8Confident89Confident174 Ų17472.4 Ų72.481%0.81338%0.375SS*.Hα-helixtrans-52.7-38.9-173.3-64.2-171.3157.200113.8F279 A280E276-F279 PolarHBondContact O-N 2.74Å; E276-A280 WeakPolarHBondContact O-CB 3.28Å; E276-A280 PolarHBondContact O-N 3.1Å
277E88.4Confident89Confident172 Ų17274.2 Ų74.280%0.80438%0.382SS*.Hα-helixtrans-65.3-47.5-178.7-173.3-178.5178.800112.6G275 F279 A280 R281G275-E277 PolarHBondContact O-N 3.04Å; G275-E277 VanDerWaalsContact O-N 3.12Å; E277-F279 VanDerWaalsContact C-N 3.33Å; E277-A280 PolarHBondContact O-N 3.09Å; E277-R281 PolarHBondContact O-N 2.87Å; E277-R281 VanDerWaalsContact O-N 3.13Å
278L89Confident88.9Confident43 Ų4375 Ų7523%0.22538%0.38CS..Hα-helixtrans-70.3-34178-71.7179.7000111.4Q243 V274 G275 R281 Y282Q243-L278 HydrophobicContact CB-CD1 4.35Å; Q243-L278 HydrophobicContact CG-CD1 3.65Å; V274-L278 HydrophobicContact CB-CB 4.14Å; V274-L278 HydrophobicContact CG2-CB 4.19Å; G275-L278 PolarHBondContact O-N 3.37Å; G275-L278 VanDerWaalsContact O-N 3.16Å; L278-R281 PolarHBondContact O-N 2.93Å; L278-Y282 WeakPolarHBondContact O-CB 3.47Å; L278-Y282 PolarHBondContact O-N 2.87Å
279F92.1Very high88.9Confident36 Ų3671.7 Ų71.716%0.15836%0.357CS..Hα-helixtrans-64.5-42.5174-173.8-102.8000111.5P267 V270 K271 V274 G275 E276 E277 R281 Y282 D283P267-F279 WeakPolarHBondContact O-CE2 3.41Å; V270-F279 HydrophobicContact CB-CE2 4.49Å; V270-F279 HydrophobicContact CG1-CD2 4.22Å; K271-F279 HydrophobicContact CB-CD1 4.39Å; K271-F279 HydrophobicContact CB-CD2 3.62Å; K271-F279 HydrophobicContact CB-CE1 4.35Å; K271-F279 HydrophobicContact CB-CE2 3.58Å; K271-F279 HydrophobicContact CB-CG 4.04Å; K271-F279 HydrophobicContact CB-CZ 3.96Å; K271-F279 HydrophobicContact CD-CD1 4.16Å; K271-F279 HydrophobicContact CD-CE1 3.94Å; K271-F279 HydrophobicContact CD-CZ 4.19Å; K271-F279 HydrophobicContact CG-CD1 4.03Å; K271-F279 HydrophobicContact CG-CD2 4.09Å; K271-F279 HydrophobicContact CG-CE1 4.18Å; K271-F279 HydrophobicContact CG-CE2 4.25Å; K271-F279 HydrophobicContact CG-CG 3.97Å; K271-F279 HydrophobicContact CG-CZ 4.29Å; V274-F279 HydrophobicContact CG2-CB 3.78Å; V274-F279 HydrophobicContact CG2-CD2 4.31Å; G275-F279 PolarHBondContact O-N 2.73Å; E276-F279 PolarHBondContact O-N 2.74Å; E277-F279 VanDerWaalsContact C-N 3.33Å; F279-R281 VanDerWaalsContact C-N 3.27Å; F279-R281 PolarHBondContact O-N 3.35Å; F279-Y282 AromaticContact CD2-CD1 3.94Å; F279-Y282 HydrophobicContact CD2-CD1 3.94Å; F279-Y282 AromaticContact CE2-CD1 3.74Å; F279-Y282 HydrophobicContact CE2-CD1 3.74Å; F279-Y282 HydrophobicContact CE2-CE1 4.04Å; F279-Y282 WeakPolarHBondContact O-CB 3.36Å; F279-Y282 PolarHBondContact O-N 2.73Å; F279-Y282 VanDerWaalsContact O-N 3.14Å; F279-D283 WeakPolarHBondContact O-CB 3.34Å; F279-D283 PolarHBondContact O-N 3.11Å
280A89.6Confident88.8Confident48 Ų4873.2 Ų73.240%0.39737%0.37SS..Hα-helixtrans-62.7-34.7175.800000112.4E276 E277 R284E276-A280 WeakPolarHBondContact O-CB 3.28Å; E276-A280 PolarHBondContact O-N 3.1Å; E277-A280 PolarHBondContact O-N 3.09Å; A280-R284 WeakPolarHBondContact O-CB 3.25Å; A280-R284 PolarHBondContact O-N 3.49Å; A280-R284 VanDerWaalsContact O-N 3.14Å
281R89.9Confident88.7Confident115 Ų11574.8 Ų74.843%0.43438%0.378SS..Hα-helixtrans-66.8-46.2171178.7177.3171.7133.1-1.3111.4I246 R247 E277 L278 F279 R284 L285I246-R281 HydrophobicContact CG2-CB 4.35Å; I246-R281 HydrophobicContact CG2-CG 4.08Å; I246-R281 PolarHBondContact O-NE 3.12Å; R247-R281 PolarHBondContact O-NH2 2.79Å; E277-R281 PolarHBondContact O-N 2.87Å; E277-R281 VanDerWaalsContact O-N 3.13Å; L278-R281 PolarHBondContact O-N 2.93Å; F279-R281 VanDerWaalsContact C-N 3.27Å; F279-R281 PolarHBondContact O-N 3.35Å; R281-R284 PolarHBondContact O-N 2.85Å; R281-L285 HydrophobicContact CG-CD1 3.89Å; R281-L285 HydrophobicContact CG-CG 4.4Å; R281-L285 WeakPolarHBondContact O-CB 3.45Å; R281-L285 VanDerWaalsContact O-CG 3.31Å; R281-L285 WeakPolarHBondContact O-CG 3.49Å; R281-L285 PolarHBondContact O-N 2.82Å
282Y90.4Very high88.5Confident12 Ų1271.7 Ų71.75%0.04737%0.368CS..Hα-helixtrans-56.5-50.2176.2164.8-103.4000111.7I246 V251 L254 P267 V270 L278 F279 R284 L285 L286I246-Y282 HydrophobicContact CD1-CD2 4.45Å; I246-Y282 HydrophobicContact CD1-CG 4.39Å; I246-Y282 HydrophobicContact CG1-CD2 4.21Å; V251-Y282 HydrophobicContact CB-CD2 3.81Å; V251-Y282 HydrophobicContact CB-CE2 4.04Å; V251-Y282 HydrophobicContact CG1-CD2 3.81Å; L254-Y282 HydrophobicContact CD1-CD2 3.69Å; L254-Y282 HydrophobicContact CD1-CE2 3.36Å; L254-Y282 HydrophobicContact CG-CE2 4.23Å; P267-Y282 HydrophobicContact CB-CE1 4.5Å; V270-Y282 HydrophobicContact CB-CE1 4.41Å; V270-Y282 HydrophobicContact CG1-CD1 4.08Å; V270-Y282 HydrophobicContact CG1-CE1 4.28Å; V270-Y282 HydrophobicContact CG1-CG 4.21Å; L278-Y282 WeakPolarHBondContact O-CB 3.47Å; L278-Y282 PolarHBondContact O-N 2.87Å; F279-Y282 AromaticContact CD2-CD1 3.94Å; F279-Y282 HydrophobicContact CD2-CD1 3.94Å; F279-Y282 AromaticContact CE2-CD1 3.74Å; F279-Y282 HydrophobicContact CE2-CD1 3.74Å; F279-Y282 HydrophobicContact CE2-CE1 4.04Å; F279-Y282 WeakPolarHBondContact O-CB 3.36Å; F279-Y282 PolarHBondContact O-N 2.73Å; F279-Y282 VanDerWaalsContact O-N 3.14Å; Y282-R284 PolarHBondContact O-N 3.44Å; Y282-L285 PolarHBondContact O-N 3.46Å; Y282-L286 HydrophobicContact CE1-CD2 4.23Å; Y282-L286 VanDerWaalsContact O-CB 3.31Å; Y282-L286 WeakPolarHBondContact O-CB 3.46Å; Y282-L286 PolarHBondContact O-N 3.37Å
283D89.6Confident88.4Confident88 Ų8871.8 Ų71.847%0.47137%0.368SS..Hα-helixtrans-59.5-44.9179.8-173.854.2000111.7F279 L285 L286 L287F279-D283 WeakPolarHBondContact O-CB 3.34Å; F279-D283 PolarHBondContact O-N 3.11Å; D283-L285 PolarHBondContact O-N 3.16Å; D283-L286 PolarHBondContact O-N 2.6Å; D283-L287 WeakPolarHBondContact O-CB 3.29Å; D283-L287 PolarHBondContact O-N 3.18Å
284R87.1Confident88.3Confident173 Ų17374.9 Ų74.965%0.65338%0.383SS*.Hα-helixtrans-61.3-46.1175.8-171.4-172.9-52.6165.86.2112.4A280 R281 Y282 Q288A280-R284 WeakPolarHBondContact O-CB 3.25Å; A280-R284 PolarHBondContact O-N 3.49Å; A280-R284 VanDerWaalsContact O-N 3.14Å; R281-R284 PolarHBondContact O-N 2.85Å; Y282-R284 PolarHBondContact O-N 3.44Å; R284-Q288 VanDerWaalsContact O-CB 3.3Å; R284-Q288 WeakPolarHBondContact O-CB 3.26Å; R284-Q288 PolarHBondContact O-N 2.97Å
285L87.9Confident88.1Confident40 Ų4075.3 Ų75.321%0.20939%0.387CS..Hα-helixtrans-68.2-37.4-179.9-71.7172.3000111.1V251 R281 Y282 D283 Q288 S289V251-L285 HydrophobicContact CB-CB 4.14Å; V251-L285 HydrophobicContact CG1-CB 3.62Å; V251-L285 HydrophobicContact CG1-CD1 3.63Å; V251-L285 HydrophobicContact CG1-CG 4.29Å; V251-L285 HydrophobicContact CG2-CB 3.53Å; R281-L285 HydrophobicContact CG-CD1 3.89Å; R281-L285 HydrophobicContact CG-CG 4.4Å; R281-L285 WeakPolarHBondContact O-CB 3.45Å; R281-L285 VanDerWaalsContact O-CG 3.31Å; R281-L285 WeakPolarHBondContact O-CG 3.49Å; R281-L285 PolarHBondContact O-N 2.82Å; Y282-L285 PolarHBondContact O-N 3.46Å; D283-L285 PolarHBondContact O-N 3.16Å; L285-Q288 PolarHBondContact O-N 3.15Å; L285-S289 WeakPolarHBondContact O-CB 3.48Å; L285-S289 PolarHBondContact O-N 3.1Å
286L88.4Confident88.1Confident50 Ų5076.1 Ų76.126%0.26238%0.38SS..Hα-helixtrans-64.2-45.6177.2-176.467.7000110.4Y282 D283 S289 S290Y282-L286 HydrophobicContact CE1-CD2 4.23Å; Y282-L286 VanDerWaalsContact O-CB 3.31Å; Y282-L286 WeakPolarHBondContact O-CB 3.46Å; Y282-L286 PolarHBondContact O-N 3.37Å; D283-L286 PolarHBondContact O-N 2.6Å; L286-S289 PolarHBondContact O-N 3Å; L286-S290 WeakPolarHBondContact O-CB 3.34Å; L286-S290 PolarHBondContact O-N 2.9Å; L286-S290 PolarHBondContact O-OG 3.42Å
287L87.7Confident88.2Confident100 Ų10068 Ų6852%0.52434%0.342SS..Hα-helixtrans-61-51.8173.7178.461.3000111.4D283 S289 S290 L291D283-L287 WeakPolarHBondContact O-CB 3.29Å; D283-L287 PolarHBondContact O-N 3.18Å; L287-S289 VanDerWaalsContact C-N 3.28Å; L287-S289 PolarHBondContact O-N 3.47Å; L287-S290 PolarHBondContact O-N 2.75Å; L287-S290 VanDerWaalsContact O-N 3.12Å; L287-L291 HydrophobicContact CD1-CD1 3.97Å; L287-L291 HydrophobicContact CD1-CG 4.1Å; L287-L291 HydrophobicContact CG-CD1 3.86Å; L287-L291 HydrophobicContact CG-CG 4.4Å; L287-L291 WeakPolarHBondContact O-CB 3.31Å; L287-L291 VanDerWaalsContact O-CG 3.26Å; L287-L291 WeakPolarHBondContact O-CG 3.39Å; L287-L291 PolarHBondContact O-N 3.28Å
288Q85.9Confident88.2Confident85 Ų8559.9 Ų59.940%0.39730%0.304SS..Hα-helixtrans-55.8-46.9179.2-175.3-179.3-22.700110.9R284 L285 S290 L291 D292 Y299R284-Q288 VanDerWaalsContact O-CB 3.3Å; R284-Q288 WeakPolarHBondContact O-CB 3.26Å; R284-Q288 PolarHBondContact O-N 2.97Å; L285-Q288 PolarHBondContact O-N 3.15Å; Q288-S290 VanDerWaalsContact C-N 3.31Å; Q288-S290 PolarHBondContact O-N 3.35Å; Q288-L291 WeakPolarHBondContact O-CB 3.14Å; Q288-L291 PolarHBondContact O-N 3.08Å; Q288-D292 PolarHBondContact O-N 2.87Å; Q288-Y299 HydrophobicContact CG-CE1 4.3Å; Q288-Y299 WeakPolarHBondContact CG-OH 3.39Å; Q288-Y299 PolarHBondContact O-OH 3.5Å
289S86.3Confident88.3Confident23 Ų2360.5 Ų60.516%0.16130%0.304CS..Hα-helixtrans-64.9-34179.2-171.60000113.5Q252 L285 L286 L287Q252-S289 WeakPolarHBondContact CG-OG 3.43Å; Q252-S289 PolarHBondContact NE2-OG 2.95Å; L285-S289 WeakPolarHBondContact O-CB 3.48Å; L285-S289 PolarHBondContact O-N 3.1Å; L286-S289 PolarHBondContact O-N 3Å; L287-S289 VanDerWaalsContact C-N 3.28Å; L287-S289 PolarHBondContact O-N 3.47Å
290S88.1Confident88.4Confident55 Ų5558.9 Ų58.939%0.38530%0.297SS..Hα-helixtrans-70.5-38.1175.1-570000111.2L286 L287 Q288 L293L286-S290 WeakPolarHBondContact O-CB 3.34Å; L286-S290 PolarHBondContact O-N 2.9Å; L286-S290 PolarHBondContact O-OG 3.42Å; L287-S290 PolarHBondContact O-N 2.75Å; L287-S290 VanDerWaalsContact O-N 3.12Å; Q288-S290 VanDerWaalsContact C-N 3.31Å; Q288-S290 PolarHBondContact O-N 3.35Å; S290-L293 PolarHBondContact O-N 3.49Å
291L89.3Confident88.5Confident33 Ų3358.9 Ų58.917%0.17329%0.293CS..Hα-helixtrans-69.2-34.4176.6-69.9172.6000112.2L287 Q288 L293 M294 V297 A308L287-L291 HydrophobicContact CD1-CD1 3.97Å; L287-L291 HydrophobicContact CD1-CG 4.1Å; L287-L291 HydrophobicContact CG-CD1 3.86Å; L287-L291 HydrophobicContact CG-CG 4.4Å; L287-L291 WeakPolarHBondContact O-CB 3.31Å; L287-L291 VanDerWaalsContact O-CG 3.26Å; L287-L291 WeakPolarHBondContact O-CG 3.39Å; L287-L291 PolarHBondContact O-N 3.28Å; Q288-L291 WeakPolarHBondContact O-CB 3.14Å; Q288-L291 PolarHBondContact O-N 3.08Å; L291-L293 PolarHBondContact O-N 3.44Å; L291-M294 HydrophobicContact CD2-SD 4.15Å; L291-M294 WeakPolarHBondContact O-CB 3.29Å; L291-M294 PolarHBondContact O-N 3.47Å; L291-V297 HydrophobicContact CB-CG1 4.11Å; L291-V297 HydrophobicContact CD2-CG1 4.46Å; L291-V297 HydrophobicContact CD2-CG2 4.17Å; L291-A308 HydrophobicContact CD1-CB 3.71Å
292D85.3Confident88.7Confident63 Ų6359.1 Ų59.134%0.33729%0.294SS..Hα-helixtrans-64.1-23.9177.6-73.2-18.9000113.4Q288 M294 Y299Q288-D292 PolarHBondContact O-N 2.87Å; D292-M294 VanDerWaalsContact C-N 3.27Å; D292-Y299 WeakPolarHBondContact OD1-CE2 3.4Å; D292-Y299 PolarHBondContact OD1-OH 3.13Å
293L86.1Confident88.6Confident124 Ų12467.5 Ų67.565%0.64933%0.333SS*.THydrogen-bonded Turntrans-78.2-11.6174.2-64172.9000112.8S290 L291S290-L293 PolarHBondContact O-N 3.49Å; L291-L293 PolarHBondContact O-N 3.44Å
294M88.6Confident88.7Confident86 Ų8668.9 Ų68.942%0.42435%0.35SS..  trans-93.4121.1179.9-58.2-176.8-176.800109.9L291 D292 D296 V297L291-M294 HydrophobicContact CD2-SD 4.15Å; L291-M294 WeakPolarHBondContact O-CB 3.29Å; L291-M294 PolarHBondContact O-N 3.47Å; D292-M294 VanDerWaalsContact C-N 3.27Å; M294-D296 VanDerWaalsContact C-N 3.29Å; M294-D296 PolarHBondContact O-N 3.1Å; M294-V297 HydrophobicContact CB-CB 4.18Å; M294-V297 HydrophobicContact CB-CG2 3.63Å; M294-V297 HydrophobicContact CG-CG2 4.44Å; M294-V297 PolarHBondContact O-N 3.19Å; M294-V297 HydrophobicContact SD-CG2 4.13Å
295A84.1Confident88.9Confident12 Ų1262.1 Ų62.110%0.09933%0.329CS..THydrogen-bonded Turntrans-67.4-31.2-176.400000112.6V297 F365 Q368 R369A295-V297 PolarHBondContact O-N 2.94Å; A295-F365 HydrophobicContact CB-CD2 4.04Å; A295-F365 HydrophobicContact CB-CE2 3.93Å; A295-Q368 HydrophobicContact CB-CB 3.51Å; A295-R369 HydrophobicContact CB-CB 4.34Å; A295-R369 VanDerWaalsContact O-CA 3.23Å; A295-R369 WeakPolarHBondContact O-CA 3.39Å; A295-R369 WeakPolarHBondContact O-CG 3.42Å
296D87.6Confident88.9Confident67 Ų6763.6 Ų63.636%0.35834%0.342SS..THydrogen-bonded Turntrans-80.42179.258.6-19.1000113.8M294 M310 V311M294-D296 VanDerWaalsContact C-N 3.29Å; M294-D296 PolarHBondContact O-N 3.1Å; D296-M310 HydrophobicContact CB-CE 4.44Å; D296-M310 CarbonylContact O-C 3.51Å; D296-M310 WeakPolarHBondContact O-CA 3.37Å; D296-M310 WeakPolarHBondContact OD2-CE 3.41Å; D296-V311 PolarHBondContact O-N 2.92Å
297V90.1Very high89Confident2 Ų265.8 Ų65.81%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-102.7128.2177.4-177.20000111.9L291 M294 A295 A308 M310L291-V297 HydrophobicContact CB-CG1 4.11Å; L291-V297 HydrophobicContact CD2-CG1 4.46Å; L291-V297 HydrophobicContact CD2-CG2 4.17Å; M294-V297 HydrophobicContact CB-CB 4.18Å; M294-V297 HydrophobicContact CB-CG2 3.63Å; M294-V297 HydrophobicContact CG-CG2 4.44Å; M294-V297 PolarHBondContact O-N 3.19Å; M294-V297 HydrophobicContact SD-CG2 4.13Å; A295-V297 PolarHBondContact O-N 2.94Å; V297-A308 HydrophobicContact CG1-CB 3.94Å; V297-M310 HydrophobicContact CG2-CE 4.36Å; V297-M310 HydrophobicContact CG2-SD 3.53Å; V297-M310 VanDerWaalsContact CG2-SD 3.53Å
298V89.5Confident89.2Confident2 Ų262.2 Ų62.21%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-132.3154.1169.7-55.10000110.6V309 V311 F327 T329V298-V309 HydrophobicContact CG2-CB 4.26Å; V298-V309 PolarHBondContact N-O 2.98Å; V298-V309 WeakPolarHBondContact O-CA 3.21Å; V298-V309 WeakPolarHBondContact O-CB 3.34Å; V298-V309 PolarHBondContact O-N 3.26Å; V298-V311 HydrophobicContact CB-CG2 4.47Å; V298-V311 HydrophobicContact CG1-CG2 4.35Å; V298-V311 HydrophobicContact CG2-CG2 3.41Å; V298-V311 VanDerWaalsContact CG2-CG2 3.41Å; V298-F327 HydrophobicContact CG2-CE2 3.86Å; V298-F327 HydrophobicContact CG2-CZ 3.81Å; V298-T329 HydrophobicContact CG2-CG2 4.37Å
299Y91.5Very high89.5Confident57 Ų5758.3 Ų58.322%0.22432%0.317CS..EExtended strand (participates in β ladder)trans-91.4144177.9-60.1-85000112.1Q288 D292 C306 A308Q288-Y299 HydrophobicContact CG-CE1 4.3Å; Q288-Y299 WeakPolarHBondContact CG-OH 3.39Å; Q288-Y299 PolarHBondContact O-OH 3.5Å; D292-Y299 WeakPolarHBondContact OD1-CE2 3.4Å; D292-Y299 PolarHBondContact OD1-OH 3.13Å; Y299-C306 WeakPolarHBondContact CD1-O 3.2Å; Y299-A308 HydrophobicContact CD1-CB 4.28Å; Y299-A308 HydrophobicContact CE1-CB 4.04Å
300C93.2Very high89.6Confident2 Ų262.9 Ų62.91%0.01434%0.337CS..  trans-57.4126168.8-175.50000109.4R302 C305 C306 Q307 V309 C320 C323C300-R302 PolarHBondContact O-N 3.17Å; C300-R302 VanDerWaalsContact O-N 3.16Å; C300-C305 HydrophobicContact CB-CB 4.5Å; C300-C306 WeakPolarHBondContact O-CA 3.47Å; C300-Q307 PolarHBondContact N-O 3.37Å; C300-V309 HydrophobicContact CB-CG2 4.38Å; C300-C320 HydrophobicContact CB-CB 4.06Å; C300-C323 VanDerWaalsContact SG-SG 3.62Å
301P92.8Very high89.5Confident47 Ų4761 Ų6131%0.30532%0.324SS..SBendtrans-75.2-3.3-175.332.2-39.3000113.9Q303 Y325 F327 K332P301-Q303 PolarHBondContact O-N 2.79Å; P301-Y325 HydrophobicContact CG-CD1 4.13Å; P301-Y325 HydrophobicContact CG-CE1 3.75Å; P301-F327 HydrophobicContact CG-CB 3.96Å; P301-F327 HydrophobicContact CG-CD1 4.33Å; P301-F327 HydrophobicContact CG-CD2 4Å; P301-F327 HydrophobicContact CG-CG 3.84Å; P301-K332 HydrophobicContact CB-CB 3.92Å; P301-K332 WeakPolarHBondContact CB-O 3.41Å; P301-K332 HydrophobicContact CG-CB 4.5Å; P301-K332 VanDerWaalsContact CG-O 3.25Å; P301-K332 WeakPolarHBondContact CG-O 3Å
302R92.4Very high89.1Confident120 Ų12066.5 Ų66.545%0.45335%0.348SS..  trans-74.4117.7173.4-73.3-176.3177.9-123.41.1109.2C300 S304 C305 C306 Y325C300-R302 PolarHBondContact O-N 3.17Å; C300-R302 VanDerWaalsContact O-N 3.16Å; R302-S304 PolarHBondContact O-N 2.9Å; R302-S304 VanDerWaalsContact O-N 3.12Å; R302-C305 HydrophobicContact CB-CB 4.02Å; R302-C305 PolarHBondContact O-N 2.82Å; R302-C306 PolarHBondContact O-N 3.41Å; R302-C306 PolarHBondContact O-SG 3.46Å; R302-Y325 HydrophobicContact CG-CD1 4Å; R302-Y325 HydrophobicContact CG-CE1 4.4Å; R302-Y325 HydrophobicContact CG-CG 4.33Å; R302-Y325 VanDerWaalsContact NE-CG 3.28Å; R302-Y325 VanDerWaalsContact NH2-CD2 3.34Å
303Q89Confident88.5Confident188 Ų18868.3 Ų68.388%0.87936%0.364SS*.THydrogen-bonded Turntrans-56.5-28.6179.1-63.1-178.311.100113.5P301 C305P301-Q303 PolarHBondContact O-N 2.79Å; Q303-C305 VanDerWaalsContact C-N 3.32Å
304S90.9Very high87.8Confident117 Ų11767.5 Ų67.582%0.81836%0.36SS*.THydrogen-bonded Turntrans-79.6-11.217658.40000114.3R302R302-S304 PolarHBondContact O-N 2.9Å; R302-S304 VanDerWaalsContact O-N 3.12Å
305C92.6Very high87.4Confident32 Ų3265.7 Ų65.722%0.21635%0.354CS..THydrogen-bonded Turntrans-116-59.3-175.9-177.10000111.8C300 R302 Q303 Q307 C323C300-C305 HydrophobicContact CB-CB 4.5Å; R302-C305 HydrophobicContact CB-CB 4.02Å; R302-C305 PolarHBondContact O-N 2.82Å; Q303-C305 VanDerWaalsContact C-N 3.32Å; C305-Q307 PolarHBondContact O-N 2.93Å; C305-C323 HydrophobicContact CB-CB 4.41Å
306C87.9Confident87.4Confident70 Ų7066.3 Ų66.347%0.47336%0.357SS..  trans46.822.4-179.8-62.20000115.3Y299 C300 R302Y299-C306 WeakPolarHBondContact CD1-O 3.2Å; C300-C306 WeakPolarHBondContact O-CA 3.47Å; R302-C306 PolarHBondContact O-N 3.41Å; R302-C306 PolarHBondContact O-SG 3.46Å
307Q90.4Very high87.5Confident97 Ų9766.7 Ų66.745%0.45336%0.357SS..  trans-69.9140.2-178.2-17264.926.100109.9C300 C305 V309 A322C300-Q307 PolarHBondContact N-O 3.37Å; C305-Q307 PolarHBondContact O-N 2.93Å; Q307-V309 WeakPolarHBondContact O-CG2 3.42Å; Q307-A322 HydrophobicContact CB-CB 4.15Å; Q307-A322 HydrophobicContact CG-CB 4.08Å
308A92.1Very high87.6Confident24 Ų2466.6 Ų66.620%0.19836%0.357CS..EExtended strand (participates in β ladder)trans-63.9135.7170.300000111L291 V297 Y299L291-A308 HydrophobicContact CD1-CB 3.71Å; V297-A308 HydrophobicContact CG1-CB 3.94Å; Y299-A308 HydrophobicContact CD1-CB 4.28Å; Y299-A308 HydrophobicContact CE1-CB 4.04Å
309V91.9Very high87.8Confident3 Ų370.6 Ų70.62%0.01838%0.377CS..EExtended strand (participates in β ladder)trans-128.3122.5-176.2-1760000108V298 C300 Q307 V311 I319 C320 F327V298-V309 HydrophobicContact CG2-CB 4.26Å; V298-V309 PolarHBondContact N-O 2.98Å; V298-V309 WeakPolarHBondContact O-CA 3.21Å; V298-V309 WeakPolarHBondContact O-CB 3.34Å; V298-V309 PolarHBondContact O-N 3.26Å; C300-V309 HydrophobicContact CB-CG2 4.38Å; Q307-V309 WeakPolarHBondContact O-CG2 3.42Å; V309-V311 HydrophobicContact CG1-CG2 4.44Å; V309-I319 VanDerWaalsContact CG1-O 3.28Å; V309-I319 WeakPolarHBondContact CG1-O 3Å; V309-C320 HydrophobicContact CG2-CB 4.08Å; V309-F327 HydrophobicContact CB-CZ 4.33Å; V309-F327 HydrophobicContact CG2-CE1 4.17Å; V309-F327 HydrophobicContact CG2-CZ 4.17Å
310M89.1Confident87.9Confident119 Ų11967.9 Ų67.959%0.58637%0.367SS*.EExtended strand (participates in β ladder)trans-74.2131.9169.3-57.8-63.4-64.100108.8D296 V297D296-M310 HydrophobicContact CB-CE 4.44Å; D296-M310 CarbonylContact O-C 3.51Å; D296-M310 WeakPolarHBondContact O-CA 3.37Å; D296-M310 WeakPolarHBondContact OD2-CE 3.41Å; V297-M310 HydrophobicContact CG2-CE 4.36Å; V297-M310 HydrophobicContact CG2-SD 3.53Å; V297-M310 VanDerWaalsContact CG2-SD 3.53Å
311V86Confident87.9Confident17 Ų1771.8 Ų71.810%0.10339%0.392CS..  trans-119.9139-179.4-179.60000109.6D296 V298 V309 T329D296-V311 PolarHBondContact O-N 2.92Å; V298-V311 HydrophobicContact CB-CG2 4.47Å; V298-V311 HydrophobicContact CG1-CG2 4.35Å; V298-V311 HydrophobicContact CG2-CG2 3.41Å; V298-V311 VanDerWaalsContact CG2-CG2 3.41Å; V309-V311 HydrophobicContact CG1-CG2 4.44Å; V311-T329 HydrophobicContact CG1-CG2 4Å; V311-T329 HydrophobicContact CG2-CG2 4.01Å
312E80.1Confident87.9Confident147 Ų14772.7 Ų72.769%0.68740%0.404SS*.  trans-70.8138.8173.9-68.1-170.8162.200111.4T315E312-T315 HydrophobicContact CB-CG2 3.98Å; E312-T315 PolarHBondContact O-N 3.28Å; E312-T315 PolarHBondContact O-OG1 3.45Å
313P72Confident88.1Confident102 Ų10269.4 Ų69.466%0.66240%0.398SS*.THydrogen-bonded Turntrans-52.7146.4176.4-23.531.8000112.3T315P313-T315 PolarHBondContact O-N 3.26Å
314D72.9Confident88.3Confident107 Ų10766.8 Ų66.857%0.57239%0.386SS*.THydrogen-bonded Turntrans627.2178.2-61.8-43.4000116.2G371D314-G371 WeakPolarHBondContact OD1-CA 3.19Å
315T79.8Confident88.5Confident48 Ų4864 Ų6429%0.29436%0.358SS..  trans-101.2144.7172.176.10000111.2E312 P313 M317E312-T315 HydrophobicContact CB-CG2 3.98Å; E312-T315 PolarHBondContact O-N 3.28Å; E312-T315 PolarHBondContact O-OG1 3.45Å; P313-T315 PolarHBondContact O-N 3.26Å; T315-M317 VanDerWaalsContact C-N 3.34Å
316T83.9Confident88.6Confident25 Ų2564.3 Ų64.315%0.15336%0.363CS..  trans-95.49.4173.557.20000112.5C328 T329 L330 V374T316-C328 CarbonylContact O-C 3.53Å; T316-C328 WeakPolarHBondContact O-CA 3.49Å; T316-T329 WeakPolarHBondContact CA-OG1 3.25Å; T316-T329 PolarHBondContact O-N 2.81Å; T316-L330 HydrophobicContact CG2-CD1 4.13Å; T316-L330 HydrophobicContact CG2-CG 4.48Å; T316-V374 HydrophobicContact CG2-CG1 3.86Å; T316-V374 HydrophobicContact CG2-CG2 3.84Å
317M90.1Very high88.9Confident74 Ų7461 Ų6137%0.36534%0.34SS..EExtended strand (participates in β ladder)trans-108.4122.3-172.4-170.3170.963.100110.8T315 I319 Y335T315-M317 VanDerWaalsContact C-N 3.34Å; M317-I319 HydrophobicContact CE-CD1 4.28Å; M317-I319 HydrophobicContact CG-CG1 4.39Å; M317-Y335 HydrophobicContact CB-CD2 3.7Å; M317-Y335 HydrophobicContact CB-CE1 4.48Å; M317-Y335 HydrophobicContact CB-CE2 3.46Å; M317-Y335 VanDerWaalsContact CB-CE2 3.46Å; M317-Y335 HydrophobicContact CB-CG 4.31Å; M317-Y335 HydrophobicContact CG-CD1 4.07Å; M317-Y335 HydrophobicContact CG-CD2 3.72Å; M317-Y335 HydrophobicContact CG-CE1 4.2Å; M317-Y335 HydrophobicContact CG-CE2 3.88Å; M317-Y335 HydrophobicContact CG-CG 3.81Å; M317-Y335 HydrophobicContact SD-CD1 3.7Å; M317-Y335 HydrophobicContact SD-CD2 4.38Å; M317-Y335 HydrophobicContact SD-CE1 3.59Å; M317-Y335 VanDerWaalsContact SD-CE1 3.59Å; M317-Y335 HydrophobicContact SD-CE2 4.3Å; M317-Y335 HydrophobicContact SD-CG 4.08Å
318G91.4Very high88.9Confident1 Ų156.4 Ų56.41%0.0132%0.319CS..EExtended strand (participates in β ladder)trans-112.2134.6166.500000110.4A326 F327G318-A326 CarbonylContact O-C 3.53Å; G318-A326 WeakPolarHBondContact O-CA 3.38Å; G318-F327 PolarHBondContact N-O 3.4Å; G318-F327 VanDerWaalsContact O-CD1 3.27Å; G318-F327 WeakPolarHBondContact O-CD1 3.01Å; G318-F327 PolarHBondContact O-N 2.87Å
319I93.6Very high88.7Confident86 Ų8655.3 Ų55.344%0.44131%0.31SS..EExtended strand (participates in β ladder)trans-115.8114.7173.4-57.6176.4000108.2V309 M317 P321 A326V309-I319 VanDerWaalsContact CG1-O 3.28Å; V309-I319 WeakPolarHBondContact CG1-O 3Å; M317-I319 HydrophobicContact CE-CD1 4.28Å; M317-I319 HydrophobicContact CG-CG1 4.39Å; I319-P321 WeakPolarHBondContact O-CD 3.43Å; I319-A326 HydrophobicContact CG1-CB 4.35Å
320C94.4Very high88.4Confident0 Ų056.8 Ų56.80%032%0.317CS..  trans-71.5123.2179.9179.90000111.1C300 V309 A322 Q324 Y325C300-C320 HydrophobicContact CB-CB 4.06Å; V309-C320 HydrophobicContact CG2-CB 4.08Å; C320-A322 VanDerWaalsContact C-N 3.28Å; C320-A322 PolarHBondContact O-N 2.98Å; C320-Q324 WeakPolarHBondContact O-CA 3.31Å; C320-Q324 PolarHBondContact O-N 3.19Å; C320-Y325 PolarHBondContact N-O 3.43Å
321P92.7Very high88.3Confident83 Ų8351.6 Ų51.654%0.53929%0.293SS..THydrogen-bonded Turntrans-68.1-27.9-179.626.5-33.6000112.9I319 Q324I319-P321 WeakPolarHBondContact O-CD 3.43Å; P321-Q324 PolarHBondContact O-NE2 2.63Å
322A93.3Very high88.5Confident67 Ų6754.5 Ų54.555%0.55430%0.304SS*.THydrogen-bonded Turntrans-79.8-46.3-17700000113.2Q307 C320Q307-A322 HydrophobicContact CB-CB 4.15Å; Q307-A322 HydrophobicContact CG-CB 4.08Å; C320-A322 VanDerWaalsContact C-N 3.28Å; C320-A322 PolarHBondContact O-N 2.98Å
323C95.3Very high89Confident50 Ų5053.2 Ų53.234%0.33829%0.293SS..THydrogen-bonded Turntrans-113.31.9-175.770.20000114.6C300 C305 Y325C300-C323 VanDerWaalsContact SG-SG 3.62Å; C305-C323 HydrophobicContact CB-CB 4.41Å; C323-Y325 PolarHBondContact O-N 3.28Å; C323-Y325 VanDerWaalsContact SG-CB 3.55Å
324Q94.2Very high89.9Confident133 Ų13350 Ų5062%0.62128%0.279SS*.  trans57.418.6-179.7-58.5-62.4-33.800114.4C320 P321 A326C320-Q324 WeakPolarHBondContact O-CA 3.31Å; C320-Q324 PolarHBondContact O-N 3.19Å; P321-Q324 PolarHBondContact O-NE2 2.63Å; Q324-A326 PolarHBondContact O-N 3.38Å
325Y95.4Very high90.8Very high60 Ų6049.6 Ų49.624%0.23527%0.27CS..  trans-75.8119.3176.8-174.6-122.1000110.3P301 R302 C320 C323 F327 G334P301-Y325 HydrophobicContact CG-CD1 4.13Å; P301-Y325 HydrophobicContact CG-CE1 3.75Å; R302-Y325 HydrophobicContact CG-CD1 4Å; R302-Y325 HydrophobicContact CG-CE1 4.4Å; R302-Y325 HydrophobicContact CG-CG 4.33Å; R302-Y325 VanDerWaalsContact NE-CG 3.28Å; R302-Y325 VanDerWaalsContact NH2-CD2 3.34Å; C320-Y325 PolarHBondContact N-O 3.43Å; C323-Y325 PolarHBondContact O-N 3.28Å; C323-Y325 VanDerWaalsContact SG-CB 3.55Å; Y325-F327 HydrophobicContact CD1-CB 4.01Å; Y325-F327 HydrophobicContact CD1-CD1 4.12Å; Y325-F327 HydrophobicContact CD1-CG 4.45Å; Y325-F327 HydrophobicContact CE1-CB 3.69Å; Y325-F327 HydrophobicContact CE1-CG 4.49Å; Y325-F327 WeakPolarHBondContact O-CD1 3.3Å; Y325-G334 WeakPolarHBondContact OH-CA 3.46Å; Y325-G334 PolarHBondContact OH-N 2.84Å; Y325-G334 VanDerWaalsContact OH-N 3.09Å
326A94.4Very high91.2Very high38 Ų3849.4 Ų49.431%0.31427%0.266SS..EExtended strand (participates in β ladder)trans-88.9121.4172.300000110.5G318 I319 Q324 Y335G318-A326 CarbonylContact O-C 3.53Å; G318-A326 WeakPolarHBondContact O-CA 3.38Å; I319-A326 HydrophobicContact CG1-CB 4.35Å; Q324-A326 PolarHBondContact O-N 3.38Å; A326-Y335 PolarHBondContact O-N 3.17Å; A326-Y335 VanDerWaalsContact O-N 3.1Å
327F93.4Very high91.2Very high0 Ų049.7 Ų49.70%027%0.273CS..EExtended strand (participates in β ladder)trans-134158.4-174.963.1-82.9000112.7V298 P301 V309 G318 Y325 R333V298-F327 HydrophobicContact CG2-CE2 3.86Å; V298-F327 HydrophobicContact CG2-CZ 3.81Å; P301-F327 HydrophobicContact CG-CB 3.96Å; P301-F327 HydrophobicContact CG-CD1 4.33Å; P301-F327 HydrophobicContact CG-CD2 4Å; P301-F327 HydrophobicContact CG-CG 3.84Å; V309-F327 HydrophobicContact CB-CZ 4.33Å; V309-F327 HydrophobicContact CG2-CE1 4.17Å; V309-F327 HydrophobicContact CG2-CZ 4.17Å; G318-F327 PolarHBondContact N-O 3.4Å; G318-F327 VanDerWaalsContact O-CD1 3.27Å; G318-F327 WeakPolarHBondContact O-CD1 3.01Å; G318-F327 PolarHBondContact O-N 2.87Å; Y325-F327 HydrophobicContact CD1-CB 4.01Å; Y325-F327 HydrophobicContact CD1-CD1 4.12Å; Y325-F327 HydrophobicContact CD1-CG 4.45Å; Y325-F327 HydrophobicContact CE1-CB 3.69Å; Y325-F327 HydrophobicContact CE1-CG 4.49Å; Y325-F327 WeakPolarHBondContact O-CD1 3.3Å; F327-R333 CarbonylContact C-O 3.16Å; F327-R333 WeakPolarHBondContact CA-O 3.39Å; F327-R333 WeakPolarHBondContact CB-O 3.29Å
328C90.8Very high90.7Very high0 Ų055.1 Ų55.10%030%0.303CS..EExtended strand (participates in β ladder)trans-81.4127172.5-179.70000110.1T316 L330 C331 K332 R333 H336T316-C328 CarbonylContact O-C 3.53Å; T316-C328 WeakPolarHBondContact O-CA 3.49Å; C328-L330 PolarHBondContact O-N 3.01Å; C328-C331 VanDerWaalsContact CB-SG 3.54Å; C328-K332 WeakPolarHBondContact O-CA 3.45Å; C328-K332 PolarHBondContact O-N 3.28Å; C328-R333 PolarHBondContact N-O 3.11Å; C328-H336 PolarHBondContact SG-NE2 3.39Å; C328-H336 VanDerWaalsContact SG-NE2 3.36Å
329T87.7Confident90Very high1 Ų158.6 Ų58.61%0.00633%0.327CS..THydrogen-bonded Turntrans-68.3-20.5-178.557.40000113.5V298 V311 T316 K332V298-T329 HydrophobicContact CG2-CG2 4.37Å; V311-T329 HydrophobicContact CG1-CG2 4Å; V311-T329 HydrophobicContact CG2-CG2 4.01Å; T316-T329 WeakPolarHBondContact CA-OG1 3.25Å; T316-T329 PolarHBondContact O-N 2.81Å; T329-K332 VanDerWaalsContact O-CE 3.31Å; T329-K332 WeakPolarHBondContact O-CE 3.23Å; T329-K332 PolarHBondContact O-NZ 3.04Å
330L86.1Confident89.3Confident34 Ų3461.5 Ų61.518%0.17834%0.338CS..THydrogen-bonded Turntrans-82.9-68.3174.9-63.2172.2000112.2T316 C328 K332 F370 V374T316-L330 HydrophobicContact CG2-CD1 4.13Å; T316-L330 HydrophobicContact CG2-CG 4.48Å; C328-L330 PolarHBondContact O-N 3.01Å; L330-K332 VanDerWaalsContact C-N 3.32Å; L330-K332 PolarHBondContact O-N 3.31Å; L330-F370 HydrophobicContact CD2-CB 4.27Å; L330-F370 HydrophobicContact CD2-CD1 3.65Å; L330-F370 HydrophobicContact CD2-CE1 4.34Å; L330-F370 HydrophobicContact CD2-CG 4.24Å; L330-V374 HydrophobicContact CD1-CG1 3.17Å; L330-V374 HydrophobicContact CD2-CG1 3.65Å; L330-V374 HydrophobicContact CG-CG1 3.74Å
331C87.6Confident88.7Confident11 Ų1162.9 Ų62.97%0.07435%0.347CS..THydrogen-bonded Turntrans-84-4.8-173.568.50000114.2C328 R333 C341 V343C328-C331 VanDerWaalsContact CB-SG 3.54Å; C331-R333 PolarHBondContact O-N 2.96Å; C331-C341 VanDerWaalsContact SG-SG 3.66Å; C331-V343 HydrophobicContact CB-CG2 3.97Å
332K88.9Confident88.2Confident78 Ų7864.9 Ų64.934%0.33935%0.348SS..  trans58.512.4-178.5-51.7-55.2-173.6-170.10115P301 C328 T329 L330P301-K332 HydrophobicContact CB-CB 3.92Å; P301-K332 WeakPolarHBondContact CB-O 3.41Å; P301-K332 HydrophobicContact CG-CB 4.5Å; P301-K332 VanDerWaalsContact CG-O 3.25Å; P301-K332 WeakPolarHBondContact CG-O 3Å; C328-K332 WeakPolarHBondContact O-CA 3.45Å; C328-K332 PolarHBondContact O-N 3.28Å; T329-K332 VanDerWaalsContact O-CE 3.31Å; T329-K332 WeakPolarHBondContact O-CE 3.23Å; T329-K332 PolarHBondContact O-NZ 3.04Å; L330-K332 VanDerWaalsContact C-N 3.32Å; L330-K332 PolarHBondContact O-N 3.31Å
333R90.4Very high87.8Confident119 Ų11963.1 Ų63.145%0.44933%0.33SS..SBendtrans-93.9177.8174.3-61.6175.7-171.9-178.43.8110.9F327 C328 C331 Y335 K342F327-R333 CarbonylContact C-O 3.16Å; F327-R333 WeakPolarHBondContact CA-O 3.39Å; F327-R333 WeakPolarHBondContact CB-O 3.29Å; C328-R333 PolarHBondContact N-O 3.11Å; C331-R333 PolarHBondContact O-N 2.96Å; R333-Y335 PolarHBondContact O-N 3.36Å; R333-K342 PolarHBondContact NH1-O 2.92Å
334G91.6Very high87.3Confident36 Ų3663.3 Ų63.337%0.37133%0.33SS..BIsolated β-bridgetrans-52.3138.3175.800000111.5Y325 H336Y325-G334 WeakPolarHBondContact OH-CA 3.46Å; Y325-G334 PolarHBondContact OH-N 2.84Å; Y325-G334 VanDerWaalsContact OH-N 3.09Å; G334-H336 PolarHBondContact O-N 3.33Å
335Y91.9Very high86.8Confident97 Ų9758.6 Ų58.638%0.3831%0.313SS..  trans-59.5133.7-178.4-178.8-108.7000111M317 A326 R333M317-Y335 HydrophobicContact CB-CD2 3.7Å; M317-Y335 HydrophobicContact CB-CE1 4.48Å; M317-Y335 HydrophobicContact CB-CE2 3.46Å; M317-Y335 VanDerWaalsContact CB-CE2 3.46Å; M317-Y335 HydrophobicContact CB-CG 4.31Å; M317-Y335 HydrophobicContact CG-CD1 4.07Å; M317-Y335 HydrophobicContact CG-CD2 3.72Å; M317-Y335 HydrophobicContact CG-CE1 4.2Å; M317-Y335 HydrophobicContact CG-CE2 3.88Å; M317-Y335 HydrophobicContact CG-CG 3.81Å; M317-Y335 HydrophobicContact SD-CD1 3.7Å; M317-Y335 HydrophobicContact SD-CD2 4.38Å; M317-Y335 HydrophobicContact SD-CE1 3.59Å; M317-Y335 VanDerWaalsContact SD-CE1 3.59Å; M317-Y335 HydrophobicContact SD-CE2 4.3Å; M317-Y335 HydrophobicContact SD-CG 4.08Å; A326-Y335 PolarHBondContact O-N 3.17Å; A326-Y335 VanDerWaalsContact O-N 3.1Å; R333-Y335 PolarHBondContact O-N 3.36Å
336H88.1Confident86.3Confident45 Ų4561 Ų6121%0.20833%0.33CS..  trans-123.58-169.355.270.4000114C328 G334 L338 S339 C341C328-H336 PolarHBondContact SG-NE2 3.39Å; C328-H336 VanDerWaalsContact SG-NE2 3.36Å; G334-H336 PolarHBondContact O-N 3.33Å; H336-L338 PolarHBondContact O-N 2.78Å; H336-S339 PolarHBondContact ND1-O 2.89Å; H336-S339 VanDerWaalsContact O-CB 3.25Å; H336-S339 WeakPolarHBondContact O-CB 3.31Å; H336-S339 PolarHBondContact O-N 3.4Å; H336-S339 PolarHBondContact O-OG 3.21Å; H336-S339 VanDerWaalsContact O-OG 3.11Å; H336-C341 VanDerWaalsContact CE1-CA 3.45Å; H336-C341 WeakPolarHBondContact CE1-CA 3.43Å; H336-C341 PolarHBondContact NE2-SG 3.44Å
337G84.3Confident85.9Confident30 Ų3063.6 Ų63.631%0.30934%0.336SS..THydrogen-bonded Turntrans56.2-123.717700000112.8S339G337-S339 VanDerWaalsContact C-N 3.31Å
338L78.8Confident85.6Confident189 Ų18963.8 Ų63.899%0.9934%0.337SS*.THydrogen-bonded Turntrans-80.3-7.3179.4-60.1177.2000114.1H336H336-L338 PolarHBondContact O-N 2.78Å
339S78.2Confident85.4Confident74 Ų7467.1 Ų67.152%0.51735%0.35SS..SBendtrans-67.4154178.1-50.60000110.6H336 G337 C341H336-S339 PolarHBondContact ND1-O 2.89Å; H336-S339 VanDerWaalsContact O-CB 3.25Å; H336-S339 WeakPolarHBondContact O-CB 3.31Å; H336-S339 PolarHBondContact O-N 3.4Å; H336-S339 PolarHBondContact O-OG 3.21Å; H336-S339 VanDerWaalsContact O-OG 3.11Å; G337-S339 VanDerWaalsContact C-N 3.31Å; S339-C341 PolarHBondContact O-N 3.34Å
340H77.1Confident85.5Confident146 Ų14668.9 Ų68.968%0.67637%0.368SS*.PPolyproline II helixtrans-55.7130.7177.654.2-91.9000111.1K342H340-K342 PolarHBondContact O-N 3.12Å
341C83.1Confident85.6Confident29 Ų2968.5 Ų68.520%0.19637%0.366CS..PPolyproline II helixtrans-68.9128.1176.2-162.40000108.8C331 H336 S339 V343C331-C341 VanDerWaalsContact SG-SG 3.66Å; H336-C341 VanDerWaalsContact CE1-CA 3.45Å; H336-C341 WeakPolarHBondContact CE1-CA 3.43Å; H336-C341 PolarHBondContact NE2-SG 3.44Å; S339-C341 PolarHBondContact O-N 3.34Å; C341-V343 HydrophobicContact CB-CG2 4.12Å; C341-V343 PolarHBondContact O-N 3.42Å; C341-V343 WeakPolarHBondContact SG-CG2 3.42Å
342K82.5Confident85.7Confident125 Ų12569 Ų6954%0.54337%0.366SS..  trans-86.557.9-178.5-64.8-174.5178.1-1790111.4R333 H340R333-K342 PolarHBondContact NH1-O 2.92Å; H340-K342 PolarHBondContact O-N 3.12Å
343V83.6Confident85.9Confident30 Ų3069.3 Ų69.318%0.18237%0.371CS..  trans-85137.2172.4-166.60000108.9C331 C341 E347 L348C331-V343 HydrophobicContact CB-CG2 3.97Å; C341-V343 HydrophobicContact CB-CG2 4.12Å; C341-V343 PolarHBondContact O-N 3.42Å; C341-V343 WeakPolarHBondContact SG-CG2 3.42Å; V343-E347 HydrophobicContact CG1-CB 3.46Å; V343-E347 VanDerWaalsContact CG1-CB 3.46Å; V343-L348 HydrophobicContact CB-CD1 4.48Å; V343-L348 HydrophobicContact CB-CD2 4.02Å; V343-L348 HydrophobicContact CB-CG 3.94Å; V343-L348 HydrophobicContact CG1-CD2 3.77Å; V343-L348 HydrophobicContact CG1-CG 3.64Å; V343-L348 HydrophobicContact CG2-CD2 4.44Å
344T84.6Confident86Confident54 Ų5469 Ų6933%0.33138%0.375SS..  trans-74.7162.6-176.460.40000113.4D346 E347 L348 R385T344-D346 PolarHBondContact O-N 2.96Å; T344-E347 WeakPolarHBondContact CB-OE2 3.46Å; T344-E347 WeakPolarHBondContact CG2-OE2 3.27Å; T344-E347 PolarHBondContact N-OE2 2.93Å; T344-E347 WeakPolarHBondContact OG1-CB 3.44Å; T344-E347 WeakPolarHBondContact OG1-CG 3.05Å; T344-E347 PolarHBondContact OG1-N 3.48Å; T344-E347 PolarHBondContact OG1-OE2 3.17Å; T344-L348 PolarHBondContact O-N 3.25Å; T344-R385 VanDerWaalsContact C-NH2 3.33Å; T344-R385 PolarHBondContact O-NH2 2.89Å
345A83.9Confident85.9Confident34 Ų3468.9 Ų68.928%0.28136%0.364SS..Hα-helixtrans-2.2-83.4141.800000116R385A345-R385 VanDerWaalsContact N-NH2 3.1Å; A345-R385 PolarHBondContact O-NH2 2.66Å
346D85.4Confident85.9Confident110 Ų11068.4 Ų68.459%0.58837%0.367SS*.Hα-helixtrans-81.6-34.3-164.6-55.6-61.7000112T344 L348 R349 G350T344-D346 PolarHBondContact O-N 2.96Å; D346-L348 PolarHBondContact O-N 3.01Å; D346-R349 PolarHBondContact O-N 3.26Å; D346-R349 IonicContact OD1-CZ 3.63Å; D346-R349 IonicContact OD1-NE 3.03Å; D346-R349 IonicContact OD1-NH2 2.96Å; D346-R349 PolarHBondContact OD1-NH2 2.82Å; D346-G350 PolarHBondContact O-N 2.92Å
347E86.3Confident86.1Confident94 Ų9470.9 Ų70.944%0.43939%0.389SS..Hα-helixtrans-63.1-40.3178-73.8163.9160.800112.2V343 T344 L351V343-E347 HydrophobicContact CG1-CB 3.46Å; V343-E347 VanDerWaalsContact CG1-CB 3.46Å; T344-E347 WeakPolarHBondContact CB-OE2 3.46Å; T344-E347 WeakPolarHBondContact CG2-OE2 3.27Å; T344-E347 PolarHBondContact N-OE2 2.93Å; T344-E347 WeakPolarHBondContact OG1-CB 3.44Å; T344-E347 WeakPolarHBondContact OG1-CG 3.05Å; T344-E347 PolarHBondContact OG1-N 3.48Å; T344-E347 PolarHBondContact OG1-OE2 3.17Å; E347-L351 WeakPolarHBondContact O-CB 3.23Å; E347-L351 PolarHBondContact O-N 3.3Å
348L86.4Confident86.5Confident4 Ų470.5 Ų70.52%0.02138%0.383CS..Hα-helixtrans-67.8-38.1175.3-75.2179.6000112.1V343 T344 D346 R352 A378 E381V343-L348 HydrophobicContact CB-CD1 4.48Å; V343-L348 HydrophobicContact CB-CD2 4.02Å; V343-L348 HydrophobicContact CB-CG 3.94Å; V343-L348 HydrophobicContact CG1-CD2 3.77Å; V343-L348 HydrophobicContact CG1-CG 3.64Å; V343-L348 HydrophobicContact CG2-CD2 4.44Å; T344-L348 PolarHBondContact O-N 3.25Å; D346-L348 PolarHBondContact O-N 3.01Å; L348-R352 WeakPolarHBondContact O-CB 3.45Å; L348-R352 PolarHBondContact O-N 3.4Å; L348-A378 HydrophobicContact CD2-CB 3.9Å; L348-E381 HydrophobicContact CD1-CG 4.08Å
349R87.4Confident87.2Confident70 Ų7064.7 Ų64.726%0.26436%0.359SS..Hα-helixtrans-65.7-46.5175.6-72.4-163.2-78-96.4-1.2111.5D346 L351 R352 D353 D386D346-R349 PolarHBondContact O-N 3.26Å; D346-R349 IonicContact OD1-CZ 3.63Å; D346-R349 IonicContact OD1-NE 3.03Å; D346-R349 IonicContact OD1-NH2 2.96Å; D346-R349 PolarHBondContact OD1-NH2 2.82Å; R349-L351 VanDerWaalsContact C-N 3.33Å; R349-L351 PolarHBondContact O-N 3.3Å; R349-R352 WeakPolarHBondContact O-CB 3.32Å; R349-R352 PolarHBondContact O-N 3.03Å; R349-R352 VanDerWaalsContact O-N 3.16Å; R349-D353 WeakPolarHBondContact O-CB 3.47Å; R349-D353 PolarHBondContact O-N 2.94Å; R349-D386 IonicContact NH1-OD1 2.72Å; R349-D386 PolarHBondContact NH1-OD1 2.8Å; R349-D386 VanDerWaalsContact NH1-OD1 3.08Å
350G89.3Confident87.9Confident37 Ų3764.8 Ų64.838%0.38136%0.364SS..Hα-helixtrans-57.3-46.5176.300000111.9D346 R352 D353 E354D346-G350 PolarHBondContact O-N 2.92Å; G350-R352 VanDerWaalsContact C-N 3.34Å; G350-R352 PolarHBondContact O-N 3.27Å; G350-D353 PolarHBondContact O-N 3.17Å; G350-E354 VanDerWaalsContact O-CB 3.31Å; G350-E354 WeakPolarHBondContact O-CB 3.49Å; G350-E354 PolarHBondContact O-N 3.03Å
351L87.6Confident88.5Confident26 Ų2664.5 Ų64.514%0.13636%0.363CS..Hα-helixtrans-62-40.7176.7-176.366.6000112.3E347 R349 Y355 M366 F370 I375 A378E347-L351 WeakPolarHBondContact O-CB 3.23Å; E347-L351 PolarHBondContact O-N 3.3Å; R349-L351 VanDerWaalsContact C-N 3.33Å; R349-L351 PolarHBondContact O-N 3.3Å; L351-Y355 VanDerWaalsContact O-CB 3.28Å; L351-Y355 WeakPolarHBondContact O-CB 3.45Å; L351-Y355 PolarHBondContact O-N 2.86Å; L351-M366 HydrophobicContact CD1-CE 3.78Å; L351-F370 HydrophobicContact CD1-CE2 4.29Å; L351-I375 HydrophobicContact CD1-CD1 4.33Å; L351-A378 HydrophobicContact CD2-CB 3.85Å
352R91.3Very high88.7Confident22 Ų2264.2 Ų64.28%0.08337%0.365CS..Hα-helixtrans-61.9-51175.1167.9-168.965.9-162.4-5.2111.4L348 R349 G350 E354 Y355 I356 V379 S382 F383 D386L348-R352 WeakPolarHBondContact O-CB 3.45Å; L348-R352 PolarHBondContact O-N 3.4Å; R349-R352 WeakPolarHBondContact O-CB 3.32Å; R349-R352 PolarHBondContact O-N 3.03Å; R349-R352 VanDerWaalsContact O-N 3.16Å; G350-R352 VanDerWaalsContact C-N 3.34Å; G350-R352 PolarHBondContact O-N 3.27Å; R352-E354 VanDerWaalsContact C-N 3.32Å; R352-E354 PolarHBondContact O-N 3.3Å; R352-Y355 PolarHBondContact O-N 3.41Å; R352-I356 HydrophobicContact CG-CD1 3.5Å; R352-I356 HydrophobicContact CG-CG1 4.27Å; R352-I356 WeakPolarHBondContact O-CB 3.43Å; R352-I356 VanDerWaalsContact O-CG1 3.3Å; R352-I356 WeakPolarHBondContact O-CG1 3.33Å; R352-I356 PolarHBondContact O-N 2.92Å; R352-V379 HydrophobicContact CB-CG2 4.45Å; R352-V379 HydrophobicContact CG-CG1 4.21Å; R352-S382 PolarHBondContact NH1-OG 3.4Å; R352-F383 HydrophobicContact CG-CE2 4.11Å; R352-F383 HydrophobicContact CG-CZ 4.2Å; R352-D386 IonicContact CZ-OD2 3.27Å; R352-D386 VanDerWaalsContact CZ-OD2 3.27Å; R352-D386 IonicContact NH1-OD2 2.66Å; R352-D386 PolarHBondContact NH1-OD2 3.48Å; R352-D386 IonicContact NH2-OD2 2.99Å; R352-D386 PolarHBondContact NH2-OD2 3.2Å
353D92.4Very high89.1Confident84 Ų8461.6 Ų61.645%0.44935%0.353SS..Hα-helixtrans-66.8-39.7-172.6-60.1-13.1000110R349 G350 S357R349-D353 WeakPolarHBondContact O-CB 3.47Å; R349-D353 PolarHBondContact O-N 2.94Å; G350-D353 PolarHBondContact O-N 3.17Å; D353-S357 VanDerWaalsContact O-CB 3.26Å; D353-S357 WeakPolarHBondContact O-CB 3.36Å; D353-S357 PolarHBondContact O-N 3.26Å; D353-S357 PolarHBondContact O-OG 3.41Å
354E91.8Very high89.4Confident114 Ų11466.4 Ų66.453%0.53337%0.372SS..Hα-helixtrans-59.8-48.7170.9-170.7-179.7-173.100111.5G350 R352 I356 S357 A358 M366G350-E354 VanDerWaalsContact O-CB 3.31Å; G350-E354 WeakPolarHBondContact O-CB 3.49Å; G350-E354 PolarHBondContact O-N 3.03Å; R352-E354 VanDerWaalsContact C-N 3.32Å; R352-E354 PolarHBondContact O-N 3.3Å; E354-I356 PolarHBondContact O-N 3.41Å; E354-S357 PolarHBondContact O-N 3.07Å; E354-S357 PolarHBondContact O-OG 3.18Å; E354-A358 VanDerWaalsContact O-CB 3.28Å; E354-A358 WeakPolarHBondContact O-CB 3.41Å; E354-A358 PolarHBondContact O-N 3.09Å; E354-M366 HydrophobicContact CB-CE 4.11Å; E354-M366 HydrophobicContact CG-CE 3.69Å; E354-M366 HydrophobicContact CG-SD 4.1Å
355Y91.2Very high89.5Confident33 Ų3366.9 Ų66.913%0.12937%0.369CS..Hα-helixtrans-64.8-40.9-179.5-175.5-104.9000113.1L351 R352 K363 M366 E367 I375 V379L351-Y355 VanDerWaalsContact O-CB 3.28Å; L351-Y355 WeakPolarHBondContact O-CB 3.45Å; L351-Y355 PolarHBondContact O-N 2.86Å; R352-Y355 PolarHBondContact O-N 3.41Å; Y355-K363 HydrophobicContact CD2-CG 4.3Å; Y355-K363 HydrophobicContact CE2-CB 4.08Å; Y355-K363 HydrophobicContact CE2-CG 4.05Å; Y355-K363 WeakPolarHBondContact O-CE 3.27Å; Y355-K363 WeakPolarHBondContact O-CG 3.47Å; Y355-M366 HydrophobicContact CD2-CB 4.25Å; Y355-M366 HydrophobicContact CD2-SD 4.06Å; Y355-E367 HydrophobicContact CE2-CG 4.12Å; Y355-E367 PolarHBondContact OH-OE1 3.41Å; Y355-E367 VanDerWaalsContact OH-OE1 3.08Å; Y355-I375 HydrophobicContact CD2-CD1 3.35Å; Y355-I375 HydrophobicContact CD2-CG1 3.94Å; Y355-I375 HydrophobicContact CE2-CD1 3.88Å; Y355-I375 HydrophobicContact CE2-CG1 4.31Å; Y355-I375 HydrophobicContact CE2-CG2 4.2Å; Y355-I375 HydrophobicContact CG-CD1 3.97Å; Y355-I375 HydrophobicContact CG-CG1 4.21Å; Y355-V379 HydrophobicContact CD1-CG2 3.95Å; Y355-V379 HydrophobicContact CG-CG2 4.33Å
356I90.8Very high89.6Confident86 Ų8665.8 Ų65.844%0.44136%0.359SS..Hα-helixtrans-69.2-43.1-179.1-69.4172.8000110.8R352 E354 K363 F383R352-I356 HydrophobicContact CG-CD1 3.5Å; R352-I356 HydrophobicContact CG-CG1 4.27Å; R352-I356 WeakPolarHBondContact O-CB 3.43Å; R352-I356 VanDerWaalsContact O-CG1 3.3Å; R352-I356 WeakPolarHBondContact O-CG1 3.33Å; R352-I356 PolarHBondContact O-N 2.92Å; E354-I356 PolarHBondContact O-N 3.41Å; I356-K363 PolarHBondContact O-NZ 3.26Å; I356-F383 HydrophobicContact CD1-CE2 3.91Å; I356-F383 HydrophobicContact CD1-CZ 3.52Å
357S92.3Very high89.8Confident97 Ų9762.5 Ų62.568%0.67834%0.34SS*.Hα-helixtrans-77.7-16.7-177.963.10000114.1D353 E354D353-S357 VanDerWaalsContact O-CB 3.26Å; D353-S357 WeakPolarHBondContact O-CB 3.36Å; D353-S357 PolarHBondContact O-N 3.26Å; D353-S357 PolarHBondContact O-OG 3.41Å; E354-S357 PolarHBondContact O-N 3.07Å; E354-S357 PolarHBondContact O-OG 3.18Å
358A92.3Very high89.8Confident23 Ų2363.1 Ų63.119%0.1934%0.343CS..SBendtrans-64.1149.3178.400000113.8E354 K363E354-A358 VanDerWaalsContact O-CB 3.28Å; E354-A358 WeakPolarHBondContact O-CB 3.41Å; E354-A358 PolarHBondContact O-N 3.09Å; A358-K363 HydrophobicContact CB-CG 3.97Å; A358-K363 VanDerWaalsContact O-CE 3.24Å; A358-K363 WeakPolarHBondContact O-CE 3.46Å; A358-K363 PolarHBondContact O-NZ 3.12Å
359S94.3Very high89.6Confident67 Ų6766.3 Ų66.347%0.46935%0.354SS..  trans-64.2173170.580.40000111.6E361 G362 K363S359-E361 VanDerWaalsContact C-N 3.27Å; S359-E361 WeakPolarHBondContact CB-OE2 3.13Å; S359-E361 PolarHBondContact O-N 3.17Å; S359-E361 PolarHBondContact OG-N 3.41Å; S359-E361 PolarHBondContact OG-OE2 3Å; S359-G362 PolarHBondContact O-N 3.45Å; S359-G362 PolarHBondContact OG-N 3.25Å; S359-G362 VanDerWaalsContact OG-N 3.14Å; S359-K363 WeakPolarHBondContact O-CB 3.38Å; S359-K363 WeakPolarHBondContact O-CG 3.3Å; S359-K363 PolarHBondContact O-N 2.89Å
360A92.3Very high89.4Confident76 Ų7664.4 Ų64.463%0.62835%0.348SS*.Hα-helixtrans-58.9-40.5175.900000112K364A360-K364 PolarHBondContact O-N 2.86Å; A360-K364 VanDerWaalsContact O-N 3.12Å
361E90.2Very high89.1Confident139 Ų13962.7 Ų62.765%0.6533%0.331SS*.Hα-helixtrans-68.1-43.3175.8-55.873.6-156.700111.3S359 K364 F365S359-E361 VanDerWaalsContact C-N 3.27Å; S359-E361 WeakPolarHBondContact CB-OE2 3.13Å; S359-E361 PolarHBondContact O-N 3.17Å; S359-E361 PolarHBondContact OG-N 3.41Å; S359-E361 PolarHBondContact OG-OE2 3Å; E361-K364 PolarHBondContact O-N 3.23Å; E361-F365 PolarHBondContact O-N 3.37Å
362G87.5Confident89Confident24 Ų2466.2 Ų66.225%0.24735%0.345CS..Hα-helixtrans-61.7-43.7177.100000112.5S359 K364 F365 M366S359-G362 PolarHBondContact O-N 3.45Å; S359-G362 PolarHBondContact OG-N 3.25Å; S359-G362 VanDerWaalsContact OG-N 3.14Å; G362-K364 PolarHBondContact O-N 3.14Å; G362-F365 WeakPolarHBondContact O-CB 3.37Å; G362-F365 PolarHBondContact O-N 3.38Å; G362-M366 WeakPolarHBondContact O-CG 3.49Å; G362-M366 PolarHBondContact O-N 2.79Å
363K90.4Very high88.6Confident69 Ų6974.9 Ų74.930%0.338%0.377SS..Hα-helixtrans-59.3-46.5173.9-74.8173.1176.9162.70111.5Y355 I356 A358 S359 F365 M366 E367Y355-K363 HydrophobicContact CD2-CG 4.3Å; Y355-K363 HydrophobicContact CE2-CB 4.08Å; Y355-K363 HydrophobicContact CE2-CG 4.05Å; Y355-K363 WeakPolarHBondContact O-CE 3.27Å; Y355-K363 WeakPolarHBondContact O-CG 3.47Å; I356-K363 PolarHBondContact O-NZ 3.26Å; A358-K363 HydrophobicContact CB-CG 3.97Å; A358-K363 VanDerWaalsContact O-CE 3.24Å; A358-K363 WeakPolarHBondContact O-CE 3.46Å; A358-K363 PolarHBondContact O-NZ 3.12Å; S359-K363 WeakPolarHBondContact O-CB 3.38Å; S359-K363 WeakPolarHBondContact O-CG 3.3Å; S359-K363 PolarHBondContact O-N 2.89Å; K363-F365 VanDerWaalsContact C-N 3.33Å; K363-F365 PolarHBondContact O-N 3.46Å; K363-M366 PolarHBondContact O-N 3.45Å; K363-E367 WeakPolarHBondContact O-CB 3.25Å; K363-E367 WeakPolarHBondContact O-CG 3.25Å; K363-E367 PolarHBondContact O-N 2.98Å
364K89.4Confident88.2Confident131 Ų13171.4 Ų71.457%0.5736%0.359SS*.Hα-helixtrans-61.2-41.9177.2-170.9-179.7179.8-176.20111.8A360 E361 G362 E367 Q368A360-K364 PolarHBondContact O-N 2.86Å; A360-K364 VanDerWaalsContact O-N 3.12Å; E361-K364 PolarHBondContact O-N 3.23Å; G362-K364 PolarHBondContact O-N 3.14Å; K364-E367 PolarHBondContact O-N 3.16Å; K364-Q368 WeakPolarHBondContact O-CB 3.42Å; K364-Q368 VanDerWaalsContact O-CG 3.27Å; K364-Q368 WeakPolarHBondContact O-CG 3.28Å; K364-Q368 PolarHBondContact O-N 3.24Å
365F87Confident87.9Confident64 Ų6466 Ų6628%0.28133%0.334SS..Hα-helixtrans-61.6-45.4175.5-179.9-96.4000111.7A295 E361 G362 K363 Q368 R369A295-F365 HydrophobicContact CB-CD2 4.04Å; A295-F365 HydrophobicContact CB-CE2 3.93Å; E361-F365 PolarHBondContact O-N 3.37Å; G362-F365 WeakPolarHBondContact O-CB 3.37Å; G362-F365 PolarHBondContact O-N 3.38Å; K363-F365 VanDerWaalsContact C-N 3.33Å; K363-F365 PolarHBondContact O-N 3.46Å; F365-Q368 PolarHBondContact O-N 2.99Å; F365-R369 WeakPolarHBondContact O-CB 3.31Å; F365-R369 PolarHBondContact O-N 2.98Å
366M86Confident87.8Confident11 Ų1168 Ų685%0.05434%0.344CS..Hα-helixtrans-65.9-40.4176.9-65.1-176.990.600112.6L351 E354 Y355 G362 K363 Q368 R369 F370 I375L351-M366 HydrophobicContact CD1-CE 3.78Å; E354-M366 HydrophobicContact CB-CE 4.11Å; E354-M366 HydrophobicContact CG-CE 3.69Å; E354-M366 HydrophobicContact CG-SD 4.1Å; Y355-M366 HydrophobicContact CD2-CB 4.25Å; Y355-M366 HydrophobicContact CD2-SD 4.06Å; G362-M366 WeakPolarHBondContact O-CG 3.49Å; G362-M366 PolarHBondContact O-N 2.79Å; K363-M366 PolarHBondContact O-N 3.45Å; M366-Q368 VanDerWaalsContact C-N 3.32Å; M366-Q368 PolarHBondContact O-N 3.21Å; M366-R369 PolarHBondContact O-N 3.49Å; M366-F370 WeakPolarHBondContact O-CD2 3.28Å; M366-F370 PolarHBondContact O-N 3.27Å; M366-I375 HydrophobicContact CB-CD1 3.65Å; M366-I375 HydrophobicContact CE-CD1 4.11Å; M366-I375 HydrophobicContact SD-CD1 4.4Å
367E89.3Confident87.6Confident42 Ų4270.7 Ų70.720%0.19635%0.349CS..Hα-helixtrans-61.5-39.3174-74.7-174.215900111.7Y355 K363 K364 G371 K372 I375Y355-E367 HydrophobicContact CE2-CG 4.12Å; Y355-E367 PolarHBondContact OH-OE1 3.41Å; Y355-E367 VanDerWaalsContact OH-OE1 3.08Å; K363-E367 WeakPolarHBondContact O-CB 3.25Å; K363-E367 WeakPolarHBondContact O-CG 3.25Å; K363-E367 PolarHBondContact O-N 2.98Å; K364-E367 PolarHBondContact O-N 3.16Å; E367-G371 CarbonylContact O-C 3.56Å; E367-G371 WeakPolarHBondContact O-CA 3.43Å; E367-G371 PolarHBondContact O-N 3.47Å; E367-K372 HydrophobicContact CB-CB 4.19Å; E367-K372 HydrophobicContact CG-CB 4.22Å; E367-K372 HydrophobicContact CG-CG 4.14Å; E367-K372 PolarHBondContact O-N 3.44Å; E367-K372 VanDerWaalsContact O-N 3.17Å; E367-K372 WeakPolarHBondContact OE1-CE 3.32Å; E367-K372 IonicContact OE1-NZ 3.84Å; E367-I375 HydrophobicContact CG-CG2 4.13Å
368Q86.1Confident87.3Confident107 Ų10766.4 Ų66.450%0.532%0.32SS..Hα-helixtrans-68-40174.6-73.7173.8-18.100111.7A295 K364 F365 M366A295-Q368 HydrophobicContact CB-CB 3.51Å; K364-Q368 WeakPolarHBondContact O-CB 3.42Å; K364-Q368 VanDerWaalsContact O-CG 3.27Å; K364-Q368 WeakPolarHBondContact O-CG 3.28Å; K364-Q368 PolarHBondContact O-N 3.24Å; F365-Q368 PolarHBondContact O-N 2.99Å; M366-Q368 VanDerWaalsContact C-N 3.32Å; M366-Q368 PolarHBondContact O-N 3.21Å
369R83.6Confident87.1Confident70 Ų7066 Ų6626%0.26432%0.315SS..Hα-helixtrans-72.1-41.9-175.6-176.6172.6-162.6167.512.4114.3A295 F365 M366A295-R369 HydrophobicContact CB-CB 4.34Å; A295-R369 VanDerWaalsContact O-CA 3.23Å; A295-R369 WeakPolarHBondContact O-CA 3.39Å; A295-R369 WeakPolarHBondContact O-CG 3.42Å; F365-R369 WeakPolarHBondContact O-CB 3.31Å; F365-R369 PolarHBondContact O-N 2.98Å; M366-R369 PolarHBondContact O-N 3.49Å
370F82.3Confident86.9Confident31 Ų3168.5 Ų68.514%0.13632%0.319CS..Hα-helixtrans-104-13.8-176.1-64.8-71.9000113.2L330 L351 M366 V374 I375L330-F370 HydrophobicContact CD2-CB 4.27Å; L330-F370 HydrophobicContact CD2-CD1 3.65Å; L330-F370 HydrophobicContact CD2-CE1 4.34Å; L330-F370 HydrophobicContact CD2-CG 4.24Å; L351-F370 HydrophobicContact CD1-CE2 4.29Å; M366-F370 WeakPolarHBondContact O-CD2 3.28Å; M366-F370 PolarHBondContact O-N 3.27Å; F370-V374 VanDerWaalsContact O-CB 3.23Å; F370-V374 WeakPolarHBondContact O-CB 3.35Å; F370-V374 WeakPolarHBondContact O-CG2 3.28Å; F370-I375 HydrophobicContact CD2-CD1 4.32Å
371G83.4Confident86.6Confident1 Ų169.2 Ų69.21%0.0131%0.309CS..  trans87130.9-166.800000110.9D314 E367 R373 V374 I375D314-G371 WeakPolarHBondContact OD1-CA 3.19Å; E367-G371 CarbonylContact O-C 3.56Å; E367-G371 WeakPolarHBondContact O-CA 3.43Å; E367-G371 PolarHBondContact O-N 3.47Å; G371-R373 VanDerWaalsContact C-N 3.34Å; G371-R373 PolarHBondContact O-N 2.79Å; G371-V374 WeakPolarHBondContact O-CB 3.33Å; G371-V374 PolarHBondContact O-N 2.63Å; G371-I375 PolarHBondContact O-N 2.86Å; G371-I375 VanDerWaalsContact O-N 3.09Å
372K85.4Confident86.6Confident100 Ų10062.6 Ų62.644%0.43528%0.278SS..Hα-helixtrans-57.4-45-173.9178.1168.1-174.5164.70112.8E367 V374 I375 Q376E367-K372 HydrophobicContact CB-CB 4.19Å; E367-K372 HydrophobicContact CG-CB 4.22Å; E367-K372 HydrophobicContact CG-CG 4.14Å; E367-K372 PolarHBondContact O-N 3.44Å; E367-K372 VanDerWaalsContact O-N 3.17Å; E367-K372 WeakPolarHBondContact OE1-CE 3.32Å; E367-K372 IonicContact OE1-NZ 3.84Å; K372-V374 VanDerWaalsContact C-N 3.28Å; K372-V374 PolarHBondContact O-N 3.08Å; K372-I375 VanDerWaalsContact O-CG2 3.3Å; K372-I375 WeakPolarHBondContact O-CG2 3.48Å; K372-Q376 WeakPolarHBondContact O-CB 3.47Å; K372-Q376 VanDerWaalsContact O-CG 3.27Å; K372-Q376 WeakPolarHBondContact O-CG 3.33Å; K372-Q376 PolarHBondContact O-N 2.96Å
373R83.1Confident86.6Confident203 Ų20366.5 Ų66.577%0.76629%0.289SS*.Hα-helixtrans-68-31.7-179.7-64.7179.865.5-178.70.9112.3G371 R377G371-R373 VanDerWaalsContact C-N 3.34Å; G371-R373 PolarHBondContact O-N 2.79Å; R373-R377 WeakPolarHBondContact O-CB 3.38Å; R373-R377 PolarHBondContact O-N 3.33Å; R373-R377 VanDerWaalsContact O-N 3.17Å
374V83.4Confident86.5Confident11 Ų1166.5 Ų66.57%0.06730%0.297CS..Hα-helixtrans-72.6-47.2-176.5-179.60000110T316 L330 F370 G371 K372 R377 A378T316-V374 HydrophobicContact CG2-CG1 3.86Å; T316-V374 HydrophobicContact CG2-CG2 3.84Å; L330-V374 HydrophobicContact CD1-CG1 3.17Å; L330-V374 HydrophobicContact CD2-CG1 3.65Å; L330-V374 HydrophobicContact CG-CG1 3.74Å; F370-V374 VanDerWaalsContact O-CB 3.23Å; F370-V374 WeakPolarHBondContact O-CB 3.35Å; F370-V374 WeakPolarHBondContact O-CG2 3.28Å; G371-V374 WeakPolarHBondContact O-CB 3.33Å; G371-V374 PolarHBondContact O-N 2.63Å; K372-V374 VanDerWaalsContact C-N 3.28Å; K372-V374 PolarHBondContact O-N 3.08Å; V374-R377 PolarHBondContact O-N 3.08Å; V374-A378 WeakPolarHBondContact O-CB 3.48Å; V374-A378 PolarHBondContact O-N 2.83Å
375I86.4Confident86.3Confident0 Ų063.7 Ų63.70%028%0.283CS..Hα-helixtrans-66.8-42.8179.1-165.5159.9000111.4L351 Y355 M366 E367 F370 G371 K372 R377 A378 V379L351-I375 HydrophobicContact CD1-CD1 4.33Å; Y355-I375 HydrophobicContact CD2-CD1 3.35Å; Y355-I375 HydrophobicContact CD2-CG1 3.94Å; Y355-I375 HydrophobicContact CE2-CD1 3.88Å; Y355-I375 HydrophobicContact CE2-CG1 4.31Å; Y355-I375 HydrophobicContact CE2-CG2 4.2Å; Y355-I375 HydrophobicContact CG-CD1 3.97Å; Y355-I375 HydrophobicContact CG-CG1 4.21Å; M366-I375 HydrophobicContact CB-CD1 3.65Å; M366-I375 HydrophobicContact CE-CD1 4.11Å; M366-I375 HydrophobicContact SD-CD1 4.4Å; E367-I375 HydrophobicContact CG-CG2 4.13Å; F370-I375 HydrophobicContact CD2-CD1 4.32Å; G371-I375 PolarHBondContact O-N 2.86Å; G371-I375 VanDerWaalsContact O-N 3.09Å; K372-I375 VanDerWaalsContact O-CG2 3.3Å; K372-I375 WeakPolarHBondContact O-CG2 3.48Å; I375-R377 PolarHBondContact O-N 3.11Å; I375-A378 PolarHBondContact O-N 3.47Å; I375-A378 VanDerWaalsContact O-N 3.17Å; I375-V379 HydrophobicContact CG1-CG2 4.42Å; I375-V379 VanDerWaalsContact O-CG2 3.25Å; I375-V379 WeakPolarHBondContact O-CG2 3.37Å; I375-V379 PolarHBondContact O-N 3.45Å
376Q87.8Confident86.3Confident75 Ų7561.9 Ų61.935%0.3528%0.277SS..Hα-helixtrans-57.7-48176.1-74.6177.6-13.400111.8K372 A378 V379 E380K372-Q376 WeakPolarHBondContact O-CB 3.47Å; K372-Q376 VanDerWaalsContact O-CG 3.27Å; K372-Q376 WeakPolarHBondContact O-CG 3.33Å; K372-Q376 PolarHBondContact O-N 2.96Å; Q376-A378 VanDerWaalsContact C-N 3.34Å; Q376-A378 PolarHBondContact O-N 2.96Å; Q376-V379 PolarHBondContact O-N 2.8Å; Q376-E380 WeakPolarHBondContact O-CB 3.43Å; Q376-E380 VanDerWaalsContact O-CG 3.32Å; Q376-E380 WeakPolarHBondContact O-CG 3.3Å; Q376-E380 PolarHBondContact O-N 3.37Å
377R86.4Confident86.3Confident143 Ų14366.7 Ų66.754%0.5429%0.294SS..Hα-helixtrans-61.6-41.2176.7-177-178.661.8-171.7-4.7112.3R373 V374 I375 V379 E380 E381R373-R377 WeakPolarHBondContact O-CB 3.38Å; R373-R377 PolarHBondContact O-N 3.33Å; R373-R377 VanDerWaalsContact O-N 3.17Å; V374-R377 PolarHBondContact O-N 3.08Å; I375-R377 PolarHBondContact O-N 3.11Å; R377-V379 VanDerWaalsContact C-N 3.34Å; R377-E380 PolarHBondContact O-N 3.19Å; R377-E381 VanDerWaalsContact O-CB 3.25Å; R377-E381 WeakPolarHBondContact O-CB 3.48Å; R377-E381 PolarHBondContact O-N 3.41Å
378A86.1Confident86.1Confident7 Ų768.1 Ų68.16%0.05830%0.303CS..Hα-helixtrans-64.7-39.3178.700000111.9L348 L351 V374 I375 Q376 S382L348-A378 HydrophobicContact CD2-CB 3.9Å; L351-A378 HydrophobicContact CD2-CB 3.85Å; V374-A378 WeakPolarHBondContact O-CB 3.48Å; V374-A378 PolarHBondContact O-N 2.83Å; I375-A378 PolarHBondContact O-N 3.47Å; I375-A378 VanDerWaalsContact O-N 3.17Å; Q376-A378 VanDerWaalsContact C-N 3.34Å; Q376-A378 PolarHBondContact O-N 2.96Å; A378-S382 PolarHBondContact O-N 2.87Å
379V89.5Confident86Confident15 Ų1569.2 Ų69.29%0.09131%0.312CS..Hα-helixtrans-64.3-48.7174.5170.80000111R352 Y355 I375 Q376 R377 E381 S382 F383R352-V379 HydrophobicContact CB-CG2 4.45Å; R352-V379 HydrophobicContact CG-CG1 4.21Å; Y355-V379 HydrophobicContact CD1-CG2 3.95Å; Y355-V379 HydrophobicContact CG-CG2 4.33Å; I375-V379 HydrophobicContact CG1-CG2 4.42Å; I375-V379 VanDerWaalsContact O-CG2 3.25Å; I375-V379 WeakPolarHBondContact O-CG2 3.37Å; I375-V379 PolarHBondContact O-N 3.45Å; Q376-V379 PolarHBondContact O-N 2.8Å; R377-V379 VanDerWaalsContact C-N 3.34Å; V379-E381 VanDerWaalsContact C-N 3.34Å; V379-E381 PolarHBondContact O-N 2.82Å; V379-S382 WeakPolarHBondContact O-CB 3.49Å; V379-S382 PolarHBondContact O-N 3.06Å; V379-F383 HydrophobicContact CG1-CD2 3.86Å; V379-F383 HydrophobicContact CG1-CE2 3.64Å; V379-F383 VanDerWaalsContact O-CD2 3.28Å; V379-F383 WeakPolarHBondContact O-CD2 3.33Å; V379-F383 PolarHBondContact O-N 2.89Å
380E88.8Confident86.1Confident119 Ų11973.3 Ų73.356%0.55633%0.334SS*.Hα-helixtrans-60.2-41.7176.7-73.3169-171.900112.2Q376 R377 S382 F383 S384Q376-E380 WeakPolarHBondContact O-CB 3.43Å; Q376-E380 VanDerWaalsContact O-CG 3.32Å; Q376-E380 WeakPolarHBondContact O-CG 3.3Å; Q376-E380 PolarHBondContact O-N 3.37Å; R377-E380 PolarHBondContact O-N 3.19Å; E380-S382 VanDerWaalsContact C-N 3.33Å; E380-F383 PolarHBondContact O-N 3.43Å; E380-S384 WeakPolarHBondContact O-CB 3.24Å; E380-S384 PolarHBondContact O-N 2.91Å; E380-S384 PolarHBondContact O-OG 3.05Å
381E87.2Confident86.3Confident91 Ų9174.8 Ų74.843%0.42534%0.344SS..Hα-helixtrans-63.1-40.1175.7-174.3176.6171.100111.3L348 R377 V379 S384 R385L348-E381 HydrophobicContact CD1-CG 4.08Å; R377-E381 VanDerWaalsContact O-CB 3.25Å; R377-E381 WeakPolarHBondContact O-CB 3.48Å; R377-E381 PolarHBondContact O-N 3.41Å; V379-E381 VanDerWaalsContact C-N 3.34Å; V379-E381 PolarHBondContact O-N 2.82Å; E381-S384 PolarHBondContact O-N 3.3Å; E381-R385 WeakPolarHBondContact O-CB 2.86Å; E381-R385 PolarHBondContact O-N 3.38Å
382S88.8Confident86.6Confident0 Ų075.5 Ų75.50%035%0.348CS..Hα-helixtrans-61.3-48.1174.7-168.30000112R352 A378 V379 E380 R385 D386R352-S382 PolarHBondContact NH1-OG 3.4Å; A378-S382 PolarHBondContact O-N 2.87Å; V379-S382 WeakPolarHBondContact O-CB 3.49Å; V379-S382 PolarHBondContact O-N 3.06Å; E380-S382 VanDerWaalsContact C-N 3.33Å; S382-R385 PolarHBondContact O-N 3.1Å; S382-D386 PolarHBondContact O-N 2.87Å
383F88.4Confident86.8Confident106 Ų10674 Ų7447%0.46534%0.342SS..Hα-helixtrans-63-45.3177.1-79.6-63.8000112.4R352 I356 V379 E380 R385 D386 W387R352-F383 HydrophobicContact CG-CE2 4.11Å; R352-F383 HydrophobicContact CG-CZ 4.2Å; I356-F383 HydrophobicContact CD1-CE2 3.91Å; I356-F383 HydrophobicContact CD1-CZ 3.52Å; V379-F383 HydrophobicContact CG1-CD2 3.86Å; V379-F383 HydrophobicContact CG1-CE2 3.64Å; V379-F383 VanDerWaalsContact O-CD2 3.28Å; V379-F383 WeakPolarHBondContact O-CD2 3.33Å; V379-F383 PolarHBondContact O-N 2.89Å; E380-F383 PolarHBondContact O-N 3.43Å; F383-R385 VanDerWaalsContact C-N 3.26Å; F383-R385 PolarHBondContact O-N 3.34Å; F383-D386 PolarHBondContact O-N 3.47Å; F383-W387 VanDerWaalsContact O-CB 3.31Å; F383-W387 WeakPolarHBondContact O-CB 3.48Å; F383-W387 PolarHBondContact O-N 3.5Å
384S87.9Confident87.1Confident69 Ų6965.8 Ų65.848%0.48332%0.32SS..Hα-helixtrans-59.2-40.5178.6-600000111.2E380 E381 L388E380-S384 WeakPolarHBondContact O-CB 3.24Å; E380-S384 PolarHBondContact O-N 2.91Å; E380-S384 PolarHBondContact O-OG 3.05Å; E381-S384 PolarHBondContact O-N 3.3Å; S384-L388 WeakPolarHBondContact O-CB 3.48Å; S384-L388 WeakPolarHBondContact O-CG 3.25Å; S384-L388 PolarHBondContact O-N 3.49Å
385R85.9Confident87.5Confident72 Ų7265.4 Ų65.427%0.27232%0.318SS..Hα-helixtrans-70.9-43.5-179.8-168167.765.8-172-7.1112.9T344 A345 E381 S382 F383 L388 N389T344-R385 VanDerWaalsContact C-NH2 3.33Å; T344-R385 PolarHBondContact O-NH2 2.89Å; A345-R385 VanDerWaalsContact N-NH2 3.1Å; A345-R385 PolarHBondContact O-NH2 2.66Å; E381-R385 WeakPolarHBondContact O-CB 2.86Å; E381-R385 PolarHBondContact O-N 3.38Å; S382-R385 PolarHBondContact O-N 3.1Å; F383-R385 VanDerWaalsContact C-N 3.26Å; F383-R385 PolarHBondContact O-N 3.34Å; R385-L388 PolarHBondContact O-N 3.38Å; R385-N389 PolarHBondContact O-N 3.31Å; R385-N389 VanDerWaalsContact O-N 3.1Å
386D86.6Confident87.8Confident27 Ų2767.6 Ų67.614%0.14433%0.332CS..Hα-helixtrans-64.7-43176.3-73.3-13.6000110.3R349 R352 S382 F383 L388 N389 E390R349-D386 IonicContact NH1-OD1 2.72Å; R349-D386 PolarHBondContact NH1-OD1 2.8Å; R349-D386 VanDerWaalsContact NH1-OD1 3.08Å; R352-D386 IonicContact CZ-OD2 3.27Å; R352-D386 VanDerWaalsContact CZ-OD2 3.27Å; R352-D386 IonicContact NH1-OD2 2.66Å; R352-D386 PolarHBondContact NH1-OD2 3.48Å; R352-D386 IonicContact NH2-OD2 2.99Å; R352-D386 PolarHBondContact NH2-OD2 3.2Å; S382-D386 PolarHBondContact O-N 2.87Å; F383-D386 PolarHBondContact O-N 3.47Å; D386-L388 PolarHBondContact O-N 3.44Å; D386-N389 WeakPolarHBondContact O-CB 3.22Å; D386-N389 PolarHBondContact O-N 3.02Å; D386-N389 VanDerWaalsContact O-N 3.08Å; D386-E390 WeakPolarHBondContact O-CG 3.42Å; D386-E390 PolarHBondContact O-N 2.89Å
387W86.6Confident88Confident112 Ų11271 Ų7142%0.42434%0.342SS..Hα-helixtrans-58.5-44.9175.3-173.892.5000112.4F383 N389 E390 N391 C392F383-W387 VanDerWaalsContact O-CB 3.31Å; F383-W387 WeakPolarHBondContact O-CB 3.48Å; F383-W387 PolarHBondContact O-N 3.5Å; W387-N389 VanDerWaalsContact C-N 3.27Å; W387-N389 PolarHBondContact O-N 3.04Å; W387-E390 PolarHBondContact O-N 3.36Å; W387-N391 HydrophobicContact CD2-CB 4.11Å; W387-N391 HydrophobicContact CE3-CB 4.37Å; W387-N391 HydrophobicContact CH2-CB 4.11Å; W387-N391 HydrophobicContact CZ2-CB 3.82Å; W387-N391 HydrophobicContact CZ3-CB 4.37Å; W387-N391 PolarHBondContact NE1-ND2 3.31Å; W387-N391 WeakPolarHBondContact O-CB 3.26Å; W387-N391 PolarHBondContact O-N 2.99Å; W387-N391 PolarHBondContact O-ND2 2.66Å; W387-C392 VanDerWaalsContact CZ3-SG 3.57Å
388L85.7Confident88.2Confident71 Ų7166.8 Ų66.837%0.37233%0.334SS..Hα-helixtrans-62.4-34.1176.7-76.9170.7000112.5S384 R385 D386 C392 N401S384-L388 WeakPolarHBondContact O-CB 3.48Å; S384-L388 WeakPolarHBondContact O-CG 3.25Å; S384-L388 PolarHBondContact O-N 3.49Å; R385-L388 PolarHBondContact O-N 3.38Å; D386-L388 PolarHBondContact O-N 3.44Å; L388-C392 VanDerWaalsContact O-CB 3.25Å; L388-C392 WeakPolarHBondContact O-CB 3.33Å; L388-C392 PolarHBondContact O-N 3.22Å; L388-N401 HydrophobicContact CD2-CB 4.49Å
389N83.8Confident88.3Confident131 Ų13168.8 Ų68.870%0.70136%0.355SS*.Hα-helixtrans-74-35.2179.5-168.942000112.2R385 D386 W387R385-N389 PolarHBondContact O-N 3.31Å; R385-N389 VanDerWaalsContact O-N 3.1Å; D386-N389 WeakPolarHBondContact O-CB 3.22Å; D386-N389 PolarHBondContact O-N 3.02Å; D386-N389 VanDerWaalsContact O-N 3.08Å; W387-N389 VanDerWaalsContact C-N 3.27Å; W387-N389 PolarHBondContact O-N 3.04Å
390E85.1Confident88.4Confident155 Ų15570.2 Ų70.272%0.72436%0.364SS*.Hα-helixtrans-82.8-38.7-178.7-69.6174-178.700112.8D386 W387D386-E390 WeakPolarHBondContact O-CG 3.42Å; D386-E390 PolarHBondContact O-N 2.89Å; W387-E390 PolarHBondContact O-N 3.36Å
391N85.8Confident88.5Confident62 Ų6268.8 Ų68.833%0.33236%0.36SS..Hα-helixtrans-105.1-14.9-168.1-63.9-85.7000114W387W387-N391 HydrophobicContact CD2-CB 4.11Å; W387-N391 HydrophobicContact CE3-CB 4.37Å; W387-N391 HydrophobicContact CH2-CB 4.11Å; W387-N391 HydrophobicContact CZ2-CB 3.82Å; W387-N391 HydrophobicContact CZ3-CB 4.37Å; W387-N391 PolarHBondContact NE1-ND2 3.31Å; W387-N391 WeakPolarHBondContact O-CB 3.26Å; W387-N391 PolarHBondContact O-N 2.99Å; W387-N391 PolarHBondContact O-ND2 2.66Å
392C89.4Confident88.7Confident16 Ų1665 Ų6511%0.10834%0.342CS..EExtended strand (participates in β ladder)trans-119.5150.5-177.8-600000112W387 L388 N401 I402W387-C392 VanDerWaalsContact CZ3-SG 3.57Å; L388-C392 VanDerWaalsContact O-CB 3.25Å; L388-C392 WeakPolarHBondContact O-CB 3.33Å; L388-C392 PolarHBondContact O-N 3.22Å; C392-N401 HydrophobicContact CB-CB 4Å; C392-I402 WeakPolarHBondContact CA-O 3.49Å
393K89.6Confident88.7Confident69 Ų6969.4 Ų69.430%0.336%0.363SS..EExtended strand (participates in β ladder)trans-122.4142.8166.8-58-173.9-172.3-174.90110.2I402 W422 L425K393-I402 PolarHBondContact N-O 3.08Å; K393-I402 PolarHBondContact O-N 2.9Å; K393-W422 HydrophobicContact CB-CE3 4.22Å; K393-W422 HydrophobicContact CB-CH2 3.83Å; K393-W422 HydrophobicContact CB-CZ2 4.48Å; K393-W422 HydrophobicContact CB-CZ3 3.67Å; K393-W422 HydrophobicContact CD-CD2 3.94Å; K393-W422 HydrophobicContact CD-CE3 4.06Å; K393-W422 HydrophobicContact CD-CH2 4.09Å; K393-W422 HydrophobicContact CD-CZ2 3.92Å; K393-W422 HydrophobicContact CD-CZ3 4.15Å; K393-W422 HydrophobicContact CG-CE3 4.33Å; K393-W422 HydrophobicContact CG-CH2 3.63Å; K393-W422 HydrophobicContact CG-CZ2 3.81Å; K393-W422 HydrophobicContact CG-CZ3 3.91Å; K393-W422 PolarHBondContact NZ-O 3.38Å; K393-L425 HydrophobicContact CB-CD2 3.88Å; K393-L425 HydrophobicContact CD-CD2 3.81Å; K393-L425 HydrophobicContact CD-CG 4.47Å; K393-L425 HydrophobicContact CG-CD2 4.47Å
394G90.1Very high88.7Confident30 Ų3066.3 Ų66.331%0.30935%0.349SS..EExtended strand (participates in β ladder)trans-72.5136.8177.800000111.7
395C92Very high88.4Confident4 Ų469.2 Ų69.23%0.02736%0.364CS..  trans-60.9130171.7176.10000110.5R397 C398 G399 T400 C413C395-R397 PolarHBondContact O-N 3.21Å; C395-C398 PolarHBondContact O-N 3.38Å; C395-G399 WeakPolarHBondContact O-CA 3.17Å; C395-G399 PolarHBondContact O-N 2.91Å; C395-T400 PolarHBondContact N-O 3.35Å; C395-C413 HydrophobicContact CB-CB 4.15Å; C395-C413 VanDerWaalsContact SG-CB 3.57Å; C395-C413 VanDerWaalsContact SG-SG 3.7Å
396P92.9Very high88Confident46 Ų4671.8 Ų71.830%0.29938%0.383SS..THydrogen-bonded Turntrans-67.2-8.6-177.627.8-38.3000114.8F420 L425 Q427P396-F420 HydrophobicContact CG-CB 3.63Å; P396-F420 HydrophobicContact CG-CD2 4.38Å; P396-F420 HydrophobicContact CG-CG 4.06Å; P396-L425 WeakPolarHBondContact CB-O 3.31Å; P396-L425 VanDerWaalsContact CG-O 3.27Å; P396-L425 WeakPolarHBondContact CG-O 3.27Å; P396-Q427 HydrophobicContact CB-CG 4Å; P396-Q427 HydrophobicContact CG-CG 3.84Å; P396-Q427 PolarHBondContact O-NE2 2.85Å
397R91.1Very high87.9Confident147 Ų14771.7 Ų71.756%0.55539%0.388SS*.THydrogen-bonded Turntrans-101.2-42.3177.8-175.3-179.5-180-137.4-0.8113C395 C416 Q418C395-R397 PolarHBondContact O-N 3.21Å; R397-C416 PolarHBondContact NH1-O 3Å; R397-Q418 HydrophobicContact CB-CB 4.12Å; R397-Q418 HydrophobicContact CB-CG 4.02Å
398C92Very high88Confident54 Ų5467.6 Ų67.637%0.36538%0.376SS..THydrogen-bonded Turntrans-126.2-0.8-171.468.40000114.6C395 T400 C416C395-C398 PolarHBondContact O-N 3.38Å; C398-T400 PolarHBondContact O-N 3.02Å; C398-T400 VanDerWaalsContact O-N 3.11Å; C398-T400 PolarHBondContact SG-OG1 3.38Å; C398-C416 HydrophobicContact CB-CB 4.09Å; C398-C416 PolarHBondContact SG-SG 2.93Å
399G88.1Confident88.3Confident48 Ų4864.3 Ų64.350%0.49536%0.359SS..  trans73.5-6.4177.400000116C395 N401C395-G399 WeakPolarHBondContact O-CA 3.17Å; C395-G399 PolarHBondContact O-N 2.91Å; G399-N401 PolarHBondContact O-N 3.34Å
400T91.1Very high88.7Confident46 Ų4659.7 Ų59.728%0.28233%0.333SS..  trans-56.4128.3178.4-52.90000110.9C395 C398 I402C395-T400 PolarHBondContact N-O 3.35Å; C398-T400 PolarHBondContact O-N 3.02Å; C398-T400 VanDerWaalsContact O-N 3.11Å; C398-T400 PolarHBondContact SG-OG1 3.38Å; T400-I402 HydrophobicContact CG2-CD1 4.27Å; T400-I402 PolarHBondContact O-N 3.03Å
401N90.8Very high89Confident89 Ų8953.4 Ų53.448%0.47630%0.304SS..EExtended strand (participates in β ladder)trans-63.1122.5174.2-66.464.8000110L388 C392 G399L388-N401 HydrophobicContact CD2-CB 4.49Å; C392-N401 HydrophobicContact CB-CB 4Å; G399-N401 PolarHBondContact O-N 3.34Å
402I90.4Very high89.4Confident10 Ų1053 Ų535%0.05130%0.304CS..EExtended strand (participates in β ladder)trans-117.4128.8176.6-57-60.4000107.6C392 K393 T400 M411 T414 F420 W422C392-I402 WeakPolarHBondContact CA-O 3.49Å; K393-I402 PolarHBondContact N-O 3.08Å; K393-I402 PolarHBondContact O-N 2.9Å; T400-I402 HydrophobicContact CG2-CD1 4.27Å; T400-I402 PolarHBondContact O-N 3.03Å; I402-M411 HydrophobicContact CG2-CE 3.76Å; I402-T414 HydrophobicContact CD1-CG2 4.4Å; I402-T414 WeakPolarHBondContact CD1-OG1 3.4Å; I402-F420 HydrophobicContact CB-CZ 4.25Å; I402-F420 HydrophobicContact CG1-CE1 4.41Å; I402-F420 HydrophobicContact CG1-CZ 4.3Å; I402-F420 HydrophobicContact CG2-CZ 4.3Å; I402-W422 WeakPolarHBondContact O-CH2 3.14Å; I402-W422 VanDerWaalsContact O-CZ3 3.28Å; I402-W422 WeakPolarHBondContact O-CZ3 3.47Å
403Q89.9Confident89.5Confident93 Ų9352.3 Ų52.344%0.43530%0.299SS..EExtended strand (participates in β ladder)trans-91.2139.2169-173.7-178.313.200109.1
404K87.1Confident89.6Confident41 Ų4153.5 Ų53.518%0.17831%0.312CS..  trans-87.9119.1166.7-174.8-175.9176.3-162.50107.5G407 N409 M411 W422K404-G407 WeakPolarHBondContact CE-O 3.16Å; K404-G407 PolarHBondContact NZ-O 3.39Å; K404-N409 PolarHBondContact NZ-OD1 3.02Å; K404-M411 HydrophobicContact CB-CE 3.96Å; K404-M411 HydrophobicContact CB-SD 4.43Å; K404-M411 HydrophobicContact CG-CE 4.2Å; K404-M411 HydrophobicContact CG-SD 4.1Å; K404-W422 HydrophobicContact CB-CD2 4.02Å; K404-W422 HydrophobicContact CB-CE3 4.33Å; K404-W422 HydrophobicContact CB-CH2 3.9Å; K404-W422 HydrophobicContact CB-CZ2 3.59Å; K404-W422 HydrophobicContact CB-CZ3 4.26Å; K404-W422 HydrophobicContact CD-CD2 4.28Å; K404-W422 HydrophobicContact CD-CG 4.04Å
405V81.9Confident89.8Confident131 Ų13155.9 Ų55.979%0.79432%0.324SS*.  trans-92.6-51.6179179.90000109.8
406D77.4Confident89.9Confident126 Ų12657 Ų5767%0.67433%0.331SS*.SBendtrans-164168.7177.7-170.918.3000110.2
407G84.9Confident89.9Confident24 Ų2460.3 Ų60.325%0.24734%0.341CS..SBendtrans91.4-166.8171.400000115K404 V452K404-G407 WeakPolarHBondContact CE-O 3.16Å; K404-G407 PolarHBondContact NZ-O 3.39Å; G407-V452 WeakPolarHBondContact O-CG2 3.4Å
408C89.5Confident90Very high27 Ų2754.4 Ų54.418%0.18232%0.32CS..  trans-66.8157.7-170.773.90000113.8K410 L448 F449C408-K410 PolarHBondContact O-N 3.1Å; C408-L448 CarbonylContact C-O 3.56Å; C408-L448 WeakPolarHBondContact CA-O 3.34Å; C408-L448 HydrophobicContact CB-CD1 3.71Å; C408-L448 HydrophobicContact CB-CG 3.88Å; C408-F449 HydrophobicContact CB-CD1 3.9Å; C408-F449 HydrophobicContact CB-CE1 3.59Å; C408-F449 HydrophobicContact CB-CZ 4.15Å
409N90.7Very high90.1Very high1 Ų154.9 Ų54.91%0.00531%0.314CS..SBendtrans-69.72.3178.9-69.5-39.8000114.1K404 M411 C421 W422 L423 F437 Q447 L448 Q450K404-N409 PolarHBondContact NZ-OD1 3.02Å; N409-M411 PolarHBondContact O-N 3.42Å; N409-C421 CarbonylContact O-C 3.54Å; N409-C421 WeakPolarHBondContact O-CA 3.2Å; N409-W422 HydrophobicContact CB-CB 4.25Å; N409-W422 PolarHBondContact O-N 3.08Å; N409-L423 HydrophobicContact CB-CD1 4.44Å; N409-L423 HydrophobicContact CB-CG 4.17Å; N409-F437 HydrophobicContact CB-CE1 3.89Å; N409-F437 HydrophobicContact CB-CZ 3.97Å; N409-Q447 PolarHBondContact ND2-O 2.91Å; N409-L448 WeakPolarHBondContact CB-O 3.28Å; N409-L448 PolarHBondContact N-O 3.27Å; N409-L448 PolarHBondContact ND2-O 2.88Å; N409-Q450 PolarHBondContact ND2-O 2.85Å
410K92.1Very high90.4Very high34 Ų3452.6 Ų52.615%0.14829%0.291CS..EExtended strand (participates in β ladder)trans-8599.4167.6177.9-106.3152-167.90109.5C408 T412 Y419 L428 P433 Y434 F437 L448C408-K410 PolarHBondContact O-N 3.1Å; K410-T412 PolarHBondContact NZ-OG1 2.95Å; K410-Y419 VanDerWaalsContact CE-CD1 3.43Å; K410-L428 HydrophobicContact CB-CD1 4.23Å; K410-L428 HydrophobicContact CG-CD1 3.72Å; K410-P433 HydrophobicContact CD-CB 4.38Å; K410-P433 HydrophobicContact CG-CB 4.15Å; K410-Y434 HydrophobicContact CB-CE1 4.16Å; K410-Y434 HydrophobicContact CD-CE1 4.38Å; K410-Y434 HydrophobicContact CG-CE1 4.44Å; K410-F437 HydrophobicContact CB-CE2 4.06Å; K410-L448 HydrophobicContact CB-CD1 4.19Å
411M92.9Very high90.5Very high23 Ų2350.4 Ų50.411%0.11328%0.277CS..EExtended strand (participates in β ladder)trans-91.1155.3-178.8-63.4-62.3-75.100111.9I402 K404 N409 Y419 F420 W422I402-M411 HydrophobicContact CG2-CE 3.76Å; K404-M411 HydrophobicContact CB-CE 3.96Å; K404-M411 HydrophobicContact CB-SD 4.43Å; K404-M411 HydrophobicContact CG-CE 4.2Å; K404-M411 HydrophobicContact CG-SD 4.1Å; N409-M411 PolarHBondContact O-N 3.42Å; M411-Y419 WeakPolarHBondContact O-CA 3.45Å; M411-F420 HydrophobicContact CB-CD1 3.91Å; M411-F420 HydrophobicContact CB-CD2 4.25Å; M411-F420 HydrophobicContact CB-CE1 3.45Å; M411-F420 VanDerWaalsContact CB-CE1 3.45Å; M411-F420 HydrophobicContact CB-CE2 3.84Å; M411-F420 HydrophobicContact CB-CG 4.28Å; M411-F420 HydrophobicContact CB-CZ 3.42Å; M411-F420 VanDerWaalsContact CB-CZ 3.42Å; M411-F420 HydrophobicContact CG-CE2 4.27Å; M411-F420 HydrophobicContact CG-CZ 4.11Å; M411-F420 PolarHBondContact N-O 3.42Å; M411-F420 PolarHBondContact O-N 3.32Å; M411-W422 HydrophobicContact CE-CE3 4.17Å; M411-W422 HydrophobicContact CE-CZ3 4.3Å; M411-W422 HydrophobicContact CG-CB 3.76Å; M411-W422 HydrophobicContact CG-CD2 4.31Å; M411-W422 HydrophobicContact CG-CE3 3.84Å; M411-W422 HydrophobicContact CG-CG 4.34Å
412T92.5Very high90.6Very high55 Ų5547.7 Ų47.734%0.33726%0.26SS..EExtended strand (participates in β ladder)trans-124.3119.1173.3-52.80000109K410 T414 Y419K410-T412 PolarHBondContact NZ-OG1 2.95Å; T412-T414 PolarHBondContact O-N 2.94Å; T412-Y419 HydrophobicContact CG2-CD1 3.76Å; T412-Y419 HydrophobicContact CG2-CE1 3.6Å; T412-Y419 WeakPolarHBondContact OG1-CD1 3.37Å; T412-Y419 WeakPolarHBondContact OG1-CE1 3.32Å
413C92.8Very high90.5Very high0 Ų050 Ų500%027%0.272CS..  trans-62.7127.7177.6178.60000110.8C395 S415 C416 K417 Q418 F420C395-C413 HydrophobicContact CB-CB 4.15Å; C395-C413 VanDerWaalsContact SG-CB 3.57Å; C395-C413 VanDerWaalsContact SG-SG 3.7Å; C413-S415 VanDerWaalsContact C-N 3.31Å; C413-S415 PolarHBondContact O-N 2.93Å; C413-C416 PolarHBondContact SG-N 2.81Å; C413-C416 VanDerWaalsContact SG-N 3.44Å; C413-C416 VanDerWaalsContact SG-SG 3.61Å; C413-K417 WeakPolarHBondContact O-CA 3.18Å; C413-K417 PolarHBondContact O-N 2.82Å; C413-Q418 PolarHBondContact N-O 3.25Å; C413-F420 HydrophobicContact CB-CE1 4.47Å
414T92.3Very high90.6Very high95 Ų9548 Ų4858%0.58327%0.269SS*.THydrogen-bonded Turntrans-64.9-34.9-179.5500000112.6I402 T412 K417I402-T414 HydrophobicContact CD1-CG2 4.4Å; I402-T414 WeakPolarHBondContact CD1-OG1 3.4Å; T412-T414 PolarHBondContact O-N 2.94Å; T414-K417 WeakPolarHBondContact O-CE 3.41Å; T414-K417 PolarHBondContact O-NZ 3.42Å
415S93.8Very high90.8Very high80 Ų8049.3 Ų49.356%0.55928%0.277SS*.THydrogen-bonded Turntrans-80-67.5179.6177.30000112.6C413C413-S415 VanDerWaalsContact C-N 3.31Å; C413-S415 PolarHBondContact O-N 2.93Å
416C93.6Very high91.2Very high26 Ų2644.3 Ų44.318%0.17625%0.252CS..THydrogen-bonded Turntrans-92.7-0.5-171.6760000115R397 C398 C413 Q418R397-C416 PolarHBondContact NH1-O 3Å; C398-C416 HydrophobicContact CB-CB 4.09Å; C398-C416 PolarHBondContact SG-SG 2.93Å; C413-C416 PolarHBondContact SG-N 2.81Å; C413-C416 VanDerWaalsContact SG-N 3.44Å; C413-C416 VanDerWaalsContact SG-SG 3.61Å; C416-Q418 PolarHBondContact O-N 3.49Å; C416-Q418 VanDerWaalsContact O-N 3.1Å; C416-Q418 WeakPolarHBondContact SG-CB 3.34Å
417K93.1Very high91.9Very high116 Ų11644.1 Ų44.150%0.50425%0.247SC..  trans5524.7-177.9-50.1-56.2-171.5-1650114.3C413 T414 R430C413-K417 WeakPolarHBondContact O-CA 3.18Å; C413-K417 PolarHBondContact O-N 2.82Å; T414-K417 WeakPolarHBondContact O-CE 3.41Å; T414-K417 PolarHBondContact O-NZ 3.42Å; K417-R430 PolarHBondContact O-NH2 3.34Å
418Q93.6Very high92.2Very high24 Ų2443.4 Ų43.411%0.11224%0.238CC..  trans-75.3134.6172.7-178.655.740.100109.9R397 C413 C416 L428R397-Q418 HydrophobicContact CB-CB 4.12Å; R397-Q418 HydrophobicContact CB-CG 4.02Å; C413-Q418 PolarHBondContact N-O 3.25Å; C416-Q418 PolarHBondContact O-N 3.49Å; C416-Q418 VanDerWaalsContact O-N 3.1Å; C416-Q418 WeakPolarHBondContact SG-CB 3.34Å; Q418-L428 PolarHBondContact NE2-O 3.03Å
419Y94.2Very high92.2Very high64 Ų6446 Ų4625%0.25125%0.252SS..EExtended strand (participates in β ladder)trans-81.6136.7169-59-32.7000109.6K410 M411 T412 L428 R430 P433K410-Y419 VanDerWaalsContact CE-CD1 3.43Å; M411-Y419 WeakPolarHBondContact O-CA 3.45Å; T412-Y419 HydrophobicContact CG2-CD1 3.76Å; T412-Y419 HydrophobicContact CG2-CE1 3.6Å; T412-Y419 WeakPolarHBondContact OG1-CD1 3.37Å; T412-Y419 WeakPolarHBondContact OG1-CE1 3.32Å; Y419-L428 PolarHBondContact O-N 3.47Å; Y419-R430 HydrophobicContact CD2-CG 4.13Å; Y419-R430 HydrophobicContact CE2-CB 4.49Å; Y419-R430 HydrophobicContact CE2-CG 4.14Å; Y419-P433 HydrophobicContact CD2-CB 4.05Å; Y419-P433 HydrophobicContact CD2-CG 3.59Å; Y419-P433 HydrophobicContact CE2-CG 3.86Å
420F94.3Very high92Very high0 Ų053.3 Ų53.30%028%0.28CS..EExtended strand (participates in β ladder)trans-148.8157.317871.3-81.1000111.1P396 I402 M411 C413 W422 L425 G426 L428P396-F420 HydrophobicContact CG-CB 3.63Å; P396-F420 HydrophobicContact CG-CD2 4.38Å; P396-F420 HydrophobicContact CG-CG 4.06Å; I402-F420 HydrophobicContact CB-CZ 4.25Å; I402-F420 HydrophobicContact CG1-CE1 4.41Å; I402-F420 HydrophobicContact CG1-CZ 4.3Å; I402-F420 HydrophobicContact CG2-CZ 4.3Å; M411-F420 HydrophobicContact CB-CD1 3.91Å; M411-F420 HydrophobicContact CB-CD2 4.25Å; M411-F420 HydrophobicContact CB-CE1 3.45Å; M411-F420 VanDerWaalsContact CB-CE1 3.45Å; M411-F420 HydrophobicContact CB-CE2 3.84Å; M411-F420 HydrophobicContact CB-CG 4.28Å; M411-F420 HydrophobicContact CB-CZ 3.42Å; M411-F420 VanDerWaalsContact CB-CZ 3.42Å; M411-F420 HydrophobicContact CG-CE2 4.27Å; M411-F420 HydrophobicContact CG-CZ 4.11Å; M411-F420 PolarHBondContact N-O 3.42Å; M411-F420 PolarHBondContact O-N 3.32Å; C413-F420 HydrophobicContact CB-CE1 4.47Å; F420-W422 HydrophobicContact CE2-CE3 4.1Å; F420-W422 HydrophobicContact CZ-CE3 4.37Å; F420-L425 HydrophobicContact CD2-CD2 4.15Å; F420-L425 HydrophobicContact CE2-CD2 3.99Å; F420-G426 CarbonylContact C-O 3.55Å; F420-G426 WeakPolarHBondContact CA-O 3.31Å; F420-G426 WeakPolarHBondContact CB-O 3.36Å; F420-L428 VanDerWaalsContact C-CD1 3.43Å
421C92.9Very high91.8Very high0 Ų058.6 Ų58.60%032%0.315CS..EExtended strand (participates in β ladder)trans-84.3129.5174.7177.50000110.2N409 L423 C424 L425 G426 L428 F437N409-C421 CarbonylContact O-C 3.54Å; N409-C421 WeakPolarHBondContact O-CA 3.2Å; C421-L423 VanDerWaalsContact C-N 3.29Å; C421-L423 PolarHBondContact O-N 3.1Å; C421-C424 VanDerWaalsContact CB-SG 3.56Å; C421-C424 VanDerWaalsContact SG-SG 3.67Å; C421-L425 WeakPolarHBondContact O-CA 3.41Å; C421-L425 PolarHBondContact O-N 3.07Å; C421-G426 PolarHBondContact N-O 2.79Å; C421-L428 HydrophobicContact CB-CD1 4.48Å; C421-L428 HydrophobicContact CB-CD2 4.35Å; C421-F437 HydrophobicContact CB-CZ 4.06Å; C421-F437 VanDerWaalsContact SG-CZ 3.51Å
422W92.1Very high91.5Very high31 Ų3161.3 Ų61.312%0.11733%0.33CS..THydrogen-bonded Turntrans-66.3-30.5179.1-175-111.8000113.4K393 I402 K404 N409 M411 F420K393-W422 HydrophobicContact CB-CE3 4.22Å; K393-W422 HydrophobicContact CB-CH2 3.83Å; K393-W422 HydrophobicContact CB-CZ2 4.48Å; K393-W422 HydrophobicContact CB-CZ3 3.67Å; K393-W422 HydrophobicContact CD-CD2 3.94Å; K393-W422 HydrophobicContact CD-CE3 4.06Å; K393-W422 HydrophobicContact CD-CH2 4.09Å; K393-W422 HydrophobicContact CD-CZ2 3.92Å; K393-W422 HydrophobicContact CD-CZ3 4.15Å; K393-W422 HydrophobicContact CG-CE3 4.33Å; K393-W422 HydrophobicContact CG-CH2 3.63Å; K393-W422 HydrophobicContact CG-CZ2 3.81Å; K393-W422 HydrophobicContact CG-CZ3 3.91Å; K393-W422 PolarHBondContact NZ-O 3.38Å; I402-W422 WeakPolarHBondContact O-CH2 3.14Å; I402-W422 VanDerWaalsContact O-CZ3 3.28Å; I402-W422 WeakPolarHBondContact O-CZ3 3.47Å; K404-W422 HydrophobicContact CB-CD2 4.02Å; K404-W422 HydrophobicContact CB-CE3 4.33Å; K404-W422 HydrophobicContact CB-CH2 3.9Å; K404-W422 HydrophobicContact CB-CZ2 3.59Å; K404-W422 HydrophobicContact CB-CZ3 4.26Å; K404-W422 HydrophobicContact CD-CD2 4.28Å; K404-W422 HydrophobicContact CD-CG 4.04Å; N409-W422 HydrophobicContact CB-CB 4.25Å; N409-W422 PolarHBondContact O-N 3.08Å; M411-W422 HydrophobicContact CE-CE3 4.17Å; M411-W422 HydrophobicContact CE-CZ3 4.3Å; M411-W422 HydrophobicContact CG-CB 3.76Å; M411-W422 HydrophobicContact CG-CD2 4.31Å; M411-W422 HydrophobicContact CG-CE3 3.84Å; M411-W422 HydrophobicContact CG-CG 4.34Å; F420-W422 HydrophobicContact CE2-CE3 4.1Å; F420-W422 HydrophobicContact CZ-CE3 4.37Å
423L90.1Very high91.2Very high58 Ų5859.4 Ų59.430%0.30432%0.319SS..THydrogen-bonded Turntrans-75.5-56.2-175.3-58.9177.4000110.9N409 C421 C444 Q447N409-L423 HydrophobicContact CB-CD1 4.44Å; N409-L423 HydrophobicContact CB-CG 4.17Å; C421-L423 VanDerWaalsContact C-N 3.29Å; C421-L423 PolarHBondContact O-N 3.1Å; L423-C444 HydrophobicContact CD1-CB 4.38Å; L423-Q447 HydrophobicContact CD1-CB 3.58Å
424C90.6Very high91Very high53 Ų5364 Ų6436%0.35834%0.337SS..THydrogen-bonded Turntrans-99.5-3.7-174.569.20000114.6C421 G426 H436C421-C424 VanDerWaalsContact CB-SG 3.56Å; C421-C424 VanDerWaalsContact SG-SG 3.67Å; C424-G426 PolarHBondContact O-N 2.68Å; C424-G426 VanDerWaalsContact O-N 3.08Å; C424-G426 PolarHBondContact SG-N 2.93Å; C424-G426 VanDerWaalsContact SG-N 3.39Å; C424-H436 VanDerWaalsContact SG-CE1 3.52Å; C424-H436 PolarHBondContact SG-NE2 3.07Å
425L91.4Very high90.9Very high68 Ų6861.9 Ų61.936%0.35633%0.325SS..  trans5719.5-173.5-57.3178000114.2K393 P396 F420 C421K393-L425 HydrophobicContact CB-CD2 3.88Å; K393-L425 HydrophobicContact CD-CD2 3.81Å; K393-L425 HydrophobicContact CD-CG 4.47Å; K393-L425 HydrophobicContact CG-CD2 4.47Å; P396-L425 WeakPolarHBondContact CB-O 3.31Å; P396-L425 VanDerWaalsContact CG-O 3.27Å; P396-L425 WeakPolarHBondContact CG-O 3.27Å; F420-L425 HydrophobicContact CD2-CD2 4.15Å; F420-L425 HydrophobicContact CE2-CD2 3.99Å; C421-L425 WeakPolarHBondContact O-CA 3.41Å; C421-L425 PolarHBondContact O-N 3.07Å
426G90.2Very high90.7Very high26 Ų2659.8 Ų59.827%0.26831%0.307SS..PPolyproline II helixtrans-71139.9175.900000112.5F420 C421 C424 L428F420-G426 CarbonylContact C-O 3.55Å; F420-G426 WeakPolarHBondContact CA-O 3.31Å; F420-G426 WeakPolarHBondContact CB-O 3.36Å; C421-G426 PolarHBondContact N-O 2.79Å; C424-G426 PolarHBondContact O-N 2.68Å; C424-G426 VanDerWaalsContact O-N 3.08Å; C424-G426 PolarHBondContact SG-N 2.93Å; C424-G426 VanDerWaalsContact SG-N 3.39Å; G426-L428 PolarHBondContact O-N 3.01Å
427Q92.9Very high90.5Very high121 Ų12158.6 Ų58.657%0.56530%0.299SS*.EExtended strand (participates in β ladder)trans-71.5126174.6-62.2-177.328.500110.4P396P396-Q427 HydrophobicContact CB-CG 4Å; P396-Q427 HydrophobicContact CG-CG 3.84Å; P396-Q427 PolarHBondContact O-NE2 2.85Å
428L91.8Very high90.4Very high9 Ų958 Ų585%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-95.9143.8178.9-59175.3000110.9K410 Q418 Y419 F420 C421 G426 P433 H436 F437K410-L428 HydrophobicContact CB-CD1 4.23Å; K410-L428 HydrophobicContact CG-CD1 3.72Å; Q418-L428 PolarHBondContact NE2-O 3.03Å; Y419-L428 PolarHBondContact O-N 3.47Å; F420-L428 VanDerWaalsContact C-CD1 3.43Å; C421-L428 HydrophobicContact CB-CD1 4.48Å; C421-L428 HydrophobicContact CB-CD2 4.35Å; G426-L428 PolarHBondContact O-N 3.01Å; L428-P433 HydrophobicContact CB-CB 4.42Å; L428-H436 HydrophobicContact CD2-CB 3.28Å; L428-F437 HydrophobicContact CD1-CE2 4.19Å
429T88.5Confident90.1Very high81 Ų8160.4 Ų60.450%0.49732%0.315SS..PPolyproline II helixtrans-70.6151.7176.772.50000110.9N432 P433T429-N432 PolarHBondContact OG1-N 3.4Å; T429-N432 PolarHBondContact OG1-O 3.3Å; T429-P433 WeakPolarHBondContact O-CA 3.1Å; T429-P433 VanDerWaalsContact O-CG 3.31Å; T429-P433 WeakPolarHBondContact O-CG 3.5Å
430R86.8Confident89.8Confident156 Ų15662.1 Ų62.159%0.58933%0.334SS*.SBendtrans-76.9-24.3174.5-70.9-170.7171.9-152.2-3113.4K417 Y419K417-R430 PolarHBondContact O-NH2 3.34Å; Y419-R430 HydrophobicContact CD2-CG 4.13Å; Y419-R430 HydrophobicContact CE2-CB 4.49Å; Y419-R430 HydrophobicContact CE2-CG 4.14Å
431V87.3Confident89.4Confident144 Ų14467.4 Ų67.487%0.87337%0.37SS*.SBendtrans-72.6-46.4-177.7-176.80000110.8
432N86.9Confident89.2Confident80 Ų8068.2 Ų68.243%0.42838%0.376SS..  trans-143.785.1174.2-172-6.4000111T429 Y434 S435T429-N432 PolarHBondContact OG1-N 3.4Å; T429-N432 PolarHBondContact OG1-O 3.3Å; N432-Y434 PolarHBondContact O-N 3.01Å; N432-Y434 PolarHBondContact OD1-N 2.82Å; N432-S435 WeakPolarHBondContact O-CB 3.4Å; N432-S435 PolarHBondContact O-N 3.36Å; N432-S435 PolarHBondContact O-OG 2.98Å; N432-S435 PolarHBondContact OD1-N 3.25Å
433P85.7Confident88.9Confident16 Ų1671.8 Ų71.810%0.10440%0.404CS..THydrogen-bonded Turntrans-64-25.4-177.7-17.728.8000113.6K410 Y419 L428 T429K410-P433 HydrophobicContact CD-CB 4.38Å; K410-P433 HydrophobicContact CG-CB 4.15Å; Y419-P433 HydrophobicContact CD2-CB 4.05Å; Y419-P433 HydrophobicContact CD2-CG 3.59Å; Y419-P433 HydrophobicContact CE2-CG 3.86Å; L428-P433 HydrophobicContact CB-CB 4.42Å; T429-P433 WeakPolarHBondContact O-CA 3.1Å; T429-P433 VanDerWaalsContact O-CG 3.31Å; T429-P433 WeakPolarHBondContact O-CG 3.5Å
434Y89.6Confident89Confident96 Ų9669.2 Ų69.238%0.37639%0.39SS..THydrogen-bonded Turntrans-87.8-12.8-175.4-61.5-80.1000113.6K410 N432 H436 F437 N438 L448K410-Y434 HydrophobicContact CB-CE1 4.16Å; K410-Y434 HydrophobicContact CD-CE1 4.38Å; K410-Y434 HydrophobicContact CG-CE1 4.44Å; N432-Y434 PolarHBondContact O-N 3.01Å; N432-Y434 PolarHBondContact OD1-N 2.82Å; Y434-H436 PolarHBondContact O-N 2.93Å; Y434-H436 VanDerWaalsContact O-N 3.11Å; Y434-F437 PolarHBondContact O-N 3.11Å; Y434-N438 PolarHBondContact O-N 2.72Å; Y434-L448 HydrophobicContact CD1-CD1 3.89Å; Y434-L448 HydrophobicContact CD1-CD2 3.72Å; Y434-L448 HydrophobicContact CE1-CD1 4Å; Y434-L448 HydrophobicContact CE1-CD2 3.98Å
435S90.3Very high89Confident50 Ų5070.5 Ų70.535%0.3539%0.39SS..Hα-helixtrans-53.1-32.5175.359.40000113.4N432 F437 N438 N439N432-S435 WeakPolarHBondContact O-CB 3.4Å; N432-S435 PolarHBondContact O-N 3.36Å; N432-S435 PolarHBondContact O-OG 2.98Å; N432-S435 PolarHBondContact OD1-N 3.25Å; S435-F437 VanDerWaalsContact C-N 3.26Å; S435-F437 PolarHBondContact O-N 3.26Å; S435-N438 PolarHBondContact O-N 3.36Å; S435-N439 VanDerWaalsContact O-CB 3.28Å; S435-N439 WeakPolarHBondContact O-CB 3.45Å; S435-N439 PolarHBondContact O-N 3.49Å; S435-N439 VanDerWaalsContact O-N 3.07Å
436H88.5Confident88.8Confident36 Ų3673 Ų7317%0.16740%0.404CS..Hα-helixtrans-62.3-29.9175.7178.472.2000113.5C424 L428 Y434 S442 C444C424-H436 VanDerWaalsContact SG-CE1 3.52Å; C424-H436 PolarHBondContact SG-NE2 3.07Å; L428-H436 HydrophobicContact CD2-CB 3.28Å; Y434-H436 PolarHBondContact O-N 2.93Å; Y434-H436 VanDerWaalsContact O-N 3.11Å; H436-S442 PolarHBondContact CE1-OG 2.96Å; H436-S442 PolarHBondContact ND1-OG 3.17Å; H436-S442 VanDerWaalsContact ND1-OG 3.07Å; H436-S442 WeakPolarHBondContact O-CB 3.33Å; H436-S442 PolarHBondContact O-OG 3.43Å; H436-C444 WeakPolarHBondContact NE2-CB 3.48Å
437F90.8Very high88.8Confident1 Ų174.8 Ų74.80%0.00441%0.405CS..Hα-helixtrans-92.7-17.9178.5-59.7-84.6000112.5N409 K410 C421 L428 Y434 S435 C444 F445 N446 L448N409-F437 HydrophobicContact CB-CE1 3.89Å; N409-F437 HydrophobicContact CB-CZ 3.97Å; K410-F437 HydrophobicContact CB-CE2 4.06Å; C421-F437 HydrophobicContact CB-CZ 4.06Å; C421-F437 VanDerWaalsContact SG-CZ 3.51Å; L428-F437 HydrophobicContact CD1-CE2 4.19Å; Y434-F437 PolarHBondContact O-N 3.11Å; S435-F437 VanDerWaalsContact C-N 3.26Å; S435-F437 PolarHBondContact O-N 3.26Å; F437-C444 HydrophobicContact CD1-CB 4.22Å; F437-C444 WeakPolarHBondContact CD1-O 3.25Å; F437-C444 HydrophobicContact CE1-CB 4.2Å; F437-F445 CarbonylContact O-C 3.57Å; F437-F445 WeakPolarHBondContact O-CA 3.28Å; F437-F445 WeakPolarHBondContact O-CD2 3Å; F437-N446 PolarHBondContact O-N 3.35Å; F437-L448 HydrophobicContact CB-CB 4.02Å; F437-L448 HydrophobicContact CD1-CB 3.97Å; F437-L448 HydrophobicContact CD1-CD1 4.19Å; F437-L448 HydrophobicContact CD2-CD1 3.63Å; F437-L448 HydrophobicContact CE1-CD1 4.26Å; F437-L448 HydrophobicContact CE2-CD1 3.71Å; F437-L448 HydrophobicContact CG-CB 3.93Å; F437-L448 HydrophobicContact CG-CD1 3.87Å; F437-L448 HydrophobicContact CG-CG 4.46Å; F437-L448 HydrophobicContact CZ-CD1 4.02Å
438N89Confident88.6Confident103 Ų10370.3 Ų70.355%0.55139%0.385SS*.Hα-helixtrans-101.3-2.5-178-63.5-14.2000113.6Y434 S435 F445Y434-N438 PolarHBondContact O-N 2.72Å; S435-N438 PolarHBondContact O-N 3.36Å; N438-F445 WeakPolarHBondContact O-CE2 3.34Å
439N88.1Confident88.4Confident76 Ų7675.8 Ų75.841%0.40641%0.409SS..  trans-96.2118.9179.7-174.7-11.8000110.8S435 S441 S442 F445S435-N439 VanDerWaalsContact O-CB 3.28Å; S435-N439 WeakPolarHBondContact O-CB 3.45Å; S435-N439 PolarHBondContact O-N 3.49Å; S435-N439 VanDerWaalsContact O-N 3.07Å; N439-S441 PolarHBondContact O-N 2.82Å; N439-S441 VanDerWaalsContact O-N 3.07Å; N439-S441 WeakPolarHBondContact OD1-CB 3.37Å; N439-S441 PolarHBondContact OD1-N 3.07Å; N439-S441 PolarHBondContact OD1-OG 3.26Å; N439-S442 VanDerWaalsContact O-CB 3.25Å; N439-S442 WeakPolarHBondContact O-CB 3.41Å; N439-S442 PolarHBondContact O-N 3.34Å; N439-F445 WeakPolarHBondContact O-CB 3.4Å; N439-F445 WeakPolarHBondContact O-CD2 3.08Å
440P87.2Confident88.1Confident100 Ų10076.6 Ų76.665%0.64941%0.407SS*.THydrogen-bonded Turntrans-57.4-21.6176.9-25.835000114.8S442 F445P440-S442 VanDerWaalsContact C-N 3.3Å; P440-F445 HydrophobicContact CG-CD2 4.47Å; P440-F445 HydrophobicContact CG-CE2 4.03Å; P440-F445 HydrophobicContact CG-CZ 4.07Å
441S86.8Confident87.4Confident110 Ų11072.5 Ų72.577%0.76941%0.413SS*.THydrogen-bonded Turntrans-82-4.6176.2-51.20000113.9N439N439-S441 PolarHBondContact O-N 2.82Å; N439-S441 VanDerWaalsContact O-N 3.07Å; N439-S441 WeakPolarHBondContact OD1-CB 3.37Å; N439-S441 PolarHBondContact OD1-N 3.07Å; N439-S441 PolarHBondContact OD1-OG 3.26Å
442S87.8Confident86.7Confident18 Ų1866.9 Ų66.913%0.12638%0.379CS..SBendtrans-88.2141179.8-179.70000111.5H436 N439 P440 C444 F445H436-S442 PolarHBondContact CE1-OG 2.96Å; H436-S442 PolarHBondContact ND1-OG 3.17Å; H436-S442 VanDerWaalsContact ND1-OG 3.07Å; H436-S442 WeakPolarHBondContact O-CB 3.33Å; H436-S442 PolarHBondContact O-OG 3.43Å; N439-S442 VanDerWaalsContact O-CB 3.25Å; N439-S442 WeakPolarHBondContact O-CB 3.41Å; N439-S442 PolarHBondContact O-N 3.34Å; P440-S442 VanDerWaalsContact C-N 3.3Å; S442-C444 PolarHBondContact O-N 3.07Å; S442-C444 VanDerWaalsContact O-N 3.1Å; S442-C444 PolarHBondContact OG-N 3.24Å; S442-F445 PolarHBondContact O-N 2.91Å
443P87.1Confident85.4Confident106 Ų10670.6 Ų70.669%0.68840%0.399SS*.THydrogen-bonded Turntrans-64.2-14.2175.228.1-36.2000113.6
444C91Very high84Confident4 Ų475.5 Ų75.53%0.02742%0.423CS..THydrogen-bonded Turntrans-113.825.9-179.8-56.20000112.8L423 H436 F437 S442 N446 Q447L423-C444 HydrophobicContact CD1-CB 4.38Å; H436-C444 WeakPolarHBondContact NE2-CB 3.48Å; F437-C444 HydrophobicContact CD1-CB 4.22Å; F437-C444 WeakPolarHBondContact CD1-O 3.25Å; F437-C444 HydrophobicContact CE1-CB 4.2Å; S442-C444 PolarHBondContact O-N 3.07Å; S442-C444 VanDerWaalsContact O-N 3.1Å; S442-C444 PolarHBondContact OG-N 3.24Å; C444-N446 PolarHBondContact O-N 3.34Å; C444-Q447 PolarHBondContact O-N 3.23Å; C444-Q447 VanDerWaalsContact O-N 3.17Å
445F91.5Very high82.3Confident79 Ų7977.8 Ų77.835%0.34644%0.442SS..THydrogen-bonded Turntrans-57.6131.5176.9179.5-116000111.8F437 N438 N439 P440 S442 Q447F437-F445 CarbonylContact O-C 3.57Å; F437-F445 WeakPolarHBondContact O-CA 3.28Å; F437-F445 WeakPolarHBondContact O-CD2 3Å; N438-F445 WeakPolarHBondContact O-CE2 3.34Å; N439-F445 WeakPolarHBondContact O-CB 3.4Å; N439-F445 WeakPolarHBondContact O-CD2 3.08Å; P440-F445 HydrophobicContact CG-CD2 4.47Å; P440-F445 HydrophobicContact CG-CE2 4.03Å; P440-F445 HydrophobicContact CG-CZ 4.07Å; S442-F445 PolarHBondContact O-N 2.91Å; F445-Q447 PolarHBondContact O-N 2.77Å; F445-Q447 VanDerWaalsContact O-N 3.17Å
446N87.9Confident80.3Confident122 Ų12284.1 Ų84.165%0.65247%0.466SS*.THydrogen-bonded Turntrans5718.3-175-76.1-16000115.8F437 C444F437-N446 PolarHBondContact O-N 3.35Å; C444-N446 PolarHBondContact O-N 3.34Å
447Q88.9Confident78.3Confident62 Ų6289.5 Ų89.529%0.2950%0.496SS..  trans-106.225.4-179.3-64.5-175.9-9.200113.5N409 L423 C444 F445 F449 Q450N409-Q447 PolarHBondContact ND2-O 2.91Å; L423-Q447 HydrophobicContact CD1-CB 3.58Å; C444-Q447 PolarHBondContact O-N 3.23Å; C444-Q447 VanDerWaalsContact O-N 3.17Å; F445-Q447 PolarHBondContact O-N 2.77Å; F445-Q447 VanDerWaalsContact O-N 3.17Å; Q447-F449 VanDerWaalsContact C-N 3.3Å; Q447-F449 PolarHBondContact O-N 2.81Å; Q447-Q450 HydrophobicContact CB-CB 3.98Å; Q447-Q450 HydrophobicContact CG-CB 4.37Å; Q447-Q450 PolarHBondContact O-N 3.2Å
448L88.4Confident76.2Confident28 Ų2896.9 Ų96.915%0.14754%0.535CS..THydrogen-bonded Turntrans-61.9-37-178.2-178.661000112.7C408 N409 K410 Y434 F437C408-L448 CarbonylContact C-O 3.56Å; C408-L448 WeakPolarHBondContact CA-O 3.34Å; C408-L448 HydrophobicContact CB-CD1 3.71Å; C408-L448 HydrophobicContact CB-CG 3.88Å; N409-L448 WeakPolarHBondContact CB-O 3.28Å; N409-L448 PolarHBondContact N-O 3.27Å; N409-L448 PolarHBondContact ND2-O 2.88Å; K410-L448 HydrophobicContact CB-CD1 4.19Å; Y434-L448 HydrophobicContact CD1-CD1 3.89Å; Y434-L448 HydrophobicContact CD1-CD2 3.72Å; Y434-L448 HydrophobicContact CE1-CD1 4Å; Y434-L448 HydrophobicContact CE1-CD2 3.98Å; F437-L448 HydrophobicContact CB-CB 4.02Å; F437-L448 HydrophobicContact CD1-CB 3.97Å; F437-L448 HydrophobicContact CD1-CD1 4.19Å; F437-L448 HydrophobicContact CD2-CD1 3.63Å; F437-L448 HydrophobicContact CE1-CD1 4.26Å; F437-L448 HydrophobicContact CE2-CD1 3.71Å; F437-L448 HydrophobicContact CG-CB 3.93Å; F437-L448 HydrophobicContact CG-CD1 3.87Å; F437-L448 HydrophobicContact CG-CG 4.46Å; F437-L448 HydrophobicContact CZ-CD1 4.02Å
449F88.5Confident74.1Confident124 Ų12496.5 Ų96.554%0.54455%0.546SS..THydrogen-bonded Turntrans-114.215179.9-61.7-79.4000113C408 Q447 G451 V452C408-F449 HydrophobicContact CB-CD1 3.9Å; C408-F449 HydrophobicContact CB-CE1 3.59Å; C408-F449 HydrophobicContact CB-CZ 4.15Å; Q447-F449 VanDerWaalsContact C-N 3.3Å; Q447-F449 PolarHBondContact O-N 2.81Å; F449-G451 PolarHBondContact O-N 3.44Å; F449-V452 HydrophobicContact CB-CG2 4.4Å; F449-V452 HydrophobicContact CD1-CG2 4.47Å; F449-V452 PolarHBondContact O-N 3.17Å
450Q81.6Confident71.9Confident97 Ų97100.6 Ų100.645%0.45356%0.561SS.*THydrogen-bonded Turntrans-63.6126.6177.4-172.7-175.815.200110.3N409 Q447N409-Q450 PolarHBondContact ND2-O 2.85Å; Q447-Q450 HydrophobicContact CB-CB 3.98Å; Q447-Q450 HydrophobicContact CG-CB 4.37Å; Q447-Q450 PolarHBondContact O-N 3.2Å
451G72.8Confident70Confident70 Ų70106.5 Ų106.572%0.72257%0.57SS**THydrogen-bonded Turntrans71.232.4-177.600000113.5F449F449-G451 PolarHBondContact O-N 3.44Å
452V72.3Confident68.1Low26 Ų26105.9 Ų105.916%0.15857%0.566CS.*  trans-104.7116.4162.5-178.70000105.3G407 F449 I454G407-V452 WeakPolarHBondContact O-CG2 3.4Å; F449-V452 HydrophobicContact CB-CG2 4.4Å; F449-V452 HydrophobicContact CD1-CG2 4.47Å; F449-V452 PolarHBondContact O-N 3.17Å; V452-I454 HydrophobicContact CG1-CG1 4.42Å; V452-I454 PolarHBondContact O-N 3.36Å
453D59.9Low66.3Low158 Ų158112.9 Ų112.985%0.84560%0.602SS**  trans-71.7117.3172.5-66.7-41.5000107.2
454I57.1Low64.7Low120 Ų120116.5 Ų116.562%0.61561%0.61SS**  trans-94.5-7.5-179.5-64.8172.5000110.6V452V452-I454 HydrophobicContact CG1-CG1 4.42Å; V452-I454 PolarHBondContact O-N 3.36Å
455D52Low62.6Low143 Ų143124.9 Ų124.977%0.76565%0.649SS**  trans-107.380.2-169.5-58.7-35.6000111.3
456E48.6Very low60.2Low184 Ų184132.5 Ų132.586%0.8669%0.693SS**SBendtrans-157-11.2156.2-114.8171.2-150.700115.8
457D47.5Very low58.8Low148 Ų148133.1 Ų133.179%0.79170%0.695SS**SBendtrans-102-5.1-176.6-77.7-28.2000116A459D457-A459 VanDerWaalsContact C-N 3.32Å; D457-A459 PolarHBondContact O-N 3.39Å
458D45.8Very low57.2Low157 Ų157136.8 Ų136.884%0.8472%0.716SS**THydrogen-bonded Turntrans-85.14.7-177.9-77.7-24.3000114.5
459A45Very low55.5Low94 Ų94142.8 Ų142.878%0.77775%0.748SS**THydrogen-bonded Turntrans-104.415.4-17700000115.3D457D457-A459 VanDerWaalsContact C-N 3.32Å; D457-A459 PolarHBondContact O-N 3.39Å
460F42.7Very low53.5Low163 Ų163143.9 Ų143.972%0.71576%0.76SS**SBendtrans-114.3-2-175.1-166.3-102.6000115.8
461W46.7Very low51.8Low223 Ų223146.9 Ų146.985%0.84578%0.779SS**SBendtrans-124.919.9-177.4-65.7106.9000116
462S46.9Very low50.4Low98 Ų98152 Ų15269%0.68578%0.783SS**  trans-10970.9168.569.80000110.8
463D49.5Very low48.8Very low165 Ų165161 Ų16188%0.88283%0.828SS**  trans-166.877.1152.8-92.5-20.7000108.4
464E53.5Low47.9Very low181 Ų181161.2 Ų161.285%0.84683%0.827SS**  trans-156.9130150.6-110.1172.6-164.400108.6
465E47.6Very low47.2Very low181 Ų181164.7 Ų164.785%0.84684%0.844SS**  trans84.686.5172.3-53-176.9170.400117.2
466D40.2Very low46.7Very low239 Ų239166.6 Ų166.6100%1.27885%0.851SS**  173.3083.7-100.4-23.3000112.2

Retrieved 466 of 466 residues in 2924.4 ms (Link to these results)

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