A0A087XLY2_POEFO Loading...

RBR-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087XLY2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 446 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
1M55.3Low86.7Confident163 Ų16370.6 Ų70.680%0.80336%0.356SS*.  0156.90-64.7-141.4-74.600106.8K5M1-K5 HydrophobicContact SD-CD 3.85Å; M1-K5 HydrophobicContact SD-CG 4.21Å
2S79.8Confident87.2Confident62 Ų6264.8 Ų64.843%0.43433%0.326SS..  trans-64147.9168.5570000108.3D4 K5 E6S2-D4 PolarHBondContact O-N 3.4Å; S2-K5 PolarHBondContact O-N 2.65Å; S2-K5 WeakPolarHBondContact OG-CB 3.38Å; S2-K5 PolarHBondContact OG-N 3.43Å; S2-E6 PolarHBondContact O-N 3.32Å
3E86.7Confident87.4Confident172 Ų17267.5 Ų67.580%0.80434%0.341SS*.Hα-helixtrans-54.8-40.1177.1-67.7175.3164.900110.4K5 E6 A7E3-K5 PolarHBondContact O-N 2.9Å; E3-E6 PolarHBondContact O-N 3.45Å; E3-A7 PolarHBondContact O-N 3.12Å
4D90.4Very high87.7Confident25 Ų2566.1 Ų66.113%0.13435%0.345CS..Hα-helixtrans-54.3-46.3171.7-73.6-34.8000113.7S2 E6 A7 Q8 Y75 P76 S77S2-D4 PolarHBondContact O-N 3.4Å; D4-E6 VanDerWaalsContact C-N 3.29Å; D4-E6 PolarHBondContact O-N 3.16Å; D4-A7 PolarHBondContact O-N 3.28Å; D4-Q8 WeakPolarHBondContact O-CB 3.14Å; D4-Q8 VanDerWaalsContact O-CG 3.24Å; D4-Q8 WeakPolarHBondContact O-CG 3.46Å; D4-Q8 PolarHBondContact O-N 3.17Å; D4-Y75 VanDerWaalsContact CB-O 3.23Å; D4-Y75 WeakPolarHBondContact CB-O 3.3Å; D4-P76 WeakPolarHBondContact OD1-CD 3.13Å; D4-S77 WeakPolarHBondContact OD1-CB 3.21Å; D4-S77 PolarHBondContact OD1-N 2.96Å; D4-S77 VanDerWaalsContact OD1-N 3.08Å; D4-S77 PolarHBondContact OD1-OG 2.73Å
5K89.6Confident87.9Confident90 Ų9061.9 Ų61.939%0.39132%0.323SS..Hα-helixtrans-67.5-33.3-178.8-176172.4-178.1176.60111.9M1 S2 E3 E9M1-K5 HydrophobicContact SD-CD 3.85Å; M1-K5 HydrophobicContact SD-CG 4.21Å; S2-K5 PolarHBondContact O-N 2.65Å; S2-K5 WeakPolarHBondContact OG-CB 3.38Å; S2-K5 PolarHBondContact OG-N 3.43Å; E3-K5 PolarHBondContact O-N 2.9Å; K5-E9 WeakPolarHBondContact O-CG 3.28Å; K5-E9 PolarHBondContact O-N 3.19Å
6E91.4Very high87.9Confident108 Ų10861.5 Ų61.551%0.50533%0.332SS..Hα-helixtrans-70.4-44.1175.1-173.4171.417500111.2S2 E3 D4 Q8 E9 N10S2-E6 PolarHBondContact O-N 3.32Å; E3-E6 PolarHBondContact O-N 3.45Å; D4-E6 VanDerWaalsContact C-N 3.29Å; D4-E6 PolarHBondContact O-N 3.16Å; E6-Q8 PolarHBondContact O-N 2.93Å; E6-E9 PolarHBondContact O-N 3.19Å; E6-N10 WeakPolarHBondContact O-CB 3.29Å; E6-N10 PolarHBondContact O-N 3.04Å; E6-N10 PolarHBondContact O-ND2 3.39Å
7A91Very high87.9Confident14 Ų1464.1 Ų64.112%0.11636%0.356CS..Hα-helixtrans-57.7-46.1174.100000112E3 D4 E9 N10 E11 P76 E113E3-A7 PolarHBondContact O-N 3.12Å; D4-A7 PolarHBondContact O-N 3.28Å; A7-E9 PolarHBondContact O-N 2.84Å; A7-N10 PolarHBondContact O-N 3.19Å; A7-E11 PolarHBondContact O-N 3.17Å; A7-P76 HydrophobicContact CB-CG 4.05Å; A7-E113 HydrophobicContact CB-CG 4.47Å
8Q92.4Very high87.7Confident0 Ų065.6 Ų65.60%036%0.362CS..Hα-helixtrans-57.6-48.7176-75.5177.440.400113.2D4 E6 N10 E11 L12 L71 P72 Y75D4-Q8 WeakPolarHBondContact O-CB 3.14Å; D4-Q8 VanDerWaalsContact O-CG 3.24Å; D4-Q8 WeakPolarHBondContact O-CG 3.46Å; D4-Q8 PolarHBondContact O-N 3.17Å; E6-Q8 PolarHBondContact O-N 2.93Å; Q8-N10 VanDerWaalsContact C-N 3.32Å; Q8-N10 PolarHBondContact O-N 3.43Å; Q8-E11 PolarHBondContact O-N 3.29Å; Q8-L12 VanDerWaalsContact O-CG 3.29Å; Q8-L12 WeakPolarHBondContact O-CG 3.49Å; Q8-L12 PolarHBondContact O-N 3.44Å; Q8-L71 HydrophobicContact CB-CD1 4.08Å; Q8-L71 HydrophobicContact CG-CB 4.25Å; Q8-L71 HydrophobicContact CG-CD1 3.91Å; Q8-P72 PolarHBondContact NE2-O 3.3Å; Q8-Y75 HydrophobicContact CG-CD1 3.7Å; Q8-Y75 HydrophobicContact CG-CE1 4.28Å; Q8-Y75 PolarHBondContact NE2-O 3.01Å
9E91.3Very high87.5Confident42 Ų4263.9 Ų63.920%0.19635%0.35CS..Hα-helixtrans-64.8-39.5178.9-73.2-62.6148.400111.4K5 E6 A7 L12 L13 R26 Q31K5-E9 WeakPolarHBondContact O-CG 3.28Å; K5-E9 PolarHBondContact O-N 3.19Å; E6-E9 PolarHBondContact O-N 3.19Å; A7-E9 PolarHBondContact O-N 2.84Å; E9-L12 PolarHBondContact O-N 3.04Å; E9-L13 VanDerWaalsContact O-CB 3.31Å; E9-L13 WeakPolarHBondContact O-CB 3.46Å; E9-L13 WeakPolarHBondContact O-CD1 3.4Å; E9-L13 WeakPolarHBondContact O-CG 3.4Å; E9-L13 PolarHBondContact O-N 3.36Å; E9-R26 IonicContact OE1-NH2 3.3Å; E9-R26 PolarHBondContact OE1-NH2 3.35Å; E9-R26 IonicContact OE2-CZ 2.77Å; E9-R26 IonicContact OE2-NH1 3.11Å; E9-R26 PolarHBondContact OE2-NH1 3.22Å; E9-R26 IonicContact OE2-NH2 3.96Å; E9-R26 PolarHBondContact OE2-NH2 3.2Å; E9-Q31 PolarHBondContact OE1-NE2 3.44Å
10N92Very high87.2Confident87 Ų8762.4 Ų62.447%0.46534%0.341SS..Hα-helixtrans-63.7-43.5176.9-71-24.6000111.9E6 A7 Q8 L13 A14E6-N10 WeakPolarHBondContact O-CB 3.29Å; E6-N10 PolarHBondContact O-N 3.04Å; E6-N10 PolarHBondContact O-ND2 3.39Å; A7-N10 PolarHBondContact O-N 3.19Å; Q8-N10 VanDerWaalsContact C-N 3.32Å; Q8-N10 PolarHBondContact O-N 3.43Å; N10-L13 PolarHBondContact O-N 2.68Å; N10-A14 WeakPolarHBondContact O-CB 3.35Å; N10-A14 PolarHBondContact O-N 2.88Å
11E93.9Very high86.8Confident14 Ų1467.6 Ų67.67%0.06536%0.363CS..Hα-helixtrans-61.8-48176.9-170.5174.9-154.100111.4A7 Q8 L13 A14 L15 Y75 E113 V114 L115A7-E11 PolarHBondContact O-N 3.17Å; Q8-E11 PolarHBondContact O-N 3.29Å; E11-L13 VanDerWaalsContact C-N 3.34Å; E11-L13 PolarHBondContact O-N 3.34Å; E11-A14 PolarHBondContact O-N 3.45Å; E11-L15 HydrophobicContact CG-CD1 4.45Å; E11-L15 WeakPolarHBondContact O-CG 3.43Å; E11-L15 PolarHBondContact O-N 3.02Å; E11-Y75 VanDerWaalsContact CD-OH 3.3Å; E11-Y75 PolarHBondContact OE1-OH 3.22Å; E11-Y75 WeakPolarHBondContact OE2-CE1 3.46Å; E11-Y75 PolarHBondContact OE2-OH 3.4Å; E11-E113 HydrophobicContact CB-CB 4.4Å; E11-E113 HydrophobicContact CB-CG 4.16Å; E11-E113 HydrophobicContact CG-CB 4.13Å; E11-E113 HydrophobicContact CG-CG 4.44Å; E11-E113 WeakPolarHBondContact OE1-CB 3.36Å; E11-V114 PolarHBondContact OE1-N 2.8Å; E11-L115 HydrophobicContact CG-CB 4.4Å; E11-L115 HydrophobicContact CG-CD1 4.11Å; E11-L115 HydrophobicContact CG-CG 4.5Å; E11-L115 WeakPolarHBondContact OE1-CA 3.19Å; E11-L115 WeakPolarHBondContact OE1-CB 3.4Å; E11-L115 VanDerWaalsContact OE1-CG 3.31Å; E11-L115 WeakPolarHBondContact OE1-CG 3.43Å; E11-L115 PolarHBondContact OE1-N 3.36Å
12L92.2Very high87.9Confident0 Ų065.2 Ų65.20%035%0.35CS..Hα-helixtrans-64.4-38.4179.1-66174.3000112.4Q8 E9 A16 F24 F69 L71 L115Q8-L12 VanDerWaalsContact O-CG 3.29Å; Q8-L12 WeakPolarHBondContact O-CG 3.49Å; Q8-L12 PolarHBondContact O-N 3.44Å; E9-L12 PolarHBondContact O-N 3.04Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.03Å; L12-F24 HydrophobicContact CD2-CZ 3.88Å; L12-F69 HydrophobicContact CD2-CE2 3.9Å; L12-F69 HydrophobicContact CD2-CZ 3.81Å; L12-L71 HydrophobicContact CD1-CD1 4.21Å; L12-L71 HydrophobicContact CD2-CD1 4.24Å; L12-L71 HydrophobicContact CG-CD1 4.19Å; L12-L115 HydrophobicContact CD2-CD1 4.47Å
13L90.8Very high88.1Confident100 Ų10063.3 Ų63.352%0.52433%0.334SS..Hα-helixtrans-66.8-40.4175-76.8168.3000111.8E9 N10 E11 A16 S17E9-L13 VanDerWaalsContact O-CB 3.31Å; E9-L13 WeakPolarHBondContact O-CB 3.46Å; E9-L13 WeakPolarHBondContact O-CD1 3.4Å; E9-L13 WeakPolarHBondContact O-CG 3.4Å; E9-L13 PolarHBondContact O-N 3.36Å; N10-L13 PolarHBondContact O-N 2.68Å; E11-L13 VanDerWaalsContact C-N 3.34Å; E11-L13 PolarHBondContact O-N 3.34Å; L13-A16 PolarHBondContact O-N 3.33Å; L13-S17 WeakPolarHBondContact O-CB 3.42Å; L13-S17 PolarHBondContact O-N 3.02Å
14A91.3Very high88.3Confident48 Ų4855.5 Ų55.540%0.39730%0.298SS..Hα-helixtrans-62.5-46.7175.300000110.8N10 E11 A16 S17 I18N10-A14 WeakPolarHBondContact O-CB 3.35Å; N10-A14 PolarHBondContact O-N 2.88Å; E11-A14 PolarHBondContact O-N 3.45Å; A14-A16 PolarHBondContact O-N 3.06Å; A14-S17 WeakPolarHBondContact O-CB 3.42Å; A14-S17 PolarHBondContact O-N 3.06Å; A14-I18 VanDerWaalsContact O-CG1 3.26Å; A14-I18 WeakPolarHBondContact O-CG1 3.35Å; A14-I18 PolarHBondContact O-N 3.42Å
15L91.1Very high88.3Confident3 Ų360.4 Ų60.42%0.01632%0.315CS..Hα-helixtrans-60.4-44.9176.5-69.1176.9000112.2E11 S17 I18 Y19 F24 L115 F116 I119E11-L15 HydrophobicContact CG-CD1 4.45Å; E11-L15 WeakPolarHBondContact O-CG 3.43Å; E11-L15 PolarHBondContact O-N 3.02Å; L15-S17 PolarHBondContact O-N 3.35Å; L15-I18 PolarHBondContact O-N 2.74Å; L15-I18 VanDerWaalsContact O-N 3.11Å; L15-Y19 HydrophobicContact CB-CD2 4.46Å; L15-Y19 HydrophobicContact CD2-CD2 3.97Å; L15-Y19 HydrophobicContact CD2-CE2 3.66Å; L15-Y19 WeakPolarHBondContact O-CD2 3.24Å; L15-Y19 PolarHBondContact O-N 3.02Å; L15-F24 HydrophobicContact CB-CD1 4.01Å; L15-F24 HydrophobicContact CB-CE1 3.89Å; L15-F24 HydrophobicContact CB-CG 4.44Å; L15-F24 HydrophobicContact CB-CZ 4.23Å; L15-F24 HydrophobicContact CD1-CE2 4.44Å; L15-F24 HydrophobicContact CD1-CZ 4.45Å; L15-L115 HydrophobicContact CD1-CB 3.87Å; L15-L115 HydrophobicContact CD1-CD1 3.73Å; L15-L115 HydrophobicContact CD1-CG 4.49Å; L15-F116 HydrophobicContact CD2-CD2 4.48Å; L15-I119 HydrophobicContact CD1-CD1 4.46Å; L15-I119 HydrophobicContact CD2-CD1 3.59Å
16A88.1Confident88.2Confident56 Ų5660.8 Ų60.846%0.46331%0.313SS..Hα-helixtrans-65.1-18.7175.900000113.8L12 L13 A14 F24L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 3.03Å; L13-A16 PolarHBondContact O-N 3.33Å; A14-A16 PolarHBondContact O-N 3.06Å; A16-F24 HydrophobicContact CB-CD1 4.25Å; A16-F24 HydrophobicContact CB-CE1 4.1Å
17S87.4Confident88Confident105 Ų10557.3 Ų57.373%0.73430%0.303SS*.Hα-helixtrans-89.3-23.7174.1-175.50000113.1L13 A14 L15L13-S17 WeakPolarHBondContact O-CB 3.42Å; L13-S17 PolarHBondContact O-N 3.02Å; A14-S17 WeakPolarHBondContact O-CB 3.42Å; A14-S17 PolarHBondContact O-N 3.06Å; L15-S17 PolarHBondContact O-N 3.35Å
18I84.9Confident87.4Confident91 Ų9166.4 Ų66.447%0.46734%0.344SS..Hα-helixtrans-91.4-41-177.7-65.5164.2000110.4A14 L15 F116A14-I18 VanDerWaalsContact O-CG1 3.26Å; A14-I18 WeakPolarHBondContact O-CG1 3.35Å; A14-I18 PolarHBondContact O-N 3.42Å; L15-I18 PolarHBondContact O-N 2.74Å; L15-I18 VanDerWaalsContact O-N 3.11Å; I18-F116 HydrophobicContact CD1-CD2 4.25Å; I18-F116 HydrophobicContact CD1-CE2 4.18Å
19Y83.9Confident86.3Confident34 Ų3472.4 Ų72.413%0.13339%0.386CS..SBendtrans-112.1147.8-174.2-56.8-71.7000110.7L15 E23 F116 I119L15-Y19 HydrophobicContact CB-CD2 4.46Å; L15-Y19 HydrophobicContact CD2-CD2 3.97Å; L15-Y19 HydrophobicContact CD2-CE2 3.66Å; L15-Y19 WeakPolarHBondContact O-CD2 3.24Å; L15-Y19 PolarHBondContact O-N 3.02Å; Y19-E23 HydrophobicContact CD1-CB 4.49Å; Y19-E23 WeakPolarHBondContact CD1-OE2 3.48Å; Y19-F116 HydrophobicContact CE2-CD2 4.45Å; Y19-F116 WeakPolarHBondContact OH-CE2 3.23Å; Y19-I119 HydrophobicContact CD2-CD1 4.44Å; Y19-I119 HydrophobicContact CE1-CG2 4.3Å; Y19-I119 HydrophobicContact CE2-CD1 3.83Å; Y19-I119 HydrophobicContact CE2-CG2 4.36Å; Y19-I119 WeakPolarHBondContact OH-CG2 3.47Å
20D80.7Confident85.6Confident34 Ų3472.2 Ų72.218%0.18239%0.391CS..  trans-81.5175.5176.363.734.6000112.5E22 E23 F24 T247D20-E22 PolarHBondContact O-N 3.17Å; D20-E22 WeakPolarHBondContact OD1-CB 3.15Å; D20-E22 PolarHBondContact OD1-N 2.99Å; D20-E23 PolarHBondContact O-N 2.84Å; D20-E23 PolarHBondContact OD1-N 3.47Å; D20-F24 PolarHBondContact O-N 2.98Å; D20-T247 PolarHBondContact OD2-OG1 3.03Å
21E78.6Confident85Confident171 Ų17170.4 Ų70.480%0.79938%0.38SS*.THydrogen-bonded Turntrans-67.7-13.5-178-64.8-172170.100113.9R25E21-R25 WeakPolarHBondContact O-CD 3.43Å; E21-R25 WeakPolarHBondContact O-CG 3.31Å
22E78.1Confident84.8Confident114 Ų11469.8 Ų69.853%0.53338%0.377SS..THydrogen-bonded Turntrans-84.7-38.3174.1-65.2-174.1-17800110.9D20 Q250D20-E22 PolarHBondContact O-N 3.17Å; D20-E22 WeakPolarHBondContact OD1-CB 3.15Å; D20-E22 PolarHBondContact OD1-N 2.99Å; E22-Q250 PolarHBondContact OE1-NE2 3.45Å; E22-Q250 PolarHBondContact OE2-NE2 3.23Å
23E84.4Confident84.8Confident21 Ų2170.2 Ų70.210%0.09838%0.381CS..THydrogen-bonded Turntrans-80.7-37.8177.9-69-167.6119.900113.3Y19 D20 I35 Q36 K123 Q253Y19-E23 HydrophobicContact CD1-CB 4.49Å; Y19-E23 WeakPolarHBondContact CD1-OE2 3.48Å; D20-E23 PolarHBondContact O-N 2.84Å; D20-E23 PolarHBondContact OD1-N 3.47Å; E23-I35 CarbonylContact O-C 3.5Å; E23-I35 VanDerWaalsContact O-CA 3.27Å; E23-I35 WeakPolarHBondContact O-CA 3.42Å; E23-Q36 PolarHBondContact O-N 3.47Å; E23-K123 IonicContact OE1-NZ 3.2Å; E23-K123 PolarHBondContact OE1-NZ 3.08Å; E23-K123 IonicContact OE2-NZ 2.68Å; E23-Q253 PolarHBondContact OE1-NE2 3.48Å
24F91Very high84.9Confident9 Ų967.4 Ų67.44%0.03937%0.365CS..EExtended strand (participates in β ladder)trans-133.5121.8-179.8174.5-118.2000112.1L12 L15 A16 D20 R26 I35 F69L12-F24 HydrophobicContact CD2-CZ 3.88Å; L15-F24 HydrophobicContact CB-CD1 4.01Å; L15-F24 HydrophobicContact CB-CE1 3.89Å; L15-F24 HydrophobicContact CB-CG 4.44Å; L15-F24 HydrophobicContact CB-CZ 4.23Å; L15-F24 HydrophobicContact CD1-CE2 4.44Å; L15-F24 HydrophobicContact CD1-CZ 4.45Å; A16-F24 HydrophobicContact CB-CD1 4.25Å; A16-F24 HydrophobicContact CB-CE1 4.1Å; D20-F24 PolarHBondContact O-N 2.98Å; F24-R26 HydrophobicContact CE1-CB 4.17Å; F24-R26 HydrophobicContact CZ-CB 4.1Å; F24-I35 HydrophobicContact CD2-CG1 3.68Å; F24-I35 HydrophobicContact CE2-CG1 4.31Å; F24-F69 AromaticContact CE2-CE1 3.92Å; F24-F69 HydrophobicContact CE2-CE1 3.92Å; F24-F69 AromaticContact CE2-CZ 3.81Å; F24-F69 HydrophobicContact CE2-CZ 3.81Å; F24-F69 HydrophobicContact CZ-CZ 4.42Å
25R89.6Confident85Confident128 Ų12865.3 Ų65.348%0.48335%0.347SS..EExtended strand (participates in β ladder)trans-118.2109.6176-66.3-169-65.8-179.40.5110.8E21 G33 E34E21-R25 WeakPolarHBondContact O-CD 3.43Å; E21-R25 WeakPolarHBondContact O-CG 3.31Å; R25-G33 CarbonylContact O-C 3.59Å; R25-G33 WeakPolarHBondContact O-CA 3.35Å; R25-E34 IonicContact CZ-OE1 3.82Å; R25-E34 PolarHBondContact N-O 3.48Å; R25-E34 IonicContact NE-OE1 2.61Å; R25-E34 PolarHBondContact NE-OE1 3.02Å; R25-E34 IonicContact NH2-OE1 3.03Å; R25-E34 PolarHBondContact NH2-OE1 3.14Å; R25-E34 IonicContact NH2-OE2 3.46Å; R25-E34 PolarHBondContact O-N 2.69Å
26R89.3Confident85Confident97 Ų9767.9 Ų67.937%0.36636%0.359SS..EExtended strand (participates in β ladder)trans-72134.5172.8-174.8176173.31652.6110.3E9 F24E9-R26 IonicContact OE1-NH2 3.3Å; E9-R26 PolarHBondContact OE1-NH2 3.35Å; E9-R26 IonicContact OE2-CZ 2.77Å; E9-R26 IonicContact OE2-NH1 3.11Å; E9-R26 PolarHBondContact OE2-NH1 3.22Å; E9-R26 IonicContact OE2-NH2 3.96Å; E9-R26 PolarHBondContact OE2-NH2 3.2Å; F24-R26 HydrophobicContact CE1-CB 4.17Å; F24-R26 HydrophobicContact CZ-CB 4.1Å
27A86.7Confident84.9Confident36 Ų3665.2 Ų65.230%0.29834%0.337SS..  trans-71.4136.1174.300000111S29 A30 G32A27-S29 VanDerWaalsContact C-N 3.35Å; A27-S29 PolarHBondContact O-N 2.91Å; A27-A30 HydrophobicContact CB-CB 4.34Å; A27-G32 WeakPolarHBondContact CB-O 3.39Å; A27-G32 PolarHBondContact N-O 3.48Å
28E77.5Confident84.7Confident205 Ų20562.6 Ų62.696%0.95832%0.319SS*.SBendtrans-71.5-28.6-178.5-64.8-176.9172.700113.3
29S70.7Confident84.5Confident126 Ų12659.1 Ų59.188%0.88130%0.301SS*.SBendtrans-115.3-9.5-168.856.70000114.9A27A27-S29 VanDerWaalsContact C-N 3.35Å; A27-S29 PolarHBondContact O-N 2.91Å
30A74.6Confident84.1Confident37 Ų3765.2 Ų65.231%0.30633%0.33SS..SBendtrans-131.6152.3-178.600000110.5A27 G32A27-A30 HydrophobicContact CB-CB 4.34Å; A30-G32 PolarHBondContact O-N 3.32Å
31Q80.8Confident83.8Confident50 Ų5065.1 Ų65.123%0.23433%0.33CS..SBendtrans-76.976.3170-66.3-163.6-62.900108.4E9 L71E9-Q31 PolarHBondContact OE1-NE2 3.44Å; Q31-L71 HydrophobicContact CB-CB 4.38Å; Q31-L71 VanDerWaalsContact O-CB 3.3Å; Q31-L71 WeakPolarHBondContact O-CB 3.31Å; Q31-L71 PolarHBondContact O-N 3.4Å
32G88.9Confident83.6Confident0 Ų060.3 Ų60.30%031%0.314CS..EExtended strand (participates in β ladder)trans-165.9-176.5-174.300000111.8A27 A30 F69A27-G32 WeakPolarHBondContact CB-O 3.39Å; A27-G32 PolarHBondContact N-O 3.48Å; A30-G32 PolarHBondContact O-N 3.32Å; G32-F69 CarbonylContact C-O 3.27Å; G32-F69 WeakPolarHBondContact CA-O 3.24Å
33G92.5Very high83.2Confident9 Ų960.8 Ų60.89%0.09333%0.326CS..EExtended strand (participates in β ladder)trans-174.6177.8-179.800000114.1R25 F69R25-G33 CarbonylContact O-C 3.59Å; R25-G33 WeakPolarHBondContact O-CA 3.35Å; G33-F69 PolarHBondContact N-O 2.91Å; G33-F69 VanDerWaalsContact O-CD1 3.29Å; G33-F69 WeakPolarHBondContact O-CD1 3.47Å; G33-F69 PolarHBondContact O-N 3.39Å
34E93.9Very high82.5Confident42 Ų4266.3 Ų66.320%0.19636%0.357CS..EExtended strand (participates in β ladder)trans-114.7136.2171.8-177.5-174.494.900108.8R25 Q36 V66 L67 N68R25-E34 IonicContact CZ-OE1 3.82Å; R25-E34 PolarHBondContact N-O 3.48Å; R25-E34 IonicContact NE-OE1 2.61Å; R25-E34 PolarHBondContact NE-OE1 3.02Å; R25-E34 IonicContact NH2-OE1 3.03Å; R25-E34 PolarHBondContact NH2-OE1 3.14Å; R25-E34 IonicContact NH2-OE2 3.46Å; R25-E34 PolarHBondContact O-N 2.69Å; E34-Q36 PolarHBondContact OE1-NE2 3.31Å; E34-V66 HydrophobicContact CG-CG1 3.49Å; E34-V66 VanDerWaalsContact CG-CG1 3.49Å; E34-L67 CarbonylContact C-O 3.56Å; E34-L67 WeakPolarHBondContact CA-O 3.21Å; E34-N68 WeakPolarHBondContact CB-OD1 3.48Å; E34-N68 VanDerWaalsContact CG-OD1 3.27Å; E34-N68 WeakPolarHBondContact CG-OD1 3.26Å
35I92.6Very high81.9Confident3 Ų366 Ų662%0.01536%0.355CS..EExtended strand (participates in β ladder)trans-120.2127.1172.5-57.2152.6000109E23 F24 L37 V66 L67 F69 I119E23-I35 CarbonylContact O-C 3.5Å; E23-I35 VanDerWaalsContact O-CA 3.27Å; E23-I35 WeakPolarHBondContact O-CA 3.42Å; F24-I35 HydrophobicContact CD2-CG1 3.68Å; F24-I35 HydrophobicContact CE2-CG1 4.31Å; I35-L37 HydrophobicContact CG2-CD2 3.57Å; I35-L37 HydrophobicContact CG2-CG 3.91Å; I35-V66 WeakPolarHBondContact O-CA 3.48Å; I35-L67 HydrophobicContact CB-CB 4.37Å; I35-L67 HydrophobicContact CD1-CD2 3.9Å; I35-L67 HydrophobicContact CD1-CG 4.45Å; I35-L67 PolarHBondContact N-O 3.18Å; I35-L67 PolarHBondContact O-N 2.91Å; I35-F69 HydrophobicContact CD1-CD1 3.89Å; I35-F69 HydrophobicContact CD1-CE1 3.55Å; I35-F69 HydrophobicContact CG1-CD1 4.45Å; I35-F69 HydrophobicContact CG1-CE1 3.92Å; I35-I119 HydrophobicContact CD1-CD1 3.73Å; I35-I119 HydrophobicContact CD1-CG1 3.83Å; I35-I119 HydrophobicContact CG1-CD1 4.36Å; I35-I119 HydrophobicContact CG2-CD1 4.3Å; I35-I119 HydrophobicContact CG2-CG1 4.15Å
36Q90.2Very high81.5Confident57 Ų5763 Ų6327%0.26635%0.346SS..EExtended strand (participates in β ladder)trans-102.7118.3175.1-58.4-165.6500110.3E23 E34 P64 V66E23-Q36 PolarHBondContact O-N 3.47Å; E34-Q36 PolarHBondContact OE1-NE2 3.31Å; Q36-P64 HydrophobicContact CB-CB 4.13Å; Q36-P64 HydrophobicContact CB-CG 4.43Å; Q36-V66 HydrophobicContact CG-CG2 4.39Å
37L86.6Confident81.2Confident0 Ų058.4 Ų58.40%033%0.328CS..EExtended strand (participates in β ladder)trans-112.9102.8-169.9-55.6158.7000110I35 P64 L65 L67 I119 L122 K123I35-L37 HydrophobicContact CG2-CD2 3.57Å; I35-L37 HydrophobicContact CG2-CG 3.91Å; L37-P64 CarbonylContact O-C 3.47Å; L37-P64 VanDerWaalsContact O-CA 3.27Å; L37-P64 WeakPolarHBondContact O-CA 3.44Å; L37-L65 HydrophobicContact CB-CB 4.26Å; L37-L65 VanDerWaalsContact CB-O 3.29Å; L37-L65 WeakPolarHBondContact CB-O 3.48Å; L37-L65 HydrophobicContact CD1-CD2 4.27Å; L37-L65 HydrophobicContact CD1-CG 4.41Å; L37-L65 PolarHBondContact N-O 2.99Å; L37-L65 PolarHBondContact O-N 3.34Å; L37-L67 HydrophobicContact CD1-CB 4.3Å; L37-I119 HydrophobicContact CD2-CB 4.38Å; L37-I119 HydrophobicContact CD2-CG1 4.42Å; L37-I119 HydrophobicContact CD2-CG2 3.78Å; L37-L122 HydrophobicContact CD1-CB 3.65Å; L37-L122 HydrophobicContact CD1-CD1 3.48Å; L37-L122 VanDerWaalsContact CD1-CD1 3.48Å; L37-L122 HydrophobicContact CD1-CG 4.21Å; L37-K123 HydrophobicContact CB-CG 4.35Å; L37-K123 HydrophobicContact CD2-CD 4.24Å; L37-K123 HydrophobicContact CD2-CG 3.88Å
38C83.2Confident81Confident51 Ų5157.4 Ų57.435%0.34532%0.318SS..  trans-77.3119.3167.7-66.10000109.4
39L81.6Confident81.1Confident18 Ų1847.9 Ų47.99%0.09427%0.274CS..  trans-80.3140.2178.2-62.6179.6000111.2L41 W89 L122 T126 L127L39-L41 PolarHBondContact O-N 3.21Å; L39-W89 HydrophobicContact CD1-CH2 3.19Å; L39-W89 HydrophobicContact CD1-CZ2 3.21Å; L39-W89 HydrophobicContact CD1-CZ3 4.46Å; L39-W89 HydrophobicContact CG-CZ2 4.25Å; L39-L122 WeakPolarHBondContact CD2-O 3.49Å; L39-T126 HydrophobicContact CD1-CG2 4.12Å; L39-T126 HydrophobicContact CD2-CG2 4.34Å; L39-L127 HydrophobicContact CD1-CD2 3.96Å; L39-L127 HydrophobicContact CD1-CG 4.31Å
40E73.8Confident81Confident161 Ų16146.1 Ų46.175%0.75225%0.25SS*.  trans-75.4112.4171.3-64.7-171.5175.300110L127E40-L127 VanDerWaalsContact O-CD1 3.26Å; E40-L127 WeakPolarHBondContact O-CD1 3.27Å
41L75.6Confident80.7Confident33 Ų3346 Ų4617%0.17325%0.252CS..PPolyproline II helixtrans-87.4140.9178.6-57.1-176.9000111.1L39 F45 V59 C60 L62 L127L39-L41 PolarHBondContact O-N 3.21Å; L41-F45 HydrophobicContact CB-CB 4.22Å; L41-F45 HydrophobicContact CB-CG 4.44Å; L41-F45 HydrophobicContact CD1-CB 4.43Å; L41-F45 HydrophobicContact CD1-CD1 4.23Å; L41-F45 HydrophobicContact CD1-CG 4.4Å; L41-V59 HydrophobicContact CD1-CG2 4.46Å; L41-C60 WeakPolarHBondContact CD1-O 3.42Å; L41-L62 HydrophobicContact CD1-CB 4.49Å; L41-L62 HydrophobicContact CD1-CD1 4.33Å; L41-L62 HydrophobicContact CD1-CG 3.83Å; L41-L62 HydrophobicContact CD2-CD1 3.76Å; L41-L62 HydrophobicContact CD2-CG 4.12Å; L41-L127 HydrophobicContact CD2-CD1 4.05Å
42P74.9Confident79.6Confident70 Ų7053.5 Ų53.546%0.45529%0.287SS..PPolyproline II helixtrans-57.2154.8167.8-23.933.1000112.6F45P42-F45 PolarHBondContact O-N 2.87Å
43P69Low78.2Confident123 Ų12362.2 Ų62.280%0.79933%0.326SS*.THydrogen-bonded Turntrans-59.2144.5174.225.7-33.7000111.2F45P43-F45 VanDerWaalsContact C-N 3.3Å; P43-F45 PolarHBondContact O-N 3.39Å
44D69.4Low77.4Confident138 Ų13866.5 Ų66.574%0.73835%0.35SS*.THydrogen-bonded Turntrans57.536.3-178.3-57.1-44.2000114.4K46D44-K46 PolarHBondContact O-N 2.88Å
45F78.3Confident76.7Confident1 Ų166 Ų660%0.00435%0.353CS..  trans-64.1134.4175-164-92.9000111.6L41 P42 P43 L47 N58 V59 L62 I132 L136L41-F45 HydrophobicContact CB-CB 4.22Å; L41-F45 HydrophobicContact CB-CG 4.44Å; L41-F45 HydrophobicContact CD1-CB 4.43Å; L41-F45 HydrophobicContact CD1-CD1 4.23Å; L41-F45 HydrophobicContact CD1-CG 4.4Å; P42-F45 PolarHBondContact O-N 2.87Å; P43-F45 VanDerWaalsContact C-N 3.3Å; P43-F45 PolarHBondContact O-N 3.39Å; F45-L47 HydrophobicContact CE1-CD2 4.16Å; F45-N58 WeakPolarHBondContact O-CA 3.46Å; F45-V59 HydrophobicContact CD1-CG2 3.71Å; F45-V59 HydrophobicContact CE1-CG2 4.46Å; F45-V59 PolarHBondContact O-N 3.48Å; F45-V59 VanDerWaalsContact O-O 3.12Å; F45-L62 HydrophobicContact CE1-CD1 4.38Å; F45-I132 HydrophobicContact CZ-CG2 4.15Å; F45-L136 HydrophobicContact CE1-CB 3.83Å; F45-L136 HydrophobicContact CE1-CD2 4.49Å; F45-L136 HydrophobicContact CZ-CB 3.81Å
46K81.9Confident76.3Confident66 Ų6671.3 Ų71.329%0.28738%0.378SS..EExtended strand (participates in β ladder)trans-120.6144.3-174.9-74.1174.3174.8-163.30112D44 E56 Y57 N58 S134 P135 L136D44-K46 PolarHBondContact O-N 2.88Å; K46-E56 IonicContact NZ-OE2 2.65Å; K46-E56 PolarHBondContact NZ-OE2 2.9Å; K46-Y57 CarbonylContact C-O 3.44Å; K46-Y57 VanDerWaalsContact CA-O 3.24Å; K46-Y57 WeakPolarHBondContact CA-O 3.41Å; K46-N58 VanDerWaalsContact CE-OD1 3.28Å; K46-N58 WeakPolarHBondContact CE-OD1 3.45Å; K46-N58 WeakPolarHBondContact CG-OD1 3.24Å; K46-S134 PolarHBondContact N-OG 3.14Å; K46-P135 HydrophobicContact CB-CB 3.7Å; K46-P135 CarbonylContact O-C 3.58Å; K46-P135 WeakPolarHBondContact O-CA 3.48Å; K46-L136 PolarHBondContact O-N 2.81Å
47L82.9Confident75.7Confident0 Ų072.7 Ų72.70%038%0.381CS..EExtended strand (participates in β ladder)trans-99.7131.2165.2-57.4-178.5000109.2F45 E56 Y57 V59 L62 L136 L138 L206 L209F45-L47 HydrophobicContact CE1-CD2 4.16Å; L47-E56 CarbonylContact O-C 3.42Å; L47-E56 VanDerWaalsContact O-CA 3.31Å; L47-E56 WeakPolarHBondContact O-CA 3.24Å; L47-Y57 PolarHBondContact N-O 3.1Å; L47-Y57 PolarHBondContact O-N 3.1Å; L47-V59 HydrophobicContact CD1-CG1 3.63Å; L47-V59 HydrophobicContact CD1-CG2 4.21Å; L47-V59 HydrophobicContact CD2-CG2 4.06Å; L47-V59 HydrophobicContact CG-CG1 3.9Å; L47-V59 HydrophobicContact CG-CG2 3.76Å; L47-L62 HydrophobicContact CD2-CD2 4.26Å; L47-L136 HydrophobicContact CD2-CB 3.9Å; L47-L136 HydrophobicContact CD2-CD2 3.82Å; L47-L136 HydrophobicContact CD2-CG 4.28Å; L47-L138 HydrophobicContact CD1-CD1 4.4Å; L47-L206 HydrophobicContact CD1-CD1 4.47Å; L47-L209 HydrophobicContact CD1-CB 4.06Å; L47-L209 HydrophobicContact CD1-CD1 4.12Å
48L81.4Confident75.4Confident16 Ų1676.9 Ų76.98%0.08440%0.404CS..EExtended strand (participates in β ladder)trans-109.8115.1173.7-170.874.2000109.6K50 T54 E56 P135 L136 E137 L138L48-K50 HydrophobicContact CD2-CG 4.38Å; L48-T54 HydrophobicContact CD1-CG2 3.31Å; L48-T54 HydrophobicContact CD2-CG2 4.36Å; L48-T54 HydrophobicContact CG-CG2 3.93Å; L48-E56 HydrophobicContact CD1-CG 3.56Å; L48-P135 HydrophobicContact CB-CB 3.89Å; L48-P135 HydrophobicContact CB-CG 4.06Å; L48-P135 HydrophobicContact CD2-CG 4.37Å; L48-L136 PolarHBondContact N-O 3.23Å; L48-E137 HydrophobicContact CD2-CG 4.17Å; L48-E137 CarbonylContact O-C 3.6Å; L48-E137 WeakPolarHBondContact O-CA 3.41Å; L48-L138 PolarHBondContact O-N 2.92Å
49V79.7Confident75.1Confident5 Ų574.7 Ų74.73%0.0339%0.388CS..EExtended strand (participates in β ladder)trans-100.7117.6174.7-174.10000109.8G51 A55 Y57 L138 R140 L206V49-G51 PolarHBondContact O-N 2.78Å; V49-A55 PolarHBondContact N-O 2.81Å; V49-A55 PolarHBondContact O-N 2.98Å; V49-Y57 HydrophobicContact CG2-CE2 4.37Å; V49-L138 HydrophobicContact CG2-CB 4.19Å; V49-L138 HydrophobicContact CG2-CD1 4.01Å; V49-R140 HydrophobicContact CG1-CG 4.03Å; V49-L206 HydrophobicContact CB-CD2 4.46Å; V49-L206 HydrophobicContact CG2-CB 4.28Å; V49-L206 HydrophobicContact CG2-CD1 3.62Å; V49-L206 HydrophobicContact CG2-CD2 3.77Å; V49-L206 HydrophobicContact CG2-CG 4.07Å
50K68.6Low74.6Confident88 Ų8877 Ų7738%0.38341%0.405SS..EExtended strand (participates in β ladder)trans-92.994.4177-69.8-178.2179.5169.70109.7L48 E137 L138L48-K50 HydrophobicContact CD2-CG 4.38Å; K50-E137 VanDerWaalsContact CE-OE1 3.3Å; K50-E137 WeakPolarHBondContact CE-OE1 3.34Å; K50-E137 WeakPolarHBondContact CE-OE2 3.37Å; K50-E137 IonicContact NZ-OE1 2.63Å; K50-E137 PolarHBondContact NZ-OE1 3.05Å; K50-E137 IonicContact NZ-OE2 3.92Å; K50-E137 PolarHBondContact NZ-OE2 2.88Å; K50-L138 PolarHBondContact N-O 2.86Å
51G68.1Low74.9Confident34 Ų3471.7 Ų71.735%0.35138%0.38SS..SBendtrans-115-147.4169.600000112.3V49 K53V49-G51 PolarHBondContact O-N 2.78Å; G51-K53 PolarHBondContact O-N 2.92Å
52E58Low75.2Confident208 Ų20870.4 Ų70.497%0.97237%0.373SS*.SBendtrans-64.3-23.8170.2-68-173.5159.200112.7
53K59.5Low75.6Confident184 Ų18467.4 Ų67.480%0.835%0.354SS*.SBendtrans-130.7139168.2-67.8-179.2-179.6177.20108.3G51G51-K53 PolarHBondContact O-N 2.92Å
54T77.2Confident76.5Confident98 Ų9862.8 Ų62.860%0.60132%0.324SS*.EExtended strand (participates in β ladder)trans-76.8126.4172.2-51.60000109L48L48-T54 HydrophobicContact CD1-CG2 3.31Å; L48-T54 HydrophobicContact CD2-CG2 4.36Å; L48-T54 HydrophobicContact CG-CG2 3.93Å
55A78.1Confident77.4Confident32 Ų3256.2 Ų56.226%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-126.2138.9176.400000110.4V49 Y57V49-A55 PolarHBondContact N-O 2.81Å; V49-A55 PolarHBondContact O-N 2.98Å; A55-Y57 HydrophobicContact CB-CE2 3.7Å
56E83.8Confident78.1Confident114 Ų11456.9 Ų56.953%0.53329%0.293SS..EExtended strand (participates in β ladder)trans-109.3135.1177-73.9-179.6-156.800110.3K46 L47 L48K46-E56 IonicContact NZ-OE2 2.65Å; K46-E56 PolarHBondContact NZ-OE2 2.9Å; L47-E56 CarbonylContact O-C 3.42Å; L47-E56 VanDerWaalsContact O-CA 3.31Å; L47-E56 WeakPolarHBondContact O-CA 3.24Å; L48-E56 HydrophobicContact CD1-CG 3.56Å
57Y78.9Confident78.7Confident87 Ų8753.8 Ų53.834%0.34128%0.279SS..EExtended strand (participates in β ladder)trans-128.4130.1177-60.2-94.7000110.2K46 L47 V49 A55 L206 L210K46-Y57 CarbonylContact C-O 3.44Å; K46-Y57 VanDerWaalsContact CA-O 3.24Å; K46-Y57 WeakPolarHBondContact CA-O 3.41Å; L47-Y57 PolarHBondContact N-O 3.1Å; L47-Y57 PolarHBondContact O-N 3.1Å; V49-Y57 HydrophobicContact CG2-CE2 4.37Å; A55-Y57 HydrophobicContact CB-CE2 3.7Å; Y57-L206 HydrophobicContact CD2-CD1 3.88Å; Y57-L206 HydrophobicContact CD2-CD2 4.37Å; Y57-L206 HydrophobicContact CE2-CD1 4Å; Y57-L206 HydrophobicContact CE2-CD2 3.63Å; Y57-L206 HydrophobicContact CE2-CG 4.4Å; Y57-L206 HydrophobicContact CG-CD1 4.38Å; Y57-L210 HydrophobicContact CD1-CD1 3.7Å; Y57-L210 HydrophobicContact CD1-CD2 3.94Å; Y57-L210 HydrophobicContact CD1-CG 4.48Å; Y57-L210 HydrophobicContact CE1-CD1 3.77Å; Y57-L210 HydrophobicContact CG-CD1 4.27Å; Y57-L210 HydrophobicContact CG-CD2 4.04Å
58N78.7Confident79.2Confident88 Ų8856.3 Ų56.347%0.47129%0.293SS..EExtended strand (participates in β ladder)trans-83.1123.9174.4-63.2-48.8000109.8F45 K46 R217F45-N58 WeakPolarHBondContact O-CA 3.46Å; K46-N58 VanDerWaalsContact CE-OD1 3.28Å; K46-N58 WeakPolarHBondContact CE-OD1 3.45Å; K46-N58 WeakPolarHBondContact CG-OD1 3.24Å; N58-R217 PolarHBondContact O-NH1 3.18Å; N58-R217 PolarHBondContact O-NH2 3.48Å
59V78.3Confident79.8Confident4 Ų455.8 Ų55.82%0.02429%0.29CS..  trans-122.6142.3176.6-63.20000110.2L41 F45 L47 L62 L210 D213L41-V59 HydrophobicContact CD1-CG2 4.46Å; F45-V59 HydrophobicContact CD1-CG2 3.71Å; F45-V59 HydrophobicContact CE1-CG2 4.46Å; F45-V59 PolarHBondContact O-N 3.48Å; F45-V59 VanDerWaalsContact O-O 3.12Å; L47-V59 HydrophobicContact CD1-CG1 3.63Å; L47-V59 HydrophobicContact CD1-CG2 4.21Å; L47-V59 HydrophobicContact CD2-CG2 4.06Å; L47-V59 HydrophobicContact CG-CG1 3.9Å; L47-V59 HydrophobicContact CG-CG2 3.76Å; V59-L62 HydrophobicContact CG2-CD2 4.42Å; V59-L210 HydrophobicContact CG1-CD2 4.11Å; V59-D213 HydrophobicContact CB-CB 4.33Å; V59-D213 HydrophobicContact CG1-CB 4.13Å
60C70.8Confident80.5Confident67 Ų6761.2 Ų61.245%0.45332%0.315SS..SBendtrans-101.3-21.6172.6-64.70000111.7L41 D213 R217L41-C60 WeakPolarHBondContact CD1-O 3.42Å; C60-D213 PolarHBondContact N-OD1 3.33Å; C60-R217 PolarHBondContact SG-NE 3.06Å; C60-R217 VanDerWaalsContact SG-NE 3.36Å; C60-R217 PolarHBondContact SG-NH2 3.08Å
61F79.6Confident81.7Confident49 Ų4957.8 Ų57.822%0.21530%0.3CS..  trans-134.4142.2-175.9-52.6-81.3000111.6F212 D213 Q216 R217F61-F212 HydrophobicContact CB-CD1 4.34Å; F61-F212 HydrophobicContact CB-CE1 4.06Å; F61-D213 PolarHBondContact N-OD1 2.89Å; F61-Q216 HydrophobicContact CB-CB 3.98Å; F61-Q216 HydrophobicContact CB-CG 4.18Å; F61-Q216 HydrophobicContact CD1-CB 4.18Å; F61-Q216 HydrophobicContact CD2-CB 3.4Å; F61-Q216 VanDerWaalsContact CD2-CB 3.4Å; F61-Q216 HydrophobicContact CD2-CG 4.46Å; F61-Q216 HydrophobicContact CE2-CB 3.86Å; F61-Q216 HydrophobicContact CG-CB 3.58Å; F61-Q216 HydrophobicContact CG-CG 4.2Å; F61-Q216 HydrophobicContact CZ-CB 4.42Å; F61-R217 HydrophobicContact CD2-CG 4.12Å; F61-R217 HydrophobicContact CE2-CG 3.86Å
62L82.6Confident82.8Confident7 Ų757.5 Ų57.54%0.03729%0.292CS..  trans-116.2147.5169.4-71.8178.8000109.8L41 F45 L47 V59 W89 L136 L209 F212L41-L62 HydrophobicContact CD1-CB 4.49Å; L41-L62 HydrophobicContact CD1-CD1 4.33Å; L41-L62 HydrophobicContact CD1-CG 3.83Å; L41-L62 HydrophobicContact CD2-CD1 3.76Å; L41-L62 HydrophobicContact CD2-CG 4.12Å; F45-L62 HydrophobicContact CE1-CD1 4.38Å; L47-L62 HydrophobicContact CD2-CD2 4.26Å; V59-L62 HydrophobicContact CG2-CD2 4.42Å; L62-W89 HydrophobicContact CD1-CD2 3.8Å; L62-W89 HydrophobicContact CD1-CE3 3.81Å; L62-W89 HydrophobicContact CD1-CG 4.4Å; L62-W89 HydrophobicContact CD1-CH2 4.23Å; L62-W89 HydrophobicContact CD1-CZ2 4.22Å; L62-W89 HydrophobicContact CD1-CZ3 4Å; L62-L136 HydrophobicContact CD1-CD2 4.49Å; L62-L209 HydrophobicContact CD2-CD2 4.29Å; L62-F212 VanDerWaalsContact O-CE1 3.26Å; L62-F212 WeakPolarHBondContact O-CE1 2.93Å
63P83.4Confident84.4Confident6 Ų651.5 Ų51.54%0.03928%0.279CS..PPolyproline II helixtrans-53.7145.2172.6-26.234.3000111.8K88 W89 L209 F212P63-K88 HydrophobicContact CB-CB 4.46Å; P63-K88 HydrophobicContact CB-CD 4.24Å; P63-W89 PolarHBondContact O-NE1 2.77Å; P63-L209 HydrophobicContact CG-CD2 3.58Å; P63-F212 HydrophobicContact CG-CB 4.11Å; P63-F212 HydrophobicContact CG-CD1 4.02Å; P63-F212 HydrophobicContact CG-CD2 4.48Å; P63-F212 HydrophobicContact CG-CG 3.94Å
64P86.8Confident85.9Confident26 Ų2645.8 Ų45.817%0.16926%0.257CS..PPolyproline II helixtrans-62.9145.8-173.624.3-33.4000112.2Q36 L37Q36-P64 HydrophobicContact CB-CB 4.13Å; Q36-P64 HydrophobicContact CB-CG 4.43Å; L37-P64 CarbonylContact O-C 3.47Å; L37-P64 VanDerWaalsContact O-CA 3.27Å; L37-P64 WeakPolarHBondContact O-CA 3.44Å
65L90Very high86.6Confident0 Ų041.1 Ų41.10%023%0.228CC..EExtended strand (participates in β ladder)trans-76.4126161.8174.270.6000107.5L37 L85 S86 M90 L95 L98 L122L37-L65 HydrophobicContact CB-CB 4.26Å; L37-L65 VanDerWaalsContact CB-O 3.29Å; L37-L65 WeakPolarHBondContact CB-O 3.48Å; L37-L65 HydrophobicContact CD1-CD2 4.27Å; L37-L65 HydrophobicContact CD1-CG 4.41Å; L37-L65 PolarHBondContact N-O 2.99Å; L37-L65 PolarHBondContact O-N 3.34Å; L65-L85 HydrophobicContact CD1-CD2 4.47Å; L65-L85 HydrophobicContact CD2-CD2 4.43Å; L65-L85 HydrophobicContact CG-CD2 4.45Å; L65-S86 WeakPolarHBondContact CD1-O 3.14Å; L65-M90 HydrophobicContact CD1-SD 4.18Å; L65-L95 HydrophobicContact CD1-CD2 3.73Å; L65-L98 HydrophobicContact CD2-CD1 4.09Å; L65-L122 HydrophobicContact CD2-CB 4.36Å; L65-L122 HydrophobicContact CD2-CD1 4.45Å; L65-L122 HydrophobicContact CD2-CD2 3.88Å; L65-L122 HydrophobicContact CD2-CG 4.46Å
66V92.6Very high87.2Confident16 Ų1639.9 Ų39.910%0.09722%0.217CC..EExtended strand (participates in β ladder)trans-105.8122.4-176.8-176.50000109.5E34 I35 Q36 S86E34-V66 HydrophobicContact CG-CG1 3.49Å; E34-V66 VanDerWaalsContact CG-CG1 3.49Å; I35-V66 WeakPolarHBondContact O-CA 3.48Å; Q36-V66 HydrophobicContact CG-CG2 4.39Å; V66-S86 WeakPolarHBondContact CB-OG 3.37Å; V66-S86 PolarHBondContact N-O 2.68Å; V66-S86 PolarHBondContact O-N 3Å
67L94.3Very high87.4Confident0 Ų037.6 Ų37.60%021%0.214CC..EExtended strand (participates in β ladder)trans-105.1112.3173.2171.165000108.7E34 I35 L37 F83 L85 L102 W118 L122E34-L67 CarbonylContact C-O 3.56Å; E34-L67 WeakPolarHBondContact CA-O 3.21Å; I35-L67 HydrophobicContact CB-CB 4.37Å; I35-L67 HydrophobicContact CD1-CD2 3.9Å; I35-L67 HydrophobicContact CD1-CG 4.45Å; I35-L67 PolarHBondContact N-O 3.18Å; I35-L67 PolarHBondContact O-N 2.91Å; L37-L67 HydrophobicContact CD1-CB 4.3Å; L67-F83 HydrophobicContact CD1-CB 3.85Å; L67-F83 HydrophobicContact CD1-CD2 3.89Å; L67-F83 HydrophobicContact CD1-CG 4.19Å; L67-L85 HydrophobicContact CB-CD2 3.88Å; L67-L85 HydrophobicContact CD1-CD2 3.65Å; L67-L85 HydrophobicContact CD1-CG 4.32Å; L67-L85 HydrophobicContact CG-CD2 4.32Å; L67-L102 HydrophobicContact CD1-CD1 4.48Å; L67-W118 HydrophobicContact CD2-CE3 4.24Å; L67-L122 HydrophobicContact CD2-CD1 4.07Å
68N93.3Very high87.9Confident53 Ų5338.3 Ų38.328%0.28323%0.228SC..EExtended strand (participates in β ladder)trans-98.1134.9169.4-70.7-56.7000109E34 F83 S84E34-N68 WeakPolarHBondContact CB-OD1 3.48Å; E34-N68 VanDerWaalsContact CG-OD1 3.27Å; E34-N68 WeakPolarHBondContact CG-OD1 3.26Å; N68-F83 CarbonylContact O-C 3.48Å; N68-F83 WeakPolarHBondContact O-CA 3.37Å; N68-F83 WeakPolarHBondContact O-CB 3.16Å; N68-S84 PolarHBondContact N-O 3.38Å; N68-S84 PolarHBondContact O-N 2.91Å
69F94.2Very high88.6Confident6 Ų635.2 Ų35.23%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-142.8153.6179.972.4-85.4000113.2L12 F24 G32 G33 I35 L71 V82 F83 L115L12-F69 HydrophobicContact CD2-CE2 3.9Å; L12-F69 HydrophobicContact CD2-CZ 3.81Å; F24-F69 AromaticContact CE2-CE1 3.92Å; F24-F69 HydrophobicContact CE2-CE1 3.92Å; F24-F69 AromaticContact CE2-CZ 3.81Å; F24-F69 HydrophobicContact CE2-CZ 3.81Å; F24-F69 HydrophobicContact CZ-CZ 4.42Å; G32-F69 CarbonylContact C-O 3.27Å; G32-F69 WeakPolarHBondContact CA-O 3.24Å; G33-F69 PolarHBondContact N-O 2.91Å; G33-F69 VanDerWaalsContact O-CD1 3.29Å; G33-F69 WeakPolarHBondContact O-CD1 3.47Å; G33-F69 PolarHBondContact O-N 3.39Å; I35-F69 HydrophobicContact CD1-CD1 3.89Å; I35-F69 HydrophobicContact CD1-CE1 3.55Å; I35-F69 HydrophobicContact CG1-CD1 4.45Å; I35-F69 HydrophobicContact CG1-CE1 3.92Å; F69-L71 HydrophobicContact CD2-CD2 3.84Å; F69-L71 HydrophobicContact CD2-CG 4.12Å; F69-L71 HydrophobicContact CE2-CD1 4.34Å; F69-L71 HydrophobicContact CE2-CD2 4.05Å; F69-L71 HydrophobicContact CE2-CG 4.04Å; F69-V82 CarbonylContact C-O 3.59Å; F69-V82 WeakPolarHBondContact CA-O 3.47Å; F69-F83 HydrophobicContact CB-CB 4.13Å; F69-L115 HydrophobicContact CD1-CD2 4.38Å; F69-L115 HydrophobicContact CD2-CD1 4.03Å; F69-L115 HydrophobicContact CD2-CD2 3.89Å; F69-L115 HydrophobicContact CE1-CD1 4.37Å; F69-L115 HydrophobicContact CE2-CD1 3.4Å; F69-L115 VanDerWaalsContact CE2-CD1 3.4Å; F69-L115 HydrophobicContact CE2-CD2 4.1Å; F69-L115 HydrophobicContact CE2-CG 4.42Å; F69-L115 HydrophobicContact CG-CD2 4.04Å; F69-L115 HydrophobicContact CZ-CD1 3.6Å; F69-L115 HydrophobicContact CZ-CD2 4.44Å
70E93.8Very high89.3Confident119 Ų11937.2 Ų37.256%0.55623%0.226SC*.EExtended strand (participates in β ladder)trans-132.3136.4170.4-67-176.2176.400108.8P72 V82E70-P72 WeakPolarHBondContact O-CD 3.39Å; E70-V82 HydrophobicContact CB-CB 4.48Å; E70-V82 PolarHBondContact N-O 3.26Å; E70-V82 PolarHBondContact O-N 2.96Å
71L93.1Very high90.4Very high15 Ų1534.1 Ų34.18%0.07921%0.205CC..  trans-94.7118.6-178.6-55.9-180000109.3Q8 L12 Q31 F69 Y75 P81 L115Q8-L71 HydrophobicContact CB-CD1 4.08Å; Q8-L71 HydrophobicContact CG-CB 4.25Å; Q8-L71 HydrophobicContact CG-CD1 3.91Å; L12-L71 HydrophobicContact CD1-CD1 4.21Å; L12-L71 HydrophobicContact CD2-CD1 4.24Å; L12-L71 HydrophobicContact CG-CD1 4.19Å; Q31-L71 HydrophobicContact CB-CB 4.38Å; Q31-L71 VanDerWaalsContact O-CB 3.3Å; Q31-L71 WeakPolarHBondContact O-CB 3.31Å; Q31-L71 PolarHBondContact O-N 3.4Å; F69-L71 HydrophobicContact CD2-CD2 3.84Å; F69-L71 HydrophobicContact CD2-CG 4.12Å; F69-L71 HydrophobicContact CE2-CD1 4.34Å; F69-L71 HydrophobicContact CE2-CD2 4.05Å; F69-L71 HydrophobicContact CE2-CG 4.04Å; L71-Y75 HydrophobicContact CB-CD1 4.33Å; L71-Y75 HydrophobicContact CD1-CD1 4.39Å; L71-Y75 HydrophobicContact CD1-CE1 4.29Å; L71-Y75 HydrophobicContact CD2-CD1 3.9Å; L71-Y75 HydrophobicContact CD2-CE1 3.83Å; L71-Y75 HydrophobicContact CD2-CG 4.41Å; L71-Y75 HydrophobicContact CG-CD1 4.43Å; L71-P81 HydrophobicContact CD2-CB 3.88Å; L71-P81 HydrophobicContact CD2-CG 3.89Å; L71-L115 HydrophobicContact CD2-CD1 4.27Å
72P92.8Very high91Very high28 Ų2836.1 Ų36.118%0.18222%0.221CC..  trans-64.3161171.7-2436.1000112.4Q8 E70 D74 Y75 S79 P80 V82Q8-P72 PolarHBondContact NE2-O 3.3Å; E70-P72 WeakPolarHBondContact O-CD 3.39Å; P72-D74 VanDerWaalsContact CB-OD1 3.25Å; P72-D74 WeakPolarHBondContact CB-OD1 3.41Å; P72-D74 PolarHBondContact O-N 2.92Å; P72-D74 VanDerWaalsContact O-N 3.13Å; P72-Y75 PolarHBondContact O-N 2.94Å; P72-S79 VanDerWaalsContact CB-OG 3.23Å; P72-S79 WeakPolarHBondContact CB-OG 3.34Å; P72-S79 WeakPolarHBondContact CG-OG 3.32Å; P72-P80 WeakPolarHBondContact CD-O 3.43Å; P72-P80 WeakPolarHBondContact CG-O 3.38Å; P72-V82 HydrophobicContact CG-CG2 4.13Å
73A90.6Very high91.6Very high83 Ų8336.3 Ų36.369%0.68622%0.222SC*.THydrogen-bonded Turntrans-65.1-18-178.400000114.6
74D91.1Very high92.1Very high63 Ų6337.6 Ų37.634%0.33723%0.231SC..THydrogen-bonded Turntrans-1099.9-177.562.5-34.9000113.6P72 S77 T78 S79P72-D74 VanDerWaalsContact CB-OD1 3.25Å; P72-D74 WeakPolarHBondContact CB-OD1 3.41Å; P72-D74 PolarHBondContact O-N 2.92Å; P72-D74 VanDerWaalsContact O-N 3.13Å; D74-S77 PolarHBondContact O-N 3.2Å; D74-T78 PolarHBondContact O-N 3.03Å; D74-S79 PolarHBondContact OD1-OG 3.3Å; D74-S79 WeakPolarHBondContact OD2-CB 3.38Å; D74-S79 PolarHBondContact OD2-OG 3.15Å
75Y91.4Very high92.4Very high0 Ų036.4 Ų36.40%022%0.223CC..THydrogen-bonded Turntrans-83.9140.2168.3169.1-88.8000110.2D4 Q8 E11 L71 P72 S79 P81 W106 E113 V114D4-Y75 VanDerWaalsContact CB-O 3.23Å; D4-Y75 WeakPolarHBondContact CB-O 3.3Å; Q8-Y75 HydrophobicContact CG-CD1 3.7Å; Q8-Y75 HydrophobicContact CG-CE1 4.28Å; Q8-Y75 PolarHBondContact NE2-O 3.01Å; E11-Y75 VanDerWaalsContact CD-OH 3.3Å; E11-Y75 PolarHBondContact OE1-OH 3.22Å; E11-Y75 WeakPolarHBondContact OE2-CE1 3.46Å; E11-Y75 PolarHBondContact OE2-OH 3.4Å; L71-Y75 HydrophobicContact CB-CD1 4.33Å; L71-Y75 HydrophobicContact CD1-CD1 4.39Å; L71-Y75 HydrophobicContact CD1-CE1 4.29Å; L71-Y75 HydrophobicContact CD2-CD1 3.9Å; L71-Y75 HydrophobicContact CD2-CE1 3.83Å; L71-Y75 HydrophobicContact CD2-CG 4.41Å; L71-Y75 HydrophobicContact CG-CD1 4.43Å; P72-Y75 PolarHBondContact O-N 2.94Å; Y75-S79 WeakPolarHBondContact CB-O 3.3Å; Y75-S79 VanDerWaalsContact CD2-O 3.32Å; Y75-S79 WeakPolarHBondContact CD2-O 3.49Å; Y75-P81 HydrophobicContact CD2-CG 3.92Å; Y75-P81 HydrophobicContact CE2-CG 3.56Å; Y75-W106 HydrophobicContact CD2-CH2 4.07Å; Y75-W106 AromaticContact CD2-CZ3 3.85Å; Y75-W106 HydrophobicContact CD2-CZ3 3.85Å; Y75-W106 HydrophobicContact CE2-CE3 4.35Å; Y75-W106 HydrophobicContact CE2-CH2 4.37Å; Y75-W106 AromaticContact CE2-CZ3 3.7Å; Y75-W106 HydrophobicContact CE2-CZ3 3.7Å; Y75-E113 WeakPolarHBondContact OH-CA 3.45Å; Y75-V114 HydrophobicContact CE2-CG2 4.07Å; Y75-V114 PolarHBondContact OH-N 2.87Å
76P90.3Very high92.4Very high6 Ų636.7 Ų36.74%0.03923%0.225CC..THydrogen-bonded Turncis-92.24.84.835.9-36000115D4 A7 W106 G111 F112 E113D4-P76 WeakPolarHBondContact OD1-CD 3.13Å; A7-P76 HydrophobicContact CB-CG 4.05Å; P76-W106 HydrophobicContact CB-CZ3 4.48Å; P76-W106 WeakPolarHBondContact O-CH2 3.31Å; P76-G111 CarbonylContact O-C 3.52Å; P76-G111 WeakPolarHBondContact O-CA 3.14Å; P76-G111 PolarHBondContact O-N 2.9Å; P76-G111 VanDerWaalsContact O-N 3.13Å; P76-F112 VanDerWaalsContact CB-C 3.5Å; P76-F112 VanDerWaalsContact CB-O 3.3Å; P76-F112 WeakPolarHBondContact CB-O 3.4Å; P76-E113 HydrophobicContact CG-CG 4.41Å
77S89.9Confident92.2Very high67 Ų6735.9 Ų35.947%0.46922%0.22SC..THydrogen-bonded Turntrans-68.6-37.3-173.5-66.70000114.8D4 D74D4-S77 WeakPolarHBondContact OD1-CB 3.21Å; D4-S77 PolarHBondContact OD1-N 2.96Å; D4-S77 VanDerWaalsContact OD1-N 3.08Å; D4-S77 PolarHBondContact OD1-OG 2.73Å; D74-S77 PolarHBondContact O-N 3.2Å
78T89.1Confident91.7Very high101 Ų10139.9 Ų39.962%0.6224%0.238SC*.THydrogen-bonded Turntrans-129.3-45.3-166.6-47.10000114D74D74-T78 PolarHBondContact O-N 3.03Å
79S91.8Very high91.2Very high23 Ų2338 Ų3816%0.16123%0.226CC..  trans-118.2148-172.971.30000111.8P72 D74 Y75 W106P72-S79 VanDerWaalsContact CB-OG 3.23Å; P72-S79 WeakPolarHBondContact CB-OG 3.34Å; P72-S79 WeakPolarHBondContact CG-OG 3.32Å; D74-S79 PolarHBondContact OD1-OG 3.3Å; D74-S79 WeakPolarHBondContact OD2-CB 3.38Å; D74-S79 PolarHBondContact OD2-OG 3.15Å; Y75-S79 WeakPolarHBondContact CB-O 3.3Å; Y75-S79 VanDerWaalsContact CD2-O 3.32Å; Y75-S79 WeakPolarHBondContact CD2-O 3.49Å; S79-W106 VanDerWaalsContact C-CZ2 3.4Å; S79-W106 WeakPolarHBondContact O-CH2 3.29Å; S79-W106 WeakPolarHBondContact O-CZ2 3.36Å
80P93.3Very high90.7Very high46 Ų4638 Ų3830%0.29923%0.227SC..PPolyproline II helixtrans-75.1164.2175.828.2-32.8000112.2P72 V82 W106P72-P80 WeakPolarHBondContact CD-O 3.43Å; P72-P80 WeakPolarHBondContact CG-O 3.38Å; P80-V82 PolarHBondContact O-N 3.16Å; P80-W106 HydrophobicContact CB-CB 4.44Å; P80-W106 HydrophobicContact CB-CD2 3.7Å; P80-W106 HydrophobicContact CB-CE3 4.42Å; P80-W106 HydrophobicContact CB-CG 3.67Å; P80-W106 HydrophobicContact CB-CZ2 4.33Å
81P93.8Very high90.3Very high3 Ų335.8 Ų35.82%0.01922%0.222CC..PPolyproline II helixtrans-55136.4165.3-23.435.6000111.3L71 Y75 F83 V114 L115 W118L71-P81 HydrophobicContact CD2-CB 3.88Å; L71-P81 HydrophobicContact CD2-CG 3.89Å; Y75-P81 HydrophobicContact CD2-CG 3.92Å; Y75-P81 HydrophobicContact CE2-CG 3.56Å; P81-F83 WeakPolarHBondContact O-CD1 3.46Å; P81-V114 HydrophobicContact CG-CG2 4.12Å; P81-L115 HydrophobicContact CB-CD2 4.38Å; P81-L115 HydrophobicContact CG-CD2 4.11Å; P81-W118 HydrophobicContact CB-CH2 4.01Å; P81-W118 HydrophobicContact CB-CZ3 3.98Å; P81-W118 HydrophobicContact CG-CH2 4.03Å; P81-W118 HydrophobicContact CG-CZ3 4.18Å
82V93.7Very high89.9Confident91 Ų9139.1 Ų39.155%0.55224%0.235SC*.EExtended strand (participates in β ladder)trans-79120.6168.4177.70000107.2F69 E70 P72 P80F69-V82 CarbonylContact C-O 3.59Å; F69-V82 WeakPolarHBondContact CA-O 3.47Å; E70-V82 HydrophobicContact CB-CB 4.48Å; E70-V82 PolarHBondContact N-O 3.26Å; E70-V82 PolarHBondContact O-N 2.96Å; P72-V82 HydrophobicContact CG-CG2 4.13Å; P80-V82 PolarHBondContact O-N 3.16Å
83F94.9Very high89.5Confident11 Ų1141 Ų415%0.04825%0.253CS..EExtended strand (participates in β ladder)trans-137.9163-173.273.8-87.3000114.7L67 N68 F69 P81 L85 C99 L102 W118 R194L67-F83 HydrophobicContact CD1-CB 3.85Å; L67-F83 HydrophobicContact CD1-CD2 3.89Å; L67-F83 HydrophobicContact CD1-CG 4.19Å; N68-F83 CarbonylContact O-C 3.48Å; N68-F83 WeakPolarHBondContact O-CA 3.37Å; N68-F83 WeakPolarHBondContact O-CB 3.16Å; F69-F83 HydrophobicContact CB-CB 4.13Å; P81-F83 WeakPolarHBondContact O-CD1 3.46Å; F83-L85 HydrophobicContact CD2-CG 4.34Å; F83-L85 HydrophobicContact CE2-CG 4.32Å; F83-C99 HydrophobicContact CE2-CB 4.05Å; F83-C99 HydrophobicContact CZ-CB 4.14Å; F83-L102 HydrophobicContact CD2-CD1 4.1Å; F83-L102 HydrophobicContact CE1-CB 4.41Å; F83-L102 HydrophobicContact CE2-CB 4.34Å; F83-L102 HydrophobicContact CE2-CD1 3.69Å; F83-L102 HydrophobicContact CZ-CB 3.88Å; F83-L102 HydrophobicContact CZ-CD1 4.08Å; F83-W118 HydrophobicContact CB-CZ3 4.07Å; F83-W118 AromaticContact CD1-CH2 3.39Å; F83-W118 HydrophobicContact CD1-CH2 3.39Å; F83-W118 HydrophobicContact CD1-CZ2 4.49Å; F83-W118 AromaticContact CD1-CZ3 3.56Å; F83-W118 HydrophobicContact CD1-CZ3 3.56Å; F83-W118 AromaticContact CE1-CH2 3.61Å; F83-W118 HydrophobicContact CE1-CH2 3.61Å; F83-W118 HydrophobicContact CE1-CZ2 4.33Å; F83-W118 HydrophobicContact CE1-CZ3 4.1Å; F83-W118 HydrophobicContact CG-CH2 4.13Å; F83-W118 AromaticContact CG-CZ3 3.82Å; F83-W118 HydrophobicContact CG-CZ3 3.82Å; F83-R194 VanDerWaalsContact CE1-NH1 3.26Å; F83-R194 WeakPolarHBondContact O-CB 3.3Å; F83-R194 WeakPolarHBondContact O-CD 3.26Å; F83-R194 VanDerWaalsContact O-CG 3.28Å; F83-R194 WeakPolarHBondContact O-CG 3.28Å
84S93.7Very high89.4Confident33 Ų3339.2 Ų39.223%0.23123%0.231CC..EExtended strand (participates in β ladder)trans-138.3142.7166.962.30000111N68 R194N68-S84 PolarHBondContact N-O 3.38Å; N68-S84 PolarHBondContact O-N 2.91Å; S84-R194 WeakPolarHBondContact CA-O 3.4Å; S84-R194 WeakPolarHBondContact CB-O 3.35Å
85L93.5Very high89.4Confident0 Ų036.2 Ų36.20%022%0.215CC..EExtended strand (participates in β ladder)trans-109.8135.1176.6-74.8178.1000109.9L65 L67 F83 L95 L98 L102 L122 R194 V196L65-L85 HydrophobicContact CD1-CD2 4.47Å; L65-L85 HydrophobicContact CD2-CD2 4.43Å; L65-L85 HydrophobicContact CG-CD2 4.45Å; L67-L85 HydrophobicContact CB-CD2 3.88Å; L67-L85 HydrophobicContact CD1-CD2 3.65Å; L67-L85 HydrophobicContact CD1-CG 4.32Å; L67-L85 HydrophobicContact CG-CD2 4.32Å; F83-L85 HydrophobicContact CD2-CG 4.34Å; F83-L85 HydrophobicContact CE2-CG 4.32Å; L85-L95 HydrophobicContact CB-CD2 4.16Å; L85-L98 HydrophobicContact CD1-CB 3.6Å; L85-L98 HydrophobicContact CD1-CD1 4.41Å; L85-L102 HydrophobicContact CD1-CD1 3.9Å; L85-L102 HydrophobicContact CD2-CD1 4.35Å; L85-L102 HydrophobicContact CG-CD1 4.28Å; L85-L122 HydrophobicContact CD2-CD1 4.04Å; L85-R194 PolarHBondContact N-O 2.91Å; L85-V196 PolarHBondContact O-N 3.25Å
86S89.3Confident89.3Confident6 Ų637.3 Ų37.34%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-139.5137.9179.578.70000114.1L65 V66 V196L65-S86 WeakPolarHBondContact CD1-O 3.14Å; V66-S86 WeakPolarHBondContact CB-OG 3.37Å; V66-S86 PolarHBondContact N-O 2.68Å; V66-S86 PolarHBondContact O-N 3Å; S86-V196 WeakPolarHBondContact CA-O 3.48Å; S86-V196 WeakPolarHBondContact CB-O 3.24Å
87S87.8Confident89.3Confident0 Ų039.5 Ų39.50%024%0.238CC..EExtended strand (participates in β ladder)trans-147153.3-177.7174.10000110.9W89 M90 L198S87-W89 PolarHBondContact OG-N 3.2Å; S87-W89 PolarHBondContact OG-NE1 3.3Å; S87-M90 WeakPolarHBondContact OG-CG 3.42Å; S87-M90 PolarHBondContact OG-N 3.11Å; S87-L198 PolarHBondContact O-N 3.2Å
88K83.6Confident89.4Confident84 Ų8436.3 Ų36.337%0.36522%0.216SC..SBendtrans-92.6-15.1176.2-64-175.2-179.7-178.10113.8P63 L198 M199P63-K88 HydrophobicContact CB-CB 4.46Å; P63-K88 HydrophobicContact CB-CD 4.24Å; K88-L198 HydrophobicContact CG-CB 4.21Å; K88-L198 HydrophobicContact CG-CD1 4.39Å; K88-M199 HydrophobicContact CB-CG 4.46Å; K88-M199 WeakPolarHBondContact O-CG 3.28Å
89W83.8Confident89.6Confident12 Ų1231.5 Ų31.55%0.04519%0.186CC..SBendtrans-124.7-2.6-171.553.8-89.2000113.6L39 L62 P63 S87 L127 I132 L136 L209L39-W89 HydrophobicContact CD1-CH2 3.19Å; L39-W89 HydrophobicContact CD1-CZ2 3.21Å; L39-W89 HydrophobicContact CD1-CZ3 4.46Å; L39-W89 HydrophobicContact CG-CZ2 4.25Å; L62-W89 HydrophobicContact CD1-CD2 3.8Å; L62-W89 HydrophobicContact CD1-CE3 3.81Å; L62-W89 HydrophobicContact CD1-CG 4.4Å; L62-W89 HydrophobicContact CD1-CH2 4.23Å; L62-W89 HydrophobicContact CD1-CZ2 4.22Å; L62-W89 HydrophobicContact CD1-CZ3 4Å; P63-W89 PolarHBondContact O-NE1 2.77Å; S87-W89 PolarHBondContact OG-N 3.2Å; S87-W89 PolarHBondContact OG-NE1 3.3Å; W89-L127 HydrophobicContact CH2-CD2 4.36Å; W89-I132 HydrophobicContact CH2-CD1 4.5Å; W89-I132 HydrophobicContact CZ3-CD1 3.91Å; W89-L136 HydrophobicContact CE3-CD2 3.84Å; W89-L136 HydrophobicContact CZ3-CD2 4.49Å; W89-L209 HydrophobicContact CB-CD1 4.2Å; W89-L209 HydrophobicContact CB-CD2 3.76Å; W89-L209 HydrophobicContact CG-CD2 4.36Å
90M83.3Confident89.6Confident7 Ų735.9 Ų35.93%0.03420%0.204CC..SBendtrans-104.9149178.3-60.1176.169.300112.1L65 S87 Q94 L95 L98 T126 L130L65-M90 HydrophobicContact CD1-SD 4.18Å; S87-M90 WeakPolarHBondContact OG-CG 3.42Å; S87-M90 PolarHBondContact OG-N 3.11Å; M90-Q94 HydrophobicContact CE-CB 3.91Å; M90-L95 HydrophobicContact CB-CD2 4.34Å; M90-L95 HydrophobicContact CB-CG 4.17Å; M90-L95 HydrophobicContact CE-CD2 4.29Å; M90-L95 HydrophobicContact SD-CD2 4.1Å; M90-L98 HydrophobicContact CE-CD1 3.6Å; M90-L98 HydrophobicContact CE-CG 4.41Å; M90-L98 HydrophobicContact SD-CD1 4.39Å; M90-T126 HydrophobicContact CE-CG2 4.48Å; M90-L130 HydrophobicContact CE-CD1 3.09Å
91T85.2Confident89.7Confident73 Ų7336 Ų3645%0.44820%0.199SC..  trans-77.2156.5173.865.40000111.6A93 Q94 L95T91-A93 PolarHBondContact O-N 2.92Å; T91-Q94 PolarHBondContact O-N 2.61Å; T91-Q94 VanDerWaalsContact O-N 3.14Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.5Å; T91-Q94 PolarHBondContact OG1-N 3.22Å; T91-Q94 PolarHBondContact OG1-OE1 3.35Å; T91-L95 PolarHBondContact O-N 3.42Å
92K85.3Confident89.6Confident84 Ų8435.9 Ų35.937%0.36520%0.198SC..Hα-helixtrans-58.3-32.5175.2-164.3173.8-171.8-170.60112.7S96 S191 D192 A195 V197K92-S96 WeakPolarHBondContact O-CB 3.42Å; K92-S96 PolarHBondContact O-N 3.28Å; K92-S96 PolarHBondContact O-OG 3.29Å; K92-S191 VanDerWaalsContact CE-CB 3.46Å; K92-S191 WeakPolarHBondContact CE-OG 3.13Å; K92-S191 PolarHBondContact NZ-OG 2.9Å; K92-D192 WeakPolarHBondContact CE-O 3.33Å; K92-A195 VanDerWaalsContact CE-O 3.24Å; K92-A195 WeakPolarHBondContact CE-O 3.46Å; K92-A195 HydrophobicContact CG-CB 3.98Å; K92-V197 HydrophobicContact CB-CG2 3.9Å; K92-V197 HydrophobicContact CG-CG2 4.49Å
93A84.8Confident89.6Confident68 Ų6833.7 Ų33.756%0.56218%0.183SC*.Hα-helixtrans-66.4-45.7176.500000111.6T91 S96 S97T91-A93 PolarHBondContact O-N 2.92Å; A93-S96 WeakPolarHBondContact O-CB 3.4Å; A93-S96 PolarHBondContact O-N 2.92Å; A93-S97 PolarHBondContact O-N 3.43Å; A93-S97 PolarHBondContact O-OG 3.37Å
94Q88.9Confident89.5Confident45 Ų4536.8 Ų36.821%0.2120%0.198CC..Hα-helixtrans-62.4-44.6176-73.9165.1-48.100112M90 T91 S96 S97 L98 L130M90-Q94 HydrophobicContact CE-CB 3.91Å; T91-Q94 PolarHBondContact O-N 2.61Å; T91-Q94 VanDerWaalsContact O-N 3.14Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.5Å; T91-Q94 PolarHBondContact OG1-N 3.22Å; T91-Q94 PolarHBondContact OG1-OE1 3.35Å; Q94-S96 VanDerWaalsContact C-N 3.3Å; Q94-S96 PolarHBondContact O-N 3.22Å; Q94-S97 WeakPolarHBondContact O-CB 3.49Å; Q94-S97 PolarHBondContact O-N 3.32Å; Q94-L98 PolarHBondContact O-N 3.35Å; Q94-L130 HydrophobicContact CB-CD1 4.11Å; Q94-L130 HydrophobicContact CB-CD2 4.29Å; Q94-L130 HydrophobicContact CG-CD2 4.5Å
95L89.3Confident89.5Confident0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-61.5-39.1174.2-70.8173000111.7L65 L85 M90 T91 S97 L98 C99 A195 V197L65-L95 HydrophobicContact CD1-CD2 3.73Å; L85-L95 HydrophobicContact CB-CD2 4.16Å; M90-L95 HydrophobicContact CB-CD2 4.34Å; M90-L95 HydrophobicContact CB-CG 4.17Å; M90-L95 HydrophobicContact CE-CD2 4.29Å; M90-L95 HydrophobicContact SD-CD2 4.1Å; T91-L95 PolarHBondContact O-N 3.42Å; L95-S97 VanDerWaalsContact C-N 3.33Å; L95-S97 PolarHBondContact O-N 2.82Å; L95-L98 PolarHBondContact O-N 3.23Å; L95-C99 PolarHBondContact O-N 2.71Å; L95-C99 PolarHBondContact O-SG 2.94Å; L95-A195 HydrophobicContact CB-CB 3.59Å; L95-V197 HydrophobicContact CD1-CG2 4.08Å
96S89.9Confident89.5Confident23 Ų2336 Ų3616%0.16119%0.191CC..Hα-helixtrans-63.5-39.3176-55.20000111.6K92 A93 Q94 L98 C99 Q100 D192K92-S96 WeakPolarHBondContact O-CB 3.42Å; K92-S96 PolarHBondContact O-N 3.28Å; K92-S96 PolarHBondContact O-OG 3.29Å; A93-S96 WeakPolarHBondContact O-CB 3.4Å; A93-S96 PolarHBondContact O-N 2.92Å; Q94-S96 VanDerWaalsContact C-N 3.3Å; Q94-S96 PolarHBondContact O-N 3.22Å; S96-L98 VanDerWaalsContact C-N 3.35Å; S96-C99 PolarHBondContact O-N 2.81Å; S96-Q100 PolarHBondContact O-N 2.98Å; S96-D192 PolarHBondContact OG-N 3.45Å
97S90.6Very high89.6Confident52 Ų5241.4 Ų41.436%0.36422%0.215SC..Hα-helixtrans-65-37.3174.6-62.80000112.5A93 Q94 L95 R101A93-S97 PolarHBondContact O-N 3.43Å; A93-S97 PolarHBondContact O-OG 3.37Å; Q94-S97 WeakPolarHBondContact O-CB 3.49Å; Q94-S97 PolarHBondContact O-N 3.32Å; L95-S97 VanDerWaalsContact C-N 3.33Å; L95-S97 PolarHBondContact O-N 2.82Å; S97-R101 PolarHBondContact O-N 3.46Å
98L92.6Very high89.9Confident0 Ų047.2 Ų47.20%024%0.242CC..Hα-helixtrans-65.7-45.1172.6-69.3-178.8000111.6L65 L85 M90 Q94 L95 S96 Q100 R101 L102 F121 L122 T126 F129 L130L65-L98 HydrophobicContact CD2-CD1 4.09Å; L85-L98 HydrophobicContact CD1-CB 3.6Å; L85-L98 HydrophobicContact CD1-CD1 4.41Å; M90-L98 HydrophobicContact CE-CD1 3.6Å; M90-L98 HydrophobicContact CE-CG 4.41Å; M90-L98 HydrophobicContact SD-CD1 4.39Å; Q94-L98 PolarHBondContact O-N 3.35Å; L95-L98 PolarHBondContact O-N 3.23Å; S96-L98 VanDerWaalsContact C-N 3.35Å; L98-Q100 VanDerWaalsContact C-N 3.28Å; L98-Q100 PolarHBondContact O-N 2.79Å; L98-R101 PolarHBondContact O-N 2.89Å; L98-L102 WeakPolarHBondContact O-CG 3.29Å; L98-L102 PolarHBondContact O-N 3.25Å; L98-F121 HydrophobicContact CD2-CE1 3.97Å; L98-F121 HydrophobicContact CD2-CZ 4.14Å; L98-L122 HydrophobicContact CD1-CD2 4.16Å; L98-L122 HydrophobicContact CD2-CD2 4.34Å; L98-T126 HydrophobicContact CD1-CG2 4.06Å; L98-T126 HydrophobicContact CD2-CG2 4.24Å; L98-F129 HydrophobicContact CD2-CD1 3.78Å; L98-F129 HydrophobicContact CD2-CE1 4.14Å; L98-L130 HydrophobicContact CD1-CD1 4.1Å; L98-L130 HydrophobicContact CD2-CD1 4.06Å; L98-L130 HydrophobicContact CD2-CD2 4.22Å; L98-L130 HydrophobicContact CD2-CG 4.09Å; L98-L130 HydrophobicContact CG-CD1 4Å; L98-L130 HydrophobicContact CG-CD2 4.29Å; L98-L130 HydrophobicContact CG-CG 4.4Å
99C92.4Very high90.2Very high0 Ų045.4 Ų45.40%024%0.237CC..Hα-helixtrans-55.4-45.8175.8-65.60000111.5F83 L95 S96 R101 L102 D103 D192F83-C99 HydrophobicContact CE2-CB 4.05Å; F83-C99 HydrophobicContact CZ-CB 4.14Å; L95-C99 PolarHBondContact O-N 2.71Å; L95-C99 PolarHBondContact O-SG 2.94Å; S96-C99 PolarHBondContact O-N 2.81Å; C99-R101 VanDerWaalsContact C-N 3.31Å; C99-R101 PolarHBondContact O-N 3.25Å; C99-L102 PolarHBondContact O-N 3.41Å; C99-D103 PolarHBondContact O-N 3.39Å; C99-D192 WeakPolarHBondContact CB-OD2 3.35Å
100Q92.5Very high90.4Very high115 Ų11549.7 Ų49.754%0.53726%0.257SS..Hα-helixtrans-60.5-41.3176.5-175.7-178.2-10.800111.7S96 L98 D103 E104S96-Q100 PolarHBondContact O-N 2.98Å; L98-Q100 VanDerWaalsContact C-N 3.28Å; L98-Q100 PolarHBondContact O-N 2.79Å; Q100-D103 WeakPolarHBondContact O-CB 3.47Å; Q100-D103 PolarHBondContact O-N 3.15Å; Q100-E104 PolarHBondContact NE2-OE1 2.88Å; Q100-E104 WeakPolarHBondContact O-CG 3.21Å; Q100-E104 PolarHBondContact O-N 3.16Å
101R94.1Very high90.6Very high49 Ų4951.1 Ų51.119%0.18527%0.274CS..Hα-helixtrans-67.8-35.7178.2-173.956.1-174.2147.510.6112.6S97 L98 C99 D103 E104 L105 E108 F121 F129S97-R101 PolarHBondContact O-N 3.46Å; L98-R101 PolarHBondContact O-N 2.89Å; C99-R101 VanDerWaalsContact C-N 3.31Å; C99-R101 PolarHBondContact O-N 3.25Å; R101-D103 VanDerWaalsContact C-N 3.33Å; R101-E104 WeakPolarHBondContact CD-OE2 3.1Å; R101-E104 IonicContact CZ-OE2 2.88Å; R101-E104 IonicContact NH1-OE2 2.91Å; R101-E104 PolarHBondContact NH1-OE2 3.13Å; R101-E104 PolarHBondContact O-N 3.39Å; R101-L105 WeakPolarHBondContact O-CG 3.49Å; R101-L105 PolarHBondContact O-N 3.4Å; R101-E108 IonicContact CZ-OE1 2.68Å; R101-E108 IonicContact NH1-OE1 2.97Å; R101-E108 PolarHBondContact NH1-OE1 2.91Å; R101-E108 IonicContact NH2-OE1 3.98Å; R101-E108 IonicContact NH2-OE2 3.75Å; R101-F121 HydrophobicContact CB-CE1 4.21Å; R101-F121 HydrophobicContact CB-CZ 4.09Å; R101-F121 HydrophobicContact CG-CE1 3.79Å; R101-F121 HydrophobicContact CG-CE2 3.91Å; R101-F121 HydrophobicContact CG-CZ 3.42Å; R101-F121 VanDerWaalsContact CG-CZ 3.42Å; R101-F129 HydrophobicContact CB-CE1 3.97Å; R101-F129 HydrophobicContact CB-CE2 4.24Å; R101-F129 HydrophobicContact CB-CZ 3.66Å; R101-F129 HydrophobicContact CG-CE1 4.39Å; R101-F129 HydrophobicContact CG-CE2 3.98Å; R101-F129 HydrophobicContact CG-CZ 3.93Å
102L93.5Very high90.8Very high0 Ų054 Ų540%028%0.28CS..Hα-helixtrans-64.5-38.5173.6-65-174.1000111.8L67 F83 L85 L98 C99 L105 W106 W118 F121 L122L67-L102 HydrophobicContact CD1-CD1 4.48Å; F83-L102 HydrophobicContact CD2-CD1 4.1Å; F83-L102 HydrophobicContact CE1-CB 4.41Å; F83-L102 HydrophobicContact CE2-CB 4.34Å; F83-L102 HydrophobicContact CE2-CD1 3.69Å; F83-L102 HydrophobicContact CZ-CB 3.88Å; F83-L102 HydrophobicContact CZ-CD1 4.08Å; L85-L102 HydrophobicContact CD1-CD1 3.9Å; L85-L102 HydrophobicContact CD2-CD1 4.35Å; L85-L102 HydrophobicContact CG-CD1 4.28Å; L98-L102 WeakPolarHBondContact O-CG 3.29Å; L98-L102 PolarHBondContact O-N 3.25Å; C99-L102 PolarHBondContact O-N 3.41Å; L102-L105 HydrophobicContact CD2-CD1 4.31Å; L102-L105 PolarHBondContact O-N 3.36Å; L102-W106 PolarHBondContact O-N 2.92Å; L102-W118 HydrophobicContact CB-CD2 4.21Å; L102-W118 HydrophobicContact CB-CZ2 4.04Å; L102-W118 HydrophobicContact CD1-CD2 4.27Å; L102-W118 HydrophobicContact CD1-CE3 4.16Å; L102-W118 HydrophobicContact CD2-CB 3.95Å; L102-W118 HydrophobicContact CD2-CD2 4.01Å; L102-W118 HydrophobicContact CD2-CG 3.67Å; L102-W118 HydrophobicContact CG-CD2 4.38Å; L102-W118 WeakPolarHBondContact O-CZ2 3.27Å; L102-W118 PolarHBondContact O-NE1 3.01Å; L102-F121 HydrophobicContact CD2-CD1 3.91Å; L102-F121 HydrophobicContact CD2-CE1 4.34Å; L102-L122 HydrophobicContact CD1-CD1 4.24Å; L102-L122 HydrophobicContact CD2-CD1 4.36Å; L102-L122 HydrophobicContact CD2-CD2 4.25Å; L102-L122 HydrophobicContact CD2-CG 4.17Å
103D92.9Very high91.1Very high46 Ų4654.1 Ų54.125%0.24628%0.282CS..Hα-helixtrans-63.1-43.7173.4-64.4-32.3000111.3C99 Q100 R101 W106 E107 R194C99-D103 PolarHBondContact O-N 3.39Å; Q100-D103 WeakPolarHBondContact O-CB 3.47Å; Q100-D103 PolarHBondContact O-N 3.15Å; R101-D103 VanDerWaalsContact C-N 3.33Å; D103-W106 WeakPolarHBondContact O-CB 3.26Å; D103-W106 PolarHBondContact O-N 3.45Å; D103-E107 WeakPolarHBondContact O-CG 3.39Å; D103-E107 PolarHBondContact O-N 3.47Å; D103-R194 IonicContact OD1-CZ 3.29Å; D103-R194 IonicContact OD1-NH1 2.7Å; D103-R194 PolarHBondContact OD1-NH1 3.29Å; D103-R194 IonicContact OD1-NH2 4Å; D103-R194 IonicContact OD2-CZ 2.67Å; D103-R194 IonicContact OD2-NH1 3.42Å; D103-R194 PolarHBondContact OD2-NH1 3.27Å; D103-R194 IonicContact OD2-NH2 2.66Å; D103-R194 PolarHBondContact OD2-NH2 2.63Å
104E93.3Very high91.6Very high76 Ų7650.9 Ų50.936%0.35526%0.255SS..Hα-helixtrans-61.1-44.4175.9-71.2169.5-170.500111.9Q100 R101 W106 E107 E108Q100-E104 PolarHBondContact NE2-OE1 2.88Å; Q100-E104 WeakPolarHBondContact O-CG 3.21Å; Q100-E104 PolarHBondContact O-N 3.16Å; R101-E104 WeakPolarHBondContact CD-OE2 3.1Å; R101-E104 IonicContact CZ-OE2 2.88Å; R101-E104 IonicContact NH1-OE2 2.91Å; R101-E104 PolarHBondContact NH1-OE2 3.13Å; R101-E104 PolarHBondContact O-N 3.39Å; E104-W106 VanDerWaalsContact C-N 3.25Å; E104-W106 PolarHBondContact O-N 3.13Å; E104-E107 PolarHBondContact O-N 3.34Å; E104-E107 VanDerWaalsContact O-N 3.15Å; E104-E108 VanDerWaalsContact O-CG 3.29Å; E104-E108 WeakPolarHBondContact O-CG 3.33Å; E104-E108 PolarHBondContact O-N 2.98Å
105L92.9Very high91.8Very high13 Ų1348.7 Ų48.77%0.06825%0.245CC..Hα-helixtrans-61-35.7176-73.3173.5000112R101 L102 N109 M117 F121R101-L105 WeakPolarHBondContact O-CG 3.49Å; R101-L105 PolarHBondContact O-N 3.4Å; L102-L105 HydrophobicContact CD2-CD1 4.31Å; L102-L105 PolarHBondContact O-N 3.36Å; L105-N109 WeakPolarHBondContact O-CB 3.44Å; L105-N109 PolarHBondContact O-N 2.9Å; L105-N109 PolarHBondContact O-OD1 2.96Å; L105-M117 HydrophobicContact CD2-SD 4.15Å; L105-F121 HydrophobicContact CD1-CB 3.96Å; L105-F121 HydrophobicContact CD1-CD1 4Å; L105-F121 HydrophobicContact CD1-CD2 4.44Å; L105-F121 HydrophobicContact CD1-CG 3.85Å
106W92.8Very high91.9Very high4 Ų453.2 Ų53.22%0.01527%0.265CS..Hα-helixtrans-66-48.3171.6160.7-101.7000112.1Y75 P76 S79 P80 L102 D103 E104 E108 N109 Q110 V114 W118Y75-W106 HydrophobicContact CD2-CH2 4.07Å; Y75-W106 AromaticContact CD2-CZ3 3.85Å; Y75-W106 HydrophobicContact CD2-CZ3 3.85Å; Y75-W106 HydrophobicContact CE2-CE3 4.35Å; Y75-W106 HydrophobicContact CE2-CH2 4.37Å; Y75-W106 AromaticContact CE2-CZ3 3.7Å; Y75-W106 HydrophobicContact CE2-CZ3 3.7Å; P76-W106 HydrophobicContact CB-CZ3 4.48Å; P76-W106 WeakPolarHBondContact O-CH2 3.31Å; S79-W106 VanDerWaalsContact C-CZ2 3.4Å; S79-W106 WeakPolarHBondContact O-CH2 3.29Å; S79-W106 WeakPolarHBondContact O-CZ2 3.36Å; P80-W106 HydrophobicContact CB-CB 4.44Å; P80-W106 HydrophobicContact CB-CD2 3.7Å; P80-W106 HydrophobicContact CB-CE3 4.42Å; P80-W106 HydrophobicContact CB-CG 3.67Å; P80-W106 HydrophobicContact CB-CZ2 4.33Å; L102-W106 PolarHBondContact O-N 2.92Å; D103-W106 WeakPolarHBondContact O-CB 3.26Å; D103-W106 PolarHBondContact O-N 3.45Å; E104-W106 VanDerWaalsContact C-N 3.25Å; E104-W106 PolarHBondContact O-N 3.13Å; W106-E108 PolarHBondContact O-N 3.31Å; W106-N109 CarbonylContact O-C 3.52Å; W106-N109 VanDerWaalsContact O-C 3.27Å; W106-N109 WeakPolarHBondContact O-CA 3.29Å; W106-N109 PolarHBondContact O-N 3.25Å; W106-Q110 HydrophobicContact CZ2-CG 4.21Å; W106-Q110 PolarHBondContact O-N 2.94Å; W106-V114 HydrophobicContact CE3-CG1 3.81Å; W106-V114 HydrophobicContact CE3-CG2 3.97Å; W106-V114 HydrophobicContact CZ3-CG1 4.34Å; W106-W118 HydrophobicContact CB-CZ2 4.22Å
107E92.6Very high92Very high118 Ų11855.2 Ų55.255%0.55127%0.273SS*.Hα-helixtrans-60.8-34.7-179.4-70-64.7125.600112.1D103 E104 N109 Q110D103-E107 WeakPolarHBondContact O-CG 3.39Å; D103-E107 PolarHBondContact O-N 3.47Å; E104-E107 PolarHBondContact O-N 3.34Å; E104-E107 VanDerWaalsContact O-N 3.15Å; E107-N109 PolarHBondContact O-N 2.9Å; E107-Q110 PolarHBondContact OE1-NE2 2.82Å; E107-Q110 PolarHBondContact OE2-NE2 3.38Å
108E92.7Very high92.2Very high123 Ų12352.8 Ų52.858%0.57526%0.255SS*.Hα-helixtrans-66.9-22.6173.8-70.9171-152.400112.7R101 E104 W106R101-E108 IonicContact CZ-OE1 2.68Å; R101-E108 IonicContact NH1-OE1 2.97Å; R101-E108 PolarHBondContact NH1-OE1 2.91Å; R101-E108 IonicContact NH2-OE1 3.98Å; R101-E108 IonicContact NH2-OE2 3.75Å; E104-E108 VanDerWaalsContact O-CG 3.29Å; E104-E108 WeakPolarHBondContact O-CG 3.33Å; E104-E108 PolarHBondContact O-N 2.98Å; W106-E108 PolarHBondContact O-N 3.31Å
109N91.1Very high92.1Very high46 Ų4652.8 Ų52.825%0.24626%0.255CS..THydrogen-bonded Turntrans-127.825.4-170.1-70.692.7000114.4L105 W106 E107 G111 F112 V114L105-N109 WeakPolarHBondContact O-CB 3.44Å; L105-N109 PolarHBondContact O-N 2.9Å; L105-N109 PolarHBondContact O-OD1 2.96Å; W106-N109 CarbonylContact O-C 3.52Å; W106-N109 VanDerWaalsContact O-C 3.27Å; W106-N109 WeakPolarHBondContact O-CA 3.29Å; W106-N109 PolarHBondContact O-N 3.25Å; E107-N109 PolarHBondContact O-N 2.9Å; N109-G111 PolarHBondContact O-N 2.84Å; N109-F112 PolarHBondContact O-N 2.84Å; N109-F112 VanDerWaalsContact O-N 3.16Å; N109-V114 HydrophobicContact CB-CG1 3.91Å
110Q87.9Confident92Very high102 Ų10256.6 Ų56.648%0.47727%0.273SS..THydrogen-bonded Turntrans-53.3134.6179.2-71.3-174.2-11.500112.2W106 E107W106-Q110 HydrophobicContact CZ2-CG 4.21Å; W106-Q110 PolarHBondContact O-N 2.94Å; E107-Q110 PolarHBondContact OE1-NE2 2.82Å; E107-Q110 PolarHBondContact OE2-NE2 3.38Å
111G86.6Confident92Very high37 Ų3751.5 Ų51.538%0.38125%0.249SC..THydrogen-bonded Turntrans91.6-1.1-177.200000114.8P76 N109P76-G111 CarbonylContact O-C 3.52Å; P76-G111 WeakPolarHBondContact O-CA 3.14Å; P76-G111 PolarHBondContact O-N 2.9Å; P76-G111 VanDerWaalsContact O-N 3.13Å; N109-G111 PolarHBondContact O-N 2.84Å
112F90.7Very high91.8Very high132 Ų13249.2 Ų49.258%0.57924%0.241SC*.SBendtrans-126.4159.8178.9-62.6-79.6000112.6P76 N109P76-F112 VanDerWaalsContact CB-C 3.5Å; P76-F112 VanDerWaalsContact CB-O 3.3Å; P76-F112 WeakPolarHBondContact CB-O 3.4Å; N109-F112 PolarHBondContact O-N 2.84Å; N109-F112 VanDerWaalsContact O-N 3.16Å
113E91.8Very high91.4Very high87 Ų8751.1 Ų51.141%0.40725%0.249SC..  trans-67.2128.1173.4-58.7100151.400111.6A7 E11 Y75 P76A7-E113 HydrophobicContact CB-CG 4.47Å; E11-E113 HydrophobicContact CB-CB 4.4Å; E11-E113 HydrophobicContact CB-CG 4.16Å; E11-E113 HydrophobicContact CG-CB 4.13Å; E11-E113 HydrophobicContact CG-CG 4.44Å; E11-E113 WeakPolarHBondContact OE1-CB 3.36Å; Y75-E113 WeakPolarHBondContact OH-CA 3.45Å; P76-E113 HydrophobicContact CG-CG 4.41Å
114V94.4Very high91Very high0 Ų054.7 Ų54.70%026%0.264CS..  trans-119.5-9.2-170.8-62.20000115.5E11 Y75 P81 W106 N109 F116 M117 W118E11-V114 PolarHBondContact OE1-N 2.8Å; Y75-V114 HydrophobicContact CE2-CG2 4.07Å; Y75-V114 PolarHBondContact OH-N 2.87Å; P81-V114 HydrophobicContact CG-CG2 4.12Å; W106-V114 HydrophobicContact CE3-CG1 3.81Å; W106-V114 HydrophobicContact CE3-CG2 3.97Å; W106-V114 HydrophobicContact CZ3-CG1 4.34Å; N109-V114 HydrophobicContact CB-CG1 3.91Å; V114-F116 PolarHBondContact O-N 3.31Å; V114-M117 WeakPolarHBondContact O-CB 3.43Å; V114-M117 PolarHBondContact O-N 3.15Å; V114-M117 VanDerWaalsContact O-N 3.13Å; V114-W118 HydrophobicContact CG2-CD2 4.39Å; V114-W118 HydrophobicContact CG2-CZ2 4.15Å; V114-W118 PolarHBondContact O-N 3.23Å
115L93.6Very high90.7Very high0 Ų055.5 Ų55.50%027%0.268CS..Hα-helixtrans-62.4-42.1-173.6-62.8176.1000111.9E11 L12 L15 F69 L71 P81 M117 W118 I119E11-L115 HydrophobicContact CG-CB 4.4Å; E11-L115 HydrophobicContact CG-CD1 4.11Å; E11-L115 HydrophobicContact CG-CG 4.5Å; E11-L115 WeakPolarHBondContact OE1-CA 3.19Å; E11-L115 WeakPolarHBondContact OE1-CB 3.4Å; E11-L115 VanDerWaalsContact OE1-CG 3.31Å; E11-L115 WeakPolarHBondContact OE1-CG 3.43Å; E11-L115 PolarHBondContact OE1-N 3.36Å; L12-L115 HydrophobicContact CD2-CD1 4.47Å; L15-L115 HydrophobicContact CD1-CB 3.87Å; L15-L115 HydrophobicContact CD1-CD1 3.73Å; L15-L115 HydrophobicContact CD1-CG 4.49Å; F69-L115 HydrophobicContact CD1-CD2 4.38Å; F69-L115 HydrophobicContact CD2-CD1 4.03Å; F69-L115 HydrophobicContact CD2-CD2 3.89Å; F69-L115 HydrophobicContact CE1-CD1 4.37Å; F69-L115 HydrophobicContact CE2-CD1 3.4Å; F69-L115 VanDerWaalsContact CE2-CD1 3.4Å; F69-L115 HydrophobicContact CE2-CD2 4.1Å; F69-L115 HydrophobicContact CE2-CG 4.42Å; F69-L115 HydrophobicContact CG-CD2 4.04Å; F69-L115 HydrophobicContact CZ-CD1 3.6Å; F69-L115 HydrophobicContact CZ-CD2 4.44Å; L71-L115 HydrophobicContact CD2-CD1 4.27Å; P81-L115 HydrophobicContact CB-CD2 4.38Å; P81-L115 HydrophobicContact CG-CD2 4.11Å; L115-M117 VanDerWaalsContact C-N 3.3Å; L115-M117 PolarHBondContact O-N 2.91Å; L115-W118 HydrophobicContact CD2-CE3 4.33Å; L115-W118 PolarHBondContact O-N 2.91Å; L115-I119 VanDerWaalsContact O-CG1 3.23Å; L115-I119 WeakPolarHBondContact O-CG1 3.31Å; L115-I119 PolarHBondContact O-N 2.83Å
116F91.8Very high90.4Very high94 Ų9454.9 Ų54.941%0.41227%0.265SS..Hα-helixtrans-60.6-41.6176.9-177.7-96.5000111.8L15 I18 Y19 V114 I119 Q120L15-F116 HydrophobicContact CD2-CD2 4.48Å; I18-F116 HydrophobicContact CD1-CD2 4.25Å; I18-F116 HydrophobicContact CD1-CE2 4.18Å; Y19-F116 HydrophobicContact CE2-CD2 4.45Å; Y19-F116 WeakPolarHBondContact OH-CE2 3.23Å; V114-F116 PolarHBondContact O-N 3.31Å; F116-I119 PolarHBondContact O-N 3.43Å; F116-Q120 PolarHBondContact O-N 2.9Å
117M92.1Very high90Very high66 Ų6655.7 Ų55.733%0.32527%0.269SS..Hα-helixtrans-64.8-42.5177.1-173-176.6-57.500111.6L105 V114 L115 Q120 F121L105-M117 HydrophobicContact CD2-SD 4.15Å; V114-M117 WeakPolarHBondContact O-CB 3.43Å; V114-M117 PolarHBondContact O-N 3.15Å; V114-M117 VanDerWaalsContact O-N 3.13Å; L115-M117 VanDerWaalsContact C-N 3.3Å; L115-M117 PolarHBondContact O-N 2.91Å; M117-Q120 PolarHBondContact O-N 3.26Å; M117-F121 WeakPolarHBondContact O-CB 3.46Å; M117-F121 PolarHBondContact O-N 3.17Å
118W94.3Very high89.7Confident0 Ų054 Ų540%027%0.271CS..Hα-helixtrans-60.3-44.7174.3-73.77.3000111.6L67 P81 F83 L102 W106 V114 L115 Q120 L122L67-W118 HydrophobicContact CD2-CE3 4.24Å; P81-W118 HydrophobicContact CB-CH2 4.01Å; P81-W118 HydrophobicContact CB-CZ3 3.98Å; P81-W118 HydrophobicContact CG-CH2 4.03Å; P81-W118 HydrophobicContact CG-CZ3 4.18Å; F83-W118 HydrophobicContact CB-CZ3 4.07Å; F83-W118 AromaticContact CD1-CH2 3.39Å; F83-W118 HydrophobicContact CD1-CH2 3.39Å; F83-W118 HydrophobicContact CD1-CZ2 4.49Å; F83-W118 AromaticContact CD1-CZ3 3.56Å; F83-W118 HydrophobicContact CD1-CZ3 3.56Å; F83-W118 AromaticContact CE1-CH2 3.61Å; F83-W118 HydrophobicContact CE1-CH2 3.61Å; F83-W118 HydrophobicContact CE1-CZ2 4.33Å; F83-W118 HydrophobicContact CE1-CZ3 4.1Å; F83-W118 HydrophobicContact CG-CH2 4.13Å; F83-W118 AromaticContact CG-CZ3 3.82Å; F83-W118 HydrophobicContact CG-CZ3 3.82Å; L102-W118 HydrophobicContact CB-CD2 4.21Å; L102-W118 HydrophobicContact CB-CZ2 4.04Å; L102-W118 HydrophobicContact CD1-CD2 4.27Å; L102-W118 HydrophobicContact CD1-CE3 4.16Å; L102-W118 HydrophobicContact CD2-CB 3.95Å; L102-W118 HydrophobicContact CD2-CD2 4.01Å; L102-W118 HydrophobicContact CD2-CG 3.67Å; L102-W118 HydrophobicContact CG-CD2 4.38Å; L102-W118 WeakPolarHBondContact O-CZ2 3.27Å; L102-W118 PolarHBondContact O-NE1 3.01Å; W106-W118 HydrophobicContact CB-CZ2 4.22Å; V114-W118 HydrophobicContact CG2-CD2 4.39Å; V114-W118 HydrophobicContact CG2-CZ2 4.15Å; V114-W118 PolarHBondContact O-N 3.23Å; L115-W118 HydrophobicContact CD2-CE3 4.33Å; L115-W118 PolarHBondContact O-N 2.91Å; W118-Q120 VanDerWaalsContact C-N 3.35Å; W118-Q120 PolarHBondContact O-N 2.97Å; W118-L122 VanDerWaalsContact O-CB 3.3Å; W118-L122 WeakPolarHBondContact O-CB 3.25Å; W118-L122 WeakPolarHBondContact O-CG 3.47Å; W118-L122 PolarHBondContact O-N 3.29Å
119I90.6Very high89.3Confident1 Ų152.1 Ų52.11%0.00526%0.261CS..Hα-helixtrans-59.5-47.2177.1-67.5166.7000110.8L15 Y19 I35 L37 L115 F116 L122 K123L15-I119 HydrophobicContact CD1-CD1 4.46Å; L15-I119 HydrophobicContact CD2-CD1 3.59Å; Y19-I119 HydrophobicContact CD2-CD1 4.44Å; Y19-I119 HydrophobicContact CE1-CG2 4.3Å; Y19-I119 HydrophobicContact CE2-CD1 3.83Å; Y19-I119 HydrophobicContact CE2-CG2 4.36Å; Y19-I119 WeakPolarHBondContact OH-CG2 3.47Å; I35-I119 HydrophobicContact CD1-CD1 3.73Å; I35-I119 HydrophobicContact CD1-CG1 3.83Å; I35-I119 HydrophobicContact CG1-CD1 4.36Å; I35-I119 HydrophobicContact CG2-CD1 4.3Å; I35-I119 HydrophobicContact CG2-CG1 4.15Å; L37-I119 HydrophobicContact CD2-CB 4.38Å; L37-I119 HydrophobicContact CD2-CG1 4.42Å; L37-I119 HydrophobicContact CD2-CG2 3.78Å; L115-I119 VanDerWaalsContact O-CG1 3.23Å; L115-I119 WeakPolarHBondContact O-CG1 3.31Å; L115-I119 PolarHBondContact O-N 2.83Å; F116-I119 PolarHBondContact O-N 3.43Å; I119-L122 PolarHBondContact O-N 2.55Å; I119-K123 HydrophobicContact CG2-CD 4.18Å; I119-K123 WeakPolarHBondContact O-CB 3.36Å; I119-K123 PolarHBondContact O-N 3.18Å
120Q89.1Confident89.1Confident80 Ų8051.2 Ų51.237%0.37426%0.256SS..Hα-helixtrans-62.7-50.4-178.6-171.5178.6-13.100111.4F116 M117 W118 L122 K123 E124F116-Q120 PolarHBondContact O-N 2.9Å; M117-Q120 PolarHBondContact O-N 3.26Å; W118-Q120 VanDerWaalsContact C-N 3.35Å; W118-Q120 PolarHBondContact O-N 2.97Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 2.8Å; Q120-K123 PolarHBondContact O-N 3.42Å; Q120-E124 HydrophobicContact CG-CG 4.45Å; Q120-E124 WeakPolarHBondContact CG-OE2 3.23Å; Q120-E124 PolarHBondContact NE2-OE2 3.31Å; Q120-E124 VanDerWaalsContact NE2-OE2 3.16Å; Q120-E124 WeakPolarHBondContact O-CB 3.13Å; Q120-E124 PolarHBondContact O-N 3.25Å
121F93Very high88.6Confident8 Ų850.7 Ų50.74%0.03526%0.263CS..Iπ-helixtrans-56.4-47.4175.6166.6-103000111.3L98 R101 L102 L105 M117 K123 E125 T126 F129L98-F121 HydrophobicContact CD2-CE1 3.97Å; L98-F121 HydrophobicContact CD2-CZ 4.14Å; R101-F121 HydrophobicContact CB-CE1 4.21Å; R101-F121 HydrophobicContact CB-CZ 4.09Å; R101-F121 HydrophobicContact CG-CE1 3.79Å; R101-F121 HydrophobicContact CG-CE2 3.91Å; R101-F121 HydrophobicContact CG-CZ 3.42Å; R101-F121 VanDerWaalsContact CG-CZ 3.42Å; L102-F121 HydrophobicContact CD2-CD1 3.91Å; L102-F121 HydrophobicContact CD2-CE1 4.34Å; L105-F121 HydrophobicContact CD1-CB 3.96Å; L105-F121 HydrophobicContact CD1-CD1 4Å; L105-F121 HydrophobicContact CD1-CD2 4.44Å; L105-F121 HydrophobicContact CD1-CG 3.85Å; M117-F121 WeakPolarHBondContact O-CB 3.46Å; M117-F121 PolarHBondContact O-N 3.17Å; F121-K123 VanDerWaalsContact C-N 3.34Å; F121-K123 PolarHBondContact O-N 3.31Å; F121-E125 HydrophobicContact CD2-CB 3.63Å; F121-E125 HydrophobicContact CD2-CG 4.36Å; F121-E125 HydrophobicContact CE2-CB 3.85Å; F121-E125 WeakPolarHBondContact O-CA 3.29Å; F121-E125 WeakPolarHBondContact O-CB 3.2Å; F121-E125 PolarHBondContact O-N 2.95Å; F121-T126 PolarHBondContact O-N 3.24Å; F121-F129 HydrophobicContact CE2-CB 4.16Å; F121-F129 HydrophobicContact CE2-CD2 4.42Å; F121-F129 HydrophobicContact CE2-CG 4.18Å; F121-F129 HydrophobicContact CZ-CB 4.14Å; F121-F129 AromaticContact CZ-CD1 3.94Å; F121-F129 HydrophobicContact CZ-CD1 3.94Å; F121-F129 HydrophobicContact CZ-CD2 4.33Å; F121-F129 HydrophobicContact CZ-CE1 4.46Å; F121-F129 AromaticContact CZ-CG 3.87Å; F121-F129 HydrophobicContact CZ-CG 3.87Å
122L91.1Very high88.1Confident0 Ų049.8 Ų49.80%025%0.249CC..Iπ-helixtrans-66.7-35.6-177.4-69.2172.8000112.2L37 L39 L65 L67 L85 L98 L102 W118 I119 Q120 T126L37-L122 HydrophobicContact CD1-CB 3.65Å; L37-L122 HydrophobicContact CD1-CD1 3.48Å; L37-L122 VanDerWaalsContact CD1-CD1 3.48Å; L37-L122 HydrophobicContact CD1-CG 4.21Å; L39-L122 WeakPolarHBondContact CD2-O 3.49Å; L65-L122 HydrophobicContact CD2-CB 4.36Å; L65-L122 HydrophobicContact CD2-CD1 4.45Å; L65-L122 HydrophobicContact CD2-CD2 3.88Å; L65-L122 HydrophobicContact CD2-CG 4.46Å; L67-L122 HydrophobicContact CD2-CD1 4.07Å; L85-L122 HydrophobicContact CD2-CD1 4.04Å; L98-L122 HydrophobicContact CD1-CD2 4.16Å; L98-L122 HydrophobicContact CD2-CD2 4.34Å; L102-L122 HydrophobicContact CD1-CD1 4.24Å; L102-L122 HydrophobicContact CD2-CD1 4.36Å; L102-L122 HydrophobicContact CD2-CD2 4.25Å; L102-L122 HydrophobicContact CD2-CG 4.17Å; W118-L122 VanDerWaalsContact O-CB 3.3Å; W118-L122 WeakPolarHBondContact O-CB 3.25Å; W118-L122 WeakPolarHBondContact O-CG 3.47Å; W118-L122 PolarHBondContact O-N 3.29Å; I119-L122 PolarHBondContact O-N 2.55Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 2.8Å; L122-T126 VanDerWaalsContact C-OG1 3.3Å; L122-T126 VanDerWaalsContact CA-OG1 3.24Å; L122-T126 WeakPolarHBondContact CA-OG1 3.36Å; L122-T126 VanDerWaalsContact O-CB 3.24Å; L122-T126 WeakPolarHBondContact O-CB 3.38Å; L122-T126 PolarHBondContact O-OG1 2.61Å
123K83.9Confident87.3Confident41 Ų4150.6 Ų50.618%0.17826%0.255CS..Iπ-helixtrans-74-47177.4-86.5-178158.9-177.80113.1E23 L37 I119 Q120 F121E23-K123 IonicContact OE1-NZ 3.2Å; E23-K123 PolarHBondContact OE1-NZ 3.08Å; E23-K123 IonicContact OE2-NZ 2.68Å; L37-K123 HydrophobicContact CB-CG 4.35Å; L37-K123 HydrophobicContact CD2-CD 4.24Å; L37-K123 HydrophobicContact CD2-CG 3.88Å; I119-K123 HydrophobicContact CG2-CD 4.18Å; I119-K123 WeakPolarHBondContact O-CB 3.36Å; I119-K123 PolarHBondContact O-N 3.18Å; Q120-K123 PolarHBondContact O-N 3.42Å; F121-K123 VanDerWaalsContact C-N 3.34Å; F121-K123 PolarHBondContact O-N 3.31Å
124E84.7Confident86.3Confident121 Ų12149 Ų4957%0.56525%0.254SS*.Iπ-helixtrans-97.5-33.6-165.4-62.5176.9-177.500112.7Q120Q120-E124 HydrophobicContact CG-CG 4.45Å; Q120-E124 WeakPolarHBondContact CG-OE2 3.23Å; Q120-E124 PolarHBondContact NE2-OE2 3.31Å; Q120-E124 VanDerWaalsContact NE2-OE2 3.16Å; Q120-E124 WeakPolarHBondContact O-CB 3.13Å; Q120-E124 PolarHBondContact O-N 3.25Å
125E86.3Confident85.2Confident92 Ų9251.4 Ų51.443%0.4327%0.269SS..Iπ-helixtrans-109.4-18.2-168.1-65-176.7-139.200113.8F121 L127 S128 F129F121-E125 HydrophobicContact CD2-CB 3.63Å; F121-E125 HydrophobicContact CD2-CG 4.36Å; F121-E125 HydrophobicContact CE2-CB 3.85Å; F121-E125 WeakPolarHBondContact O-CA 3.29Å; F121-E125 WeakPolarHBondContact O-CB 3.2Å; F121-E125 PolarHBondContact O-N 2.95Å; E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 3.23Å; E125-S128 PolarHBondContact O-N 2.65Å; E125-S128 PolarHBondContact O-OG 2.77Å; E125-F129 WeakPolarHBondContact O-CB 3.5Å; E125-F129 PolarHBondContact O-N 3.19Å
126T87.3Confident84.6Confident0 Ų052 Ų520%027%0.272CS..Hα-helixtrans-48-48.7-176.4-72.30000113.8L39 M90 L98 F121 L122 S128 F129 L130L39-T126 HydrophobicContact CD1-CG2 4.12Å; L39-T126 HydrophobicContact CD2-CG2 4.34Å; M90-T126 HydrophobicContact CE-CG2 4.48Å; L98-T126 HydrophobicContact CD1-CG2 4.06Å; L98-T126 HydrophobicContact CD2-CG2 4.24Å; F121-T126 PolarHBondContact O-N 3.24Å; L122-T126 VanDerWaalsContact C-OG1 3.3Å; L122-T126 VanDerWaalsContact CA-OG1 3.24Å; L122-T126 WeakPolarHBondContact CA-OG1 3.36Å; L122-T126 VanDerWaalsContact O-CB 3.24Å; L122-T126 WeakPolarHBondContact O-CB 3.38Å; L122-T126 PolarHBondContact O-OG1 2.61Å; T126-S128 VanDerWaalsContact C-N 3.35Å; T126-S128 PolarHBondContact O-N 2.77Å; T126-F129 PolarHBondContact O-N 2.93Å; T126-L130 HydrophobicContact CG2-CD1 3.9Å; T126-L130 WeakPolarHBondContact O-CB 3.29Å; T126-L130 WeakPolarHBondContact O-CG 3.27Å; T126-L130 PolarHBondContact O-N 2.81Å
127L84.9Confident84Confident21 Ų2152.3 Ų52.311%0.1128%0.275CS..Hα-helixtrans-64.4-42.3-177.7-65.2179.8000111.5L39 E40 L41 W89 E125 S131 I132L39-L127 HydrophobicContact CD1-CD2 3.96Å; L39-L127 HydrophobicContact CD1-CG 4.31Å; E40-L127 VanDerWaalsContact O-CD1 3.26Å; E40-L127 WeakPolarHBondContact O-CD1 3.27Å; L41-L127 HydrophobicContact CD2-CD1 4.05Å; W89-L127 HydrophobicContact CH2-CD2 4.36Å; E125-L127 VanDerWaalsContact C-N 3.33Å; E125-L127 PolarHBondContact O-N 3.23Å; L127-S131 PolarHBondContact O-N 2.88Å; L127-I132 HydrophobicContact CD2-CB 4.14Å; L127-I132 HydrophobicContact CD2-CD1 4.43Å; L127-I132 HydrophobicContact CD2-CG2 4.1Å; L127-I132 PolarHBondContact O-N 3.4Å
128S85.1Confident83.3Confident84 Ų8449.7 Ų49.759%0.58726%0.262SS*.Hα-helixtrans-68.3-44.117974.90000111.7E125 T126 S131E125-S128 PolarHBondContact O-N 2.65Å; E125-S128 PolarHBondContact O-OG 2.77Å; T126-S128 VanDerWaalsContact C-N 3.35Å; T126-S128 PolarHBondContact O-N 2.77Å; S128-S131 PolarHBondContact O-N 2.8Å; S128-S131 VanDerWaalsContact O-N 3.12Å
129F86.2Confident82Confident83 Ų8356 Ų5636%0.36430%0.296SS..Hα-helixtrans-63.2-45.6-179.5176-103.7000111.6L98 R101 F121 E125 T126 S131L98-F129 HydrophobicContact CD2-CD1 3.78Å; L98-F129 HydrophobicContact CD2-CE1 4.14Å; R101-F129 HydrophobicContact CB-CE1 3.97Å; R101-F129 HydrophobicContact CB-CE2 4.24Å; R101-F129 HydrophobicContact CB-CZ 3.66Å; R101-F129 HydrophobicContact CG-CE1 4.39Å; R101-F129 HydrophobicContact CG-CE2 3.98Å; R101-F129 HydrophobicContact CG-CZ 3.93Å; F121-F129 HydrophobicContact CE2-CB 4.16Å; F121-F129 HydrophobicContact CE2-CD2 4.42Å; F121-F129 HydrophobicContact CE2-CG 4.18Å; F121-F129 HydrophobicContact CZ-CB 4.14Å; F121-F129 AromaticContact CZ-CD1 3.94Å; F121-F129 HydrophobicContact CZ-CD1 3.94Å; F121-F129 HydrophobicContact CZ-CD2 4.33Å; F121-F129 HydrophobicContact CZ-CE1 4.46Å; F121-F129 AromaticContact CZ-CG 3.87Å; F121-F129 HydrophobicContact CZ-CG 3.87Å; E125-F129 WeakPolarHBondContact O-CB 3.5Å; E125-F129 PolarHBondContact O-N 3.19Å; T126-F129 PolarHBondContact O-N 2.93Å; F129-S131 PolarHBondContact O-N 2.7Å
130L84.8Confident80.7Confident27 Ų2761.8 Ų61.814%0.14132%0.318CS..THydrogen-bonded Turntrans-80.80.9178.2-63.8177.1000113.5M90 Q94 L98 T126 I132M90-L130 HydrophobicContact CE-CD1 3.09Å; Q94-L130 HydrophobicContact CB-CD1 4.11Å; Q94-L130 HydrophobicContact CB-CD2 4.29Å; Q94-L130 HydrophobicContact CG-CD2 4.5Å; L98-L130 HydrophobicContact CD1-CD1 4.1Å; L98-L130 HydrophobicContact CD2-CD1 4.06Å; L98-L130 HydrophobicContact CD2-CD2 4.22Å; L98-L130 HydrophobicContact CD2-CG 4.09Å; L98-L130 HydrophobicContact CG-CD1 4Å; L98-L130 HydrophobicContact CG-CD2 4.29Å; L98-L130 HydrophobicContact CG-CG 4.4Å; T126-L130 HydrophobicContact CG2-CD1 3.9Å; T126-L130 WeakPolarHBondContact O-CB 3.29Å; T126-L130 WeakPolarHBondContact O-CG 3.27Å; T126-L130 PolarHBondContact O-N 2.81Å; L130-I132 HydrophobicContact CB-CD1 3.82Å; L130-I132 HydrophobicContact CB-CG1 3.72Å; L130-I132 HydrophobicContact CD1-CD1 3.86Å; L130-I132 PolarHBondContact O-N 2.91Å
131S77.8Confident78.7Confident90 Ų9061.7 Ų61.763%0.62933%0.326SS*.THydrogen-bonded Turntrans51.536.7-175-60.50000112.5L127 S128 F129 Q133L127-S131 PolarHBondContact O-N 2.88Å; S128-S131 PolarHBondContact O-N 2.8Å; S128-S131 VanDerWaalsContact O-N 3.12Å; F129-S131 PolarHBondContact O-N 2.7Å; S131-Q133 PolarHBondContact O-N 2.91Å
132I77.6Confident76.1Confident18 Ų1866.4 Ų66.49%0.09236%0.36CS..  trans-77.1106.2177.4-64.7175.3000107.5F45 W89 L127 L130 L136F45-I132 HydrophobicContact CZ-CG2 4.15Å; W89-I132 HydrophobicContact CH2-CD1 4.5Å; W89-I132 HydrophobicContact CZ3-CD1 3.91Å; L127-I132 HydrophobicContact CD2-CB 4.14Å; L127-I132 HydrophobicContact CD2-CD1 4.43Å; L127-I132 HydrophobicContact CD2-CG2 4.1Å; L127-I132 PolarHBondContact O-N 3.4Å; L130-I132 HydrophobicContact CB-CD1 3.82Å; L130-I132 HydrophobicContact CB-CG1 3.72Å; L130-I132 HydrophobicContact CD1-CD1 3.86Å; L130-I132 PolarHBondContact O-N 2.91Å; I132-L136 HydrophobicContact CG2-CD1 3.8Å
133Q72.9Confident73.5Confident150 Ų15071.4 Ų71.470%0.70140%0.395SS*.  trans-106.1153.9177.4-63.2-173.62.700110.6S131 P135S131-Q133 PolarHBondContact O-N 2.91Å; Q133-P135 CarbonylContact O-C 3.18Å
134S71.5Confident71.1Confident54 Ų5479.4 Ų79.438%0.37843%0.43SS..SBendtrans-69.8128.3168.4-177.30000109.2K46K46-S134 PolarHBondContact N-OG 3.14Å
135P71.9Confident68.4Low50 Ų5077.4 Ų77.433%0.32544%0.442SS..SBendcis-90.9142.12.635.9-34.7000114.2K46 L48 Q133 E137K46-P135 HydrophobicContact CB-CB 3.7Å; K46-P135 CarbonylContact O-C 3.58Å; K46-P135 WeakPolarHBondContact O-CA 3.48Å; L48-P135 HydrophobicContact CB-CB 3.89Å; L48-P135 HydrophobicContact CB-CG 4.06Å; L48-P135 HydrophobicContact CD2-CG 4.37Å; Q133-P135 CarbonylContact O-C 3.18Å; P135-E137 PolarHBondContact O-N 3.33Å
136L79.6Confident65.7Low13 Ų1376.7 Ų76.77%0.06846%0.458CS..EExtended strand (participates in β ladder)trans-72.7120.2174.8176.167.8000111F45 K46 L47 L48 L62 W89 I132F45-L136 HydrophobicContact CE1-CB 3.83Å; F45-L136 HydrophobicContact CE1-CD2 4.49Å; F45-L136 HydrophobicContact CZ-CB 3.81Å; K46-L136 PolarHBondContact O-N 2.81Å; L47-L136 HydrophobicContact CD2-CB 3.9Å; L47-L136 HydrophobicContact CD2-CD2 3.82Å; L47-L136 HydrophobicContact CD2-CG 4.28Å; L48-L136 PolarHBondContact N-O 3.23Å; L62-L136 HydrophobicContact CD1-CD2 4.49Å; W89-L136 HydrophobicContact CE3-CD2 3.84Å; W89-L136 HydrophobicContact CZ3-CD2 4.49Å; I132-L136 HydrophobicContact CG2-CD1 3.8Å
137E78.8Confident62.8Low100 Ų10080.4 Ų80.447%0.46750%0.497SS..EExtended strand (participates in β ladder)trans-83.6122.3-177.7-53.3-164.8158.700113L48 K50 P135L48-E137 HydrophobicContact CD2-CG 4.17Å; L48-E137 CarbonylContact O-C 3.6Å; L48-E137 WeakPolarHBondContact O-CA 3.41Å; K50-E137 VanDerWaalsContact CE-OE1 3.3Å; K50-E137 WeakPolarHBondContact CE-OE1 3.34Å; K50-E137 WeakPolarHBondContact CE-OE2 3.37Å; K50-E137 IonicContact NZ-OE1 2.63Å; K50-E137 PolarHBondContact NZ-OE1 3.05Å; K50-E137 IonicContact NZ-OE2 3.92Å; K50-E137 PolarHBondContact NZ-OE2 2.88Å; P135-E137 PolarHBondContact O-N 3.33Å
138L77.2Confident60.1Low11 Ų1189 Ų896%0.05854%0.537CS..EExtended strand (participates in β ladder)trans-104.7122174.2-60.1173.3000110.2L47 L48 V49 K50 P205 L206 L209L47-L138 HydrophobicContact CD1-CD1 4.4Å; L48-L138 PolarHBondContact O-N 2.92Å; V49-L138 HydrophobicContact CG2-CB 4.19Å; V49-L138 HydrophobicContact CG2-CD1 4.01Å; K50-L138 PolarHBondContact N-O 2.86Å; L138-P205 HydrophobicContact CD1-CG 4.4Å; L138-P205 HydrophobicContact CD2-CG 4.33Å; L138-L206 HydrophobicContact CD1-CD1 4.38Å; L138-L209 HydrophobicContact CD1-CD1 3.6Å; L138-L209 HydrophobicContact CD2-CD1 4.19Å
139N67Low57.3Low132 Ų13296.9 Ų96.971%0.70655%0.553SS**EExtended strand (participates in β ladder)trans-90.1114.7178.8-74-39.3000110.8
140R63.3Low54.5Low122 Ų122104.9 Ų104.946%0.4658%0.581SS.*  trans-81.6119.2170.4-81.9179.2157.8-171.2-2.7110.4V49 S142 D204V49-R140 HydrophobicContact CG1-CG 4.03Å; R140-S142 PolarHBondContact O-N 3.13Å; R140-S142 VanDerWaalsContact O-N 3.17Å; R140-D204 IonicContact CZ-OD2 3.89Å; R140-D204 VanDerWaalsContact CZ-OD2 3.25Å; R140-D204 IonicContact NE-OD1 3.41Å; R140-D204 PolarHBondContact NE-OD1 3.3Å; R140-D204 IonicContact NE-OD2 3.95Å; R140-D204 PolarHBondContact NE-OD2 3.2Å; R140-D204 VanDerWaalsContact NE-OD2 3.1Å; R140-D204 IonicContact NH2-OD2 3.61Å; R140-D204 PolarHBondContact NH2-OD2 3.41Å
141S48.2Very low51.5Low79 Ų79113 Ų11355%0.55262%0.616SS**  trans-78.196.4169.559.20000110.3S143 P201S141-S143 PolarHBondContact O-N 3.1Å; S141-P201 PolarHBondContact OG-O 2.81Å; S141-P201 VanDerWaalsContact OG-O 3.1Å
142S37.4Very low48.9Very low107 Ų107115.5 Ų115.575%0.74863%0.627SS**  trans-74.5100.2176.1-60.30000111.4R140 K144R140-S142 PolarHBondContact O-N 3.13Å; R140-S142 VanDerWaalsContact O-N 3.17Å; S142-K144 PolarHBondContact O-N 2.99Å
143S36.7Very low46.3Very low104 Ų104122.1 Ų122.173%0.72766%0.662SS**  trans-81.6107.5165.3-94.80000110.4S141 G145S141-S143 PolarHBondContact O-N 3.1Å; S143-G145 PolarHBondContact O-N 3.13Å
144K34.3Very low44.5Very low210 Ų210120 Ų12091%0.91366%0.662SS**  trans-69.496.1163.5-84.8-177175.2177.20109.4S142 G146S142-K144 PolarHBondContact O-N 2.99Å; K144-G146 VanDerWaalsContact C-N 3.32Å; K144-G146 PolarHBondContact O-N 3.12Å; K144-G146 VanDerWaalsContact O-N 3.08Å
145G28.9Very low42.2Very low79 Ų79126.7 Ų126.781%0.81469%0.687SS**  trans-73.682.2162.200000110.8S143 G147S143-G145 PolarHBondContact O-N 3.13Å; G145-G147 PolarHBondContact O-N 2.67Å
146G28.5Very low39.9Very low76 Ų76128 Ų12878%0.78470%0.702SS**  trans-83.289.5166.800000110K144 E148K144-G146 VanDerWaalsContact C-N 3.32Å; K144-G146 PolarHBondContact O-N 3.12Å; K144-G146 VanDerWaalsContact O-N 3.08Å; G146-E148 PolarHBondContact O-N 2.89Å
147G26.3Very low37.3Very low79 Ų79136.8 Ų136.881%0.81474%0.74SS**  trans-76.3106.217100000111.2G145G145-G147 PolarHBondContact O-N 2.67Å
148E28.2Very low34.7Very low201 Ų201139 Ų13994%0.93976%0.76SS**  trans-105.9118.4156.3-91.9-174.410700109.9G146G146-E148 PolarHBondContact O-N 2.89Å
149R26.6Very low32.2Very low249 Ų249141.6 Ų141.694%0.9479%0.789SS**  trans-76.2128.8172.4-69.1171.9173.3171.6-2.3109.4
150R26.3Very low30.1Very low251 Ų251141 Ų14195%0.94779%0.791SS**  trans-150.8123.9140-115.3172-176.1174.41.2111.5
151K23.8Very low28.2Very low199 Ų199144 Ų14487%0.86581%0.81SS**  trans-62.8144175.3-70.2173.9169-178.80111.2
152T22Very low26.9Very low141 Ų141144.6 Ų144.687%0.86581%0.813SS**  178.9118.9118.4350000109.6
153D22.4Very low26.2Very low157 Ų157147.6 Ų147.684%0.8482%0.817SS**  trans-77.5179.9160.6-83-57.6000110.5
154P35.5Very low25.6Very low105 Ų105147.4 Ų147.468%0.68282%0.816SS**  cis-135.5169.2-47.737-21.8000111.2
155E22.8Very low25Very low196 Ų196145.8 Ų145.892%0.91681%0.812SS**  trans-171.7127.4141.8-110.6172.8145.500115.5
156A24.6Very low24.7Very low78 Ų78147.1 Ų147.165%0.64581%0.809SS**  trans71.4115.7135.600000124
157K25.2Very low24.4Very low196 Ų196152.9 Ų152.985%0.85282%0.815SS**  71.8111.7124.7-68.3-177.9-1791790119.3
158V23.2Very low24.2Very low147 Ų147158.3 Ų158.389%0.89182%0.816SS**  81.8126.287.9169.10000114.1
159G24.6Very low24.1Very low65 Ų65154.9 Ų154.967%0.6781%0.811SS**  trans128.790.8159.600000113.4
160T23.4Very low23.8Very low121 Ų121151 Ų15174%0.74280%0.804SS**  80.2112.781.8-61.70000114.4
161Q23.9Very low23.7Very low183 Ų183147.1 Ų147.186%0.85580%0.796SS**  trans50.5160.8144.9-81.8178.9-44.200119.6
162C21.4Very low23.6Very low92 Ų92146 Ų14662%0.62279%0.791SS**  cis175.7138.7-7.8165.40000104.6
163M21.3Very low23.7Very low170 Ų170149.6 Ų149.684%0.83780%0.795SS**  trans41.3135148.4-59.4-168.4118.500123
164S23.6Very low23.7Very low100 Ų100146.3 Ų146.370%0.69979%0.79SS**  163.8126100.647.10000111.4
165Q22.7Very low23.1Very low177 Ų177148.9 Ų148.983%0.82780%0.798SS**  78.3111.9111.9-65.5-175.915.800115.1
166S21.9Very low23.2Very low107 Ų107145 Ų14575%0.74879%0.788SS**  82.4133.9103.2-55.20000111.2
167E23.3Very low23Very low196 Ų196150.6 Ų150.692%0.91680%0.797SS**  -166.5164.861.2-71-177.7110.400111.8
168K21.6Very low22.9Very low194 Ų194149.9 Ų149.984%0.84379%0.794SS**  trans-80.2178179-67178.2173.41780113.4
169P25.2Very low22.8Very low129 Ų129151 Ų15184%0.83879%0.79SS**  -147.2170.299.330.9-9.8000117.4
170E21.5Very low22.7Very low168 Ų168154.9 Ų154.979%0.78580%0.795SS**  trans-64.2167.2179.5-61168.6105.100113.8
171E23.2Very low23.1Very low168 Ų168154 Ų15479%0.78579%0.794SS**  -170.3142.262.8-76.2-172.4117.600114.8
172K23Very low23.1Very low175 Ų175148.8 Ų148.876%0.76179%0.789SS**  trans23.7134.2139.6-59.4173.8-176.3165.90123.9
173K24Very low23.4Very low217 Ų217153.1 Ų153.194%0.94380%0.8SS**  -167.7149.1118.2-107176.5-175.8-1790113.7
174A22.2Very low23.6Very low89 Ų89153.4 Ų153.474%0.73680%0.799SS**  trans-87.9156.2-174.900000113.8
175D22.9Very low23.8Very low159 Ų159157.4 Ų157.485%0.8580%0.804SS**  170.7165.6109.2-116.2-60.1000113.9
176V23.5Very low24Very low115 Ų115153.5 Ų153.570%0.69780%0.796SS**  trans-105.1141.5-145.5160.40000116.6
177K21.6Very low24.7Very low194 Ų194154.5 Ų154.584%0.84380%0.801SS**  trans52.8127.8149-73.9173.4-178.9-176.60123.8
178K22.9Very low25.2Very low182 Ų182150.5 Ų150.579%0.79179%0.794SS**  -163.5123.8111.4-121.2177.6176.2-179.40114.1
179E21.5Very low26.4Very low170 Ų170147 Ų14779%0.79479%0.794SS**  trans27.6137141.6-55.8170.9143.300119.1
180N22.8Very low27.6Very low147 Ų147149.4 Ų149.479%0.78679%0.794SS**  cis-174.215244.8-174.422.8000110.9
181S30.2Very low29.5Very low102 Ų102144.6 Ų144.671%0.71378%0.779SS**  trans53.111514861.90000122.2
182G24.8Very low32.1Very low73 Ų73137.9 Ų137.975%0.75375%0.748SS**  trans148.682.4158.700000112H184G182-H184 VanDerWaalsContact C-N 3.32Å; G182-H184 PolarHBondContact O-N 3.48Å
183Q28.1Very low34.8Very low183 Ų183135.1 Ų135.186%0.85575%0.748SS**  trans-72.592174.6-91.1-179.8-12.800110.1F185Q183-F185 PolarHBondContact O-N 3.34Å
184H24.8Very low37.7Very low177 Ų177128 Ų12882%0.81972%0.715SS**  trans-73.3103.6160.4-130.2-86.3000107.5G182 S186G182-H184 VanDerWaalsContact C-N 3.32Å; G182-H184 PolarHBondContact O-N 3.48Å; H184-S186 PolarHBondContact O-N 2.99Å
185F27.3Very low40.7Very low184 Ų184123.9 Ų123.981%0.80768%0.682SS**  trans-73.6118.7167.6-97.3-94.2000108.6Q183Q183-F185 PolarHBondContact O-N 3.34Å
186S28Very low43.5Very low94 Ų94119.3 Ų119.366%0.65766%0.659SS**  trans-93.5133.2172.9-47.80000107.8H184 S188H184-S186 PolarHBondContact O-N 2.99Å; S186-S188 PolarHBondContact O-N 3.39Å; S186-S188 VanDerWaalsContact O-N 3.16Å
187P36.2Very low46Very low129 Ų129116.5 Ų116.584%0.83864%0.643SS**  trans-78104.5-17929.8-29.8000109.4S189P187-S189 PolarHBondContact O-N 3.49Å; P187-S189 VanDerWaalsContact O-N 3.17Å
188S33.5Very low48.2Very low111 Ų111111.5 Ų111.578%0.77662%0.624SS**  trans-73.2100.716050.30000107.8S186 Q190S186-S188 PolarHBondContact O-N 3.39Å; S186-S188 VanDerWaalsContact O-N 3.16Å; S188-Q190 PolarHBondContact O-N 3.2Å
189S46.3Very low50Low121 Ų121104.2 Ų104.285%0.84659%0.594SS**  trans-68.775.7174.256.90000111P187P187-S189 PolarHBondContact O-N 3.49Å; P187-S189 VanDerWaalsContact O-N 3.17Å
190Q50.1Low51.7Low179 Ų179101.9 Ų101.984%0.83659%0.587SS**  trans-112.3105.3159-74-171.1-3.900106.6S188 D192S188-Q190 PolarHBondContact O-N 3.2Å; Q190-D192 PolarHBondContact O-N 2.9Å
191S62.1Low53.3Low67 Ų6799.8 Ų99.847%0.46958%0.581SS.*  trans-65.4130.6177.562.10000109.8K92K92-S191 VanDerWaalsContact CE-CB 3.46Å; K92-S191 WeakPolarHBondContact CE-OG 3.13Å; K92-S191 PolarHBondContact NZ-OG 2.9Å
192D77.8Confident54.5Low27 Ų27102.2 Ų102.214%0.14458%0.581CS.*  trans-58.1128.9179-168.4-42.6000109.8K92 S96 C99 Q190 R194 A195K92-D192 WeakPolarHBondContact CE-O 3.33Å; S96-D192 PolarHBondContact OG-N 3.45Å; C99-D192 WeakPolarHBondContact CB-OD2 3.35Å; Q190-D192 PolarHBondContact O-N 2.9Å; D192-R194 PolarHBondContact O-N 3.29Å; D192-R194 WeakPolarHBondContact OD1-CB 2.98Å; D192-R194 WeakPolarHBondContact OD1-CG 3.37Å; D192-R194 PolarHBondContact OD1-N 3.44Å; D192-R194 IonicContact OD1-NE 3.1Å; D192-R194 PolarHBondContact OD1-NE 3Å; D192-R194 VanDerWaalsContact OD1-NE 3.11Å; D192-R194 IonicContact OD1-NH2 3.03Å; D192-R194 IonicContact OD2-CZ 3.81Å; D192-R194 IonicContact OD2-NE 3.25Å; D192-R194 PolarHBondContact OD2-NE 3.3Å; D192-R194 IonicContact OD2-NH2 3.04Å; D192-R194 PolarHBondContact OD2-NH2 2.96Å; D192-A195 HydrophobicContact CB-CB 4.36Å; D192-A195 PolarHBondContact O-N 3.38Å
193P79.1Confident56.4Low117 Ų117100.8 Ų100.876%0.7656%0.559SS**THydrogen-bonded Turntrans-64-21.5178.226.4-35.1000113.4A195P193-A195 VanDerWaalsContact C-N 3.31Å
194R86.4Confident58.4Low67 Ų6794.3 Ų94.325%0.25353%0.531SS..THydrogen-bonded Turntrans-78.4-14.3177.7-59.4173.5-69.4178.80.9113.2F83 S84 L85 D103 D192 V196F83-R194 VanDerWaalsContact CE1-NH1 3.26Å; F83-R194 WeakPolarHBondContact O-CB 3.3Å; F83-R194 WeakPolarHBondContact O-CD 3.26Å; F83-R194 VanDerWaalsContact O-CG 3.28Å; F83-R194 WeakPolarHBondContact O-CG 3.28Å; S84-R194 WeakPolarHBondContact CA-O 3.4Å; S84-R194 WeakPolarHBondContact CB-O 3.35Å; L85-R194 PolarHBondContact N-O 2.91Å; D103-R194 IonicContact OD1-CZ 3.29Å; D103-R194 IonicContact OD1-NH1 2.7Å; D103-R194 PolarHBondContact OD1-NH1 3.29Å; D103-R194 IonicContact OD1-NH2 4Å; D103-R194 IonicContact OD2-CZ 2.67Å; D103-R194 IonicContact OD2-NH1 3.42Å; D103-R194 PolarHBondContact OD2-NH1 3.27Å; D103-R194 IonicContact OD2-NH2 2.66Å; D103-R194 PolarHBondContact OD2-NH2 2.63Å; D192-R194 PolarHBondContact O-N 3.29Å; D192-R194 WeakPolarHBondContact OD1-CB 2.98Å; D192-R194 WeakPolarHBondContact OD1-CG 3.37Å; D192-R194 PolarHBondContact OD1-N 3.44Å; D192-R194 IonicContact OD1-NE 3.1Å; D192-R194 PolarHBondContact OD1-NE 3Å; D192-R194 VanDerWaalsContact OD1-NE 3.11Å; D192-R194 IonicContact OD1-NH2 3.03Å; D192-R194 IonicContact OD2-CZ 3.81Å; D192-R194 IonicContact OD2-NE 3.25Å; D192-R194 PolarHBondContact OD2-NE 3.3Å; D192-R194 IonicContact OD2-NH2 3.04Å; D192-R194 PolarHBondContact OD2-NH2 2.96Å; R194-V196 PolarHBondContact O-N 3.1Å
195A84.8Confident60.6Low4 Ų486.8 Ų86.83%0.03350%0.498CS..EExtended strand (participates in β ladder)trans-84.9100176.600000110.7K92 L95 D192 P193K92-A195 VanDerWaalsContact CE-O 3.24Å; K92-A195 WeakPolarHBondContact CE-O 3.46Å; K92-A195 HydrophobicContact CG-CB 3.98Å; L95-A195 HydrophobicContact CB-CB 3.59Å; D192-A195 HydrophobicContact CB-CB 4.36Å; D192-A195 PolarHBondContact O-N 3.38Å; P193-A195 VanDerWaalsContact C-N 3.31Å
196V82.2Confident63.1Low62 Ų6278.6 Ų78.638%0.37646%0.462SS..EExtended strand (participates in β ladder)trans-104.2111.2-176.5-176.20000110.1L85 S86 R194 L198L85-V196 PolarHBondContact O-N 3.25Å; S86-V196 WeakPolarHBondContact CA-O 3.48Å; S86-V196 WeakPolarHBondContact CB-O 3.24Å; R194-V196 PolarHBondContact O-N 3.1Å; V196-L198 HydrophobicContact CG1-CD2 4.34Å
197V75.7Confident65.6Low57 Ų5777 Ų7735%0.34545%0.45SS..EExtended strand (participates in β ladder)trans-83.6120.8170.9-177.60000107.7K92 L95 M199K92-V197 HydrophobicContact CB-CG2 3.9Å; K92-V197 HydrophobicContact CG-CG2 4.49Å; L95-V197 HydrophobicContact CD1-CG2 4.08Å; V197-M199 HydrophobicContact CG1-CB 4.04Å; V197-M199 HydrophobicContact CG1-CG 4.46Å; V197-M199 PolarHBondContact O-N 2.92Å
198L67Low67.6Low88 Ų8874.7 Ų74.746%0.46143%0.427SS..  trans-77.12.3-177.8-65.8176.2000113.6S87 K88 V196S87-L198 PolarHBondContact O-N 3.2Å; K88-L198 HydrophobicContact CG-CB 4.21Å; K88-L198 HydrophobicContact CG-CD1 4.39Å; V196-L198 HydrophobicContact CG1-CD2 4.34Å
199M60.7Low69.9Low29 Ų2969.4 Ų69.414%0.14339%0.391CS..SBendtrans-100.3135.7-178-61.4-106.578.500110.5K88 V197 P205 Q208K88-M199 HydrophobicContact CB-CG 4.46Å; K88-M199 WeakPolarHBondContact O-CG 3.28Å; V197-M199 HydrophobicContact CG1-CB 4.04Å; V197-M199 HydrophobicContact CG1-CG 4.46Å; V197-M199 PolarHBondContact O-N 2.92Å; M199-P205 HydrophobicContact SD-CB 3.7Å; M199-Q208 VanDerWaalsContact CE-CD 3.47Å
200D58.5Low71.6Confident122 Ų12265.7 Ų65.765%0.65236%0.361SS*.  trans-60.7135.7163.8-79.2-41.6000108.8H202 S203D200-H202 PolarHBondContact O-N 3.41Å; D200-S203 PolarHBondContact O-N 3.26Å; D200-S203 PolarHBondContact O-OG 3.02Å
201P56.5Low73.1Confident103 Ų10362 Ų6267%0.66935%0.347SS*.THydrogen-bonded Turntrans-57.3-5.4177.6-24.332.6000115.1S141S141-P201 PolarHBondContact OG-O 2.81Å; S141-P201 VanDerWaalsContact OG-O 3.1Å
202H54.5Low74Confident152 Ų15261.3 Ų61.370%0.70434%0.336SS*.THydrogen-bonded Turntrans-115.3-0.9-177.6-62.2-50.1000114D200D200-H202 PolarHBondContact O-N 3.41Å
203S64.4Low74Confident43 Ų4360.2 Ų60.230%0.30133%0.33SS..SBendtrans-94.5138179.263.80000111.5D200 P205D200-S203 PolarHBondContact O-N 3.26Å; D200-S203 PolarHBondContact O-OG 3.02Å; S203-P205 WeakPolarHBondContact O-CD 3.34Å
204D70.2Confident74Confident47 Ų4761.1 Ų61.125%0.25132%0.324SS..  trans-77.6119.9173.6-175.121.9000108.8R140 L206 P207R140-D204 IonicContact CZ-OD2 3.89Å; R140-D204 VanDerWaalsContact CZ-OD2 3.25Å; R140-D204 IonicContact NE-OD1 3.41Å; R140-D204 PolarHBondContact NE-OD1 3.3Å; R140-D204 IonicContact NE-OD2 3.95Å; R140-D204 PolarHBondContact NE-OD2 3.2Å; R140-D204 VanDerWaalsContact NE-OD2 3.1Å; R140-D204 IonicContact NH2-OD2 3.61Å; R140-D204 PolarHBondContact NH2-OD2 3.41Å; D204-L206 PolarHBondContact O-N 3.42Å; D204-P207 VanDerWaalsContact O-CD 3.31Å; D204-P207 WeakPolarHBondContact O-CD 3.23Å
205P72.1Confident73.6Confident20 Ų2060 Ų6013%0.1333%0.329CS..Hα-helixtrans-71.7-21.5-177.627.6-34.6000112.5L138 M199 S203 Q208 L209L138-P205 HydrophobicContact CD1-CG 4.4Å; L138-P205 HydrophobicContact CD2-CG 4.33Å; M199-P205 HydrophobicContact SD-CB 3.7Å; S203-P205 WeakPolarHBondContact O-CD 3.34Å; P205-Q208 PolarHBondContact O-N 2.88Å; P205-L209 HydrophobicContact CB-CD1 4.22Å; P205-L209 VanDerWaalsContact O-CG 3.31Å; P205-L209 WeakPolarHBondContact O-CG 3.26Å; P205-L209 PolarHBondContact O-N 2.89Å; P205-L209 VanDerWaalsContact O-N 3.15Å
206L79.2Confident73.2Confident11 Ų1161.2 Ų61.26%0.05833%0.334CS..Hα-helixtrans-58.2-48.3-170.1-178.767000114.2L47 V49 Y57 L138 D204 Q208 L209 L210L47-L206 HydrophobicContact CD1-CD1 4.47Å; V49-L206 HydrophobicContact CB-CD2 4.46Å; V49-L206 HydrophobicContact CG2-CB 4.28Å; V49-L206 HydrophobicContact CG2-CD1 3.62Å; V49-L206 HydrophobicContact CG2-CD2 3.77Å; V49-L206 HydrophobicContact CG2-CG 4.07Å; Y57-L206 HydrophobicContact CD2-CD1 3.88Å; Y57-L206 HydrophobicContact CD2-CD2 4.37Å; Y57-L206 HydrophobicContact CE2-CD1 4Å; Y57-L206 HydrophobicContact CE2-CD2 3.63Å; Y57-L206 HydrophobicContact CE2-CG 4.4Å; Y57-L206 HydrophobicContact CG-CD1 4.38Å; L138-L206 HydrophobicContact CD1-CD1 4.38Å; D204-L206 PolarHBondContact O-N 3.42Å; L206-Q208 PolarHBondContact O-N 3.46Å; L206-L209 PolarHBondContact O-N 3.46Å; L206-L210 HydrophobicContact CD1-CD1 3.84Å; L206-L210 HydrophobicContact CD1-CD2 4.41Å; L206-L210 HydrophobicContact CD1-CG 3.94Å; L206-L210 HydrophobicContact CD2-CD1 4.42Å; L206-L210 HydrophobicContact CG-CD1 3.86Å; L206-L210 HydrophobicContact CG-CG 4.3Å; L206-L210 WeakPolarHBondContact O-CG 3.29Å; L206-L210 PolarHBondContact O-N 3.25Å
207P80Confident72.9Confident61 Ų6162.7 Ų62.740%0.39633%0.333SS..Hα-helixtrans-59.3-44.4179.3-23.635.5000112.3D204 L209 L210 D211D204-P207 VanDerWaalsContact O-CD 3.31Å; D204-P207 WeakPolarHBondContact O-CD 3.23Å; P207-L209 VanDerWaalsContact C-N 3.28Å; P207-L209 PolarHBondContact O-N 2.75Å; P207-L210 PolarHBondContact O-N 3.13Å; P207-D211 VanDerWaalsContact O-CB 3.29Å; P207-D211 WeakPolarHBondContact O-CB 3.46Å; P207-D211 PolarHBondContact O-N 3.03Å
208Q77.8Confident72.9Confident80 Ų8064.9 Ų64.937%0.37434%0.339SS..Hα-helixtrans-65.9-31.9-179.3-61.9-173.118.800112.9M199 P205 L206 F212M199-Q208 VanDerWaalsContact CE-CD 3.47Å; P205-Q208 PolarHBondContact O-N 2.88Å; L206-Q208 PolarHBondContact O-N 3.46Å; Q208-F212 VanDerWaalsContact O-CB 3.28Å; Q208-F212 WeakPolarHBondContact O-CB 3.3Å; Q208-F212 PolarHBondContact O-N 2.76Å; Q208-F212 VanDerWaalsContact O-N 3.17Å
209L82.5Confident73.2Confident1 Ų165.1 Ų65.11%0.00533%0.334CS..Hα-helixtrans-72.5-42.1176-64.3171.9000111.8L47 L62 P63 W89 L138 P205 L206 P207 D213L47-L209 HydrophobicContact CD1-CB 4.06Å; L47-L209 HydrophobicContact CD1-CD1 4.12Å; L62-L209 HydrophobicContact CD2-CD2 4.29Å; P63-L209 HydrophobicContact CG-CD2 3.58Å; W89-L209 HydrophobicContact CB-CD1 4.2Å; W89-L209 HydrophobicContact CB-CD2 3.76Å; W89-L209 HydrophobicContact CG-CD2 4.36Å; L138-L209 HydrophobicContact CD1-CD1 3.6Å; L138-L209 HydrophobicContact CD2-CD1 4.19Å; P205-L209 HydrophobicContact CB-CD1 4.22Å; P205-L209 VanDerWaalsContact O-CG 3.31Å; P205-L209 WeakPolarHBondContact O-CG 3.26Å; P205-L209 PolarHBondContact O-N 2.89Å; P205-L209 VanDerWaalsContact O-N 3.15Å; L206-L209 PolarHBondContact O-N 3.46Å; P207-L209 VanDerWaalsContact C-N 3.28Å; P207-L209 PolarHBondContact O-N 2.75Å; L209-D213 WeakPolarHBondContact O-CB 3.48Å; L209-D213 PolarHBondContact O-N 3.06Å
210L81Confident73.6Confident42 Ų4264.1 Ų64.122%0.2233%0.33CS..Hα-helixtrans-71.2-41.6178-64.8177.9000112Y57 V59 L206 P207 F212 D213 E214Y57-L210 HydrophobicContact CD1-CD1 3.7Å; Y57-L210 HydrophobicContact CD1-CD2 3.94Å; Y57-L210 HydrophobicContact CD1-CG 4.48Å; Y57-L210 HydrophobicContact CE1-CD1 3.77Å; Y57-L210 HydrophobicContact CG-CD1 4.27Å; Y57-L210 HydrophobicContact CG-CD2 4.04Å; V59-L210 HydrophobicContact CG1-CD2 4.11Å; L206-L210 HydrophobicContact CD1-CD1 3.84Å; L206-L210 HydrophobicContact CD1-CD2 4.41Å; L206-L210 HydrophobicContact CD1-CG 3.94Å; L206-L210 HydrophobicContact CD2-CD1 4.42Å; L206-L210 HydrophobicContact CG-CD1 3.86Å; L206-L210 HydrophobicContact CG-CG 4.3Å; L206-L210 WeakPolarHBondContact O-CG 3.29Å; L206-L210 PolarHBondContact O-N 3.25Å; P207-L210 PolarHBondContact O-N 3.13Å; L210-F212 VanDerWaalsContact C-N 3.29Å; L210-F212 PolarHBondContact O-N 3.07Å; L210-D213 PolarHBondContact O-N 3.24Å; L210-E214 WeakPolarHBondContact O-CB 3.34Å; L210-E214 PolarHBondContact O-N 3.11Å
211D82.5Confident74.2Confident102 Ų10263.9 Ų63.955%0.54532%0.324SS..Hα-helixtrans-61-41176-66.4-15000110.5P207 A215P207-D211 VanDerWaalsContact O-CB 3.29Å; P207-D211 WeakPolarHBondContact O-CB 3.46Å; P207-D211 PolarHBondContact O-N 3.03Å; D211-A215 VanDerWaalsContact O-CB 3.26Å; D211-A215 WeakPolarHBondContact O-CB 3.45Å; D211-A215 PolarHBondContact O-N 3.22Å
212F81.2Confident74.8Confident53 Ų5360.8 Ų60.823%0.23230%0.302CS..Hα-helixtrans-66.3-47174.9-176.5-92.6000111.9F61 L62 P63 Q208 L210 E214 A215 Q216F61-F212 HydrophobicContact CB-CD1 4.34Å; F61-F212 HydrophobicContact CB-CE1 4.06Å; L62-F212 VanDerWaalsContact O-CE1 3.26Å; L62-F212 WeakPolarHBondContact O-CE1 2.93Å; P63-F212 HydrophobicContact CG-CB 4.11Å; P63-F212 HydrophobicContact CG-CD1 4.02Å; P63-F212 HydrophobicContact CG-CD2 4.48Å; P63-F212 HydrophobicContact CG-CG 3.94Å; Q208-F212 VanDerWaalsContact O-CB 3.28Å; Q208-F212 WeakPolarHBondContact O-CB 3.3Å; Q208-F212 PolarHBondContact O-N 2.76Å; Q208-F212 VanDerWaalsContact O-N 3.17Å; L210-F212 VanDerWaalsContact C-N 3.29Å; L210-F212 PolarHBondContact O-N 3.07Å; F212-E214 PolarHBondContact O-N 3.47Å; F212-A215 PolarHBondContact O-N 2.91Å; F212-Q216 HydrophobicContact CD1-CG 4.13Å; F212-Q216 HydrophobicContact CE1-CG 3.71Å; F212-Q216 HydrophobicContact CE2-CG 4.29Å; F212-Q216 HydrophobicContact CZ-CG 3.8Å; F212-Q216 WeakPolarHBondContact O-CG 3.48Å; F212-Q216 PolarHBondContact O-N 3.48Å
213D77.5Confident75.3Confident4 Ų454.2 Ų54.22%0.02128%0.275CS..Hα-helixtrans-60-44.6177.7-178.766.4000112.1V59 C60 F61 L209 L210 Q216 R217V59-D213 HydrophobicContact CB-CB 4.33Å; V59-D213 HydrophobicContact CG1-CB 4.13Å; C60-D213 PolarHBondContact N-OD1 3.33Å; F61-D213 PolarHBondContact N-OD1 2.89Å; L209-D213 WeakPolarHBondContact O-CB 3.48Å; L209-D213 PolarHBondContact O-N 3.06Å; L210-D213 PolarHBondContact O-N 3.24Å; D213-Q216 PolarHBondContact O-N 3.43Å; D213-R217 WeakPolarHBondContact O-CB 3.08Å; D213-R217 VanDerWaalsContact O-CG 3.29Å; D213-R217 WeakPolarHBondContact O-CG 3.36Å; D213-R217 PolarHBondContact O-N 2.74Å; D213-R217 IonicContact OD1-CZ 3.33Å; D213-R217 IonicContact OD1-NE 2.72Å; D213-R217 IonicContact OD2-CZ 3.74Å; D213-R217 IonicContact OD2-NE 3.38Å; D213-R217 PolarHBondContact OD2-NE 2.86Å; D213-R217 IonicContact OD2-NH1 2.73Å; D213-R217 PolarHBondContact OD2-NH1 3.19Å; D213-R217 IonicContact OD2-NH2 3.67Å; D213-R217 PolarHBondContact OD2-NH2 3.41Å
214E78.4Confident75.7Confident136 Ų13655.9 Ų55.964%0.63628%0.277SS*.Hα-helixtrans-63.9-45.7177.6-174.3170.5-168.900111.6L210 F212 Q216 R217 Q218L210-E214 WeakPolarHBondContact O-CB 3.34Å; L210-E214 PolarHBondContact O-N 3.11Å; F212-E214 PolarHBondContact O-N 3.47Å; E214-Q216 PolarHBondContact O-N 2.89Å; E214-R217 PolarHBondContact O-N 2.84Å; E214-Q218 WeakPolarHBondContact O-CB 3.15Å; E214-Q218 PolarHBondContact O-N 2.83Å
215A77.9Confident75.6Confident42 Ų4256 Ų5635%0.34728%0.276SS..Hα-helixtrans-60.4-43.4176.800000112.2D211 F212 Q218 R219D211-A215 VanDerWaalsContact O-CB 3.26Å; D211-A215 WeakPolarHBondContact O-CB 3.45Å; D211-A215 PolarHBondContact O-N 3.22Å; F212-A215 PolarHBondContact O-N 2.91Å; A215-Q218 PolarHBondContact O-N 3.08Å; A215-R219 WeakPolarHBondContact O-CG 3.48Å; A215-R219 PolarHBondContact O-N 2.92Å; A215-R219 VanDerWaalsContact O-N 3.1Å
216Q76.4Confident75.4Confident31 Ų3157.2 Ų57.215%0.14528%0.28CS..Hα-helixtrans-69.2-38.4177.5-67.1-56.3-30.900112.2F61 F212 D213 E214 Q218 R219 A220F61-Q216 HydrophobicContact CB-CB 3.98Å; F61-Q216 HydrophobicContact CB-CG 4.18Å; F61-Q216 HydrophobicContact CD1-CB 4.18Å; F61-Q216 HydrophobicContact CD2-CB 3.4Å; F61-Q216 VanDerWaalsContact CD2-CB 3.4Å; F61-Q216 HydrophobicContact CD2-CG 4.46Å; F61-Q216 HydrophobicContact CE2-CB 3.86Å; F61-Q216 HydrophobicContact CG-CB 3.58Å; F61-Q216 HydrophobicContact CG-CG 4.2Å; F61-Q216 HydrophobicContact CZ-CB 4.42Å; F212-Q216 HydrophobicContact CD1-CG 4.13Å; F212-Q216 HydrophobicContact CE1-CG 3.71Å; F212-Q216 HydrophobicContact CE2-CG 4.29Å; F212-Q216 HydrophobicContact CZ-CG 3.8Å; F212-Q216 WeakPolarHBondContact O-CG 3.48Å; F212-Q216 PolarHBondContact O-N 3.48Å; D213-Q216 PolarHBondContact O-N 3.43Å; E214-Q216 PolarHBondContact O-N 2.89Å; Q216-Q218 VanDerWaalsContact C-N 3.35Å; Q216-Q218 PolarHBondContact O-N 2.91Å; Q216-R219 PolarHBondContact O-N 2.86Å; Q216-A220 WeakPolarHBondContact O-CB 3.4Å; Q216-A220 PolarHBondContact O-N 2.84Å
217R76Confident75.3Confident93 Ų9356.8 Ų56.835%0.35128%0.278SS..Hα-helixtrans-62.6-40173.7-79.2177.1170.8163.75.2112.5N58 C60 F61 D213 E214 A220 F221N58-R217 PolarHBondContact O-NH1 3.18Å; N58-R217 PolarHBondContact O-NH2 3.48Å; C60-R217 PolarHBondContact SG-NE 3.06Å; C60-R217 VanDerWaalsContact SG-NE 3.36Å; C60-R217 PolarHBondContact SG-NH2 3.08Å; F61-R217 HydrophobicContact CD2-CG 4.12Å; F61-R217 HydrophobicContact CE2-CG 3.86Å; D213-R217 WeakPolarHBondContact O-CB 3.08Å; D213-R217 VanDerWaalsContact O-CG 3.29Å; D213-R217 WeakPolarHBondContact O-CG 3.36Å; D213-R217 PolarHBondContact O-N 2.74Å; D213-R217 IonicContact OD1-CZ 3.33Å; D213-R217 IonicContact OD1-NE 2.72Å; D213-R217 IonicContact OD2-CZ 3.74Å; D213-R217 IonicContact OD2-NE 3.38Å; D213-R217 PolarHBondContact OD2-NE 2.86Å; D213-R217 IonicContact OD2-NH1 2.73Å; D213-R217 PolarHBondContact OD2-NH1 3.19Å; D213-R217 IonicContact OD2-NH2 3.67Å; D213-R217 PolarHBondContact OD2-NH2 3.41Å; E214-R217 PolarHBondContact O-N 2.84Å; R217-A220 PolarHBondContact O-N 3.43Å; R217-F221 WeakPolarHBondContact O-CB 3.23Å; R217-F221 PolarHBondContact O-N 3.42Å
218Q76.9Confident74.8Confident102 Ų10261.5 Ų61.548%0.47729%0.288SS..Hα-helixtrans-63.9-46176.1-174.758.543.900110.8E214 A215 Q216 A220 F221 D222E214-Q218 WeakPolarHBondContact O-CB 3.15Å; E214-Q218 PolarHBondContact O-N 2.83Å; A215-Q218 PolarHBondContact O-N 3.08Å; Q216-Q218 VanDerWaalsContact C-N 3.35Å; Q216-Q218 PolarHBondContact O-N 2.91Å; Q218-A220 PolarHBondContact O-N 3.23Å; Q218-F221 PolarHBondContact O-N 3.26Å; Q218-D222 VanDerWaalsContact NE2-CG 3.27Å; Q218-D222 PolarHBondContact NE2-OD1 3.15Å; Q218-D222 PolarHBondContact NE2-OD2 3.5Å; Q218-D222 PolarHBondContact O-N 3.08Å
219R73.6Confident74.5Confident93 Ų9363 Ų6335%0.35130%0.298SS..Hα-helixtrans-58.8-45.3174.5-70.1174.4-173.3-170.11.6112.7A215 Q216 F221 D222 G223 P238 L254A215-R219 WeakPolarHBondContact O-CG 3.48Å; A215-R219 PolarHBondContact O-N 2.92Å; A215-R219 VanDerWaalsContact O-N 3.1Å; Q216-R219 PolarHBondContact O-N 2.86Å; R219-F221 PolarHBondContact O-N 3.28Å; R219-D222 PolarHBondContact O-N 2.96Å; R219-G223 PolarHBondContact O-N 3.05Å; R219-P238 HydrophobicContact CB-CG 4.35Å; R219-P238 HydrophobicContact CG-CG 3.73Å; R219-L254 HydrophobicContact CB-CD1 4.48Å; R219-L254 HydrophobicContact CB-CD2 4.05Å
220A69.3Low73.7Confident9 Ų964.9 Ų64.97%0.07432%0.318CS..Hα-helixtrans-58.9-45174.800000112.2Q216 R217 Q218 K224 L254Q216-A220 WeakPolarHBondContact O-CB 3.4Å; Q216-A220 PolarHBondContact O-N 2.84Å; R217-A220 PolarHBondContact O-N 3.43Å; Q218-A220 PolarHBondContact O-N 3.23Å; A220-K224 WeakPolarHBondContact O-CG 3.4Å; A220-K224 PolarHBondContact O-N 2.92Å; A220-L254 HydrophobicContact CB-CB 4.44Å; A220-L254 WeakPolarHBondContact CB-O 3.42Å
221F71.3Confident73.1Confident117 Ų11766.6 Ų66.651%0.51333%0.328SS..Hα-helixtrans-63.7-48.5178.6179.9-98.2000112R217 Q218 R219 G223 K224 I225R217-F221 WeakPolarHBondContact O-CB 3.23Å; R217-F221 PolarHBondContact O-N 3.42Å; Q218-F221 PolarHBondContact O-N 3.26Å; R219-F221 PolarHBondContact O-N 3.28Å; F221-G223 VanDerWaalsContact C-N 3.31Å; F221-G223 PolarHBondContact O-N 2.99Å; F221-K224 PolarHBondContact O-N 3.31Å; F221-I225 HydrophobicContact CD1-CG1 4.33Å; F221-I225 HydrophobicContact CE1-CD1 4.43Å; F221-I225 HydrophobicContact CE1-CG1 3.93Å; F221-I225 HydrophobicContact CZ-CD1 4.08Å; F221-I225 HydrophobicContact CZ-CG1 4.05Å; F221-I225 WeakPolarHBondContact O-CG1 3.46Å; F221-I225 PolarHBondContact O-N 2.84Å
222D68.9Low72.4Confident38 Ų3862 Ų6220%0.20330%0.303CS..Hα-helixtrans-63.8-38.3-179.7-66.9-29.1000111.6Q218 R219 I225 Q226 P238Q218-D222 VanDerWaalsContact NE2-CG 3.27Å; Q218-D222 PolarHBondContact NE2-OD1 3.15Å; Q218-D222 PolarHBondContact NE2-OD2 3.5Å; Q218-D222 PolarHBondContact O-N 3.08Å; R219-D222 PolarHBondContact O-N 2.96Å; D222-I225 PolarHBondContact O-N 3.18Å; D222-Q226 WeakPolarHBondContact O-CG 3.33Å; D222-Q226 PolarHBondContact O-N 3.47Å; D222-Q226 VanDerWaalsContact O-N 3.11Å; D222-P238 HydrophobicContact CB-CB 4.14Å; D222-P238 WeakPolarHBondContact OD2-CB 3.49Å
223G63.5Low71.3Confident13 Ų1365.1 Ų65.113%0.13432%0.319CS..Hα-helixtrans-60.3-46.8171.700000112.7R219 F221 I225 Q226 I227R219-G223 PolarHBondContact O-N 3.05Å; F221-G223 VanDerWaalsContact C-N 3.31Å; F221-G223 PolarHBondContact O-N 2.99Å; G223-I225 VanDerWaalsContact C-N 3.3Å; G223-I225 PolarHBondContact O-N 2.86Å; G223-Q226 PolarHBondContact O-N 2.66Å; G223-I227 WeakPolarHBondContact O-CD1 3.24Å; G223-I227 VanDerWaalsContact O-CG1 3.26Å; G223-I227 WeakPolarHBondContact O-CG1 3.48Å; G223-I227 PolarHBondContact O-N 3.41Å
224K72.7Confident70.5Confident79 Ų7967.8 Ų67.834%0.34334%0.337SS..Hα-helixtrans-60.2-38.7176.7-72.3-179.3-164.6-1600112.6A220 F221 R228 V255 D256A220-K224 WeakPolarHBondContact O-CG 3.4Å; A220-K224 PolarHBondContact O-N 2.92Å; F221-K224 PolarHBondContact O-N 3.31Å; K224-R228 WeakPolarHBondContact O-CB 3.29Å; K224-R228 PolarHBondContact O-N 3Å; K224-V255 HydrophobicContact CG-CB 4.13Å; K224-V255 HydrophobicContact CG-CG1 3.78Å; K224-D256 WeakPolarHBondContact CE-OD1 3.21Å; K224-D256 IonicContact NZ-OD1 2.92Å; K224-D256 PolarHBondContact NZ-OD1 2.84Å
225I68.3Low70Confident48 Ų4861.8 Ų61.825%0.24631%0.309CS..Hα-helixtrans-63.5-48.6176.8-67.2-65.1000110.7F221 D222 G223 I227 R228 D229F221-I225 HydrophobicContact CD1-CG1 4.33Å; F221-I225 HydrophobicContact CE1-CD1 4.43Å; F221-I225 HydrophobicContact CE1-CG1 3.93Å; F221-I225 HydrophobicContact CZ-CD1 4.08Å; F221-I225 HydrophobicContact CZ-CG1 4.05Å; F221-I225 WeakPolarHBondContact O-CG1 3.46Å; F221-I225 PolarHBondContact O-N 2.84Å; D222-I225 PolarHBondContact O-N 3.18Å; G223-I225 VanDerWaalsContact C-N 3.3Å; G223-I225 PolarHBondContact O-N 2.86Å; I225-I227 VanDerWaalsContact C-N 3.35Å; I225-I227 PolarHBondContact O-N 2.97Å; I225-R228 WeakPolarHBondContact O-CB 3.49Å; I225-R228 PolarHBondContact O-N 3.26Å; I225-D229 WeakPolarHBondContact O-CB 3.26Å; I225-D229 VanDerWaalsContact O-CG 3.32Å; I225-D229 PolarHBondContact O-N 3.36Å
226Q69.4Low69.5Low46 Ų4663.5 Ų63.522%0.21531%0.313CS..Hα-helixtrans-62.4-40179.6-69.2-174.161.700112.5D222 G223 D229 G230 N231 L235D222-Q226 WeakPolarHBondContact O-CG 3.33Å; D222-Q226 PolarHBondContact O-N 3.47Å; D222-Q226 VanDerWaalsContact O-N 3.11Å; G223-Q226 PolarHBondContact O-N 2.66Å; Q226-D229 PolarHBondContact O-N 3.04Å; Q226-G230 PolarHBondContact O-N 2.98Å; Q226-N231 PolarHBondContact O-N 3.47Å; Q226-L235 HydrophobicContact CB-CD2 3.32Å; Q226-L235 HydrophobicContact CG-CD2 4.12Å
227I76.4Confident68.8Low3 Ų363.5 Ų63.52%0.01532%0.316CS..Hα-helixtrans-65.1-40.6175.1-64.2163.4000111.5G223 I225 D229 G230 L235 V251 V255 R262 Y263G223-I227 WeakPolarHBondContact O-CD1 3.24Å; G223-I227 VanDerWaalsContact O-CG1 3.26Å; G223-I227 WeakPolarHBondContact O-CG1 3.48Å; G223-I227 PolarHBondContact O-N 3.41Å; I225-I227 VanDerWaalsContact C-N 3.35Å; I225-I227 PolarHBondContact O-N 2.97Å; I227-D229 VanDerWaalsContact C-N 3.31Å; I227-D229 PolarHBondContact O-N 3.17Å; I227-G230 PolarHBondContact O-N 3.44Å; I227-L235 HydrophobicContact CG1-CD1 4.26Å; I227-V251 HydrophobicContact CD1-CG1 3.96Å; I227-V255 HydrophobicContact CD1-CG1 3.98Å; I227-V255 HydrophobicContact CD1-CG2 4.16Å; I227-R262 HydrophobicContact CG2-CB 4.26Å; I227-R262 HydrophobicContact CG2-CG 4.14Å; I227-Y263 HydrophobicContact CD1-CG 4.46Å; I227-Y263 HydrophobicContact CG1-CD2 4.21Å; I227-Y263 HydrophobicContact CG1-CG 4.49Å
228R69.5Low68.3Low160 Ų16061.9 Ų61.960%0.60432%0.317SS*.Hα-helixtrans-62.7-42177.4-170.6-176.571.1-174.2-0.9111.1K224 I225 G230K224-R228 WeakPolarHBondContact O-CB 3.29Å; K224-R228 PolarHBondContact O-N 3Å; I225-R228 WeakPolarHBondContact O-CB 3.49Å; I225-R228 PolarHBondContact O-N 3.26Å; R228-G230 PolarHBondContact O-N 3.43Å
229D72.3Confident67.7Low110 Ų11062.4 Ų62.459%0.58832%0.32SS*.THydrogen-bonded Turntrans-78.62.1-178.3-64-8.2000112.8I225 Q226 I227 N231I225-D229 WeakPolarHBondContact O-CB 3.26Å; I225-D229 VanDerWaalsContact O-CG 3.32Å; I225-D229 PolarHBondContact O-N 3.36Å; Q226-D229 PolarHBondContact O-N 3.04Å; I227-D229 VanDerWaalsContact C-N 3.31Å; I227-D229 PolarHBondContact O-N 3.17Å; D229-N231 VanDerWaalsContact C-N 3.31Å; D229-N231 PolarHBondContact O-N 3.41Å
230G64.8Low66.7Low41 Ų4162.8 Ų62.842%0.42333%0.334SS..THydrogen-bonded Turntrans81.47.5174.100000114.3Q226 I227 R228 V232Q226-G230 PolarHBondContact O-N 2.98Å; I227-G230 PolarHBondContact O-N 3.44Å; R228-G230 PolarHBondContact O-N 3.43Å; G230-V232 PolarHBondContact O-N 3.49Å
231N67.4Low66.3Low78 Ų7872 Ų7242%0.41738%0.375SS..  trans-8996.8178.2-169.819.8000110.3Q226 D229Q226-N231 PolarHBondContact O-N 3.47Å; D229-N231 VanDerWaalsContact C-N 3.31Å; D229-N231 PolarHBondContact O-N 3.41Å
232V69.7Low65.8Low6 Ų668.7 Ų68.74%0.03637%0.366CS..  trans-117.2-12.9-177.7-62.10000114G230 C234 Y263 L266G230-V232 PolarHBondContact O-N 3.49Å; V232-C234 VanDerWaalsContact C-N 3.33Å; V232-C234 PolarHBondContact O-N 3.36Å; V232-Y263 HydrophobicContact CB-CD2 3.95Å; V232-Y263 HydrophobicContact CB-CE2 4.08Å; V232-Y263 HydrophobicContact CG1-CD2 3.81Å; V232-Y263 HydrophobicContact CG1-CE2 4.44Å; V232-L266 HydrophobicContact CB-CB 4.3Å; V232-L266 HydrophobicContact CG1-CB 3.65Å; V232-L266 HydrophobicContact CG1-CD1 3.92Å; V232-L266 HydrophobicContact CG1-CG 4.46Å; V232-L266 HydrophobicContact CG2-CB 3.83Å
233Q58.1Low65.4Low118 Ų11873.1 Ų73.155%0.55140%0.395SS*.SBendtrans-75.4-19.3-173.8-76.6-171.821.300113.6S270Q233-S270 VanDerWaalsContact CD-OG 3.23Å; Q233-S270 WeakPolarHBondContact CG-OG 3.31Å; Q233-S270 PolarHBondContact NE2-OG 2.84Å
234C60.8Low65.5Low60 Ų6075 Ų7541%0.40541%0.406SS..  trans-155.276.9178.4-60.80000109.7V232 N236 L245V232-C234 VanDerWaalsContact C-N 3.33Å; V232-C234 PolarHBondContact O-N 3.36Å; C234-N236 VanDerWaalsContact C-N 3.3Å; C234-N236 PolarHBondContact O-N 3.02Å; C234-N236 PolarHBondContact O-OD1 3.04Å; C234-L245 HydrophobicContact CB-CD2 3.7Å
235L67.9Low65.2Low10 Ų1076.1 Ų76.15%0.05242%0.416CS..  trans-69.992.6171-77.3172.5000108.3Q226 I227 A246 V251 Y263Q226-L235 HydrophobicContact CB-CD2 3.32Å; Q226-L235 HydrophobicContact CG-CD2 4.12Å; I227-L235 HydrophobicContact CG1-CD1 4.26Å; L235-A246 HydrophobicContact CB-CB 4.01Å; L235-A246 VanDerWaalsContact O-CB 3.3Å; L235-A246 WeakPolarHBondContact O-CB 3.45Å; L235-A246 PolarHBondContact O-N 2.97Å; L235-V251 HydrophobicContact CD1-CB 4.41Å; L235-V251 HydrophobicContact CD1-CG1 3.96Å; L235-V251 HydrophobicContact CD1-CG2 3.47Å; L235-V251 VanDerWaalsContact CD1-CG2 3.47Å; L235-Y263 HydrophobicContact CD1-CD2 3.68Å; L235-Y263 HydrophobicContact CD1-CE2 3.45Å; L235-Y263 VanDerWaalsContact CD1-CE2 3.45Å; L235-Y263 HydrophobicContact CG-CE2 4.32Å
236N66.1Low65.2Low79 Ų7975.1 Ų75.142%0.42241%0.414SS..BIsolated β-bridgetrans-77.2149.7-179.6-66-17.2000110.5C234 L245C234-N236 VanDerWaalsContact C-N 3.3Å; C234-N236 PolarHBondContact O-N 3.02Å; C234-N236 PolarHBondContact O-OD1 3.04Å; N236-L245 WeakPolarHBondContact OD1-CD2 3.48Å
237C63.1Low65.4Low30 Ų3075.2 Ų75.220%0.20342%0.418CS..  trans-54.2133.2169-176.70000110.4E239 C242 S244C237-E239 PolarHBondContact O-N 2.92Å; C237-C242 HydrophobicContact CB-CB 3.86Å; C237-S244 WeakPolarHBondContact CB-OG 3.36Å; C237-S244 PolarHBondContact N-O 3.11Å; C237-S244 VanDerWaalsContact N-O 3.08Å
238P64.7Low65.4Low59 Ų5978 Ų7838%0.38344%0.437SS..SBendtrans-71.8-6.7-179.927-33.1000113.8R219 D222R219-P238 HydrophobicContact CB-CG 4.35Å; R219-P238 HydrophobicContact CG-CG 3.73Å; D222-P238 HydrophobicContact CB-CB 4.14Å; D222-P238 WeakPolarHBondContact OD2-CB 3.49Å
239E64.9Low65.5Low114 Ų11473.3 Ų73.353%0.53343%0.428SS..SBendtrans-70.8128.4177.1-169.571.3-133.500110.9C237 E241 C242C237-E239 PolarHBondContact O-N 2.92Å; E239-E241 PolarHBondContact O-N 2.91Å; E239-C242 HydrophobicContact CB-CB 3.89Å; E239-C242 WeakPolarHBondContact O-CB 3.37Å; E239-C242 PolarHBondContact O-N 3.22Å; E239-C242 VanDerWaalsContact O-N 3.11Å
240P51.8Low65.5Low101 Ų10169.5 Ų69.566%0.65641%0.407SS*.THydrogen-bonded Turntrans-57.2134.9174.922.7-32.7000110.9C242P240-C242 VanDerWaalsContact C-N 3.26Å; P240-C242 PolarHBondContact O-N 3.21Å
241E60.3Low66.1Low201 Ų20167.8 Ų67.894%0.93939%0.388SS*.THydrogen-bonded Turntrans74.6-2-176.4-48.4-176169.100116.1E239E239-E241 PolarHBondContact O-N 2.91Å
242C60.8Low66.6Low48 Ų4870.4 Ų70.432%0.32440%0.396SS..  trans-84.2122.9173.5-162.70000110.9C237 E239 P240 S244C237-C242 HydrophobicContact CB-CB 3.86Å; E239-C242 HydrophobicContact CB-CB 3.89Å; E239-C242 WeakPolarHBondContact O-CB 3.37Å; E239-C242 PolarHBondContact O-N 3.22Å; E239-C242 VanDerWaalsContact O-N 3.11Å; P240-C242 VanDerWaalsContact C-N 3.26Å; P240-C242 PolarHBondContact O-N 3.21Å; C242-S244 PolarHBondContact SG-OG 3.48Å
243T60.3Low66.7Low132 Ų13274.4 Ų74.481%0.8141%0.414SS*.  trans-102.611.4177.745.40000112.7
244S65.4Low67.5Low52 Ų5270.5 Ų70.536%0.36440%0.397SS..PPolyproline II helixtrans-69.6140.2178.664.70000111C237 C242C237-S244 WeakPolarHBondContact CB-OG 3.36Å; C237-S244 PolarHBondContact N-O 3.11Å; C237-S244 VanDerWaalsContact N-O 3.08Å; C242-S244 PolarHBondContact SG-OG 3.48Å
245L66.7Low68.4Low103 Ų10368.2 Ų68.254%0.53938%0.381SS..BIsolated β-bridgetrans-97.8128.9176.8-66.8168.1000108.4C234 N236 T247C234-L245 HydrophobicContact CB-CD2 3.7Å; N236-L245 WeakPolarHBondContact OD1-CD2 3.48Å; L245-T247 PolarHBondContact O-N 3.33Å
246A69.4Low69Low27 Ų2770.7 Ų70.722%0.22339%0.394CS..PPolyproline II helixtrans-69.1127.4175.100000110.2L235 Q250 V251L235-A246 HydrophobicContact CB-CB 4.01Å; L235-A246 VanDerWaalsContact O-CB 3.3Å; L235-A246 WeakPolarHBondContact O-CB 3.45Å; L235-A246 PolarHBondContact O-N 2.97Å; A246-Q250 VanDerWaalsContact CA-OE1 3.29Å; A246-V251 HydrophobicContact CB-CG2 3.95Å
247T72.2Confident69.8Low47 Ų4775.3 Ų75.329%0.28841%0.413SS..PPolyproline II helixtrans-72.7155.7172.870.60000110.4D20 L245 S249 Q250 V251D20-T247 PolarHBondContact OD2-OG1 3.03Å; L245-T247 PolarHBondContact O-N 3.33Å; T247-S249 PolarHBondContact O-N 2.85Å; T247-S249 VanDerWaalsContact O-N 3.15Å; T247-Q250 PolarHBondContact O-N 3.38Å; T247-Q250 VanDerWaalsContact O-N 3.08Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.35Å; T247-Q250 PolarHBondContact OG1-N 3.06Å; T247-Q250 PolarHBondContact OG1-OE1 2.83Å; T247-V251 WeakPolarHBondContact O-CG2 3.44Å; T247-V251 PolarHBondContact O-N 3.21Å
248P77.5Confident70.8Confident63 Ų6381.8 Ų81.841%0.40944%0.44SS..Hα-helixtrans-53.6-34.7174.7-28.536.1000113.3V251 K252 F260 Y263 L267P248-V251 PolarHBondContact O-N 3.02Å; P248-K252 WeakPolarHBondContact O-CB 3.34Å; P248-K252 PolarHBondContact O-N 2.94Å; P248-F260 VanDerWaalsContact O-CE2 3.23Å; P248-F260 WeakPolarHBondContact O-CE2 3.32Å; P248-Y263 HydrophobicContact CB-CE1 4.11Å; P248-Y263 HydrophobicContact CG-CE1 4.47Å; P248-L267 HydrophobicContact CG-CD2 4.37Å
249S71.4Confident71.7Confident61 Ų6180.2 Ų80.243%0.42743%0.431SS..Hα-helixtrans-64.2-46.6176.3-570000112.1T247 V251 K252 Q253T247-S249 PolarHBondContact O-N 2.85Å; T247-S249 VanDerWaalsContact O-N 3.15Å; S249-V251 VanDerWaalsContact C-N 3.34Å; S249-V251 PolarHBondContact O-N 3.37Å; S249-K252 WeakPolarHBondContact O-CB 3.47Å; S249-K252 PolarHBondContact O-N 2.97Å; S249-Q253 PolarHBondContact O-N 2.92Å; S249-Q253 VanDerWaalsContact O-N 3.14Å
250Q72.5Confident72.6Confident30 Ų3076.5 Ų76.514%0.1441%0.413CS..Hα-helixtrans-62.4-41.5175.9-70.4168.9-30.100111.4E22 A246 T247 K252 Q253 L254E22-Q250 PolarHBondContact OE1-NE2 3.45Å; E22-Q250 PolarHBondContact OE2-NE2 3.23Å; A246-Q250 VanDerWaalsContact CA-OE1 3.29Å; T247-Q250 PolarHBondContact O-N 3.38Å; T247-Q250 VanDerWaalsContact O-N 3.08Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.35Å; T247-Q250 PolarHBondContact OG1-N 3.06Å; T247-Q250 PolarHBondContact OG1-OE1 2.83Å; Q250-K252 VanDerWaalsContact C-N 3.32Å; Q250-K252 PolarHBondContact O-N 2.72Å; Q250-Q253 PolarHBondContact O-N 3.03Å; Q250-L254 WeakPolarHBondContact O-CB 3.43Å; Q250-L254 VanDerWaalsContact O-CG 3.24Å; Q250-L254 WeakPolarHBondContact O-CG 3.11Å; Q250-L254 PolarHBondContact O-N 3.49Å; Q250-L254 VanDerWaalsContact O-N 3.1Å
251V76.9Confident74.2Confident4 Ų473.9 Ų73.92%0.02440%0.4CS..Hα-helixtrans-61.5-43.4176.3-178.60000110.5I227 L235 A246 T247 P248 S249 Q253 L254 V255 F260 Y263I227-V251 HydrophobicContact CD1-CG1 3.96Å; L235-V251 HydrophobicContact CD1-CB 4.41Å; L235-V251 HydrophobicContact CD1-CG1 3.96Å; L235-V251 HydrophobicContact CD1-CG2 3.47Å; L235-V251 VanDerWaalsContact CD1-CG2 3.47Å; A246-V251 HydrophobicContact CB-CG2 3.95Å; T247-V251 WeakPolarHBondContact O-CG2 3.44Å; T247-V251 PolarHBondContact O-N 3.21Å; P248-V251 PolarHBondContact O-N 3.02Å; S249-V251 VanDerWaalsContact C-N 3.34Å; S249-V251 PolarHBondContact O-N 3.37Å; V251-Q253 VanDerWaalsContact C-N 3.28Å; V251-Q253 PolarHBondContact O-N 3.14Å; V251-L254 PolarHBondContact O-N 3.1Å; V251-L254 VanDerWaalsContact O-N 3.12Å; V251-V255 HydrophobicContact CG1-CG2 4.14Å; V251-V255 WeakPolarHBondContact O-CG2 3.5Å; V251-V255 PolarHBondContact O-N 2.91Å; V251-F260 HydrophobicContact CB-CD2 4.5Å; V251-F260 HydrophobicContact CG1-CD2 4.19Å; V251-Y263 HydrophobicContact CB-CD1 4.41Å; V251-Y263 HydrophobicContact CB-CE1 4.23Å; V251-Y263 HydrophobicContact CG1-CD1 3.94Å; V251-Y263 HydrophobicContact CG1-CD2 4.3Å; V251-Y263 HydrophobicContact CG1-CE1 4.21Å; V251-Y263 HydrophobicContact CG1-CG 3.97Å; V251-Y263 HydrophobicContact CG2-CE1 4.37Å; V251-Y263 HydrophobicContact CG2-CE2 4.45Å
252K79.3Confident75.3Confident133 Ų13370 Ų7058%0.57838%0.377SS*.Hα-helixtrans-59.4-36177.3-167-179.3178.5-170.90113.1P248 S249 Q250 F260P248-K252 WeakPolarHBondContact O-CB 3.34Å; P248-K252 PolarHBondContact O-N 2.94Å; S249-K252 WeakPolarHBondContact O-CB 3.47Å; S249-K252 PolarHBondContact O-N 2.97Å; Q250-K252 VanDerWaalsContact C-N 3.32Å; Q250-K252 PolarHBondContact O-N 2.72Å; K252-F260 VanDerWaalsContact CA-CD2 3.47Å; K252-F260 HydrophobicContact CB-CD1 4.38Å; K252-F260 HydrophobicContact CB-CD2 3.67Å; K252-F260 HydrophobicContact CB-CE1 4.27Å; K252-F260 HydrophobicContact CB-CE2 3.56Å; K252-F260 HydrophobicContact CB-CG 4.1Å; K252-F260 HydrophobicContact CB-CZ 3.87Å; K252-F260 HydrophobicContact CD-CD1 4.33Å; K252-F260 HydrophobicContact CD-CE1 3.98Å; K252-F260 HydrophobicContact CD-CZ 4.18Å; K252-F260 HydrophobicContact CG-CD1 3.94Å; K252-F260 HydrophobicContact CG-CD2 4.09Å; K252-F260 HydrophobicContact CG-CE1 3.99Å; K252-F260 HydrophobicContact CG-CE2 4.16Å; K252-F260 HydrophobicContact CG-CG 3.99Å; K252-F260 HydrophobicContact CG-CZ 4.1Å
253Q71.7Confident76.5Confident90 Ų9068.1 Ų68.142%0.42136%0.363SS..Hα-helixtrans-75.2-28.7177.3-67.3-177.68.400112.7E23 S249 Q250 V251E23-Q253 PolarHBondContact OE1-NE2 3.48Å; S249-Q253 PolarHBondContact O-N 2.92Å; S249-Q253 VanDerWaalsContact O-N 3.14Å; Q250-Q253 PolarHBondContact O-N 3.03Å; V251-Q253 VanDerWaalsContact C-N 3.28Å; V251-Q253 PolarHBondContact O-N 3.14Å
254L74.9Confident77.7Confident37 Ų3766 Ų6619%0.19435%0.346CS..Hα-helixtrans-87.3-29.1-175.9-71.1171.1000113.5R219 A220 Q250 V251R219-L254 HydrophobicContact CB-CD1 4.48Å; R219-L254 HydrophobicContact CB-CD2 4.05Å; A220-L254 HydrophobicContact CB-CB 4.44Å; A220-L254 WeakPolarHBondContact CB-O 3.42Å; Q250-L254 WeakPolarHBondContact O-CB 3.43Å; Q250-L254 VanDerWaalsContact O-CG 3.24Å; Q250-L254 WeakPolarHBondContact O-CG 3.11Å; Q250-L254 PolarHBondContact O-N 3.49Å; Q250-L254 VanDerWaalsContact O-N 3.1Å; V251-L254 PolarHBondContact O-N 3.1Å; V251-L254 VanDerWaalsContact O-N 3.12Å
255V79.4Confident78.6Confident12 Ų1271.3 Ų71.37%0.07336%0.359CS..SBendtrans-116.6157.3-175.4-48.70000112.4K224 I227 V251 F260K224-V255 HydrophobicContact CG-CB 4.13Å; K224-V255 HydrophobicContact CG-CG1 3.78Å; I227-V255 HydrophobicContact CD1-CG1 3.98Å; I227-V255 HydrophobicContact CD1-CG2 4.16Å; V251-V255 HydrophobicContact CG1-CG2 4.14Å; V251-V255 WeakPolarHBondContact O-CG2 3.5Å; V251-V255 PolarHBondContact O-N 2.91Å; V255-F260 HydrophobicContact CG2-CB 3.79Å
256D80.4Confident79.3Confident61 Ų6168.3 Ų68.333%0.32634%0.343SS..  trans-65.8161.3173.651.8-89.6000112.1K224 E258 S259 F260K224-D256 WeakPolarHBondContact CE-OD1 3.21Å; K224-D256 IonicContact NZ-OD1 2.92Å; K224-D256 PolarHBondContact NZ-OD1 2.84Å; D256-E258 VanDerWaalsContact C-N 3.25Å; D256-E258 PolarHBondContact O-N 3.22Å; D256-S259 VanDerWaalsContact CG-OG 3.29Å; D256-S259 PolarHBondContact O-N 2.95Å; D256-S259 VanDerWaalsContact O-N 3.13Å; D256-S259 PolarHBondContact OD1-OG 2.8Å; D256-S259 VanDerWaalsContact OD1-OG 3.13Å; D256-S259 WeakPolarHBondContact OD2-CB 3.31Å; D256-S259 PolarHBondContact OD2-N 3.38Å; D256-S259 PolarHBondContact OD2-OG 3.07Å; D256-F260 PolarHBondContact O-N 3.46Å
257E82.2Confident80Confident177 Ų17769.1 Ų69.183%0.82734%0.343SS*.Hα-helixtrans-57-35.5-175.9-166.5174.7-169.600113.2A261E257-A261 VanDerWaalsContact O-CB 3.29Å; E257-A261 WeakPolarHBondContact O-CB 3.4Å; E257-A261 PolarHBondContact O-N 2.94Å
258E85.1Confident80.5Confident165 Ų16571.8 Ų71.877%0.77136%0.355SS*.Hα-helixtrans-68.2-46.7177.5-174.6-179.1-179.100111.6D256 F260 A261 R262D256-E258 VanDerWaalsContact C-N 3.25Å; D256-E258 PolarHBondContact O-N 3.22Å; E258-F260 VanDerWaalsContact C-N 3.34Å; E258-A261 PolarHBondContact O-N 3.43Å; E258-R262 PolarHBondContact O-N 3.25Å
259S82.2Confident80.6Confident26 Ų2673.1 Ų73.118%0.18236%0.356CS..Hα-helixtrans-63.9-40.4176.7-61.20000111.5D256 R262 Y263D256-S259 VanDerWaalsContact CG-OG 3.29Å; D256-S259 PolarHBondContact O-N 2.95Å; D256-S259 VanDerWaalsContact O-N 3.13Å; D256-S259 PolarHBondContact OD1-OG 2.8Å; D256-S259 VanDerWaalsContact OD1-OG 3.13Å; D256-S259 WeakPolarHBondContact OD2-CB 3.31Å; D256-S259 PolarHBondContact OD2-N 3.38Å; D256-S259 PolarHBondContact OD2-OG 3.07Å; S259-R262 WeakPolarHBondContact O-CB 3.31Å; S259-R262 PolarHBondContact O-N 3Å; S259-Y263 PolarHBondContact O-N 3.44Å
260F85.1Confident81Confident37 Ų3770.9 Ų70.916%0.16234%0.34CS..Hα-helixtrans-66.1-43.8176.4-176.4-105.6000111.7P248 V251 K252 V255 D256 E258 R262 Y263 D264P248-F260 VanDerWaalsContact O-CE2 3.23Å; P248-F260 WeakPolarHBondContact O-CE2 3.32Å; V251-F260 HydrophobicContact CB-CD2 4.5Å; V251-F260 HydrophobicContact CG1-CD2 4.19Å; K252-F260 VanDerWaalsContact CA-CD2 3.47Å; K252-F260 HydrophobicContact CB-CD1 4.38Å; K252-F260 HydrophobicContact CB-CD2 3.67Å; K252-F260 HydrophobicContact CB-CE1 4.27Å; K252-F260 HydrophobicContact CB-CE2 3.56Å; K252-F260 HydrophobicContact CB-CG 4.1Å; K252-F260 HydrophobicContact CB-CZ 3.87Å; K252-F260 HydrophobicContact CD-CD1 4.33Å; K252-F260 HydrophobicContact CD-CE1 3.98Å; K252-F260 HydrophobicContact CD-CZ 4.18Å; K252-F260 HydrophobicContact CG-CD1 3.94Å; K252-F260 HydrophobicContact CG-CD2 4.09Å; K252-F260 HydrophobicContact CG-CE1 3.99Å; K252-F260 HydrophobicContact CG-CE2 4.16Å; K252-F260 HydrophobicContact CG-CG 3.99Å; K252-F260 HydrophobicContact CG-CZ 4.1Å; V255-F260 HydrophobicContact CG2-CB 3.79Å; D256-F260 PolarHBondContact O-N 3.46Å; E258-F260 VanDerWaalsContact C-N 3.34Å; F260-R262 PolarHBondContact O-N 2.99Å; F260-Y263 AromaticContact CD2-CD1 3.96Å; F260-Y263 HydrophobicContact CD2-CD1 3.96Å; F260-Y263 AromaticContact CE2-CD1 3.77Å; F260-Y263 HydrophobicContact CE2-CD1 3.77Å; F260-Y263 HydrophobicContact CE2-CE1 4.11Å; F260-Y263 WeakPolarHBondContact O-CB 3.37Å; F260-Y263 PolarHBondContact O-N 3.17Å; F260-Y263 VanDerWaalsContact O-N 3.08Å; F260-D264 WeakPolarHBondContact O-CB 3.44Å; F260-D264 PolarHBondContact O-N 2.82Å
261A83.8Confident81.3Confident46 Ų4672 Ų7238%0.3835%0.351SS..Hα-helixtrans-61.1-33.4175.900000112.2E257 E258 R265E257-A261 VanDerWaalsContact O-CB 3.29Å; E257-A261 WeakPolarHBondContact O-CB 3.4Å; E257-A261 PolarHBondContact O-N 2.94Å; E258-A261 PolarHBondContact O-N 3.43Å; A261-R265 WeakPolarHBondContact O-CB 3Å; A261-R265 PolarHBondContact O-N 3.27Å
262R84.8Confident81.5Confident119 Ų11973.6 Ų73.645%0.44936%0.359SS..Hα-helixtrans-68.5-46.2171.7-176.1-178.9175.996.4-0.5111.5I227 E258 S259 F260 R265 L266I227-R262 HydrophobicContact CG2-CB 4.26Å; I227-R262 HydrophobicContact CG2-CG 4.14Å; E258-R262 PolarHBondContact O-N 3.25Å; S259-R262 WeakPolarHBondContact O-CB 3.31Å; S259-R262 PolarHBondContact O-N 3Å; F260-R262 PolarHBondContact O-N 2.99Å; R262-R265 PolarHBondContact O-N 3.27Å; R262-L266 HydrophobicContact CG-CD1 3.93Å; R262-L266 HydrophobicContact CG-CG 4.44Å; R262-L266 WeakPolarHBondContact O-CB 3.33Å; R262-L266 VanDerWaalsContact O-CG 3.29Å; R262-L266 WeakPolarHBondContact O-CG 3.36Å; R262-L266 PolarHBondContact O-N 3.49Å
263Y84.9Confident81.1Confident9 Ų970.1 Ų70.14%0.03535%0.347CS..Hα-helixtrans-56.3-51.8175.5165.3-100.5000111.6I227 V232 L235 P248 V251 S259 F260 R265 L266 L267I227-Y263 HydrophobicContact CD1-CG 4.46Å; I227-Y263 HydrophobicContact CG1-CD2 4.21Å; I227-Y263 HydrophobicContact CG1-CG 4.49Å; V232-Y263 HydrophobicContact CB-CD2 3.95Å; V232-Y263 HydrophobicContact CB-CE2 4.08Å; V232-Y263 HydrophobicContact CG1-CD2 3.81Å; V232-Y263 HydrophobicContact CG1-CE2 4.44Å; L235-Y263 HydrophobicContact CD1-CD2 3.68Å; L235-Y263 HydrophobicContact CD1-CE2 3.45Å; L235-Y263 VanDerWaalsContact CD1-CE2 3.45Å; L235-Y263 HydrophobicContact CG-CE2 4.32Å; P248-Y263 HydrophobicContact CB-CE1 4.11Å; P248-Y263 HydrophobicContact CG-CE1 4.47Å; V251-Y263 HydrophobicContact CB-CD1 4.41Å; V251-Y263 HydrophobicContact CB-CE1 4.23Å; V251-Y263 HydrophobicContact CG1-CD1 3.94Å; V251-Y263 HydrophobicContact CG1-CD2 4.3Å; V251-Y263 HydrophobicContact CG1-CE1 4.21Å; V251-Y263 HydrophobicContact CG1-CG 3.97Å; V251-Y263 HydrophobicContact CG2-CE1 4.37Å; V251-Y263 HydrophobicContact CG2-CE2 4.45Å; S259-Y263 PolarHBondContact O-N 3.44Å; F260-Y263 AromaticContact CD2-CD1 3.96Å; F260-Y263 HydrophobicContact CD2-CD1 3.96Å; F260-Y263 AromaticContact CE2-CD1 3.77Å; F260-Y263 HydrophobicContact CE2-CD1 3.77Å; F260-Y263 HydrophobicContact CE2-CE1 4.11Å; F260-Y263 WeakPolarHBondContact O-CB 3.37Å; F260-Y263 PolarHBondContact O-N 3.17Å; F260-Y263 VanDerWaalsContact O-N 3.08Å; Y263-R265 PolarHBondContact O-N 3.26Å; Y263-L266 PolarHBondContact O-N 3.48Å; Y263-L266 VanDerWaalsContact O-N 3.17Å; Y263-L267 HydrophobicContact CE1-CD2 4.14Å; Y263-L267 WeakPolarHBondContact O-CB 3.48Å; Y263-L267 PolarHBondContact O-N 3.36Å
264D85.5Confident81.1Confident86 Ų8671.1 Ų71.146%0.4636%0.355SS..Hα-helixtrans-59.4-45.1-178.8-175.951.3000111.8F260 L266 L267 L268F260-D264 WeakPolarHBondContact O-CB 3.44Å; F260-D264 PolarHBondContact O-N 2.82Å; D264-L266 PolarHBondContact O-N 2.97Å; D264-L267 PolarHBondContact O-N 2.95Å; D264-L268 WeakPolarHBondContact O-CB 3.37Å; D264-L268 PolarHBondContact O-N 3.41Å
265R84.3Confident81.2Confident165 Ų16573.4 Ų73.462%0.62337%0.366SS*.Hα-helixtrans-60.4-46.5175.1-175.2-174.1-57.9149.67.1112.4A261 R262 Y263 Q269A261-R265 WeakPolarHBondContact O-CB 3Å; A261-R265 PolarHBondContact O-N 3.27Å; R262-R265 PolarHBondContact O-N 3.27Å; Y263-R265 PolarHBondContact O-N 3.26Å; R265-Q269 VanDerWaalsContact O-CB 3.31Å; R265-Q269 WeakPolarHBondContact O-CB 3.3Å; R265-Q269 PolarHBondContact O-N 3.22Å
266L81.4Confident80.7Confident40 Ų4074 Ų7421%0.20937%0.372CS..Hα-helixtrans-68-39-178.9-74.9173.7000111.1V232 R262 Y263 D264 Q269 S270V232-L266 HydrophobicContact CB-CB 4.3Å; V232-L266 HydrophobicContact CG1-CB 3.65Å; V232-L266 HydrophobicContact CG1-CD1 3.92Å; V232-L266 HydrophobicContact CG1-CG 4.46Å; V232-L266 HydrophobicContact CG2-CB 3.83Å; R262-L266 HydrophobicContact CG-CD1 3.93Å; R262-L266 HydrophobicContact CG-CG 4.44Å; R262-L266 WeakPolarHBondContact O-CB 3.33Å; R262-L266 VanDerWaalsContact O-CG 3.29Å; R262-L266 WeakPolarHBondContact O-CG 3.36Å; R262-L266 PolarHBondContact O-N 3.49Å; Y263-L266 PolarHBondContact O-N 3.48Å; Y263-L266 VanDerWaalsContact O-N 3.17Å; D264-L266 PolarHBondContact O-N 2.97Å; L266-Q269 PolarHBondContact O-N 3.34Å; L266-S270 WeakPolarHBondContact O-CB 3.45Å; L266-S270 PolarHBondContact O-N 3.21Å
267L84.3Confident80.6Confident44 Ų4474.8 Ų74.823%0.2338%0.376CS..Hα-helixtrans-61.8-50.2176.8-176.767.4000110P248 Y263 D264 Q269 S270 S271P248-L267 HydrophobicContact CG-CD2 4.37Å; Y263-L267 HydrophobicContact CE1-CD2 4.14Å; Y263-L267 WeakPolarHBondContact O-CB 3.48Å; Y263-L267 PolarHBondContact O-N 3.36Å; D264-L267 PolarHBondContact O-N 2.95Å; L267-Q269 PolarHBondContact O-N 3.05Å; L267-S270 WeakPolarHBondContact O-CB 3.44Å; L267-S270 PolarHBondContact O-N 3.27Å; L267-S271 WeakPolarHBondContact O-CB 3.34Å; L267-S271 PolarHBondContact O-N 2.91Å; L267-S271 PolarHBondContact O-OG 3.27Å; L267-S271 VanDerWaalsContact O-OG 3.06Å
268L84.1Confident80.6Confident102 Ų10266.5 Ų66.553%0.53434%0.337SS..Hα-helixtrans-58.5-48.9175.9177.261.9000111.8D264 S270 S271 L272D264-L268 WeakPolarHBondContact O-CB 3.37Å; D264-L268 PolarHBondContact O-N 3.41Å; L268-S270 VanDerWaalsContact C-N 3.33Å; L268-S270 PolarHBondContact O-N 3.08Å; L268-S271 PolarHBondContact O-N 3.22Å; L268-L272 HydrophobicContact CD1-CD1 3.91Å; L268-L272 HydrophobicContact CD1-CG 4.08Å; L268-L272 HydrophobicContact CG-CD1 3.89Å; L268-L272 HydrophobicContact CG-CG 4.44Å; L268-L272 WeakPolarHBondContact O-CB 3.41Å; L268-L272 VanDerWaalsContact O-CG 3.25Å; L268-L272 WeakPolarHBondContact O-CG 3.41Å; L268-L272 PolarHBondContact O-N 3.26Å
269Q78.6Confident80.6Confident91 Ų9158.9 Ų58.943%0.42530%0.302SS..Hα-helixtrans-59.5-46.6179.5-177.8175.7-12.700111.3R265 L266 L267 S271 L272 D273 Y280R265-Q269 VanDerWaalsContact O-CB 3.31Å; R265-Q269 WeakPolarHBondContact O-CB 3.3Å; R265-Q269 PolarHBondContact O-N 3.22Å; L266-Q269 PolarHBondContact O-N 3.34Å; L267-Q269 PolarHBondContact O-N 3.05Å; Q269-S271 PolarHBondContact O-N 3.03Å; Q269-L272 PolarHBondContact O-N 3.44Å; Q269-D273 WeakPolarHBondContact O-CB 3.3Å; Q269-D273 PolarHBondContact O-N 2.75Å; Q269-Y280 PolarHBondContact O-OH 3.34Å
270S79.4Confident80.8Confident15 Ų1560.7 Ų60.711%0.10531%0.305CS..Hα-helixtrans-58.4-45.9175.5157.50000112.4Q233 L266 L267 L268 L272 D273 L274Q233-S270 VanDerWaalsContact CD-OG 3.23Å; Q233-S270 WeakPolarHBondContact CG-OG 3.31Å; Q233-S270 PolarHBondContact NE2-OG 2.84Å; L266-S270 WeakPolarHBondContact O-CB 3.45Å; L266-S270 PolarHBondContact O-N 3.21Å; L267-S270 WeakPolarHBondContact O-CB 3.44Å; L267-S270 PolarHBondContact O-N 3.27Å; L268-S270 VanDerWaalsContact C-N 3.33Å; L268-S270 PolarHBondContact O-N 3.08Å; S270-L272 VanDerWaalsContact C-N 3.34Å; S270-L272 PolarHBondContact O-N 3.06Å; S270-D273 PolarHBondContact O-N 2.85Å; S270-L274 WeakPolarHBondContact O-CG 3.45Å; S270-L274 PolarHBondContact O-N 3.49Å
271S79.5Confident81.1Confident52 Ų5259.1 Ų59.136%0.36430%0.299SS..Hα-helixtrans-63.4-40177.1-640000112.2L267 L268 Q269 L274 M275L267-S271 WeakPolarHBondContact O-CB 3.34Å; L267-S271 PolarHBondContact O-N 2.91Å; L267-S271 PolarHBondContact O-OG 3.27Å; L267-S271 VanDerWaalsContact O-OG 3.06Å; L268-S271 PolarHBondContact O-N 3.22Å; Q269-S271 PolarHBondContact O-N 3.03Å; S271-L274 PolarHBondContact O-N 3.5Å; S271-M275 WeakPolarHBondContact O-CG 3.43Å
272L80.2Confident81.2Confident38 Ų3858.8 Ų58.820%0.19929%0.293CS..Hα-helixtrans-69.4-36.1176.6-70.6172.5000112.3L268 Q269 S270 L274 M275 V278 A289L268-L272 HydrophobicContact CD1-CD1 3.91Å; L268-L272 HydrophobicContact CD1-CG 4.08Å; L268-L272 HydrophobicContact CG-CD1 3.89Å; L268-L272 HydrophobicContact CG-CG 4.44Å; L268-L272 WeakPolarHBondContact O-CB 3.41Å; L268-L272 VanDerWaalsContact O-CG 3.25Å; L268-L272 WeakPolarHBondContact O-CG 3.41Å; L268-L272 PolarHBondContact O-N 3.26Å; Q269-L272 PolarHBondContact O-N 3.44Å; S270-L272 VanDerWaalsContact C-N 3.34Å; S270-L272 PolarHBondContact O-N 3.06Å; L272-L274 PolarHBondContact O-N 3.47Å; L272-M275 HydrophobicContact CD2-SD 4.15Å; L272-M275 WeakPolarHBondContact O-CB 3.17Å; L272-M275 PolarHBondContact O-N 2.58Å; L272-M275 VanDerWaalsContact O-N 3.11Å; L272-V278 HydrophobicContact CB-CG1 4.22Å; L272-V278 HydrophobicContact CD2-CG1 4.42Å; L272-V278 HydrophobicContact CD2-CG2 4.23Å; L272-A289 HydrophobicContact CD1-CB 3.86Å
273D72.5Confident81.4Confident60 Ų6058.8 Ų58.832%0.32129%0.293SS..Hα-helixtrans-64.5-28.3178-75.4-19000113Q269 S270 M275 Y280Q269-D273 WeakPolarHBondContact O-CB 3.3Å; Q269-D273 PolarHBondContact O-N 2.75Å; S270-D273 PolarHBondContact O-N 2.85Å; D273-M275 VanDerWaalsContact C-N 3.32Å; D273-Y280 WeakPolarHBondContact OD1-CE2 3.25Å; D273-Y280 PolarHBondContact OD1-OH 2.87Å
274L70.9Confident81.5Confident112 Ų11268.1 Ų68.159%0.58634%0.337SS*.THydrogen-bonded Turntrans-76-19.7175.8-69.4167.9000113S270 S271 L272S270-L274 WeakPolarHBondContact O-CG 3.45Å; S270-L274 PolarHBondContact O-N 3.49Å; S271-L274 PolarHBondContact O-N 3.5Å; L272-L274 PolarHBondContact O-N 3.47Å
275M77.7Confident81.7Confident85 Ų8569.6 Ų69.642%0.41935%0.354SS..  trans-81.3125.4-179.3-64178.8-173.100110.4S271 L272 D273 D277 V278S271-M275 WeakPolarHBondContact O-CG 3.43Å; L272-M275 HydrophobicContact CD2-SD 4.15Å; L272-M275 WeakPolarHBondContact O-CB 3.17Å; L272-M275 PolarHBondContact O-N 2.58Å; L272-M275 VanDerWaalsContact O-N 3.11Å; D273-M275 VanDerWaalsContact C-N 3.32Å; M275-D277 VanDerWaalsContact C-N 3.3Å; M275-D277 PolarHBondContact O-N 2.87Å; M275-V278 HydrophobicContact CB-CB 4.14Å; M275-V278 HydrophobicContact CB-CG2 3.63Å; M275-V278 HydrophobicContact CG-CG2 4.46Å; M275-V278 PolarHBondContact O-N 2.68Å; M275-V278 HydrophobicContact SD-CG2 4.09Å
276A67.6Low82Confident25 Ų2563.3 Ų63.321%0.20733%0.334CS..THydrogen-bonded Turntrans-71.9-24.5-175.800000113.6V278 Q349A276-V278 VanDerWaalsContact C-N 3.34Å; A276-Q349 HydrophobicContact CB-CB 3.68Å
277D78.7Confident82Confident77 Ų7763.3 Ų63.341%0.41235%0.345SS..THydrogen-bonded Turntrans-88.31.5179.459.9-29.1000113.4M275 M291 V292M275-D277 VanDerWaalsContact C-N 3.3Å; M275-D277 PolarHBondContact O-N 2.87Å; D277-M291 CarbonylContact O-C 3.56Å; D277-M291 WeakPolarHBondContact O-CA 3.15Å; D277-V292 PolarHBondContact O-N 3.12Å
278V83.3Confident82.2Confident2 Ų263.6 Ų63.61%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-102.8126.8179.5-179.90000111.4L272 M275 A276 A289 M291L272-V278 HydrophobicContact CB-CG1 4.22Å; L272-V278 HydrophobicContact CD2-CG1 4.42Å; L272-V278 HydrophobicContact CD2-CG2 4.23Å; M275-V278 HydrophobicContact CB-CB 4.14Å; M275-V278 HydrophobicContact CB-CG2 3.63Å; M275-V278 HydrophobicContact CG-CG2 4.46Å; M275-V278 PolarHBondContact O-N 2.68Å; M275-V278 HydrophobicContact SD-CG2 4.09Å; A276-V278 VanDerWaalsContact C-N 3.34Å; V278-A289 HydrophobicContact CG1-CB 3.86Å; V278-M291 HydrophobicContact CG2-CG 4.49Å
279V84.2Confident82.4Confident5 Ų560.2 Ų60.23%0.0334%0.335CS..EExtended strand (participates in β ladder)trans-130.5147.6171.4-56.50000110.8V290 V292 F308 T310V279-V290 HydrophobicContact CG2-CB 4.3Å; V279-V290 PolarHBondContact N-O 3.44Å; V279-V290 WeakPolarHBondContact O-CA 3.45Å; V279-V290 WeakPolarHBondContact O-CB 3.1Å; V279-V290 PolarHBondContact O-N 3.39Å; V279-V292 HydrophobicContact CB-CG2 4.38Å; V279-V292 HydrophobicContact CG1-CG2 4.19Å; V279-V292 HydrophobicContact CG2-CG2 3.38Å; V279-F308 HydrophobicContact CG2-CE2 3.87Å; V279-F308 HydrophobicContact CG2-CZ 3.85Å; V279-T310 HydrophobicContact CG2-CG2 4.36Å
280Y87.2Confident82.9Confident64 Ų6456.2 Ų56.225%0.25132%0.317SS..EExtended strand (participates in β ladder)trans-85.6144.4178.6-63.2-83.8000112.7Q269 D273 G287 A289Q269-Y280 PolarHBondContact O-OH 3.34Å; D273-Y280 WeakPolarHBondContact OD1-CE2 3.25Å; D273-Y280 PolarHBondContact OD1-OH 2.87Å; Y280-G287 VanDerWaalsContact CD1-O 3.32Å; Y280-G287 WeakPolarHBondContact CD1-O 3.1Å; Y280-A289 HydrophobicContact CD1-CB 4.23Å; Y280-A289 HydrophobicContact CE1-CB 3.99Å
281C89.6Confident83.1Confident5 Ų562.4 Ų62.43%0.03435%0.346CS..  trans-59.2125.8171.9-175.80000109.9R283 C286 T288 V290 C301C281-R283 PolarHBondContact O-N 3.44Å; C281-C286 HydrophobicContact CB-CB 4.3Å; C281-T288 WeakPolarHBondContact CB-O 3.48Å; C281-T288 PolarHBondContact N-O 3.48Å; C281-V290 HydrophobicContact CB-CG2 4.41Å; C281-C301 HydrophobicContact CB-CB 4.17Å
282P87.7Confident83.2Confident39 Ų3960.9 Ų60.925%0.25333%0.334SS..  trans-77.1-3.9-174.932.7-38.9000114H284 Y306 F308 K313P282-H284 PolarHBondContact O-N 3.43Å; P282-Y306 HydrophobicContact CG-CD1 4.15Å; P282-Y306 HydrophobicContact CG-CE1 3.82Å; P282-F308 HydrophobicContact CG-CB 3.98Å; P282-F308 HydrophobicContact CG-CD1 4.28Å; P282-F308 HydrophobicContact CG-CD2 3.93Å; P282-F308 HydrophobicContact CG-CG 3.81Å; P282-K313 HydrophobicContact CB-CB 3.77Å; P282-K313 WeakPolarHBondContact CB-O 2.99Å; P282-K313 HydrophobicContact CG-CB 4.31Å; P282-K313 WeakPolarHBondContact CG-O 3.43Å
283R88.6Confident83.1Confident118 Ų11866 Ų6645%0.44536%0.357SS..  trans-70.2119.4172-77.8-177.3178.1-109.71.2108.9C281 S285 C286 G287 Y306C281-R283 PolarHBondContact O-N 3.44Å; R283-S285 PolarHBondContact O-N 3.35Å; R283-C286 HydrophobicContact CB-CB 3.85Å; R283-C286 PolarHBondContact O-N 3.14Å; R283-G287 PolarHBondContact O-N 3.38Å; R283-G287 VanDerWaalsContact O-N 3.1Å; R283-Y306 HydrophobicContact CG-CD1 4.04Å; R283-Y306 HydrophobicContact CG-CE1 4.46Å; R283-Y306 HydrophobicContact CG-CG 4.32Å
284H85.9Confident83Confident206 Ų20668.5 Ų68.595%0.95438%0.376SS*.THydrogen-bonded Turntrans-52.3-30.3176-69.8-77.8000113.9P282 C286P282-H284 PolarHBondContact O-N 3.43Å; H284-C286 VanDerWaalsContact C-N 3.34Å
285S89.3Confident82.9Confident116 Ų11670.4 Ų70.481%0.81139%0.387SS*.THydrogen-bonded Turntrans-84.4-4177.965.80000114.4R283R283-S285 PolarHBondContact O-N 3.35Å
286C90.6Very high82.8Confident33 Ų3369 Ų6922%0.22338%0.383CS..THydrogen-bonded Turntrans-119.6-64.6-172.3-171.50000111.6C281 R283 H284 T288 C304C281-C286 HydrophobicContact CB-CB 4.3Å; R283-C286 HydrophobicContact CB-CB 3.85Å; R283-C286 PolarHBondContact O-N 3.14Å; H284-C286 VanDerWaalsContact C-N 3.34Å; C286-T288 PolarHBondContact O-N 2.91Å; C286-T288 PolarHBondContact O-OG1 3.11Å; C286-T288 PolarHBondContact SG-OG1 3.44Å; C286-C304 HydrophobicContact CB-CB 4.45Å
287G83.3Confident83.3Confident41 Ų4169.5 Ų69.542%0.42338%0.384SS..  trans55.414.6179.600000115.7Y280 R283Y280-G287 VanDerWaalsContact CD1-O 3.32Å; Y280-G287 WeakPolarHBondContact CD1-O 3.1Å; R283-G287 PolarHBondContact O-N 3.38Å; R283-G287 VanDerWaalsContact O-N 3.1Å
288T88.4Confident83.7Confident50 Ų5069.3 Ų69.331%0.30738%0.382SS..  trans-70.2138.4-176.7-52.30000110.5C281 C286 A303C281-T288 WeakPolarHBondContact CB-O 3.48Å; C281-T288 PolarHBondContact N-O 3.48Å; C286-T288 PolarHBondContact O-N 2.91Å; C286-T288 PolarHBondContact O-OG1 3.11Å; C286-T288 PolarHBondContact SG-OG1 3.44Å; T288-A303 HydrophobicContact CG2-CB 4.11Å
289A87.5Confident83.9Confident31 Ų3169.3 Ų69.326%0.25638%0.382SS..EExtended strand (participates in β ladder)trans-63134172.300000110.8L272 V278 Y280L272-A289 HydrophobicContact CD1-CB 3.86Å; V278-A289 HydrophobicContact CG1-CB 3.86Å; Y280-A289 HydrophobicContact CD1-CB 4.23Å; Y280-A289 HydrophobicContact CE1-CB 3.99Å
290V88.4Confident84.2Confident6 Ų673.3 Ų73.34%0.03640%0.402CS..EExtended strand (participates in β ladder)trans-125.9123.2-177.6-178.40000107.9V279 C281 I300 C301 F308V279-V290 HydrophobicContact CG2-CB 4.3Å; V279-V290 PolarHBondContact N-O 3.44Å; V279-V290 WeakPolarHBondContact O-CA 3.45Å; V279-V290 WeakPolarHBondContact O-CB 3.1Å; V279-V290 PolarHBondContact O-N 3.39Å; C281-V290 HydrophobicContact CB-CG2 4.41Å; V290-I300 VanDerWaalsContact CG1-O 3.3Å; V290-I300 WeakPolarHBondContact CG1-O 3.33Å; V290-C301 HydrophobicContact CG2-CB 3.96Å; V290-F308 HydrophobicContact CB-CZ 4.25Å; V290-F308 HydrophobicContact CG1-CZ 4.43Å; V290-F308 HydrophobicContact CG2-CE1 4.1Å; V290-F308 HydrophobicContact CG2-CZ 4.12Å
291M84.3Confident84.5Confident145 Ų14570.3 Ų70.371%0.71439%0.39SS*.EExtended strand (participates in β ladder)trans-78.5133.1171.4-54.5-145.5-5200109.5D277 V278D277-M291 CarbonylContact O-C 3.56Å; D277-M291 WeakPolarHBondContact O-CA 3.15Å; V278-M291 HydrophobicContact CG2-CG 4.49Å
292V82Confident84.6Confident20 Ų2074.4 Ų74.412%0.12142%0.419CS..  trans-115.5133.1-176.2-179.60000108.8D277 V279 T310D277-V292 PolarHBondContact O-N 3.12Å; V279-V292 HydrophobicContact CB-CG2 4.38Å; V279-V292 HydrophobicContact CG1-CG2 4.19Å; V279-V292 HydrophobicContact CG2-CG2 3.38Å; V292-T310 HydrophobicContact CG1-CG2 3.88Å; V292-T310 HydrophobicContact CG2-CG2 3.83Å
293E78.5Confident84.8Confident147 Ų14775.7 Ų75.769%0.68743%0.433SS*.  trans-68.1138.5173.9-69.4-169.7166.800111.2T296E293-T296 HydrophobicContact CB-CG2 3.96Å; E293-T296 PolarHBondContact O-N 3.36Å; E293-T296 PolarHBondContact O-OG1 2.9Å
294P69Low85Confident111 Ų11172.3 Ų72.372%0.72143%0.427SS*.THydrogen-bonded Turntrans-55.7144.1176.922.4-31.5000110.9T296P294-T296 PolarHBondContact O-N 2.82Å
295D69.8Low85.3Confident152 Ų15269.2 Ų69.281%0.81341%0.413SS*.THydrogen-bonded Turntrans674-178-57.1-44.5000116.8
296T75.8Confident85.5Confident55 Ų5566.4 Ų66.434%0.33739%0.385SS..  trans-102.1147.1173.876.60000111.8E293 P294E293-T296 HydrophobicContact CB-CG2 3.96Å; E293-T296 PolarHBondContact O-N 3.36Å; E293-T296 PolarHBondContact O-OG1 2.9Å; P294-T296 PolarHBondContact O-N 2.82Å
297T76.7Confident85.6Confident37 Ų3766.7 Ų66.723%0.22739%0.39CS..  trans-101.212.5174.857.50000112.4C309 T310 L311 V355T297-C309 CarbonylContact O-C 3.15Å; T297-C309 VanDerWaalsContact O-CA 3.24Å; T297-C309 WeakPolarHBondContact O-CA 3.3Å; T297-T310 WeakPolarHBondContact CA-OG1 3.47Å; T297-T310 PolarHBondContact O-N 2.87Å; T297-T310 PolarHBondContact O-OG1 2.81Å; T297-L311 HydrophobicContact CG2-CD1 3.83Å; T297-L311 HydrophobicContact CG2-CG 4.29Å; T297-V355 HydrophobicContact CG2-CG2 3.99Å
298M86.8Confident85.9Confident73 Ų7364.8 Ų64.836%0.3637%0.37SS..EExtended strand (participates in β ladder)trans-110.8121.9-173.4-171.617262.800110.1I300 Y316M298-I300 HydrophobicContact CE-CD1 4.21Å; M298-I300 HydrophobicContact CG-CG1 4.34Å; M298-I300 HydrophobicContact SD-CD1 4.45Å; M298-Y316 HydrophobicContact CB-CD2 3.74Å; M298-Y316 HydrophobicContact CB-CE2 3.49Å; M298-Y316 VanDerWaalsContact CB-CE2 3.49Å; M298-Y316 HydrophobicContact CB-CG 4.36Å; M298-Y316 HydrophobicContact CG-CD1 4.15Å; M298-Y316 HydrophobicContact CG-CD2 3.75Å; M298-Y316 HydrophobicContact CG-CE1 4.27Å; M298-Y316 HydrophobicContact CG-CE2 3.91Å; M298-Y316 HydrophobicContact CG-CG 3.87Å; M298-Y316 HydrophobicContact SD-CD1 3.78Å; M298-Y316 HydrophobicContact SD-CD2 4.4Å; M298-Y316 HydrophobicContact SD-CE1 3.67Å; M298-Y316 HydrophobicContact SD-CE2 4.33Å; M298-Y316 HydrophobicContact SD-CG 4.13Å
299G88.3Confident85.8Confident1 Ų162.4 Ų62.41%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-110.2133.4166.700000110A307 F308G299-A307 CarbonylContact O-C 3.56Å; G299-A307 WeakPolarHBondContact O-CA 3.41Å; G299-F308 PolarHBondContact N-O 3.5Å; G299-F308 VanDerWaalsContact O-CD1 3.31Å; G299-F308 WeakPolarHBondContact O-CD1 3.22Å; G299-F308 PolarHBondContact O-N 3.11Å
300I91.6Very high85.4Confident90 Ų9061.2 Ų61.246%0.46235%0.345SS..EExtended strand (participates in β ladder)trans-115.3114.7172.8-57.8176.6000108V290 M298 S302 A307V290-I300 VanDerWaalsContact CG1-O 3.3Å; V290-I300 WeakPolarHBondContact CG1-O 3.33Å; M298-I300 HydrophobicContact CE-CD1 4.21Å; M298-I300 HydrophobicContact CG-CG1 4.34Å; M298-I300 HydrophobicContact SD-CD1 4.45Å; I300-S302 PolarHBondContact O-N 2.95Å; I300-A307 HydrophobicContact CG1-CB 4.3Å
301C92.6Very high84.8Confident0 Ų062.8 Ų62.80%035%0.353CS..  trans-73.2122.1178.6-179.40000111.1C281 V290 A303 Q305 Y306 F308C281-C301 HydrophobicContact CB-CB 4.17Å; V290-C301 HydrophobicContact CG2-CB 3.96Å; C301-A303 VanDerWaalsContact C-N 3.29Å; C301-A303 PolarHBondContact O-N 3.38Å; C301-Q305 WeakPolarHBondContact O-CA 3.34Å; C301-Q305 PolarHBondContact O-N 2.95Å; C301-Y306 PolarHBondContact N-O 2.9Å; C301-F308 HydrophobicContact CB-CE1 4.47Å
302S91Very high84.4Confident91 Ų9157 Ų5764%0.63633%0.327SS*.THydrogen-bonded Turntrans-64.4-29.9177.253.40000113.6I300I300-S302 PolarHBondContact O-N 2.95Å
303A91.8Very high84.3Confident66 Ų6659.4 Ų59.455%0.54534%0.335SS..THydrogen-bonded Turntrans-79.9-47.1-177.300000113.4T288 C301T288-A303 HydrophobicContact CG2-CB 4.11Å; C301-A303 VanDerWaalsContact C-N 3.29Å; C301-A303 PolarHBondContact O-N 3.38Å
304C93.9Very high84.6Confident48 Ų4856.6 Ų56.632%0.32433%0.325SS..THydrogen-bonded Turntrans-112.22.5-175.270.10000114.5C286 Y306C286-C304 HydrophobicContact CB-CB 4.45Å; C304-Y306 PolarHBondContact O-N 3.09Å; C304-Y306 VanDerWaalsContact SG-CB 3.51Å
305Q92.4Very high85.4Confident141 Ų14153 Ų5366%0.65931%0.307SS*.  trans56.318.6-178.5-59.1-66.3-5.300114.4C301 A307C301-Q305 WeakPolarHBondContact O-CA 3.34Å; C301-Q305 PolarHBondContact O-N 2.95Å; Q305-A307 PolarHBondContact O-N 3.33Å
306Y93.4Very high86.3Confident56 Ų5650.3 Ų50.322%0.2229%0.286CS..  trans-76.7118.1177.7-173.2-122.8000110P282 R283 C301 C304 F308 G315P282-Y306 HydrophobicContact CG-CD1 4.15Å; P282-Y306 HydrophobicContact CG-CE1 3.82Å; R283-Y306 HydrophobicContact CG-CD1 4.04Å; R283-Y306 HydrophobicContact CG-CE1 4.46Å; R283-Y306 HydrophobicContact CG-CG 4.32Å; C301-Y306 PolarHBondContact N-O 2.9Å; C304-Y306 PolarHBondContact O-N 3.09Å; C304-Y306 VanDerWaalsContact SG-CB 3.51Å; Y306-F308 HydrophobicContact CD1-CB 3.94Å; Y306-F308 HydrophobicContact CD1-CD1 4.08Å; Y306-F308 HydrophobicContact CD1-CG 4.39Å; Y306-F308 HydrophobicContact CE1-CB 3.65Å; Y306-F308 HydrophobicContact CE1-CG 4.47Å; Y306-F308 WeakPolarHBondContact O-CD1 3.34Å; Y306-G315 WeakPolarHBondContact OH-CA 3.2Å; Y306-G315 PolarHBondContact OH-N 2.81Å
307A91.7Very high86.6Confident40 Ų4049.9 Ų49.933%0.33128%0.28SS..EExtended strand (participates in β ladder)trans-87.711917100000109.9G299 I300 Q305 Y316G299-A307 CarbonylContact O-C 3.56Å; G299-A307 WeakPolarHBondContact O-CA 3.41Å; I300-A307 HydrophobicContact CG1-CB 4.3Å; Q305-A307 PolarHBondContact O-N 3.33Å; A307-Y316 PolarHBondContact O-N 3.22Å; A307-Y316 VanDerWaalsContact O-N 3.12Å
308F89.6Confident86.7Confident0 Ų049.5 Ų49.50%028%0.284CS..EExtended strand (participates in β ladder)trans-131.2157.4-17662.7-82.7000112.1V279 P282 V290 G299 C301 Y306 L314V279-F308 HydrophobicContact CG2-CE2 3.87Å; V279-F308 HydrophobicContact CG2-CZ 3.85Å; P282-F308 HydrophobicContact CG-CB 3.98Å; P282-F308 HydrophobicContact CG-CD1 4.28Å; P282-F308 HydrophobicContact CG-CD2 3.93Å; P282-F308 HydrophobicContact CG-CG 3.81Å; V290-F308 HydrophobicContact CB-CZ 4.25Å; V290-F308 HydrophobicContact CG1-CZ 4.43Å; V290-F308 HydrophobicContact CG2-CE1 4.1Å; V290-F308 HydrophobicContact CG2-CZ 4.12Å; G299-F308 PolarHBondContact N-O 3.5Å; G299-F308 VanDerWaalsContact O-CD1 3.31Å; G299-F308 WeakPolarHBondContact O-CD1 3.22Å; G299-F308 PolarHBondContact O-N 3.11Å; C301-F308 HydrophobicContact CB-CE1 4.47Å; Y306-F308 HydrophobicContact CD1-CB 3.94Å; Y306-F308 HydrophobicContact CD1-CD1 4.08Å; Y306-F308 HydrophobicContact CD1-CG 4.39Å; Y306-F308 HydrophobicContact CE1-CB 3.65Å; Y306-F308 HydrophobicContact CE1-CG 4.47Å; Y306-F308 WeakPolarHBondContact O-CD1 3.34Å; F308-L314 CarbonylContact C-O 3.6Å; F308-L314 WeakPolarHBondContact CA-O 3.28Å; F308-L314 WeakPolarHBondContact CB-O 3.24Å
309C85.9Confident86Confident0 Ų053.6 Ų53.60%031%0.313CS..EExtended strand (participates in β ladder)trans-79.5128.3170.2-178.20000109.7T297 L311 C312 K313 L314T297-C309 CarbonylContact O-C 3.15Å; T297-C309 VanDerWaalsContact O-CA 3.24Å; T297-C309 WeakPolarHBondContact O-CA 3.3Å; C309-L311 PolarHBondContact O-N 3.35Å; C309-L311 VanDerWaalsContact O-N 3.09Å; C309-C312 VanDerWaalsContact CB-SG 3.56Å; C309-K313 VanDerWaalsContact O-CA 3.22Å; C309-K313 WeakPolarHBondContact O-CA 3.48Å; C309-K313 PolarHBondContact O-N 3.32Å; C309-L314 PolarHBondContact N-O 3.29Å
310T79Confident84.9Confident6 Ų657.2 Ų57.24%0.03734%0.338CS..THydrogen-bonded Turntrans-63.1-17.4179.456.70000113.2V279 V292 T297 K313V279-T310 HydrophobicContact CG2-CG2 4.36Å; V292-T310 HydrophobicContact CG1-CG2 3.88Å; V292-T310 HydrophobicContact CG2-CG2 3.83Å; T297-T310 WeakPolarHBondContact CA-OG1 3.47Å; T297-T310 PolarHBondContact O-N 2.87Å; T297-T310 PolarHBondContact O-OG1 2.81Å; T310-K313 VanDerWaalsContact O-CE 3.3Å; T310-K313 WeakPolarHBondContact O-CE 3.42Å; T310-K313 PolarHBondContact O-NZ 3.2Å
311L75.9Confident83.7Confident39 Ų3960.5 Ų60.520%0.20435%0.351CS..THydrogen-bonded Turntrans-92.4-64.6-175.6-48.2172.5000112.5T297 C309 K313 I324 F351 V355T297-L311 HydrophobicContact CG2-CD1 3.83Å; T297-L311 HydrophobicContact CG2-CG 4.29Å; C309-L311 PolarHBondContact O-N 3.35Å; C309-L311 VanDerWaalsContact O-N 3.09Å; L311-K313 VanDerWaalsContact C-N 3.33Å; L311-I324 HydrophobicContact CB-CD1 4.26Å; L311-F351 HydrophobicContact CD2-CB 4.43Å; L311-F351 HydrophobicContact CD2-CD1 4.46Å; L311-V355 HydrophobicContact CD1-CB 4.4Å; L311-V355 HydrophobicContact CD1-CG1 3.26Å; L311-V355 HydrophobicContact CD1-CG2 4.32Å; L311-V355 HydrophobicContact CD2-CB 4.27Å; L311-V355 HydrophobicContact CD2-CG1 3.41Å; L311-V355 VanDerWaalsContact CD2-CG1 3.41Å; L311-V355 HydrophobicContact CG-CG1 3.87Å
312C76.6Confident82.5Confident25 Ų2562.4 Ų62.417%0.16936%0.364CS..THydrogen-bonded Turntrans-85.1-6.6-17964.60000113.6C309 L314 C322 I324C309-C312 VanDerWaalsContact CB-SG 3.56Å; C312-L314 HydrophobicContact CB-CG 4.42Å; C312-L314 PolarHBondContact O-N 3.05Å; C312-C322 WeakPolarHBondContact CB-SG 3.47Å; C312-C322 PolarHBondContact SG-SG 3.22Å; C312-I324 HydrophobicContact CB-CG1 3.99Å
313K80.9Confident81.4Confident69 Ų6966.2 Ų66.230%0.337%0.369SS..  trans58.89.8-176.8-54.6-54.8-174-168.20114.6P282 C309 T310 L311P282-K313 HydrophobicContact CB-CB 3.77Å; P282-K313 WeakPolarHBondContact CB-O 2.99Å; P282-K313 HydrophobicContact CG-CB 4.31Å; P282-K313 WeakPolarHBondContact CG-O 3.43Å; C309-K313 VanDerWaalsContact O-CA 3.22Å; C309-K313 WeakPolarHBondContact O-CA 3.48Å; C309-K313 PolarHBondContact O-N 3.32Å; T310-K313 VanDerWaalsContact O-CE 3.3Å; T310-K313 WeakPolarHBondContact O-CE 3.42Å; T310-K313 PolarHBondContact O-NZ 3.2Å; L311-K313 VanDerWaalsContact C-N 3.33Å
314L84.4Confident80.3Confident89 Ų8965.2 Ų65.247%0.46635%0.354SS..SBendtrans-91177.4173-59.8175.7000111.1F308 C309 C312 Y316 K323F308-L314 CarbonylContact C-O 3.6Å; F308-L314 WeakPolarHBondContact CA-O 3.28Å; F308-L314 WeakPolarHBondContact CB-O 3.24Å; C309-L314 PolarHBondContact N-O 3.29Å; C312-L314 HydrophobicContact CB-CG 4.42Å; C312-L314 PolarHBondContact O-N 3.05Å; L314-Y316 PolarHBondContact O-N 3.17Å; L314-K323 HydrophobicContact CD1-CB 4.45Å
315G86.2Confident79.1Confident34 Ų3466.2 Ų66.235%0.35136%0.359SS..BIsolated β-bridgetrans-53.2136.7176.300000111.5Y306 H317Y306-G315 WeakPolarHBondContact OH-CA 3.2Å; Y306-G315 PolarHBondContact OH-N 2.81Å; G315-H317 PolarHBondContact O-N 2.83Å
316Y87.6Confident77.9Confident96 Ų9660.6 Ų60.638%0.37634%0.337SS..  trans-58.4131.2-177.6-178.4-108.2000111.2M298 A307 L314M298-Y316 HydrophobicContact CB-CD2 3.74Å; M298-Y316 HydrophobicContact CB-CE2 3.49Å; M298-Y316 VanDerWaalsContact CB-CE2 3.49Å; M298-Y316 HydrophobicContact CB-CG 4.36Å; M298-Y316 HydrophobicContact CG-CD1 4.15Å; M298-Y316 HydrophobicContact CG-CD2 3.75Å; M298-Y316 HydrophobicContact CG-CE1 4.27Å; M298-Y316 HydrophobicContact CG-CE2 3.91Å; M298-Y316 HydrophobicContact CG-CG 3.87Å; M298-Y316 HydrophobicContact SD-CD1 3.78Å; M298-Y316 HydrophobicContact SD-CD2 4.4Å; M298-Y316 HydrophobicContact SD-CE1 3.67Å; M298-Y316 HydrophobicContact SD-CE2 4.33Å; M298-Y316 HydrophobicContact SD-CG 4.13Å; A307-Y316 PolarHBondContact O-N 3.22Å; A307-Y316 VanDerWaalsContact O-N 3.12Å; L314-Y316 PolarHBondContact O-N 3.17Å
317H81.3Confident76.9Confident46 Ų4662.7 Ų62.721%0.21335%0.352CS..  trans-119.29.4-170.953.568.4000113.8G315 V319 S320 C322G315-H317 PolarHBondContact O-N 2.83Å; H317-V319 PolarHBondContact O-N 3.41Å; H317-S320 PolarHBondContact CE1-O 2.94Å; H317-S320 PolarHBondContact ND1-O 3.49Å; H317-S320 VanDerWaalsContact O-CB 3.28Å; H317-S320 WeakPolarHBondContact O-CB 3.45Å; H317-S320 PolarHBondContact O-N 2.87Å; H317-S320 PolarHBondContact O-OG 3.44Å; H317-C322 PolarHBondContact NE2-SG 3.41Å
318G79.6Confident76Confident30 Ų3064.9 Ų64.931%0.30936%0.358SS..THydrogen-bonded Turntrans56.7-124.917700000112.6S320G318-S320 VanDerWaalsContact C-N 3.29Å; G318-S320 PolarHBondContact O-N 2.96Å
319V72.3Confident75.2Confident159 Ų15965.2 Ų65.296%0.96436%0.359SS*.THydrogen-bonded Turntrans-77.6-8.3179.6-64.30000114.4H317H317-V319 PolarHBondContact O-N 3.41Å
320S65.4Low74.8Confident76 Ų7668.4 Ų68.453%0.53137%0.371SS..SBendtrans-70.8152.2179.8-520000110.9H317 G318 C322H317-S320 PolarHBondContact CE1-O 2.94Å; H317-S320 PolarHBondContact ND1-O 3.49Å; H317-S320 VanDerWaalsContact O-CB 3.28Å; H317-S320 WeakPolarHBondContact O-CB 3.45Å; H317-S320 PolarHBondContact O-N 2.87Å; H317-S320 PolarHBondContact O-OG 3.44Å; G318-S320 VanDerWaalsContact C-N 3.29Å; G318-S320 PolarHBondContact O-N 2.96Å; S320-C322 PolarHBondContact O-N 2.6Å
321H65.3Low74.9Confident159 Ų15971.6 Ų71.674%0.73639%0.394SS*.PPolyproline II helixtrans-58.3133.9177.4-64.8-86.8000111.4K323H321-K323 PolarHBondContact O-N 3.28Å
322C67.7Low74.9Confident40 Ų4071.7 Ų71.727%0.2740%0.395SS..PPolyproline II helixtrans-66.2129.5175.7-151.30000109.1C312 H317 S320 I324C312-C322 WeakPolarHBondContact CB-SG 3.47Å; C312-C322 PolarHBondContact SG-SG 3.22Å; H317-C322 PolarHBondContact NE2-SG 3.41Å; S320-C322 PolarHBondContact O-N 2.6Å; C322-I324 HydrophobicContact CB-CD1 4.09Å; C322-I324 HydrophobicContact CB-CG1 3.98Å; C322-I324 PolarHBondContact O-N 3.45Å
323K67.9Low75.3Confident172 Ų17271.9 Ų71.975%0.74839%0.392SS*.  trans-82.450.8178.9-66.5-174.2-179179.10111.4L314 H321L314-K323 HydrophobicContact CD1-CB 4.45Å; H321-K323 PolarHBondContact O-N 3.28Å
324I69.7Low75.5Confident44 Ų4472.5 Ų72.523%0.22640%0.398CS..  trans-73.9132.4173.5-55.6174.2000107.1L311 C312 C322 D328 L329L311-I324 HydrophobicContact CB-CD1 4.26Å; C312-I324 HydrophobicContact CB-CG1 3.99Å; C322-I324 HydrophobicContact CB-CD1 4.09Å; C322-I324 HydrophobicContact CB-CG1 3.98Å; C322-I324 PolarHBondContact O-N 3.45Å; I324-D328 HydrophobicContact CG2-CB 3.55Å; I324-L329 HydrophobicContact CB-CD2 4.18Å; I324-L329 HydrophobicContact CB-CG 4.2Å; I324-L329 HydrophobicContact CD1-CD2 4.29Å; I324-L329 HydrophobicContact CG2-CD2 3.79Å; I324-L329 HydrophobicContact CG2-CG 3.69Å
325T68.4Low75.4Confident69 Ų6974 Ų7442%0.42340%0.403SS..  trans-70.7161.7-179.773.60000110.7D327 D328 L329T325-D327 PolarHBondContact O-N 3.41Å; T325-D328 WeakPolarHBondContact CB-OD2 3.38Å; T325-D328 WeakPolarHBondContact CG2-OD2 3.03Å; T325-D328 PolarHBondContact N-OD2 3.19Å; T325-D328 PolarHBondContact O-N 3.48Å; T325-D328 PolarHBondContact OG1-N 2.91Å; T325-D328 PolarHBondContact OG1-OD2 3.32Å; T325-L329 PolarHBondContact O-N 2.98Å
326A67.3Low75.3Confident24 Ų2473.6 Ų73.620%0.19839%0.391CS..Hα-helixtrans-62.1-31.5177.700000112.2R330 R366A326-R330 WeakPolarHBondContact O-CG 3.28Å; A326-R330 VanDerWaalsContact O-CZ 3.32Å; A326-R330 PolarHBondContact O-N 3.31Å; A326-R330 PolarHBondContact O-NH1 2.91Å; A326-R366 VanDerWaalsContact CB-NH2 3.33Å
327D71.5Confident75.2Confident99 Ų9973.6 Ų73.653%0.52940%0.397SS..Hα-helixtrans-72-45.8178-67.3-62.6000110.9T325 L329 R330 S331T325-D327 PolarHBondContact O-N 3.41Å; D327-L329 VanDerWaalsContact C-N 3.31Å; D327-L329 PolarHBondContact O-N 2.81Å; D327-R330 VanDerWaalsContact CG-NH2 3.32Å; D327-R330 WeakPolarHBondContact O-CB 3.47Å; D327-R330 PolarHBondContact O-N 2.87Å; D327-R330 VanDerWaalsContact O-N 3.1Å; D327-R330 IonicContact OD1-CZ 3.64Å; D327-R330 IonicContact OD1-NE 3.93Å; D327-R330 IonicContact OD1-NH2 3.27Å; D327-R330 PolarHBondContact OD1-NH2 3.32Å; D327-R330 IonicContact OD2-NH2 3.46Å; D327-S331 PolarHBondContact O-N 3.18Å; D327-S331 PolarHBondContact O-OG 2.94Å
328D72.5Confident75.4Confident87 Ų8776.1 Ų76.147%0.46542%0.42SS..Hα-helixtrans-62.1-37.4179-57.7-38.2000112.4I324 T325 S331 L332I324-D328 HydrophobicContact CG2-CB 3.55Å; T325-D328 WeakPolarHBondContact CB-OD2 3.38Å; T325-D328 WeakPolarHBondContact CG2-OD2 3.03Å; T325-D328 PolarHBondContact N-OD2 3.19Å; T325-D328 PolarHBondContact O-N 3.48Å; T325-D328 PolarHBondContact OG1-N 2.91Å; T325-D328 PolarHBondContact OG1-OD2 3.32Å; D328-S331 PolarHBondContact O-N 2.96Å; D328-L332 WeakPolarHBondContact O-CB 3.35Å; D328-L332 PolarHBondContact O-N 2.9Å
329L73.2Confident75.8Confident6 Ų675.9 Ų75.93%0.03142%0.415CS..Hα-helixtrans-64.8-39.2174.8-72.9173.1000112.2I324 T325 D327 R333 A359 E362I324-L329 HydrophobicContact CB-CD2 4.18Å; I324-L329 HydrophobicContact CB-CG 4.2Å; I324-L329 HydrophobicContact CD1-CD2 4.29Å; I324-L329 HydrophobicContact CG2-CD2 3.79Å; I324-L329 HydrophobicContact CG2-CG 3.69Å; T325-L329 PolarHBondContact O-N 2.98Å; D327-L329 VanDerWaalsContact C-N 3.31Å; D327-L329 PolarHBondContact O-N 2.81Å; L329-R333 WeakPolarHBondContact O-CB 3.49Å; L329-R333 PolarHBondContact O-N 3.44Å; L329-A359 HydrophobicContact CD2-CB 3.82Å; L329-E362 HydrophobicContact CD1-CG 4.42Å
330R78.1Confident76.6Confident67 Ų6772.2 Ų72.225%0.25339%0.393SS..Hα-helixtrans-68-45.3176.2-77.6-171-69.3-88.1-0.9111.2A326 D327 L332 R333 D334 D367A326-R330 WeakPolarHBondContact O-CG 3.28Å; A326-R330 VanDerWaalsContact O-CZ 3.32Å; A326-R330 PolarHBondContact O-N 3.31Å; A326-R330 PolarHBondContact O-NH1 2.91Å; D327-R330 VanDerWaalsContact CG-NH2 3.32Å; D327-R330 WeakPolarHBondContact O-CB 3.47Å; D327-R330 PolarHBondContact O-N 2.87Å; D327-R330 VanDerWaalsContact O-N 3.1Å; D327-R330 IonicContact OD1-CZ 3.64Å; D327-R330 IonicContact OD1-NE 3.93Å; D327-R330 IonicContact OD1-NH2 3.27Å; D327-R330 PolarHBondContact OD1-NH2 3.32Å; D327-R330 IonicContact OD2-NH2 3.46Å; R330-L332 VanDerWaalsContact C-N 3.35Å; R330-L332 PolarHBondContact O-N 3.42Å; R330-R333 WeakPolarHBondContact O-CB 3.21Å; R330-R333 PolarHBondContact O-N 3.35Å; R330-D334 WeakPolarHBondContact O-CB 3.46Å; R330-D334 PolarHBondContact O-N 3.36Å; R330-D367 IonicContact NH1-OD1 3.9Å
331S80.4Confident77.5Confident74 Ų7472.8 Ų72.852%0.51740%0.395SS..Hα-helixtrans-58.9-46.2177.1-64.50000111.7D327 D328 R333 D334 E335D327-S331 PolarHBondContact O-N 3.18Å; D327-S331 PolarHBondContact O-OG 2.94Å; D328-S331 PolarHBondContact O-N 2.96Å; S331-R333 VanDerWaalsContact C-N 3.34Å; S331-R333 PolarHBondContact O-N 3.2Å; S331-D334 PolarHBondContact O-N 3.4Å; S331-E335 WeakPolarHBondContact O-CB 3.49Å; S331-E335 PolarHBondContact O-N 3.42Å
332L77.4Confident78.2Confident41 Ų4171.5 Ų71.522%0.21539%0.389CS..Hα-helixtrans-63.5-38.7177.6-170.1119.3000112.2D328 R330 Y336 V356 A359D328-L332 WeakPolarHBondContact O-CB 3.35Å; D328-L332 PolarHBondContact O-N 2.9Å; R330-L332 VanDerWaalsContact C-N 3.35Å; R330-L332 PolarHBondContact O-N 3.42Å; L332-Y336 VanDerWaalsContact O-CB 3.26Å; L332-Y336 WeakPolarHBondContact O-CB 3.5Å; L332-Y336 PolarHBondContact O-N 3.37Å; L332-V356 HydrophobicContact CD2-CG1 4.45Å; L332-A359 HydrophobicContact CD2-CB 3.61Å
333R83.3Confident78.7Confident29 Ų2970.6 Ų70.611%0.10939%0.387CS..Hα-helixtrans-62.7-50.5174.1174.3-160.465.4-162.5-8.5111.4L329 R330 S331 E335 Y336 L337 V360 S363 F364 D367L329-R333 WeakPolarHBondContact O-CB 3.49Å; L329-R333 PolarHBondContact O-N 3.44Å; R330-R333 WeakPolarHBondContact O-CB 3.21Å; R330-R333 PolarHBondContact O-N 3.35Å; S331-R333 VanDerWaalsContact C-N 3.34Å; S331-R333 PolarHBondContact O-N 3.2Å; R333-E335 VanDerWaalsContact C-N 3.31Å; R333-E335 PolarHBondContact O-N 3.1Å; R333-Y336 PolarHBondContact O-N 2.99Å; R333-L337 HydrophobicContact CG-CD1 3.62Å; R333-L337 HydrophobicContact CG-CG 4.25Å; R333-L337 WeakPolarHBondContact O-CB 3.4Å; R333-L337 VanDerWaalsContact O-CG 3.31Å; R333-L337 WeakPolarHBondContact O-CG 3.37Å; R333-L337 PolarHBondContact O-N 3.45Å; R333-V360 HydrophobicContact CB-CG2 4.37Å; R333-V360 HydrophobicContact CG-CG1 4.29Å; R333-S363 PolarHBondContact NH1-OG 2.89Å; R333-F364 HydrophobicContact CG-CE2 4.23Å; R333-F364 HydrophobicContact CG-CZ 4.35Å; R333-D367 IonicContact CZ-OD2 3.67Å; R333-D367 IonicContact NH1-OD2 2.67Å; R333-D367 PolarHBondContact NH1-OD2 3.13Å; R333-D367 IonicContact NH2-OD2 3.9Å
334D85.4Confident79.3Confident81 Ų8165.2 Ų65.243%0.43337%0.365SS..Hα-helixtrans-65.6-38.8-174.2-63.1-13.4000110.4R330 S331 S338R330-D334 WeakPolarHBondContact O-CB 3.46Å; R330-D334 PolarHBondContact O-N 3.36Å; S331-D334 PolarHBondContact O-N 3.4Å; D334-S338 VanDerWaalsContact O-CB 3.26Å; D334-S338 WeakPolarHBondContact O-CB 3.47Å; D334-S338 PolarHBondContact O-N 3.49Å; D334-S338 PolarHBondContact O-OG 2.91Å
335E83.2Confident79.6Confident121 Ų12169.6 Ų69.657%0.56538%0.382SS*.Hα-helixtrans-63.2-46.7172.4-169.4174.3-171.400111.6S331 R333 L337 S338 A339 M347S331-E335 WeakPolarHBondContact O-CB 3.49Å; S331-E335 PolarHBondContact O-N 3.42Å; R333-E335 VanDerWaalsContact C-N 3.31Å; R333-E335 PolarHBondContact O-N 3.1Å; E335-L337 PolarHBondContact O-N 3.32Å; E335-S338 PolarHBondContact O-N 3.34Å; E335-S338 PolarHBondContact O-OG 3.28Å; E335-A339 WeakPolarHBondContact O-CB 3.21Å; E335-A339 PolarHBondContact O-N 3.44Å; E335-M347 HydrophobicContact CG-CE 4.28Å; E335-M347 HydrophobicContact CG-SD 4.09Å
336Y83.5Confident79.9Confident26 Ų2670.3 Ų70.310%0.10238%0.379CS..Hα-helixtrans-63.8-42.3179-171.7-101.8000113.4L332 R333 Q344 M347 E348 V356 V360L332-Y336 VanDerWaalsContact O-CB 3.26Å; L332-Y336 WeakPolarHBondContact O-CB 3.5Å; L332-Y336 PolarHBondContact O-N 3.37Å; R333-Y336 PolarHBondContact O-N 2.99Å; Y336-Q344 HydrophobicContact CD2-CG 4.26Å; Y336-Q344 HydrophobicContact CE2-CB 3.86Å; Y336-Q344 HydrophobicContact CE2-CG 3.97Å; Y336-Q344 WeakPolarHBondContact O-CG 3.35Å; Y336-Q344 PolarHBondContact O-NE2 2.97Å; Y336-Q344 VanDerWaalsContact O-NE2 3.13Å; Y336-M347 HydrophobicContact CD2-CB 4.2Å; Y336-M347 HydrophobicContact CD2-CE 4.16Å; Y336-M347 HydrophobicContact CD2-SD 4.21Å; Y336-M347 HydrophobicContact CE2-CB 4.48Å; Y336-E348 HydrophobicContact CE2-CG 4.03Å; Y336-E348 PolarHBondContact OH-OE1 2.94Å; Y336-V356 HydrophobicContact CD1-CG1 4.24Å; Y336-V356 HydrophobicContact CD2-CG1 3.37Å; Y336-V356 HydrophobicContact CE1-CG1 4.41Å; Y336-V356 HydrophobicContact CE2-CG1 3.56Å; Y336-V356 HydrophobicContact CG-CG1 3.72Å; Y336-V360 HydrophobicContact CD1-CG2 4.08Å; Y336-V360 HydrophobicContact CG-CG2 4.43Å
337L85.1Confident80.1Confident96 Ų9669.9 Ų69.950%0.50337%0.374SS..Hα-helixtrans-72.2-30.7179.6-69.2173.2000112.9R333 E335 F364R333-L337 HydrophobicContact CG-CD1 3.62Å; R333-L337 HydrophobicContact CG-CG 4.25Å; R333-L337 WeakPolarHBondContact O-CB 3.4Å; R333-L337 VanDerWaalsContact O-CG 3.31Å; R333-L337 WeakPolarHBondContact O-CG 3.37Å; R333-L337 PolarHBondContact O-N 3.45Å; E335-L337 PolarHBondContact O-N 3.32Å; L337-F364 HydrophobicContact CD1-CE2 4.3Å; L337-F364 HydrophobicContact CD1-CZ 3.79Å
338S86.4Confident80.3Confident98 Ų9866.7 Ų66.769%0.68536%0.355SS*.Hα-helixtrans-86-13.3178.960.10000113.8D334 E335D334-S338 VanDerWaalsContact O-CB 3.26Å; D334-S338 WeakPolarHBondContact O-CB 3.47Å; D334-S338 PolarHBondContact O-N 3.49Å; D334-S338 PolarHBondContact O-OG 2.91Å; E335-S338 PolarHBondContact O-N 3.34Å; E335-S338 PolarHBondContact O-OG 3.28Å
339A87Confident79.9Confident25 Ų2568.6 Ų68.621%0.20736%0.362CS..SBendtrans-73151.7178.900000113.7E335 Q344 M347E335-A339 WeakPolarHBondContact O-CB 3.21Å; E335-A339 PolarHBondContact O-N 3.44Å; A339-Q344 HydrophobicContact CB-CG 4.04Å; A339-Q344 PolarHBondContact O-NE2 2.61Å; A339-M347 HydrophobicContact CB-CE 3.23Å
340T90.1Very high79.5Confident82 Ų8271.6 Ų71.650%0.50337%0.372SS..  trans-66.2164.317167.50000111.1E342 G343 Q344T340-E342 WeakPolarHBondContact CB-OE2 3.29Å; T340-E342 PolarHBondContact O-N 3.21Å; T340-E342 VanDerWaalsContact O-N 3.15Å; T340-E342 PolarHBondContact OG1-OE2 3.26Å; T340-G343 CarbonylContact O-C 3.57Å; T340-G343 WeakPolarHBondContact O-CA 3.41Å; T340-G343 PolarHBondContact O-N 2.85Å; T340-G343 PolarHBondContact OG1-N 2.86Å; T340-Q344 WeakPolarHBondContact O-CG 3.33Å; T340-Q344 PolarHBondContact O-N 3.44Å
341P85.2Confident78.9Confident88 Ų8870.8 Ų70.857%0.57137%0.371SS*.Hα-helixtrans-54.2-33.9175.8-25.835.4000113.5K345P341-K345 PolarHBondContact O-N 3.41Å; P341-K345 VanDerWaalsContact O-N 3.12Å
342E79.8Confident78Confident132 Ų13268.1 Ų68.162%0.61736%0.355SS*.Hα-helixtrans-71.1-43.6174.2-58.971.5-150.200111.4T340 K345 F346T340-E342 WeakPolarHBondContact CB-OE2 3.29Å; T340-E342 PolarHBondContact O-N 3.21Å; T340-E342 VanDerWaalsContact O-N 3.15Å; T340-E342 PolarHBondContact OG1-OE2 3.26Å; E342-K345 PolarHBondContact O-N 3.21Å; E342-F346 WeakPolarHBondContact O-CB 3.49Å; E342-F346 PolarHBondContact O-N 3.45Å
343G77.1Confident77.5Confident22 Ų2271.3 Ų71.323%0.22737%0.367CS..Hα-helixtrans-65.1-36.4176.200000113.1T340 F346 M347T340-G343 CarbonylContact O-C 3.57Å; T340-G343 WeakPolarHBondContact O-CA 3.41Å; T340-G343 PolarHBondContact O-N 2.85Å; T340-G343 PolarHBondContact OG1-N 2.86Å; G343-F346 PolarHBondContact O-N 3.08Å; G343-M347 PolarHBondContact O-N 3.11Å
344Q80.3Confident76.5Confident59 Ų5979.8 Ų79.828%0.27640%0.399SS..Hα-helixtrans-64.3-47.2172.4-72.8178.2100111.2Y336 A339 T340 F346 M347 E348Y336-Q344 HydrophobicContact CD2-CG 4.26Å; Y336-Q344 HydrophobicContact CE2-CB 3.86Å; Y336-Q344 HydrophobicContact CE2-CG 3.97Å; Y336-Q344 WeakPolarHBondContact O-CG 3.35Å; Y336-Q344 PolarHBondContact O-NE2 2.97Å; Y336-Q344 VanDerWaalsContact O-NE2 3.13Å; A339-Q344 HydrophobicContact CB-CG 4.04Å; A339-Q344 PolarHBondContact O-NE2 2.61Å; T340-Q344 WeakPolarHBondContact O-CG 3.33Å; T340-Q344 PolarHBondContact O-N 3.44Å; Q344-F346 VanDerWaalsContact C-N 3.31Å; Q344-F346 PolarHBondContact O-N 3.43Å; Q344-M347 PolarHBondContact O-N 3.26Å; Q344-E348 WeakPolarHBondContact O-CG 3.4Å; Q344-E348 PolarHBondContact O-N 3.49Å
345K76.2Confident75.6Confident136 Ų13677.6 Ų77.659%0.59139%0.389SS*.Hα-helixtrans-59-42.5174.4-87-177.4177.3175.80112P341 E342 M347 E348 Q349P341-K345 PolarHBondContact O-N 3.41Å; P341-K345 VanDerWaalsContact O-N 3.12Å; E342-K345 PolarHBondContact O-N 3.21Å; K345-M347 VanDerWaalsContact C-N 3.34Å; K345-M347 PolarHBondContact O-N 3.14Å; K345-E348 PolarHBondContact O-N 3.23Å; K345-Q349 WeakPolarHBondContact O-CB 3.21Å; K345-Q349 WeakPolarHBondContact O-CG 3.44Å; K345-Q349 PolarHBondContact O-N 3.31Å
346F75.7Confident75.1Confident83 Ų8372 Ų7236%0.36436%0.363SS..Hα-helixtrans-60.2-44.5176.2-178.8-99.2000111.5E342 G343 Q344 Q349 R350E342-F346 WeakPolarHBondContact O-CB 3.49Å; E342-F346 PolarHBondContact O-N 3.45Å; G343-F346 PolarHBondContact O-N 3.08Å; Q344-F346 VanDerWaalsContact C-N 3.31Å; Q344-F346 PolarHBondContact O-N 3.43Å; F346-Q349 PolarHBondContact O-N 3.12Å; F346-R350 VanDerWaalsContact O-CB 3.28Å; F346-R350 WeakPolarHBondContact O-CB 3.23Å; F346-R350 PolarHBondContact O-N 2.8Å
347M69.7Low74.7Confident16 Ų1675.1 Ų75.18%0.07938%0.378CS..Hα-helixtrans-65.7-41.7174.6-77.6-170.3-93.300113.4E335 Y336 A339 G343 Q344 K345 Q349 R350 F351E335-M347 HydrophobicContact CG-CE 4.28Å; E335-M347 HydrophobicContact CG-SD 4.09Å; Y336-M347 HydrophobicContact CD2-CB 4.2Å; Y336-M347 HydrophobicContact CD2-CE 4.16Å; Y336-M347 HydrophobicContact CD2-SD 4.21Å; Y336-M347 HydrophobicContact CE2-CB 4.48Å; A339-M347 HydrophobicContact CB-CE 3.23Å; G343-M347 PolarHBondContact O-N 3.11Å; Q344-M347 PolarHBondContact O-N 3.26Å; K345-M347 VanDerWaalsContact C-N 3.34Å; K345-M347 PolarHBondContact O-N 3.14Å; M347-Q349 VanDerWaalsContact C-N 3.29Å; M347-Q349 PolarHBondContact O-N 2.93Å; M347-R350 PolarHBondContact O-N 3.42Å; M347-F351 HydrophobicContact CB-CD2 4.46Å; M347-F351 WeakPolarHBondContact O-CD2 3.49Å; M347-F351 PolarHBondContact O-N 2.89Å
348E77.4Confident74.1Confident32 Ų3276.6 Ų76.615%0.1538%0.38CS..Hα-helixtrans-62.2-36.4175.1-74.2-169.6158.600111.6Y336 Q344 K345 G352 K353Y336-E348 HydrophobicContact CE2-CG 4.03Å; Y336-E348 PolarHBondContact OH-OE1 2.94Å; Q344-E348 WeakPolarHBondContact O-CG 3.4Å; Q344-E348 PolarHBondContact O-N 3.49Å; K345-E348 PolarHBondContact O-N 3.23Å; E348-G352 CarbonylContact O-C 3.45Å; E348-G352 WeakPolarHBondContact O-CA 3.45Å; E348-G352 PolarHBondContact O-N 3.22Å; E348-K353 HydrophobicContact CB-CB 4.06Å; E348-K353 HydrophobicContact CG-CB 4.17Å; E348-K353 HydrophobicContact CG-CG 4.16Å; E348-K353 PolarHBondContact O-N 2.92Å; E348-K353 WeakPolarHBondContact OE1-CE 3.26Å; E348-K353 WeakPolarHBondContact OE1-CG 3.49Å; E348-K353 IonicContact OE1-NZ 3.87Å; E348-K353 WeakPolarHBondContact OE2-CD 3.43Å; E348-K353 IonicContact OE2-NZ 3.64Å
349Q63.8Low73.5Confident127 Ų12772.3 Ų72.359%0.59335%0.351SS*.Hα-helixtrans-72.7-40.1176-71.3171.9-7.600111.6A276 K345 F346 M347A276-Q349 HydrophobicContact CB-CB 3.68Å; K345-Q349 WeakPolarHBondContact O-CB 3.21Å; K345-Q349 WeakPolarHBondContact O-CG 3.44Å; K345-Q349 PolarHBondContact O-N 3.31Å; F346-Q349 PolarHBondContact O-N 3.12Å; M347-Q349 VanDerWaalsContact C-N 3.29Å; M347-Q349 PolarHBondContact O-N 2.93Å
350R65.3Low73.3Confident68 Ų6872 Ų7226%0.25735%0.346SS..Hα-helixtrans-72.9-42-177.6-175.8177-177.389.2-5.9114.2F346 M347F346-R350 VanDerWaalsContact O-CB 3.28Å; F346-R350 WeakPolarHBondContact O-CB 3.23Å; F346-R350 PolarHBondContact O-N 2.8Å; M347-R350 PolarHBondContact O-N 3.42Å
351F64.9Low72.8Confident51 Ų5174.2 Ų74.222%0.22435%0.351CS..Hα-helixtrans-107-8.4-175.2-62.9-73.6000113.2L311 M347 V355 V356L311-F351 HydrophobicContact CD2-CB 4.43Å; L311-F351 HydrophobicContact CD2-CD1 4.46Å; M347-F351 HydrophobicContact CB-CD2 4.46Å; M347-F351 WeakPolarHBondContact O-CD2 3.49Å; M347-F351 PolarHBondContact O-N 2.89Å; F351-V355 WeakPolarHBondContact O-CB 3.31Å; F351-V356 HydrophobicContact CB-CG2 3.62Å
352G60.2Low72.6Confident18 Ų1873.8 Ų73.819%0.18634%0.342CS..THydrogen-bonded Turntrans85.3121.5-173.500000111.7E348 R354 V355 V356E348-G352 CarbonylContact O-C 3.45Å; E348-G352 WeakPolarHBondContact O-CA 3.45Å; E348-G352 PolarHBondContact O-N 3.22Å; G352-R354 VanDerWaalsContact C-N 3.34Å; G352-R354 PolarHBondContact O-N 3.05Å; G352-V355 WeakPolarHBondContact O-CB 3.44Å; G352-V355 PolarHBondContact O-N 3.46Å; G352-V356 PolarHBondContact O-N 3.24Å; G352-V356 VanDerWaalsContact O-N 3.11Å
353K68.5Low72.6Confident107 Ų10767.6 Ų67.647%0.46531%0.313SS..Hα-helixtrans-46.8-50.9-177.4178165.4-169.1159.20114.4E348 V355 V356 Q357E348-K353 HydrophobicContact CB-CB 4.06Å; E348-K353 HydrophobicContact CG-CB 4.17Å; E348-K353 HydrophobicContact CG-CG 4.16Å; E348-K353 PolarHBondContact O-N 2.92Å; E348-K353 WeakPolarHBondContact OE1-CE 3.26Å; E348-K353 WeakPolarHBondContact OE1-CG 3.49Å; E348-K353 IonicContact OE1-NZ 3.87Å; E348-K353 WeakPolarHBondContact OE2-CD 3.43Å; E348-K353 IonicContact OE2-NZ 3.64Å; K353-V355 PolarHBondContact O-N 2.89Å; K353-V356 PolarHBondContact O-N 2.99Å; K353-Q357 WeakPolarHBondContact O-CB 3.47Å; K353-Q357 WeakPolarHBondContact O-CG 3.42Å; K353-Q357 PolarHBondContact O-N 3.05Å; K353-Q357 VanDerWaalsContact O-N 3.08Å
354R62.3Low72.8Confident207 Ų20771.5 Ų71.578%0.78132%0.324SS*.Hα-helixtrans-63-29.7-178.2-67.2-179.467.8173.41.8112.5G352 K358G352-R354 VanDerWaalsContact C-N 3.34Å; G352-R354 PolarHBondContact O-N 3.05Å; R354-K358 VanDerWaalsContact O-CB 3.29Å; R354-K358 WeakPolarHBondContact O-CB 3.45Å; R354-K358 PolarHBondContact O-N 3.39Å; R354-K358 VanDerWaalsContact O-N 3.14Å
355V65.2Low72.9Confident36 Ų3671.5 Ų71.522%0.21833%0.331CS..Hα-helixtrans-78.5-46.8-177.7-179.80000110.9T297 L311 F351 G352 K353 Q357 K358 A359T297-V355 HydrophobicContact CG2-CG2 3.99Å; L311-V355 HydrophobicContact CD1-CB 4.4Å; L311-V355 HydrophobicContact CD1-CG1 3.26Å; L311-V355 HydrophobicContact CD1-CG2 4.32Å; L311-V355 HydrophobicContact CD2-CB 4.27Å; L311-V355 HydrophobicContact CD2-CG1 3.41Å; L311-V355 VanDerWaalsContact CD2-CG1 3.41Å; L311-V355 HydrophobicContact CG-CG1 3.87Å; F351-V355 WeakPolarHBondContact O-CB 3.31Å; G352-V355 WeakPolarHBondContact O-CB 3.44Å; G352-V355 PolarHBondContact O-N 3.46Å; K353-V355 PolarHBondContact O-N 2.89Å; V355-Q357 VanDerWaalsContact C-N 3.3Å; V355-Q357 PolarHBondContact O-N 3.48Å; V355-K358 PolarHBondContact O-N 2.98Å; V355-A359 WeakPolarHBondContact O-CB 3.38Å; V355-A359 PolarHBondContact O-N 3.2Å
356V73.1Confident73.2Confident3 Ų369.9 Ų69.92%0.01832%0.321CS..Hα-helixtrans-59.1-46.5176.9179.80000109.9L332 Y336 F351 G352 K353 K358 A359 V360L332-V356 HydrophobicContact CD2-CG1 4.45Å; Y336-V356 HydrophobicContact CD1-CG1 4.24Å; Y336-V356 HydrophobicContact CD2-CG1 3.37Å; Y336-V356 HydrophobicContact CE1-CG1 4.41Å; Y336-V356 HydrophobicContact CE2-CG1 3.56Å; Y336-V356 HydrophobicContact CG-CG1 3.72Å; F351-V356 HydrophobicContact CB-CG2 3.62Å; G352-V356 PolarHBondContact O-N 3.24Å; G352-V356 VanDerWaalsContact O-N 3.11Å; K353-V356 PolarHBondContact O-N 2.99Å; V356-K358 PolarHBondContact O-N 3.18Å; V356-A359 PolarHBondContact O-N 2.69Å; V356-V360 HydrophobicContact CG1-CG2 4.42Å; V356-V360 WeakPolarHBondContact O-CB 3.41Å; V356-V360 VanDerWaalsContact O-CG2 3.23Å; V356-V360 WeakPolarHBondContact O-CG2 3.33Å; V356-V360 PolarHBondContact O-N 3.04Å
357Q76.1Confident73.5Confident92 Ų9267.6 Ų67.643%0.4331%0.312SS..Hα-helixtrans-58.6-45.6176-72.9179.4-8.600112.5K353 V355 V360 E361K353-Q357 WeakPolarHBondContact O-CB 3.47Å; K353-Q357 WeakPolarHBondContact O-CG 3.42Å; K353-Q357 PolarHBondContact O-N 3.05Å; K353-Q357 VanDerWaalsContact O-N 3.08Å; V355-Q357 VanDerWaalsContact C-N 3.3Å; V355-Q357 PolarHBondContact O-N 3.48Å; Q357-V360 PolarHBondContact O-N 3.13Å; Q357-E361 WeakPolarHBondContact O-CB 3.36Å; Q357-E361 PolarHBondContact O-N 3.22Å
358K72.4Confident74.1Confident126 Ų12672.5 Ų72.555%0.54833%0.33SS..Hα-helixtrans-65.1-40.4178.4-174.3176.8179.3-179.90112.3R354 V355 V356 E361 E362R354-K358 VanDerWaalsContact O-CB 3.29Å; R354-K358 WeakPolarHBondContact O-CB 3.45Å; R354-K358 PolarHBondContact O-N 3.39Å; R354-K358 VanDerWaalsContact O-N 3.14Å; V355-K358 PolarHBondContact O-N 2.98Å; V356-K358 PolarHBondContact O-N 3.18Å; K358-E361 PolarHBondContact O-N 3.15Å; K358-E362 WeakPolarHBondContact O-CB 3.48Å; K358-E362 PolarHBondContact O-N 3.38Å
359A73.8Confident74.4Confident9 Ų974.2 Ų74.27%0.07434%0.34CS..Hα-helixtrans-64.8-41.1177.600000111.6L329 L332 V355 V356 S363L329-A359 HydrophobicContact CD2-CB 3.82Å; L332-A359 HydrophobicContact CD2-CB 3.61Å; V355-A359 WeakPolarHBondContact O-CB 3.38Å; V355-A359 PolarHBondContact O-N 3.2Å; V356-A359 PolarHBondContact O-N 2.69Å; A359-S363 WeakPolarHBondContact O-CB 3.47Å; A359-S363 PolarHBondContact O-N 2.96Å
360V81.4Confident75.2Confident17 Ų1776.3 Ų76.310%0.10335%0.347CS..Hα-helixtrans-62.4-50174.1169.20000110.9R333 Y336 V356 Q357 E362 S363 F364R333-V360 HydrophobicContact CB-CG2 4.37Å; R333-V360 HydrophobicContact CG-CG1 4.29Å; Y336-V360 HydrophobicContact CD1-CG2 4.08Å; Y336-V360 HydrophobicContact CG-CG2 4.43Å; V356-V360 HydrophobicContact CG1-CG2 4.42Å; V356-V360 WeakPolarHBondContact O-CB 3.41Å; V356-V360 VanDerWaalsContact O-CG2 3.23Å; V356-V360 WeakPolarHBondContact O-CG2 3.33Å; V356-V360 PolarHBondContact O-N 3.04Å; Q357-V360 PolarHBondContact O-N 3.13Å; V360-E362 VanDerWaalsContact C-N 3.34Å; V360-E362 PolarHBondContact O-N 3.38Å; V360-S363 WeakPolarHBondContact O-CB 3.26Å; V360-S363 PolarHBondContact O-N 3.08Å; V360-F364 HydrophobicContact CG1-CD2 3.75Å; V360-F364 HydrophobicContact CG1-CE2 3.53Å; V360-F364 WeakPolarHBondContact O-CD2 3.38Å; V360-F364 PolarHBondContact O-N 3.16Å
361E81.1Confident76Confident129 Ų12980.6 Ų80.660%0.60337%0.37SS*.Hα-helixtrans-60.7-42.1177.9-175.9-179.4-166.400112.1Q357 K358 F364 S365Q357-E361 WeakPolarHBondContact O-CB 3.36Å; Q357-E361 PolarHBondContact O-N 3.22Å; K358-E361 PolarHBondContact O-N 3.15Å; E361-F364 PolarHBondContact O-N 2.91Å; E361-S365 WeakPolarHBondContact O-CB 3.34Å; E361-S365 PolarHBondContact O-N 3.37Å; E361-S365 PolarHBondContact O-OG 3.05Å
362E80Confident76.9Confident80 Ų8081.2 Ų81.237%0.37438%0.375SS..Hα-helixtrans-66.8-37.8177.3-170.2167.917300111.5L329 K358 V360 R366L329-E362 HydrophobicContact CD1-CG 4.42Å; K358-E362 WeakPolarHBondContact O-CB 3.48Å; K358-E362 PolarHBondContact O-N 3.38Å; V360-E362 VanDerWaalsContact C-N 3.34Å; V360-E362 PolarHBondContact O-N 3.38Å; E362-R366 WeakPolarHBondContact O-CB 3.26Å; E362-R366 WeakPolarHBondContact O-CG 3.2Å; E362-R366 PolarHBondContact O-N 3.33Å
363S81.1Confident78.2Confident2 Ų281.2 Ų81.21%0.01437%0.372CS..Hα-helixtrans-60.8-49.1172.2-172.40000111.5R333 A359 V360 R366 D367R333-S363 PolarHBondContact NH1-OG 2.89Å; A359-S363 WeakPolarHBondContact O-CB 3.47Å; A359-S363 PolarHBondContact O-N 2.96Å; V360-S363 WeakPolarHBondContact O-CB 3.26Å; V360-S363 PolarHBondContact O-N 3.08Å; S363-R366 PolarHBondContact O-N 3.35Å; S363-D367 PolarHBondContact O-N 3.36Å; S363-D367 VanDerWaalsContact O-N 3.1Å
364F81.1Confident79.2Confident103 Ų10379.2 Ų79.245%0.45236%0.364SS..Hα-helixtrans-62.6-44.4178.1-79.8-63.2000112.4R333 L337 V360 E361 R366 D367 W368R333-F364 HydrophobicContact CG-CE2 4.23Å; R333-F364 HydrophobicContact CG-CZ 4.35Å; L337-F364 HydrophobicContact CD1-CE2 4.3Å; L337-F364 HydrophobicContact CD1-CZ 3.79Å; V360-F364 HydrophobicContact CG1-CD2 3.75Å; V360-F364 HydrophobicContact CG1-CE2 3.53Å; V360-F364 WeakPolarHBondContact O-CD2 3.38Å; V360-F364 PolarHBondContact O-N 3.16Å; E361-F364 PolarHBondContact O-N 2.91Å; F364-R366 VanDerWaalsContact C-N 3.26Å; F364-R366 PolarHBondContact O-N 2.81Å; F364-D367 PolarHBondContact O-N 3.45Å; F364-W368 WeakPolarHBondContact O-CB 3.47Å; F364-W368 PolarHBondContact O-N 3.36Å
365S82.3Confident80.4Confident60 Ų6072.2 Ų72.242%0.4235%0.346SS..Hα-helixtrans-59.3-39.6178.7-62.20000111.6E361 L369E361-S365 WeakPolarHBondContact O-CB 3.34Å; E361-S365 PolarHBondContact O-N 3.37Å; E361-S365 PolarHBondContact O-OG 3.05Å; S365-L369 WeakPolarHBondContact O-CB 3.43Å; S365-L369 VanDerWaalsContact O-CG 3.26Å; S365-L369 WeakPolarHBondContact O-CG 3.25Å; S365-L369 PolarHBondContact O-N 3.06Å
366R81.1Confident81.6Confident102 Ų10270.6 Ų70.639%0.38534%0.336SS..Hα-helixtrans-70.5-43.6179.2-74.117671.61597.2112.9A326 E362 S363 F364 W368 L369 K370A326-R366 VanDerWaalsContact CB-NH2 3.33Å; E362-R366 WeakPolarHBondContact O-CB 3.26Å; E362-R366 WeakPolarHBondContact O-CG 3.2Å; E362-R366 PolarHBondContact O-N 3.33Å; S363-R366 PolarHBondContact O-N 3.35Å; F364-R366 VanDerWaalsContact C-N 3.26Å; F364-R366 PolarHBondContact O-N 2.81Å; R366-W368 VanDerWaalsContact C-N 3.34Å; R366-L369 PolarHBondContact O-N 2.87Å; R366-K370 PolarHBondContact O-N 3.39Å; R366-K370 VanDerWaalsContact O-N 3.13Å
367D82.2Confident82.4Confident35 Ų3573.5 Ų73.519%0.18736%0.355CS..Hα-helixtrans-65.3-42.4177.8-71.8-17.4000110.3R330 R333 S363 F364 L369 K370 E371R330-D367 IonicContact NH1-OD1 3.9Å; R333-D367 IonicContact CZ-OD2 3.67Å; R333-D367 IonicContact NH1-OD2 2.67Å; R333-D367 PolarHBondContact NH1-OD2 3.13Å; R333-D367 IonicContact NH2-OD2 3.9Å; S363-D367 PolarHBondContact O-N 3.36Å; S363-D367 VanDerWaalsContact O-N 3.1Å; F364-D367 PolarHBondContact O-N 3.45Å; D367-L369 PolarHBondContact O-N 3Å; D367-K370 WeakPolarHBondContact O-CB 3.42Å; D367-K370 PolarHBondContact O-N 2.93Å; D367-K370 VanDerWaalsContact O-N 3.09Å; D367-E371 PolarHBondContact O-N 3.09Å; D367-E371 VanDerWaalsContact O-N 3.1Å
368W83.8Confident83Confident118 Ų11877.4 Ų77.445%0.44737%0.366SS..Hα-helixtrans-58.9-44.8175-171.291.6000112.5F364 R366 K370 E371 N372F364-W368 WeakPolarHBondContact O-CB 3.47Å; F364-W368 PolarHBondContact O-N 3.36Å; R366-W368 VanDerWaalsContact C-N 3.34Å; W368-K370 VanDerWaalsContact C-N 3.27Å; W368-K370 PolarHBondContact O-N 2.67Å; W368-E371 PolarHBondContact O-N 3.39Å; W368-N372 HydrophobicContact CD2-CB 4.11Å; W368-N372 HydrophobicContact CE3-CB 4.3Å; W368-N372 HydrophobicContact CH2-CB 4.02Å; W368-N372 HydrophobicContact CZ2-CB 3.81Å; W368-N372 HydrophobicContact CZ3-CB 4.26Å; W368-N372 PolarHBondContact NE1-ND2 3.1Å; W368-N372 WeakPolarHBondContact O-CB 3.45Å; W368-N372 PolarHBondContact O-N 3.1Å; W368-N372 PolarHBondContact O-ND2 3.34Å
369L83.6Confident83.7Confident69 Ų6974.1 Ų74.136%0.36136%0.358SS..Hα-helixtrans-62.3-32.7176.6-77.5169.5000112.7S365 R366 D367 C373 N382S365-L369 WeakPolarHBondContact O-CB 3.43Å; S365-L369 VanDerWaalsContact O-CG 3.26Å; S365-L369 WeakPolarHBondContact O-CG 3.25Å; S365-L369 PolarHBondContact O-N 3.06Å; R366-L369 PolarHBondContact O-N 2.87Å; D367-L369 PolarHBondContact O-N 3Å; L369-C373 HydrophobicContact CD2-CB 4.46Å; L369-C373 VanDerWaalsContact O-CB 3.27Å; L369-C373 WeakPolarHBondContact O-CB 3.35Å; L369-C373 PolarHBondContact O-N 3.04Å; L369-N382 HydrophobicContact CD2-CB 4.35Å
370K79.2Confident84.2Confident170 Ų17075.7 Ų75.774%0.73938%0.375SS*.Hα-helixtrans-73.2-36.7179.3-173-177.4175.4-169.80112R366 D367 W368R366-K370 PolarHBondContact O-N 3.39Å; R366-K370 VanDerWaalsContact O-N 3.13Å; D367-K370 WeakPolarHBondContact O-CB 3.42Å; D367-K370 PolarHBondContact O-N 2.93Å; D367-K370 VanDerWaalsContact O-N 3.09Å; W368-K370 VanDerWaalsContact C-N 3.27Å; W368-K370 PolarHBondContact O-N 2.67Å
371E82.6Confident84.5Confident159 Ų15977 Ų7774%0.74338%0.384SS*.Hα-helixtrans-83.5-38.9-177.8-68.5179.3173.800112.5D367 W368D367-E371 PolarHBondContact O-N 3.09Å; D367-E371 VanDerWaalsContact O-N 3.1Å; W368-E371 PolarHBondContact O-N 3.39Å
372N84.5Confident84.8Confident63 Ų6374.4 Ų74.434%0.33737%0.374SS..Hα-helixtrans-102.9-14.3-168.8-64.8-83.5000114.2W368W368-N372 HydrophobicContact CD2-CB 4.11Å; W368-N372 HydrophobicContact CE3-CB 4.3Å; W368-N372 HydrophobicContact CH2-CB 4.02Å; W368-N372 HydrophobicContact CZ2-CB 3.81Å; W368-N372 HydrophobicContact CZ3-CB 4.26Å; W368-N372 PolarHBondContact NE1-ND2 3.1Å; W368-N372 WeakPolarHBondContact O-CB 3.45Å; W368-N372 PolarHBondContact O-N 3.1Å; W368-N372 PolarHBondContact O-ND2 3.34Å
373C87.4Confident85.2Confident18 Ų1871.2 Ų71.212%0.12236%0.359CS..EExtended strand (participates in β ladder)trans-122.4150.8-176.2-60.30000112.6L369 N382 I383L369-C373 HydrophobicContact CD2-CB 4.46Å; L369-C373 VanDerWaalsContact O-CB 3.27Å; L369-C373 WeakPolarHBondContact O-CB 3.35Å; L369-C373 PolarHBondContact O-N 3.04Å; C373-N382 HydrophobicContact CB-CB 4.02Å; C373-I383 WeakPolarHBondContact CA-O 3.37Å
374K88.6Confident85.6Confident65 Ų6575.7 Ų75.728%0.28338%0.38SS..EExtended strand (participates in β ladder)trans-122.7146.8166.6-57.7-172.1-171.6-176.40110.5I383 W403 L406K374-I383 PolarHBondContact N-O 2.82Å; K374-I383 PolarHBondContact O-N 2.88Å; K374-W403 HydrophobicContact CB-CE3 4.24Å; K374-W403 HydrophobicContact CB-CH2 3.82Å; K374-W403 HydrophobicContact CB-CZ2 4.41Å; K374-W403 HydrophobicContact CB-CZ3 3.72Å; K374-W403 HydrophobicContact CD-CD2 3.92Å; K374-W403 HydrophobicContact CD-CE3 4.1Å; K374-W403 HydrophobicContact CD-CH2 4.12Å; K374-W403 HydrophobicContact CD-CZ2 3.88Å; K374-W403 HydrophobicContact CD-CZ3 4.22Å; K374-W403 HydrophobicContact CG-CE3 4.38Å; K374-W403 HydrophobicContact CG-CH2 3.68Å; K374-W403 HydrophobicContact CG-CZ2 3.78Å; K374-W403 HydrophobicContact CG-CZ3 3.99Å; K374-W403 PolarHBondContact NZ-O 2.98Å; K374-L406 HydrophobicContact CB-CD2 3.85Å; K374-L406 HydrophobicContact CD-CD2 3.77Å; K374-L406 HydrophobicContact CD-CG 4.45Å; K374-L406 HydrophobicContact CG-CD2 4.44Å
375C88.8Confident85.8Confident60 Ų6072.9 Ų72.941%0.40537%0.367SS..EExtended strand (participates in β ladder)trans-82.1140.4-177.7-60.10000111.7
376C88.5Confident85.7Confident3 Ų376.2 Ų76.22%0.0239%0.385CS..  trans-63130.6171.4177.50000110.6R378 G380 T381 C394C376-R378 PolarHBondContact O-N 3.03Å; C376-R378 VanDerWaalsContact O-N 3.08Å; C376-G380 WeakPolarHBondContact O-CA 3.29Å; C376-G380 PolarHBondContact O-N 2.91Å; C376-T381 PolarHBondContact N-O 2.83Å; C376-C394 HydrophobicContact CB-CB 4.2Å
377P90.4Very high85.5Confident63 Ų6377.2 Ų77.241%0.40940%0.398SS..THydrogen-bonded Turntrans-66.6-13.6-178.127.1-37.2000114.4F401 L406 A408P377-F401 HydrophobicContact CG-CB 3.72Å; P377-F401 HydrophobicContact CG-CG 4.22Å; P377-L406 VanDerWaalsContact CB-O 3.25Å; P377-L406 WeakPolarHBondContact CB-O 3.39Å; P377-L406 VanDerWaalsContact CG-O 3.29Å; P377-L406 WeakPolarHBondContact CG-O 3.22Å; P377-A408 HydrophobicContact CG-CB 4.49Å
378R88.3Confident85.5Confident175 Ų17576.8 Ų76.866%0.6640%0.401SS*.THydrogen-bonded Turntrans-97.7-42.3-178.5-166.7175.8-154.7-108.5-1.5113.5C376 Q399C376-R378 PolarHBondContact O-N 3.03Å; C376-R378 VanDerWaalsContact O-N 3.08Å; R378-Q399 HydrophobicContact CB-CB 4.23Å; R378-Q399 HydrophobicContact CB-CG 4.16Å
379C87.6Confident85.7Confident56 Ų5672.6 Ų72.638%0.37839%0.39SS..THydrogen-bonded Turntrans-125.9-1.3-171.666.50000114.4T381 C397C379-T381 PolarHBondContact O-N 3.47Å; C379-T381 VanDerWaalsContact O-N 3.16Å; C379-T381 PolarHBondContact SG-OG1 3.21Å; C379-C397 HydrophobicContact CB-CB 4.16Å
380G84.5Confident86Confident42 Ų4269.3 Ų69.343%0.43337%0.373SS..  trans74.1-2.9176.800000115.8C376 N382C376-G380 WeakPolarHBondContact O-CA 3.29Å; C376-G380 PolarHBondContact O-N 2.91Å; G380-N382 PolarHBondContact O-N 3.45Å
381T87.1Confident86.6Confident46 Ų4663.1 Ų63.128%0.28235%0.346SS..  trans-59.5130178-51.70000111C376 C379 I383C376-T381 PolarHBondContact N-O 2.83Å; C379-T381 PolarHBondContact O-N 3.47Å; C379-T381 VanDerWaalsContact O-N 3.16Å; C379-T381 PolarHBondContact SG-OG1 3.21Å; T381-I383 HydrophobicContact CG2-CD1 4.26Å; T381-I383 PolarHBondContact O-N 3.49Å
382N88.5Confident87Confident74 Ų7456.7 Ų56.740%0.39632%0.316SS..EExtended strand (participates in β ladder)trans-65.5125.3173.1-65.969000110.1L369 C373 G380L369-N382 HydrophobicContact CD2-CB 4.35Å; C373-N382 HydrophobicContact CB-CB 4.02Å; G380-N382 PolarHBondContact O-N 3.45Å
383I88.6Confident87.3Confident12 Ų1256.4 Ų56.46%0.06232%0.317CS..EExtended strand (participates in β ladder)trans-120.5129.1178.1-56.8-62.5000107.7C373 K374 T381 M392 T395 F401 W403C373-I383 WeakPolarHBondContact CA-O 3.37Å; K374-I383 PolarHBondContact N-O 2.82Å; K374-I383 PolarHBondContact O-N 2.88Å; T381-I383 HydrophobicContact CG2-CD1 4.26Å; T381-I383 PolarHBondContact O-N 3.49Å; I383-M392 HydrophobicContact CG2-CE 3.75Å; I383-T395 HydrophobicContact CD1-CG2 4.48Å; I383-T395 WeakPolarHBondContact CD1-OG1 3.29Å; I383-F401 HydrophobicContact CB-CZ 4.3Å; I383-F401 HydrophobicContact CG1-CE1 4.47Å; I383-F401 HydrophobicContact CG1-CZ 4.32Å; I383-F401 HydrophobicContact CG2-CZ 4.35Å; I383-W403 HydrophobicContact CG2-CZ3 4.45Å; I383-W403 VanDerWaalsContact O-CH2 3.23Å; I383-W403 WeakPolarHBondContact O-CH2 3.23Å; I383-W403 WeakPolarHBondContact O-CZ3 3.43Å
384Q88.9Confident87.4Confident97 Ų9755.6 Ų55.645%0.45331%0.311SS..EExtended strand (participates in β ladder)trans-90.3139.2169.3-174-179.214.400109.2
385K85.7Confident87.5Confident44 Ų4457.1 Ų57.119%0.19133%0.326CS..  trans-90.3118.7167.3-174.9-172.1178.4-151.50107.3G388 N390 M392 W403K385-G388 WeakPolarHBondContact CE-O 3.27Å; K385-G388 PolarHBondContact NZ-O 3.22Å; K385-N390 PolarHBondContact NZ-OD1 2.94Å; K385-M392 HydrophobicContact CB-CE 4.04Å; K385-M392 HydrophobicContact CG-CE 4.27Å; K385-M392 HydrophobicContact CG-SD 4.19Å; K385-W403 HydrophobicContact CB-CD2 4.03Å; K385-W403 HydrophobicContact CB-CE3 4.31Å; K385-W403 HydrophobicContact CB-CH2 3.74Å; K385-W403 HydrophobicContact CB-CZ2 3.45Å; K385-W403 VanDerWaalsContact CB-CZ2 3.45Å; K385-W403 HydrophobicContact CB-CZ3 4.16Å; K385-W403 HydrophobicContact CD-CD2 4.26Å; K385-W403 HydrophobicContact CD-CG 4.1Å
386V80.5Confident87.6Confident129 Ų12958.1 Ų58.178%0.78233%0.334SS*.  trans-91.6-53.8177.9179.50000109.5
387D75.8Confident87.7Confident123 Ų12359.6 Ų59.666%0.65834%0.344SS*.SBendtrans-162.6167.4177.8-170.917.5000110.3
388G83.4Confident87.7Confident26 Ų2663 Ų6327%0.26835%0.352SS..SBendtrans95.7-167.6171.300000115.1K385 V433K385-G388 WeakPolarHBondContact CE-O 3.27Å; K385-G388 PolarHBondContact NZ-O 3.22Å; G388-V433 WeakPolarHBondContact O-CG2 3.35Å
389C87.8Confident87.9Confident30 Ų3055.5 Ų55.520%0.20332%0.324CS..  trans-66.8158.2-171.173.60000113.8K391 L429 F430C389-K391 PolarHBondContact O-N 2.92Å; C389-L429 CarbonylContact C-O 3.58Å; C389-L429 WeakPolarHBondContact CA-O 3.14Å; C389-L429 HydrophobicContact CB-CD1 3.79Å; C389-L429 HydrophobicContact CB-CG 3.95Å; C389-F430 HydrophobicContact CB-CD1 3.92Å; C389-F430 HydrophobicContact CB-CE1 3.6Å; C389-F430 HydrophobicContact CB-CZ 4.21Å
390N89.2Confident88.1Confident1 Ų156.2 Ų56.21%0.00532%0.32CS..SBendtrans-70.63.3179.3-69.8-41.1000114.2K385 M392 C402 W403 L404 F418 Q428 L429 H431K385-N390 PolarHBondContact NZ-OD1 2.94Å; N390-M392 PolarHBondContact O-N 3.33Å; N390-C402 CarbonylContact O-C 3.56Å; N390-C402 WeakPolarHBondContact O-CA 3.29Å; N390-W403 HydrophobicContact CB-CB 4.27Å; N390-W403 PolarHBondContact O-N 3.2Å; N390-L404 HydrophobicContact CB-CD1 4.41Å; N390-L404 HydrophobicContact CB-CG 4.2Å; N390-F418 HydrophobicContact CB-CE1 3.97Å; N390-F418 HydrophobicContact CB-CZ 4.06Å; N390-Q428 PolarHBondContact ND2-O 3.17Å; N390-L429 WeakPolarHBondContact CB-O 2.99Å; N390-L429 PolarHBondContact N-O 3.04Å; N390-L429 PolarHBondContact ND2-O 3.36Å; N390-H431 PolarHBondContact ND2-O 3.36Å
391K91.1Very high88.6Confident40 Ų4054.2 Ų54.217%0.17430%0.299CS..EExtended strand (participates in β ladder)trans-8998169.5174.6-115.9166-170.90109.5C389 L409 P414 Y415 F418 L429C389-K391 PolarHBondContact O-N 2.92Å; K391-L409 HydrophobicContact CB-CD1 4.24Å; K391-L409 HydrophobicContact CG-CD1 3.77Å; K391-P414 HydrophobicContact CD-CB 4.4Å; K391-P414 HydrophobicContact CG-CB 4.15Å; K391-Y415 HydrophobicContact CB-CE1 4.42Å; K391-Y415 HydrophobicContact CD-CE1 4.16Å; K391-F418 HydrophobicContact CB-CE2 4.03Å; K391-L429 HydrophobicContact CB-CD1 4.11Å
392M91.7Very high88.8Confident23 Ų2352 Ų5211%0.11329%0.286CS..EExtended strand (participates in β ladder)trans-91.4153.6-177.7-64.1-64.4-75.500112.1I383 K385 N390 Y400 F401 W403I383-M392 HydrophobicContact CG2-CE 3.75Å; K385-M392 HydrophobicContact CB-CE 4.04Å; K385-M392 HydrophobicContact CG-CE 4.27Å; K385-M392 HydrophobicContact CG-SD 4.19Å; N390-M392 PolarHBondContact O-N 3.33Å; M392-Y400 WeakPolarHBondContact O-CA 3.17Å; M392-F401 HydrophobicContact CB-CD1 3.93Å; M392-F401 HydrophobicContact CB-CD2 4.26Å; M392-F401 HydrophobicContact CB-CE1 3.47Å; M392-F401 VanDerWaalsContact CB-CE1 3.47Å; M392-F401 HydrophobicContact CB-CE2 3.84Å; M392-F401 HydrophobicContact CB-CG 4.3Å; M392-F401 HydrophobicContact CB-CZ 3.42Å; M392-F401 VanDerWaalsContact CB-CZ 3.42Å; M392-F401 HydrophobicContact CG-CE2 4.31Å; M392-F401 HydrophobicContact CG-CZ 4.15Å; M392-F401 PolarHBondContact N-O 3.32Å; M392-F401 PolarHBondContact O-N 3.09Å; M392-W403 HydrophobicContact CE-CE3 4.08Å; M392-W403 HydrophobicContact CE-CZ3 4.14Å; M392-W403 HydrophobicContact CG-CB 3.81Å; M392-W403 HydrophobicContact CG-CD2 4.3Å; M392-W403 HydrophobicContact CG-CE3 3.79Å; M392-W403 HydrophobicContact CG-CG 4.37Å; M392-W403 HydrophobicContact SD-CE3 4.45Å
393T91.1Very high88.9Confident58 Ų5849.9 Ų49.936%0.35627%0.272SS..EExtended strand (participates in β ladder)trans-122.8121.1174.1-52.20000109T395 Y400T393-T395 PolarHBondContact O-N 2.93Å; T393-Y400 HydrophobicContact CG2-CD1 3.84Å; T393-Y400 HydrophobicContact CG2-CE1 3.68Å; T393-Y400 VanDerWaalsContact OG1-CD1 3.28Å; T393-Y400 WeakPolarHBondContact OG1-CD1 3.47Å; T393-Y400 WeakPolarHBondContact OG1-CE1 3.48Å
394C90.6Very high88.9Confident0 Ų052 Ų520%028%0.283CS..  trans-64.1129177.5179.60000110.9C376 S396 C397 K398 Q399 F401C376-C394 HydrophobicContact CB-CB 4.2Å; C394-S396 VanDerWaalsContact C-N 3.32Å; C394-S396 PolarHBondContact O-N 2.92Å; C394-C397 PolarHBondContact SG-N 3.42Å; C394-K398 WeakPolarHBondContact O-CA 3.42Å; C394-K398 PolarHBondContact O-N 3.12Å; C394-Q399 PolarHBondContact N-O 2.69Å; C394-F401 HydrophobicContact CB-CE1 4.49Å
395T90.1Very high88.9Confident97 Ų9749.9 Ų49.960%0.59528%0.279SS*.THydrogen-bonded Turntrans-64.9-36.2-179.949.50000112.6I383 T393 K398I383-T395 HydrophobicContact CD1-CG2 4.48Å; I383-T395 WeakPolarHBondContact CD1-OG1 3.29Å; T393-T395 PolarHBondContact O-N 2.93Å; T395-K398 WeakPolarHBondContact O-CE 3.48Å; T395-K398 PolarHBondContact O-NZ 3.42Å
396S90.9Very high89.1Confident81 Ų8151 Ų5157%0.56629%0.286SS*.THydrogen-bonded Turntrans-79.7-63.3-179.41770000112.7C394C394-S396 VanDerWaalsContact C-N 3.32Å; C394-S396 PolarHBondContact O-N 2.92Å
397C90.9Very high89.5Confident34 Ų3446.1 Ų46.123%0.2326%0.262CS..THydrogen-bonded Turntrans-96-0.5-17275.10000115.2C379 C394 Q399C379-C397 HydrophobicContact CB-CB 4.16Å; C394-C397 PolarHBondContact SG-N 3.42Å; C397-Q399 PolarHBondContact O-N 2.78Å; C397-Q399 VanDerWaalsContact SG-CB 3.52Å
398K90.7Very high90.2Very high134 Ų13443.6 Ų43.658%0.58326%0.259SS*.  trans56.416.9-178.4-51.3-55.9-172.4-1640115.3C394 T395C394-K398 WeakPolarHBondContact O-CA 3.42Å; C394-K398 PolarHBondContact O-N 3.12Å; T395-K398 WeakPolarHBondContact O-CE 3.48Å; T395-K398 PolarHBondContact O-NZ 3.42Å
399Q91.1Very high90.5Very high18 Ų1842.9 Ų42.98%0.08425%0.248CC..  trans-72133.7174.1-178.65743.900110.5R378 C394 C397 L409R378-Q399 HydrophobicContact CB-CB 4.23Å; R378-Q399 HydrophobicContact CB-CG 4.16Å; C394-Q399 PolarHBondContact N-O 2.69Å; C397-Q399 PolarHBondContact O-N 2.78Å; C397-Q399 VanDerWaalsContact SG-CB 3.52Å; Q399-L409 PolarHBondContact NE2-O 3.33Å
400Y92.9Very high90.5Very high71 Ų7144.3 Ų44.328%0.27826%0.259SS..EExtended strand (participates in β ladder)trans-78.5137.3169.3-57-45.6000110.2M392 T393 L409 P414M392-Y400 WeakPolarHBondContact O-CA 3.17Å; T393-Y400 HydrophobicContact CG2-CD1 3.84Å; T393-Y400 HydrophobicContact CG2-CE1 3.68Å; T393-Y400 VanDerWaalsContact OG1-CD1 3.28Å; T393-Y400 WeakPolarHBondContact OG1-CD1 3.47Å; T393-Y400 WeakPolarHBondContact OG1-CE1 3.48Å; Y400-L409 PolarHBondContact O-N 3.44Å; Y400-P414 HydrophobicContact CD2-CB 4.25Å; Y400-P414 HydrophobicContact CD2-CG 3.61Å; Y400-P414 HydrophobicContact CE2-CG 3.96Å; Y400-P414 HydrophobicContact CG-CG 4.3Å
401F93.5Very high90.3Very high0 Ų050.8 Ų50.80%029%0.287CS..EExtended strand (participates in β ladder)trans-147.9157.6176.871.3-80.9000111P377 I383 M392 C394 W403 L406 G407 L409P377-F401 HydrophobicContact CG-CB 3.72Å; P377-F401 HydrophobicContact CG-CG 4.22Å; I383-F401 HydrophobicContact CB-CZ 4.3Å; I383-F401 HydrophobicContact CG1-CE1 4.47Å; I383-F401 HydrophobicContact CG1-CZ 4.32Å; I383-F401 HydrophobicContact CG2-CZ 4.35Å; M392-F401 HydrophobicContact CB-CD1 3.93Å; M392-F401 HydrophobicContact CB-CD2 4.26Å; M392-F401 HydrophobicContact CB-CE1 3.47Å; M392-F401 VanDerWaalsContact CB-CE1 3.47Å; M392-F401 HydrophobicContact CB-CE2 3.84Å; M392-F401 HydrophobicContact CB-CG 4.3Å; M392-F401 HydrophobicContact CB-CZ 3.42Å; M392-F401 VanDerWaalsContact CB-CZ 3.42Å; M392-F401 HydrophobicContact CG-CE2 4.31Å; M392-F401 HydrophobicContact CG-CZ 4.15Å; M392-F401 PolarHBondContact N-O 3.32Å; M392-F401 PolarHBondContact O-N 3.09Å; C394-F401 HydrophobicContact CB-CE1 4.49Å; F401-W403 HydrophobicContact CE2-CE3 4.1Å; F401-W403 HydrophobicContact CZ-CE3 4.39Å; F401-L406 HydrophobicContact CD2-CD2 4.25Å; F401-L406 HydrophobicContact CE2-CD2 4.08Å; F401-G407 CarbonylContact C-O 3.55Å; F401-G407 VanDerWaalsContact CA-O 3.22Å; F401-G407 WeakPolarHBondContact CA-O 3.28Å; F401-G407 WeakPolarHBondContact CB-O 3.41Å; F401-L409 VanDerWaalsContact C-CD1 3.47Å
402C91.7Very high90.1Very high0 Ų055.5 Ų55.50%032%0.319CS..EExtended strand (participates in β ladder)trans-85.9130.7175.5178.70000110.3N390 L404 C405 L406 G407 L409 F418N390-C402 CarbonylContact O-C 3.56Å; N390-C402 WeakPolarHBondContact O-CA 3.29Å; C402-L404 VanDerWaalsContact C-N 3.29Å; C402-L404 PolarHBondContact O-N 3.06Å; C402-C405 VanDerWaalsContact CB-SG 3.54Å; C402-L406 WeakPolarHBondContact O-CA 3.33Å; C402-L406 PolarHBondContact O-N 3.09Å; C402-G407 PolarHBondContact N-O 3.01Å; C402-L409 HydrophobicContact CB-CD2 4.24Å; C402-L409 HydrophobicContact CB-CG 4.49Å; C402-F418 HydrophobicContact CB-CZ 4.16Å; C402-F418 VanDerWaalsContact SG-CZ 3.58Å
403W91.1Very high89.8Confident29 Ų2958.3 Ų58.311%0.1133%0.334CS..THydrogen-bonded Turntrans-67.7-28.2179.4-173.6-110.2000113.5K374 I383 K385 N390 M392 F401K374-W403 HydrophobicContact CB-CE3 4.24Å; K374-W403 HydrophobicContact CB-CH2 3.82Å; K374-W403 HydrophobicContact CB-CZ2 4.41Å; K374-W403 HydrophobicContact CB-CZ3 3.72Å; K374-W403 HydrophobicContact CD-CD2 3.92Å; K374-W403 HydrophobicContact CD-CE3 4.1Å; K374-W403 HydrophobicContact CD-CH2 4.12Å; K374-W403 HydrophobicContact CD-CZ2 3.88Å; K374-W403 HydrophobicContact CD-CZ3 4.22Å; K374-W403 HydrophobicContact CG-CE3 4.38Å; K374-W403 HydrophobicContact CG-CH2 3.68Å; K374-W403 HydrophobicContact CG-CZ2 3.78Å; K374-W403 HydrophobicContact CG-CZ3 3.99Å; K374-W403 PolarHBondContact NZ-O 2.98Å; I383-W403 HydrophobicContact CG2-CZ3 4.45Å; I383-W403 VanDerWaalsContact O-CH2 3.23Å; I383-W403 WeakPolarHBondContact O-CH2 3.23Å; I383-W403 WeakPolarHBondContact O-CZ3 3.43Å; K385-W403 HydrophobicContact CB-CD2 4.03Å; K385-W403 HydrophobicContact CB-CE3 4.31Å; K385-W403 HydrophobicContact CB-CH2 3.74Å; K385-W403 HydrophobicContact CB-CZ2 3.45Å; K385-W403 VanDerWaalsContact CB-CZ2 3.45Å; K385-W403 HydrophobicContact CB-CZ3 4.16Å; K385-W403 HydrophobicContact CD-CD2 4.26Å; K385-W403 HydrophobicContact CD-CG 4.1Å; N390-W403 HydrophobicContact CB-CB 4.27Å; N390-W403 PolarHBondContact O-N 3.2Å; M392-W403 HydrophobicContact CE-CE3 4.08Å; M392-W403 HydrophobicContact CE-CZ3 4.14Å; M392-W403 HydrophobicContact CG-CB 3.81Å; M392-W403 HydrophobicContact CG-CD2 4.3Å; M392-W403 HydrophobicContact CG-CE3 3.79Å; M392-W403 HydrophobicContact CG-CG 4.37Å; M392-W403 HydrophobicContact SD-CE3 4.45Å; F401-W403 HydrophobicContact CE2-CE3 4.1Å; F401-W403 HydrophobicContact CZ-CE3 4.39Å
404L88.6Confident89.5Confident57 Ų5756.3 Ų56.330%0.29832%0.322SS..THydrogen-bonded Turntrans-77.1-56.1-176.1-59.9174.1000111.1N390 C402 C425 Q428N390-L404 HydrophobicContact CB-CD1 4.41Å; N390-L404 HydrophobicContact CB-CG 4.2Å; C402-L404 VanDerWaalsContact C-N 3.29Å; C402-L404 PolarHBondContact O-N 3.06Å; L404-C425 HydrophobicContact CD1-CB 4.33Å; L404-Q428 HydrophobicContact CD1-CB 3.55Å
405C88.9Confident89.4Confident53 Ų5361 Ų6136%0.35834%0.34SS..THydrogen-bonded Turntrans-98-4.6-17568.50000114.4C402 G407 H417C402-C405 VanDerWaalsContact CB-SG 3.54Å; C405-G407 PolarHBondContact O-N 3.21Å; C405-G407 PolarHBondContact SG-N 2.96Å; C405-G407 VanDerWaalsContact SG-N 3.42Å; C405-H417 PolarHBondContact SG-NE2 3.45Å
406L90.1Very high89.4Confident67 Ų6758.8 Ų58.835%0.35133%0.329SS..  trans5716.8-173.8-58.2178000114.3K374 P377 F401 C402K374-L406 HydrophobicContact CB-CD2 3.85Å; K374-L406 HydrophobicContact CD-CD2 3.77Å; K374-L406 HydrophobicContact CD-CG 4.45Å; K374-L406 HydrophobicContact CG-CD2 4.44Å; P377-L406 VanDerWaalsContact CB-O 3.25Å; P377-L406 WeakPolarHBondContact CB-O 3.39Å; P377-L406 VanDerWaalsContact CG-O 3.29Å; P377-L406 WeakPolarHBondContact CG-O 3.22Å; F401-L406 HydrophobicContact CD2-CD2 4.25Å; F401-L406 HydrophobicContact CE2-CD2 4.08Å; C402-L406 WeakPolarHBondContact O-CA 3.33Å; C402-L406 PolarHBondContact O-N 3.09Å
407G88.3Confident89.2Confident27 Ų2756.8 Ų56.828%0.27831%0.311SS..PPolyproline II helixtrans-73.1139.3176.600000112.3F401 C402 C405 L409F401-G407 CarbonylContact C-O 3.55Å; F401-G407 VanDerWaalsContact CA-O 3.22Å; F401-G407 WeakPolarHBondContact CA-O 3.28Å; F401-G407 WeakPolarHBondContact CB-O 3.41Å; C402-G407 PolarHBondContact N-O 3.01Å; C405-G407 PolarHBondContact O-N 3.21Å; C405-G407 PolarHBondContact SG-N 2.96Å; C405-G407 VanDerWaalsContact SG-N 3.42Å; G407-L409 PolarHBondContact O-N 2.89Å
408A90.4Very high89.1Confident70 Ų7055.2 Ų55.258%0.57930%0.3SS*.BIsolated β-bridgetrans-68.1129.517300000110.8P377P377-A408 HydrophobicContact CG-CB 4.49Å
409L90.5Very high89Confident10 Ų1053.9 Ų53.95%0.05230%0.3CS..PPolyproline II helixtrans-94.1151.8179.3-61.2176.4000111.4K391 Q399 Y400 F401 C402 G407 P414 H417 F418K391-L409 HydrophobicContact CB-CD1 4.24Å; K391-L409 HydrophobicContact CG-CD1 3.77Å; Q399-L409 PolarHBondContact NE2-O 3.33Å; Y400-L409 PolarHBondContact O-N 3.44Å; F401-L409 VanDerWaalsContact C-CD1 3.47Å; C402-L409 HydrophobicContact CB-CD2 4.24Å; C402-L409 HydrophobicContact CB-CG 4.49Å; G407-L409 PolarHBondContact O-N 2.89Å; L409-P414 HydrophobicContact CB-CB 4.33Å; L409-P414 HydrophobicContact CD1-CB 4.4Å; L409-H417 HydrophobicContact CD2-CB 3.32Å; L409-H417 VanDerWaalsContact CD2-CG 3.5Å; L409-F418 HydrophobicContact CD1-CE2 4.2Å
410S87.3Confident88.8Confident61 Ų6156.5 Ų56.543%0.42731%0.314SS..PPolyproline II helixtrans-62.8140.5174.6176.50000111.2V412 N413 P414S410-V412 VanDerWaalsContact C-N 3.31Å; S410-V412 PolarHBondContact OG-N 2.98Å; S410-N413 PolarHBondContact OG-N 3.36Å; S410-P414 WeakPolarHBondContact O-CA 3.3Å; S410-P414 VanDerWaalsContact O-CG 3.29Å; S410-P414 WeakPolarHBondContact O-CG 3.41Å
411K84.8Confident88.5Confident137 Ų13757.6 Ų57.660%0.59633%0.33SS*.SBendtrans-72.3-25.5173.3-68.6-173177.6-174.80113.1
412V86.5Confident88.1Confident139 Ų13965.8 Ų65.884%0.84237%0.368SS*.SBendtrans-84.6-42.3-177-175.90000110.9S410S410-V412 VanDerWaalsContact C-N 3.31Å; S410-V412 PolarHBondContact OG-N 2.98Å
413N86.1Confident87.8Confident82 Ų8266.6 Ų66.644%0.43937%0.373SS..  trans-141.783.2177.1-170.40.3000112S410 Y415 S416S410-N413 PolarHBondContact OG-N 3.36Å; N413-Y415 VanDerWaalsContact C-N 3.28Å; N413-Y415 PolarHBondContact O-N 3.48Å; N413-S416 PolarHBondContact O-N 3.22Å; N413-S416 PolarHBondContact O-OG 3.47Å; N413-S416 PolarHBondContact OD1-N 2.84Å
414P85.3Confident87.5Confident15 Ų1570.3 Ų70.310%0.09740%0.401CS..THydrogen-bonded Turntrans-64.6-28.5-177.2-18.529000113.9K391 Y400 L409 S410K391-P414 HydrophobicContact CD-CB 4.4Å; K391-P414 HydrophobicContact CG-CB 4.15Å; Y400-P414 HydrophobicContact CD2-CB 4.25Å; Y400-P414 HydrophobicContact CD2-CG 3.61Å; Y400-P414 HydrophobicContact CE2-CG 3.96Å; Y400-P414 HydrophobicContact CG-CG 4.3Å; L409-P414 HydrophobicContact CB-CB 4.33Å; L409-P414 HydrophobicContact CD1-CB 4.4Å; S410-P414 WeakPolarHBondContact O-CA 3.3Å; S410-P414 VanDerWaalsContact O-CG 3.29Å; S410-P414 WeakPolarHBondContact O-CG 3.41Å
415Y88.2Confident87.5Confident98 Ų9867.8 Ų67.838%0.38439%0.389SS..THydrogen-bonded Turntrans-82.3-14.7-174.7-61.6-79.7000113.6K391 N413 H417 F418 N419 L429K391-Y415 HydrophobicContact CB-CE1 4.42Å; K391-Y415 HydrophobicContact CD-CE1 4.16Å; N413-Y415 VanDerWaalsContact C-N 3.28Å; N413-Y415 PolarHBondContact O-N 3.48Å; Y415-H417 PolarHBondContact O-N 2.74Å; Y415-H417 VanDerWaalsContact O-N 3.11Å; Y415-F418 PolarHBondContact O-N 3.34Å; Y415-N419 PolarHBondContact O-N 3.36Å; Y415-L429 HydrophobicContact CD1-CD1 4.07Å; Y415-L429 HydrophobicContact CD1-CD2 3.79Å; Y415-L429 HydrophobicContact CE1-CD1 4.13Å; Y415-L429 HydrophobicContact CE1-CD2 3.99Å
416S88.9Confident87.6Confident52 Ų5268.9 Ų68.936%0.36439%0.387SS..Hα-helixtrans-53.9-31.7175.360.40000113.3N413 F418 N419 N420N413-S416 PolarHBondContact O-N 3.22Å; N413-S416 PolarHBondContact O-OG 3.47Å; N413-S416 PolarHBondContact OD1-N 2.84Å; S416-F418 VanDerWaalsContact C-N 3.27Å; S416-F418 PolarHBondContact O-N 2.83Å; S416-N419 PolarHBondContact O-N 2.98Å; S416-N420 VanDerWaalsContact O-CB 3.3Å; S416-N420 WeakPolarHBondContact O-CB 3.3Å; S416-N420 PolarHBondContact O-N 2.92Å
417H87.1Confident87.4Confident39 Ų3971.5 Ų71.518%0.18140%0.401CS..Hα-helixtrans-63.4-29.7175.9178.771.9000113.4C405 L409 Y415 S423 C425C405-H417 PolarHBondContact SG-NE2 3.45Å; L409-H417 HydrophobicContact CD2-CB 3.32Å; L409-H417 VanDerWaalsContact CD2-CG 3.5Å; Y415-H417 PolarHBondContact O-N 2.74Å; Y415-H417 VanDerWaalsContact O-N 3.11Å; H417-S423 PolarHBondContact CE1-OG 3.37Å; H417-S423 PolarHBondContact ND1-OG 2.79Å; H417-S423 VanDerWaalsContact ND1-OG 3.12Å; H417-S423 WeakPolarHBondContact O-CB 3.41Å; H417-S423 PolarHBondContact O-OG 3.02Å; H417-C425 WeakPolarHBondContact NE2-CB 3.42Å
418F89.4Confident87.4Confident0 Ų073.3 Ų73.30%040%0.403CS..Hα-helixtrans-92.3-20178.4-60.2-84.7000112.3N390 K391 C402 L409 Y415 S416 C425 F426 N427 L429N390-F418 HydrophobicContact CB-CE1 3.97Å; N390-F418 HydrophobicContact CB-CZ 4.06Å; K391-F418 HydrophobicContact CB-CE2 4.03Å; C402-F418 HydrophobicContact CB-CZ 4.16Å; C402-F418 VanDerWaalsContact SG-CZ 3.58Å; L409-F418 HydrophobicContact CD1-CE2 4.2Å; Y415-F418 PolarHBondContact O-N 3.34Å; S416-F418 VanDerWaalsContact C-N 3.27Å; S416-F418 PolarHBondContact O-N 2.83Å; F418-C425 HydrophobicContact CD1-CB 4.28Å; F418-C425 WeakPolarHBondContact CD1-O 3.48Å; F418-C425 HydrophobicContact CE1-CB 4.25Å; F418-F426 CarbonylContact O-C 3.58Å; F418-F426 WeakPolarHBondContact O-CA 3.43Å; F418-F426 VanDerWaalsContact O-CD2 3.3Å; F418-F426 WeakPolarHBondContact O-CD2 3.12Å; F418-N427 PolarHBondContact O-N 3.07Å; F418-L429 HydrophobicContact CB-CB 4.11Å; F418-L429 HydrophobicContact CD1-CB 3.94Å; F418-L429 HydrophobicContact CD1-CD1 4.2Å; F418-L429 HydrophobicContact CD2-CD1 3.69Å; F418-L429 HydrophobicContact CE1-CD1 4.22Å; F418-L429 HydrophobicContact CE2-CD1 3.72Å; F418-L429 HydrophobicContact CG-CB 3.95Å; F418-L429 HydrophobicContact CG-CD1 3.92Å; F418-L429 HydrophobicContact CG-CG 4.5Å; F418-L429 HydrophobicContact CZ-CD1 3.99Å
419N87.9Confident87.2Confident107 Ų10771.4 Ų71.457%0.57238%0.383SS*.Hα-helixtrans-98.6-4-178.1-63.5-13.9000113.6Y415 S416 F426Y415-N419 PolarHBondContact O-N 3.36Å; S416-N419 PolarHBondContact O-N 2.98Å; N419-F426 WeakPolarHBondContact O-CE2 3.27Å
420N87.3Confident87Confident72 Ų7277.3 Ų77.339%0.38541%0.408SS..  trans-93.8120.2179.3-173.4-13.5000110.9S416 H422 S423 F426S416-N420 VanDerWaalsContact O-CB 3.3Å; S416-N420 WeakPolarHBondContact O-CB 3.3Å; S416-N420 PolarHBondContact O-N 2.92Å; N420-H422 PolarHBondContact O-N 3.11Å; N420-H422 WeakPolarHBondContact OD1-CB 3.46Å; N420-H422 PolarHBondContact OD1-N 3.3Å; N420-H422 PolarHBondContact OD1-ND1 3.14Å; N420-S423 VanDerWaalsContact O-CB 3.29Å; N420-S423 WeakPolarHBondContact O-CB 3.34Å; N420-S423 PolarHBondContact O-N 3.14Å; N420-F426 WeakPolarHBondContact O-CB 3.14Å; N420-F426 VanDerWaalsContact O-CD2 3.27Å; N420-F426 WeakPolarHBondContact O-CD2 3.38Å
421P86.1Confident86.7Confident94 Ų9480 Ų8061%0.6141%0.414SS*.THydrogen-bonded Turntrans-57.4-21.2177-26.335.1000115S423 F426P421-S423 VanDerWaalsContact C-N 3.33Å; P421-F426 HydrophobicContact CG-CE2 4.06Å; P421-F426 HydrophobicContact CG-CZ 4.15Å
422H84.9Confident86.1Confident172 Ų17276.3 Ų76.380%0.79642%0.415SS*.THydrogen-bonded Turntrans-86.1-3.4178.3-59.683.8000113.4N420N420-H422 PolarHBondContact O-N 3.11Å; N420-H422 WeakPolarHBondContact OD1-CB 3.46Å; N420-H422 PolarHBondContact OD1-N 3.3Å; N420-H422 PolarHBondContact OD1-ND1 3.14Å
423S85.6Confident85.3Confident17 Ų1771.2 Ų71.212%0.11938%0.384CS..SBendtrans-86.2140.4178.3179.60000110.9H417 N420 P421 C425 F426H417-S423 PolarHBondContact CE1-OG 3.37Å; H417-S423 PolarHBondContact ND1-OG 2.79Å; H417-S423 VanDerWaalsContact ND1-OG 3.12Å; H417-S423 WeakPolarHBondContact O-CB 3.41Å; H417-S423 PolarHBondContact O-OG 3.02Å; N420-S423 VanDerWaalsContact O-CB 3.29Å; N420-S423 WeakPolarHBondContact O-CB 3.34Å; N420-S423 PolarHBondContact O-N 3.14Å; P421-S423 VanDerWaalsContact C-N 3.33Å; S423-C425 PolarHBondContact O-N 3.41Å; S423-C425 VanDerWaalsContact O-N 3.09Å; S423-C425 PolarHBondContact OG-N 3.46Å; S423-F426 PolarHBondContact O-N 3.48Å
424P85.1Confident84Confident107 Ų10774.1 Ų74.170%0.69540%0.399SS*.THydrogen-bonded Turntrans-64.1-13.6174.428.4-36.2000113.3
425C89.3Confident82.7Confident5 Ų578.8 Ų78.83%0.03443%0.427CS..THydrogen-bonded Turntrans-11325180-55.80000112.8L404 H417 F418 S423 N427 Q428L404-C425 HydrophobicContact CD1-CB 4.33Å; H417-C425 WeakPolarHBondContact NE2-CB 3.42Å; F418-C425 HydrophobicContact CD1-CB 4.28Å; F418-C425 WeakPolarHBondContact CD1-O 3.48Å; F418-C425 HydrophobicContact CE1-CB 4.25Å; S423-C425 PolarHBondContact O-N 3.41Å; S423-C425 VanDerWaalsContact O-N 3.09Å; S423-C425 PolarHBondContact OG-N 3.46Å; C425-N427 PolarHBondContact O-N 3.2Å; C425-Q428 PolarHBondContact O-N 3.48Å; C425-Q428 VanDerWaalsContact O-N 3.14Å
426F90.1Very high80.8Confident76 Ų7681.7 Ų81.733%0.33345%0.449SS..THydrogen-bonded Turntrans-56.9130.9177.2-179.7-115.6000111.7F418 N419 N420 P421 S423 Q428F418-F426 CarbonylContact O-C 3.58Å; F418-F426 WeakPolarHBondContact O-CA 3.43Å; F418-F426 VanDerWaalsContact O-CD2 3.3Å; F418-F426 WeakPolarHBondContact O-CD2 3.12Å; N419-F426 WeakPolarHBondContact O-CE2 3.27Å; N420-F426 WeakPolarHBondContact O-CB 3.14Å; N420-F426 VanDerWaalsContact O-CD2 3.27Å; N420-F426 WeakPolarHBondContact O-CD2 3.38Å; P421-F426 HydrophobicContact CG-CE2 4.06Å; P421-F426 HydrophobicContact CG-CZ 4.15Å; S423-F426 PolarHBondContact O-N 3.48Å; F426-Q428 PolarHBondContact O-N 3.26Å; F426-Q428 VanDerWaalsContact O-N 3.14Å
427N86.3Confident78.9Confident121 Ų12185.3 Ų85.365%0.64747%0.465SS*.THydrogen-bonded Turntrans56.717.1-175.2-74.5-16.6000116F418 C425F418-N427 PolarHBondContact O-N 3.07Å; C425-N427 PolarHBondContact O-N 3.2Å
428Q87.5Confident77.1Confident66 Ų6690.3 Ų90.331%0.30849%0.493SS..  trans-104.427.8180-60.6-162.815.800113.8N390 L404 C425 F426 F430 H431N390-Q428 PolarHBondContact ND2-O 3.17Å; L404-Q428 HydrophobicContact CD1-CB 3.55Å; C425-Q428 PolarHBondContact O-N 3.48Å; C425-Q428 VanDerWaalsContact O-N 3.14Å; F426-Q428 PolarHBondContact O-N 3.26Å; F426-Q428 VanDerWaalsContact O-N 3.14Å; Q428-F430 VanDerWaalsContact C-N 3.29Å; Q428-F430 PolarHBondContact O-N 3.49Å; Q428-H431 HydrophobicContact CB-CB 3.81Å; Q428-H431 HydrophobicContact CG-CB 4.22Å; Q428-H431 PolarHBondContact O-N 2.82Å
429L87Confident74.9Confident29 Ų2999.5 Ų99.515%0.15254%0.536CS..SBendtrans-62.6-36.3-179.1-178.461.5000112.5C389 N390 K391 Y415 F418C389-L429 CarbonylContact C-O 3.58Å; C389-L429 WeakPolarHBondContact CA-O 3.14Å; C389-L429 HydrophobicContact CB-CD1 3.79Å; C389-L429 HydrophobicContact CB-CG 3.95Å; N390-L429 WeakPolarHBondContact CB-O 2.99Å; N390-L429 PolarHBondContact N-O 3.04Å; N390-L429 PolarHBondContact ND2-O 3.36Å; K391-L429 HydrophobicContact CB-CD1 4.11Å; Y415-L429 HydrophobicContact CD1-CD1 4.07Å; Y415-L429 HydrophobicContact CD1-CD2 3.79Å; Y415-L429 HydrophobicContact CE1-CD1 4.13Å; Y415-L429 HydrophobicContact CE1-CD2 3.99Å; F418-L429 HydrophobicContact CB-CB 4.11Å; F418-L429 HydrophobicContact CD1-CB 3.94Å; F418-L429 HydrophobicContact CD1-CD1 4.2Å; F418-L429 HydrophobicContact CD2-CD1 3.69Å; F418-L429 HydrophobicContact CE1-CD1 4.22Å; F418-L429 HydrophobicContact CE2-CD1 3.72Å; F418-L429 HydrophobicContact CG-CB 3.95Å; F418-L429 HydrophobicContact CG-CD1 3.92Å; F418-L429 HydrophobicContact CG-CG 4.5Å; F418-L429 HydrophobicContact CZ-CD1 3.99Å
430F86.8Confident72.6Confident135 Ų135103.2 Ų103.259%0.59255%0.547SS*.SBendtrans-115.513.5179.9-60.6-78.8000113.1C389 Q428 G432 V433C389-F430 HydrophobicContact CB-CD1 3.92Å; C389-F430 HydrophobicContact CB-CE1 3.6Å; C389-F430 HydrophobicContact CB-CZ 4.21Å; Q428-F430 VanDerWaalsContact C-N 3.29Å; Q428-F430 PolarHBondContact O-N 3.49Å; F430-G432 PolarHBondContact O-N 2.82Å; F430-V433 HydrophobicContact CB-CG2 4.36Å; F430-V433 HydrophobicContact CD1-CG2 4.45Å; F430-V433 PolarHBondContact O-N 2.94Å
431H79.8Confident70.6Confident117 Ų117110.1 Ų110.154%0.54257%0.568SS.*THydrogen-bonded Turntrans-63.7123.9178.2-176.6-80000110.5N390 Q428N390-H431 PolarHBondContact ND2-O 3.36Å; Q428-H431 HydrophobicContact CB-CB 3.81Å; Q428-H431 HydrophobicContact CG-CB 4.22Å; Q428-H431 PolarHBondContact O-N 2.82Å
432G71.9Confident68.4Low60 Ų60110.8 Ų110.862%0.61958%0.575SS**THydrogen-bonded Turntrans71.930.6-176.600000113.9F430F430-G432 PolarHBondContact O-N 2.82Å
433V70.9Confident66.7Low31 Ų31109.2 Ų109.219%0.18857%0.572CS.*  trans-98.7115.6161.7-177.90000105.5G388 F430 V435G388-V433 WeakPolarHBondContact O-CG2 3.35Å; F430-V433 HydrophobicContact CB-CG2 4.36Å; F430-V433 HydrophobicContact CD1-CG2 4.45Å; F430-V433 PolarHBondContact O-N 2.94Å; V433-V435 PolarHBondContact O-N 3.35Å
434D59.4Low64.9Low143 Ų143118 Ų11877%0.76561%0.611SS**  trans-66.4113.5170.8-64.9-43.6000106.5D436D434-D436 PolarHBondContact O-N 3.17Å
435V56.3Low63.3Low113 Ų113121 Ų12169%0.68562%0.616SS**  trans-83.3101167-171.70000103.1V433 D437V433-V435 PolarHBondContact O-N 3.35Å; V435-D437 PolarHBondContact O-N 2.81Å
436D48.6Very low61.1Low159 Ų159132.1 Ų132.185%0.8568%0.676SS**  trans-61.191.7165.5-78-41.7000106.8D434D434-D436 PolarHBondContact O-N 3.17Å
437D48.9Very low59.6Low128 Ų128135 Ų13568%0.68469%0.693SS**  trans-71.3121.4162.4-82.7-31.8000106.8V435V435-D437 PolarHBondContact O-N 2.81Å
438D49.4Very low58.2Low145 Ų145135.7 Ų135.778%0.77570%0.695SS**  trans78.480.5158.7-50.7-40.6000119.3
439E43.8Very low56.6Low193 Ų193139.6 Ų139.690%0.90272%0.717SS**  trans-124.365.6139.2-139167.8-151.100108.9W441E439-W441 PolarHBondContact O-N 3.13Å
440F39.3Very low54.8Low184 Ų184146.1 Ų146.181%0.80775%0.75SS**  trans-71.4110.4169.6-177.7-96.4000108.4S442F440-S442 PolarHBondContact O-N 3.33Å; F440-S442 VanDerWaalsContact O-N 3.13Å
441W46.5Very low52.8Low217 Ų217146.8 Ų146.882%0.82276%0.76SS**  trans-33110.7169.7-60.983000112.2E439 D443E439-W441 PolarHBondContact O-N 3.13Å; W441-D443 PolarHBondContact O-N 3.22Å
442S39.5Very low51Low109 Ų109148.7 Ų148.776%0.76277%0.774SS**  trans-69.9108.1159.5560000107.2F440 E444F440-S442 PolarHBondContact O-N 3.33Å; F440-S442 VanDerWaalsContact O-N 3.13Å; S442-E444 PolarHBondContact O-N 3.17Å
443D48.7Very low49.5Very low138 Ų138155.1 Ų155.174%0.73879%0.785SS**  trans-50117.2164.4-73.4-43.9000109.5W441W441-D443 PolarHBondContact O-N 3.22Å
444E47.8Very low47.9Very low201 Ų201164.6 Ų164.694%0.93983%0.831SS**  trans-87.594.3153.7-79.4-172.8156.700107S442S442-E444 PolarHBondContact O-N 3.17Å
445E51Low46.9Very low171 Ų171166.4 Ų166.480%0.79984%0.837SS**  trans-96.8131.2156.2-81.5-17215800109.3
446D43.7Very low46.1Very low239 Ų239171.3 Ų171.3100%1.27885%0.851SS**  trans74.90162.7-66.8-25.7000121.7

Retrieved 446 of 446 residues in 1298.2 ms (Link to these results)

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