G4VC56_SCHMA Loading...

Venom allergen-like (VAL) 11 protein

AlphaFold DB , UniProt , Accession G4VC56, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 423 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
1M49.1Very low81.6Confident169 Ų16963.5 Ų63.583%0.83331%0.309SS*.  0124.80-125149.8-144.900106.1D5M1-D5 HydrophobicContact CB-CB 4.42Å; M1-D5 HydrophobicContact CG-CB 3.63Å
2S75Confident81.8Confident56 Ų5660 Ų6039%0.39229%0.291SS..  trans-74.3161.6174.969.90000110.2L4 D5 D6S2-L4 PolarHBondContact O-N 3.5Å; S2-L4 VanDerWaalsContact O-N 3.11Å; S2-L4 PolarHBondContact OG-N 2.83Å; S2-D5 WeakPolarHBondContact CB-OD2 3.45Å; S2-D5 PolarHBondContact N-OD2 3.29Å; S2-D5 PolarHBondContact O-N 3.29Å; S2-D5 PolarHBondContact OG-N 2.93Å; S2-D5 VanDerWaalsContact OG-N 3.14Å; S2-D5 PolarHBondContact OG-OD1 2.84Å; S2-D5 PolarHBondContact OG-OD2 3.42Å; S2-D6 PolarHBondContact O-N 2.8Å; S2-D6 VanDerWaalsContact O-N 3.15Å
3R82.9Confident81.2Confident160 Ų16061.7 Ų61.760%0.60429%0.293SS*.Hα-helixtrans-55.6-27.5172.8-176.4178.21781720.7112.3F7 D76R3-F7 PolarHBondContact O-N 3.15Å; R3-D76 IonicContact CZ-OD2 2.71Å; R3-D76 IonicContact NE-OD2 3.67Å; R3-D76 IonicContact NH2-OD2 2.64Å; R3-D76 PolarHBondContact NH2-OD2 3.04Å
4L89.8Confident81.6Confident41 Ų4157.5 Ų57.522%0.21527%0.273CS..Hα-helixtrans-76.1-37.1176.3-176.560.3000112.1S2 F7 R8 Q38 K120S2-L4 PolarHBondContact O-N 3.5Å; S2-L4 VanDerWaalsContact O-N 3.11Å; S2-L4 PolarHBondContact OG-N 2.83Å; L4-F7 HydrophobicContact CD1-CD1 4.26Å; L4-F7 WeakPolarHBondContact O-CB 3.21Å; L4-F7 PolarHBondContact O-N 3.09Å; L4-R8 WeakPolarHBondContact O-CG 3.3Å; L4-R8 PolarHBondContact O-N 2.78Å; L4-Q38 HydrophobicContact CD2-CG 4.3Å; L4-K120 HydrophobicContact CD1-CB 4.06Å
5D79.5Confident82.3Confident61 Ų6153.7 Ų53.733%0.32626%0.255SS..Hα-helixtrans-65.6-42.4176.4-58.5-34.9000111.3M1 S2 F7 R8 E9M1-D5 HydrophobicContact CB-CB 4.42Å; M1-D5 HydrophobicContact CG-CB 3.63Å; S2-D5 WeakPolarHBondContact CB-OD2 3.45Å; S2-D5 PolarHBondContact N-OD2 3.29Å; S2-D5 PolarHBondContact O-N 3.29Å; S2-D5 PolarHBondContact OG-N 2.93Å; S2-D5 VanDerWaalsContact OG-N 3.14Å; S2-D5 PolarHBondContact OG-OD1 2.84Å; S2-D5 PolarHBondContact OG-OD2 3.42Å; D5-F7 VanDerWaalsContact C-N 3.28Å; D5-F7 PolarHBondContact O-N 3.13Å; D5-R8 PolarHBondContact O-N 2.99Å; D5-R8 IonicContact OD1-NH1 3.79Å; D5-E9 WeakPolarHBondContact O-CB 3.44Å; D5-E9 PolarHBondContact O-N 3.11Å
6D81.8Confident82.2Confident90 Ų9050.9 Ų50.948%0.48124%0.243SC..Hα-helixtrans-62.2-38.1175.6-67.9-22.6000111.3S2 D10S2-D6 PolarHBondContact O-N 2.8Å; S2-D6 VanDerWaalsContact O-N 3.15Å; D6-D10 WeakPolarHBondContact O-CB 3.19Å; D6-D10 PolarHBondContact O-N 2.93Å
7F93.2Very high82.1Confident8 Ų854.5 Ų54.54%0.03526%0.259CS..Hα-helixtrans-66.3-44.4174.9171.4-93.5000112.5R3 L4 D5 E9 D10 C11 M77 F118 K120 V129R3-F7 PolarHBondContact O-N 3.15Å; L4-F7 HydrophobicContact CD1-CD1 4.26Å; L4-F7 WeakPolarHBondContact O-CB 3.21Å; L4-F7 PolarHBondContact O-N 3.09Å; D5-F7 VanDerWaalsContact C-N 3.28Å; D5-F7 PolarHBondContact O-N 3.13Å; F7-E9 VanDerWaalsContact C-N 3.35Å; F7-D10 PolarHBondContact O-N 3.13Å; F7-C11 WeakPolarHBondContact CZ-SG 3.31Å; F7-C11 PolarHBondContact O-N 2.96Å; F7-M77 WeakPolarHBondContact CE2-O 3.16Å; F7-F118 HydrophobicContact CE1-CB 4.45Å; F7-K120 HydrophobicContact CD1-CB 3.82Å; F7-K120 HydrophobicContact CD1-CD 4.4Å; F7-K120 HydrophobicContact CD2-CD 3.86Å; F7-K120 HydrophobicContact CE1-CB 3.61Å; F7-K120 HydrophobicContact CE1-CD 4.33Å; F7-K120 HydrophobicContact CE1-CG 4.49Å; F7-K120 HydrophobicContact CE2-CD 3.75Å; F7-K120 HydrophobicContact CG-CB 4.41Å; F7-K120 HydrophobicContact CG-CD 4.18Å; F7-K120 HydrophobicContact CZ-CB 4.02Å; F7-K120 HydrophobicContact CZ-CD 4.01Å; F7-K120 HydrophobicContact CZ-CG 4.46Å; F7-V129 HydrophobicContact CE1-CG1 4.18Å; F7-V129 HydrophobicContact CE1-CG2 4.22Å; F7-V129 HydrophobicContact CE2-CG2 4.05Å; F7-V129 HydrophobicContact CZ-CB 4.2Å; F7-V129 HydrophobicContact CZ-CG1 3.64Å; F7-V129 HydrophobicContact CZ-CG2 3.42Å; F7-V129 VanDerWaalsContact CZ-CG2 3.42Å
8R89.6Confident82.7Confident33 Ų3353.6 Ų53.613%0.12525%0.254CS..Hα-helixtrans-60.2-45.5177.2-77.4169.2173160.7-2.6111.1L4 D5 C11 F12 D34 F118L4-R8 WeakPolarHBondContact O-CG 3.3Å; L4-R8 PolarHBondContact O-N 2.78Å; D5-R8 PolarHBondContact O-N 2.99Å; D5-R8 IonicContact OD1-NH1 3.79Å; R8-C11 WeakPolarHBondContact O-CB 3.31Å; R8-C11 PolarHBondContact O-N 3.31Å; R8-F12 VanDerWaalsContact O-CB 3.32Å; R8-F12 WeakPolarHBondContact O-CB 3.01Å; R8-F12 PolarHBondContact O-N 2.96Å; R8-D34 IonicContact NE-OD1 3.84Å; R8-D34 IonicContact NE-OD2 3.35Å; R8-F118 HydrophobicContact CG-CB 4.12Å; R8-F118 PolarHBondContact NE-O 3.29Å
9E76.7Confident83Confident61 Ų6150.8 Ų50.829%0.28524%0.241SC..Hα-helixtrans-64.1-40.6177-172.956.1-142.900111.9D5 F7 F12 R13D5-E9 WeakPolarHBondContact O-CB 3.44Å; D5-E9 PolarHBondContact O-N 3.11Å; F7-E9 VanDerWaalsContact C-N 3.35Å; E9-F12 PolarHBondContact O-N 2.93Å; E9-R13 WeakPolarHBondContact O-CB 3.21Å; E9-R13 PolarHBondContact O-N 3.33Å
10D86.7Confident82.7Confident20 Ų2052.1 Ų52.111%0.10725%0.248CC..Hα-helixtrans-62.4-45.2175.6-169.139.1000112.2D6 F7 R13 A14 G79 H80D6-D10 WeakPolarHBondContact O-CB 3.19Å; D6-D10 PolarHBondContact O-N 2.93Å; F7-D10 PolarHBondContact O-N 3.13Å; D10-R13 IonicContact OD1-CZ 2.84Å; D10-R13 IonicContact OD1-NH2 3.4Å; D10-R13 PolarHBondContact OD1-NH2 3.22Å; D10-A14 WeakPolarHBondContact O-CB 3.36Å; D10-A14 PolarHBondContact O-N 2.92Å; D10-A14 VanDerWaalsContact O-N 3.1Å; D10-G79 WeakPolarHBondContact OD2-CA 3.35Å; D10-G79 PolarHBondContact OD2-N 3.02Å; D10-H80 IonicContact OD1-ND1 2.67Å; D10-H80 IonicContact OD2-CE1 3.53Å; D10-H80 IonicContact OD2-CG 3.63Å; D10-H80 PolarHBondContact OD2-N 2.97Å; D10-H80 IonicContact OD2-ND1 3.61Å; D10-H80 PolarHBondContact OD2-ND1 3.47Å
11C93.9Very high82.9Confident0 Ų053.3 Ų53.30%026%0.256CS..Hα-helixtrans-59.1-47.4172.1-80.50000112F7 R8 A14 H15 G79 V83 F118F7-C11 WeakPolarHBondContact CZ-SG 3.31Å; F7-C11 PolarHBondContact O-N 2.96Å; R8-C11 WeakPolarHBondContact O-CB 3.31Å; R8-C11 PolarHBondContact O-N 3.31Å; C11-A14 PolarHBondContact O-N 3.24Å; C11-H15 WeakPolarHBondContact O-CB 3.08Å; C11-H15 PolarHBondContact O-N 2.98Å; C11-H15 PolarHBondContact O-ND1 2.96Å; C11-G79 WeakPolarHBondContact SG-CA 3.35Å; C11-V83 HydrophobicContact CB-CG2 4.4Å; C11-F118 HydrophobicContact CB-CB 4.43Å; C11-F118 HydrophobicContact CB-CD1 3.72Å; C11-F118 HydrophobicContact CB-CD2 3.72Å; C11-F118 HydrophobicContact CB-CE1 3.82Å; C11-F118 HydrophobicContact CB-CE2 3.8Å; C11-F118 HydrophobicContact CB-CG 3.67Å; C11-F118 HydrophobicContact CB-CZ 3.84Å
12F84Confident84.7Confident21 Ų2145.3 Ų45.39%0.09222%0.217CC..Hα-helixtrans-62.1-48.5-176.9-179.7-113.3000112.1R8 E9 H15 N16 L27 H29 V116 F118 F219R8-F12 VanDerWaalsContact O-CB 3.32Å; R8-F12 WeakPolarHBondContact O-CB 3.01Å; R8-F12 PolarHBondContact O-N 2.96Å; E9-F12 PolarHBondContact O-N 2.93Å; F12-H15 PolarHBondContact O-N 3.29Å; F12-N16 VanDerWaalsContact CE2-ND2 3.26Å; F12-N16 WeakPolarHBondContact CE2-ND2 3.35Å; F12-N16 WeakPolarHBondContact CZ-ND2 3.46Å; F12-N16 PolarHBondContact O-N 2.91Å; F12-N16 VanDerWaalsContact O-N 3.17Å; F12-L27 WeakPolarHBondContact CE2-O 3.46Å; F12-L27 VanDerWaalsContact CZ-O 3.22Å; F12-L27 WeakPolarHBondContact CZ-O 3.22Å; F12-H29 HydrophobicContact CD2-CB 4Å; F12-H29 HydrophobicContact CE2-CB 3.91Å; F12-H29 VanDerWaalsContact CE2-N 3.3Å; F12-H29 HydrophobicContact CG-CB 4.37Å; F12-H29 HydrophobicContact CZ-CB 4.2Å; F12-V116 HydrophobicContact CD2-CG1 4.05Å; F12-V116 HydrophobicContact CE2-CG1 4.43Å; F12-F118 HydrophobicContact CB-CE2 3.88Å; F12-F118 HydrophobicContact CD2-CE2 4.45Å; F12-F219 HydrophobicContact CE1-CE2 4.48Å; F12-F219 HydrophobicContact CE1-CZ 4.42Å
13R74.2Confident84.6Confident82 Ų8242.7 Ų42.731%0.30920%0.199SC..Hα-helixtrans-59-51.6176.3-179.9177.657.4-109.3-5111E9 D10 H15 N16 E17E9-R13 WeakPolarHBondContact O-CB 3.21Å; E9-R13 PolarHBondContact O-N 3.33Å; D10-R13 IonicContact OD1-CZ 2.84Å; D10-R13 IonicContact OD1-NH2 3.4Å; D10-R13 PolarHBondContact OD1-NH2 3.22Å; R13-H15 VanDerWaalsContact C-N 3.31Å; R13-H15 PolarHBondContact O-N 3.4Å; R13-N16 PolarHBondContact O-N 2.91Å; R13-E17 WeakPolarHBondContact O-CG 3.24Å; R13-E17 PolarHBondContact O-N 3.14Å
14A86.6Confident84.2Confident3 Ų335.3 Ų35.33%0.02517%0.171CC..Hα-helixtrans-59.9-39.5179.700000112.1D10 C11 N16 E17 K18 H80 V83D10-A14 WeakPolarHBondContact O-CB 3.36Å; D10-A14 PolarHBondContact O-N 2.92Å; D10-A14 VanDerWaalsContact O-N 3.1Å; C11-A14 PolarHBondContact O-N 3.24Å; A14-N16 PolarHBondContact O-N 3.38Å; A14-E17 PolarHBondContact O-N 3.18Å; A14-K18 WeakPolarHBondContact O-CG 3.41Å; A14-K18 PolarHBondContact O-N 2.81Å; A14-H80 HydrophobicContact CB-CB 4.06Å; A14-V83 HydrophobicContact CB-CB 3.74Å; A14-V83 HydrophobicContact CB-CG1 3.79Å; A14-V83 HydrophobicContact CB-CG2 3.9Å
15H92Very high83.2Confident0 Ų034.6 Ų34.60%017%0.17CC..Hα-helixtrans-58.1-49.5176.1-88.870.5000111.7C11 F12 R13 E17 K18 R19 V83 W86 F118 Y133C11-H15 WeakPolarHBondContact O-CB 3.08Å; C11-H15 PolarHBondContact O-N 2.98Å; C11-H15 PolarHBondContact O-ND1 2.96Å; F12-H15 PolarHBondContact O-N 3.29Å; R13-H15 VanDerWaalsContact C-N 3.31Å; R13-H15 PolarHBondContact O-N 3.4Å; H15-E17 VanDerWaalsContact C-N 3.35Å; H15-K18 PolarHBondContact O-N 3.32Å; H15-R19 WeakPolarHBondContact O-CB 3.38Å; H15-R19 VanDerWaalsContact O-CG 3.25Å; H15-R19 WeakPolarHBondContact O-CG 3.48Å; H15-R19 PolarHBondContact O-N 3.11Å; H15-V83 WeakPolarHBondContact CE1-CG2 3.39Å; H15-V83 WeakPolarHBondContact ND1-CG2 3.41Å; H15-W86 AromaticContact CE1-CE3 3.87Å; H15-W86 AromaticContact CE1-CZ3 3.67Å; H15-W86 AromaticContact NE2-CE3 3.95Å; H15-W86 AromaticContact NE2-CZ3 3.87Å; H15-F118 AromaticContact CE1-CE1 3.27Å; H15-F118 WeakPolarHBondContact CE1-CE1 3.38Å; H15-F118 AromaticContact CE1-CZ 3.68Å; H15-F118 AromaticContact CG-CZ 3.93Å; H15-F118 AromaticContact ND1-CE1 3.62Å; H15-F118 AromaticContact ND1-CZ 3.52Å; H15-F118 AromaticContact NE2-CE1 3.76Å; H15-Y133 AromaticContact CD2-CE1 3.95Å; H15-Y133 AromaticContact NE2-CE1 3.85Å; H15-Y133 AromaticContact NE2-CZ 3.79Å; H15-Y133 PolarHBondContact NE2-OH 2.76Å
16N80.8Confident82.6Confident10 Ų1033.7 Ų33.75%0.05317%0.17CC..Hα-helixtrans-70.3-32.7-175.9-74.2-27.7000112.3F12 R13 A14 L20 A26 L27 F219F12-N16 VanDerWaalsContact CE2-ND2 3.26Å; F12-N16 WeakPolarHBondContact CE2-ND2 3.35Å; F12-N16 WeakPolarHBondContact CZ-ND2 3.46Å; F12-N16 PolarHBondContact O-N 2.91Å; F12-N16 VanDerWaalsContact O-N 3.17Å; R13-N16 PolarHBondContact O-N 2.91Å; A14-N16 PolarHBondContact O-N 3.38Å; N16-L20 WeakPolarHBondContact O-CB 3.43Å; N16-L20 PolarHBondContact O-N 3.29Å; N16-A26 HydrophobicContact CB-CB 4.26Å; N16-A26 VanDerWaalsContact OD1-CA 3.29Å; N16-A26 WeakPolarHBondContact OD1-CA 3.4Å; N16-L27 PolarHBondContact ND2-O 2.91Å; N16-L27 PolarHBondContact OD1-N 2.93Å; N16-F219 HydrophobicContact CB-CE1 4.36Å
17E81Confident82.4Confident111 Ų11129.6 Ų29.652%0.51915%0.148SC..Hα-helixtrans-60.6-48169.2-73175.4-176.700111.8R13 A14 H15 L20 L21R13-E17 WeakPolarHBondContact O-CG 3.24Å; R13-E17 PolarHBondContact O-N 3.14Å; A14-E17 PolarHBondContact O-N 3.18Å; H15-E17 VanDerWaalsContact C-N 3.35Å; E17-L20 WeakPolarHBondContact O-CB 3.25Å; E17-L20 PolarHBondContact O-N 2.9Å; E17-L21 PolarHBondContact O-N 2.95Å
18K91.6Very high81.3Confident39 Ų3936.4 Ų36.417%0.1717%0.174CC..Hα-helixtrans-64.8-45.2177.4-64.4-47.3-179.4176.20111.9A14 H15 L20 L21 H22 V83 N84 H87 L108A14-K18 WeakPolarHBondContact O-CG 3.41Å; A14-K18 PolarHBondContact O-N 2.81Å; H15-K18 PolarHBondContact O-N 3.32Å; K18-L20 PolarHBondContact O-N 3.23Å; K18-L21 HydrophobicContact CD-CD1 4.1Å; K18-L21 VanDerWaalsContact O-CB 3.31Å; K18-L21 WeakPolarHBondContact O-CB 3.38Å; K18-L21 PolarHBondContact O-N 2.83Å; K18-H22 PolarHBondContact O-CD2 2.83Å; K18-H22 VanDerWaalsContact O-CD2 3.3Å; K18-V83 HydrophobicContact CG-CG1 4.14Å; K18-N84 WeakPolarHBondContact CE-OD1 3.38Å; K18-N84 PolarHBondContact NZ-OD1 3.15Å; K18-H87 HydrophobicContact CD-CB 4.21Å; K18-H87 HydrophobicContact CG-CB 4.05Å; K18-L108 HydrophobicContact CB-CD2 3.71Å
19R88.6Confident80.3Confident0 Ų037.7 Ų37.70%018%0.181CC..Hα-helixtrans-57.1-36.7176.9-77.7-179.270.284.2-1.1112.7H15 L21 H22 G23 V24 C25 L108 W110H15-R19 WeakPolarHBondContact O-CB 3.38Å; H15-R19 VanDerWaalsContact O-CG 3.25Å; H15-R19 WeakPolarHBondContact O-CG 3.48Å; H15-R19 PolarHBondContact O-N 3.11Å; R19-L21 VanDerWaalsContact C-N 3.34Å; R19-L21 PolarHBondContact O-N 3.2Å; R19-H22 PolarHBondContact O-N 3.31Å; R19-G23 PolarHBondContact O-N 2.9Å; R19-V24 HydrophobicContact CB-CG2 3.66Å; R19-V24 HydrophobicContact CG-CG2 3.86Å; R19-V24 WeakPolarHBondContact O-CG2 3.45Å; R19-V24 PolarHBondContact O-N 3.45Å; R19-V24 VanDerWaalsContact O-N 3.15Å; R19-C25 VanDerWaalsContact CZ-O 3.22Å; R19-C25 PolarHBondContact NE-O 3.23Å; R19-C25 PolarHBondContact NH2-O 3.46Å; R19-L108 WeakPolarHBondContact CD-O 3.49Å; R19-L108 HydrophobicContact CG-CD2 4.23Å; R19-L108 VanDerWaalsContact CG-O 3.3Å; R19-L108 WeakPolarHBondContact CG-O 3.3Å; R19-L108 PolarHBondContact NH1-O 3.44Å; R19-W110 PolarHBondContact NH1-O 3.39Å; R19-W110 PolarHBondContact NH2-O 3.05Å
20L77.6Confident80.4Confident76 Ų7635.6 Ų35.640%0.39817%0.173SC..Hα-helixtrans-60.8-40.1174.517656.7000112.6N16 E17 K18 H22 G23 N232N16-L20 WeakPolarHBondContact O-CB 3.43Å; N16-L20 PolarHBondContact O-N 3.29Å; E17-L20 WeakPolarHBondContact O-CB 3.25Å; E17-L20 PolarHBondContact O-N 2.9Å; K18-L20 PolarHBondContact O-N 3.23Å; L20-H22 PolarHBondContact O-N 3.39Å; L20-G23 PolarHBondContact O-N 2.93Å; L20-N232 HydrophobicContact CD1-CB 4Å; L20-N232 WeakPolarHBondContact CD1-ND2 3.17Å
21L86.1Confident79.8Confident79 Ų7938.4 Ų38.441%0.41419%0.188SC..Hα-helixtrans-58.1-32.6177.3-57.3176.5000112.3E17 K18 R19 P150 K151E17-L21 PolarHBondContact O-N 2.95Å; K18-L21 HydrophobicContact CD-CD1 4.1Å; K18-L21 VanDerWaalsContact O-CB 3.31Å; K18-L21 WeakPolarHBondContact O-CB 3.38Å; K18-L21 PolarHBondContact O-N 2.83Å; R19-L21 VanDerWaalsContact C-N 3.34Å; R19-L21 PolarHBondContact O-N 3.2Å; L21-P150 WeakPolarHBondContact O-CA 3.48Å; L21-K151 PolarHBondContact O-N 3.33Å
22H87.1Confident78.8Confident1 Ų141.3 Ų41.31%0.00521%0.212CC..THydrogen-bonded Turntrans-91.3-1.3179.4-66.4-99.5000113.1K18 R19 L20 H87 F105 V109 F148K18-H22 PolarHBondContact O-CD2 2.83Å; K18-H22 VanDerWaalsContact O-CD2 3.3Å; R19-H22 PolarHBondContact O-N 3.31Å; L20-H22 PolarHBondContact O-N 3.39Å; H22-H87 AromaticContact CD2-NE2 3.72Å; H22-H87 AromaticContact NE2-CD2 3.86Å; H22-H87 AromaticContact NE2-CE1 3.93Å; H22-H87 AromaticContact NE2-NE2 2.94Å; H22-H87 PolarHBondContact NE2-NE2 3.35Å; H22-F105 AromaticContact CE1-CE2 3.41Å; H22-F105 VanDerWaalsContact CE1-CE2 3.41Å; H22-F105 WeakPolarHBondContact CE1-CE2 3.48Å; H22-F105 AromaticContact CE1-CZ 3.48Å; H22-F105 VanDerWaalsContact CE1-CZ 3.48Å; H22-F105 WeakPolarHBondContact CE1-CZ 3.4Å; H22-F105 AromaticContact NE2-CE2 3.71Å; H22-V109 HydrophobicContact CB-CB 4.35Å; H22-V109 HydrophobicContact CB-CG1 4.39Å; H22-F148 PolarHBondContact ND1-O 2.9Å
23G74.1Confident78.6Confident1 Ų140.3 Ų40.31%0.0121%0.208CC..THydrogen-bonded Turntrans6634.6179.700000113.5R19 L20 R229 C230R19-G23 PolarHBondContact O-N 2.9Å; L20-G23 PolarHBondContact O-N 2.93Å; G23-R229 CarbonylContact O-C 3.55Å; G23-R229 VanDerWaalsContact O-CA 3.23Å; G23-R229 WeakPolarHBondContact O-CA 3.47Å; G23-R229 VanDerWaalsContact O-CB 3.32Å; G23-R229 WeakPolarHBondContact O-CB 3.18Å; G23-C230 PolarHBondContact O-N 3.16Å
24V74Confident79.2Confident5 Ų536.5 Ų36.53%0.0319%0.193CC..  trans-109.6158.8174-59.50000110.8R19 F148 C230R19-V24 HydrophobicContact CB-CG2 3.66Å; R19-V24 HydrophobicContact CG-CG2 3.86Å; R19-V24 WeakPolarHBondContact O-CG2 3.45Å; R19-V24 PolarHBondContact O-N 3.45Å; R19-V24 VanDerWaalsContact O-N 3.15Å; V24-F148 HydrophobicContact CG1-CD2 3.55Å; V24-F148 HydrophobicContact CG1-CE2 3.84Å; V24-C230 VanDerWaalsContact C-SG 3.53Å
25C67.7Low79.1Confident26 Ų2641.5 Ų41.518%0.17621%0.214CC..PPolyproline II helixtrans-68.3147.1-171.2-109.60000108.2R19 C221 C230R19-C25 VanDerWaalsContact CZ-O 3.22Å; R19-C25 PolarHBondContact NE-O 3.23Å; R19-C25 PolarHBondContact NH2-O 3.46Å; C25-C221 HydrophobicContact CB-CB 4.44Å; C25-C221 WeakPolarHBondContact CB-SG 3.44Å; C25-C221 WeakPolarHBondContact SG-CB 3.43Å; C25-C221 CovalentContact SG-SG 2.09Å; C25-C221 PolarHBondContact SG-SG 3Å; C25-C230 WeakPolarHBondContact CA-SG 3.27Å; C25-C230 HydrophobicContact CB-CB 4.43Å; C25-C230 WeakPolarHBondContact CB-SG 3.5Å; C25-C230 PolarHBondContact N-SG 2.93Å; C25-C230 PolarHBondContact SG-SG 2.09Å
26A68.1Low79Confident41 Ų4143.2 Ų43.234%0.33923%0.225SC..PPolyproline II helixtrans-54.5141.3166.600000110.5N16N16-A26 HydrophobicContact CB-CB 4.26Å; N16-A26 VanDerWaalsContact OD1-CA 3.29Å; N16-A26 WeakPolarHBondContact OD1-CA 3.4Å
27L77.1Confident79.6Confident4 Ų442.7 Ų42.72%0.02122%0.222CC..PPolyproline II helixtrans-75.6157.9169.3-57.6179.9000109.4F12 N16 T113 R114 V116 Y133F12-L27 WeakPolarHBondContact CE2-O 3.46Å; F12-L27 VanDerWaalsContact CZ-O 3.22Å; F12-L27 WeakPolarHBondContact CZ-O 3.22Å; N16-L27 PolarHBondContact ND2-O 2.91Å; N16-L27 PolarHBondContact OD1-N 2.93Å; L27-T113 HydrophobicContact CD1-CG2 4.37Å; L27-T113 HydrophobicContact CD2-CG2 3.74Å; L27-T113 WeakPolarHBondContact CD2-O 3.45Å; L27-R114 CarbonylContact C-O 3.59Å; L27-R114 WeakPolarHBondContact CA-O 3.34Å; L27-V116 HydrophobicContact CB-CB 4.46Å; L27-V116 HydrophobicContact CB-CG1 3.88Å; L27-V116 HydrophobicContact CD1-CB 3.75Å; L27-V116 HydrophobicContact CD1-CG1 3.78Å; L27-V116 HydrophobicContact CG-CG1 4.46Å; L27-Y133 HydrophobicContact CD1-CD1 4.11Å; L27-Y133 HydrophobicContact CD1-CE1 4.23Å
28R69.9Low80.4Confident151 Ų15138.4 Ų38.457%0.5720%0.202SC*.EExtended strand (participates in β ladder)trans-94.5142.2165.3-63-179.7-178.4165.2-0.1109.7R114 E115 V116R28-R114 PolarHBondContact N-O 3Å; R28-E115 HydrophobicContact CB-CB 4.42Å; R28-E115 CarbonylContact O-C 3.5Å; R28-E115 WeakPolarHBondContact O-CA 3.46Å; R28-E115 WeakPolarHBondContact O-CB 3.49Å; R28-V116 PolarHBondContact O-N 2.74Å
29H69.4Low80.5Confident61 Ų6140.1 Ų40.128%0.28221%0.213SC..EExtended strand (participates in β ladder)trans-70.8136.4170.2-164.1-113.8000109.8F12 D34 V116F12-H29 HydrophobicContact CD2-CB 4Å; F12-H29 HydrophobicContact CE2-CB 3.91Å; F12-H29 VanDerWaalsContact CE2-N 3.3Å; F12-H29 HydrophobicContact CG-CB 4.37Å; F12-H29 HydrophobicContact CZ-CB 4.2Å; H29-D34 IonicContact CE1-OD1 2.67Å; H29-D34 IonicContact CE1-OD2 3.11Å; H29-D34 PolarHBondContact CE1-OD2 2.73Å; H29-D34 IonicContact ND1-OD2 3.26Å; H29-D34 IonicContact NE2-OD1 2.7Å; H29-D34 PolarHBondContact NE2-OD1 3.2Å; H29-D34 IonicContact NE2-OD2 3.2Å; H29-D34 PolarHBondContact NE2-OD2 2.87Å; H29-V116 CarbonylContact C-O 3.58Å; H29-V116 WeakPolarHBondContact CA-O 3.48Å
30S77.4Confident80.9Confident16 Ų1641.7 Ų41.711%0.11222%0.219CC..  trans-126.4106.8179.6176.80000110.2A32 L33 D34 V116S30-A32 PolarHBondContact O-N 2.96Å; S30-L33 CarbonylContact O-C 3.53Å; S30-L33 WeakPolarHBondContact O-CA 3.15Å; S30-L33 WeakPolarHBondContact O-CB 3.46Å; S30-L33 PolarHBondContact O-N 3.47Å; S30-L33 PolarHBondContact OG-N 2.84Å; S30-D34 PolarHBondContact O-N 3.39Å; S30-V116 PolarHBondContact N-O 3.06Å
31L74.5Confident81.8Confident79 Ų7938.1 Ų38.141%0.41420%0.2SC..Hα-helixtrans-60.1-30.3177.1-60.4176.5000112.2D34 K35 E182L31-D34 WeakPolarHBondContact CD2-OD2 3.18Å; L31-D34 WeakPolarHBondContact O-CB 3.29Å; L31-D34 PolarHBondContact O-N 3.22Å; L31-K35 PolarHBondContact O-N 3.38Å; L31-E182 HydrophobicContact CD1-CG 4.39Å; L31-E182 WeakPolarHBondContact CD1-OE1 3.26Å
32A73.7Confident82.3Confident62 Ų6239.1 Ų39.151%0.51220%0.203SC..Hα-helixtrans-65.9-39.4173.100000111.6S30 T36S30-A32 PolarHBondContact O-N 2.96Å; A32-T36 PolarHBondContact O-N 3.47Å; A32-T36 PolarHBondContact O-OG1 3.24Å
33L79.3Confident82.7Confident0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-71.5-38.7174.1-69-178.5000111.6S30 K35 T36 A37 V61 E115 H132 R134S30-L33 CarbonylContact O-C 3.53Å; S30-L33 WeakPolarHBondContact O-CA 3.15Å; S30-L33 WeakPolarHBondContact O-CB 3.46Å; S30-L33 PolarHBondContact O-N 3.47Å; S30-L33 PolarHBondContact OG-N 2.84Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 2.92Å; L33-T36 WeakPolarHBondContact CA-OG1 2.9Å; L33-T36 PolarHBondContact O-N 2.94Å; L33-T36 PolarHBondContact O-OG1 3.48Å; L33-A37 VanDerWaalsContact O-CB 3.26Å; L33-A37 WeakPolarHBondContact O-CB 3.49Å; L33-A37 PolarHBondContact O-N 2.85Å; L33-V61 HydrophobicContact CD2-CG1 3.85Å; L33-E115 HydrophobicContact CD1-CB 4.43Å; L33-E115 HydrophobicContact CD1-CG 3.79Å; L33-H132 HydrophobicContact CB-CB 4.25Å; L33-H132 WeakPolarHBondContact CD1-O 3.37Å; L33-H132 HydrophobicContact CD2-CB 3.94Å; L33-R134 HydrophobicContact CD1-CB 4.05Å
34D86.3Confident83.7Confident2 Ų240.9 Ų40.91%0.01122%0.217CC..Hα-helixtrans-53.7-45.9173.2-75-16.3000111.6R8 H29 S30 L31 A37 Q38 G117 F118R8-D34 IonicContact NE-OD1 3.84Å; R8-D34 IonicContact NE-OD2 3.35Å; H29-D34 IonicContact CE1-OD1 2.67Å; H29-D34 IonicContact CE1-OD2 3.11Å; H29-D34 PolarHBondContact CE1-OD2 2.73Å; H29-D34 IonicContact ND1-OD2 3.26Å; H29-D34 IonicContact NE2-OD1 2.7Å; H29-D34 PolarHBondContact NE2-OD1 3.2Å; H29-D34 IonicContact NE2-OD2 3.2Å; H29-D34 PolarHBondContact NE2-OD2 2.87Å; S30-D34 PolarHBondContact O-N 3.39Å; L31-D34 WeakPolarHBondContact CD2-OD2 3.18Å; L31-D34 WeakPolarHBondContact O-CB 3.29Å; L31-D34 PolarHBondContact O-N 3.22Å; D34-A37 PolarHBondContact O-N 3.02Å; D34-Q38 WeakPolarHBondContact O-CB 3.47Å; D34-Q38 PolarHBondContact O-N 2.57Å; D34-G117 VanDerWaalsContact OD1-C 3.29Å; D34-G117 WeakPolarHBondContact OD1-CA 3.27Å; D34-F118 PolarHBondContact OD1-N 2.76Å
35K84.6Confident84.7Confident107 Ų10742.9 Ų42.947%0.46523%0.227SC..Hα-helixtrans-59.3-54.2177.6-173.9-175.2179.5-62.60110.4L31 L33 A37 Q38 D39L31-K35 PolarHBondContact O-N 3.38Å; L33-K35 VanDerWaalsContact C-N 3.27Å; L33-K35 PolarHBondContact O-N 2.92Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.41Å; K35-Q38 PolarHBondContact O-N 2.93Å; K35-D39 IonicContact NZ-OD1 2.93Å; K35-D39 IonicContact NZ-OD2 3.66Å; K35-D39 PolarHBondContact NZ-OD2 3.43Å; K35-D39 WeakPolarHBondContact O-CB 3.43Å; K35-D39 PolarHBondContact O-N 3.32Å
36T89.5Confident85.7Confident36 Ų3646.5 Ų46.522%0.22125%0.253CS..Hα-helixtrans-64.7-33.5-178.659.10000113.5A32 L33 W40 L55 H132A32-T36 PolarHBondContact O-N 3.47Å; A32-T36 PolarHBondContact O-OG1 3.24Å; L33-T36 WeakPolarHBondContact CA-OG1 2.9Å; L33-T36 PolarHBondContact O-N 2.94Å; L33-T36 PolarHBondContact O-OG1 3.48Å; T36-W40 WeakPolarHBondContact O-CB 3.19Å; T36-W40 PolarHBondContact O-N 3.38Å; T36-W40 VanDerWaalsContact O-N 3.14Å; T36-L55 HydrophobicContact CG2-CD1 3.78Å; T36-H132 PolarHBondContact O-CE1 3.15Å; T36-H132 PolarHBondContact OG1-ND1 3.21Å
37A94.6Very high86.8Confident0 Ų048 Ų480%025%0.253CS..Hα-helixtrans-72.9-36.8176.800000111L33 D34 K35 W40 A41 V130 H132L33-A37 VanDerWaalsContact O-CB 3.26Å; L33-A37 WeakPolarHBondContact O-CB 3.49Å; L33-A37 PolarHBondContact O-N 2.85Å; D34-A37 PolarHBondContact O-N 3.02Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.41Å; A37-W40 PolarHBondContact O-N 2.73Å; A37-A41 WeakPolarHBondContact O-CB 3.24Å; A37-A41 PolarHBondContact O-N 3.43Å; A37-V130 HydrophobicContact CB-CB 4.25Å; A37-V130 HydrophobicContact CB-CG1 4.02Å; A37-H132 HydrophobicContact CB-CB 4.39Å; A37-H132 PolarHBondContact N-ND1 3.23Å
38Q96.4Very high87.1Confident20 Ų2056.3 Ų56.39%0.09330%0.298CS..Hα-helixtrans-66.1-50.1174.3-174.462.137.100111.3L4 D34 K35 W40 A41 E42 K120L4-Q38 HydrophobicContact CD2-CG 4.3Å; D34-Q38 WeakPolarHBondContact O-CB 3.47Å; D34-Q38 PolarHBondContact O-N 2.57Å; K35-Q38 PolarHBondContact O-N 2.93Å; Q38-W40 PolarHBondContact O-N 3.02Å; Q38-A41 PolarHBondContact O-N 2.85Å; Q38-A41 VanDerWaalsContact O-N 3.11Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.48Å; Q38-E42 PolarHBondContact NE2-OE1 2.79Å; Q38-E42 WeakPolarHBondContact O-CG 3.45Å; Q38-E42 PolarHBondContact O-N 3.44Å; Q38-K120 PolarHBondContact NE2-O 3.13Å; Q38-K120 PolarHBondContact OE1-O 2.85Å
39D94.5Very high87.8Confident75 Ų7551.1 Ų51.140%0.40129%0.291SS..Hα-helixtrans-53.6-39.2175.8-65.3-16.3000110.1K35 A43K35-D39 IonicContact NZ-OD1 2.93Å; K35-D39 IonicContact NZ-OD2 3.66Å; K35-D39 PolarHBondContact NZ-OD2 3.43Å; K35-D39 WeakPolarHBondContact O-CB 3.43Å; K35-D39 PolarHBondContact O-N 3.32Å; D39-A43 PolarHBondContact O-N 3.38Å; D39-A43 VanDerWaalsContact O-N 3.15Å
40W96.5Very high88.8Confident34 Ų3453.6 Ų53.613%0.12931%0.305CS..Hα-helixtrans-76.3-38.7177.6-167-123.4000114.5T36 A37 Q38 E42 A43 L44 K51 N52 S53 P54 E63T36-W40 WeakPolarHBondContact O-CB 3.19Å; T36-W40 PolarHBondContact O-N 3.38Å; T36-W40 VanDerWaalsContact O-N 3.14Å; A37-W40 PolarHBondContact O-N 2.73Å; Q38-W40 PolarHBondContact O-N 3.02Å; W40-E42 VanDerWaalsContact C-N 3.26Å; W40-E42 PolarHBondContact O-N 3.33Å; W40-A43 HydrophobicContact CE3-CB 3.9Å; W40-A43 HydrophobicContact CZ3-CB 4.12Å; W40-A43 PolarHBondContact O-N 3.11Å; W40-L44 HydrophobicContact CD2-CG 4.36Å; W40-L44 HydrophobicContact CG-CD1 4.46Å; W40-L44 HydrophobicContact CZ2-CD2 3.98Å; W40-L44 HydrophobicContact CZ2-CG 4.2Å; W40-L44 WeakPolarHBondContact O-CB 3.48Å; W40-L44 WeakPolarHBondContact O-CG 3.48Å; W40-L44 PolarHBondContact O-N 3.25Å; W40-K51 HydrophobicContact CH2-CG 4.24Å; W40-K51 HydrophobicContact CZ2-CG 3.86Å; W40-K51 WeakPolarHBondContact CZ2-O 3.31Å; W40-K51 PolarHBondContact NE1-O 3.4Å; W40-N52 VanDerWaalsContact CZ2-C 3.49Å; W40-N52 VanDerWaalsContact CZ2-O 3.26Å; W40-N52 WeakPolarHBondContact CZ2-O 3.21Å; W40-S53 VanDerWaalsContact CZ2-CA 3.45Å; W40-P54 HydrophobicContact CZ3-CG 4.35Å; W40-E63 PolarHBondContact NE1-OE2 3.12Å
41A97.4Very high89.5Confident0 Ų057.1 Ų57.10%032%0.318CS..Hα-helixtrans-59.9-40.4175.400000111.2A37 Q38 L44 L45 A121 V128 V130A37-A41 WeakPolarHBondContact O-CB 3.24Å; A37-A41 PolarHBondContact O-N 3.43Å; Q38-A41 PolarHBondContact O-N 2.85Å; Q38-A41 VanDerWaalsContact O-N 3.11Å; A41-L44 PolarHBondContact O-N 2.93Å; A41-L45 PolarHBondContact O-N 2.69Å; A41-A121 HydrophobicContact CB-CB 3.99Å; A41-V128 HydrophobicContact CB-CG1 4.41Å; A41-V130 HydrophobicContact CB-CB 4.37Å; A41-V130 HydrophobicContact CB-CG2 3.84Å
42E96.4Very high90.2Very high101 Ų10157.8 Ų57.847%0.47232%0.322SS..Hα-helixtrans-66.4-45.2175.6-70.5170.8-170.300111.9Q38 W40 L44 L45 A121Q38-E42 WeakPolarHBondContact CG-OE1 3.48Å; Q38-E42 PolarHBondContact NE2-OE1 2.79Å; Q38-E42 WeakPolarHBondContact O-CG 3.45Å; Q38-E42 PolarHBondContact O-N 3.44Å; W40-E42 VanDerWaalsContact C-N 3.26Å; W40-E42 PolarHBondContact O-N 3.33Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 2.73Å; E42-L45 WeakPolarHBondContact O-CB 3.46Å; E42-L45 PolarHBondContact O-N 2.8Å; E42-A121 HydrophobicContact CB-CB 4.37Å; E42-A121 HydrophobicContact CG-CB 3.73Å
43A95.6Very high91Very high36 Ų3654.9 Ų54.930%0.29830%0.298SS..Hα-helixtrans-59.8-41.1175.100000112.3D39 W40 L45 S46 E47D39-A43 PolarHBondContact O-N 3.38Å; D39-A43 VanDerWaalsContact O-N 3.15Å; W40-A43 HydrophobicContact CE3-CB 3.9Å; W40-A43 HydrophobicContact CZ3-CB 4.12Å; W40-A43 PolarHBondContact O-N 3.11Å; A43-L45 VanDerWaalsContact C-N 3.27Å; A43-L45 PolarHBondContact O-N 2.79Å; A43-S46 PolarHBondContact O-N 2.88Å; A43-S46 PolarHBondContact O-OG 3.12Å; A43-E47 WeakPolarHBondContact O-CG 3.25Å
44L95.8Very high91.3Very high2 Ų258 Ų581%0.0132%0.318CS..Hα-helixtrans-69.1-20.2178.9-78.9177.7000113.8W40 A41 E42 S46 E47 K51 I65 K126 V128 V130W40-L44 HydrophobicContact CD2-CG 4.36Å; W40-L44 HydrophobicContact CG-CD1 4.46Å; W40-L44 HydrophobicContact CZ2-CD2 3.98Å; W40-L44 HydrophobicContact CZ2-CG 4.2Å; W40-L44 WeakPolarHBondContact O-CB 3.48Å; W40-L44 WeakPolarHBondContact O-CG 3.48Å; W40-L44 PolarHBondContact O-N 3.25Å; A41-L44 PolarHBondContact O-N 2.93Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 2.73Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.15Å; L44-E47 PolarHBondContact O-N 2.95Å; L44-K51 HydrophobicContact CD2-CG 4.22Å; L44-I65 HydrophobicContact CD1-CD1 3.98Å; L44-I65 HydrophobicContact CD1-CG1 4.46Å; L44-I65 HydrophobicContact CD1-CG2 3.99Å; L44-K126 WeakPolarHBondContact O-CE 3.49Å; L44-K126 PolarHBondContact O-NZ 2.97Å; L44-V128 HydrophobicContact CB-CG1 3.84Å; L44-V128 HydrophobicContact CB-CG2 4.24Å; L44-V128 HydrophobicContact CD1-CG1 3.84Å; L44-V130 HydrophobicContact CD1-CG2 4.02Å
45L93.5Very high90.8Very high48 Ų4859.6 Ų59.625%0.25133%0.327SS..Hα-helixtrans-60.1-42.1175-85.4177.2000111.4A41 E42 A43 E47 A121 K126 V128A41-L45 PolarHBondContact O-N 2.69Å; E42-L45 WeakPolarHBondContact O-CB 3.46Å; E42-L45 PolarHBondContact O-N 2.8Å; A43-L45 VanDerWaalsContact C-N 3.27Å; A43-L45 PolarHBondContact O-N 2.79Å; L45-E47 VanDerWaalsContact C-N 3.32Å; L45-E47 PolarHBondContact O-N 3.02Å; L45-A121 HydrophobicContact CD1-CB 3.38Å; L45-A121 WeakPolarHBondContact CD2-O 3.3Å; L45-A121 HydrophobicContact CG-CB 3.8Å; L45-K126 HydrophobicContact CD2-CB 4.31Å; L45-K126 HydrophobicContact CD2-CD 4.4Å; L45-K126 HydrophobicContact CD2-CG 4.11Å; L45-K126 WeakPolarHBondContact CD2-O 3.3Å; L45-K126 PolarHBondContact O-NZ 2.9Å; L45-V128 HydrophobicContact CD2-CG2 4.04Å; L45-V128 HydrophobicContact CG-CG2 4.37Å
46S90Very high90.8Very high102 Ų10255.5 Ų55.571%0.71331%0.312SS*.THydrogen-bonded Turntrans-80.4-2.8-178.744.90000115.4A43 L44A43-S46 PolarHBondContact O-N 2.88Å; A43-S46 PolarHBondContact O-OG 3.12Å; L44-S46 VanDerWaalsContact C-N 3.29Å; L44-S46 PolarHBondContact O-N 3.15Å
47E90Very high90.4Very high71 Ų7158 Ų5833%0.33233%0.331SS..SBendtrans-98.9141.9-175.6-65.9-81.6177.100111.9A43 L44 L45 G49 K51 K126A43-E47 WeakPolarHBondContact O-CG 3.25Å; L44-E47 PolarHBondContact O-N 2.95Å; L45-E47 VanDerWaalsContact C-N 3.32Å; L45-E47 PolarHBondContact O-N 3.02Å; E47-G49 PolarHBondContact O-N 3.18Å; E47-G49 VanDerWaalsContact O-N 3.17Å; E47-K51 IonicContact OE1-NZ 3.57Å; E47-K51 PolarHBondContact OE1-NZ 3.06Å; E47-K51 IonicContact OE2-NZ 2.71Å; E47-K51 PolarHBondContact OE2-NZ 2.84Å; E47-K126 PolarHBondContact O-NZ 3.23Å
48D83.5Confident89.5Confident180 Ų18065.2 Ų65.296%0.96336%0.358SS*.SBendtrans-76.33-179.2-70.1-33.1000114
49G85.6Confident88.5Confident42 Ų4266.5 Ų66.543%0.43338%0.377SS..SBendtrans-157174-179.200000113.9E47E47-G49 PolarHBondContact O-N 3.18Å; E47-G49 VanDerWaalsContact O-N 3.17Å
50I89Confident87.3Confident112 Ų11266.4 Ų66.457%0.57437%0.374SS*.  trans-92.3121.2174.5-59.3174.2000108.1I65 V67I50-I65 HydrophobicContact CG2-CB 4.23Å; I50-I65 HydrophobicContact CG2-CD1 3.99Å; I50-I65 HydrophobicContact CG2-CG2 3.96Å; I50-V67 HydrophobicContact CD1-CB 3.99Å; I50-V67 HydrophobicContact CD1-CG2 3.6Å; I50-V67 HydrophobicContact CG1-CB 4.39Å; I50-V67 HydrophobicContact CG1-CG2 3.63Å
51K93.2Very high86.4Confident91 Ų9164.9 Ų64.940%0.39637%0.368SS..  trans-133.3153.6171.668.8-168.1-179.8-168.10109.8W40 L44 E47 I65W40-K51 HydrophobicContact CH2-CG 4.24Å; W40-K51 HydrophobicContact CZ2-CG 3.86Å; W40-K51 WeakPolarHBondContact CZ2-O 3.31Å; W40-K51 PolarHBondContact NE1-O 3.4Å; L44-K51 HydrophobicContact CD2-CG 4.22Å; E47-K51 IonicContact OE1-NZ 3.57Å; E47-K51 PolarHBondContact OE1-NZ 3.06Å; E47-K51 IonicContact OE2-NZ 2.71Å; E47-K51 PolarHBondContact OE2-NZ 2.84Å; K51-I65 WeakPolarHBondContact O-CD1 3.35Å
52N88.7Confident86.1Confident92 Ų9265.1 Ų65.149%0.49237%0.371SS..  trans-71151178.6-71.522.9000111.2W40 S56 E63W40-N52 VanDerWaalsContact CZ2-C 3.49Å; W40-N52 VanDerWaalsContact CZ2-O 3.26Å; W40-N52 WeakPolarHBondContact CZ2-O 3.21Å; N52-S56 PolarHBondContact ND2-OG 3.36Å; N52-E63 WeakPolarHBondContact CA-OE1 3.45Å; N52-E63 WeakPolarHBondContact CB-OE1 3.21Å
53S91Very high86.1Confident2 Ų261.1 Ų61.11%0.01435%0.352CS..  trans-61.6156.9173.560.20000112W40 L55 S56 S57 E63 H132W40-S53 VanDerWaalsContact CZ2-CA 3.45Å; S53-L55 PolarHBondContact O-N 2.77Å; S53-S56 PolarHBondContact O-N 2.8Å; S53-S56 VanDerWaalsContact OG-CB 3.25Å; S53-S56 WeakPolarHBondContact OG-CB 3.33Å; S53-S56 PolarHBondContact OG-N 3.49Å; S53-S56 VanDerWaalsContact OG-N 3.11Å; S53-S57 WeakPolarHBondContact O-CB 3.46Å; S53-S57 PolarHBondContact O-N 2.81Å; S53-S57 PolarHBondContact O-OG 3.29Å; S53-E63 WeakPolarHBondContact CB-OE2 3.34Å; S53-E63 PolarHBondContact N-OE1 3.26Å; S53-E63 VanDerWaalsContact N-OE1 3.09Å; S53-E63 PolarHBondContact N-OE2 3.2Å; S53-E63 PolarHBondContact OG-OE2 3.34Å; S53-H132 PolarHBondContact OG-NE2 3.08Å
54P84.7Confident86.2Confident64 Ų6459.5 Ų59.542%0.41634%0.338SS..Hα-helixtrans-56.2-33.4169.5-26.534.9000112.7W40 R58W40-P54 HydrophobicContact CZ3-CG 4.35Å; P54-R58 VanDerWaalsContact CB-NH1 3.33Å; P54-R58 VanDerWaalsContact O-CG 3.31Å; P54-R58 WeakPolarHBondContact O-CG 3.34Å; P54-R58 PolarHBondContact O-N 2.81Å; P54-R58 VanDerWaalsContact O-N 3.12Å; P54-R58 PolarHBondContact O-NH1 2.97Å
55L75.8Confident86.3Confident37 Ų3760.2 Ų60.219%0.19434%0.342CS..Hα-helixtrans-66.3-46.8176.6-64.2169.4000111.3T36 S53 R58 G59 E60 V61T36-L55 HydrophobicContact CG2-CD1 3.78Å; S53-L55 PolarHBondContact O-N 2.77Å; L55-R58 PolarHBondContact O-N 3.22Å; L55-G59 PolarHBondContact O-N 3.06Å; L55-E60 WeakPolarHBondContact CD2-OE2 3.08Å; L55-E60 PolarHBondContact O-N 3.43Å; L55-V61 HydrophobicContact CB-CG2 3.65Å
56S84.8Confident86.5Confident21 Ų2159 Ų5915%0.14734%0.337CS..Hα-helixtrans-62.6-44.5175.8175.50000111.4N52 S53 R58 G59 E63N52-S56 PolarHBondContact ND2-OG 3.36Å; S53-S56 PolarHBondContact O-N 2.8Å; S53-S56 VanDerWaalsContact OG-CB 3.25Å; S53-S56 WeakPolarHBondContact OG-CB 3.33Å; S53-S56 PolarHBondContact OG-N 3.49Å; S53-S56 VanDerWaalsContact OG-N 3.11Å; S56-R58 VanDerWaalsContact C-N 3.26Å; S56-R58 PolarHBondContact O-N 3.07Å; S56-G59 PolarHBondContact O-N 3.23Å; S56-E63 WeakPolarHBondContact CB-OE1 3.45Å; S56-E63 WeakPolarHBondContact OG-CB 3.34Å; S56-E63 PolarHBondContact OG-OE1 3.35Å
57S82Confident86.7Confident89 Ų8956.2 Ų56.262%0.62232%0.316SS*.Hα-helixtrans-63.7-28.3179.2-57.90000113.5S53S53-S57 WeakPolarHBondContact O-CB 3.46Å; S53-S57 PolarHBondContact O-N 2.81Å; S53-S57 PolarHBondContact O-OG 3.29Å
58R76.1Confident87Confident150 Ų15057.6 Ų57.657%0.56632%0.318SS*.THydrogen-bonded Turntrans-87.4-1.8173.6-67.5-172.7-54.7-100.13.5113.7P54 L55 S56 E60P54-R58 VanDerWaalsContact CB-NH1 3.33Å; P54-R58 VanDerWaalsContact O-CG 3.31Å; P54-R58 WeakPolarHBondContact O-CG 3.34Å; P54-R58 PolarHBondContact O-N 2.81Å; P54-R58 VanDerWaalsContact O-N 3.12Å; P54-R58 PolarHBondContact O-NH1 2.97Å; L55-R58 PolarHBondContact O-N 3.22Å; S56-R58 VanDerWaalsContact C-N 3.26Å; S56-R58 PolarHBondContact O-N 3.07Å; R58-E60 VanDerWaalsContact C-N 3.3Å; R58-E60 HydrophobicContact CB-CG 4.13Å; R58-E60 IonicContact CZ-OE1 3.84Å; R58-E60 IonicContact NE-OE1 3.65Å; R58-E60 PolarHBondContact NE-OE1 2.75Å; R58-E60 IonicContact NH2-OE1 3.65Å; R58-E60 PolarHBondContact NH2-OE1 2.85Å; R58-E60 VanDerWaalsContact NH2-OE1 3.11Å; R58-E60 IonicContact NH2-OE2 2.69Å; R58-E60 PolarHBondContact O-N 3.2Å
59G73.4Confident87.4Confident47 Ų4754 Ų5449%0.48530%0.303SS..THydrogen-bonded Turntrans73.318.3-178.700000114.2L55 S56L55-G59 PolarHBondContact O-N 3.06Å; S56-G59 PolarHBondContact O-N 3.23Å
60E70.2Confident87.6Confident74 Ų7454.9 Ų54.935%0.34630%0.303SS..SBendtrans-79.8-29-179.3-65177.2-145.400112.7L55 R58L55-E60 WeakPolarHBondContact CD2-OE2 3.08Å; L55-E60 PolarHBondContact O-N 3.43Å; R58-E60 VanDerWaalsContact C-N 3.3Å; R58-E60 HydrophobicContact CB-CG 4.13Å; R58-E60 IonicContact CZ-OE1 3.84Å; R58-E60 IonicContact NE-OE1 3.65Å; R58-E60 PolarHBondContact NE-OE1 2.75Å; R58-E60 IonicContact NH2-OE1 3.65Å; R58-E60 PolarHBondContact NH2-OE1 2.85Å; R58-E60 VanDerWaalsContact NH2-OE1 3.11Å; R58-E60 IonicContact NH2-OE2 2.69Å; R58-E60 PolarHBondContact O-N 3.2Å
61V78.4Confident87.6Confident2 Ų257.1 Ų57.11%0.01232%0.322CS..SBendtrans-137.8151.8177.4-59.10000109.7L33 L55 H132 Y133L33-V61 HydrophobicContact CD2-CG1 3.85Å; L55-V61 HydrophobicContact CB-CG2 3.65Å; V61-H132 HydrophobicContact CB-CB 4.32Å; V61-H132 HydrophobicContact CG2-CB 4.32Å; V61-Y133 CarbonylContact C-O 3.55Å; V61-Y133 VanDerWaalsContact CA-O 3.32Å; V61-Y133 WeakPolarHBondContact CA-O 3.48Å
62G89.7Confident87.3Confident5 Ų554.3 Ų54.35%0.05232%0.319CS..EExtended strand (participates in β ladder)trans-78.6159.7160.800000109.4Q107 H132 Y133G62-Q107 VanDerWaalsContact CA-OE1 3.23Å; G62-H132 CarbonylContact O-C 3.58Å; G62-H132 VanDerWaalsContact O-CA 3.31Å; G62-H132 WeakPolarHBondContact O-CA 3.41Å; G62-Y133 PolarHBondContact N-O 3.38Å; G62-Y133 PolarHBondContact O-N 2.93Å
63E97.1Very high87Confident17 Ų1755.9 Ų55.98%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-143.9144.4-176.2-173.31756000112.1W40 N52 S53 S56 I65 V130 A131 H132W40-E63 PolarHBondContact NE1-OE2 3.12Å; N52-E63 WeakPolarHBondContact CA-OE1 3.45Å; N52-E63 WeakPolarHBondContact CB-OE1 3.21Å; S53-E63 WeakPolarHBondContact CB-OE2 3.34Å; S53-E63 PolarHBondContact N-OE1 3.26Å; S53-E63 VanDerWaalsContact N-OE1 3.09Å; S53-E63 PolarHBondContact N-OE2 3.2Å; S53-E63 PolarHBondContact OG-OE2 3.34Å; S56-E63 WeakPolarHBondContact CB-OE1 3.45Å; S56-E63 WeakPolarHBondContact OG-CB 3.34Å; S56-E63 PolarHBondContact OG-OE1 3.35Å; E63-I65 HydrophobicContact CG-CD1 4.12Å; E63-I65 HydrophobicContact CG-CG1 3.88Å; E63-V130 HydrophobicContact CG-CG1 4.3Å; E63-A131 CarbonylContact C-O 3.58Å; E63-A131 VanDerWaalsContact CA-O 3.28Å; E63-A131 WeakPolarHBondContact CA-O 3.49Å; E63-H132 IonicContact OE2-CD2 2.87Å; E63-H132 IonicContact OE2-NE2 2.69Å; E63-H132 PolarHBondContact OE2-NE2 3.24Å
64S98.1Very high86.7Confident1 Ų162.3 Ų62.31%0.00736%0.361CS..EExtended strand (participates in β ladder)trans-136.2135.2166-57.50000108.6W86 N104 V130 A131 Y133S64-W86 WeakPolarHBondContact O-CZ2 3.49Å; S64-N104 VanDerWaalsContact CA-OD1 3.3Å; S64-N104 WeakPolarHBondContact CA-OD1 3.37Å; S64-N104 VanDerWaalsContact CB-OD1 3.24Å; S64-N104 WeakPolarHBondContact CB-OD1 3.24Å; S64-N104 PolarHBondContact OG-OD1 2.79Å; S64-V130 CarbonylContact O-C 3.6Å; S64-V130 WeakPolarHBondContact O-CA 3.46Å; S64-A131 PolarHBondContact N-O 2.82Å; S64-A131 PolarHBondContact O-N 3.24Å; S64-Y133 WeakPolarHBondContact OG-CE2 3.42Å; S64-Y133 PolarHBondContact OG-OH 3.01Å
65I97.3Very high86.9Confident17 Ų1759.7 Ų59.79%0.08734%0.344CS..EExtended strand (participates in β ladder)trans-125.3139.8-175.8-57.8168.2000108.3L44 I50 K51 E63 V67 W86 V128 V129 V130L44-I65 HydrophobicContact CD1-CD1 3.98Å; L44-I65 HydrophobicContact CD1-CG1 4.46Å; L44-I65 HydrophobicContact CD1-CG2 3.99Å; I50-I65 HydrophobicContact CG2-CB 4.23Å; I50-I65 HydrophobicContact CG2-CD1 3.99Å; I50-I65 HydrophobicContact CG2-CG2 3.96Å; K51-I65 WeakPolarHBondContact O-CD1 3.35Å; E63-I65 HydrophobicContact CG-CD1 4.12Å; E63-I65 HydrophobicContact CG-CG1 3.88Å; I65-V67 HydrophobicContact CG2-CG2 4.1Å; I65-W86 PolarHBondContact O-NE1 3.11Å; I65-V128 HydrophobicContact CG2-CG1 4.35Å; I65-V129 CarbonylContact C-O 3.52Å; I65-V129 WeakPolarHBondContact CA-O 3.26Å; I65-V130 HydrophobicContact CG1-CG2 4.36Å
66S97Very high87.8Confident22 Ų2259.2 Ų59.215%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-129.3136.4167.2-168.50000109.1V128 V129S66-V128 WeakPolarHBondContact O-CA 3.37Å; S66-V129 PolarHBondContact N-O 2.89Å; S66-V129 PolarHBondContact O-N 3.2Å
67V95.8Very high88.3Confident45 Ų4558.3 Ų58.327%0.27334%0.335SS..EExtended strand (participates in β ladder)trans-128129.8175.5-1780000108.3I50 I65 T69 K126 C127 V128I50-V67 HydrophobicContact CD1-CB 3.99Å; I50-V67 HydrophobicContact CD1-CG2 3.6Å; I50-V67 HydrophobicContact CG1-CB 4.39Å; I50-V67 HydrophobicContact CG1-CG2 3.63Å; I65-V67 HydrophobicContact CG2-CG2 4.1Å; V67-T69 HydrophobicContact CG1-CG2 4.22Å; V67-K126 HydrophobicContact CG1-CG 4.11Å; V67-C127 WeakPolarHBondContact CA-O 3.34Å; V67-V128 HydrophobicContact CG1-CG2 4.33Å; V67-V128 HydrophobicContact CG2-CG1 4.21Å; V67-V128 HydrophobicContact CG2-CG2 4.07Å
68R94.8Very high88.9Confident99 Ų9958.4 Ų58.437%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-116.3127.3171.4-174.5179.4-74.4177.6-4.9107.8V75 D76 M77 E81 K126 C127R68-V75 HydrophobicContact CB-CG1 3.96Å; R68-V75 HydrophobicContact CG-CG1 3.69Å; R68-D76 PolarHBondContact NH1-O 2.75Å; R68-M77 HydrophobicContact CB-CE 4.05Å; R68-M77 HydrophobicContact CB-CG 3.87Å; R68-M77 HydrophobicContact CB-SD 3.68Å; R68-E81 IonicContact CZ-OE2 3.33Å; R68-E81 IonicContact NH1-OE2 2.72Å; R68-E81 PolarHBondContact NH1-OE2 3.25Å; R68-E81 IonicContact NH2-OE2 2.71Å; R68-E81 PolarHBondContact NH2-OE2 3.09Å; R68-K126 CarbonylContact O-C 3.55Å; R68-K126 WeakPolarHBondContact O-CA 3.32Å; R68-C127 PolarHBondContact N-O 3.39Å; R68-C127 PolarHBondContact O-N 2.86Å
69T92.7Very high89.8Confident105 Ų10551.3 Ų51.364%0.64430%0.299SS*.EExtended strand (participates in β ladder)trans-113.8154.9173.953.70000110.6V67 G125 K126V67-T69 HydrophobicContact CG1-CG2 4.22Å; T69-G125 CarbonylContact C-O 3.47Å; T69-G125 WeakPolarHBondContact CA-O 3.4Å; T69-K126 HydrophobicContact CG2-CB 4.44Å; T69-K126 HydrophobicContact CG2-CG 4.17Å
70S90.2Very high90.8Very high61 Ų6152.6 Ų52.643%0.42729%0.292SS..  trans-150.6154.3175-170.10000110.2G72 G125S70-G72 PolarHBondContact OG-N 2.95Å; S70-G72 VanDerWaalsContact OG-N 3.15Å; S70-G125 PolarHBondContact N-O 3.03Å; S70-G125 WeakPolarHBondContact O-CA 3.48Å
71T89Confident92.1Very high159 Ų15952.6 Ų52.698%0.97529%0.292SS*.SBendtrans-73.2-17167.152.90000112.4
72G85.6Confident93.1Very high32 Ų3252.5 Ų52.533%0.3329%0.292SS..SBendtrans-78.4157.5174.100000112.9S70 H74 G125S70-G72 PolarHBondContact OG-N 2.95Å; S70-G72 VanDerWaalsContact OG-N 3.15Å; G72-H74 VanDerWaalsContact C-N 3.3Å; G72-H74 PolarHBondContact O-N 2.87Å; G72-G125 VanDerWaalsContact O-CA 3.26Å; G72-G125 WeakPolarHBondContact O-CA 3.48Å; G72-G125 PolarHBondContact O-N 2.85Å
73T82.8Confident93.4Very high125 Ų12552.3 Ų52.377%0.76729%0.289SS*.SBendtrans-73.2-22.2179.254.10000113.4
74H85.1Confident93.5Very high136 Ų13654.7 Ų54.763%0.6330%0.303SS*.  trans-108.9114.3-179-164.768000111.4G72G72-H74 VanDerWaalsContact C-N 3.3Å; G72-H74 PolarHBondContact O-N 2.87Å
75V90.1Very high93.4Very high9 Ų958.1 Ų58.16%0.05532%0.324CS..  trans-128.1131.3172.6-173.30000108.5R68 C122 C127R68-V75 HydrophobicContact CB-CG1 3.96Å; R68-V75 HydrophobicContact CG-CG1 3.69Å; V75-C122 WeakPolarHBondContact O-CB 3.44Å; V75-C122 PolarHBondContact O-SG 2.82Å; V75-C127 HydrophobicContact CB-CB 4.3Å; V75-C127 HydrophobicContact CG1-CB 3.92Å
76D93.1Very high93.5Very high27 Ų2757.5 Ų57.514%0.14432%0.32CS..  trans-141.8162.4174.6-164.415000110.2R3 R68 K120R3-D76 IonicContact CZ-OD2 2.71Å; R3-D76 IonicContact NE-OD2 3.67Å; R3-D76 IonicContact NH2-OD2 2.64Å; R3-D76 PolarHBondContact NH2-OD2 3.04Å; R68-D76 PolarHBondContact NH1-O 2.75Å; D76-K120 IonicContact OD1-NZ 3.8Å; D76-K120 PolarHBondContact OD1-NZ 3.38Å; D76-K120 IonicContact OD2-NZ 3.01Å
77M95.1Very high93.5Very high2 Ų257.9 Ų57.91%0.0132%0.32CS..  trans-133.3132.9174.3-72.4-175.2-80.900110F7 R68 V82 K120 C127 V129F7-M77 WeakPolarHBondContact CE2-O 3.16Å; R68-M77 HydrophobicContact CB-CE 4.05Å; R68-M77 HydrophobicContact CB-CG 3.87Å; R68-M77 HydrophobicContact CB-SD 3.68Å; M77-V82 HydrophobicContact CB-CG2 3.81Å; M77-V82 HydrophobicContact CG-CG2 4.32Å; M77-V82 HydrophobicContact SD-CG2 3.84Å; M77-K120 PolarHBondContact O-NZ 3.44Å; M77-C127 VanDerWaalsContact CE-C 3.45Å; M77-C127 HydrophobicContact CE-CB 3.9Å; M77-C127 WeakPolarHBondContact CE-O 3.47Å; M77-V129 HydrophobicContact CB-CG2 4.35Å; M77-V129 HydrophobicContact CE-CB 4.2Å; M77-V129 HydrophobicContact CE-CG2 3.7Å; M77-V129 HydrophobicContact SD-CG2 4.48Å
78Q95.8Very high93.5Very high92 Ų9258.2 Ų58.243%0.4332%0.324SS..  trans-80.8148.6169.9-60.8-61.5-28.600109.9E81 V82Q78-E81 HydrophobicContact CB-CB 4.3Å; Q78-E81 HydrophobicContact CB-CG 3.96Å; Q78-E81 PolarHBondContact O-N 2.99Å; Q78-V82 PolarHBondContact O-N 2.92Å
79G94.6Very high93.6Very high0 Ų055.3 Ų55.30%032%0.316CS..Hα-helixtrans-62.3-53.1-173.800000111.9D10 C11 E81 V82 V83D10-G79 WeakPolarHBondContact OD2-CA 3.35Å; D10-G79 PolarHBondContact OD2-N 3.02Å; C11-G79 WeakPolarHBondContact SG-CA 3.35Å; G79-E81 VanDerWaalsContact C-N 3.27Å; G79-E81 PolarHBondContact O-N 2.73Å; G79-V82 PolarHBondContact O-N 3.05Å; G79-V82 VanDerWaalsContact O-N 3.11Å; G79-V83 WeakPolarHBondContact O-CG2 2.78Å; G79-V83 PolarHBondContact O-N 2.89Å
80H95.4Very high93.7Very high75 Ų7551.2 Ų51.235%0.34729%0.293SS..Hα-helixtrans-60.2-32.7178.866.5-85.8000113.4D10 A14 V83 N84D10-H80 IonicContact OD1-ND1 2.67Å; D10-H80 IonicContact OD2-CE1 3.53Å; D10-H80 IonicContact OD2-CG 3.63Å; D10-H80 PolarHBondContact OD2-N 2.97Å; D10-H80 IonicContact OD2-ND1 3.61Å; D10-H80 PolarHBondContact OD2-ND1 3.47Å; A14-H80 HydrophobicContact CB-CB 4.06Å; H80-V83 PolarHBondContact O-N 3.39Å; H80-N84 VanDerWaalsContact O-CB 3.24Å; H80-N84 WeakPolarHBondContact O-CB 3.2Å; H80-N84 PolarHBondContact O-N 2.96Å; H80-N84 PolarHBondContact O-ND2 2.7Å; H80-N84 VanDerWaalsContact O-ND2 3.1Å
81E97.1Very high93.9Very high73 Ų7356.6 Ų56.634%0.34131%0.311SS..Hα-helixtrans-62.8-45.1174.6-71.7-176.3168.400111.4R68 Q78 G79 N84 T85R68-E81 IonicContact CZ-OE2 3.33Å; R68-E81 IonicContact NH1-OE2 2.72Å; R68-E81 PolarHBondContact NH1-OE2 3.25Å; R68-E81 IonicContact NH2-OE2 2.71Å; R68-E81 PolarHBondContact NH2-OE2 3.09Å; Q78-E81 HydrophobicContact CB-CB 4.3Å; Q78-E81 HydrophobicContact CB-CG 3.96Å; Q78-E81 PolarHBondContact O-N 2.99Å; G79-E81 VanDerWaalsContact C-N 3.27Å; G79-E81 PolarHBondContact O-N 2.73Å; E81-N84 PolarHBondContact O-N 3.02Å; E81-T85 PolarHBondContact O-N 3.3Å; E81-T85 PolarHBondContact O-OG1 3.43Å
82V98.1Very high94.2Very high1 Ų153.3 Ų53.31%0.00629%0.288CS..Hα-helixtrans-62.5-47.3177175.40000110.4M77 Q78 G79 N84 T85 W86 V129M77-V82 HydrophobicContact CB-CG2 3.81Å; M77-V82 HydrophobicContact CG-CG2 4.32Å; M77-V82 HydrophobicContact SD-CG2 3.84Å; Q78-V82 PolarHBondContact O-N 2.92Å; G79-V82 PolarHBondContact O-N 3.05Å; G79-V82 VanDerWaalsContact O-N 3.11Å; V82-N84 PolarHBondContact O-N 2.78Å; V82-T85 WeakPolarHBondContact O-CB 3.21Å; V82-T85 PolarHBondContact O-N 3.39Å; V82-W86 HydrophobicContact CG1-CD2 3.88Å; V82-W86 HydrophobicContact CG1-CE3 4.15Å; V82-W86 HydrophobicContact CG1-CH2 3.8Å; V82-W86 HydrophobicContact CG1-CZ2 3.52Å; V82-W86 HydrophobicContact CG1-CZ3 4.12Å; V82-W86 PolarHBondContact O-N 2.65Å; V82-V129 HydrophobicContact CG1-CB 4.38Å; V82-V129 HydrophobicContact CG1-CG1 3.9Å; V82-V129 HydrophobicContact CG2-CB 4.34Å; V82-V129 HydrophobicContact CG2-CG1 4.38Å; V82-V129 HydrophobicContact CG2-CG2 4.19Å
83V97.8Very high94.7Very high0 Ų052.4 Ų52.40%027%0.274CS..Hα-helixtrans-64.4-40.1180-176.80000112.1C11 A14 H15 K18 G79 H80 T85 W86 H87 L108C11-V83 HydrophobicContact CB-CG2 4.4Å; A14-V83 HydrophobicContact CB-CB 3.74Å; A14-V83 HydrophobicContact CB-CG1 3.79Å; A14-V83 HydrophobicContact CB-CG2 3.9Å; H15-V83 WeakPolarHBondContact CE1-CG2 3.39Å; H15-V83 WeakPolarHBondContact ND1-CG2 3.41Å; K18-V83 HydrophobicContact CG-CG1 4.14Å; G79-V83 WeakPolarHBondContact O-CG2 2.78Å; G79-V83 PolarHBondContact O-N 2.89Å; H80-V83 PolarHBondContact O-N 3.39Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 2.93Å; V83-W86 PolarHBondContact O-N 3.2Å; V83-H87 VanDerWaalsContact O-CB 3.3Å; V83-H87 WeakPolarHBondContact O-CB 3.22Å; V83-H87 PolarHBondContact O-N 3.43Å; V83-L108 HydrophobicContact CG1-CD1 3.73Å
84N97.3Very high95.3Very high67 Ų6749.9 Ų49.936%0.35826%0.256SS..Hα-helixtrans-62.2-40.7175.2-76-29.6000111.4K18 H80 E81 V82 H87 S88K18-N84 WeakPolarHBondContact CE-OD1 3.38Å; K18-N84 PolarHBondContact NZ-OD1 3.15Å; H80-N84 VanDerWaalsContact O-CB 3.24Å; H80-N84 WeakPolarHBondContact O-CB 3.2Å; H80-N84 PolarHBondContact O-N 2.96Å; H80-N84 PolarHBondContact O-ND2 2.7Å; H80-N84 VanDerWaalsContact O-ND2 3.1Å; E81-N84 PolarHBondContact O-N 3.02Å; V82-N84 PolarHBondContact O-N 2.78Å; N84-H87 PolarHBondContact O-N 3.08Å; N84-S88 PolarHBondContact O-N 3.44Å; N84-S88 PolarHBondContact O-OG 2.74Å
85T97.5Very high95.6Very high74 Ų7445 Ų4545%0.45423%0.233SC..Hα-helixtrans-64.4-46.7176.3-54.20000111.3E81 V82 V83 H87 S88E81-T85 PolarHBondContact O-N 3.3Å; E81-T85 PolarHBondContact O-OG1 3.43Å; V82-T85 WeakPolarHBondContact O-CB 3.21Å; V82-T85 PolarHBondContact O-N 3.39Å; V83-T85 VanDerWaalsContact C-N 3.31Å; V83-T85 PolarHBondContact O-N 2.93Å; T85-H87 VanDerWaalsContact C-N 3.26Å; T85-H87 PolarHBondContact O-N 2.7Å; T85-S88 PolarHBondContact O-N 3.18Å; T85-S88 PolarHBondContact O-OG 3.16Å
86W98.1Very high95.7Very high3 Ų350.9 Ų50.91%0.01126%0.26CS..Hα-helixtrans-61.9-35.1174.4-70.2-18.8000112.5H15 S64 I65 V82 V83 N104 F105 L108 V129 A131H15-W86 AromaticContact CE1-CE3 3.87Å; H15-W86 AromaticContact CE1-CZ3 3.67Å; H15-W86 AromaticContact NE2-CE3 3.95Å; H15-W86 AromaticContact NE2-CZ3 3.87Å; S64-W86 WeakPolarHBondContact O-CZ2 3.49Å; I65-W86 PolarHBondContact O-NE1 3.11Å; V82-W86 HydrophobicContact CG1-CD2 3.88Å; V82-W86 HydrophobicContact CG1-CE3 4.15Å; V82-W86 HydrophobicContact CG1-CH2 3.8Å; V82-W86 HydrophobicContact CG1-CZ2 3.52Å; V82-W86 HydrophobicContact CG1-CZ3 4.12Å; V82-W86 PolarHBondContact O-N 2.65Å; V83-W86 PolarHBondContact O-N 3.2Å; W86-N104 HydrophobicContact CB-CB 3.83Å; W86-N104 HydrophobicContact CD2-CB 4.43Å; W86-N104 HydrophobicContact CG-CB 3.67Å; W86-F105 VanDerWaalsContact O-CA 3.23Å; W86-F105 WeakPolarHBondContact O-CA 3.27Å; W86-F105 VanDerWaalsContact O-CB 3.24Å; W86-F105 WeakPolarHBondContact O-CB 3.45Å; W86-F105 PolarHBondContact O-N 3.43Å; W86-L108 HydrophobicContact CB-CD1 4.09Å; W86-V129 HydrophobicContact CH2-CG1 4.13Å; W86-V129 HydrophobicContact CZ2-CG1 4.38Å; W86-A131 HydrophobicContact CH2-CB 3.51Å; W86-A131 HydrophobicContact CZ3-CB 3.55Å
87H97.9Very high95.7Very high30 Ų3053.4 Ų53.414%0.13927%0.273CS..Hα-helixtrans-72.8-33.9178.1-175.3-106.2000112.9K18 H22 V83 N84 T85 D89 A90 F105 L108K18-H87 HydrophobicContact CD-CB 4.21Å; K18-H87 HydrophobicContact CG-CB 4.05Å; H22-H87 AromaticContact CD2-NE2 3.72Å; H22-H87 AromaticContact NE2-CD2 3.86Å; H22-H87 AromaticContact NE2-CE1 3.93Å; H22-H87 AromaticContact NE2-NE2 2.94Å; H22-H87 PolarHBondContact NE2-NE2 3.35Å; V83-H87 VanDerWaalsContact O-CB 3.3Å; V83-H87 WeakPolarHBondContact O-CB 3.22Å; V83-H87 PolarHBondContact O-N 3.43Å; N84-H87 PolarHBondContact O-N 3.08Å; T85-H87 VanDerWaalsContact C-N 3.26Å; T85-H87 PolarHBondContact O-N 2.7Å; H87-D89 PolarHBondContact O-N 3Å; H87-A90 WeakPolarHBondContact O-CB 3.44Å; H87-A90 PolarHBondContact O-N 2.83Å; H87-F105 AromaticContact CD2-CD2 3.98Å; H87-L108 HydrophobicContact CB-CD1 4.41Å
88S96.6Very high95.4Very high52 Ų5253.6 Ų53.636%0.36428%0.275SS..Hα-helixtrans-63.7-21.3179.152.10000113.9N84 T85 A90 E91N84-S88 PolarHBondContact O-N 3.44Å; N84-S88 PolarHBondContact O-OG 2.74Å; T85-S88 PolarHBondContact O-N 3.18Å; T85-S88 PolarHBondContact O-OG 3.16Å; S88-A90 PolarHBondContact O-N 2.8Å; S88-E91 WeakPolarHBondContact O-CG 3.5Å; S88-E91 PolarHBondContact O-N 3.13Å
89D94.9Very high95.2Very high38 Ų3856.2 Ų56.220%0.20329%0.285CS..G310 helixtrans-57.6-15171.3-72.5-12.2000113H87 E91 N92 A102 F105H87-D89 PolarHBondContact O-N 3Å; D89-E91 PolarHBondContact O-N 3.25Å; D89-E91 VanDerWaalsContact O-N 3.16Å; D89-N92 PolarHBondContact O-N 2.85Å; D89-A102 HydrophobicContact CB-CB 4.1Å; D89-A102 VanDerWaalsContact O-CB 3.3Å; D89-A102 WeakPolarHBondContact O-CB 3.43Å; D89-F105 HydrophobicContact CB-CB 3.7Å
90A95.1Very high95Very high19 Ų1958.3 Ų58.316%0.15731%0.307CS..G310 helixtrans-53.2-28.6170.300000113.7H87 S88 N92 Y93 F105H87-A90 WeakPolarHBondContact O-CB 3.44Å; H87-A90 PolarHBondContact O-N 2.83Å; S88-A90 PolarHBondContact O-N 2.8Å; A90-N92 PolarHBondContact O-N 3.1Å; A90-Y93 PolarHBondContact O-N 3.3Å; A90-F105 HydrophobicContact CB-CD1 4.13Å; A90-F105 HydrophobicContact CB-CD2 3.66Å; A90-F105 HydrophobicContact CB-CE1 4.05Å; A90-F105 HydrophobicContact CB-CE2 3.58Å; A90-F105 HydrophobicContact CB-CG 3.94Å; A90-F105 HydrophobicContact CB-CZ 3.79Å
91E94.8Very high94.9Very high174 Ų17459.7 Ų59.781%0.81332%0.323SS*.G310 helixtrans-64.2-29.3176.4-66.6179.8-179.400112.2S88 D89S88-E91 WeakPolarHBondContact O-CG 3.5Å; S88-E91 PolarHBondContact O-N 3.13Å; D89-E91 PolarHBondContact O-N 3.25Å; D89-E91 VanDerWaalsContact O-N 3.16Å
92N95Very high94.8Very high91 Ų9156.3 Ų56.349%0.48731%0.307SS..G310 helixtrans-91.20.9179.4-61.7-47.9000112.9D89 A90 G100 P101D89-N92 PolarHBondContact O-N 2.85Å; A90-N92 PolarHBondContact O-N 3.1Å; N92-G100 VanDerWaalsContact O-CA 3.28Å; N92-G100 WeakPolarHBondContact O-CA 3.47Å; N92-P101 HydrophobicContact CB-CG 3.91Å
93Y96.3Very high94.7Very high12 Ų1258 Ų585%0.04732%0.324CS..  trans-100123.1-175.5-174.2-104.2000112.9A90 Y95 G98 A102 F105 T106 Y143 V147A90-Y93 PolarHBondContact O-N 3.3Å; Y93-Y95 AromaticContact CD1-CD1 3.72Å; Y93-Y95 HydrophobicContact CD1-CD1 3.72Å; Y93-Y95 AromaticContact CD1-CD2 3.89Å; Y93-Y95 HydrophobicContact CD1-CD2 3.89Å; Y93-Y95 AromaticContact CD1-CE1 3.76Å; Y93-Y95 HydrophobicContact CD1-CE1 3.76Å; Y93-Y95 AromaticContact CD1-CE2 3.92Å; Y93-Y95 HydrophobicContact CD1-CE2 3.92Å; Y93-Y95 AromaticContact CD1-CG 3.79Å; Y93-Y95 HydrophobicContact CD1-CG 3.79Å; Y93-Y95 AromaticContact CD1-CZ 3.87Å; Y93-Y95 AromaticContact CE1-CD1 3.61Å; Y93-Y95 HydrophobicContact CE1-CD1 3.61Å; Y93-Y95 HydrophobicContact CE1-CD2 4.47Å; Y93-Y95 AromaticContact CE1-CE1 3.94Å; Y93-Y95 HydrophobicContact CE1-CE1 3.94Å; Y93-Y95 AromaticContact CE1-CG 3.91Å; Y93-Y95 HydrophobicContact CE1-CG 3.91Å; Y93-Y95 WeakPolarHBondContact O-CD2 3.49Å; Y93-Y95 PolarHBondContact O-N 2.91Å; Y93-G98 VanDerWaalsContact OH-CA 3.29Å; Y93-G98 WeakPolarHBondContact OH-CA 3.24Å; Y93-A102 HydrophobicContact CD2-CB 4.1Å; Y93-A102 HydrophobicContact CG-CB 4.37Å; Y93-F105 AromaticContact CD1-CE1 3.87Å; Y93-F105 HydrophobicContact CD1-CE1 3.87Å; Y93-F105 HydrophobicContact CG-CD1 4.22Å; Y93-F105 AromaticContact CG-CE1 3.95Å; Y93-F105 HydrophobicContact CG-CE1 3.95Å; Y93-T106 HydrophobicContact CD2-CG2 3.61Å; Y93-T106 HydrophobicContact CE2-CG2 3.45Å; Y93-T106 VanDerWaalsContact CE2-CG2 3.45Å; Y93-T106 HydrophobicContact CG-CG2 4.35Å; Y93-Y143 AromaticContact CE2-CD1 4Å; Y93-Y143 HydrophobicContact CE2-CD1 4Å; Y93-Y143 WeakPolarHBondContact OH-CB 3.47Å; Y93-V147 HydrophobicContact CD1-CG1 4.02Å; Y93-V147 HydrophobicContact CE1-CB 4.02Å; Y93-V147 HydrophobicContact CE1-CG1 3.4Å; Y93-V147 VanDerWaalsContact CE1-CG1 3.4Å
94N94.9Very high94.6Very high72 Ų7260 Ų6039%0.38534%0.335SS..BIsolated β-bridgetrans-89.7101.7174.2-174.6-26.2000110.8E96 N97 G98 K99N94-E96 PolarHBondContact O-N 2.82Å; N94-E96 WeakPolarHBondContact OD1-CB 3.32Å; N94-E96 PolarHBondContact OD1-N 3.2Å; N94-N97 WeakPolarHBondContact CB-OD1 3.4Å; N94-N97 VanDerWaalsContact CG-OD1 3.32Å; N94-N97 PolarHBondContact ND2-ND2 3.38Å; N94-N97 PolarHBondContact O-N 3.48Å; N94-N97 PolarHBondContact O-OD1 3.06Å; N94-G98 VanDerWaalsContact O-CA 3.3Å; N94-G98 WeakPolarHBondContact O-CA 3.25Å; N94-G98 PolarHBondContact O-N 2.94Å; N94-K99 WeakPolarHBondContact CB-O 3.43Å; N94-K99 PolarHBondContact N-O 2.91Å; N94-K99 PolarHBondContact O-N 2.81Å
95Y92.8Very high94.7Very high34 Ų3456.8 Ų56.813%0.13332%0.318CS..THydrogen-bonded Turntrans-67-13.9179.3-64.5-92.3000115.3Y93 F105 L144 V147 F148 R149Y93-Y95 AromaticContact CD1-CD1 3.72Å; Y93-Y95 HydrophobicContact CD1-CD1 3.72Å; Y93-Y95 AromaticContact CD1-CD2 3.89Å; Y93-Y95 HydrophobicContact CD1-CD2 3.89Å; Y93-Y95 AromaticContact CD1-CE1 3.76Å; Y93-Y95 HydrophobicContact CD1-CE1 3.76Å; Y93-Y95 AromaticContact CD1-CE2 3.92Å; Y93-Y95 HydrophobicContact CD1-CE2 3.92Å; Y93-Y95 AromaticContact CD1-CG 3.79Å; Y93-Y95 HydrophobicContact CD1-CG 3.79Å; Y93-Y95 AromaticContact CD1-CZ 3.87Å; Y93-Y95 AromaticContact CE1-CD1 3.61Å; Y93-Y95 HydrophobicContact CE1-CD1 3.61Å; Y93-Y95 HydrophobicContact CE1-CD2 4.47Å; Y93-Y95 AromaticContact CE1-CE1 3.94Å; Y93-Y95 HydrophobicContact CE1-CE1 3.94Å; Y93-Y95 AromaticContact CE1-CG 3.91Å; Y93-Y95 HydrophobicContact CE1-CG 3.91Å; Y93-Y95 WeakPolarHBondContact O-CD2 3.49Å; Y93-Y95 PolarHBondContact O-N 2.91Å; Y95-F105 HydrophobicContact CE1-CE1 4.42Å; Y95-F105 HydrophobicContact CE1-CZ 4.25Å; Y95-F105 WeakPolarHBondContact OH-CZ 3.34Å; Y95-L144 VanDerWaalsContact O-CD2 3.26Å; Y95-L144 WeakPolarHBondContact O-CD2 3.29Å; Y95-V147 HydrophobicContact CE1-CG1 4.15Å; Y95-F148 WeakPolarHBondContact CE1-O 3.42Å; Y95-R149 VanDerWaalsContact CB-CZ 3.47Å; Y95-R149 HydrophobicContact CD1-CB 4.24Å; Y95-R149 HydrophobicContact CD1-CG 3.46Å; Y95-R149 VanDerWaalsContact CD1-CG 3.46Å; Y95-R149 HydrophobicContact CD2-CG 3.98Å; Y95-R149 HydrophobicContact CE1-CB 4.35Å; Y95-R149 HydrophobicContact CE1-CG 4Å; Y95-R149 HydrophobicContact CE2-CG 4.47Å; Y95-R149 HydrophobicContact CG-CG 3.45Å; Y95-R149 VanDerWaalsContact CG-CG 3.45Å
96E92.3Very high94.7Very high133 Ų13353.4 Ų53.462%0.62130%0.297SS*.THydrogen-bonded Turntrans-80.4-33.3179.2-61.2-57.1139.400111.9N94 R149N94-E96 PolarHBondContact O-N 2.82Å; N94-E96 WeakPolarHBondContact OD1-CB 3.32Å; N94-E96 PolarHBondContact OD1-N 3.2Å; E96-R149 IonicContact OE1-CZ 2.69Å; E96-R149 IonicContact OE1-NE 3.6Å; E96-R149 IonicContact OE1-NH2 3.52Å; E96-R149 PolarHBondContact OE1-NH2 3.22Å
97N92.1Very high94.6Very high79 Ų7953.3 Ų53.342%0.42230%0.297SS..THydrogen-bonded Turntrans-121.1-3.5-17865.819.6000113.9N94 K99N94-N97 WeakPolarHBondContact CB-OD1 3.4Å; N94-N97 VanDerWaalsContact CG-OD1 3.32Å; N94-N97 PolarHBondContact ND2-ND2 3.38Å; N94-N97 PolarHBondContact O-N 3.48Å; N94-N97 PolarHBondContact O-OD1 3.06Å; N97-K99 WeakPolarHBondContact OD1-CB 3.32Å; N97-K99 PolarHBondContact OD1-N 3.41Å
98G89.4Confident94.6Very high6 Ų651.9 Ų51.96%0.06229%0.29CS..THydrogen-bonded Turntrans71.324.8177.700000114.9Y93 N94Y93-G98 VanDerWaalsContact OH-CA 3.29Å; Y93-G98 WeakPolarHBondContact OH-CA 3.24Å; N94-G98 VanDerWaalsContact O-CA 3.3Å; N94-G98 WeakPolarHBondContact O-CA 3.25Å; N94-G98 PolarHBondContact O-N 2.94Å
99K91.9Very high94.6Very high148 Ų14849.4 Ų49.464%0.64327%0.273SS*.BIsolated β-bridgetrans-111.4160.8-177.3-59.9-176.3177.7-177.10112.3N94 N97N94-K99 WeakPolarHBondContact CB-O 3.43Å; N94-K99 PolarHBondContact N-O 2.91Å; N94-K99 PolarHBondContact O-N 2.81Å; N97-K99 WeakPolarHBondContact OD1-CB 3.32Å; N97-K99 PolarHBondContact OD1-N 3.41Å
100G90.3Very high94.4Very high44 Ų4447.8 Ų47.845%0.45426%0.264SS..SBendtrans138.2156.4174.200000112.6N92 A102N92-G100 VanDerWaalsContact O-CA 3.28Å; N92-G100 WeakPolarHBondContact O-CA 3.47Å; G100-A102 PolarHBondContact O-N 2.76Å
101P93.6Very high93.6Very high104 Ų10447 Ų4768%0.67526%0.258SS*.SBendtrans-7672.7176.933-35.2000110.2N92N92-P101 HydrophobicContact CB-CG 3.91Å
102A95.2Very high92.6Very high1 Ų140.7 Ų40.71%0.00823%0.233CC..  trans-13632.2-172.100000113.2D89 Y93 G100 N104 F105 T106D89-A102 HydrophobicContact CB-CB 4.1Å; D89-A102 VanDerWaalsContact O-CB 3.3Å; D89-A102 WeakPolarHBondContact O-CB 3.43Å; Y93-A102 HydrophobicContact CD2-CB 4.1Å; Y93-A102 HydrophobicContact CG-CB 4.37Å; G100-A102 PolarHBondContact O-N 2.76Å; A102-N104 VanDerWaalsContact C-N 3.33Å; A102-N104 PolarHBondContact O-N 2.84Å; A102-F105 HydrophobicContact CB-CB 4.27Å; A102-F105 HydrophobicContact CB-CD1 4.11Å; A102-F105 WeakPolarHBondContact O-CB 3.29Å; A102-F105 PolarHBondContact O-N 2.85Å; A102-F105 VanDerWaalsContact O-N 3.15Å; A102-T106 HydrophobicContact CB-CG2 4.41Å; A102-T106 WeakPolarHBondContact O-CG2 3.3Å; A102-T106 PolarHBondContact O-N 2.95Å; A102-T106 PolarHBondContact O-OG1 2.84Å; A102-T106 VanDerWaalsContact O-OG1 3.05Å
103G94.4Very high91.7Very high36 Ų3636.4 Ų36.437%0.37121%0.21SC..Hα-helixtrans-57.8-39-171.200000114.4T106 Q107 N138G103-T106 WeakPolarHBondContact CA-OG1 3.31Å; G103-T106 PolarHBondContact O-OG1 2.92Å; G103-Q107 WeakPolarHBondContact O-CB 3.44Å; G103-Q107 PolarHBondContact O-N 2.87Å; G103-Q107 VanDerWaalsContact O-N 3.15Å; G103-N138 PolarHBondContact O-ND2 2.92Å
104N97Very high90.6Very high43 Ų4339.3 Ų39.323%0.2322%0.221CC..Hα-helixtrans-68-47176.3-66.8-39.1000111S64 W86 A102 Q107 L108S64-N104 VanDerWaalsContact CA-OD1 3.3Å; S64-N104 WeakPolarHBondContact CA-OD1 3.37Å; S64-N104 VanDerWaalsContact CB-OD1 3.24Å; S64-N104 WeakPolarHBondContact CB-OD1 3.24Å; S64-N104 PolarHBondContact OG-OD1 2.79Å; W86-N104 HydrophobicContact CB-CB 3.83Å; W86-N104 HydrophobicContact CD2-CB 4.43Å; W86-N104 HydrophobicContact CG-CB 3.67Å; A102-N104 VanDerWaalsContact C-N 3.33Å; A102-N104 PolarHBondContact O-N 2.84Å; N104-Q107 PolarHBondContact O-N 2.7Å; N104-L108 WeakPolarHBondContact O-CB 3.47Å; N104-L108 PolarHBondContact O-N 2.79Å
105F98.1Very high89.7Confident0 Ų037.8 Ų37.80%021%0.211CC..Hα-helixtrans-56.3-53.3175.2162.3-109.1000111.9H22 W86 H87 D89 A90 Y93 Y95 A102 Q107 L108 V109 V147H22-F105 AromaticContact CE1-CE2 3.41Å; H22-F105 VanDerWaalsContact CE1-CE2 3.41Å; H22-F105 WeakPolarHBondContact CE1-CE2 3.48Å; H22-F105 AromaticContact CE1-CZ 3.48Å; H22-F105 VanDerWaalsContact CE1-CZ 3.48Å; H22-F105 WeakPolarHBondContact CE1-CZ 3.4Å; H22-F105 AromaticContact NE2-CE2 3.71Å; W86-F105 VanDerWaalsContact O-CA 3.23Å; W86-F105 WeakPolarHBondContact O-CA 3.27Å; W86-F105 VanDerWaalsContact O-CB 3.24Å; W86-F105 WeakPolarHBondContact O-CB 3.45Å; W86-F105 PolarHBondContact O-N 3.43Å; H87-F105 AromaticContact CD2-CD2 3.98Å; D89-F105 HydrophobicContact CB-CB 3.7Å; A90-F105 HydrophobicContact CB-CD1 4.13Å; A90-F105 HydrophobicContact CB-CD2 3.66Å; A90-F105 HydrophobicContact CB-CE1 4.05Å; A90-F105 HydrophobicContact CB-CE2 3.58Å; A90-F105 HydrophobicContact CB-CG 3.94Å; A90-F105 HydrophobicContact CB-CZ 3.79Å; Y93-F105 AromaticContact CD1-CE1 3.87Å; Y93-F105 HydrophobicContact CD1-CE1 3.87Å; Y93-F105 HydrophobicContact CG-CD1 4.22Å; Y93-F105 AromaticContact CG-CE1 3.95Å; Y93-F105 HydrophobicContact CG-CE1 3.95Å; Y95-F105 HydrophobicContact CE1-CE1 4.42Å; Y95-F105 HydrophobicContact CE1-CZ 4.25Å; Y95-F105 WeakPolarHBondContact OH-CZ 3.34Å; A102-F105 HydrophobicContact CB-CB 4.27Å; A102-F105 HydrophobicContact CB-CD1 4.11Å; A102-F105 WeakPolarHBondContact O-CB 3.29Å; A102-F105 PolarHBondContact O-N 2.85Å; A102-F105 VanDerWaalsContact O-N 3.15Å; F105-Q107 VanDerWaalsContact C-N 3.26Å; F105-Q107 PolarHBondContact O-N 3.16Å; F105-L108 WeakPolarHBondContact O-CB 3.32Å; F105-L108 PolarHBondContact O-N 3.29Å; F105-L108 VanDerWaalsContact O-N 3.14Å; F105-V109 HydrophobicContact CD2-CG1 4.16Å; F105-V109 HydrophobicContact CD2-CG2 4.26Å; F105-V109 HydrophobicContact CE1-CG2 4.21Å; F105-V109 HydrophobicContact CE2-CB 4.36Å; F105-V109 HydrophobicContact CE2-CG1 3.71Å; F105-V109 HydrophobicContact CE2-CG2 3.69Å; F105-V109 HydrophobicContact CZ-CG1 4.46Å; F105-V109 HydrophobicContact CZ-CG2 3.66Å; F105-V109 WeakPolarHBondContact O-CG2 3.21Å; F105-V109 PolarHBondContact O-N 2.72Å; F105-V147 HydrophobicContact CE1-CG1 3.57Å; F105-V147 HydrophobicContact CZ-CG1 3.91Å
106T97.5Very high89.5Confident2 Ų236.2 Ų36.21%0.01221%0.205CC..Hα-helixtrans-62.4-36-175.450.10000111.4Y93 A102 G103 W110 N138 Y143 V147Y93-T106 HydrophobicContact CD2-CG2 3.61Å; Y93-T106 HydrophobicContact CE2-CG2 3.45Å; Y93-T106 VanDerWaalsContact CE2-CG2 3.45Å; Y93-T106 HydrophobicContact CG-CG2 4.35Å; A102-T106 HydrophobicContact CB-CG2 4.41Å; A102-T106 WeakPolarHBondContact O-CG2 3.3Å; A102-T106 PolarHBondContact O-N 2.95Å; A102-T106 PolarHBondContact O-OG1 2.84Å; A102-T106 VanDerWaalsContact O-OG1 3.05Å; G103-T106 WeakPolarHBondContact CA-OG1 3.31Å; G103-T106 PolarHBondContact O-OG1 2.92Å; T106-W110 WeakPolarHBondContact O-CA 3.3Å; T106-W110 WeakPolarHBondContact O-CB 3.28Å; T106-W110 PolarHBondContact O-N 2.94Å; T106-W110 VanDerWaalsContact O-N 3.07Å; T106-N138 VanDerWaalsContact CB-OD1 3.27Å; T106-N138 WeakPolarHBondContact CB-OD1 3.3Å; T106-N138 PolarHBondContact OG1-OD1 3.49Å; T106-Y143 HydrophobicContact CG2-CD1 4.03Å; T106-Y143 HydrophobicContact CG2-CE1 3.97Å; T106-V147 HydrophobicContact CG2-CG1 4.3Å; T106-V147 HydrophobicContact CG2-CG2 4.01Å
107Q97.2Very high89.3Confident1 Ų129.9 Ų29.91%0.00518%0.175CC..Hα-helixtrans-67.1-47.1173.9179.557.480.500112G62 G103 N104 F105 V109 W110 T113 Y133 N138G62-Q107 VanDerWaalsContact CA-OE1 3.23Å; G103-Q107 WeakPolarHBondContact O-CB 3.44Å; G103-Q107 PolarHBondContact O-N 2.87Å; G103-Q107 VanDerWaalsContact O-N 3.15Å; N104-Q107 PolarHBondContact O-N 2.7Å; F105-Q107 VanDerWaalsContact C-N 3.26Å; F105-Q107 PolarHBondContact O-N 3.16Å; Q107-V109 VanDerWaalsContact C-N 3.3Å; Q107-V109 PolarHBondContact O-N 3.43Å; Q107-W110 WeakPolarHBondContact O-CB 3.39Å; Q107-W110 PolarHBondContact O-N 3.04Å; Q107-T113 PolarHBondContact NE2-OG1 2.67Å; Q107-Y133 HydrophobicContact CB-CE2 4.46Å; Q107-Y133 HydrophobicContact CG-CD1 4.11Å; Q107-Y133 HydrophobicContact CG-CD2 3.24Å; Q107-Y133 HydrophobicContact CG-CE1 4.17Å; Q107-Y133 HydrophobicContact CG-CE2 3.32Å; Q107-Y133 HydrophobicContact CG-CG 3.63Å; Q107-N138 PolarHBondContact N-OD1 2.93Å
108L97.7Very high89.6Confident0 Ų026.1 Ų26.10%016%0.155CC..Hα-helixtrans-55.4-45.5179.8-176.9163000111.2K18 R19 V83 W86 H87 N104 F105K18-L108 HydrophobicContact CB-CD2 3.71Å; R19-L108 WeakPolarHBondContact CD-O 3.49Å; R19-L108 HydrophobicContact CG-CD2 4.23Å; R19-L108 VanDerWaalsContact CG-O 3.3Å; R19-L108 WeakPolarHBondContact CG-O 3.3Å; R19-L108 PolarHBondContact NH1-O 3.44Å; V83-L108 HydrophobicContact CG1-CD1 3.73Å; W86-L108 HydrophobicContact CB-CD1 4.09Å; H87-L108 HydrophobicContact CB-CD1 4.41Å; N104-L108 WeakPolarHBondContact O-CB 3.47Å; N104-L108 PolarHBondContact O-N 2.79Å; F105-L108 WeakPolarHBondContact O-CB 3.32Å; F105-L108 PolarHBondContact O-N 3.29Å; F105-L108 VanDerWaalsContact O-N 3.14Å
109V95.4Very high90Very high0 Ų025.8 Ų25.80%015%0.152CC..THydrogen-bonded Turntrans-95.18.1-177.8-53.70000114.4H22 F105 Q107 S111 V147H22-V109 HydrophobicContact CB-CB 4.35Å; H22-V109 HydrophobicContact CB-CG1 4.39Å; F105-V109 HydrophobicContact CD2-CG1 4.16Å; F105-V109 HydrophobicContact CD2-CG2 4.26Å; F105-V109 HydrophobicContact CE1-CG2 4.21Å; F105-V109 HydrophobicContact CE2-CB 4.36Å; F105-V109 HydrophobicContact CE2-CG1 3.71Å; F105-V109 HydrophobicContact CE2-CG2 3.69Å; F105-V109 HydrophobicContact CZ-CG1 4.46Å; F105-V109 HydrophobicContact CZ-CG2 3.66Å; F105-V109 WeakPolarHBondContact O-CG2 3.21Å; F105-V109 PolarHBondContact O-N 2.72Å; Q107-V109 VanDerWaalsContact C-N 3.3Å; Q107-V109 PolarHBondContact O-N 3.43Å; V109-S111 PolarHBondContact O-N 3.29Å; V109-S111 VanDerWaalsContact O-N 3.1Å; V109-V147 HydrophobicContact CG2-CB 4.47Å; V109-V147 HydrophobicContact CG2-CG1 3.81Å; V109-V147 HydrophobicContact CG2-CG2 4.4Å
110W90.4Very high90.2Very high5 Ų519.9 Ų19.92%0.01913%0.126CC..  trans-60.1117.7-175.6-161.8-100.9000111.4R19 T106 Q107 S112 T113 G137 V139 R142 Y143 N146 V147R19-W110 PolarHBondContact NH1-O 3.39Å; R19-W110 PolarHBondContact NH2-O 3.05Å; T106-W110 WeakPolarHBondContact O-CA 3.3Å; T106-W110 WeakPolarHBondContact O-CB 3.28Å; T106-W110 PolarHBondContact O-N 2.94Å; T106-W110 VanDerWaalsContact O-N 3.07Å; Q107-W110 WeakPolarHBondContact O-CB 3.39Å; Q107-W110 PolarHBondContact O-N 3.04Å; W110-S112 PolarHBondContact O-N 3.5Å; W110-T113 PolarHBondContact O-N 2.91Å; W110-G137 VanDerWaalsContact CD2-CA 3.5Å; W110-V139 HydrophobicContact CH2-CB 4.48Å; W110-V139 HydrophobicContact CZ2-CB 4.07Å; W110-V139 HydrophobicContact CZ2-CG2 4.33Å; W110-R142 HydrophobicContact CH2-CB 3.91Å; W110-R142 WeakPolarHBondContact CH2-O 3.14Å; W110-R142 HydrophobicContact CZ2-CB 3.72Å; W110-Y143 HydrophobicContact CH2-CD1 4.47Å; W110-Y143 HydrophobicContact CH2-CG 4.4Å; W110-Y143 AromaticContact CZ3-CD1 3.86Å; W110-Y143 HydrophobicContact CZ3-CD1 3.86Å; W110-Y143 HydrophobicContact CZ3-CE1 4.07Å; W110-Y143 HydrophobicContact CZ3-CG 4.21Å; W110-N146 HydrophobicContact CD2-CB 3.47Å; W110-N146 VanDerWaalsContact CD2-CB 3.47Å; W110-N146 VanDerWaalsContact CE2-CB 3.48Å; W110-N146 HydrophobicContact CE3-CB 3.78Å; W110-N146 HydrophobicContact CG-CB 4Å; W110-N146 HydrophobicContact CH2-CB 4.09Å; W110-N146 HydrophobicContact CZ2-CB 3.81Å; W110-N146 VanDerWaalsContact CZ2-ND2 3.35Å; W110-N146 WeakPolarHBondContact CZ2-ND2 3.48Å; W110-N146 HydrophobicContact CZ3-CB 4.07Å; W110-N146 PolarHBondContact NE1-OD1 3.45Å; W110-V147 HydrophobicContact CE3-CG2 3.78Å; W110-V147 HydrophobicContact CZ3-CG2 4Å
111S80.1Confident90.5Very high3 Ų318.1 Ų18.12%0.02111%0.107CC..THydrogen-bonded Turntrans-63.4-28.7-170.4860000113.7V109 R114 N146V109-S111 PolarHBondContact O-N 3.29Å; V109-S111 VanDerWaalsContact O-N 3.1Å; S111-R114 PolarHBondContact O-NH1 3.19Å; S111-N146 WeakPolarHBondContact CB-O 3.32Å; S111-N146 PolarHBondContact N-O 3.27Å; S111-N146 PolarHBondContact OG-OD1 2.78Å
112S72.3Confident90.6Very high41 Ų4115.8 Ų15.829%0.2879%0.093SC..THydrogen-bonded Turntrans-89.3-10.9-178.1-60.10000114.2W110 R114 N146W110-S112 PolarHBondContact O-N 3.5Å; S112-R114 VanDerWaalsContact CA-NH1 3.27Å; S112-R114 PolarHBondContact O-NH1 2.8Å; S112-R114 VanDerWaalsContact O-NH1 3.07Å; S112-N146 VanDerWaalsContact CB-OD1 3.32Å; S112-N146 WeakPolarHBondContact CB-OD1 3.34Å; S112-N146 PolarHBondContact N-OD1 2.8Å; S112-N146 VanDerWaalsContact N-OD1 3.08Å; S112-N146 PolarHBondContact OG-OD1 2.88Å
113T77.4Confident90.4Very high1 Ų116.9 Ų16.91%0.00610%0.104CC..  trans-70.8144.1173.4-63.30000110L27 Q107 W110 Y133 P135L27-T113 HydrophobicContact CD1-CG2 4.37Å; L27-T113 HydrophobicContact CD2-CG2 3.74Å; L27-T113 WeakPolarHBondContact CD2-O 3.45Å; Q107-T113 PolarHBondContact NE2-OG1 2.67Å; W110-T113 PolarHBondContact O-N 2.91Å; T113-Y133 HydrophobicContact CG2-CD1 3.99Å; T113-Y133 HydrophobicContact CG2-CG 4.33Å; T113-P135 PolarHBondContact OG1-O 3.09Å
114R73.4Confident90.2Very high73 Ų7320.9 Ų20.928%0.27512%0.124SC..  trans-126.5-31.2-170.4-62.9-68.3173.8-94.1-1.1113.7L27 R28 S111 S112 R134L27-R114 CarbonylContact C-O 3.59Å; L27-R114 WeakPolarHBondContact CA-O 3.34Å; R28-R114 PolarHBondContact N-O 3Å; S111-R114 PolarHBondContact O-NH1 3.19Å; S112-R114 VanDerWaalsContact CA-NH1 3.27Å; S112-R114 PolarHBondContact O-NH1 2.8Å; S112-R114 VanDerWaalsContact O-NH1 3.07Å; R114-R134 PolarHBondContact N-O 2.8Å
115E75.3Confident90Very high40 Ų4019.5 Ų19.519%0.18712%0.12CC..EExtended strand (participates in β ladder)trans-135.7154.4179.759.6179.8-140.200111.5R28 L33 Y133 R134R28-E115 HydrophobicContact CB-CB 4.42Å; R28-E115 CarbonylContact O-C 3.5Å; R28-E115 WeakPolarHBondContact O-CA 3.46Å; R28-E115 WeakPolarHBondContact O-CB 3.49Å; L33-E115 HydrophobicContact CD1-CB 4.43Å; L33-E115 HydrophobicContact CD1-CG 3.79Å; E115-Y133 WeakPolarHBondContact O-CA 3.36Å; E115-R134 HydrophobicContact CG-CB 3.6Å; E115-R134 WeakPolarHBondContact CG-O 3.27Å; E115-R134 PolarHBondContact N-O 3.2Å; E115-R134 PolarHBondContact O-N 3.03Å; E115-R134 WeakPolarHBondContact OE1-CB 3.42Å; E115-R134 VanDerWaalsContact OE1-CD 3.32Å; E115-R134 WeakPolarHBondContact OE1-CD 3.48Å; E115-R134 IonicContact OE1-CZ 3.95Å; E115-R134 IonicContact OE1-NE 2.73Å; E115-R134 IonicContact OE1-NH1 3.86Å; E115-R134 PolarHBondContact OE1-NH1 2.79Å
116V89.5Confident89.8Confident0 Ų021.2 Ų21.20%013%0.127CC..EExtended strand (participates in β ladder)trans-141.8149.2177.963.90000109.6F12 L27 R28 H29 S30 F118 A131 H132 Y133F12-V116 HydrophobicContact CD2-CG1 4.05Å; F12-V116 HydrophobicContact CE2-CG1 4.43Å; L27-V116 HydrophobicContact CB-CB 4.46Å; L27-V116 HydrophobicContact CB-CG1 3.88Å; L27-V116 HydrophobicContact CD1-CB 3.75Å; L27-V116 HydrophobicContact CD1-CG1 3.78Å; L27-V116 HydrophobicContact CG-CG1 4.46Å; R28-V116 PolarHBondContact O-N 2.74Å; H29-V116 CarbonylContact C-O 3.58Å; H29-V116 WeakPolarHBondContact CA-O 3.48Å; S30-V116 PolarHBondContact N-O 3.06Å; V116-F118 HydrophobicContact CB-CZ 4.13Å; V116-F118 HydrophobicContact CG1-CE2 3.8Å; V116-F118 HydrophobicContact CG1-CZ 3.58Å; V116-F118 HydrophobicContact CG2-CD1 4.26Å; V116-F118 HydrophobicContact CG2-CE1 3.47Å; V116-F118 VanDerWaalsContact CG2-CE1 3.47Å; V116-F118 HydrophobicContact CG2-CE2 4.09Å; V116-F118 HydrophobicContact CG2-CZ 3.39Å; V116-A131 HydrophobicContact CG2-CB 4.27Å; V116-H132 CarbonylContact C-O 3.55Å; V116-H132 VanDerWaalsContact CA-O 3.24Å; V116-H132 WeakPolarHBondContact CA-O 3.46Å; V116-H132 WeakPolarHBondContact CG2-O 3.36Å; V116-Y133 HydrophobicContact CB-CD1 4.01Å; V116-Y133 HydrophobicContact CB-CE1 4.27Å; V116-Y133 HydrophobicContact CG2-CD1 3.66Å; V116-Y133 HydrophobicContact CG2-CE1 3.58Å; V116-Y133 HydrophobicContact CG2-CG 4.32Å
117G87.6Confident89.7Confident0 Ų021.1 Ų21.10%013%0.127CC..EExtended strand (participates in β ladder)trans-140.1156.516500000111.1D34 A131 H132D34-G117 VanDerWaalsContact OD1-C 3.29Å; D34-G117 WeakPolarHBondContact OD1-CA 3.27Å; G117-A131 CarbonylContact O-C 3.48Å; G117-A131 VanDerWaalsContact O-CA 3.31Å; G117-A131 WeakPolarHBondContact O-CA 3.46Å; G117-H132 PolarHBondContact N-O 3.45Å; G117-H132 PolarHBondContact O-N 3.44Å
118F97.2Very high89.7Confident0 Ų021.1 Ų21.10%013%0.127CC..EExtended strand (participates in β ladder)trans-126.7140.3-169.8-49-78.2000112.5F7 R8 C11 F12 H15 D34 V116 V130 A131F7-F118 HydrophobicContact CE1-CB 4.45Å; R8-F118 HydrophobicContact CG-CB 4.12Å; R8-F118 PolarHBondContact NE-O 3.29Å; C11-F118 HydrophobicContact CB-CB 4.43Å; C11-F118 HydrophobicContact CB-CD1 3.72Å; C11-F118 HydrophobicContact CB-CD2 3.72Å; C11-F118 HydrophobicContact CB-CE1 3.82Å; C11-F118 HydrophobicContact CB-CE2 3.8Å; C11-F118 HydrophobicContact CB-CG 3.67Å; C11-F118 HydrophobicContact CB-CZ 3.84Å; F12-F118 HydrophobicContact CB-CE2 3.88Å; F12-F118 HydrophobicContact CD2-CE2 4.45Å; H15-F118 AromaticContact CE1-CE1 3.27Å; H15-F118 WeakPolarHBondContact CE1-CE1 3.38Å; H15-F118 AromaticContact CE1-CZ 3.68Å; H15-F118 AromaticContact CG-CZ 3.93Å; H15-F118 AromaticContact ND1-CE1 3.62Å; H15-F118 AromaticContact ND1-CZ 3.52Å; H15-F118 AromaticContact NE2-CE1 3.76Å; D34-F118 PolarHBondContact OD1-N 2.76Å; V116-F118 HydrophobicContact CB-CZ 4.13Å; V116-F118 HydrophobicContact CG1-CE2 3.8Å; V116-F118 HydrophobicContact CG1-CZ 3.58Å; V116-F118 HydrophobicContact CG2-CD1 4.26Å; V116-F118 HydrophobicContact CG2-CE1 3.47Å; V116-F118 VanDerWaalsContact CG2-CE1 3.47Å; V116-F118 HydrophobicContact CG2-CE2 4.09Å; V116-F118 HydrophobicContact CG2-CZ 3.39Å; F118-V130 CarbonylContact C-O 3.58Å; F118-V130 WeakPolarHBondContact CA-O 3.02Å; F118-A131 HydrophobicContact CD1-CB 3.65Å; F118-A131 HydrophobicContact CE1-CB 3.74Å
119G97.2Very high89.8Confident0 Ų021.1 Ų21.10%013%0.127CC..EExtended strand (participates in β ladder)trans-124146.217000000111.3V129 V130G119-V129 WeakPolarHBondContact O-CA 3.16Å; G119-V130 PolarHBondContact N-O 2.95Å; G119-V130 PolarHBondContact O-N 3.4Å
120K97.9Very high89.9Confident23 Ų2321.1 Ų21.110%0.113%0.127CC..EExtended strand (participates in β ladder)trans-138.5130.1170.5-179.7169.866.8168.40110.3L4 F7 Q38 D76 M77 V128 V129L4-K120 HydrophobicContact CD1-CB 4.06Å; F7-K120 HydrophobicContact CD1-CB 3.82Å; F7-K120 HydrophobicContact CD1-CD 4.4Å; F7-K120 HydrophobicContact CD2-CD 3.86Å; F7-K120 HydrophobicContact CE1-CB 3.61Å; F7-K120 HydrophobicContact CE1-CD 4.33Å; F7-K120 HydrophobicContact CE1-CG 4.49Å; F7-K120 HydrophobicContact CE2-CD 3.75Å; F7-K120 HydrophobicContact CG-CB 4.41Å; F7-K120 HydrophobicContact CG-CD 4.18Å; F7-K120 HydrophobicContact CZ-CB 4.02Å; F7-K120 HydrophobicContact CZ-CD 4.01Å; F7-K120 HydrophobicContact CZ-CG 4.46Å; Q38-K120 PolarHBondContact NE2-O 3.13Å; Q38-K120 PolarHBondContact OE1-O 2.85Å; D76-K120 IonicContact OD1-NZ 3.8Å; D76-K120 PolarHBondContact OD1-NZ 3.38Å; D76-K120 IonicContact OD2-NZ 3.01Å; M77-K120 PolarHBondContact O-NZ 3.44Å; K120-V128 WeakPolarHBondContact CA-O 3.39Å; K120-V129 HydrophobicContact CB-CG2 4.03Å; K120-V129 HydrophobicContact CD-CG2 3.98Å; K120-V129 HydrophobicContact CG-CG2 3.82Å
121A96.1Very high90.3Very high7 Ų720.9 Ų20.96%0.05813%0.126CC..EExtended strand (participates in β ladder)trans-133.1126.5172.600000109A41 E42 L45 C127 V128A41-A121 HydrophobicContact CB-CB 3.99Å; E42-A121 HydrophobicContact CB-CB 4.37Å; E42-A121 HydrophobicContact CG-CB 3.73Å; L45-A121 HydrophobicContact CD1-CB 3.38Å; L45-A121 WeakPolarHBondContact CD2-O 3.3Å; L45-A121 HydrophobicContact CG-CB 3.8Å; A121-C127 WeakPolarHBondContact O-CA 3.47Å; A121-C127 PolarHBondContact O-SG 2.96Å; A121-C127 VanDerWaalsContact O-SG 3.39Å; A121-V128 PolarHBondContact N-O 2.75Å; A121-V128 PolarHBondContact O-N 2.95Å
122C95Very high91.1Very high56 Ų5620.7 Ų20.738%0.37813%0.125SC..EExtended strand (participates in β ladder)trans-123.1136175.6-46.80000110.3V75 K126 C127V75-C122 WeakPolarHBondContact O-CB 3.44Å; V75-C122 PolarHBondContact O-SG 2.82Å; C122-K126 CarbonylContact C-O 3.56Å; C122-K126 WeakPolarHBondContact CA-O 3.42Å; C122-C127 HydrophobicContact CB-CB 3.62Å; C122-C127 WeakPolarHBondContact CB-SG 3.41Å; C122-C127 WeakPolarHBondContact SG-CB 3.31Å; C122-C127 CovalentContact SG-SG 2.05Å; C122-C127 PolarHBondContact SG-SG 3.13Å
123G91.7Very high92Very high23 Ų2318.8 Ų18.824%0.23711%0.111CC..EExtended strand (participates in β ladder)trans-130.7-172.8172.500000111.2G125 K126G123-G125 PolarHBondContact O-N 3.32Å; G123-G125 VanDerWaalsContact O-N 3.08Å; G123-K126 PolarHBondContact N-O 2.97Å; G123-K126 PolarHBondContact O-N 2.9Å; G123-K126 VanDerWaalsContact O-O 3.05Å
124P89.9Confident91.7Very high120 Ų12022.3 Ų22.378%0.77912%0.124SC*.THydrogen-bonded Turntrans-56116.4178.9-24.934.9000111.6K126P124-K126 VanDerWaalsContact C-N 3.25Å; P124-K126 PolarHBondContact O-N 3.13Å
125G92Very high91.9Very high15 Ų1521.3 Ų21.316%0.15513%0.127CC..THydrogen-bonded Turntrans72.63.8175.800000116.4T69 S70 G72 G123T69-G125 CarbonylContact C-O 3.47Å; T69-G125 WeakPolarHBondContact CA-O 3.4Å; S70-G125 PolarHBondContact N-O 3.03Å; S70-G125 WeakPolarHBondContact O-CA 3.48Å; G72-G125 VanDerWaalsContact O-CA 3.26Å; G72-G125 WeakPolarHBondContact O-CA 3.48Å; G72-G125 PolarHBondContact O-N 2.85Å; G123-G125 PolarHBondContact O-N 3.32Å; G123-G125 VanDerWaalsContact O-N 3.08Å
126K94.6Very high92Very high36 Ų3621.2 Ų21.216%0.15713%0.13CC..EExtended strand (participates in β ladder)trans-148.3133.5-178.4-174.2176.9174-170.30111.6L44 L45 E47 V67 R68 T69 C122 G123 P124 V128L44-K126 WeakPolarHBondContact O-CE 3.49Å; L44-K126 PolarHBondContact O-NZ 2.97Å; L45-K126 HydrophobicContact CD2-CB 4.31Å; L45-K126 HydrophobicContact CD2-CD 4.4Å; L45-K126 HydrophobicContact CD2-CG 4.11Å; L45-K126 WeakPolarHBondContact CD2-O 3.3Å; L45-K126 PolarHBondContact O-NZ 2.9Å; E47-K126 PolarHBondContact O-NZ 3.23Å; V67-K126 HydrophobicContact CG1-CG 4.11Å; R68-K126 CarbonylContact O-C 3.55Å; R68-K126 WeakPolarHBondContact O-CA 3.32Å; T69-K126 HydrophobicContact CG2-CB 4.44Å; T69-K126 HydrophobicContact CG2-CG 4.17Å; C122-K126 CarbonylContact C-O 3.56Å; C122-K126 WeakPolarHBondContact CA-O 3.42Å; G123-K126 PolarHBondContact N-O 2.97Å; G123-K126 PolarHBondContact O-N 2.9Å; G123-K126 VanDerWaalsContact O-O 3.05Å; P124-K126 VanDerWaalsContact C-N 3.25Å; P124-K126 PolarHBondContact O-N 3.13Å; K126-V128 HydrophobicContact CG-CG2 4.3Å
127C96.4Very high91.6Very high0 Ų021.7 Ų21.70%014%0.135CC..EExtended strand (participates in β ladder)trans-127140.4165.4-167.30000110.4V67 R68 V75 M77 A121 C122V67-C127 WeakPolarHBondContact CA-O 3.34Å; R68-C127 PolarHBondContact N-O 3.39Å; R68-C127 PolarHBondContact O-N 2.86Å; V75-C127 HydrophobicContact CB-CB 4.3Å; V75-C127 HydrophobicContact CG1-CB 3.92Å; M77-C127 VanDerWaalsContact CE-C 3.45Å; M77-C127 HydrophobicContact CE-CB 3.9Å; M77-C127 WeakPolarHBondContact CE-O 3.47Å; A121-C127 WeakPolarHBondContact O-CA 3.47Å; A121-C127 PolarHBondContact O-SG 2.96Å; A121-C127 VanDerWaalsContact O-SG 3.39Å; C122-C127 HydrophobicContact CB-CB 3.62Å; C122-C127 WeakPolarHBondContact CB-SG 3.41Å; C122-C127 WeakPolarHBondContact SG-CB 3.31Å; C122-C127 CovalentContact SG-SG 2.05Å; C122-C127 PolarHBondContact SG-SG 3.13Å
128V97.4Very high91.8Very high0 Ų023.8 Ų23.80%015%0.146CC..EExtended strand (participates in β ladder)trans-123.9134.9-178.9-177.40000108.9A41 L44 L45 I65 S66 V67 K120 A121 K126 V130A41-V128 HydrophobicContact CB-CG1 4.41Å; L44-V128 HydrophobicContact CB-CG1 3.84Å; L44-V128 HydrophobicContact CB-CG2 4.24Å; L44-V128 HydrophobicContact CD1-CG1 3.84Å; L45-V128 HydrophobicContact CD2-CG2 4.04Å; L45-V128 HydrophobicContact CG-CG2 4.37Å; I65-V128 HydrophobicContact CG2-CG1 4.35Å; S66-V128 WeakPolarHBondContact O-CA 3.37Å; V67-V128 HydrophobicContact CG1-CG2 4.33Å; V67-V128 HydrophobicContact CG2-CG1 4.21Å; V67-V128 HydrophobicContact CG2-CG2 4.07Å; K120-V128 WeakPolarHBondContact CA-O 3.39Å; A121-V128 PolarHBondContact N-O 2.75Å; A121-V128 PolarHBondContact O-N 2.95Å; K126-V128 HydrophobicContact CG-CG2 4.3Å; V128-V130 HydrophobicContact CG1-CG2 4.15Å
129V98.2Very high90.9Very high0 Ų026.6 Ų26.60%016%0.163CC..EExtended strand (participates in β ladder)trans-123.6133.9171.71690000109F7 I65 S66 M77 V82 W86 G119 K120F7-V129 HydrophobicContact CE1-CG1 4.18Å; F7-V129 HydrophobicContact CE1-CG2 4.22Å; F7-V129 HydrophobicContact CE2-CG2 4.05Å; F7-V129 HydrophobicContact CZ-CB 4.2Å; F7-V129 HydrophobicContact CZ-CG1 3.64Å; F7-V129 HydrophobicContact CZ-CG2 3.42Å; F7-V129 VanDerWaalsContact CZ-CG2 3.42Å; I65-V129 CarbonylContact C-O 3.52Å; I65-V129 WeakPolarHBondContact CA-O 3.26Å; S66-V129 PolarHBondContact N-O 2.89Å; S66-V129 PolarHBondContact O-N 3.2Å; M77-V129 HydrophobicContact CB-CG2 4.35Å; M77-V129 HydrophobicContact CE-CB 4.2Å; M77-V129 HydrophobicContact CE-CG2 3.7Å; M77-V129 HydrophobicContact SD-CG2 4.48Å; V82-V129 HydrophobicContact CG1-CB 4.38Å; V82-V129 HydrophobicContact CG1-CG1 3.9Å; V82-V129 HydrophobicContact CG2-CB 4.34Å; V82-V129 HydrophobicContact CG2-CG1 4.38Å; V82-V129 HydrophobicContact CG2-CG2 4.19Å; W86-V129 HydrophobicContact CH2-CG1 4.13Å; W86-V129 HydrophobicContact CZ2-CG1 4.38Å; G119-V129 WeakPolarHBondContact O-CA 3.16Å; K120-V129 HydrophobicContact CB-CG2 4.03Å; K120-V129 HydrophobicContact CD-CG2 3.98Å; K120-V129 HydrophobicContact CG-CG2 3.82Å
130V98.3Very high90.1Very high0 Ų034.4 Ų34.40%020%0.204CC..EExtended strand (participates in β ladder)trans-125.3135178.2-179.80000108.6A37 A41 L44 E63 S64 I65 F118 G119 V128A37-V130 HydrophobicContact CB-CB 4.25Å; A37-V130 HydrophobicContact CB-CG1 4.02Å; A41-V130 HydrophobicContact CB-CB 4.37Å; A41-V130 HydrophobicContact CB-CG2 3.84Å; L44-V130 HydrophobicContact CD1-CG2 4.02Å; E63-V130 HydrophobicContact CG-CG1 4.3Å; S64-V130 CarbonylContact O-C 3.6Å; S64-V130 WeakPolarHBondContact O-CA 3.46Å; I65-V130 HydrophobicContact CG1-CG2 4.36Å; F118-V130 CarbonylContact C-O 3.58Å; F118-V130 WeakPolarHBondContact CA-O 3.02Å; G119-V130 PolarHBondContact N-O 2.95Å; G119-V130 PolarHBondContact O-N 3.4Å; V128-V130 HydrophobicContact CG1-CG2 4.15Å
131A98.5Very high89.2Confident0 Ų036.9 Ų36.90%024%0.236CC..EExtended strand (participates in β ladder)trans-114.2130.4163.700000109.4E63 S64 W86 V116 G117 F118 Y133E63-A131 CarbonylContact C-O 3.58Å; E63-A131 VanDerWaalsContact CA-O 3.28Å; E63-A131 WeakPolarHBondContact CA-O 3.49Å; S64-A131 PolarHBondContact N-O 2.82Å; S64-A131 PolarHBondContact O-N 3.24Å; W86-A131 HydrophobicContact CH2-CB 3.51Å; W86-A131 HydrophobicContact CZ3-CB 3.55Å; V116-A131 HydrophobicContact CG2-CB 4.27Å; G117-A131 CarbonylContact O-C 3.48Å; G117-A131 VanDerWaalsContact O-CA 3.31Å; G117-A131 WeakPolarHBondContact O-CA 3.46Å; F118-A131 HydrophobicContact CD1-CB 3.65Å; F118-A131 HydrophobicContact CE1-CB 3.74Å; A131-Y133 HydrophobicContact CB-CD2 4.44Å; A131-Y133 HydrophobicContact CB-CE2 3.58Å
132H96.4Very high88.4Confident0 Ų038.1 Ų38.10%024%0.239CC..EExtended strand (participates in β ladder)trans-105.9141.6168-73.4168.5000110.3L33 T36 A37 S53 V61 G62 E63 V116 G117L33-H132 HydrophobicContact CB-CB 4.25Å; L33-H132 WeakPolarHBondContact CD1-O 3.37Å; L33-H132 HydrophobicContact CD2-CB 3.94Å; T36-H132 PolarHBondContact O-CE1 3.15Å; T36-H132 PolarHBondContact OG1-ND1 3.21Å; A37-H132 HydrophobicContact CB-CB 4.39Å; A37-H132 PolarHBondContact N-ND1 3.23Å; S53-H132 PolarHBondContact OG-NE2 3.08Å; V61-H132 HydrophobicContact CB-CB 4.32Å; V61-H132 HydrophobicContact CG2-CB 4.32Å; G62-H132 CarbonylContact O-C 3.58Å; G62-H132 VanDerWaalsContact O-CA 3.31Å; G62-H132 WeakPolarHBondContact O-CA 3.41Å; E63-H132 IonicContact OE2-CD2 2.87Å; E63-H132 IonicContact OE2-NE2 2.69Å; E63-H132 PolarHBondContact OE2-NE2 3.24Å; V116-H132 CarbonylContact C-O 3.55Å; V116-H132 VanDerWaalsContact CA-O 3.24Å; V116-H132 WeakPolarHBondContact CA-O 3.46Å; V116-H132 WeakPolarHBondContact CG2-O 3.36Å; G117-H132 PolarHBondContact N-O 3.45Å; G117-H132 PolarHBondContact O-N 3.44Å
133Y91Very high88Confident0 Ų038 Ų380%023%0.231CC..EExtended strand (participates in β ladder)trans-126.3144.4-174-58.9-94.9000111.2H15 L27 V61 G62 S64 Q107 T113 E115 V116 A131H15-Y133 AromaticContact CD2-CE1 3.95Å; H15-Y133 AromaticContact NE2-CE1 3.85Å; H15-Y133 AromaticContact NE2-CZ 3.79Å; H15-Y133 PolarHBondContact NE2-OH 2.76Å; L27-Y133 HydrophobicContact CD1-CD1 4.11Å; L27-Y133 HydrophobicContact CD1-CE1 4.23Å; V61-Y133 CarbonylContact C-O 3.55Å; V61-Y133 VanDerWaalsContact CA-O 3.32Å; V61-Y133 WeakPolarHBondContact CA-O 3.48Å; G62-Y133 PolarHBondContact N-O 3.38Å; G62-Y133 PolarHBondContact O-N 2.93Å; S64-Y133 WeakPolarHBondContact OG-CE2 3.42Å; S64-Y133 PolarHBondContact OG-OH 3.01Å; Q107-Y133 HydrophobicContact CB-CE2 4.46Å; Q107-Y133 HydrophobicContact CG-CD1 4.11Å; Q107-Y133 HydrophobicContact CG-CD2 3.24Å; Q107-Y133 HydrophobicContact CG-CE1 4.17Å; Q107-Y133 HydrophobicContact CG-CE2 3.32Å; Q107-Y133 HydrophobicContact CG-CG 3.63Å; T113-Y133 HydrophobicContact CG2-CD1 3.99Å; T113-Y133 HydrophobicContact CG2-CG 4.33Å; E115-Y133 WeakPolarHBondContact O-CA 3.36Å; V116-Y133 HydrophobicContact CB-CD1 4.01Å; V116-Y133 HydrophobicContact CB-CE1 4.27Å; V116-Y133 HydrophobicContact CG2-CD1 3.66Å; V116-Y133 HydrophobicContact CG2-CE1 3.58Å; V116-Y133 HydrophobicContact CG2-CG 4.32Å; A131-Y133 HydrophobicContact CB-CD2 4.44Å; A131-Y133 HydrophobicContact CB-CE2 3.58Å
134R71.8Confident87.7Confident76 Ų7641.7 Ų41.729%0.28724%0.244SC..EExtended strand (participates in β ladder)trans-140.6138.1173.7-169-179.3-68.4125.6-8112.3L33 R114 E115L33-R134 HydrophobicContact CD1-CB 4.05Å; R114-R134 PolarHBondContact N-O 2.8Å; E115-R134 HydrophobicContact CG-CB 3.6Å; E115-R134 WeakPolarHBondContact CG-O 3.27Å; E115-R134 PolarHBondContact N-O 3.2Å; E115-R134 PolarHBondContact O-N 3.03Å; E115-R134 WeakPolarHBondContact OE1-CB 3.42Å; E115-R134 VanDerWaalsContact OE1-CD 3.32Å; E115-R134 WeakPolarHBondContact OE1-CD 3.48Å; E115-R134 IonicContact OE1-CZ 3.95Å; E115-R134 IonicContact OE1-NE 2.73Å; E115-R134 IonicContact OE1-NH1 3.86Å; E115-R134 PolarHBondContact OE1-NH1 2.79Å
135P78.1Confident87.3Confident52 Ų5238.2 Ų38.234%0.33822%0.218SC..SBendcis-54.5157.2-19.1-2233.7000112.6T113T113-P135 PolarHBondContact OG1-O 3.09Å
136P76.5Confident86.9Confident38 Ų3837.6 Ų37.625%0.24721%0.211CC..  trans-57.2142.7175.624.8-35.7000111.8
137G82.8Confident86.7Confident9 Ų936.2 Ų36.29%0.09321%0.205CC..  trans-91.5-161.7166.500000111.6W110 V139W110-G137 VanDerWaalsContact CD2-CA 3.5Å; G137-V139 PolarHBondContact O-N 2.87Å
138N91Very high86.4Confident45 Ų4537.3 Ų37.324%0.24121%0.21CC..  trans5624.8175.9-60.6-12.1000114.7G103 T106 Q107 L140 Y143G103-N138 PolarHBondContact O-ND2 2.92Å; T106-N138 VanDerWaalsContact CB-OD1 3.27Å; T106-N138 WeakPolarHBondContact CB-OD1 3.3Å; T106-N138 PolarHBondContact OG1-OD1 3.49Å; Q107-N138 PolarHBondContact N-OD1 2.93Å; N138-L140 PolarHBondContact O-N 2.96Å; N138-Y143 PolarHBondContact O-OH 3.14Å
139V78.8Confident86.1Confident59 Ų5942.4 Ų42.436%0.35823%0.23SC..  trans-69.5123.5178.2-176.70000109.1W110 G137 G141 R142W110-V139 HydrophobicContact CH2-CB 4.48Å; W110-V139 HydrophobicContact CZ2-CB 4.07Å; W110-V139 HydrophobicContact CZ2-CG2 4.33Å; G137-V139 PolarHBondContact O-N 2.87Å; V139-G141 PolarHBondContact O-N 3.21Å; V139-R142 HydrophobicContact CB-CB 4.18Å; V139-R142 HydrophobicContact CB-CG 4.21Å; V139-R142 HydrophobicContact CG1-CG 4.01Å; V139-R142 WeakPolarHBondContact O-CB 3.12Å; V139-R142 PolarHBondContact O-N 2.69Å
140L79.4Confident85.7Confident164 Ų16445.2 Ų45.286%0.85925%0.248SC*.THydrogen-bonded Turntrans-53.5132.4179.8-173.266.2000110.7N138 R142N138-L140 PolarHBondContact O-N 2.96Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 3.27Å
141G78.5Confident84.6Confident74 Ų7450 Ų5076%0.76327%0.269SS*.THydrogen-bonded Turntrans81.5-0.8-178.200000115.6V139V139-G141 PolarHBondContact O-N 3.21Å
142R79.8Confident82.6Confident34 Ų3459.4 Ų59.413%0.12831%0.309CS..  trans-115.112.8-175.1-59.5-160.9176.4-73.8-13.4115.6W110 V139 L140 E145 N146 S306 H307W110-R142 HydrophobicContact CH2-CB 3.91Å; W110-R142 WeakPolarHBondContact CH2-O 3.14Å; W110-R142 HydrophobicContact CZ2-CB 3.72Å; V139-R142 HydrophobicContact CB-CB 4.18Å; V139-R142 HydrophobicContact CB-CG 4.21Å; V139-R142 HydrophobicContact CG1-CG 4.01Å; V139-R142 WeakPolarHBondContact O-CB 3.12Å; V139-R142 PolarHBondContact O-N 2.69Å; L140-R142 VanDerWaalsContact C-N 3.32Å; L140-R142 PolarHBondContact O-N 3.27Å; R142-E145 HydrophobicContact CB-CG 4.15Å; R142-E145 VanDerWaalsContact CB-OE1 3.28Å; R142-E145 WeakPolarHBondContact CB-OE1 3.49Å; R142-E145 WeakPolarHBondContact CD-OE1 3.43Å; R142-E145 WeakPolarHBondContact CG-OE1 3.31Å; R142-E145 IonicContact CZ-OE1 3.66Å; R142-E145 IonicContact NE-OE1 2.84Å; R142-E145 IonicContact NH1-OE1 3.55Å; R142-E145 PolarHBondContact NH1-OE1 2.96Å; R142-E145 IonicContact NH1-OE2 3.89Å; R142-E145 WeakPolarHBondContact O-CG 3.47Å; R142-N146 WeakPolarHBondContact O-CB 3.24Å; R142-N146 PolarHBondContact O-N 3.07Å; R142-N146 PolarHBondContact O-ND2 2.85Å; R142-S306 PolarHBondContact NH2-OG 3.07Å; R142-H307 VanDerWaalsContact CZ-NE2 3.25Å; R142-H307 PolarHBondContact NE-CE1 3.29Å; R142-H307 PolarHBondContact NE-NE2 3.33Å; R142-H307 PolarHBondContact NH1-CE1 3.02Å; R142-H307 PolarHBondContact NH1-ND1 3.47Å; R142-H307 PolarHBondContact NH2-CE1 2.95Å; R142-H307 VanDerWaalsContact NH2-CE1 3.27Å; R142-H307 PolarHBondContact NH2-ND1 3.03Å
143Y86.1Confident80Confident54 Ų5462.3 Ų62.321%0.21233%0.33CS..SBendtrans-67.4-50.7-174.8-78.1-89.5000112.7Y93 T106 W110 N138 E145 N146 V147Y93-Y143 AromaticContact CE2-CD1 4Å; Y93-Y143 HydrophobicContact CE2-CD1 4Å; Y93-Y143 WeakPolarHBondContact OH-CB 3.47Å; T106-Y143 HydrophobicContact CG2-CD1 4.03Å; T106-Y143 HydrophobicContact CG2-CE1 3.97Å; W110-Y143 HydrophobicContact CH2-CD1 4.47Å; W110-Y143 HydrophobicContact CH2-CG 4.4Å; W110-Y143 AromaticContact CZ3-CD1 3.86Å; W110-Y143 HydrophobicContact CZ3-CD1 3.86Å; W110-Y143 HydrophobicContact CZ3-CE1 4.07Å; W110-Y143 HydrophobicContact CZ3-CG 4.21Å; N138-Y143 PolarHBondContact O-OH 3.14Å; Y143-E145 PolarHBondContact O-N 2.75Å; Y143-N146 PolarHBondContact O-N 3.24Å; Y143-V147 PolarHBondContact O-N 2.92Å
144L86.4Confident77.2Confident99 Ų9968.3 Ų68.352%0.51837%0.366SS..THydrogen-bonded Turntrans-62.7-28.6-176.8-62.8-179000113.6Y95Y95-L144 VanDerWaalsContact O-CD2 3.26Å; Y95-L144 WeakPolarHBondContact O-CD2 3.29Å
145E82.3Confident75.5Confident48 Ų4874.1 Ų74.122%0.22439%0.393CS..THydrogen-bonded Turntrans-87.2-7.8178.660.7167.1-168.300113.9R142 Y143 F148 R228R142-E145 HydrophobicContact CB-CG 4.15Å; R142-E145 VanDerWaalsContact CB-OE1 3.28Å; R142-E145 WeakPolarHBondContact CB-OE1 3.49Å; R142-E145 WeakPolarHBondContact CD-OE1 3.43Å; R142-E145 WeakPolarHBondContact CG-OE1 3.31Å; R142-E145 IonicContact CZ-OE1 3.66Å; R142-E145 IonicContact NE-OE1 2.84Å; R142-E145 IonicContact NH1-OE1 3.55Å; R142-E145 PolarHBondContact NH1-OE1 2.96Å; R142-E145 IonicContact NH1-OE2 3.89Å; R142-E145 WeakPolarHBondContact O-CG 3.47Å; Y143-E145 PolarHBondContact O-N 2.75Å; E145-F148 WeakPolarHBondContact O-CZ 3.11Å; E145-R228 IonicContact OE1-NH1 3Å; E145-R228 IonicContact OE2-CZ 3.74Å; E145-R228 IonicContact OE2-NH1 2.74Å; E145-R228 PolarHBondContact OE2-NH1 3.37Å; E145-R228 IonicContact OE2-NH2 3.18Å
146N82Confident73.3Confident2 Ų278.3 Ų78.31%0.01141%0.413CS..THydrogen-bonded Turntrans-124.9-21.8-175.7-77.5-73.2000115.4W110 S111 S112 R142 Y143W110-N146 HydrophobicContact CD2-CB 3.47Å; W110-N146 VanDerWaalsContact CD2-CB 3.47Å; W110-N146 VanDerWaalsContact CE2-CB 3.48Å; W110-N146 HydrophobicContact CE3-CB 3.78Å; W110-N146 HydrophobicContact CG-CB 4Å; W110-N146 HydrophobicContact CH2-CB 4.09Å; W110-N146 HydrophobicContact CZ2-CB 3.81Å; W110-N146 VanDerWaalsContact CZ2-ND2 3.35Å; W110-N146 WeakPolarHBondContact CZ2-ND2 3.48Å; W110-N146 HydrophobicContact CZ3-CB 4.07Å; W110-N146 PolarHBondContact NE1-OD1 3.45Å; S111-N146 WeakPolarHBondContact CB-O 3.32Å; S111-N146 PolarHBondContact N-O 3.27Å; S111-N146 PolarHBondContact OG-OD1 2.78Å; S112-N146 VanDerWaalsContact CB-OD1 3.32Å; S112-N146 WeakPolarHBondContact CB-OD1 3.34Å; S112-N146 PolarHBondContact N-OD1 2.8Å; S112-N146 VanDerWaalsContact N-OD1 3.08Å; S112-N146 PolarHBondContact OG-OD1 2.88Å; R142-N146 WeakPolarHBondContact O-CB 3.24Å; R142-N146 PolarHBondContact O-N 3.07Å; R142-N146 PolarHBondContact O-ND2 2.85Å; Y143-N146 PolarHBondContact O-N 3.24Å
147V91.6Very high71.1Confident6 Ų680.6 Ų80.64%0.03643%0.426CS..  trans-116.496.2-174.4-178.50000109.3Y93 Y95 F105 T106 V109 W110 Y143Y93-V147 HydrophobicContact CD1-CG1 4.02Å; Y93-V147 HydrophobicContact CE1-CB 4.02Å; Y93-V147 HydrophobicContact CE1-CG1 3.4Å; Y93-V147 VanDerWaalsContact CE1-CG1 3.4Å; Y95-V147 HydrophobicContact CE1-CG1 4.15Å; F105-V147 HydrophobicContact CE1-CG1 3.57Å; F105-V147 HydrophobicContact CZ-CG1 3.91Å; T106-V147 HydrophobicContact CG2-CG1 4.3Å; T106-V147 HydrophobicContact CG2-CG2 4.01Å; V109-V147 HydrophobicContact CG2-CB 4.47Å; V109-V147 HydrophobicContact CG2-CG1 3.81Å; V109-V147 HydrophobicContact CG2-CG2 4.4Å; W110-V147 HydrophobicContact CE3-CG2 3.78Å; W110-V147 HydrophobicContact CZ3-CG2 4Å; Y143-V147 PolarHBondContact O-N 2.92Å
148F88.8Confident68.4Low24 Ų2488.2 Ų88.211%0.10546%0.457CS..PPolyproline II helixtrans-89.5149.3-176.7-55.2-59.4000111.9H22 V24 Y95 E145 R228 R229H22-F148 PolarHBondContact ND1-O 2.9Å; V24-F148 HydrophobicContact CG1-CD2 3.55Å; V24-F148 HydrophobicContact CG1-CE2 3.84Å; Y95-F148 WeakPolarHBondContact CE1-O 3.42Å; E145-F148 WeakPolarHBondContact O-CZ 3.11Å; F148-R228 HydrophobicContact CZ-CB 3.97Å; F148-R229 HydrophobicContact CD2-CG 4.02Å; F148-R229 HydrophobicContact CE2-CG 4.04Å; F148-R229 HydrophobicContact CG-CG 4.46Å; F148-R229 HydrophobicContact CZ-CG 4.5Å
149R92.3Very high65.3Low107 Ų10794 Ų9440%0.40448%0.482SS..PPolyproline II helixtrans-58.1145.1168.3-68.2176.8176.2-78.67.3110.4Y95 E96Y95-R149 VanDerWaalsContact CB-CZ 3.47Å; Y95-R149 HydrophobicContact CD1-CB 4.24Å; Y95-R149 HydrophobicContact CD1-CG 3.46Å; Y95-R149 VanDerWaalsContact CD1-CG 3.46Å; Y95-R149 HydrophobicContact CD2-CG 3.98Å; Y95-R149 HydrophobicContact CE1-CB 4.35Å; Y95-R149 HydrophobicContact CE1-CG 4Å; Y95-R149 HydrophobicContact CE2-CG 4.47Å; Y95-R149 HydrophobicContact CG-CG 3.45Å; Y95-R149 VanDerWaalsContact CG-CG 3.45Å; E96-R149 IonicContact OE1-CZ 2.69Å; E96-R149 IonicContact OE1-NE 3.6Å; E96-R149 IonicContact OE1-NH2 3.52Å; E96-R149 PolarHBondContact OE1-NH2 3.22Å
150P88.5Confident62.8Low59 Ų5996.8 Ų96.838%0.38350%0.502SS..PPolyproline II helixtrans-59.5147.8171.126.7-33.6000110.1L21 K152L21-P150 WeakPolarHBondContact O-CA 3.48Å; P150-K152 PolarHBondContact O-N 2.89Å
151K75.4Confident60.2Low100 Ų10093.2 Ų93.244%0.43548%0.483SS..PPolyproline II helixtrans-62.9121.2179.4-66.2-177.8-179.9-177.60110.2L21 S153L21-K151 PolarHBondContact O-N 3.33Å; K151-S153 VanDerWaalsContact C-N 3.33Å; K151-S153 PolarHBondContact O-N 2.83Å
152K56.8Low57.6Low197 Ų197101.2 Ų101.286%0.85749%0.49SS*.SBendtrans-75.174.9178.1-69.7-176.1177.9-178.90111.4P150P150-K152 PolarHBondContact O-N 2.89Å
153S41.4Very low55.1Low61 Ų61103.4 Ų103.443%0.42750%0.504SS..  trans158.6125.1143.770.70000110.6K151 K155K151-S153 VanDerWaalsContact C-N 3.33Å; K151-S153 PolarHBondContact O-N 2.83Å; S153-K155 PolarHBondContact O-N 2.9Å
154V33.9Very low52.1Low127 Ų127106.8 Ų106.877%0.7753%0.531SS*.THydrogen-bonded Turntrans-75.44175178.80000111.4
155K34.5Very low49.4Very low197 Ų197107.9 Ų107.986%0.85753%0.531SS*.THydrogen-bonded Turntrans-80.3-17.7176.4-70.1-170.3176.5-176.30113.7S153S153-K155 PolarHBondContact O-N 2.9Å
156D31.9Very low46.8Very low141 Ų141109.5 Ų109.575%0.75455%0.553SS**SBendtrans-107.10.6174.9-68.1-40000113.9K158D156-K158 PolarHBondContact O-N 2.91Å; D156-K158 VanDerWaalsContact O-N 3.09Å
157V31.2Very low44.6Very low86 Ų86111.6 Ų111.652%0.52156%0.564SS.*  trans-82.880.3162.4-172.10000106.4Q159V157-Q159 PolarHBondContact O-N 3.33Å; V157-Q159 VanDerWaalsContact O-N 3.09Å
158K26.2Very low42Very low168 Ų168116.7 Ų116.773%0.7359%0.591SS**  trans-50.7124.5157.3-75.1-175.4178.8178.70105.1D156D156-K158 PolarHBondContact O-N 2.91Å; D156-K158 VanDerWaalsContact O-N 3.09Å
159Q24.9Very low40Very low166 Ų166122.8 Ų122.878%0.77663%0.625SS**  trans-36.8142.5169-75.9-164.3-6.800108.1V157 I161V157-Q159 PolarHBondContact O-N 3.33Å; V157-Q159 VanDerWaalsContact O-N 3.09Å; Q159-I161 VanDerWaalsContact C-N 3.33Å; Q159-I161 WeakPolarHBondContact O-CA 3.4Å; Q159-I161 PolarHBondContact O-N 2.63Å
160P26.7Very low38.2Very low118 Ų118124.8 Ų124.877%0.76664%0.643SS**  trans-46.1111.4175.421.4-31.1000105R162P160-R162 PolarHBondContact O-N 3.47Å
161I25.3Very low36.6Very low89 Ų89123.4 Ų123.446%0.45663%0.634SS.*  trans-59.7122.2-170.5-49.8177.7000101.7Q159 N163Q159-I161 VanDerWaalsContact C-N 3.33Å; Q159-I161 WeakPolarHBondContact O-CA 3.4Å; Q159-I161 PolarHBondContact O-N 2.63Å; I161-N163 HydrophobicContact CB-CB 4.12Å; I161-N163 HydrophobicContact CG2-CB 3.89Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.3Å; I161-N163 PolarHBondContact O-N 3.27Å
162R23.9Very low35.6Very low242 Ų242123 Ų12391%0.91364%0.642SS**  trans-64.154.6157.2-104.9-174.6179.8-172.62.1106.9P160 T164P160-R162 PolarHBondContact O-N 3.47Å; R162-T164 PolarHBondContact O-N 3.21Å
163N26.2Very low35.5Very low80 Ų80117.2 Ų117.243%0.42862%0.616SS.*  trans-81.694157.8-81.4-5.5000101.6I161 F165I161-N163 HydrophobicContact CB-CB 4.12Å; I161-N163 HydrophobicContact CG2-CB 3.89Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.3Å; I161-N163 PolarHBondContact O-N 3.27Å; N163-F165 HydrophobicContact CB-CD2 4.47Å; N163-F165 PolarHBondContact O-N 3.18Å
164T23.9Very low36Very low126 Ų126117.6 Ų117.677%0.77362%0.616SS**  -33.691.5118.425.50000107.1R162 A166R162-T164 PolarHBondContact O-N 3.21Å; T164-A166 PolarHBondContact O-N 2.56Å
165F30Very low36.9Very low121 Ų121114.6 Ų114.653%0.53160%0.598SS.*  trans-57.7102.3148.9-75.2-86.2000101.9N163 L167N163-F165 HydrophobicContact CB-CD2 4.47Å; N163-F165 PolarHBondContact O-N 3.18Å; F165-L167 HydrophobicContact CB-CG 4.36Å; F165-L167 PolarHBondContact O-N 3.2Å
166A27Very low37.4Very low83 Ų83107.8 Ų107.869%0.68657%0.57SS**  trans-57.584.614600000103.5T164 N168T164-A166 PolarHBondContact O-N 2.56Å; A166-N168 PolarHBondContact O-N 3.05Å
167L36.9Very low38.1Very low45 Ų45105.1 Ų105.124%0.23656%0.559CS.*  trans-55.3100.8158-83.5155.2000101.8F165 N169F165-L167 HydrophobicContact CB-CG 4.36Å; F165-L167 PolarHBondContact O-N 3.2Å; L167-N169 PolarHBondContact O-N 3.34Å; L167-N169 VanDerWaalsContact O-N 3.13Å
168N35.9Very low38.7Very low113 Ų113102.4 Ų102.460%0.60454%0.541SS*.  trans-49.5128.4163-84-7.9000104.8A166 D170 T171A166-N168 PolarHBondContact O-N 3.05Å; N168-D170 PolarHBondContact O-N 2.95Å; N168-T171 PolarHBondContact O-N 3.04Å; N168-T171 PolarHBondContact O-OG1 3.39Å
169N47.6Very low39.5Very low152 Ų15298.2 Ų98.281%0.81353%0.53SS*.THydrogen-bonded Turntrans-55.7-13.5-177-81-23.8000112.4L167L167-N169 PolarHBondContact O-N 3.34Å; L167-N169 VanDerWaalsContact O-N 3.13Å
170D55.3Low40.2Very low149 Ų14993.9 Ų93.980%0.79751%0.511SS*.THydrogen-bonded Turntrans-86.8-6.4179.3-56.9-35.6000115.3N168 P172N168-D170 PolarHBondContact O-N 2.95Å; D170-P172 WeakPolarHBondContact O-CD 3.34Å
171T54.5Low40.9Very low31 Ų3192.5 Ų92.519%0.1950%0.501CS..SBendtrans-68.8126.5175.6-53.70000110N168 K173 D196 L197N168-T171 PolarHBondContact O-N 3.04Å; N168-T171 PolarHBondContact O-OG1 3.39Å; T171-K173 WeakPolarHBondContact O-CG 3.38Å; T171-K173 PolarHBondContact O-N 2.71Å; T171-K173 VanDerWaalsContact O-N 3.09Å; T171-D196 VanDerWaalsContact CG2-O 3.3Å; T171-D196 WeakPolarHBondContact CG2-O 3.36Å; T171-L197 HydrophobicContact CG2-CD2 3.84Å
172P53.1Low41.4Very low91 Ų9190.9 Ų90.959%0.59149%0.491SS*.  trans-56.6119.2177.2-23.833.6000110.9D170 D196D170-P172 WeakPolarHBondContact O-CD 3.34Å; P172-D196 PolarHBondContact O-N 3.5Å; P172-D196 VanDerWaalsContact O-N 3.12Å
173K55.4Low41.8Very low75 Ų7584.8 Ų84.833%0.32649%0.486SS..EExtended strand (participates in β ladder)trans-114.8122.7179.1-73.7158.3172.8-147.50108.9T171 E193 I194T171-K173 WeakPolarHBondContact O-CG 3.38Å; T171-K173 PolarHBondContact O-N 2.71Å; T171-K173 VanDerWaalsContact O-N 3.09Å; K173-E193 HydrophobicContact CB-CG 4.44Å; K173-E193 WeakPolarHBondContact CD-OE1 3.43Å; K173-E193 WeakPolarHBondContact CE-OE1 3.38Å; K173-E193 HydrophobicContact CG-CG 4.34Å; K173-E193 IonicContact NZ-OE1 3.92Å; K173-E193 PolarHBondContact NZ-OE1 3.26Å; K173-I194 CarbonylContact C-O 3.43Å; K173-I194 WeakPolarHBondContact CA-O 3.21Å
174T52.6Low42.6Very low69 Ų6986.3 Ų86.342%0.42349%0.494SS..EExtended strand (participates in β ladder)trans-92.6107.4162.8-54.50000107.6I176 I194T174-I176 HydrophobicContact CG2-CD1 4.36Å; T174-I176 HydrophobicContact CG2-CG1 3.86Å; T174-I194 PolarHBondContact N-O 3.27Å; T174-I194 PolarHBondContact O-N 2.8Å
175V51.7Low43.4Very low65 Ų6582.5 Ų82.539%0.39448%0.48SS..EExtended strand (participates in β ladder)trans-88.5118.4169.9-177.80000107.9R191 R192 E193V175-R191 HydrophobicContact CG1-CG 3.84Å; V175-R192 CarbonylContact C-O 3.58Å; V175-R192 WeakPolarHBondContact CA-O 3.07Å; V175-E193 HydrophobicContact CG2-CG 4.11Å
176I46.5Very low43.8Very low53 Ų5382.2 Ų82.227%0.27248%0.479SS..EExtended strand (participates in β ladder)trans-109.2114.6173.5-49.4-177.6000107.2T174 E178 R192 I194T174-I176 HydrophobicContact CG2-CD1 4.36Å; T174-I176 HydrophobicContact CG2-CG1 3.86Å; I176-E178 HydrophobicContact CG2-CG 3.77Å; I176-R192 HydrophobicContact CB-CB 4.36Å; I176-R192 PolarHBondContact N-O 3.34Å; I176-R192 PolarHBondContact O-N 2.85Å; I176-I194 HydrophobicContact CD1-CD1 3.52Å; I176-I194 HydrophobicContact CG1-CD1 4.18Å
177T46.4Very low44.5Very low85 Ų8584.7 Ų84.752%0.52148%0.476SS..EExtended strand (participates in β ladder)trans-98.1118.6167.1-56.30000107.5V190T177-V190 WeakPolarHBondContact CA-O 2.93Å
178E42.4Very low44.7Very low29 Ų2986.2 Ų86.214%0.13648%0.479CS..EExtended strand (participates in β ladder)trans-110135.1176.7-65.1172-15600109.3I176 S189 V190 R192 G317I176-E178 HydrophobicContact CG2-CG 3.77Å; E178-S189 CarbonylContact O-C 3.51Å; E178-S189 WeakPolarHBondContact O-CA 3.16Å; E178-V190 PolarHBondContact N-O 3.13Å; E178-V190 PolarHBondContact O-N 2.94Å; E178-R192 VanDerWaalsContact CD-CZ 3.41Å; E178-R192 IonicContact OE1-CZ 3.81Å; E178-R192 IonicContact OE1-NE 2.79Å; E178-R192 IonicContact OE1-NH1 3.34Å; E178-R192 PolarHBondContact OE1-NH1 3.31Å; E178-R192 IonicContact OE1-NH2 3.83Å; E178-R192 IonicContact OE2-CZ 3.38Å; E178-R192 IonicContact OE2-NH1 2.84Å; E178-R192 PolarHBondContact OE2-NH1 3.14Å; E178-R192 IonicContact OE2-NH2 3.06Å; E178-R192 PolarHBondContact OE2-NH2 3.5Å; E178-G317 WeakPolarHBondContact OE1-CA 3.14Å
179T44.4Very low45Very low80 Ų8085.1 Ų85.149%0.49148%0.48SS..EExtended strand (participates in β ladder)trans-87.4113.2167.1-55.60000108.3Q187 Y188T179-Q187 HydrophobicContact CG2-CB 3.73Å; T179-Q187 HydrophobicContact CG2-CG 3.96Å; T179-Y188 CarbonylContact C-O 3.53Å; T179-Y188 WeakPolarHBondContact CA-O 3.18Å
180L38.8Very low44.9Very low75 Ų7578.3 Ų78.339%0.39344%0.444SS..EExtended strand (participates in β ladder)trans-92.9126.8170.7-61.5179.8000108.4Q187 Y188 V190L180-Q187 CarbonylContact O-C 3.55Å; L180-Q187 VanDerWaalsContact O-CA 3.27Å; L180-Q187 WeakPolarHBondContact O-CA 3.45Å; L180-Y188 PolarHBondContact N-O 3.39Å; L180-Y188 PolarHBondContact O-N 3.5Å; L180-V190 HydrophobicContact CD1-CB 4.37Å; L180-V190 HydrophobicContact CD1-CG2 3.46Å; L180-V190 VanDerWaalsContact CD1-CG2 3.46Å; L180-V190 HydrophobicContact CG-CG2 4.02Å
181T40.5Very low44.6Very low89 Ų8977.3 Ų77.355%0.54643%0.429SS..EExtended strand (participates in β ladder)trans-97.5119.1170.2-51.80000108.2K186 Q187T181-K186 CarbonylContact C-O 3.57Å; T181-K186 WeakPolarHBondContact CA-O 3.31Å; T181-Q187 HydrophobicContact CG2-CG 4.34Å
182E37.5Very low44.2Very low55 Ų5578.3 Ų78.326%0.25743%0.43SS..PPolyproline II helixtrans-68.1166.9174.6-79.9-178.3174.500111.5L31 D184 G185 K186 Y188L31-E182 HydrophobicContact CD1-CG 4.39Å; L31-E182 WeakPolarHBondContact CD1-OE1 3.26Å; E182-D184 WeakPolarHBondContact CB-OD1 3.05Å; E182-D184 PolarHBondContact O-N 2.89Å; E182-D184 VanDerWaalsContact O-N 3.13Å; E182-G185 PolarHBondContact O-N 3.23Å; E182-K186 PolarHBondContact N-O 2.78Å; E182-Y188 HydrophobicContact CB-CE2 4.21Å; E182-Y188 VanDerWaalsContact CD-OH 3.27Å; E182-Y188 HydrophobicContact CG-CD2 3.87Å; E182-Y188 HydrophobicContact CG-CE2 3.45Å; E182-Y188 VanDerWaalsContact CG-CE2 3.45Å; E182-Y188 WeakPolarHBondContact OE1-CE2 3.43Å; E182-Y188 VanDerWaalsContact OE1-CZ 3.23Å; E182-Y188 PolarHBondContact OE1-OH 3.46Å; E182-Y188 WeakPolarHBondContact OE2-CE2 3.35Å; E182-Y188 VanDerWaalsContact OE2-CZ 3.24Å; E182-Y188 PolarHBondContact OE2-OH 2.81Å
183S32.3Very low44.1Very low115 Ų11575 Ų7580%0.80441%0.406SS*.THydrogen-bonded Turntrans-61.8-16.1177.249.40000114.1
184D43.1Very low44Very low111 Ų11172.5 Ų72.559%0.59440%0.396SS*.THydrogen-bonded Turntrans-93.41.2174.168.5-6.6000113.2E182 K186E182-D184 WeakPolarHBondContact CB-OD1 3.05Å; E182-D184 PolarHBondContact O-N 2.89Å; E182-D184 VanDerWaalsContact O-N 3.13Å; D184-K186 WeakPolarHBondContact OD1-CB 3.1Å; D184-K186 PolarHBondContact OD1-N 3.18Å
185G39.4Very low44Very low46 Ų4669.2 Ų69.247%0.47438%0.376SS..SBendtrans88.2-2.2-177.700000114.9E182E182-G185 PolarHBondContact O-N 3.23Å
186K39.1Very low43.9Very low116 Ų11668.7 Ų68.750%0.50437%0.371SS..  trans-76.9134.7-177.9-165.7168.9166.7-151.90111.4T181 E182 D184 Y188T181-K186 CarbonylContact C-O 3.57Å; T181-K186 WeakPolarHBondContact CA-O 3.31Å; E182-K186 PolarHBondContact N-O 2.78Å; D184-K186 WeakPolarHBondContact OD1-CB 3.1Å; D184-K186 PolarHBondContact OD1-N 3.18Å; K186-Y188 HydrophobicContact CB-CE2 3.88Å; K186-Y188 HydrophobicContact CD-CE2 4.19Å; K186-Y188 VanDerWaalsContact CD-OH 3.26Å; K186-Y188 WeakPolarHBondContact CD-OH 3.34Å; K186-Y188 VanDerWaalsContact CE-OH 3.31Å; K186-Y188 WeakPolarHBondContact CE-OH 3.18Å; K186-Y188 HydrophobicContact CG-CE2 3.75Å; K186-Y188 PolarHBondContact NZ-OH 2.9Å
187Q41.9Very low44.2Very low134 Ų13468.2 Ų68.263%0.62637%0.369SS*.EExtended strand (participates in β ladder)trans-100.5137.5-174.6-68.1-176.72600111.9T179 L180 T181T179-Q187 HydrophobicContact CG2-CB 3.73Å; T179-Q187 HydrophobicContact CG2-CG 3.96Å; L180-Q187 CarbonylContact O-C 3.55Å; L180-Q187 VanDerWaalsContact O-CA 3.27Å; L180-Q187 WeakPolarHBondContact O-CA 3.45Å; T181-Q187 HydrophobicContact CG2-CG 4.34Å
188Y40.4Very low44.3Very low77 Ų7768.5 Ų68.530%0.30237%0.37SS..EExtended strand (participates in β ladder)trans-130.2132177.9-59.7-98.9000109.9T179 L180 E182 K186T179-Y188 CarbonylContact C-O 3.53Å; T179-Y188 WeakPolarHBondContact CA-O 3.18Å; L180-Y188 PolarHBondContact N-O 3.39Å; L180-Y188 PolarHBondContact O-N 3.5Å; E182-Y188 HydrophobicContact CB-CE2 4.21Å; E182-Y188 VanDerWaalsContact CD-OH 3.27Å; E182-Y188 HydrophobicContact CG-CD2 3.87Å; E182-Y188 HydrophobicContact CG-CE2 3.45Å; E182-Y188 VanDerWaalsContact CG-CE2 3.45Å; E182-Y188 WeakPolarHBondContact OE1-CE2 3.43Å; E182-Y188 VanDerWaalsContact OE1-CZ 3.23Å; E182-Y188 PolarHBondContact OE1-OH 3.46Å; E182-Y188 WeakPolarHBondContact OE2-CE2 3.35Å; E182-Y188 VanDerWaalsContact OE2-CZ 3.24Å; E182-Y188 PolarHBondContact OE2-OH 2.81Å; K186-Y188 HydrophobicContact CB-CE2 3.88Å; K186-Y188 HydrophobicContact CD-CE2 4.19Å; K186-Y188 VanDerWaalsContact CD-OH 3.26Å; K186-Y188 WeakPolarHBondContact CD-OH 3.34Å; K186-Y188 VanDerWaalsContact CE-OH 3.31Å; K186-Y188 WeakPolarHBondContact CE-OH 3.18Å; K186-Y188 HydrophobicContact CG-CE2 3.75Å; K186-Y188 PolarHBondContact NZ-OH 2.9Å
189S42Very low44.8Very low91 Ų9168 Ų6864%0.63637%0.369SS*.EExtended strand (participates in β ladder)trans-85.8113171.1-63.10000110E178E178-S189 CarbonylContact O-C 3.51Å; E178-S189 WeakPolarHBondContact O-CA 3.16Å
190V45.1Very low45.3Very low9 Ų970.5 Ų70.56%0.05538%0.379CS..EExtended strand (participates in β ladder)trans-99.2114171.7-179.50000108.7T177 E178 L180 R192 V210T177-V190 WeakPolarHBondContact CA-O 2.93Å; E178-V190 PolarHBondContact N-O 3.13Å; E178-V190 PolarHBondContact O-N 2.94Å; L180-V190 HydrophobicContact CD1-CB 4.37Å; L180-V190 HydrophobicContact CD1-CG2 3.46Å; L180-V190 VanDerWaalsContact CD1-CG2 3.46Å; L180-V190 HydrophobicContact CG-CG2 4.02Å; V190-R192 HydrophobicContact CG1-CG 4.28Å; V190-V210 HydrophobicContact CG1-CG1 4.07Å
191R48.7Very low45.7Very low127 Ų12773 Ų7348%0.47939%0.387SS..EExtended strand (participates in β ladder)trans-88.2118.1175.1-172.4178.1177.4-89.9-3109.2V175 E193 G211V175-R191 HydrophobicContact CG1-CG 3.84Å; R191-E193 IonicContact CZ-OE2 3.92Å; R191-E193 IonicContact NH1-OE2 2.84Å; R191-E193 PolarHBondContact NH1-OE2 3.11Å; R191-E193 IonicContact NH2-OE2 3.78Å; R191-E193 PolarHBondContact NH2-OE2 3.36Å; R191-G211 PolarHBondContact O-N 2.85Å
192R47.5Very low45.9Very low53 Ų5371.4 Ų71.420%0.239%0.389CS..EExtended strand (participates in β ladder)trans-108.6129172.1-62.4178.9178.183.6-21.5108.7V175 I176 E178 V190 L209 V210V175-R192 CarbonylContact C-O 3.58Å; V175-R192 WeakPolarHBondContact CA-O 3.07Å; I176-R192 HydrophobicContact CB-CB 4.36Å; I176-R192 PolarHBondContact N-O 3.34Å; I176-R192 PolarHBondContact O-N 2.85Å; E178-R192 VanDerWaalsContact CD-CZ 3.41Å; E178-R192 IonicContact OE1-CZ 3.81Å; E178-R192 IonicContact OE1-NE 2.79Å; E178-R192 IonicContact OE1-NH1 3.34Å; E178-R192 PolarHBondContact OE1-NH1 3.31Å; E178-R192 IonicContact OE1-NH2 3.83Å; E178-R192 IonicContact OE2-CZ 3.38Å; E178-R192 IonicContact OE2-NH1 2.84Å; E178-R192 PolarHBondContact OE2-NH1 3.14Å; E178-R192 IonicContact OE2-NH2 3.06Å; E178-R192 PolarHBondContact OE2-NH2 3.5Å; V190-R192 HydrophobicContact CG1-CG 4.28Å; R192-L209 CarbonylContact C-O 3.51Å; R192-L209 VanDerWaalsContact CA-O 3.24Å; R192-L209 WeakPolarHBondContact CA-O 3.05Å; R192-V210 HydrophobicContact CG-CG2 4.42Å
193E50.3Low46Very low22 Ų2275.2 Ų75.210%0.10340%0.404CS..EExtended strand (participates in β ladder)trans-113.6115.3174.5-174.7171.5167.300107.9K173 V175 R191 L209K173-E193 HydrophobicContact CB-CG 4.44Å; K173-E193 WeakPolarHBondContact CD-OE1 3.43Å; K173-E193 WeakPolarHBondContact CE-OE1 3.38Å; K173-E193 HydrophobicContact CG-CG 4.34Å; K173-E193 IonicContact NZ-OE1 3.92Å; K173-E193 PolarHBondContact NZ-OE1 3.26Å; V175-E193 HydrophobicContact CG2-CG 4.11Å; R191-E193 IonicContact CZ-OE2 3.92Å; R191-E193 IonicContact NH1-OE2 2.84Å; R191-E193 PolarHBondContact NH1-OE2 3.11Å; R191-E193 IonicContact NH2-OE2 3.78Å; R191-E193 PolarHBondContact NH2-OE2 3.36Å; E193-L209 HydrophobicContact CB-CB 4.06Å; E193-L209 HydrophobicContact CB-CD1 4.06Å; E193-L209 HydrophobicContact CG-CD1 4.16Å; E193-L209 PolarHBondContact N-O 2.6Å; E193-L209 PolarHBondContact O-N 3.14Å
194I53.6Low46.5Very low22 Ų2275.9 Ų75.911%0.11340%0.399CS..EExtended strand (participates in β ladder)trans-103.6110.4-179.8-53.5175.1000106.7K173 T174 I176 K206 L207 Y208K173-I194 CarbonylContact C-O 3.43Å; K173-I194 WeakPolarHBondContact CA-O 3.21Å; T174-I194 PolarHBondContact N-O 3.27Å; T174-I194 PolarHBondContact O-N 2.8Å; I176-I194 HydrophobicContact CD1-CD1 3.52Å; I176-I194 HydrophobicContact CG1-CD1 4.18Å; I194-K206 HydrophobicContact CG2-CB 4.24Å; I194-K206 HydrophobicContact CG2-CD 4.15Å; I194-K206 HydrophobicContact CG2-CG 4.23Å; I194-L207 VanDerWaalsContact CA-O 3.25Å; I194-L207 WeakPolarHBondContact CA-O 3.47Å; I194-Y208 HydrophobicContact CD1-CD1 4.4Å; I194-Y208 HydrophobicContact CD1-CE1 4.17Å; I194-Y208 HydrophobicContact CG1-CD1 4.06Å; I194-Y208 HydrophobicContact CG1-CE1 4.25Å; I194-Y208 HydrophobicContact CG2-CE1 4.45Å
195S51.6Low46.5Very low0 Ų073.9 Ų73.90%039%0.385CS..EExtended strand (participates in β ladder)trans-97123.1172.7-53.80000109.1L197 K206 L207S195-L197 PolarHBondContact O-N 3.11Å; S195-K206 WeakPolarHBondContact O-CA 3.24Å; S195-L207 PolarHBondContact N-O 3.34Å; S195-L207 PolarHBondContact O-N 3.39Å
196D50.8Low46.8Very low53 Ų5377.6 Ų77.628%0.28339%0.388SS..EExtended strand (participates in β ladder)trans-81.1106.4169.2-72.8-52.2000107.7T171 P172 K206T171-D196 VanDerWaalsContact CG2-O 3.3Å; T171-D196 WeakPolarHBondContact CG2-O 3.36Å; P172-D196 PolarHBondContact O-N 3.5Å; P172-D196 VanDerWaalsContact O-N 3.12Å; D196-K206 WeakPolarHBondContact OD1-CE 3.34Å; D196-K206 VanDerWaalsContact OD1-CG 3.31Å; D196-K206 WeakPolarHBondContact OD1-CG 3.29Å
197L52.2Low47.1Very low44 Ų4473.3 Ų73.323%0.2337%0.37CS..EExtended strand (participates in β ladder)trans-102.7131.2179.1-63.4165.4000108.2T171 S195 N204 K205 L207T171-L197 HydrophobicContact CG2-CD2 3.84Å; S195-L197 PolarHBondContact O-N 3.11Å; L197-N204 CarbonylContact O-C 3.55Å; L197-K205 HydrophobicContact CB-CB 4.17Å; L197-K205 PolarHBondContact N-O 3.34Å; L197-K205 WeakPolarHBondContact O-CA 3.45Å; L197-K205 WeakPolarHBondContact O-CB 3.29Å; L197-K205 PolarHBondContact O-N 3.43Å; L197-L207 HydrophobicContact CD1-CB 3.85Å; L197-L207 HydrophobicContact CD1-CD2 4.42Å
198T48.5Very low47Very low90 Ų9072.9 Ų72.955%0.55236%0.364SS*.EExtended strand (participates in β ladder)trans-96.1126.6166.1-45.40000107.4G202 K203T198-G202 VanDerWaalsContact CG2-C 3.42Å; T198-K203 WeakPolarHBondContact CA-O 3.36Å
199D52.8Low47.1Very low19 Ų1970 Ų7010%0.10235%0.354CS..PPolyproline II helixtrans-69164.1169.561.728.8000112.1K201 G202 K203 K205 Y235D199-K201 PolarHBondContact O-N 3.49Å; D199-K201 VanDerWaalsContact OD1-C 3.23Å; D199-K201 VanDerWaalsContact OD1-CA 3.29Å; D199-K201 WeakPolarHBondContact OD1-CA 3.36Å; D199-K201 WeakPolarHBondContact OD1-CB 3.39Å; D199-K201 PolarHBondContact OD1-N 3.12Å; D199-G202 PolarHBondContact O-N 3.39Å; D199-G202 PolarHBondContact OD1-N 3.49Å; D199-G202 VanDerWaalsContact OD1-N 3.15Å; D199-K203 PolarHBondContact N-O 3.08Å; D199-K203 WeakPolarHBondContact OD1-CA 3.31Å; D199-K203 VanDerWaalsContact OD1-CB 3.24Å; D199-K203 WeakPolarHBondContact OD1-CB 3.32Å; D199-K203 PolarHBondContact OD1-N 3.18Å; D199-K203 WeakPolarHBondContact OD2-CB 3.16Å; D199-K205 HydrophobicContact CB-CD 4.3Å; D199-K205 WeakPolarHBondContact OD2-CE 3.44Å; D199-K205 IonicContact OD2-NZ 3.93Å; D199-K205 PolarHBondContact OD2-NZ 2.92Å; D199-Y235 WeakPolarHBondContact CA-OH 3.34Å; D199-Y235 HydrophobicContact CB-CE1 3.74Å; D199-Y235 WeakPolarHBondContact CB-OH 3.3Å
200D55.6Low47Very low133 Ų13369.2 Ų69.271%0.71135%0.345SS*.THydrogen-bonded Turntrans-52.5-916933.9-55.8000114Y235D200-Y235 WeakPolarHBondContact OD1-CE1 3.48Å; D200-Y235 PolarHBondContact OD1-OH 3.14Å
201K47.1Very low46.6Very low126 Ų12669.5 Ų69.555%0.54835%0.35SS..THydrogen-bonded Turntrans-106.710.7172.7-60.5-176.4177.9178.10113.3D199 K203 D237D199-K201 PolarHBondContact O-N 3.49Å; D199-K201 VanDerWaalsContact OD1-C 3.23Å; D199-K201 VanDerWaalsContact OD1-CA 3.29Å; D199-K201 WeakPolarHBondContact OD1-CA 3.36Å; D199-K201 WeakPolarHBondContact OD1-CB 3.39Å; D199-K201 PolarHBondContact OD1-N 3.12Å; K201-K203 VanDerWaalsContact C-N 3.34Å; K201-D237 VanDerWaalsContact NZ-CG 3.35Å; K201-D237 IonicContact NZ-OD1 2.79Å; K201-D237 PolarHBondContact NZ-OD1 3.11Å; K201-D237 IonicContact NZ-OD2 3.44Å; K201-D237 PolarHBondContact NZ-OD2 2.68Å
202G44.2Very low46Very low57 Ų5769.5 Ų69.559%0.58836%0.355SS*.SBendtrans78.611.3177.900000114.9T198 D199T198-G202 VanDerWaalsContact CG2-C 3.42Å; D199-G202 PolarHBondContact O-N 3.39Å; D199-G202 PolarHBondContact OD1-N 3.49Å; D199-G202 VanDerWaalsContact OD1-N 3.15Å
203K39.9Very low45.6Very low135 Ų13570.4 Ų70.459%0.58738%0.381SS*.  trans-95130.2-176.8-162.6-177.9-179.4-179.60111T198 D199 K201T198-K203 WeakPolarHBondContact CA-O 3.36Å; D199-K203 PolarHBondContact N-O 3.08Å; D199-K203 WeakPolarHBondContact OD1-CA 3.31Å; D199-K203 VanDerWaalsContact OD1-CB 3.24Å; D199-K203 WeakPolarHBondContact OD1-CB 3.32Å; D199-K203 PolarHBondContact OD1-N 3.18Å; D199-K203 WeakPolarHBondContact OD2-CB 3.16Å; K201-K203 VanDerWaalsContact C-N 3.34Å
204N43.4Very low44.5Very low128 Ų12880 Ų8068%0.68442%0.422SS*.EExtended strand (participates in β ladder)trans-70.4132.3176.2-65.5-30000111.3L197L197-N204 CarbonylContact O-C 3.55Å
205K43.6Very low43.4Very low70 Ų7087 Ų8730%0.30445%0.452SS..EExtended strand (participates in β ladder)trans-126143.7175.3-67.7177.9179171.80107.8L197 D199 Y235L197-K205 HydrophobicContact CB-CB 4.17Å; L197-K205 PolarHBondContact N-O 3.34Å; L197-K205 WeakPolarHBondContact O-CA 3.45Å; L197-K205 WeakPolarHBondContact O-CB 3.29Å; L197-K205 PolarHBondContact O-N 3.43Å; D199-K205 HydrophobicContact CB-CD 4.3Å; D199-K205 WeakPolarHBondContact OD2-CE 3.44Å; D199-K205 IonicContact OD2-NZ 3.93Å; D199-K205 PolarHBondContact OD2-NZ 2.92Å; K205-Y235 PolarHBondContact NZ-OH 2.91Å; K205-Y235 VanDerWaalsContact NZ-OH 3.16Å
206K45.3Very low42.3Very low123 Ų12390.5 Ų90.554%0.53547%0.473SS..EExtended strand (participates in β ladder)trans-111.8119172.9-73.4-172.9175-171.40109.4I194 S195 D196 Y208I194-K206 HydrophobicContact CG2-CB 4.24Å; I194-K206 HydrophobicContact CG2-CD 4.15Å; I194-K206 HydrophobicContact CG2-CG 4.23Å; S195-K206 WeakPolarHBondContact O-CA 3.24Å; D196-K206 WeakPolarHBondContact OD1-CE 3.34Å; D196-K206 VanDerWaalsContact OD1-CG 3.31Å; D196-K206 WeakPolarHBondContact OD1-CG 3.29Å; K206-Y208 HydrophobicContact CB-CE2 3.77Å
207L43.9Very low41.4Very low26 Ų2691.5 Ų91.514%0.13648%0.476CS..EExtended strand (participates in β ladder)trans-91.3125.2169.9-176.170.7000108.4I194 S195 L197 L209I194-L207 VanDerWaalsContact CA-O 3.25Å; I194-L207 WeakPolarHBondContact CA-O 3.47Å; S195-L207 PolarHBondContact N-O 3.34Å; S195-L207 PolarHBondContact O-N 3.39Å; L197-L207 HydrophobicContact CD1-CB 3.85Å; L197-L207 HydrophobicContact CD1-CD2 4.42Å; L207-L209 HydrophobicContact CD2-CD2 4.34Å; L207-L209 HydrophobicContact CD2-CG 4.39Å; L207-L209 HydrophobicContact CG-CG 4.49Å
208Y41.7Very low40.4Very low125 Ų12596.8 Ų96.849%0.4949%0.494SS..EExtended strand (participates in β ladder)trans-104.9115.1177.1-60.9-91.5000109.4I194 K206I194-Y208 HydrophobicContact CD1-CD1 4.4Å; I194-Y208 HydrophobicContact CD1-CE1 4.17Å; I194-Y208 HydrophobicContact CG1-CD1 4.06Å; I194-Y208 HydrophobicContact CG1-CE1 4.25Å; I194-Y208 HydrophobicContact CG2-CE1 4.45Å; K206-Y208 HydrophobicContact CB-CE2 3.77Å
209L40.8Very low39.7Very low17 Ų1796.6 Ų96.69%0.08949%0.486CS..EExtended strand (participates in β ladder)trans-102123.4171.4-61.4167.6000107.8R192 E193 L207 V216 Y218R192-L209 CarbonylContact C-O 3.51Å; R192-L209 VanDerWaalsContact CA-O 3.24Å; R192-L209 WeakPolarHBondContact CA-O 3.05Å; E193-L209 HydrophobicContact CB-CB 4.06Å; E193-L209 HydrophobicContact CB-CD1 4.06Å; E193-L209 HydrophobicContact CG-CD1 4.16Å; E193-L209 PolarHBondContact N-O 2.6Å; E193-L209 PolarHBondContact O-N 3.14Å; L207-L209 HydrophobicContact CD2-CD2 4.34Å; L207-L209 HydrophobicContact CD2-CG 4.39Å; L207-L209 HydrophobicContact CG-CG 4.49Å; L209-V216 HydrophobicContact CD2-CG1 4.38Å; L209-Y218 HydrophobicContact CD2-CD1 3.69Å; L209-Y218 HydrophobicContact CD2-CE1 3.92Å
210V39.7Very low38.8Very low75 Ų7599.4 Ų99.446%0.45551%0.507SS..EExtended strand (participates in β ladder)trans-116.9114173.4-174.30000107.2V190 R192V190-V210 HydrophobicContact CG1-CG1 4.07Å; R192-V210 HydrophobicContact CG-CG2 4.42Å
211G37.1Very low37.8Very low15 Ų1595.7 Ų95.716%0.15549%0.491CS..EExtended strand (participates in β ladder)trans-107.5132.617400000110.7R191R191-G211 PolarHBondContact O-N 2.85Å
212Q36Very low37.2Very low126 Ų12693.5 Ų93.559%0.58949%0.49SS*.EExtended strand (participates in β ladder)trans-107.6108.6156.4-80.9-165.8-10.900108.2
213G40.5Very low36.9Very low73 Ų7394.7 Ų94.775%0.75348%0.48SS*.THydrogen-bonded Turntrans66.8-150.7-179.200000114.1K215G213-K215 PolarHBondContact O-N 2.7Å
214K27.2Very low36.9Very low222 Ų22289.5 Ų89.597%0.96546%0.458SS*.THydrogen-bonded Turntrans-75.31.4-171.9-69.5-173.4177.4-178.80114.9
215K29.8Very low36.5Very low171 Ų17187.6 Ų87.674%0.74345%0.448SS*.EExtended strand (participates in β ladder)trans-114.2119.2176.1-83.9-177.9174.2-178.70109.6G213G213-K215 PolarHBondContact O-N 2.7Å
216V29Very low36.3Very low73 Ų7393 Ų9344%0.44247%0.467SS..EExtended strand (participates in β ladder)trans-103.2118173.6178.80000106.7L209L209-V216 HydrophobicContact CD2-CG1 4.38Å
217E32.1Very low36.4Very low73 Ų7390.5 Ų90.534%0.34146%0.462SS..EExtended strand (participates in β ladder)trans-109.5140.2169.8-70.9-164.817700110.2F219E217-F219 HydrophobicContact CB-CE2 4.02Å; E217-F219 HydrophobicContact CB-CZ 4.49Å
218Y31Very low36.5Very low156 Ų15691.5 Ų91.561%0.61246%0.464SS*.EExtended strand (participates in β ladder)trans-95.2125.9-167.5-58.1-95.3000110.2L209L209-Y218 HydrophobicContact CD2-CD1 3.69Å; L209-Y218 HydrophobicContact CD2-CE1 3.92Å
219F33.7Very low36.5Very low85 Ų8590.1 Ų90.137%0.37346%0.458SS..  trans-135.3117.6168.3-58.5-81.7000110.3F12 N16 E217F12-F219 HydrophobicContact CE1-CE2 4.48Å; F12-F219 HydrophobicContact CE1-CZ 4.42Å; N16-F219 HydrophobicContact CB-CE1 4.36Å; E217-F219 HydrophobicContact CB-CE2 4.02Å; E217-F219 HydrophobicContact CB-CZ 4.49Å
220S33.7Very low36.5Very low79 Ų7989.8 Ų89.855%0.55246%0.456SS*.  trans-107.213416573.20000109.5N232S220-N232 PolarHBondContact O-OD1 3.23Å
221C34.2Very low36.3Very low54 Ų5488.5 Ų88.537%0.36545%0.447SS..  trans-133.9121.7164.7-1760000108.6C25 C230C25-C221 HydrophobicContact CB-CB 4.44Å; C25-C221 WeakPolarHBondContact CB-SG 3.44Å; C25-C221 WeakPolarHBondContact SG-CB 3.43Å; C25-C221 CovalentContact SG-SG 2.09Å; C25-C221 PolarHBondContact SG-SG 3Å; C221-C230 WeakPolarHBondContact SG-CB 3.39Å; C221-C230 PolarHBondContact SG-SG 3Å
222C34.6Very low36.1Very low80 Ų8091.1 Ų91.154%0.54146%0.457SS..EExtended strand (participates in β ladder)trans-100.3125.7159-71.40000108C230 I231C222-C230 CarbonylContact O-C 3.58Å; C222-C230 WeakPolarHBondContact O-CA 3.23Å; C222-I231 HydrophobicContact CB-CB 4.08Å; C222-I231 WeakPolarHBondContact O-CB 3.22Å; C222-I231 PolarHBondContact O-N 3.47Å
223F37.7Very low35.8Very low82 Ų8289.7 Ų89.736%0.3645%0.45SS..EExtended strand (participates in β ladder)trans-93.7129.2-179.6-173.6-100.6000110.5N225F223-N225 WeakPolarHBondContact CD1-OD1 3.38Å; F223-N225 WeakPolarHBondContact CE1-OD1 3.26Å
224N40Very low35Very low27 Ų2791.8 Ų91.814%0.14445%0.448CS..  trans-96.3111.9173.4-170.7-33.2000110.4R226 T227 R228 R229 I231N224-R226 VanDerWaalsContact C-N 3.28Å; N224-R226 PolarHBondContact O-N 3.37Å; N224-R226 WeakPolarHBondContact OD1-CA 3.35Å; N224-R226 WeakPolarHBondContact OD1-CB 3.29Å; N224-R226 PolarHBondContact OD1-N 2.99Å; N224-T227 VanDerWaalsContact CB-OG1 3.24Å; N224-T227 WeakPolarHBondContact CB-OG1 3.16Å; N224-T227 VanDerWaalsContact CG-OG1 3.27Å; N224-T227 PolarHBondContact O-N 3.32Å; N224-T227 PolarHBondContact OD1-N 2.88Å; N224-R228 WeakPolarHBondContact O-CA 3.33Å; N224-R228 PolarHBondContact O-N 2.9Å; N224-R229 WeakPolarHBondContact CB-O 3.48Å; N224-R229 PolarHBondContact N-O 2.77Å; N224-I231 HydrophobicContact CB-CD1 3.7Å; N224-I231 HydrophobicContact CB-CG1 3.74Å
225N36Very low34.9Very low88 Ų8885.7 Ų85.747%0.47142%0.42SS..THydrogen-bonded Turntrans-64.2-27.6178.6-77.8-9.2000113.9F223F223-N225 WeakPolarHBondContact CD1-OD1 3.38Å; F223-N225 WeakPolarHBondContact CE1-OD1 3.26Å
226R37.9Very low34.6Very low183 Ų18382.4 Ų82.469%0.69141%0.414SS*.THydrogen-bonded Turntrans-74.6-42.6177.1-76-173.2179.7-167.6-1.9111.8N224 E241N224-R226 VanDerWaalsContact C-N 3.28Å; N224-R226 PolarHBondContact O-N 3.37Å; N224-R226 WeakPolarHBondContact OD1-CA 3.35Å; N224-R226 WeakPolarHBondContact OD1-CB 3.29Å; N224-R226 PolarHBondContact OD1-N 2.99Å; R226-E241 IonicContact CZ-OE2 3.88Å; R226-E241 IonicContact NH1-OE2 3.93Å; R226-E241 PolarHBondContact NH1-OE2 2.82Å; R226-E241 IonicContact NH2-OE2 2.83Å; R226-E241 PolarHBondContact NH2-OE2 3.35Å
227T47.3Very low34.3Very low71 Ų7185.1 Ų85.144%0.43643%0.427SS..THydrogen-bonded Turntrans-97.2-8.7-173.363.60000113.8N224 R229N224-T227 VanDerWaalsContact CB-OG1 3.24Å; N224-T227 WeakPolarHBondContact CB-OG1 3.16Å; N224-T227 VanDerWaalsContact CG-OG1 3.27Å; N224-T227 PolarHBondContact O-N 3.32Å; N224-T227 PolarHBondContact OD1-N 2.88Å; T227-R229 PolarHBondContact O-N 3.2Å; T227-R229 PolarHBondContact OG1-N 2.69Å
228R47.5Very low33.9Very low46 Ų4685.3 Ų85.317%0.17444%0.44CS..  trans52.317.6-170-62.4-169.7178.6-174.93.7114.1E145 F148 N224E145-R228 IonicContact OE1-NH1 3Å; E145-R228 IonicContact OE2-CZ 3.74Å; E145-R228 IonicContact OE2-NH1 2.74Å; E145-R228 PolarHBondContact OE2-NH1 3.37Å; E145-R228 IonicContact OE2-NH2 3.18Å; F148-R228 HydrophobicContact CZ-CB 3.97Å; N224-R228 WeakPolarHBondContact O-CA 3.33Å; N224-R228 PolarHBondContact O-N 2.9Å
229R41.7Very low33.5Very low97 Ų9783.1 Ų83.137%0.36645%0.447SS..SBendtrans-105.5154.6178-72.9-175.5-176.9176.21.3110.1G23 F148 N224 T227G23-R229 CarbonylContact O-C 3.55Å; G23-R229 VanDerWaalsContact O-CA 3.23Å; G23-R229 WeakPolarHBondContact O-CA 3.47Å; G23-R229 VanDerWaalsContact O-CB 3.32Å; G23-R229 WeakPolarHBondContact O-CB 3.18Å; F148-R229 HydrophobicContact CD2-CG 4.02Å; F148-R229 HydrophobicContact CE2-CG 4.04Å; F148-R229 HydrophobicContact CG-CG 4.46Å; F148-R229 HydrophobicContact CZ-CG 4.5Å; N224-R229 WeakPolarHBondContact CB-O 3.48Å; N224-R229 PolarHBondContact N-O 2.77Å; T227-R229 PolarHBondContact O-N 3.2Å; T227-R229 PolarHBondContact OG1-N 2.69Å
230C40.6Very low33.2Very low9 Ų988.8 Ų88.86%0.06147%0.471CS..EExtended strand (participates in β ladder)trans-88119.4173.7-65.70000108.3G23 V24 C25 C221 C222 N232G23-C230 PolarHBondContact O-N 3.16Å; V24-C230 VanDerWaalsContact C-SG 3.53Å; C25-C230 WeakPolarHBondContact CA-SG 3.27Å; C25-C230 HydrophobicContact CB-CB 4.43Å; C25-C230 WeakPolarHBondContact CB-SG 3.5Å; C25-C230 PolarHBondContact N-SG 2.93Å; C25-C230 PolarHBondContact SG-SG 2.09Å; C221-C230 WeakPolarHBondContact SG-CB 3.39Å; C221-C230 PolarHBondContact SG-SG 3Å; C222-C230 CarbonylContact O-C 3.58Å; C222-C230 WeakPolarHBondContact O-CA 3.23Å; C230-N232 PolarHBondContact O-N 3.13Å
231I35.1Very low32.9Very low49 Ų4991.2 Ų91.225%0.25147%0.474SS..EExtended strand (participates in β ladder)trans-74.785.5172.6-56-177.8000105.7C222 N224 E233C222-I231 HydrophobicContact CB-CB 4.08Å; C222-I231 WeakPolarHBondContact O-CB 3.22Å; C222-I231 PolarHBondContact O-N 3.47Å; N224-I231 HydrophobicContact CB-CD1 3.7Å; N224-I231 HydrophobicContact CB-CG1 3.74Å; I231-E233 HydrophobicContact CG2-CB 3.37Å; I231-E233 HydrophobicContact CG2-CG 3.53Å; I231-E233 WeakPolarHBondContact CG2-OE2 3.12Å; I231-E233 PolarHBondContact O-N 3.25Å
232N32.2Very low32.6Very low70 Ų7098.3 Ų98.337%0.37450%0.502SS..  trans-79.471.3146.9-9413.7000106.6L20 S220 C230L20-N232 HydrophobicContact CD1-CB 4Å; L20-N232 WeakPolarHBondContact CD1-ND2 3.17Å; S220-N232 PolarHBondContact O-OD1 3.23Å; C230-N232 PolarHBondContact O-N 3.13Å
233E29.6Very low32.4Very low95 Ų95103.6 Ų103.644%0.44452%0.515SS..  trans-112.499.9167.6-66.8171.3-179.100106.6I231 Y235I231-E233 HydrophobicContact CG2-CB 3.37Å; I231-E233 HydrophobicContact CG2-CG 3.53Å; I231-E233 WeakPolarHBondContact CG2-OE2 3.12Å; I231-E233 PolarHBondContact O-N 3.25Å; E233-Y235 PolarHBondContact O-N 3.36Å
234V25.1Very low31.9Very low117 Ų117108.9 Ų108.971%0.70954%0.538SS*.SBend-47.4100128.3179.80000106
235Y23.6Very low31.2Very low94 Ų94112.6 Ų112.637%0.36957%0.572SS.*SBendtrans24.6101162.6-67.2-108.9000116.6D199 D200 K205 E233D199-Y235 WeakPolarHBondContact CA-OH 3.34Å; D199-Y235 HydrophobicContact CB-CE1 3.74Å; D199-Y235 WeakPolarHBondContact CB-OH 3.3Å; D200-Y235 WeakPolarHBondContact OD1-CE1 3.48Å; D200-Y235 PolarHBondContact OD1-OH 3.14Å; K205-Y235 PolarHBondContact NZ-OH 2.91Å; K205-Y235 VanDerWaalsContact NZ-OH 3.16Å; E233-Y235 PolarHBondContact O-N 3.36Å
236T24.2Very low30.8Very low102 Ų102117 Ų11763%0.62659%0.588SS**  trans-159.6110.1134.143.60000110.7A238T236-A238 PolarHBondContact O-N 3.2Å
237D22.6Very low30.2Very low131 Ų131112.9 Ų112.970%0.70159%0.587SS**  trans1295.8154.7-63.9-49.6000120K201K201-D237 VanDerWaalsContact NZ-CG 3.35Å; K201-D237 IonicContact NZ-OD1 2.79Å; K201-D237 PolarHBondContact NZ-OD1 3.11Å; K201-D237 IonicContact NZ-OD2 3.44Å; K201-D237 PolarHBondContact NZ-OD2 2.68Å
238A24.2Very low29.3Very low76 Ų76115.1 Ų115.163%0.62861%0.605SS**  trans-152.365.7154.500000112.2T236T236-A238 PolarHBondContact O-N 3.2Å
239C22.8Very low28.3Very low110 Ų110120 Ų12074%0.74363%0.633SS**  trans-156.370.3160.5-124.80000110.3
240K25.7Very low27.7Very low205 Ų205119.6 Ų119.689%0.89165%0.646SS**  trans-10992.2160.6-79.4-174.4179.5176.90107.8
241E28.5Very low27.2Very low130 Ų130125.2 Ų125.261%0.60768%0.682SS**  trans-161.761.8154.5-114.2174.6-166.500109.5R226R226-E241 IonicContact CZ-OE2 3.88Å; R226-E241 IonicContact NH1-OE2 3.93Å; R226-E241 PolarHBondContact NH1-OE2 2.82Å; R226-E241 IonicContact NH2-OE2 2.83Å; R226-E241 PolarHBondContact NH2-OE2 3.35Å
242Q27.3Very low26.9Very low203 Ų203130.2 Ų130.295%0.94971%0.709SS**  trans-8889.1145.3-77.5-176.5-3.900106.4
243K30.6Very low26.6Very low191 Ų191129.9 Ų129.983%0.8372%0.723SS**  trans-106.8117154.5-83.4-173.7178.9176.10107A245K243-A245 PolarHBondContact O-N 3.31Å; K243-A245 VanDerWaalsContact O-N 3.13Å
244K26.4Very low26.6Very low192 Ų192134.1 Ų134.184%0.83574%0.742SS**  trans-28.2113.8161.4-69.5172.6172.6178.60109.8K246K244-K246 PolarHBondContact O-N 3.07Å
245A26.3Very low26.7Very low105 Ų105137.2 Ų137.287%0.86875%0.753SS**  trans-65.191.9156.100000105.8K243 S247K243-A245 PolarHBondContact O-N 3.31Å; K243-A245 VanDerWaalsContact O-N 3.13Å; A245-S247 PolarHBondContact O-N 2.68Å
246K27.4Very low27Very low181 Ų181137 Ų13779%0.78776%0.761SS**  trans-61.5122.7162.8-79.6-177.2173.6-176.50105.9K244 S248K244-K246 PolarHBondContact O-N 3.07Å; K246-S248 PolarHBondContact O-N 2.59Å; K246-S248 VanDerWaalsContact O-N 3.11Å
247S25.4Very low28Very low96 Ų96136.7 Ų136.767%0.67176%0.756SS**  trans-42.6113.8158.6510000109.5A245 I249A245-S247 PolarHBondContact O-N 2.68Å; S247-I249 PolarHBondContact O-N 2.91Å
248S28.7Very low30Very low118 Ų118136.3 Ų136.383%0.82575%0.754SS**  trans-74104.916449.40000107.3K246 S250K246-S248 PolarHBondContact O-N 2.59Å; K246-S248 VanDerWaalsContact O-N 3.11Å; S248-S250 PolarHBondContact O-N 2.79Å
249I26.9Very low32.2Very low148 Ų148135.9 Ų135.976%0.75975%0.746SS**  trans-71.7114.8171.9-65166.4000107.1S247S247-I249 PolarHBondContact O-N 2.91Å
250S27.7Very low34.9Very low90 Ų90136.8 Ų136.863%0.62974%0.738SS**  trans-79.1133.3156.449.60000108.4S248 D252S248-S250 PolarHBondContact O-N 2.79Å; S250-D252 PolarHBondContact O-N 3.28Å
251P30.2Very low37.7Very low127 Ų127132.4 Ų132.483%0.82572%0.719SS**SBendtrans-81.864.4-178.434.5-34.1000110.4
252D29.5Very low40.5Very low153 Ų153128.3 Ų128.382%0.81870%0.701SS**SBendtrans176130.9155.3-112.4-22.3000110.4S250S250-D252 PolarHBondContact O-N 3.28Å
253G26.5Very low43Very low64 Ų64122.7 Ų122.766%0.6668%0.675SS**SBendtrans86.9100.9153.700000119.3
254H29Very low45.6Very low184 Ų184118.7 Ų118.785%0.85266%0.659SS**  trans46.7100.4155.1-75.3-77.9000119.5V256H254-V256 PolarHBondContact O-N 2.93Å
255L26.4Very low48.7Very low181 Ų181110.5 Ų110.595%0.94863%0.626SS**  trans-64.794.1160.5-73.5164.6000110.2D257L255-D257 PolarHBondContact O-N 2.92Å
256V31Very low51.9Low89 Ų89106.1 Ų106.154%0.53959%0.588SS.*  trans-73.8109.1161.7-179.10000106.9H254 N258 K261H254-V256 PolarHBondContact O-N 2.93Å; V256-N258 PolarHBondContact O-N 3.46Å; V256-K261 HydrophobicContact CG1-CD 4.36Å
257D44.5Very low54.5Low97 Ų97102.2 Ų102.252%0.51957%0.572SS.*  trans-68.397.3-178.7-178.716.7000110.9L255 S259 K260 K261L255-D257 PolarHBondContact O-N 2.92Å; D257-S259 PolarHBondContact O-N 3.13Å; D257-S259 VanDerWaalsContact O-N 3.13Å; D257-S259 WeakPolarHBondContact OD1-CA 3.44Å; D257-S259 WeakPolarHBondContact OD1-CB 3.26Å; D257-S259 PolarHBondContact OD1-N 3.14Å; D257-K260 HydrophobicContact CB-CB 4.37Å; D257-K260 PolarHBondContact O-N 3.09Å; D257-K260 VanDerWaalsContact O-N 3.11Å; D257-K260 PolarHBondContact OD2-N 3.38Å; D257-K261 PolarHBondContact O-N 2.69Å
258N64.2Low57.6Low123 Ų123100.2 Ų100.266%0.65856%0.558SS**Hα-helixtrans-56.5-23.4173.5-78.2-23.6000112.2V256 L262V256-N258 PolarHBondContact O-N 3.46Å; N258-L262 WeakPolarHBondContact O-CB 3.41Å; N258-L262 PolarHBondContact O-N 3.09Å
259S72.1Confident60.9Low66 Ų6694.7 Ų94.746%0.46252%0.519SS..Hα-helixtrans-65.2-44.7175.7-163.60000111.5D257 L262 Q263D257-S259 PolarHBondContact O-N 3.13Å; D257-S259 VanDerWaalsContact O-N 3.13Å; D257-S259 WeakPolarHBondContact OD1-CA 3.44Å; D257-S259 WeakPolarHBondContact OD1-CB 3.26Å; D257-S259 PolarHBondContact OD1-N 3.14Å; S259-L262 PolarHBondContact O-N 3.43Å; S259-Q263 WeakPolarHBondContact O-CG 3.47Å; S259-Q263 PolarHBondContact O-N 3.09Å
260K78.1Confident64Low130 Ų13088.4 Ų88.457%0.56549%0.488SS*.Hα-helixtrans-62.9-48.1178.5-169.2-179.2179.9-170.90112D257 L262 Q263 E264D257-K260 HydrophobicContact CB-CB 4.37Å; D257-K260 PolarHBondContact O-N 3.09Å; D257-K260 VanDerWaalsContact O-N 3.11Å; D257-K260 PolarHBondContact OD2-N 3.38Å; K260-L262 VanDerWaalsContact C-N 3.3Å; K260-L262 PolarHBondContact O-N 3.25Å; K260-Q263 PolarHBondContact O-N 3.15Å; K260-E264 WeakPolarHBondContact CE-OE1 3.32Å; K260-E264 WeakPolarHBondContact O-CG 3.42Å; K260-E264 PolarHBondContact O-N 3.17Å
261K84.6Confident67Low112 Ų11290.4 Ų90.449%0.48749%0.487SS..Hα-helixtrans-60.8-38.4176.8-73.3-172.3176.1-174.90112.4V256 D257 S265V256-K261 HydrophobicContact CG1-CD 4.36Å; D257-K261 PolarHBondContact O-N 2.69Å; K261-S265 WeakPolarHBondContact O-CB 3.12Å; K261-S265 PolarHBondContact O-N 3.19Å; K261-S265 PolarHBondContact O-OG 2.96Å
262L86.7Confident70.1Confident45 Ų4585.1 Ų85.124%0.23645%0.452CS..Hα-helixtrans-64.6-45.5176-178.165.1000111.4N258 S259 K260 S265 I266 L335 I381N258-L262 WeakPolarHBondContact O-CB 3.41Å; N258-L262 PolarHBondContact O-N 3.09Å; S259-L262 PolarHBondContact O-N 3.43Å; K260-L262 VanDerWaalsContact C-N 3.3Å; K260-L262 PolarHBondContact O-N 3.25Å; L262-S265 WeakPolarHBondContact O-CB 3.43Å; L262-S265 PolarHBondContact O-N 3.35Å; L262-I266 HydrophobicContact CG-CD1 4.34Å; L262-I266 WeakPolarHBondContact O-CG1 3.47Å; L262-I266 PolarHBondContact O-N 3.01Å; L262-L335 HydrophobicContact CD1-CD2 4.49Å; L262-I381 HydrophobicContact CD1-CB 3.66Å; L262-I381 HydrophobicContact CD1-CD1 4.26Å; L262-I381 HydrophobicContact CD1-CG2 3.94Å
263Q80.4Confident73.3Confident85 Ų8577.8 Ų77.840%0.39741%0.413SS..Hα-helixtrans-63.2-44.4176.6-73.2-64.7-29.600112.2S259 K260 S265 I266 H267S259-Q263 WeakPolarHBondContact O-CG 3.47Å; S259-Q263 PolarHBondContact O-N 3.09Å; K260-Q263 PolarHBondContact O-N 3.15Å; Q263-S265 VanDerWaalsContact C-N 3.27Å; Q263-S265 PolarHBondContact O-N 3.44Å; Q263-I266 PolarHBondContact O-N 3Å; Q263-H267 PolarHBondContact O-N 3.19Å; Q263-H267 PolarHBondContact O-ND1 2.69Å
264E86.2Confident76.6Confident106 Ų10676.5 Ų76.550%0.49539%0.391SS..Hα-helixtrans-59.3-39.7174-73169.5178.600111.4K260 H267 S268K260-E264 WeakPolarHBondContact CE-OE1 3.32Å; K260-E264 WeakPolarHBondContact O-CG 3.42Å; K260-E264 PolarHBondContact O-N 3.17Å; E264-H267 PolarHBondContact O-N 2.84Å; E264-S268 WeakPolarHBondContact O-CB 3.43Å; E264-S268 PolarHBondContact O-N 3.18Å
265S91.6Very high79.8Confident21 Ų2173 Ų7315%0.14738%0.375CS..Hα-helixtrans-67.2-42.3176.9-61.20000112.6K261 L262 Q263 H267 S268 V269 L335K261-S265 WeakPolarHBondContact O-CB 3.12Å; K261-S265 PolarHBondContact O-N 3.19Å; K261-S265 PolarHBondContact O-OG 2.96Å; L262-S265 WeakPolarHBondContact O-CB 3.43Å; L262-S265 PolarHBondContact O-N 3.35Å; Q263-S265 VanDerWaalsContact C-N 3.27Å; Q263-S265 PolarHBondContact O-N 3.44Å; S265-H267 VanDerWaalsContact C-N 3.32Å; S265-H267 PolarHBondContact O-N 2.77Å; S265-S268 WeakPolarHBondContact O-CB 3.41Å; S265-S268 PolarHBondContact O-N 3.22Å; S265-V269 VanDerWaalsContact O-CG2 3.3Å; S265-V269 WeakPolarHBondContact O-CG2 3.46Å; S265-V269 PolarHBondContact O-N 2.71Å; S265-L335 WeakPolarHBondContact OG-CD2 3.34Å; S265-L335 WeakPolarHBondContact OG-CG 3.43Å
266I91.8Very high83.2Confident12 Ų1265.5 Ų65.56%0.06233%0.334CS..Hα-helixtrans-58-45.8174-72.6167.2000110.6L262 Q263 V269 V270 L287 V379 I381L262-I266 HydrophobicContact CG-CD1 4.34Å; L262-I266 WeakPolarHBondContact O-CG1 3.47Å; L262-I266 PolarHBondContact O-N 3.01Å; Q263-I266 PolarHBondContact O-N 3Å; I266-V269 PolarHBondContact O-N 3.42Å; I266-V270 WeakPolarHBondContact O-CG2 3.41Å; I266-V270 PolarHBondContact O-N 3.33Å; I266-L287 HydrophobicContact CG2-CD1 4.18Å; I266-L287 HydrophobicContact CG2-CD2 3.81Å; I266-V379 HydrophobicContact CG1-CB 4.39Å; I266-V379 HydrophobicContact CG1-CG1 4.12Å; I266-V379 HydrophobicContact CG2-CB 4.09Å; I266-I381 HydrophobicContact CG1-CD1 4.03Å
267H83.4Confident86.3Confident100 Ų10061.3 Ų61.346%0.46331%0.308SS..Hα-helixtrans-63.6-42.2177.4-74.182.4000111.8Q263 E264 S265 V269 V270 Q271Q263-H267 PolarHBondContact O-N 3.19Å; Q263-H267 PolarHBondContact O-ND1 2.69Å; E264-H267 PolarHBondContact O-N 2.84Å; S265-H267 VanDerWaalsContact C-N 3.32Å; S265-H267 PolarHBondContact O-N 2.77Å; H267-V269 VanDerWaalsContact C-N 3.34Å; H267-V269 PolarHBondContact O-N 3.1Å; H267-V270 PolarHBondContact O-N 3.08Å; H267-Q271 WeakPolarHBondContact O-CB 3.42Å; H267-Q271 VanDerWaalsContact O-CG 3.31Å; H267-Q271 WeakPolarHBondContact O-CG 3.48Å; H267-Q271 PolarHBondContact O-N 3.31Å
268S91.2Very high88.8Confident54 Ų5460.2 Ų60.238%0.37831%0.308SS..Hα-helixtrans-60.6-40.7175.7-177.40000112.3E264 S265 V270 Q271 L272E264-S268 WeakPolarHBondContact O-CB 3.43Å; E264-S268 PolarHBondContact O-N 3.18Å; S265-S268 WeakPolarHBondContact O-CB 3.41Å; S265-S268 PolarHBondContact O-N 3.22Å; S268-V270 PolarHBondContact O-N 2.71Å; S268-Q271 PolarHBondContact O-N 2.92Å; S268-L272 WeakPolarHBondContact O-CB 3.32Å; S268-L272 PolarHBondContact O-N 2.95Å
269V96.3Very high90.3Very high1 Ų157.7 Ų57.71%0.00629%0.293CS..Hα-helixtrans-57.1-49.6173.7170.40000111S265 I266 H267 L272 H273 C337 I341 V379 I381 L400S265-V269 VanDerWaalsContact O-CG2 3.3Å; S265-V269 WeakPolarHBondContact O-CG2 3.46Å; S265-V269 PolarHBondContact O-N 2.71Å; I266-V269 PolarHBondContact O-N 3.42Å; H267-V269 VanDerWaalsContact C-N 3.34Å; H267-V269 PolarHBondContact O-N 3.1Å; V269-L272 PolarHBondContact O-N 2.77Å; V269-H273 PolarHBondContact O-N 3.46Å; V269-H273 PolarHBondContact O-ND1 2.71Å; V269-C337 HydrophobicContact CG2-CB 3.62Å; V269-I341 HydrophobicContact CB-CD1 3.89Å; V269-I341 HydrophobicContact CG1-CD1 3.73Å; V269-I341 HydrophobicContact CG2-CD1 3.7Å; V269-V379 HydrophobicContact CB-CG1 4.09Å; V269-V379 HydrophobicContact CB-CG2 4.32Å; V269-V379 HydrophobicContact CG1-CG1 3.9Å; V269-V379 HydrophobicContact CG1-CG2 3.74Å; V269-V379 HydrophobicContact CG2-CG1 4.17Å; V269-I381 HydrophobicContact CG2-CD1 4.45Å; V269-L400 HydrophobicContact CG2-CD1 4.07Å
270V93.5Very high91.5Very high17 Ų1754.8 Ų54.810%0.10327%0.272CS..Hα-helixtrans-65.9-41.6-179.4-179.60000111.4I266 H267 S268 H273 N274 L287 I377 V379I266-V270 WeakPolarHBondContact O-CG2 3.41Å; I266-V270 PolarHBondContact O-N 3.33Å; H267-V270 PolarHBondContact O-N 3.08Å; S268-V270 PolarHBondContact O-N 2.71Å; V270-H273 PolarHBondContact O-N 2.84Å; V270-N274 WeakPolarHBondContact O-CB 3.32Å; V270-N274 PolarHBondContact O-N 2.88Å; V270-L287 HydrophobicContact CG2-CB 4.27Å; V270-L287 HydrophobicContact CG2-CD1 3.86Å; V270-L287 HydrophobicContact CG2-CG 4.45Å; V270-I377 HydrophobicContact CG1-CG2 4.2Å; V270-I377 HydrophobicContact CG2-CG2 3.88Å; V270-V379 HydrophobicContact CG2-CG2 4.04Å
271Q89Confident92.2Very high131 Ų13150.2 Ų50.261%0.61226%0.262SS*.Hα-helixtrans-60-46.3176.8-75.7173.4-19.400111.7H267 S268 N274 Q275H267-Q271 WeakPolarHBondContact O-CB 3.42Å; H267-Q271 VanDerWaalsContact O-CG 3.31Å; H267-Q271 WeakPolarHBondContact O-CG 3.48Å; H267-Q271 PolarHBondContact O-N 3.31Å; S268-Q271 PolarHBondContact O-N 2.92Å; Q271-N274 PolarHBondContact O-N 3.25Å; Q271-Q275 WeakPolarHBondContact O-CB 3.38Å; Q271-Q275 PolarHBondContact O-N 3.34Å
272L96Very high92.7Very high16 Ų1645.2 Ų45.28%0.08424%0.241CC..Hα-helixtrans-66.8-39.1179.7-173.257.4000112.1S268 V269 N274 Q275 Y276 K338 I341S268-L272 WeakPolarHBondContact O-CB 3.32Å; S268-L272 PolarHBondContact O-N 2.95Å; V269-L272 PolarHBondContact O-N 2.77Å; L272-N274 VanDerWaalsContact C-N 3.34Å; L272-N274 PolarHBondContact O-N 2.92Å; L272-Q275 PolarHBondContact O-N 3.17Å; L272-Y276 HydrophobicContact CD1-CD2 4.22Å; L272-Y276 HydrophobicContact CD1-CE2 3.6Å; L272-Y276 HydrophobicContact CD2-CE2 4.28Å; L272-Y276 HydrophobicContact CG-CD2 4.12Å; L272-Y276 HydrophobicContact CG-CE2 3.63Å; L272-Y276 WeakPolarHBondContact O-CD2 3.42Å; L272-Y276 PolarHBondContact O-N 2.78Å; L272-K338 HydrophobicContact CD2-CB 4.39Å; L272-K338 HydrophobicContact CD2-CG 4Å; L272-I341 HydrophobicContact CB-CG2 4.47Å; L272-I341 HydrophobicContact CD2-CB 3.69Å; L272-I341 HydrophobicContact CD2-CD1 4.04Å; L272-I341 HydrophobicContact CD2-CG1 4.49Å; L272-I341 HydrophobicContact CD2-CG2 3.68Å; L272-I341 HydrophobicContact CG-CB 4.41Å; L272-I341 HydrophobicContact CG-CG2 3.84Å
273H97.6Very high92.8Very high0 Ų048.9 Ų48.90%026%0.261CS..Hα-helixtrans-57.5-48.2170.4-80.169.7000111.2V269 V270 Q275 Y276 R277 L285 Y404V269-H273 PolarHBondContact O-N 3.46Å; V269-H273 PolarHBondContact O-ND1 2.71Å; V270-H273 PolarHBondContact O-N 2.84Å; H273-Q275 VanDerWaalsContact C-N 3.34Å; H273-Q275 PolarHBondContact O-N 3.22Å; H273-Y276 PolarHBondContact O-N 2.83Å; H273-R277 WeakPolarHBondContact O-CB 3.37Å; H273-R277 WeakPolarHBondContact O-CG 3.41Å; H273-R277 PolarHBondContact O-N 2.91Å; H273-L285 HydrophobicContact CB-CD1 4.36Å; H273-Y404 AromaticContact CD2-CE1 3.77Å; H273-Y404 PolarHBondContact CD2-OH 3.44Å; H273-Y404 AromaticContact NE2-CE1 3.9Å; H273-Y404 AromaticContact NE2-CZ 3.69Å; H273-Y404 PolarHBondContact NE2-OH 2.83Å
274N95.8Very high93.3Very high37 Ų3749 Ų4920%0.19827%0.269CS..Hα-helixtrans-68.9-32.4-177.8-72.6-17.3000112.7V270 Q271 L272 R277 S278 P284 L285V270-N274 WeakPolarHBondContact O-CB 3.32Å; V270-N274 PolarHBondContact O-N 2.88Å; Q271-N274 PolarHBondContact O-N 3.25Å; L272-N274 VanDerWaalsContact C-N 3.34Å; L272-N274 PolarHBondContact O-N 2.92Å; N274-R277 PolarHBondContact O-N 3.22Å; N274-S278 WeakPolarHBondContact O-CB 3.41Å; N274-S278 PolarHBondContact O-N 2.96Å; N274-S278 PolarHBondContact O-OG 3.36Å; N274-P284 HydrophobicContact CB-CB 4.3Å; N274-P284 WeakPolarHBondContact OD1-CA 3.49Å; N274-L285 PolarHBondContact ND2-O 3.34Å; N274-L285 PolarHBondContact OD1-N 3.14Å
275Q94.9Very high93.7Very high110 Ų11044.1 Ų44.151%0.51425%0.246SC..Hα-helixtrans-63.7-41.5170.9-178.7-178-10.500112Q271 L272 H273 S278 Q279Q271-Q275 WeakPolarHBondContact O-CB 3.38Å; Q271-Q275 PolarHBondContact O-N 3.34Å; L272-Q275 PolarHBondContact O-N 3.17Å; H273-Q275 VanDerWaalsContact C-N 3.34Å; H273-Q275 PolarHBondContact O-N 3.22Å; Q275-S278 PolarHBondContact O-OG 2.85Å; Q275-Q279 WeakPolarHBondContact O-CG 3.22Å; Q275-Q279 PolarHBondContact O-N 3.2Å
276Y97.7Very high93.5Very high24 Ų2447.4 Ų47.49%0.09427%0.265CS..Hα-helixtrans-70-42.9173.9-71-47.5000111.7L272 H273 S278 Q279 H280 I341 E342 Y345L272-Y276 HydrophobicContact CD1-CD2 4.22Å; L272-Y276 HydrophobicContact CD1-CE2 3.6Å; L272-Y276 HydrophobicContact CD2-CE2 4.28Å; L272-Y276 HydrophobicContact CG-CD2 4.12Å; L272-Y276 HydrophobicContact CG-CE2 3.63Å; L272-Y276 WeakPolarHBondContact O-CD2 3.42Å; L272-Y276 PolarHBondContact O-N 2.78Å; H273-Y276 PolarHBondContact O-N 2.83Å; Y276-S278 VanDerWaalsContact C-N 3.3Å; Y276-S278 PolarHBondContact O-N 2.86Å; Y276-Q279 WeakPolarHBondContact O-CB 3.22Å; Y276-Q279 PolarHBondContact O-N 3.2Å; Y276-Q279 VanDerWaalsContact O-N 3.11Å; Y276-H280 PolarHBondContact O-CD2 3.04Å; Y276-H280 VanDerWaalsContact O-CD2 3.3Å; Y276-H280 PolarHBondContact O-N 3.07Å; Y276-I341 HydrophobicContact CD2-CG2 4.27Å; Y276-I341 HydrophobicContact CE2-CG2 4.01Å; Y276-E342 VanDerWaalsContact OH-CG 3.31Å; Y276-E342 WeakPolarHBondContact OH-CG 3.47Å; Y276-Y345 AromaticContact CD1-CD1 3.56Å; Y276-Y345 HydrophobicContact CD1-CD1 3.56Å; Y276-Y345 AromaticContact CD1-CD2 3.49Å; Y276-Y345 HydrophobicContact CD1-CD2 3.49Å; Y276-Y345 VanDerWaalsContact CD1-CD2 3.49Å; Y276-Y345 AromaticContact CD1-CE1 3.45Å; Y276-Y345 HydrophobicContact CD1-CE1 3.45Å; Y276-Y345 VanDerWaalsContact CD1-CE1 3.45Å; Y276-Y345 AromaticContact CD1-CE2 3.41Å; Y276-Y345 HydrophobicContact CD1-CE2 3.41Å; Y276-Y345 VanDerWaalsContact CD1-CE2 3.41Å; Y276-Y345 AromaticContact CD1-CG 3.55Å; Y276-Y345 HydrophobicContact CD1-CG 3.55Å; Y276-Y345 AromaticContact CD1-CZ 3.35Å; Y276-Y345 AromaticContact CD2-CD2 3.86Å; Y276-Y345 HydrophobicContact CD2-CD2 3.86Å; Y276-Y345 HydrophobicContact CD2-CE2 4.49Å; Y276-Y345 AromaticContact CD2-CG 3.92Å; Y276-Y345 HydrophobicContact CD2-CG 3.92Å; Y276-Y345 AromaticContact CE1-CD1 3.28Å; Y276-Y345 HydrophobicContact CE1-CD1 3.28Å; Y276-Y345 HydrophobicContact CE1-CD2 4.03Å; Y276-Y345 AromaticContact CE1-CE1 3.45Å; Y276-Y345 HydrophobicContact CE1-CE1 3.45Å; Y276-Y345 VanDerWaalsContact CE1-CE1 3.45Å; Y276-Y345 HydrophobicContact CE1-CE2 4.19Å; Y276-Y345 AromaticContact CE1-CG 3.57Å; Y276-Y345 HydrophobicContact CE1-CG 3.57Å; Y276-Y345 AromaticContact CE1-CZ 3.9Å; Y276-Y345 HydrophobicContact CE2-CD1 4.38Å; Y276-Y345 HydrophobicContact CE2-CD2 4.33Å; Y276-Y345 AromaticContact CE2-CG 3.91Å; Y276-Y345 HydrophobicContact CE2-CG 3.91Å; Y276-Y345 HydrophobicContact CG-CD1 4.25Å; Y276-Y345 AromaticContact CG-CD2 3.41Å; Y276-Y345 HydrophobicContact CG-CD2 3.41Å; Y276-Y345 VanDerWaalsContact CG-CD2 3.41Å; Y276-Y345 HydrophobicContact CG-CE1 4.38Å; Y276-Y345 AromaticContact CG-CE2 3.6Å; Y276-Y345 HydrophobicContact CG-CE2 3.6Å; Y276-Y345 AromaticContact CG-CG 3.75Å; Y276-Y345 HydrophobicContact CG-CG 3.75Å; Y276-Y345 AromaticContact CZ-CD1 3.74Å; Y276-Y345 AromaticContact CZ-CG 3.74Å
277R97.7Very high93.3Very high0 Ų049.3 Ų49.30%028%0.275CS..Hα-helixtrans-59.7-39.1177.6-72.2174.470.384.6-2.9112.8H273 N274 Q279 H280 G281 S282 N283 I369 W371 S374H273-R277 WeakPolarHBondContact O-CB 3.37Å; H273-R277 WeakPolarHBondContact O-CG 3.41Å; H273-R277 PolarHBondContact O-N 2.91Å; N274-R277 PolarHBondContact O-N 3.22Å; R277-Q279 VanDerWaalsContact C-N 3.3Å; R277-Q279 PolarHBondContact O-N 3.27Å; R277-H280 CarbonylContact O-C 3.58Å; R277-H280 PolarHBondContact O-N 3.3Å; R277-G281 PolarHBondContact O-N 3.15Å; R277-G281 VanDerWaalsContact O-N 3.15Å; R277-S282 PolarHBondContact O-N 3.4Å; R277-N283 PolarHBondContact NE-O 3.4Å; R277-N283 PolarHBondContact NH2-O 2.87Å; R277-I369 WeakPolarHBondContact CD-O 3.28Å; R277-I369 WeakPolarHBondContact CG-O 3.43Å; R277-I369 PolarHBondContact NH1-O 3.45Å; R277-W371 PolarHBondContact NH1-O 2.89Å; R277-W371 PolarHBondContact NH2-O 2.91Å; R277-S374 PolarHBondContact NH2-O 2.64Å
278S96.1Very high93.6Very high74 Ų7445 Ų4552%0.51726%0.256SS..Hα-helixtrans-63.8-35.5176.8650000112.3N274 Q275 Y276 H280 G281N274-S278 WeakPolarHBondContact O-CB 3.41Å; N274-S278 PolarHBondContact O-N 2.96Å; N274-S278 PolarHBondContact O-OG 3.36Å; Q275-S278 PolarHBondContact O-OG 2.85Å; Y276-S278 VanDerWaalsContact C-N 3.3Å; Y276-S278 PolarHBondContact O-N 2.86Å; S278-H280 PolarHBondContact O-N 3.11Å; S278-G281 PolarHBondContact O-N 3Å
279Q96.7Very high93.1Very high71 Ų7147.9 Ų47.933%0.33226%0.263SS..Hα-helixtrans-61-27.9173.8-66.7171.532.600111.7Q275 Y276 R277 Y345 A421 I422Q275-Q279 WeakPolarHBondContact O-CG 3.22Å; Q275-Q279 PolarHBondContact O-N 3.2Å; Y276-Q279 WeakPolarHBondContact O-CB 3.22Å; Y276-Q279 PolarHBondContact O-N 3.2Å; Y276-Q279 VanDerWaalsContact O-N 3.11Å; R277-Q279 VanDerWaalsContact C-N 3.3Å; R277-Q279 PolarHBondContact O-N 3.27Å; Q279-Y345 PolarHBondContact OE1-OH 3.24Å; Q279-A421 CarbonylContact O-C 3.53Å; Q279-A421 WeakPolarHBondContact O-CA 3.26Å; Q279-I422 PolarHBondContact O-N 2.94Å
280H96.2Very high92.2Very high4 Ų452.5 Ų52.52%0.01929%0.288CS..THydrogen-bonded Turntrans-101.25.7-179.1-70.1-95.6000113.9Y276 R277 S278 S282 Y345 F366 V370 K419Y276-H280 PolarHBondContact O-CD2 3.04Å; Y276-H280 VanDerWaalsContact O-CD2 3.3Å; Y276-H280 PolarHBondContact O-N 3.07Å; R277-H280 CarbonylContact O-C 3.58Å; R277-H280 PolarHBondContact O-N 3.3Å; S278-H280 PolarHBondContact O-N 3.11Å; H280-S282 PolarHBondContact O-N 3.27Å; H280-Y345 AromaticContact NE2-CE2 3.54Å; H280-Y345 AromaticContact NE2-CZ 3.64Å; H280-Y345 PolarHBondContact NE2-OH 2.88Å; H280-F366 AromaticContact CE1-CE2 3.72Å; H280-F366 AromaticContact CE1-CZ 3.6Å; H280-F366 AromaticContact NE2-CE2 3.69Å; H280-V370 HydrophobicContact CB-CB 4.22Å; H280-V370 HydrophobicContact CB-CG1 4.33Å; H280-K419 PolarHBondContact ND1-O 3.45Å; H280-K419 WeakPolarHBondContact O-CB 3.36Å
281G94Very high91.7Very high35 Ų3551.7 Ų51.736%0.36128%0.283SS..THydrogen-bonded Turntrans65.726.9-176.400000113.9R277 S278R277-G281 PolarHBondContact O-N 3.15Å; R277-G281 VanDerWaalsContact O-N 3.15Å; S278-G281 PolarHBondContact O-N 3Å
282S94.2Very high91.7Very high7 Ų745.7 Ų45.75%0.04926%0.255CS..PPolyproline II helixtrans-94136.8174.4-69.50000110.1R277 H280 V370R277-S282 PolarHBondContact O-N 3.4Å; H280-S282 PolarHBondContact O-N 3.27Å; S282-V370 WeakPolarHBondContact CB-O 3.34Å; S282-V370 PolarHBondContact OG-O 3.01Å
283N89.5Confident91Very high122 Ų12248.3 Ų48.365%0.65227%0.27SS*.PPolyproline II helixtrans-58.5145.3179-71.4-26.5000111.3R277R277-N283 PolarHBondContact NE-O 3.4Å; R277-N283 PolarHBondContact NH2-O 2.87Å
284P91.1Very high90.6Very high87 Ų8750 Ų5057%0.56528%0.278SS*.PPolyproline II helixtrans-62.1141179.226.6-34.6000111.8N274N274-P284 HydrophobicContact CB-CB 4.3Å; N274-P284 WeakPolarHBondContact OD1-CA 3.49Å
285L94.6Very high90.5Very high4 Ų448.3 Ų48.32%0.02127%0.269CS..PPolyproline II helixtrans-74.3141.2169.8-64.5166.7000110.2H273 N274 S374 E375 I377 Y404H273-L285 HydrophobicContact CB-CD1 4.36Å; N274-L285 PolarHBondContact ND2-O 3.34Å; N274-L285 PolarHBondContact OD1-N 3.14Å; L285-S374 VanDerWaalsContact CD2-C 3.48Å; L285-S374 WeakPolarHBondContact CD2-O 3.3Å; L285-E375 WeakPolarHBondContact CA-O 3.34Å; L285-I377 HydrophobicContact CB-CB 4.13Å; L285-I377 HydrophobicContact CB-CG2 3.88Å; L285-I377 HydrophobicContact CD1-CB 4.1Å; L285-I377 HydrophobicContact CD1-CD1 4.21Å; L285-Y404 HydrophobicContact CD1-CD1 3.89Å; L285-Y404 HydrophobicContact CD1-CE1 3.87Å
286V85.8Confident90.5Very high89 Ų8945.1 Ų45.154%0.53925%0.254SS..EExtended strand (participates in β ladder)trans-101.2130.9173.5-177.50000109.7D288 E375 R376 I377V286-D288 PolarHBondContact O-N 3.28Å; V286-E375 PolarHBondContact N-O 2.79Å; V286-R376 CarbonylContact O-C 3.55Å; V286-R376 VanDerWaalsContact O-CA 3.25Å; V286-R376 WeakPolarHBondContact O-CA 3.35Å; V286-I377 PolarHBondContact O-N 3.22Å
287L87.9Confident90Very high52 Ų5248.9 Ų48.927%0.27227%0.272SS..EExtended strand (participates in β ladder)trans-64.9122.9175.6-174.362.3000110.3I266 V270 S292 I377 V379I266-L287 HydrophobicContact CG2-CD1 4.18Å; I266-L287 HydrophobicContact CG2-CD2 3.81Å; V270-L287 HydrophobicContact CG2-CB 4.27Å; V270-L287 HydrophobicContact CG2-CD1 3.86Å; V270-L287 HydrophobicContact CG2-CG 4.45Å; L287-S292 VanDerWaalsContact CD1-OG 3.24Å; L287-S292 WeakPolarHBondContact CD1-OG 3.24Å; L287-I377 CarbonylContact C-O 3.53Å; L287-I377 WeakPolarHBondContact CA-O 3.44Å; L287-I377 HydrophobicContact CD1-CG2 4.45Å; L287-V379 HydrophobicContact CD1-CG2 4.21Å
288D89.2Confident89.7Confident10 Ų1050 Ų505%0.05328%0.276CS..  trans-110117.9178.5-177-62000109.9V286 N290 L291 S292 Y315 R376 I377V286-D288 PolarHBondContact O-N 3.28Å; D288-N290 VanDerWaalsContact C-N 3.29Å; D288-N290 PolarHBondContact O-N 3.41Å; D288-N290 WeakPolarHBondContact OD1-CB 3.32Å; D288-N290 PolarHBondContact OD1-N 2.94Å; D288-L291 HydrophobicContact CB-CB 4.11Å; D288-L291 HydrophobicContact CB-CD1 4.02Å; D288-L291 HydrophobicContact CB-CG 4.2Å; D288-L291 PolarHBondContact O-N 2.82Å; D288-L291 PolarHBondContact OD1-N 2.84Å; D288-S292 PolarHBondContact O-N 3.29Å; D288-S292 PolarHBondContact O-OG 2.96Å; D288-Y315 VanDerWaalsContact CG-OH 3.28Å; D288-Y315 PolarHBondContact OD1-OH 2.9Å; D288-Y315 PolarHBondContact OD2-OH 2.87Å; D288-R376 HydrophobicContact CB-CB 4.13Å; D288-R376 HydrophobicContact CB-CG 4.49Å; D288-R376 IonicContact OD2-NH1 3.29Å; D288-R376 PolarHBondContact OD2-NH1 3.39Å; D288-I377 PolarHBondContact N-O 2.96Å
289Q80.9Confident89.6Confident114 Ų11446.4 Ų46.453%0.53325%0.252SS..Hα-helixtrans-62.7-33.5-174.1-169.860.351.300113.1S292 N293Q289-S292 PolarHBondContact O-N 2.7Å; Q289-N293 PolarHBondContact NE2-OD1 2.83Å; Q289-N293 WeakPolarHBondContact O-CB 3.33Å; Q289-N293 PolarHBondContact O-N 2.86Å; Q289-N293 PolarHBondContact O-ND2 3.49Å; Q289-N293 PolarHBondContact O-OD1 2.91Å
290N78.8Confident89.3Confident98 Ų9846.8 Ų46.852%0.52426%0.256SS..Hα-helixtrans-71-42.6178.4-70.2-40.1000110.7D288 S292 N293 M294 Y315D288-N290 VanDerWaalsContact C-N 3.29Å; D288-N290 PolarHBondContact O-N 3.41Å; D288-N290 WeakPolarHBondContact OD1-CB 3.32Å; D288-N290 PolarHBondContact OD1-N 2.94Å; N290-S292 VanDerWaalsContact C-N 3.34Å; N290-N293 PolarHBondContact O-N 3.24Å; N290-M294 VanDerWaalsContact O-CG 3.31Å; N290-M294 WeakPolarHBondContact O-CG 3.49Å; N290-M294 PolarHBondContact O-N 3.23Å; N290-Y315 HydrophobicContact CB-CE2 3.81Å
291L83.2Confident88.7Confident0 Ų048.5 Ų48.50%026%0.264CS..Hα-helixtrans-62.1-41.2171.8-72.4177.5000111.3D288 N293 M294 A295 Y315 V320 R376 L403 H405D288-L291 HydrophobicContact CB-CB 4.11Å; D288-L291 HydrophobicContact CB-CD1 4.02Å; D288-L291 HydrophobicContact CB-CG 4.2Å; D288-L291 PolarHBondContact O-N 2.82Å; D288-L291 PolarHBondContact OD1-N 2.84Å; L291-N293 PolarHBondContact O-N 2.81Å; L291-M294 HydrophobicContact CD2-SD 4.38Å; L291-M294 WeakPolarHBondContact O-CB 3.43Å; L291-M294 PolarHBondContact O-N 2.97Å; L291-A295 WeakPolarHBondContact O-CB 3.49Å; L291-A295 PolarHBondContact O-N 3.2Å; L291-Y315 HydrophobicContact CD1-CD1 4.01Å; L291-Y315 HydrophobicContact CD1-CE1 3.98Å; L291-Y315 HydrophobicContact CD2-CD1 3.51Å; L291-Y315 HydrophobicContact CD2-CD2 3.93Å; L291-Y315 HydrophobicContact CD2-CE1 4.06Å; L291-Y315 HydrophobicContact CD2-CE2 4.47Å; L291-Y315 HydrophobicContact CD2-CG 3.41Å; L291-Y315 VanDerWaalsContact CD2-CG 3.41Å; L291-Y315 HydrophobicContact CG-CD1 3.76Å; L291-Y315 HydrophobicContact CG-CD2 4.35Å; L291-Y315 HydrophobicContact CG-CE1 3.77Å; L291-Y315 HydrophobicContact CG-CE2 4.42Å; L291-Y315 HydrophobicContact CG-CG 4.05Å; L291-V320 HydrophobicContact CD2-CG1 3.74Å; L291-R376 HydrophobicContact CD1-CB 3.97Å; L291-L403 HydrophobicContact CD2-CB 4.3Å; L291-H405 HydrophobicContact CD1-CB 3.74Å
292S88Confident88.5Confident5 Ų546.9 Ų46.94%0.03525%0.247CC..Hα-helixtrans-63.5-40.2176.8-64.70000112.2L287 D288 Q289 N290 M294 A295 Q296 G378 V379L287-S292 VanDerWaalsContact CD1-OG 3.24Å; L287-S292 WeakPolarHBondContact CD1-OG 3.24Å; D288-S292 PolarHBondContact O-N 3.29Å; D288-S292 PolarHBondContact O-OG 2.96Å; Q289-S292 PolarHBondContact O-N 2.7Å; N290-S292 VanDerWaalsContact C-N 3.34Å; S292-M294 VanDerWaalsContact C-N 3.31Å; S292-M294 PolarHBondContact O-N 3.24Å; S292-A295 PolarHBondContact O-N 3.34Å; S292-Q296 WeakPolarHBondContact O-CB 3.49Å; S292-Q296 PolarHBondContact O-N 3.03Å; S292-G378 WeakPolarHBondContact OG-CA 3.42Å; S292-V379 PolarHBondContact OG-N 2.8Å; S292-V379 VanDerWaalsContact OG-N 3.11Å
293N81.9Confident88.2Confident72 Ų7247.6 Ų47.639%0.38525%0.25SS..Hα-helixtrans-63.1-38.6174.9-67.5-15.3000111.7Q289 N290 L291 Q297Q289-N293 PolarHBondContact NE2-OD1 2.83Å; Q289-N293 WeakPolarHBondContact O-CB 3.33Å; Q289-N293 PolarHBondContact O-N 2.86Å; Q289-N293 PolarHBondContact O-ND2 3.49Å; Q289-N293 PolarHBondContact O-OD1 2.91Å; N290-N293 PolarHBondContact O-N 3.24Å; L291-N293 PolarHBondContact O-N 2.81Å; N293-Q297 VanDerWaalsContact O-CG 3.3Å; N293-Q297 WeakPolarHBondContact O-CG 3Å; N293-Q297 PolarHBondContact O-N 2.88Å; N293-Q297 PolarHBondContact O-NE2 3.27Å; N293-Q297 VanDerWaalsContact O-NE2 3.15Å
294M88.7Confident88Confident36 Ų3648 Ų4818%0.17725%0.248CC..Hα-helixtrans-66.5-47.9173.9-68.2167.562.400110.8N290 L291 S292 Q296 Q297 W298 Y313 Y315 L403N290-M294 VanDerWaalsContact O-CG 3.31Å; N290-M294 WeakPolarHBondContact O-CG 3.49Å; N290-M294 PolarHBondContact O-N 3.23Å; L291-M294 HydrophobicContact CD2-SD 4.38Å; L291-M294 WeakPolarHBondContact O-CB 3.43Å; L291-M294 PolarHBondContact O-N 2.97Å; S292-M294 VanDerWaalsContact C-N 3.31Å; S292-M294 PolarHBondContact O-N 3.24Å; M294-Q296 VanDerWaalsContact C-N 3.33Å; M294-Q296 PolarHBondContact O-N 2.95Å; M294-Q297 PolarHBondContact O-N 3.05Å; M294-W298 PolarHBondContact O-N 2.86Å; M294-Y313 HydrophobicContact CB-CD2 3.97Å; M294-Y313 HydrophobicContact CB-CE2 3.96Å; M294-Y313 HydrophobicContact CE-CD2 3.86Å; M294-Y313 HydrophobicContact CE-CG 3.74Å; M294-Y313 VanDerWaalsContact O-CE2 3.25Å; M294-Y313 WeakPolarHBondContact O-CE2 3.27Å; M294-Y315 HydrophobicContact SD-CD2 4.04Å; M294-L403 HydrophobicContact CB-CD1 3.71Å
295A94.5Very high87.5Confident0 Ų045 Ų450%023%0.227CC..Hα-helixtrans-58.5-44.1178.600000111.6L291 S292 W298 A299 G380 V401 L403L291-A295 WeakPolarHBondContact O-CB 3.49Å; L291-A295 PolarHBondContact O-N 3.2Å; S292-A295 PolarHBondContact O-N 3.34Å; A295-W298 PolarHBondContact O-N 3.05Å; A295-A299 WeakPolarHBondContact O-CB 3.45Å; A295-A299 PolarHBondContact O-N 2.94Å; A295-G380 VanDerWaalsContact CB-N 3.35Å; A295-V401 HydrophobicContact CB-CB 4.25Å; A295-V401 HydrophobicContact CB-CG1 3.96Å; A295-L403 HydrophobicContact CB-CD1 3.95Å; A295-L403 HydrophobicContact CB-CG 3.83Å
296Q93.7Very high86.8Confident43 Ų4349 Ų4920%0.20126%0.255CS..Hα-helixtrans-63.8-45.7178.5-172.961.651.700111.7S292 M294 W298 A299 D300 I381S292-Q296 WeakPolarHBondContact O-CB 3.49Å; S292-Q296 PolarHBondContact O-N 3.03Å; M294-Q296 VanDerWaalsContact C-N 3.33Å; M294-Q296 PolarHBondContact O-N 2.95Å; Q296-W298 PolarHBondContact O-N 3.01Å; Q296-A299 WeakPolarHBondContact O-CB 3.32Å; Q296-A299 PolarHBondContact O-N 3.42Å; Q296-A299 VanDerWaalsContact O-N 3.13Å; Q296-D300 PolarHBondContact NE2-OD1 2.84Å; Q296-D300 VanDerWaalsContact O-CG 3.23Å; Q296-D300 PolarHBondContact O-N 3.3Å; Q296-I381 PolarHBondContact NE2-O 2.7Å; Q296-I381 PolarHBondContact OE1-O 3.46Å
297Q86.8Confident86.4Confident104 Ų10448 Ų4849%0.48624%0.244SC..Hα-helixtrans-57.3-37.6174.7-76171.459.900112N293 M294 H301N293-Q297 VanDerWaalsContact O-CG 3.3Å; N293-Q297 WeakPolarHBondContact O-CG 3Å; N293-Q297 PolarHBondContact O-N 2.88Å; N293-Q297 PolarHBondContact O-NE2 3.27Å; N293-Q297 VanDerWaalsContact O-NE2 3.15Å; M294-Q297 PolarHBondContact O-N 3.05Å; Q297-H301 WeakPolarHBondContact O-CB 3.44Å; Q297-H301 PolarHBondContact O-N 2.87Å; Q297-H301 VanDerWaalsContact O-N 3.1Å
298W92.8Very high86.3Confident22 Ų2248.2 Ų48.28%0.08325%0.245CC..Hα-helixtrans-74.3-38.2176.8-160.2-119.8000112.7M294 A295 Q296 D300 H301 L302 S309 N310 S311 Y313 V401M294-W298 PolarHBondContact O-N 2.86Å; A295-W298 PolarHBondContact O-N 3.05Å; Q296-W298 PolarHBondContact O-N 3.01Å; W298-D300 VanDerWaalsContact C-N 3.34Å; W298-D300 PolarHBondContact O-N 2.73Å; W298-H301 HydrophobicContact CE3-CB 4.19Å; W298-H301 AromaticContact CE3-CD2 3.94Å; W298-H301 AromaticContact CH2-CD2 3.55Å; W298-H301 AromaticContact CH2-NE2 3.93Å; W298-H301 HydrophobicContact CZ3-CB 4.47Å; W298-H301 AromaticContact CZ3-CD2 3.48Å; W298-H301 VanDerWaalsContact CZ3-CD2 3.48Å; W298-H301 WeakPolarHBondContact CZ3-CD2 3.31Å; W298-H301 WeakPolarHBondContact O-CB 3.32Å; W298-H301 PolarHBondContact O-N 2.86Å; W298-L302 VanDerWaalsContact CD1-CD1 3.47Å; W298-L302 HydrophobicContact CD2-CG 4.5Å; W298-L302 HydrophobicContact CG-CD1 4.32Å; W298-L302 HydrophobicContact CG-CG 4.38Å; W298-L302 HydrophobicContact CZ2-CD2 4.28Å; W298-L302 WeakPolarHBondContact O-CB 3.41Å; W298-L302 VanDerWaalsContact O-CG 3.3Å; W298-L302 WeakPolarHBondContact O-CG 3.36Å; W298-L302 PolarHBondContact O-N 3.45Å; W298-S309 WeakPolarHBondContact CZ2-O 3.26Å; W298-S309 PolarHBondContact NE1-O 3.21Å; W298-N310 WeakPolarHBondContact CZ2-O 3.2Å; W298-S311 VanDerWaalsContact CZ2-CA 3.46Å; W298-Y313 HydrophobicContact CB-CE2 3.84Å; W298-Y313 AromaticContact CE3-CZ 4Å; W298-Y313 HydrophobicContact CG-CE2 4.34Å; W298-V401 HydrophobicContact CB-CG1 4.39Å; W298-V401 HydrophobicContact CB-CG2 4.4Å
299A93.8Very high85.9Confident0 Ų049.5 Ų49.50%026%0.255CS..Hα-helixtrans-59.3-46.5174.500000110.9A295 Q296 H301 L302 L303 A382 I399 V401A295-A299 WeakPolarHBondContact O-CB 3.45Å; A295-A299 PolarHBondContact O-N 2.94Å; Q296-A299 WeakPolarHBondContact O-CB 3.32Å; Q296-A299 PolarHBondContact O-N 3.42Å; Q296-A299 VanDerWaalsContact O-N 3.13Å; A299-H301 VanDerWaalsContact C-N 3.33Å; A299-H301 PolarHBondContact O-N 3.03Å; A299-L302 PolarHBondContact O-N 3.45Å; A299-L303 WeakPolarHBondContact O-CB 3.36Å; A299-L303 PolarHBondContact O-N 2.8Å; A299-A382 HydrophobicContact CB-CB 3.76Å; A299-A382 WeakPolarHBondContact O-CB 3.33Å; A299-I399 HydrophobicContact CB-CB 4.48Å; A299-I399 HydrophobicContact CB-CG2 4.1Å; A299-V401 HydrophobicContact CB-CB 4.4Å; A299-V401 HydrophobicContact CB-CG2 3.78Å
300D90.2Very high86.1Confident79 Ų7948.5 Ų48.542%0.42225%0.254SS..Hα-helixtrans-62.2-40.6176.9-63.3-23.7000111.4Q296 W298 L303 A382Q296-D300 PolarHBondContact NE2-OD1 2.84Å; Q296-D300 VanDerWaalsContact O-CG 3.23Å; Q296-D300 PolarHBondContact O-N 3.3Å; W298-D300 VanDerWaalsContact C-N 3.34Å; W298-D300 PolarHBondContact O-N 2.73Å; D300-L303 WeakPolarHBondContact O-CB 3.25Å; D300-A382 WeakPolarHBondContact OD1-CB 3.45Å
301H84.1Confident86.3Confident40 Ų4044.3 Ų44.319%0.18523%0.232CC..Hα-helixtrans-62.8-51175.117972.9000111.7Q297 W298 A299 L303 Q304 Q305Q297-H301 WeakPolarHBondContact O-CB 3.44Å; Q297-H301 PolarHBondContact O-N 2.87Å; Q297-H301 VanDerWaalsContact O-N 3.1Å; W298-H301 HydrophobicContact CE3-CB 4.19Å; W298-H301 AromaticContact CE3-CD2 3.94Å; W298-H301 AromaticContact CH2-CD2 3.55Å; W298-H301 AromaticContact CH2-NE2 3.93Å; W298-H301 HydrophobicContact CZ3-CB 4.47Å; W298-H301 AromaticContact CZ3-CD2 3.48Å; W298-H301 VanDerWaalsContact CZ3-CD2 3.48Å; W298-H301 WeakPolarHBondContact CZ3-CD2 3.31Å; W298-H301 WeakPolarHBondContact O-CB 3.32Å; W298-H301 PolarHBondContact O-N 2.86Å; A299-H301 VanDerWaalsContact C-N 3.33Å; A299-H301 PolarHBondContact O-N 3.03Å; H301-L303 VanDerWaalsContact C-N 3.26Å; H301-L303 PolarHBondContact O-N 2.92Å; H301-Q304 PolarHBondContact O-N 3.34Å; H301-Q304 VanDerWaalsContact O-N 3.13Å; H301-Q305 WeakPolarHBondContact O-CG 3.45Å
302L88.1Confident86Confident0 Ų045.5 Ų45.50%024%0.244CC..Hα-helixtrans-64.7-28.7-178.9-74.9179.3000112.6W298 A299 Q304 Q305 L308 L324 K397 I399 V401W298-L302 VanDerWaalsContact CD1-CD1 3.47Å; W298-L302 HydrophobicContact CD2-CG 4.5Å; W298-L302 HydrophobicContact CG-CD1 4.32Å; W298-L302 HydrophobicContact CG-CG 4.38Å; W298-L302 HydrophobicContact CZ2-CD2 4.28Å; W298-L302 WeakPolarHBondContact O-CB 3.41Å; W298-L302 VanDerWaalsContact O-CG 3.3Å; W298-L302 WeakPolarHBondContact O-CG 3.36Å; W298-L302 PolarHBondContact O-N 3.45Å; A299-L302 PolarHBondContact O-N 3.45Å; L302-Q304 PolarHBondContact O-N 3.05Å; L302-Q305 HydrophobicContact CD2-CG 4.49Å; L302-Q305 PolarHBondContact O-N 3.14Å; L302-L308 HydrophobicContact CD1-CD2 3.93Å; L302-L324 HydrophobicContact CD1-CD1 4.17Å; L302-L324 HydrophobicContact CD1-CD2 3.9Å; L302-K397 PolarHBondContact O-NZ 3.1Å; L302-I399 HydrophobicContact CB-CD1 4.4Å; L302-I399 HydrophobicContact CB-CG1 4.06Å; L302-I399 HydrophobicContact CB-CG2 3.88Å; L302-I399 HydrophobicContact CD1-CG2 3.97Å; L302-V401 HydrophobicContact CD1-CG2 4.02Å
303L88.4Confident85.7Confident22 Ų2247.5 Ų47.512%0.11525%0.251CS..Hα-helixtrans-55.6-37.6174.1-170.469.2000110.7A299 D300 H301 A382 Q384 K397 I399A299-L303 WeakPolarHBondContact O-CB 3.36Å; A299-L303 PolarHBondContact O-N 2.8Å; D300-L303 WeakPolarHBondContact O-CB 3.25Å; H301-L303 VanDerWaalsContact C-N 3.26Å; H301-L303 PolarHBondContact O-N 2.92Å; L303-A382 HydrophobicContact CB-CB 4.07Å; L303-A382 HydrophobicContact CD1-CB 4.45Å; L303-A382 HydrophobicContact CD2-CB 4.08Å; L303-A382 HydrophobicContact CG-CB 4.45Å; L303-Q384 HydrophobicContact CD1-CB 4.06Å; L303-Q384 HydrophobicContact CD2-CB 4.11Å; L303-Q384 HydrophobicContact CG-CB 4.36Å; L303-K397 HydrophobicContact CD1-CB 4.07Å; L303-K397 HydrophobicContact CD1-CD 4.11Å; L303-K397 HydrophobicContact CD1-CG 4.1Å; L303-K397 VanDerWaalsContact CD1-O 3.31Å; L303-K397 WeakPolarHBondContact CD1-O 3.3Å; L303-K397 WeakPolarHBondContact O-CD 3.45Å; L303-K397 PolarHBondContact O-NZ 2.99Å; L303-I399 HydrophobicContact CB-CG1 4.36Å; L303-I399 HydrophobicContact CD1-CG1 4.35Å
304Q86.5Confident85.2Confident132 Ų13246.3 Ų46.362%0.61725%0.246SC*.THydrogen-bonded Turntrans-83.9-3.2178.5-55.1-57.6-48.100114.5H301 L302H301-Q304 PolarHBondContact O-N 3.34Å; H301-Q304 VanDerWaalsContact O-N 3.13Å; L302-Q304 PolarHBondContact O-N 3.05Å
305Q80Confident84.3Confident23 Ų2345.7 Ų45.711%0.10724%0.242CC..SBendtrans-97.9149.7-177.9-60-46-5700112.5H301 L302 H307 K397H301-Q305 WeakPolarHBondContact O-CG 3.45Å; L302-Q305 HydrophobicContact CD2-CG 4.49Å; L302-Q305 PolarHBondContact O-N 3.14Å; Q305-H307 WeakPolarHBondContact CB-O 3.41Å; Q305-H307 PolarHBondContact O-N 2.96Å; Q305-K397 PolarHBondContact O-NZ 3.21Å
306S79.2Confident83.5Confident88 Ų8852.6 Ų52.662%0.61527%0.268SS*.SBendtrans-74.1-9.2174.553.90000114.5R142R142-S306 PolarHBondContact NH2-OG 3.07Å
307H77.4Confident82.3Confident67 Ų6751.7 Ų51.731%0.3127%0.27SS..SBendtrans-150.5159.3-175.869.3-38.2000110.5R142 Q305R142-H307 VanDerWaalsContact CZ-NE2 3.25Å; R142-H307 PolarHBondContact NE-CE1 3.29Å; R142-H307 PolarHBondContact NE-NE2 3.33Å; R142-H307 PolarHBondContact NH1-CE1 3.02Å; R142-H307 PolarHBondContact NH1-ND1 3.47Å; R142-H307 PolarHBondContact NH2-CE1 2.95Å; R142-H307 VanDerWaalsContact NH2-CE1 3.27Å; R142-H307 PolarHBondContact NH2-ND1 3.03Å; Q305-H307 WeakPolarHBondContact CB-O 3.41Å; Q305-H307 PolarHBondContact O-N 2.96Å
308L85.7Confident81.5Confident58 Ų5850.7 Ų50.730%0.30427%0.267SS..  trans-76142.1168.9-64177.5000110.1L302 L324 I399L302-L308 HydrophobicContact CD1-CD2 3.93Å; L308-L324 HydrophobicContact CB-CB 4.49Å; L308-L324 HydrophobicContact CB-CD1 4.36Å; L308-L324 HydrophobicContact CD1-CB 4.05Å; L308-L324 HydrophobicContact CD2-CB 4.37Å; L308-I399 HydrophobicContact CD2-CD1 3.77Å
309S81.6Confident80.8Confident37 Ų3754.7 Ų54.726%0.25929%0.285SS..  trans-148.6148.617262.20000109.5W298 L324W298-S309 WeakPolarHBondContact CZ2-O 3.26Å; W298-S309 PolarHBondContact NE1-O 3.21Å; S309-L324 WeakPolarHBondContact O-CD1 3.41Å
310N84.2Confident80.5Confident93 Ų9355 Ų5550%0.49729%0.287SS..  trans-70.9145.2-176.9-67.646.5000112.5W298 G312 E322W298-N310 WeakPolarHBondContact CZ2-O 3.2Å; N310-G312 VanDerWaalsContact C-N 3.3Å; N310-G312 PolarHBondContact O-N 3.32Å; N310-E322 WeakPolarHBondContact CA-OE1 3.46Å; N310-E322 WeakPolarHBondContact CB-OE1 3.35Å; N310-E322 VanDerWaalsContact CG-OE1 3.22Å; N310-E322 PolarHBondContact ND2-OE1 2.83Å
311S83.6Confident80.6Confident9 Ų951.6 Ų51.66%0.06327%0.27CS..  trans-65.5-31.7-177.162.60000114.2W298 Y313 E322W298-S311 VanDerWaalsContact CZ2-CA 3.46Å; S311-Y313 PolarHBondContact O-N 3.03Å; S311-Y313 WeakPolarHBondContact OG-CB 3.33Å; S311-Y313 VanDerWaalsContact OG-CD2 3.29Å; S311-Y313 WeakPolarHBondContact OG-CD2 3.49Å; S311-Y313 PolarHBondContact OG-N 2.89Å; S311-E322 WeakPolarHBondContact CB-OE2 3.19Å; S311-E322 PolarHBondContact N-OE1 2.85Å; S311-E322 PolarHBondContact N-OE2 3.43Å; S311-E322 PolarHBondContact OG-OE2 3.35Å
312G76.5Confident81.2Confident25 Ų2550.7 Ų50.726%0.25827%0.266SS..  trans6715.3-168.800000113.3N310N310-G312 VanDerWaalsContact C-N 3.3Å; N310-G312 PolarHBondContact O-N 3.32Å
313Y81.5Confident81.7Confident48 Ų4850.8 Ų50.819%0.18827%0.266CS..  trans-64.1151-178.3-73.1-24.3000113.4M294 W298 S311 K319 V320 L403M294-Y313 HydrophobicContact CB-CD2 3.97Å; M294-Y313 HydrophobicContact CB-CE2 3.96Å; M294-Y313 HydrophobicContact CE-CD2 3.86Å; M294-Y313 HydrophobicContact CE-CG 3.74Å; M294-Y313 VanDerWaalsContact O-CE2 3.25Å; M294-Y313 WeakPolarHBondContact O-CE2 3.27Å; W298-Y313 HydrophobicContact CB-CE2 3.84Å; W298-Y313 AromaticContact CE3-CZ 4Å; W298-Y313 HydrophobicContact CG-CE2 4.34Å; S311-Y313 PolarHBondContact O-N 3.03Å; S311-Y313 WeakPolarHBondContact OG-CB 3.33Å; S311-Y313 VanDerWaalsContact OG-CD2 3.29Å; S311-Y313 WeakPolarHBondContact OG-CD2 3.49Å; S311-Y313 PolarHBondContact OG-N 2.89Å; Y313-K319 WeakPolarHBondContact O-CA 3.35Å; Y313-V320 PolarHBondContact O-N 3.3Å; Y313-V320 VanDerWaalsContact O-N 3.16Å; Y313-L403 HydrophobicContact CD2-CD1 3.86Å; Y313-L403 HydrophobicContact CE2-CD1 4.46Å
314V72Confident82Confident47 Ų4750.7 Ų50.729%0.28527%0.266SS..EExtended strand (participates in β ladder)trans-121.1133.1172.6170.50000108.7M318V314-M318 CarbonylContact C-O 3.42Å; V314-M318 VanDerWaalsContact CA-O 3.27Å; V314-M318 WeakPolarHBondContact CA-O 3.35Å; V314-M318 WeakPolarHBondContact CG1-O 3.22Å
315Y69.3Low82.4Confident23 Ų2344.5 Ų44.59%0.0924%0.238CC..EExtended strand (participates in β ladder)trans-130.7127.3174.3-176.9-113.2000108.6D288 N290 L291 M294 G317 M318 V320 H405D288-Y315 VanDerWaalsContact CG-OH 3.28Å; D288-Y315 PolarHBondContact OD1-OH 2.9Å; D288-Y315 PolarHBondContact OD2-OH 2.87Å; N290-Y315 HydrophobicContact CB-CE2 3.81Å; L291-Y315 HydrophobicContact CD1-CD1 4.01Å; L291-Y315 HydrophobicContact CD1-CE1 3.98Å; L291-Y315 HydrophobicContact CD2-CD1 3.51Å; L291-Y315 HydrophobicContact CD2-CD2 3.93Å; L291-Y315 HydrophobicContact CD2-CE1 4.06Å; L291-Y315 HydrophobicContact CD2-CE2 4.47Å; L291-Y315 HydrophobicContact CD2-CG 3.41Å; L291-Y315 VanDerWaalsContact CD2-CG 3.41Å; L291-Y315 HydrophobicContact CG-CD1 3.76Å; L291-Y315 HydrophobicContact CG-CD2 4.35Å; L291-Y315 HydrophobicContact CG-CE1 3.77Å; L291-Y315 HydrophobicContact CG-CE2 4.42Å; L291-Y315 HydrophobicContact CG-CG 4.05Å; M294-Y315 HydrophobicContact SD-CD2 4.04Å; Y315-G317 VanDerWaalsContact C-N 3.33Å; Y315-G317 PolarHBondContact O-N 2.87Å; Y315-M318 PolarHBondContact N-O 2.82Å; Y315-M318 PolarHBondContact O-N 3.47Å; Y315-M318 VanDerWaalsContact O-O 3.08Å; Y315-V320 VanDerWaalsContact CB-CG1 3.48Å; Y315-H405 HydrophobicContact CD1-CB 3.92Å; Y315-H405 AromaticContact CD1-CD2 3.83Å; Y315-H405 AromaticContact CD1-CG 3.63Å; Y315-H405 AromaticContact CD1-ND1 3.95Å; Y315-H405 HydrophobicContact CE1-CB 4.43Å; Y315-H405 PolarHBondContact O-CE1 2.85Å
316R78.7Confident82.9Confident145 Ų14545.3 Ų45.355%0.54725%0.246SC..THydrogen-bonded Turntrans50.848.9-177-57.8179.1178.5-157.8-1.9113.1M318R316-M318 PolarHBondContact O-N 3.22Å; R316-M318 VanDerWaalsContact O-N 3.12Å
317G67.2Low83.1Confident24 Ų2445.4 Ų45.425%0.24723%0.233CC..THydrogen-bonded Turntrans81.1-19.1176.500000115.5E178 Y315E178-G317 WeakPolarHBondContact OE1-CA 3.14Å; Y315-G317 VanDerWaalsContact C-N 3.33Å; Y315-G317 PolarHBondContact O-N 2.87Å
318M70.2Confident83.3Confident83 Ų8348.3 Ų48.341%0.40924%0.241SC..EExtended strand (participates in β ladder)trans-105.2144.8-177-58.6178.474.100112V314 Y315 R316 V320 P406 P407V314-M318 CarbonylContact C-O 3.42Å; V314-M318 VanDerWaalsContact CA-O 3.27Å; V314-M318 WeakPolarHBondContact CA-O 3.35Å; V314-M318 WeakPolarHBondContact CG1-O 3.22Å; Y315-M318 PolarHBondContact N-O 2.82Å; Y315-M318 PolarHBondContact O-N 3.47Å; Y315-M318 VanDerWaalsContact O-O 3.08Å; R316-M318 PolarHBondContact O-N 3.22Å; R316-M318 VanDerWaalsContact O-N 3.12Å; M318-V320 PolarHBondContact O-N 3.21Å; M318-P406 HydrophobicContact CE-CB 4.32Å; M318-P407 HydrophobicContact CE-CG 3.98Å
319K78.7Confident82.7Confident105 Ų10547.5 Ų47.546%0.45724%0.24SC..EExtended strand (participates in β ladder)trans-58.1135.9165.2-173.2-179.4176.8-177.10108.5Y313 P407Y313-K319 WeakPolarHBondContact O-CA 3.35Å; K319-P407 WeakPolarHBondContact O-CB 3.45Å; K319-P407 WeakPolarHBondContact O-CD 3.46Å; K319-P407 WeakPolarHBondContact O-CG 3.39Å
320V86.5Confident82.1Confident8 Ų852.6 Ų52.65%0.04826%0.264CS..PPolyproline II helixtrans-74.1147.5175.2-63.60000110.4L291 Y313 Y315 M318 L403L291-V320 HydrophobicContact CD2-CG1 3.74Å; Y313-V320 PolarHBondContact O-N 3.3Å; Y313-V320 VanDerWaalsContact O-N 3.16Å; Y315-V320 VanDerWaalsContact CB-CG1 3.48Å; M318-V320 PolarHBondContact O-N 3.21Å; V320-L403 HydrophobicContact CB-CB 4.37Å; V320-L403 HydrophobicContact CG2-CB 4.34Å; V320-L403 HydrophobicContact CG2-CD1 4.36Å; V320-L403 HydrophobicContact CG2-CD2 3.85Å; V320-L403 HydrophobicContact CG2-CG 4.4Å
321G93.9Very high81.4Confident6 Ų648.9 Ų48.96%0.06225%0.248CC..EExtended strand (participates in β ladder)trans-67.7152.5160.800000108.5Q368 L403 Y404G321-Q368 VanDerWaalsContact CA-OE1 3.24Å; G321-L403 CarbonylContact O-C 3.51Å; G321-L403 VanDerWaalsContact O-CA 3.3Å; G321-L403 WeakPolarHBondContact O-CA 3.13Å; G321-Y404 PolarHBondContact N-O 3.39Å; G321-Y404 PolarHBondContact O-N 2.05Å
322E95.8Very high81Confident22 Ų2252.4 Ų52.410%0.10327%0.271CS..EExtended strand (participates in β ladder)trans-151.2129.6-175.6-174175.779.200112.3N310 S311 L324 C402 L403N310-E322 WeakPolarHBondContact CA-OE1 3.46Å; N310-E322 WeakPolarHBondContact CB-OE1 3.35Å; N310-E322 VanDerWaalsContact CG-OE1 3.22Å; N310-E322 PolarHBondContact ND2-OE1 2.83Å; S311-E322 WeakPolarHBondContact CB-OE2 3.19Å; S311-E322 PolarHBondContact N-OE1 2.85Å; S311-E322 PolarHBondContact N-OE2 3.43Å; S311-E322 PolarHBondContact OG-OE2 3.35Å; E322-L324 HydrophobicContact CG-CD2 3.67Å; E322-L324 HydrophobicContact CG-CG 3.9Å; E322-C402 VanDerWaalsContact CA-O 3.3Å; E322-C402 WeakPolarHBondContact CA-O 3.37Å; E322-L403 HydrophobicContact CB-CD2 4.08Å; E322-L403 HydrophobicContact CG-CD2 3.72Å; E322-L403 VanDerWaalsContact OE2-CD2 3.29Å; E322-L403 WeakPolarHBondContact OE2-CD2 3.43Å
323N98Very high81Confident1 Ų152.4 Ų52.41%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-115134.2165-72.43.3000108.8W344 N365 Q368 C402 Y404N323-W344 HydrophobicContact CB-CD2 4.21Å; N323-W344 HydrophobicContact CB-CE3 3.98Å; N323-W344 HydrophobicContact CB-CH2 3.59Å; N323-W344 HydrophobicContact CB-CZ2 3.84Å; N323-W344 HydrophobicContact CB-CZ3 3.66Å; N323-N365 WeakPolarHBondContact ND2-CA 3.44Å; N323-N365 PolarHBondContact ND2-O 2.95Å; N323-Q368 WeakPolarHBondContact OD1-CB 3.23Å; N323-Q368 WeakPolarHBondContact OD1-CG 3.43Å; N323-C402 HydrophobicContact CB-CB 4.4Å; N323-C402 PolarHBondContact N-O 3.24Å; N323-C402 PolarHBondContact O-N 2.8Å; N323-Y404 HydrophobicContact CB-CE2 4.01Å; N323-Y404 PolarHBondContact ND2-OH 2.88Å
324L96Very high81Confident20 Ų2058.3 Ų58.311%0.10529%0.294CS..EExtended strand (participates in β ladder)trans-123.8134.1-179-57.7179.3000109.9L302 L308 S309 E322 W344 V401L302-L324 HydrophobicContact CD1-CD1 4.17Å; L302-L324 HydrophobicContact CD1-CD2 3.9Å; L308-L324 HydrophobicContact CB-CB 4.49Å; L308-L324 HydrophobicContact CB-CD1 4.36Å; L308-L324 HydrophobicContact CD1-CB 4.05Å; L308-L324 HydrophobicContact CD2-CB 4.37Å; S309-L324 WeakPolarHBondContact O-CD1 3.41Å; E322-L324 HydrophobicContact CG-CD2 3.67Å; E322-L324 HydrophobicContact CG-CG 3.9Å; L324-W344 VanDerWaalsContact C-CZ2 3.45Å; L324-V401 HydrophobicContact CD2-CB 4.15Å; L324-V401 HydrophobicContact CD2-CG1 3.82Å; L324-V401 HydrophobicContact CD2-CG2 3.73Å
325G93.6Very high81.6Confident3 Ų358.5 Ų58.53%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-137.8139.9-176.900000109.5I399 L400G325-I399 WeakPolarHBondContact O-CA 3.23Å; G325-L400 PolarHBondContact N-O 3.29Å; G325-L400 PolarHBondContact O-N 3.01Å
326S90.6Very high82.3Confident39 Ų3960 Ų6027%0.27330%0.302SS..EExtended strand (participates in β ladder)trans-134.6142.3174.962.40000111.5M398S326-M398 CarbonylContact C-O 3.51Å; S326-M398 WeakPolarHBondContact CA-O 3.48Å
327R84.2Confident83Confident91 Ų9153.5 Ų53.534%0.34328%0.279SS..EExtended strand (participates in β ladder)trans-121.3145.2165-68-175.768.5155.25.4109.8M333 D339 L340 K397 M398R327-M333 HydrophobicContact CB-SD 3.95Å; R327-D339 IonicContact CZ-OD2 3.6Å; R327-D339 IonicContact NH1-OD2 3.47Å; R327-D339 PolarHBondContact NH1-OD2 3.45Å; R327-D339 IonicContact NH2-OD2 3.28Å; R327-L340 HydrophobicContact CG-CD1 4.31Å; R327-L340 HydrophobicContact CG-CD2 3.92Å; R327-L340 HydrophobicContact CG-CG 4.06Å; R327-K397 WeakPolarHBondContact O-CA 3.3Å; R327-M398 HydrophobicContact CB-CB 4.49Å; R327-M398 HydrophobicContact CB-CE 4.48Å; R327-M398 HydrophobicContact CG-CE 4.2Å; R327-M398 PolarHBondContact N-O 3.33Å; R327-M398 PolarHBondContact O-N 3.01Å
328W82.2Confident84.1Confident128 Ų12857.5 Ų57.549%0.48529%0.29SS..EExtended strand (participates in β ladder)trans-125.2147.9176.2-59.583.2000108.9D395 S396 K397W328-D395 HydrophobicContact CE3-CB 3.96Å; W328-D395 HydrophobicContact CZ3-CB 4.42Å; W328-S396 CarbonylContact C-O 3.57Å; W328-S396 VanDerWaalsContact CA-O 3.26Å; W328-S396 WeakPolarHBondContact CA-O 3.33Å; W328-K397 HydrophobicContact CD2-CB 4.4Å; W328-K397 HydrophobicContact CD2-CD 4.33Å; W328-K397 HydrophobicContact CD2-CG 3.96Å; W328-K397 HydrophobicContact CE3-CB 3.97Å; W328-K397 HydrophobicContact CE3-CD 4.08Å; W328-K397 HydrophobicContact CE3-CG 3.92Å; W328-K397 HydrophobicContact CH2-CD 3.39Å; W328-K397 HydrophobicContact CH2-CG 4.09Å; W328-K397 HydrophobicContact CZ2-CD 3.61Å; W328-K397 HydrophobicContact CZ2-CG 4.08Å; W328-K397 HydrophobicContact CZ3-CB 4.13Å; W328-K397 HydrophobicContact CZ3-CD 3.62Å; W328-K397 HydrophobicContact CZ3-CG 3.99Å
329S72.1Confident84.9Confident41 Ų4156.8 Ų56.829%0.28729%0.287SS..EExtended strand (participates in β ladder)trans-151140.8176.81780000110.2G331 S396S329-G331 PolarHBondContact O-N 3.14Å; S329-G331 PolarHBondContact OG-N 3.46Å; S329-G331 PolarHBondContact OG-O 3.39Å; S329-S396 PolarHBondContact N-O 2.96Å; S329-S396 WeakPolarHBondContact O-CB 3.47Å; S329-S396 PolarHBondContact O-N 3.28Å
330N69.3Low85.6Confident144 Ų14452.6 Ų52.677%0.7727%0.27SS*.SBendtrans-80.57174.7-59.7-1.1000112.4
331G69.2Low86.1Confident15 Ų1552.2 Ų52.216%0.15527%0.268CS..SBendtrans-143.5-169.3178.600000111.6S329 M333 Y386 S396S329-G331 PolarHBondContact O-N 3.14Å; S329-G331 PolarHBondContact OG-N 3.46Å; S329-G331 PolarHBondContact OG-O 3.39Å; G331-M333 PolarHBondContact O-N 2.87Å; G331-Y386 CarbonylContact C-O 3.45Å; G331-S396 WeakPolarHBondContact O-CB 3.34Å; G331-S396 PolarHBondContact O-OG 2.98Å
332P76Confident86.1Confident83 Ų8354.8 Ų54.854%0.53928%0.278SS..  trans-53141.7177.1-24.533.2000111.4S385 Y386P332-S385 WeakPolarHBondContact CA-OG 3.05Å; P332-Y386 WeakPolarHBondContact CA-O 3.31Å
333M76.9Confident85.9Confident24 Ų2459.3 Ų59.312%0.11830%0.299CS..  trans-123.8130.1178.3178.9160.547.500111R327 G331 I383 S385 M398R327-M333 HydrophobicContact CB-SD 3.95Å; G331-M333 PolarHBondContact O-N 2.87Å; M333-I383 HydrophobicContact CE-CD1 4.43Å; M333-I383 HydrophobicContact CE-CG1 4.22Å; M333-I383 HydrophobicContact CG-CD1 4.14Å; M333-S385 PolarHBondContact N-OG 3.44Å; M333-M398 HydrophobicContact CE-CB 3.57Å; M333-M398 HydrophobicContact SD-CB 3.78Å
334E81.2Confident85.9Confident173 Ų17359.5 Ų59.581%0.80830%0.3SS*.  trans-86.5151.1170.8-61-166.8153.900111.3N336E334-N336 PolarHBondContact O-N 3.2Å
335L84.8Confident85.9Confident50 Ų5060 Ų6026%0.26230%0.3SS..  trans-72.497.6174.5176.554.8000109.7L262 S265 I381 I383 M398L262-L335 HydrophobicContact CD1-CD2 4.49Å; S265-L335 WeakPolarHBondContact OG-CD2 3.34Å; S265-L335 WeakPolarHBondContact OG-CG 3.43Å; L335-I381 HydrophobicContact CD1-CG2 3.49Å; L335-I381 VanDerWaalsContact CD1-CG2 3.49Å; L335-I383 HydrophobicContact CB-CD1 4.37Å; L335-M398 HydrophobicContact CD1-SD 3.83Å
336N84Confident86Confident55 Ų5566 Ų6629%0.29433%0.327SS..  trans-131.495.5175.3179.93000111.2E334 K338 D339 M398E334-N336 PolarHBondContact O-N 3.2Å; N336-K338 WeakPolarHBondContact OD1-CB 3.45Å; N336-K338 PolarHBondContact OD1-N 3.21Å; N336-D339 PolarHBondContact ND2-OD1 3.39Å; N336-D339 PolarHBondContact ND2-OD2 3Å; N336-D339 VanDerWaalsContact ND2-OD2 3.09Å; N336-M398 VanDerWaalsContact O-CE 3.31Å; N336-M398 WeakPolarHBondContact O-CE 3.3Å
337C92.3Very high86.2Confident9 Ų965 Ų656%0.06132%0.318CS..  trans-82.4-16.4175.4-66.70000113.6V269 D339 L340 I341 I381 L400V269-C337 HydrophobicContact CG2-CB 3.62Å; C337-D339 PolarHBondContact O-N 3.32Å; C337-L340 PolarHBondContact O-N 3.32Å; C337-I341 HydrophobicContact CB-CD1 4.44Å; C337-I341 WeakPolarHBondContact O-CG1 3.31Å; C337-I341 PolarHBondContact O-N 3.11Å; C337-I381 VanDerWaalsContact SG-CD1 3.56Å; C337-L400 HydrophobicContact CB-CD2 4.15Å
338K91.1Very high86.8Confident108 Ų10862.1 Ų62.147%0.4731%0.312SS..Hα-helixtrans-61.1-48.5-175.7176.6177.3170-176.80111.1L272 N336 L340 I341 E342L272-K338 HydrophobicContact CD2-CB 4.39Å; L272-K338 HydrophobicContact CD2-CG 4Å; N336-K338 WeakPolarHBondContact OD1-CB 3.45Å; N336-K338 PolarHBondContact OD1-N 3.21Å; K338-L340 VanDerWaalsContact C-N 3.27Å; K338-L340 PolarHBondContact O-N 3.26Å; K338-I341 PolarHBondContact O-N 3.11Å; K338-I341 VanDerWaalsContact O-N 3.13Å; K338-E342 WeakPolarHBondContact CE-OE1 3.16Å; K338-E342 HydrophobicContact CG-CG 4.32Å; K338-E342 IonicContact NZ-OE1 3.7Å; K338-E342 WeakPolarHBondContact O-CB 3.33Å; K338-E342 WeakPolarHBondContact O-CG 3.47Å; K338-E342 PolarHBondContact O-N 2.81Å
339D87.3Confident87.4Confident67 Ų6759.6 Ų59.636%0.35833%0.326SS..Hα-helixtrans-59.8-36.4-179.8-60.26.9000112.5R327 N336 C337 H343R327-D339 IonicContact CZ-OD2 3.6Å; R327-D339 IonicContact NH1-OD2 3.47Å; R327-D339 PolarHBondContact NH1-OD2 3.45Å; R327-D339 IonicContact NH2-OD2 3.28Å; N336-D339 PolarHBondContact ND2-OD1 3.39Å; N336-D339 PolarHBondContact ND2-OD2 3Å; N336-D339 VanDerWaalsContact ND2-OD2 3.09Å; C337-D339 PolarHBondContact O-N 3.32Å; D339-H343 WeakPolarHBondContact O-CB 3.31Å; D339-H343 PolarHBondContact O-N 3.1Å
340L92.7Very high88.4Confident17 Ų1765 Ų659%0.08934%0.344CS..Hα-helixtrans-67.2-43.2177-77.8176.9000111.7R327 C337 K338 H343 W344 M398 L400R327-L340 HydrophobicContact CG-CD1 4.31Å; R327-L340 HydrophobicContact CG-CD2 3.92Å; R327-L340 HydrophobicContact CG-CG 4.06Å; C337-L340 PolarHBondContact O-N 3.32Å; K338-L340 VanDerWaalsContact C-N 3.27Å; K338-L340 PolarHBondContact O-N 3.26Å; L340-H343 PolarHBondContact O-N 3.34Å; L340-W344 VanDerWaalsContact O-CG 3.27Å; L340-W344 PolarHBondContact O-N 3.49Å; L340-M398 HydrophobicContact CD1-CE 3.41Å; L340-M398 VanDerWaalsContact CD1-CE 3.41Å; L340-M398 HydrophobicContact CG-CE 4.22Å; L340-L400 HydrophobicContact CB-CD2 4.28Å; L340-L400 HydrophobicContact CD1-CB 3.86Å; L340-L400 HydrophobicContact CD1-CD2 4.34Å
341I96.3Very high89.6Confident1 Ų158.7 Ų58.71%0.00531%0.31CS..Hα-helixtrans-72.2-37.6-179.3-59.5162.4000110.4V269 L272 Y276 C337 K338 H343 W344 Y345 I369 L400V269-I341 HydrophobicContact CB-CD1 3.89Å; V269-I341 HydrophobicContact CG1-CD1 3.73Å; V269-I341 HydrophobicContact CG2-CD1 3.7Å; L272-I341 HydrophobicContact CB-CG2 4.47Å; L272-I341 HydrophobicContact CD2-CB 3.69Å; L272-I341 HydrophobicContact CD2-CD1 4.04Å; L272-I341 HydrophobicContact CD2-CG1 4.49Å; L272-I341 HydrophobicContact CD2-CG2 3.68Å; L272-I341 HydrophobicContact CG-CB 4.41Å; L272-I341 HydrophobicContact CG-CG2 3.84Å; Y276-I341 HydrophobicContact CD2-CG2 4.27Å; Y276-I341 HydrophobicContact CE2-CG2 4.01Å; C337-I341 HydrophobicContact CB-CD1 4.44Å; C337-I341 WeakPolarHBondContact O-CG1 3.31Å; C337-I341 PolarHBondContact O-N 3.11Å; K338-I341 PolarHBondContact O-N 3.11Å; K338-I341 VanDerWaalsContact O-N 3.13Å; I341-H343 VanDerWaalsContact C-N 3.34Å; I341-W344 HydrophobicContact CB-CE3 4.5Å; I341-W344 HydrophobicContact CG1-CE3 4.16Å; I341-W344 HydrophobicContact CG1-CZ3 4.19Å; I341-W344 WeakPolarHBondContact O-CB 3.38Å; I341-W344 PolarHBondContact O-N 2.69Å; I341-Y345 WeakPolarHBondContact O-CB 3.36Å; I341-Y345 PolarHBondContact O-N 2.94Å; I341-I369 HydrophobicContact CG2-CD1 4.46Å; I341-L400 HydrophobicContact CD1-CD2 4.29Å; I341-L400 HydrophobicContact CG1-CD2 3.93Å
342E93.8Very high90.7Very high60 Ų6065.8 Ų65.828%0.2834%0.336SS..Hα-helixtrans-59.6-44.6171.1-79.7-178.9176.200111.1Y276 K338 W344 Y345 Q346Y276-E342 VanDerWaalsContact OH-CG 3.31Å; Y276-E342 WeakPolarHBondContact OH-CG 3.47Å; K338-E342 WeakPolarHBondContact CE-OE1 3.16Å; K338-E342 HydrophobicContact CG-CG 4.32Å; K338-E342 IonicContact NZ-OE1 3.7Å; K338-E342 WeakPolarHBondContact O-CB 3.33Å; K338-E342 WeakPolarHBondContact O-CG 3.47Å; K338-E342 PolarHBondContact O-N 2.81Å; E342-W344 PolarHBondContact O-N 3.45Å; E342-Y345 PolarHBondContact O-N 3.46Å; E342-Q346 VanDerWaalsContact O-CG 3.26Å; E342-Q346 WeakPolarHBondContact O-CG 3.28Å; E342-Q346 PolarHBondContact O-N 3.35Å
343H92.3Very high91.6Very high116 Ų11664.5 Ų64.554%0.53732%0.322SS..Hα-helixtrans-61.7-43.5175.6-173.770000112.4D339 L340 I341 Y345 Q346D339-H343 WeakPolarHBondContact O-CB 3.31Å; D339-H343 PolarHBondContact O-N 3.1Å; L340-H343 PolarHBondContact O-N 3.34Å; I341-H343 VanDerWaalsContact C-N 3.34Å; H343-Y345 VanDerWaalsContact C-N 3.33Å; H343-Y345 PolarHBondContact O-N 3.25Å; H343-Q346 PolarHBondContact O-N 2.85Å
344W97.1Very high92.2Very high6 Ų668.4 Ų68.42%0.02334%0.344CS..Hα-helixtrans-59.5-42.7172.9-67.8-16.9000112.2N323 L324 L340 I341 E342 E347 N365 F366 I369 L400 C402N323-W344 HydrophobicContact CB-CD2 4.21Å; N323-W344 HydrophobicContact CB-CE3 3.98Å; N323-W344 HydrophobicContact CB-CH2 3.59Å; N323-W344 HydrophobicContact CB-CZ2 3.84Å; N323-W344 HydrophobicContact CB-CZ3 3.66Å; L324-W344 VanDerWaalsContact C-CZ2 3.45Å; L340-W344 VanDerWaalsContact O-CG 3.27Å; L340-W344 PolarHBondContact O-N 3.49Å; I341-W344 HydrophobicContact CB-CE3 4.5Å; I341-W344 HydrophobicContact CG1-CE3 4.16Å; I341-W344 HydrophobicContact CG1-CZ3 4.19Å; I341-W344 WeakPolarHBondContact O-CB 3.38Å; I341-W344 PolarHBondContact O-N 2.69Å; E342-W344 PolarHBondContact O-N 3.45Å; W344-E347 VanDerWaalsContact O-CB 3.31Å; W344-E347 WeakPolarHBondContact O-CB 3.48Å; W344-E347 WeakPolarHBondContact O-CG 3.41Å; W344-E347 PolarHBondContact O-N 3.4Å; W344-N365 HydrophobicContact CB-CB 3.58Å; W344-N365 HydrophobicContact CD2-CB 4.21Å; W344-N365 HydrophobicContact CG-CB 3.53Å; W344-F366 WeakPolarHBondContact O-CB 3.44Å; W344-F366 PolarHBondContact O-N 3.09Å; W344-I369 HydrophobicContact CB-CD1 3.61Å; W344-I369 HydrophobicContact CE3-CD1 4.17Å; W344-L400 HydrophobicContact CH2-CD2 3.6Å; W344-L400 HydrophobicContact CH2-CG 3.85Å; W344-L400 HydrophobicContact CZ2-CD2 4.27Å; W344-L400 HydrophobicContact CZ3-CD2 3.96Å; W344-C402 HydrophobicContact CH2-CB 4.42Å; W344-C402 HydrophobicContact CZ3-CB 4.31Å
345Y97.1Very high92.6Very high31 Ų3162.1 Ų62.112%0.12232%0.319CS..Hα-helixtrans-70.6-32.8-179.8-174.3-103.7000113.1Y276 Q279 H280 I341 E342 H343 E347 S348 F366 V370Y276-Y345 AromaticContact CD1-CD1 3.56Å; Y276-Y345 HydrophobicContact CD1-CD1 3.56Å; Y276-Y345 AromaticContact CD1-CD2 3.49Å; Y276-Y345 HydrophobicContact CD1-CD2 3.49Å; Y276-Y345 VanDerWaalsContact CD1-CD2 3.49Å; Y276-Y345 AromaticContact CD1-CE1 3.45Å; Y276-Y345 HydrophobicContact CD1-CE1 3.45Å; Y276-Y345 VanDerWaalsContact CD1-CE1 3.45Å; Y276-Y345 AromaticContact CD1-CE2 3.41Å; Y276-Y345 HydrophobicContact CD1-CE2 3.41Å; Y276-Y345 VanDerWaalsContact CD1-CE2 3.41Å; Y276-Y345 AromaticContact CD1-CG 3.55Å; Y276-Y345 HydrophobicContact CD1-CG 3.55Å; Y276-Y345 AromaticContact CD1-CZ 3.35Å; Y276-Y345 AromaticContact CD2-CD2 3.86Å; Y276-Y345 HydrophobicContact CD2-CD2 3.86Å; Y276-Y345 HydrophobicContact CD2-CE2 4.49Å; Y276-Y345 AromaticContact CD2-CG 3.92Å; Y276-Y345 HydrophobicContact CD2-CG 3.92Å; Y276-Y345 AromaticContact CE1-CD1 3.28Å; Y276-Y345 HydrophobicContact CE1-CD1 3.28Å; Y276-Y345 HydrophobicContact CE1-CD2 4.03Å; Y276-Y345 AromaticContact CE1-CE1 3.45Å; Y276-Y345 HydrophobicContact CE1-CE1 3.45Å; Y276-Y345 VanDerWaalsContact CE1-CE1 3.45Å; Y276-Y345 HydrophobicContact CE1-CE2 4.19Å; Y276-Y345 AromaticContact CE1-CG 3.57Å; Y276-Y345 HydrophobicContact CE1-CG 3.57Å; Y276-Y345 AromaticContact CE1-CZ 3.9Å; Y276-Y345 HydrophobicContact CE2-CD1 4.38Å; Y276-Y345 HydrophobicContact CE2-CD2 4.33Å; Y276-Y345 AromaticContact CE2-CG 3.91Å; Y276-Y345 HydrophobicContact CE2-CG 3.91Å; Y276-Y345 HydrophobicContact CG-CD1 4.25Å; Y276-Y345 AromaticContact CG-CD2 3.41Å; Y276-Y345 HydrophobicContact CG-CD2 3.41Å; Y276-Y345 VanDerWaalsContact CG-CD2 3.41Å; Y276-Y345 HydrophobicContact CG-CE1 4.38Å; Y276-Y345 AromaticContact CG-CE2 3.6Å; Y276-Y345 HydrophobicContact CG-CE2 3.6Å; Y276-Y345 AromaticContact CG-CG 3.75Å; Y276-Y345 HydrophobicContact CG-CG 3.75Å; Y276-Y345 AromaticContact CZ-CD1 3.74Å; Y276-Y345 AromaticContact CZ-CG 3.74Å; Q279-Y345 PolarHBondContact OE1-OH 3.24Å; H280-Y345 AromaticContact NE2-CE2 3.54Å; H280-Y345 AromaticContact NE2-CZ 3.64Å; H280-Y345 PolarHBondContact NE2-OH 2.88Å; I341-Y345 WeakPolarHBondContact O-CB 3.36Å; I341-Y345 PolarHBondContact O-N 2.94Å; E342-Y345 PolarHBondContact O-N 3.46Å; H343-Y345 VanDerWaalsContact C-N 3.33Å; H343-Y345 PolarHBondContact O-N 3.25Å; Y345-E347 PolarHBondContact O-N 3.46Å; Y345-E347 VanDerWaalsContact O-N 3.13Å; Y345-S348 WeakPolarHBondContact O-CB 3.44Å; Y345-S348 PolarHBondContact O-N 3.04Å; Y345-S348 PolarHBondContact O-OG 3.11Å; Y345-F366 AromaticContact CD2-CD2 3.84Å; Y345-F366 HydrophobicContact CD2-CD2 3.84Å; Y345-F366 HydrophobicContact CD2-CE2 4.11Å; Y345-F366 HydrophobicContact CE2-CD2 4.07Å; Y345-F366 AromaticContact CE2-CE2 3.84Å; Y345-F366 HydrophobicContact CE2-CE2 3.84Å; Y345-V370 HydrophobicContact CE2-CG1 4.22Å
346Q96Very high92.8Very high127 Ų12762.8 Ų62.859%0.59332%0.321SS*.Hα-helixtrans-61-19.4175.9-77.5171.3-2.300113.3E342 H343 S348 G349E342-Q346 VanDerWaalsContact O-CG 3.26Å; E342-Q346 WeakPolarHBondContact O-CG 3.28Å; E342-Q346 PolarHBondContact O-N 3.35Å; H343-Q346 PolarHBondContact O-N 2.85Å; Q346-S348 PolarHBondContact O-N 3.48Å; Q346-S348 VanDerWaalsContact O-N 3.11Å; Q346-G349 PolarHBondContact O-N 2.93Å; Q346-G349 VanDerWaalsContact O-N 3.12Å
347E95.2Very high93Very high19 Ų1961.8 Ų61.89%0.08932%0.317CS..G310 helixtrans-58.2-20169.8-61.9-178.9172.600112.9W344 Y345 G349 K350 Y351 G362 I363 G364 N365 F366W344-E347 VanDerWaalsContact O-CB 3.31Å; W344-E347 WeakPolarHBondContact O-CB 3.48Å; W344-E347 WeakPolarHBondContact O-CG 3.41Å; W344-E347 PolarHBondContact O-N 3.4Å; Y345-E347 PolarHBondContact O-N 3.46Å; Y345-E347 VanDerWaalsContact O-N 3.13Å; E347-G349 PolarHBondContact O-N 3.2Å; E347-G349 VanDerWaalsContact O-N 3.14Å; E347-K350 WeakPolarHBondContact O-CB 3.48Å; E347-K350 PolarHBondContact O-N 3.3Å; E347-Y351 PolarHBondContact O-N 3.15Å; E347-G362 VanDerWaalsContact CB-O 3.32Å; E347-G362 WeakPolarHBondContact CB-O 3.2Å; E347-G362 VanDerWaalsContact CG-O 3.3Å; E347-G362 WeakPolarHBondContact CG-O 3.26Å; E347-I363 VanDerWaalsContact OE2-CA 3.29Å; E347-I363 WeakPolarHBondContact OE2-CA 3.24Å; E347-G364 PolarHBondContact OE2-N 3.47Å; E347-N365 PolarHBondContact OE1-ND2 2.86Å; E347-N365 WeakPolarHBondContact OE2-CA 3.29Å; E347-N365 WeakPolarHBondContact OE2-CB 3.36Å; E347-N365 PolarHBondContact OE2-N 2.71Å; E347-F366 HydrophobicContact CB-CB 3.71Å; E347-F366 PolarHBondContact OE2-N 3.18Å; E347-F366 VanDerWaalsContact OE2-N 3.11Å
348S95.4Very high92.5Very high30 Ų3070 Ų7021%0.2136%0.36CS..G310 helixtrans-50.2-34170.857.80000113.6Y345 Q346 K350 Y351 F366Y345-S348 WeakPolarHBondContact O-CB 3.44Å; Y345-S348 PolarHBondContact O-N 3.04Å; Y345-S348 PolarHBondContact O-OG 3.11Å; Q346-S348 PolarHBondContact O-N 3.48Å; Q346-S348 VanDerWaalsContact O-N 3.11Å; S348-K350 PolarHBondContact O-N 3.24Å; S348-Y351 PolarHBondContact O-N 3.4Å; S348-Y351 VanDerWaalsContact O-N 3.08Å; S348-F366 VanDerWaalsContact CB-CE2 3.45Å
349G94.3Very high92.3Very high75 Ų7567.6 Ų67.677%0.77336%0.357SS*.G310 helixtrans-63.9-18.8177.600000114Q346 E347Q346-G349 PolarHBondContact O-N 2.93Å; Q346-G349 VanDerWaalsContact O-N 3.12Å; E347-G349 PolarHBondContact O-N 3.2Å; E347-G349 VanDerWaalsContact O-N 3.14Å
350K93.1Very high92.3Very high155 Ų15568 Ų6867%0.67436%0.359SS*.G310 helixtrans-98.4-12.1176.5-60.5175.2-174.8170.40112.8E347 S348 I363E347-K350 WeakPolarHBondContact O-CB 3.48Å; E347-K350 PolarHBondContact O-N 3.3Å; S348-K350 PolarHBondContact O-N 3.24Å; K350-I363 HydrophobicContact CB-CG2 3.78Å
351Y94.5Very high91.9Very high12 Ų1275.5 Ų75.55%0.04739%0.393CS..  trans-82.8125.7-174.3-176.1-107.2000112.3E347 S348 F353 S355 P357 I363 F366 T367 F414 V418E347-Y351 PolarHBondContact O-N 3.15Å; S348-Y351 PolarHBondContact O-N 3.4Å; S348-Y351 VanDerWaalsContact O-N 3.08Å; Y351-F353 AromaticContact CD1-CD1 3.58Å; Y351-F353 HydrophobicContact CD1-CD1 3.58Å; Y351-F353 HydrophobicContact CD1-CD2 4.15Å; Y351-F353 AromaticContact CD1-CE1 3.66Å; Y351-F353 HydrophobicContact CD1-CE1 3.66Å; Y351-F353 HydrophobicContact CD1-CE2 4.22Å; Y351-F353 AromaticContact CD1-CG 3.83Å; Y351-F353 HydrophobicContact CD1-CG 3.83Å; Y351-F353 AromaticContact CD1-CZ 3.99Å; Y351-F353 HydrophobicContact CD1-CZ 3.99Å; Y351-F353 HydrophobicContact CE1-CB 4.36Å; Y351-F353 AromaticContact CE1-CD1 3.6Å; Y351-F353 HydrophobicContact CE1-CD1 3.6Å; Y351-F353 HydrophobicContact CE1-CE1 4.02Å; Y351-F353 HydrophobicContact CE1-CG 4.01Å; Y351-F353 PolarHBondContact O-N 2.58Å; Y351-S355 PolarHBondContact OH-O 3.23Å; Y351-P357 HydrophobicContact CE2-CG 4.38Å; Y351-I363 HydrophobicContact CD2-CB 4.43Å; Y351-I363 HydrophobicContact CD2-CD1 3.68Å; Y351-I363 HydrophobicContact CE2-CD1 4.13Å; Y351-F366 AromaticContact CD1-CE1 3.77Å; Y351-F366 HydrophobicContact CD1-CE1 3.77Å; Y351-F366 HydrophobicContact CG-CD1 4.22Å; Y351-F366 AromaticContact CG-CE1 3.85Å; Y351-F366 HydrophobicContact CG-CE1 3.85Å; Y351-T367 HydrophobicContact CD2-CG2 3.71Å; Y351-T367 HydrophobicContact CE2-CG2 3.72Å; Y351-T367 HydrophobicContact CG-CG2 4.35Å; Y351-F414 HydrophobicContact CE2-CD1 4.21Å; Y351-V418 HydrophobicContact CD1-CG1 3.8Å; Y351-V418 HydrophobicContact CE1-CB 3.87Å; Y351-V418 HydrophobicContact CE1-CG1 3.26Å; Y351-V418 HydrophobicContact CE2-CG1 4.43Å
352K94.2Very high91.4Very high164 Ų16476.9 Ų76.971%0.71341%0.408SS*.  trans-87.795.1174-66.6-178.7-176175.60110S355K352-S355 WeakPolarHBondContact CB-OG 2.91Å; K352-S355 PolarHBondContact O-N 3.15Å; K352-S355 PolarHBondContact O-OG 3.05Å
353F93.6Very high91.4Very high55 Ų5574.6 Ų74.624%0.24140%0.398CS..THydrogen-bonded Turntrans-59152.5176.9-63.5-84.6000113.2Y351 S355 F366 V418 K419 K420Y351-F353 AromaticContact CD1-CD1 3.58Å; Y351-F353 HydrophobicContact CD1-CD1 3.58Å; Y351-F353 HydrophobicContact CD1-CD2 4.15Å; Y351-F353 AromaticContact CD1-CE1 3.66Å; Y351-F353 HydrophobicContact CD1-CE1 3.66Å; Y351-F353 HydrophobicContact CD1-CE2 4.22Å; Y351-F353 AromaticContact CD1-CG 3.83Å; Y351-F353 HydrophobicContact CD1-CG 3.83Å; Y351-F353 AromaticContact CD1-CZ 3.99Å; Y351-F353 HydrophobicContact CD1-CZ 3.99Å; Y351-F353 HydrophobicContact CE1-CB 4.36Å; Y351-F353 AromaticContact CE1-CD1 3.6Å; Y351-F353 HydrophobicContact CE1-CD1 3.6Å; Y351-F353 HydrophobicContact CE1-CE1 4.02Å; Y351-F353 HydrophobicContact CE1-CG 4.01Å; Y351-F353 PolarHBondContact O-N 2.58Å; F353-S355 PolarHBondContact O-N 3.15Å; F353-F366 HydrophobicContact CE1-CE1 4.27Å; F353-F366 AromaticContact CE1-CZ 3.99Å; F353-F366 HydrophobicContact CE1-CZ 3.99Å; F353-F366 HydrophobicContact CZ-CE1 4.26Å; F353-F366 AromaticContact CZ-CZ 3.93Å; F353-F366 HydrophobicContact CZ-CZ 3.93Å; F353-V418 HydrophobicContact CE1-CG1 4.4Å; F353-K419 WeakPolarHBondContact CE1-O 3.19Å; F353-K420 HydrophobicContact CB-CD 4.04Å; F353-K420 HydrophobicContact CB-CG 3.48Å; F353-K420 VanDerWaalsContact CB-CG 3.48Å; F353-K420 HydrophobicContact CD1-CB 4.27Å; F353-K420 HydrophobicContact CD1-CG 3.58Å; F353-K420 HydrophobicContact CD2-CG 3.91Å; F353-K420 HydrophobicContact CE1-CG 4.28Å; F353-K420 HydrophobicContact CG-CB 4.47Å; F353-K420 HydrophobicContact CG-CD 4.3Å; F353-K420 HydrophobicContact CG-CG 3.37Å
354N89.8Confident91.4Very high107 Ų10769.5 Ų69.557%0.57238%0.376SS*.THydrogen-bonded Turntrans61.725.5-176.9-50.5-20.6000113.4
355S89.1Confident91.4Very high41 Ų4171.1 Ų71.129%0.28739%0.385SS..SBendtrans-139.4155.1173.971.40000110.5Y351 K352 F353Y351-S355 PolarHBondContact OH-O 3.23Å; K352-S355 WeakPolarHBondContact CB-OG 2.91Å; K352-S355 PolarHBondContact O-N 3.15Å; K352-S355 PolarHBondContact O-OG 3.05Å; F353-S355 PolarHBondContact O-N 3.15Å
356E90.7Very high91.4Very high63 Ų6369.6 Ų69.629%0.29438%0.379SS..  trans-85.5126.9169.3-68.3-63.5135.700108.2S412 Q413 F414 Q415E356-S412 WeakPolarHBondContact OE2-CA 3.26Å; E356-S412 PolarHBondContact OE2-N 3.35Å; E356-S412 VanDerWaalsContact OE2-N 3.11Å; E356-Q413 PolarHBondContact OE2-N 2.88Å; E356-F414 PolarHBondContact OE1-N 2.71Å; E356-F414 VanDerWaalsContact OE2-CD2 3.29Å; E356-F414 WeakPolarHBondContact OE2-CD2 3.43Å; E356-F414 PolarHBondContact OE2-N 2.72Å; E356-Q415 HydrophobicContact CG-CG 4.42Å; E356-Q415 WeakPolarHBondContact OE1-CG 3.24Å; E356-Q415 PolarHBondContact OE1-N 3.43Å
357P87.7Confident91.5Very high35 Ų3563.6 Ų63.623%0.22735%0.351CS..  trans-77.2140.4178.131.4-33.7000111.2Y351 S359 I363 F414Y351-P357 HydrophobicContact CE2-CG 4.38Å; P357-S359 PolarHBondContact O-N 2.85Å; P357-I363 HydrophobicContact CB-CD1 3.65Å; P357-I363 HydrophobicContact CG-CD1 3.95Å; P357-F414 HydrophobicContact CG-CD1 3.72Å; P357-F414 HydrophobicContact CG-CD2 4.08Å; P357-F414 HydrophobicContact CG-CE1 3.82Å; P357-F414 HydrophobicContact CG-CE2 4.17Å; P357-F414 HydrophobicContact CG-CG 3.88Å; P357-F414 HydrophobicContact CG-CZ 4.06Å
358D81.8Confident91.6Very high180 Ų18062.8 Ų62.896%0.96335%0.347SS*.SBendtrans-69.1-25.8173-60.7-42.6000112.5
359S85.3Confident91.8Very high58 Ų5861.3 Ų61.341%0.40634%0.337SS..  trans-148.4145.2177.6175.90000110.5P357 Q361P357-S359 PolarHBondContact O-N 2.85Å; S359-Q361 VanDerWaalsContact C-N 3.35Å; S359-Q361 WeakPolarHBondContact OG-CB 3.3Å; S359-Q361 PolarHBondContact OG-N 2.83Å; S359-Q361 VanDerWaalsContact OG-N 3.14Å
360I87.9Confident92Very high75 Ų7557.8 Ų57.839%0.38530%0.301SS..  trans-90.41.3174.563.8171.4000113.2G362 I363 G364 N409 F414I360-G362 PolarHBondContact O-N 3.24Å; I360-G362 VanDerWaalsContact O-N 3.13Å; I360-I363 HydrophobicContact CB-CG1 4.41Å; I360-I363 WeakPolarHBondContact O-CG1 3.45Å; I360-I363 PolarHBondContact O-N 3.36Å; I360-I363 VanDerWaalsContact O-N 3.09Å; I360-G364 WeakPolarHBondContact O-CA 3.45Å; I360-G364 PolarHBondContact O-N 2.97Å; I360-N409 HydrophobicContact CD1-CB 4.23Å; I360-F414 HydrophobicContact CG2-CE1 3.89Å; I360-F414 HydrophobicContact CG2-CE2 4.4Å; I360-F414 HydrophobicContact CG2-CZ 3.42Å; I360-F414 VanDerWaalsContact CG2-CZ 3.42Å
361Q84.6Confident92.2Very high175 Ų17550.5 Ų50.582%0.81827%0.269SS*.THydrogen-bonded Turntrans-62.3118.6-178.2-171.7175.14.300110.7S359 I363S359-Q361 VanDerWaalsContact C-N 3.35Å; S359-Q361 WeakPolarHBondContact OG-CB 3.3Å; S359-Q361 PolarHBondContact OG-N 2.83Å; S359-Q361 VanDerWaalsContact OG-N 3.14Å; Q361-I363 VanDerWaalsContact C-N 3.3Å; Q361-I363 PolarHBondContact O-N 3.02Å
362G86.3Confident92.3Very high30 Ų3051.2 Ų51.231%0.30928%0.276SS..THydrogen-bonded Turntrans77.66.6-17900000115.8E347 I360E347-G362 VanDerWaalsContact CB-O 3.32Å; E347-G362 WeakPolarHBondContact CB-O 3.2Å; E347-G362 VanDerWaalsContact CG-O 3.3Å; E347-G362 WeakPolarHBondContact CG-O 3.26Å; I360-G362 PolarHBondContact O-N 3.24Å; I360-G362 VanDerWaalsContact O-N 3.13Å
363I92.4Very high92.3Very high13 Ų1346 Ų467%0.06726%0.26CS..THydrogen-bonded Turntrans-127.8-14.6169.458.9161.6000113.7E347 K350 Y351 P357 I360 Q361 N365 F366 T367E347-I363 VanDerWaalsContact OE2-CA 3.29Å; E347-I363 WeakPolarHBondContact OE2-CA 3.24Å; K350-I363 HydrophobicContact CB-CG2 3.78Å; Y351-I363 HydrophobicContact CD2-CB 4.43Å; Y351-I363 HydrophobicContact CD2-CD1 3.68Å; Y351-I363 HydrophobicContact CE2-CD1 4.13Å; P357-I363 HydrophobicContact CB-CD1 3.65Å; P357-I363 HydrophobicContact CG-CD1 3.95Å; I360-I363 HydrophobicContact CB-CG1 4.41Å; I360-I363 WeakPolarHBondContact O-CG1 3.45Å; I360-I363 PolarHBondContact O-N 3.36Å; I360-I363 VanDerWaalsContact O-N 3.09Å; Q361-I363 VanDerWaalsContact C-N 3.3Å; Q361-I363 PolarHBondContact O-N 3.02Å; I363-N365 VanDerWaalsContact C-N 3.3Å; I363-N365 PolarHBondContact O-N 2.93Å; I363-F366 PolarHBondContact O-N 3.29Å; I363-T367 HydrophobicContact CD1-CG2 4.43Å; I363-T367 WeakPolarHBondContact O-CG2 3.34Å; I363-T367 PolarHBondContact O-N 3.27Å; I363-T367 PolarHBondContact O-OG1 2.94Å; I363-T367 VanDerWaalsContact O-OG1 3.14Å
364G92.8Very high92.4Very high9 Ų943.5 Ų43.59%0.09325%0.249CC..Hα-helixtrans-64.1-29.9-16900000114.2E347 I360 T367 Q368 N409E347-G364 PolarHBondContact OE2-N 3.47Å; I360-G364 WeakPolarHBondContact O-CA 3.45Å; I360-G364 PolarHBondContact O-N 2.97Å; G364-T367 WeakPolarHBondContact CA-OG1 3.4Å; G364-T367 PolarHBondContact O-OG1 3.34Å; G364-Q368 VanDerWaalsContact O-CB 3.27Å; G364-Q368 WeakPolarHBondContact O-CB 3.27Å; G364-Q368 PolarHBondContact O-N 2.67Å; G364-N409 PolarHBondContact O-ND2 3.18Å
365N96.7Very high92.6Very high39 Ų3943.9 Ų43.921%0.20925%0.248CC..Hα-helixtrans-73.4-46177.8-59.8-60.6000109.9N323 W344 E347 I363 Q368 I369N323-N365 WeakPolarHBondContact ND2-CA 3.44Å; N323-N365 PolarHBondContact ND2-O 2.95Å; W344-N365 HydrophobicContact CB-CB 3.58Å; W344-N365 HydrophobicContact CD2-CB 4.21Å; W344-N365 HydrophobicContact CG-CB 3.53Å; E347-N365 PolarHBondContact OE1-ND2 2.86Å; E347-N365 WeakPolarHBondContact OE2-CA 3.29Å; E347-N365 WeakPolarHBondContact OE2-CB 3.36Å; E347-N365 PolarHBondContact OE2-N 2.71Å; I363-N365 VanDerWaalsContact C-N 3.3Å; I363-N365 PolarHBondContact O-N 2.93Å; N365-Q368 PolarHBondContact O-N 2.84Å; N365-I369 VanDerWaalsContact O-CG1 3.3Å; N365-I369 WeakPolarHBondContact O-CG1 3.44Å; N365-I369 PolarHBondContact O-N 3Å
366F98Very high92.9Very high0 Ų045.3 Ų45.30%025%0.247CC..Hα-helixtrans-57.7-53.1174.5161.6-106.2000111.6H280 W344 Y345 E347 S348 Y351 F353 I363 Q368 I369 V370 V418H280-F366 AromaticContact CE1-CE2 3.72Å; H280-F366 AromaticContact CE1-CZ 3.6Å; H280-F366 AromaticContact NE2-CE2 3.69Å; W344-F366 WeakPolarHBondContact O-CB 3.44Å; W344-F366 PolarHBondContact O-N 3.09Å; Y345-F366 AromaticContact CD2-CD2 3.84Å; Y345-F366 HydrophobicContact CD2-CD2 3.84Å; Y345-F366 HydrophobicContact CD2-CE2 4.11Å; Y345-F366 HydrophobicContact CE2-CD2 4.07Å; Y345-F366 AromaticContact CE2-CE2 3.84Å; Y345-F366 HydrophobicContact CE2-CE2 3.84Å; E347-F366 HydrophobicContact CB-CB 3.71Å; E347-F366 PolarHBondContact OE2-N 3.18Å; E347-F366 VanDerWaalsContact OE2-N 3.11Å; S348-F366 VanDerWaalsContact CB-CE2 3.45Å; Y351-F366 AromaticContact CD1-CE1 3.77Å; Y351-F366 HydrophobicContact CD1-CE1 3.77Å; Y351-F366 HydrophobicContact CG-CD1 4.22Å; Y351-F366 AromaticContact CG-CE1 3.85Å; Y351-F366 HydrophobicContact CG-CE1 3.85Å; F353-F366 HydrophobicContact CE1-CE1 4.27Å; F353-F366 AromaticContact CE1-CZ 3.99Å; F353-F366 HydrophobicContact CE1-CZ 3.99Å; F353-F366 HydrophobicContact CZ-CE1 4.26Å; F353-F366 AromaticContact CZ-CZ 3.93Å; F353-F366 HydrophobicContact CZ-CZ 3.93Å; I363-F366 PolarHBondContact O-N 3.29Å; F366-Q368 PolarHBondContact O-N 3.11Å; F366-I369 WeakPolarHBondContact O-CB 3.35Å; F366-I369 PolarHBondContact O-N 3.19Å; F366-V370 HydrophobicContact CD2-CG1 4.23Å; F366-V370 HydrophobicContact CD2-CG2 4.43Å; F366-V370 HydrophobicContact CE1-CG2 4.24Å; F366-V370 HydrophobicContact CE2-CB 4.49Å; F366-V370 HydrophobicContact CE2-CG1 3.76Å; F366-V370 HydrophobicContact CE2-CG2 3.9Å; F366-V370 HydrophobicContact CZ-CG1 4.42Å; F366-V370 HydrophobicContact CZ-CG2 3.79Å; F366-V370 PolarHBondContact O-N 2.69Å; F366-V370 VanDerWaalsContact O-N 3.15Å; F366-V418 HydrophobicContact CE1-CG1 3.71Å; F366-V418 HydrophobicContact CZ-CG1 4.15Å
367T97.8Very high93.2Very high0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-60.7-34.4-176.351.80000111.6Y351 I363 G364 W371 N409 F414 V418Y351-T367 HydrophobicContact CD2-CG2 3.71Å; Y351-T367 HydrophobicContact CE2-CG2 3.72Å; Y351-T367 HydrophobicContact CG-CG2 4.35Å; I363-T367 HydrophobicContact CD1-CG2 4.43Å; I363-T367 WeakPolarHBondContact O-CG2 3.34Å; I363-T367 PolarHBondContact O-N 3.27Å; I363-T367 PolarHBondContact O-OG1 2.94Å; I363-T367 VanDerWaalsContact O-OG1 3.14Å; G364-T367 WeakPolarHBondContact CA-OG1 3.4Å; G364-T367 PolarHBondContact O-OG1 3.34Å; T367-W371 WeakPolarHBondContact O-CB 3.44Å; T367-W371 PolarHBondContact O-N 3.41Å; T367-W371 VanDerWaalsContact O-N 3.08Å; T367-N409 WeakPolarHBondContact CB-OD1 3.44Å; T367-N409 PolarHBondContact OG1-OD1 3.39Å; T367-F414 HydrophobicContact CG2-CD1 4.02Å; T367-F414 HydrophobicContact CG2-CE1 3.93Å; T367-V418 HydrophobicContact CG2-CG1 4.15Å; T367-V418 HydrophobicContact CG2-CG2 4.05Å
368Q98.1Very high93.7Very high2 Ų240.7 Ų40.71%0.00922%0.222CC..Hα-helixtrans-71.1-39.4174.9-178.359.288.200113G321 N323 G364 N365 F366 V370 W371 S374 Y404 N409G321-Q368 VanDerWaalsContact CA-OE1 3.24Å; N323-Q368 WeakPolarHBondContact OD1-CB 3.23Å; N323-Q368 WeakPolarHBondContact OD1-CG 3.43Å; G364-Q368 VanDerWaalsContact O-CB 3.27Å; G364-Q368 WeakPolarHBondContact O-CB 3.27Å; G364-Q368 PolarHBondContact O-N 2.67Å; N365-Q368 PolarHBondContact O-N 2.84Å; F366-Q368 PolarHBondContact O-N 3.11Å; Q368-V370 VanDerWaalsContact C-N 3.33Å; Q368-V370 PolarHBondContact O-N 3.28Å; Q368-W371 PolarHBondContact O-N 3.4Å; Q368-S374 PolarHBondContact NE2-OG 3.16Å; Q368-Y404 HydrophobicContact CG-CD1 4.31Å; Q368-Y404 HydrophobicContact CG-CD2 3.29Å; Q368-Y404 HydrophobicContact CG-CE1 4.37Å; Q368-Y404 HydrophobicContact CG-CE2 3.37Å; Q368-Y404 HydrophobicContact CG-CG 3.8Å; Q368-N409 PolarHBondContact N-OD1 2.91Å
369I98.3Very high94.4Very high0 Ų032.1 Ų32.10%018%0.176CC..Hα-helixtrans-56.9-49.8176.2-71.4164.7000109.9R277 I341 W344 N365 F366R277-I369 WeakPolarHBondContact CD-O 3.28Å; R277-I369 WeakPolarHBondContact CG-O 3.43Å; R277-I369 PolarHBondContact NH1-O 3.45Å; I341-I369 HydrophobicContact CG2-CD1 4.46Å; W344-I369 HydrophobicContact CB-CD1 3.61Å; W344-I369 HydrophobicContact CE3-CD1 4.17Å; N365-I369 VanDerWaalsContact O-CG1 3.3Å; N365-I369 WeakPolarHBondContact O-CG1 3.44Å; N365-I369 PolarHBondContact O-N 3Å; F366-I369 WeakPolarHBondContact O-CB 3.35Å; F366-I369 PolarHBondContact O-N 3.19Å
370V98.1Very high94.9Very high0 Ų029.4 Ų29.40%016%0.157CC..Hα-helixtrans-900.5-172.6-55.40000114H280 S282 Y345 F366 Q368 S372 V418H280-V370 HydrophobicContact CB-CB 4.22Å; H280-V370 HydrophobicContact CB-CG1 4.33Å; S282-V370 WeakPolarHBondContact CB-O 3.34Å; S282-V370 PolarHBondContact OG-O 3.01Å; Y345-V370 HydrophobicContact CE2-CG1 4.22Å; F366-V370 HydrophobicContact CD2-CG1 4.23Å; F366-V370 HydrophobicContact CD2-CG2 4.43Å; F366-V370 HydrophobicContact CE1-CG2 4.24Å; F366-V370 HydrophobicContact CE2-CB 4.49Å; F366-V370 HydrophobicContact CE2-CG1 3.76Å; F366-V370 HydrophobicContact CE2-CG2 3.9Å; F366-V370 HydrophobicContact CZ-CG1 4.42Å; F366-V370 HydrophobicContact CZ-CG2 3.79Å; F366-V370 PolarHBondContact O-N 2.69Å; F366-V370 VanDerWaalsContact O-N 3.15Å; Q368-V370 VanDerWaalsContact C-N 3.33Å; Q368-V370 PolarHBondContact O-N 3.28Å; V370-S372 PolarHBondContact O-N 2.85Å; V370-V418 HydrophobicContact CG2-CB 4.48Å; V370-V418 HydrophobicContact CG2-CG1 3.75Å
371W97.9Very high95.3Very high2 Ų226 Ų261%0.00814%0.14CC..  trans-57108.9-175.5-162.8-93.7000112.4R277 T367 Q368 S373 S374 N409 V410 Q413 F414 N417 V418R277-W371 PolarHBondContact NH1-O 2.89Å; R277-W371 PolarHBondContact NH2-O 2.91Å; T367-W371 WeakPolarHBondContact O-CB 3.44Å; T367-W371 PolarHBondContact O-N 3.41Å; T367-W371 VanDerWaalsContact O-N 3.08Å; Q368-W371 PolarHBondContact O-N 3.4Å; W371-S373 VanDerWaalsContact C-N 3.29Å; W371-S373 PolarHBondContact O-N 3.12Å; W371-S374 PolarHBondContact O-N 3.15Å; W371-S374 VanDerWaalsContact O-N 3.09Å; W371-N409 VanDerWaalsContact CE3-N 3.3Å; W371-N409 VanDerWaalsContact CZ3-N 3.32Å; W371-V410 HydrophobicContact CH2-CB 4.36Å; W371-V410 WeakPolarHBondContact CH2-O 3.24Å; W371-V410 HydrophobicContact CZ2-CB 3.98Å; W371-V410 HydrophobicContact CZ2-CG2 4.32Å; W371-Q413 HydrophobicContact CH2-CB 3.96Å; W371-Q413 HydrophobicContact CZ2-CB 3.71Å; W371-F414 HydrophobicContact CH2-CD1 4.44Å; W371-F414 HydrophobicContact CH2-CD2 4.11Å; W371-F414 HydrophobicContact CH2-CE2 4.28Å; W371-F414 HydrophobicContact CH2-CG 4.18Å; W371-F414 HydrophobicContact CH2-CZ 4.5Å; W371-F414 AromaticContact CZ3-CD1 3.74Å; W371-F414 HydrophobicContact CZ3-CD1 3.74Å; W371-F414 HydrophobicContact CZ3-CD2 4.2Å; W371-F414 AromaticContact CZ3-CE1 3.85Å; W371-F414 HydrophobicContact CZ3-CE1 3.85Å; W371-F414 HydrophobicContact CZ3-CE2 4.31Å; W371-F414 AromaticContact CZ3-CG 3.91Å; W371-F414 HydrophobicContact CZ3-CG 3.91Å; W371-F414 HydrophobicContact CZ3-CZ 4.12Å; W371-N417 HydrophobicContact CD2-CB 3.4Å; W371-N417 VanDerWaalsContact CD2-CB 3.4Å; W371-N417 HydrophobicContact CE3-CB 3.76Å; W371-N417 HydrophobicContact CG-CB 3.88Å; W371-N417 HydrophobicContact CH2-CB 4.05Å; W371-N417 HydrophobicContact CZ2-CB 3.74Å; W371-N417 WeakPolarHBondContact CZ2-ND2 3.21Å; W371-N417 HydrophobicContact CZ3-CB 4.07Å; W371-N417 VanDerWaalsContact NE1-CG 3.33Å; W371-N417 PolarHBondContact NE1-OD1 3.38Å; W371-V418 HydrophobicContact CE3-CG2 3.77Å; W371-V418 HydrophobicContact CZ3-CG2 3.93Å
372S96.7Very high95.7Very high27 Ų2717.9 Ų17.919%0.18910%0.102CC..THydrogen-bonded Turntrans-62.6-31.8-167.177.80000114.5V370 N416 N417V370-S372 PolarHBondContact O-N 2.85Å; S372-N416 PolarHBondContact OG-O 3.45Å; S372-N417 PolarHBondContact N-O 3.44Å; S372-N417 WeakPolarHBondContact OG-CA 3.28Å; S372-N417 PolarHBondContact OG-OD1 2.67Å
373S94Very high95.8Very high56 Ų5619.5 Ų19.539%0.39210%0.104SC..THydrogen-bonded Turntrans-82.9-8.1179.7-56.80000114.1W371 P406 N417W371-S373 VanDerWaalsContact C-N 3.29Å; W371-S373 PolarHBondContact O-N 3.12Å; S373-P406 WeakPolarHBondContact O-CD 3.47Å; S373-N417 WeakPolarHBondContact CB-OD1 3.26Å; S373-N417 PolarHBondContact N-OD1 2.7Å; S373-N417 PolarHBondContact OG-OD1 3.01Å
374S97.1Very high95.5Very high1 Ų122 Ų221%0.00712%0.115CC..  trans-75.9130.1171.6-67.60000108.7R277 L285 Q368 W371 P406R277-S374 PolarHBondContact NH2-O 2.64Å; L285-S374 VanDerWaalsContact CD2-C 3.48Å; L285-S374 WeakPolarHBondContact CD2-O 3.3Å; Q368-S374 PolarHBondContact NE2-OG 3.16Å; W371-S374 PolarHBondContact O-N 3.15Å; W371-S374 VanDerWaalsContact O-N 3.09Å; S374-P406 WeakPolarHBondContact CB-O 3.44Å; S374-P406 PolarHBondContact OG-O 3.25Å
375E94Very high95Very high115 Ų11524.5 Ų24.554%0.53713%0.131SC..  trans-113.2-30.8-172.7-63.9176.6-171.800112.7L285 V286 H405L285-E375 WeakPolarHBondContact CA-O 3.34Å; V286-E375 PolarHBondContact N-O 2.79Å; E375-H405 PolarHBondContact N-O 2.81Å
376R94.4Very high93.8Very high72 Ų7225.1 Ų25.127%0.27213%0.131SC..EExtended strand (participates in β ladder)trans-123.8145.4-173.2-62.5174.2-177.3-85.5-15110.7V286 D288 L291 Y404 H405V286-R376 CarbonylContact O-C 3.55Å; V286-R376 VanDerWaalsContact O-CA 3.25Å; V286-R376 WeakPolarHBondContact O-CA 3.35Å; D288-R376 HydrophobicContact CB-CB 4.13Å; D288-R376 HydrophobicContact CB-CG 4.49Å; D288-R376 IonicContact OD2-NH1 3.29Å; D288-R376 PolarHBondContact OD2-NH1 3.39Å; L291-R376 HydrophobicContact CD1-CB 3.97Å; R376-Y404 WeakPolarHBondContact O-CA 3.14Å; R376-H405 HydrophobicContact CB-CB 4.4Å; R376-H405 PolarHBondContact N-O 3.05Å; R376-H405 PolarHBondContact O-N 2.81Å
377I97.9Very high92.2Very high0 Ų032.2 Ų32.20%016%0.161CC..EExtended strand (participates in β ladder)trans-126.4139.2172.9-169.3172.9000109.9V270 L285 V286 L287 D288 V379 C402 L403 Y404V270-I377 HydrophobicContact CG1-CG2 4.2Å; V270-I377 HydrophobicContact CG2-CG2 3.88Å; L285-I377 HydrophobicContact CB-CB 4.13Å; L285-I377 HydrophobicContact CB-CG2 3.88Å; L285-I377 HydrophobicContact CD1-CB 4.1Å; L285-I377 HydrophobicContact CD1-CD1 4.21Å; V286-I377 PolarHBondContact O-N 3.22Å; L287-I377 CarbonylContact C-O 3.53Å; L287-I377 WeakPolarHBondContact CA-O 3.44Å; L287-I377 HydrophobicContact CD1-CG2 4.45Å; D288-I377 PolarHBondContact N-O 2.96Å; I377-V379 HydrophobicContact CD1-CG2 4.08Å; I377-V379 HydrophobicContact CG1-CG2 4.08Å; I377-C402 HydrophobicContact CD1-CB 4.19Å; I377-C402 HydrophobicContact CG1-CB 4.45Å; I377-L403 CarbonylContact C-O 3.56Å; I377-L403 VanDerWaalsContact CA-O 3.24Å; I377-L403 WeakPolarHBondContact CA-O 3.37Å; I377-Y404 HydrophobicContact CD1-CD1 4.39Å; I377-Y404 HydrophobicContact CD1-CE1 3.75Å; I377-Y404 HydrophobicContact CG1-CD1 4.25Å; I377-Y404 HydrophobicContact CG1-CE1 4.08Å
378G96.6Very high90.3Very high0 Ų037.1 Ų37.10%020%0.196CC..EExtended strand (participates in β ladder)trans-113.3137162.700000109.8S292 C402 L403S292-G378 WeakPolarHBondContact OG-CA 3.42Å; G378-C402 CarbonylContact O-C 3.59Å; G378-C402 WeakPolarHBondContact O-CA 3.37Å; G378-L403 PolarHBondContact N-O 2.79Å; G378-L403 PolarHBondContact O-N 3.43Å
379V97.2Very high88.4Confident1 Ų140.9 Ų40.91%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-121131.3-177.8-176.50000109.5I266 V269 V270 L287 S292 I377 I381 L400 V401I266-V379 HydrophobicContact CG1-CB 4.39Å; I266-V379 HydrophobicContact CG1-CG1 4.12Å; I266-V379 HydrophobicContact CG2-CB 4.09Å; V269-V379 HydrophobicContact CB-CG1 4.09Å; V269-V379 HydrophobicContact CB-CG2 4.32Å; V269-V379 HydrophobicContact CG1-CG1 3.9Å; V269-V379 HydrophobicContact CG1-CG2 3.74Å; V269-V379 HydrophobicContact CG2-CG1 4.17Å; V270-V379 HydrophobicContact CG2-CG2 4.04Å; L287-V379 HydrophobicContact CD1-CG2 4.21Å; S292-V379 PolarHBondContact OG-N 2.8Å; S292-V379 VanDerWaalsContact OG-N 3.11Å; I377-V379 HydrophobicContact CD1-CG2 4.08Å; I377-V379 HydrophobicContact CG1-CG2 4.08Å; V379-I381 HydrophobicContact CG1-CD1 4.3Å; V379-I381 HydrophobicContact CG1-CG1 4.17Å; V379-L400 HydrophobicContact CG1-CD1 3.85Å; V379-V401 WeakPolarHBondContact CA-O 3.21Å
380G96.7Very high86.3Confident0 Ų046.8 Ų46.80%026%0.262CS..EExtended strand (participates in β ladder)trans-128.9135.4173.400000110.3A295 V401A295-G380 VanDerWaalsContact CB-N 3.35Å; G380-V401 PolarHBondContact N-O 2.81Å; G380-V401 PolarHBondContact O-N 2.86Å
381I95.8Very high84.1Confident4 Ų451.5 Ų51.52%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-134.3122.6-178.3-60.8166.4000108.3L262 I266 V269 Q296 L335 C337 V379 I399 L400L262-I381 HydrophobicContact CD1-CB 3.66Å; L262-I381 HydrophobicContact CD1-CD1 4.26Å; L262-I381 HydrophobicContact CD1-CG2 3.94Å; I266-I381 HydrophobicContact CG1-CD1 4.03Å; V269-I381 HydrophobicContact CG2-CD1 4.45Å; Q296-I381 PolarHBondContact NE2-O 2.7Å; Q296-I381 PolarHBondContact OE1-O 3.46Å; L335-I381 HydrophobicContact CD1-CG2 3.49Å; L335-I381 VanDerWaalsContact CD1-CG2 3.49Å; C337-I381 VanDerWaalsContact SG-CD1 3.56Å; V379-I381 HydrophobicContact CG1-CD1 4.3Å; V379-I381 HydrophobicContact CG1-CG1 4.17Å; I381-I399 VanDerWaalsContact CA-O 3.32Å; I381-I399 WeakPolarHBondContact CA-O 3.06Å; I381-L400 HydrophobicContact CD1-CD1 4.35Å; I381-L400 HydrophobicContact CG1-CD1 3.68Å
382A93.3Very high81.9Confident4 Ų459.7 Ų59.73%0.03333%0.331CS..EExtended strand (participates in β ladder)trans-121.1131.8174.100000109A299 D300 L303 M398 I399A299-A382 HydrophobicContact CB-CB 3.76Å; A299-A382 WeakPolarHBondContact O-CB 3.33Å; D300-A382 WeakPolarHBondContact OD1-CB 3.45Å; L303-A382 HydrophobicContact CB-CB 4.07Å; L303-A382 HydrophobicContact CD1-CB 4.45Å; L303-A382 HydrophobicContact CD2-CB 4.08Å; L303-A382 HydrophobicContact CG-CB 4.45Å; A382-M398 CarbonylContact O-C 3.5Å; A382-M398 WeakPolarHBondContact O-CA 3.46Å; A382-I399 HydrophobicContact CB-CB 4.49Å; A382-I399 PolarHBondContact N-O 2.8Å; A382-I399 PolarHBondContact O-N 3.32Å
383I88.8Confident79.9Confident65 Ų6566.8 Ų66.833%0.33336%0.36SS..EExtended strand (participates in β ladder)trans-134.7135.4-179.2-172167.7000110.2M333 L335 K397 M398M333-I383 HydrophobicContact CE-CD1 4.43Å; M333-I383 HydrophobicContact CE-CG1 4.22Å; M333-I383 HydrophobicContact CG-CD1 4.14Å; L335-I383 HydrophobicContact CB-CD1 4.37Å; I383-K397 CarbonylContact C-O 3.57Å; I383-K397 WeakPolarHBondContact CA-O 3.25Å; I383-M398 HydrophobicContact CB-CG 4.36Å; I383-M398 HydrophobicContact CD1-CB 4.42Å; I383-M398 HydrophobicContact CD1-CG 4.46Å; I383-M398 HydrophobicContact CG1-CB 4.21Å; I383-M398 HydrophobicContact CG1-CG 4.45Å
384Q86.2Confident78.5Confident66 Ų6668.6 Ų68.631%0.30836%0.361SS..EExtended strand (participates in β ladder)trans-124.7121.3168.2-177.8170.964.400107.1L303 Y386 S396 K397L303-Q384 HydrophobicContact CD1-CB 4.06Å; L303-Q384 HydrophobicContact CD2-CB 4.11Å; L303-Q384 HydrophobicContact CG-CB 4.36Å; Q384-Y386 VanDerWaalsContact CD-CZ 3.46Å; Q384-Y386 HydrophobicContact CG-CD2 4.45Å; Q384-Y386 HydrophobicContact CG-CE1 4.48Å; Q384-Y386 HydrophobicContact CG-CE2 3.65Å; Q384-Y386 PolarHBondContact NE2-OH 3.24Å; Q384-Y386 VanDerWaalsContact NE2-OH 3.07Å; Q384-Y386 PolarHBondContact OE1-OH 3.42Å; Q384-S396 CarbonylContact O-C 3.54Å; Q384-S396 VanDerWaalsContact O-CA 3.24Å; Q384-S396 WeakPolarHBondContact O-CA 3.44Å; Q384-S396 WeakPolarHBondContact O-CB 3.45Å; Q384-K397 PolarHBondContact N-O 3.03Å; Q384-K397 PolarHBondContact O-N 2.92Å
385S80.9Confident77.2Confident61 Ų6172.3 Ų72.343%0.42738%0.381SS..  trans-122.3130179.3179.40000109.4P332 M333 S396P332-S385 WeakPolarHBondContact CA-OG 3.05Å; M333-S385 PolarHBondContact N-OG 3.44Å; S385-S396 WeakPolarHBondContact CA-OG 3.45Å
386Y72.1Confident76.6Confident52 Ų5266.8 Ų66.820%0.20436%0.355CS..PPolyproline II helixtrans-102.1144.5174.2-62.7-78.8000110.4G331 P332 Q384 K394 D395 S396G331-Y386 CarbonylContact C-O 3.45Å; P332-Y386 WeakPolarHBondContact CA-O 3.31Å; Q384-Y386 VanDerWaalsContact CD-CZ 3.46Å; Q384-Y386 HydrophobicContact CG-CD2 4.45Å; Q384-Y386 HydrophobicContact CG-CE1 4.48Å; Q384-Y386 HydrophobicContact CG-CE2 3.65Å; Q384-Y386 PolarHBondContact NE2-OH 3.24Å; Q384-Y386 VanDerWaalsContact NE2-OH 3.07Å; Q384-Y386 PolarHBondContact OE1-OH 3.42Å; Y386-K394 HydrophobicContact CD1-CB 3.97Å; Y386-K394 HydrophobicContact CD1-CD 4.06Å; Y386-K394 HydrophobicContact CD2-CB 3.79Å; Y386-K394 HydrophobicContact CE1-CB 3.86Å; Y386-K394 HydrophobicContact CE1-CD 3.44Å; Y386-K394 VanDerWaalsContact CE1-CD 3.44Å; Y386-K394 HydrophobicContact CE1-CG 4.24Å; Y386-K394 HydrophobicContact CE2-CB 3.67Å; Y386-K394 HydrophobicContact CG-CB 3.93Å; Y386-D395 WeakPolarHBondContact CD2-O 3.36Å; Y386-D395 VanDerWaalsContact CE2-O 3.27Å; Y386-D395 WeakPolarHBondContact CE2-O 3.17Å; Y386-S396 PolarHBondContact N-OG 3.44Å
387K65.4Low76.3Confident148 Ų14863.7 Ų63.764%0.64334%0.344SS*.PPolyproline II helixtrans-73144.1170.8-70.9-177.8-179.7176.60108.8G389 E390K387-G389 PolarHBondContact O-N 2.74Å; K387-E390 PolarHBondContact O-N 2.92Å
388S58Low75.8Confident104 Ų10463.7 Ų63.773%0.72734%0.344SS*.THydrogen-bonded Turntrans-58.3124.1171.3-1710000109.1
389G58.3Low75.7Confident80 Ų8063.7 Ų63.783%0.82534%0.344SS*.THydrogen-bonded Turntrans100.3-9.8176.200000116.6K387K387-G389 PolarHBondContact O-N 2.74Å
390E53.1Low75.7Confident124 Ų12463.6 Ų63.658%0.57934%0.343SS*.SBendtrans-97112.2170.9-74-180168.100109.2K387K387-E390 PolarHBondContact O-N 2.92Å
391D52.8Low75.8Confident100 Ų10063.6 Ų63.654%0.53534%0.343SS..  trans5796.8-177.4-64.1-27.9000115.3H393 K394D391-H393 PolarHBondContact O-N 3.3Å; D391-K394 HydrophobicContact CB-CD 3.96Å; D391-K394 HydrophobicContact CB-CG 4.13Å; D391-K394 PolarHBondContact O-N 3.05Å; D391-K394 WeakPolarHBondContact OD2-CE 3.4Å; D391-K394 IonicContact OD2-NZ 3.92Å; D391-K394 PolarHBondContact OD2-NZ 3.21Å
392L51.5Low75.9Confident173 Ų17363.4 Ų63.491%0.90634%0.342SS*.THydrogen-bonded Turntrans-53.12.7174.7-85.3155.9000116.4
393H54.9Low76.1Confident176 Ų17663.2 Ų63.282%0.81534%0.341SS*.THydrogen-bonded Turntrans-126.515-173.8-62.4-55000114.1D391D391-H393 PolarHBondContact O-N 3.3Å
394K63.7Low76.6Confident95 Ų9560.1 Ų60.141%0.41333%0.325SS..  trans-122.4113.8-177.9-68.1-175.8-176.7160.60112Y386 D391Y386-K394 HydrophobicContact CD1-CB 3.97Å; Y386-K394 HydrophobicContact CD1-CD 4.06Å; Y386-K394 HydrophobicContact CD2-CB 3.79Å; Y386-K394 HydrophobicContact CE1-CB 3.86Å; Y386-K394 HydrophobicContact CE1-CD 3.44Å; Y386-K394 VanDerWaalsContact CE1-CD 3.44Å; Y386-K394 HydrophobicContact CE1-CG 4.24Å; Y386-K394 HydrophobicContact CE2-CB 3.67Å; Y386-K394 HydrophobicContact CG-CB 3.93Å; D391-K394 HydrophobicContact CB-CD 3.96Å; D391-K394 HydrophobicContact CB-CG 4.13Å; D391-K394 PolarHBondContact O-N 3.05Å; D391-K394 WeakPolarHBondContact OD2-CE 3.4Å; D391-K394 IonicContact OD2-NZ 3.92Å; D391-K394 PolarHBondContact OD2-NZ 3.21Å
395D69.8Low76.8Confident78 Ų7857.7 Ų57.742%0.41731%0.314SS..  trans-85.8133.8176.3-57.4-32.2000110.5W328 Y386W328-D395 HydrophobicContact CE3-CB 3.96Å; W328-D395 HydrophobicContact CZ3-CB 4.42Å; Y386-D395 WeakPolarHBondContact CD2-O 3.36Å; Y386-D395 VanDerWaalsContact CE2-O 3.27Å; Y386-D395 WeakPolarHBondContact CE2-O 3.17Å
396S81.2Confident77.5Confident0 Ų056.4 Ų56.40%030%0.304CS..EExtended strand (participates in β ladder)trans-66.2137.6168.2-62.40000109.3W328 S329 G331 Q384 S385 Y386W328-S396 CarbonylContact C-O 3.57Å; W328-S396 VanDerWaalsContact CA-O 3.26Å; W328-S396 WeakPolarHBondContact CA-O 3.33Å; S329-S396 PolarHBondContact N-O 2.96Å; S329-S396 WeakPolarHBondContact O-CB 3.47Å; S329-S396 PolarHBondContact O-N 3.28Å; G331-S396 WeakPolarHBondContact O-CB 3.34Å; G331-S396 PolarHBondContact O-OG 2.98Å; Q384-S396 CarbonylContact O-C 3.54Å; Q384-S396 VanDerWaalsContact O-CA 3.24Å; Q384-S396 WeakPolarHBondContact O-CA 3.44Å; Q384-S396 WeakPolarHBondContact O-CB 3.45Å; S385-S396 WeakPolarHBondContact CA-OG 3.45Å; Y386-S396 PolarHBondContact N-OG 3.44Å
397K87.5Confident78.4Confident6 Ų655 Ų553%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-139.5135.1-174.6-171.8-173.6178.5-176.70112.6L302 L303 Q305 R327 W328 I383 Q384 I399L302-K397 PolarHBondContact O-NZ 3.1Å; L303-K397 HydrophobicContact CD1-CB 4.07Å; L303-K397 HydrophobicContact CD1-CD 4.11Å; L303-K397 HydrophobicContact CD1-CG 4.1Å; L303-K397 VanDerWaalsContact CD1-O 3.31Å; L303-K397 WeakPolarHBondContact CD1-O 3.3Å; L303-K397 WeakPolarHBondContact O-CD 3.45Å; L303-K397 PolarHBondContact O-NZ 2.99Å; Q305-K397 PolarHBondContact O-NZ 3.21Å; R327-K397 WeakPolarHBondContact O-CA 3.3Å; W328-K397 HydrophobicContact CD2-CB 4.4Å; W328-K397 HydrophobicContact CD2-CD 4.33Å; W328-K397 HydrophobicContact CD2-CG 3.96Å; W328-K397 HydrophobicContact CE3-CB 3.97Å; W328-K397 HydrophobicContact CE3-CD 4.08Å; W328-K397 HydrophobicContact CE3-CG 3.92Å; W328-K397 HydrophobicContact CH2-CD 3.39Å; W328-K397 HydrophobicContact CH2-CG 4.09Å; W328-K397 HydrophobicContact CZ2-CD 3.61Å; W328-K397 HydrophobicContact CZ2-CG 4.08Å; W328-K397 HydrophobicContact CZ3-CB 4.13Å; W328-K397 HydrophobicContact CZ3-CD 3.62Å; W328-K397 HydrophobicContact CZ3-CG 3.99Å; I383-K397 CarbonylContact C-O 3.57Å; I383-K397 WeakPolarHBondContact CA-O 3.25Å; Q384-K397 PolarHBondContact N-O 3.03Å; Q384-K397 PolarHBondContact O-N 2.92Å; K397-I399 HydrophobicContact CD-CD1 4.41Å; K397-I399 HydrophobicContact CG-CD1 4.38Å
398M89.1Confident79.7Confident0 Ų048.3 Ų48.30%027%0.274CS..EExtended strand (participates in β ladder)trans-124.2134.9174.5-177.5-177.182.700108.2S326 R327 M333 L335 N336 L340 A382 I383S326-M398 CarbonylContact C-O 3.51Å; S326-M398 WeakPolarHBondContact CA-O 3.48Å; R327-M398 HydrophobicContact CB-CB 4.49Å; R327-M398 HydrophobicContact CB-CE 4.48Å; R327-M398 HydrophobicContact CG-CE 4.2Å; R327-M398 PolarHBondContact N-O 3.33Å; R327-M398 PolarHBondContact O-N 3.01Å; M333-M398 HydrophobicContact CE-CB 3.57Å; M333-M398 HydrophobicContact SD-CB 3.78Å; L335-M398 HydrophobicContact CD1-SD 3.83Å; N336-M398 VanDerWaalsContact O-CE 3.31Å; N336-M398 WeakPolarHBondContact O-CE 3.3Å; L340-M398 HydrophobicContact CD1-CE 3.41Å; L340-M398 VanDerWaalsContact CD1-CE 3.41Å; L340-M398 HydrophobicContact CG-CE 4.22Å; A382-M398 CarbonylContact O-C 3.5Å; A382-M398 WeakPolarHBondContact O-CA 3.46Å; I383-M398 HydrophobicContact CB-CG 4.36Å; I383-M398 HydrophobicContact CD1-CB 4.42Å; I383-M398 HydrophobicContact CD1-CG 4.46Å; I383-M398 HydrophobicContact CG1-CB 4.21Å; I383-M398 HydrophobicContact CG1-CG 4.45Å
399I94.2Very high81.4Confident0 Ų045 Ų450%025%0.248CC..EExtended strand (participates in β ladder)trans-118130.9172.7-59.2-55.4000108.8A299 L302 L303 L308 G325 I381 A382 K397 V401A299-I399 HydrophobicContact CB-CB 4.48Å; A299-I399 HydrophobicContact CB-CG2 4.1Å; L302-I399 HydrophobicContact CB-CD1 4.4Å; L302-I399 HydrophobicContact CB-CG1 4.06Å; L302-I399 HydrophobicContact CB-CG2 3.88Å; L302-I399 HydrophobicContact CD1-CG2 3.97Å; L303-I399 HydrophobicContact CB-CG1 4.36Å; L303-I399 HydrophobicContact CD1-CG1 4.35Å; L308-I399 HydrophobicContact CD2-CD1 3.77Å; G325-I399 WeakPolarHBondContact O-CA 3.23Å; I381-I399 VanDerWaalsContact CA-O 3.32Å; I381-I399 WeakPolarHBondContact CA-O 3.06Å; A382-I399 HydrophobicContact CB-CB 4.49Å; A382-I399 PolarHBondContact N-O 2.8Å; A382-I399 PolarHBondContact O-N 3.32Å; K397-I399 HydrophobicContact CD-CD1 4.41Å; K397-I399 HydrophobicContact CG-CD1 4.38Å; I399-V401 HydrophobicContact CG2-CG2 3.84Å
400L96.9Very high82.7Confident0 Ų043.6 Ų43.60%022%0.224CC..EExtended strand (participates in β ladder)trans-112.6127.6166.2174.263.8000108.6V269 G325 C337 L340 I341 W344 V379 I381V269-L400 HydrophobicContact CG2-CD1 4.07Å; G325-L400 PolarHBondContact N-O 3.29Å; G325-L400 PolarHBondContact O-N 3.01Å; C337-L400 HydrophobicContact CB-CD2 4.15Å; L340-L400 HydrophobicContact CB-CD2 4.28Å; L340-L400 HydrophobicContact CD1-CB 3.86Å; L340-L400 HydrophobicContact CD1-CD2 4.34Å; I341-L400 HydrophobicContact CD1-CD2 4.29Å; I341-L400 HydrophobicContact CG1-CD2 3.93Å; W344-L400 HydrophobicContact CH2-CD2 3.6Å; W344-L400 HydrophobicContact CH2-CG 3.85Å; W344-L400 HydrophobicContact CZ2-CD2 4.27Å; W344-L400 HydrophobicContact CZ3-CD2 3.96Å; V379-L400 HydrophobicContact CG1-CD1 3.85Å; I381-L400 HydrophobicContact CD1-CD1 4.35Å; I381-L400 HydrophobicContact CG1-CD1 3.68Å
401V97.9Very high83.9Confident0 Ų044.6 Ų44.60%023%0.231CC..EExtended strand (participates in β ladder)trans-120121.8172.9-179.20000108.3A295 W298 A299 L302 L324 V379 G380 I399 L403A295-V401 HydrophobicContact CB-CB 4.25Å; A295-V401 HydrophobicContact CB-CG1 3.96Å; W298-V401 HydrophobicContact CB-CG1 4.39Å; W298-V401 HydrophobicContact CB-CG2 4.4Å; A299-V401 HydrophobicContact CB-CB 4.4Å; A299-V401 HydrophobicContact CB-CG2 3.78Å; L302-V401 HydrophobicContact CD1-CG2 4.02Å; L324-V401 HydrophobicContact CD2-CB 4.15Å; L324-V401 HydrophobicContact CD2-CG1 3.82Å; L324-V401 HydrophobicContact CD2-CG2 3.73Å; V379-V401 WeakPolarHBondContact CA-O 3.21Å; G380-V401 PolarHBondContact N-O 2.81Å; G380-V401 PolarHBondContact O-N 2.86Å; I399-V401 HydrophobicContact CG2-CG2 3.84Å; V401-L403 HydrophobicContact CG1-CD2 3.8Å; V401-L403 HydrophobicContact CG1-CG 4.14Å
402C98.6Very high85.4Confident0 Ų044 Ų440%024%0.235CC..EExtended strand (participates in β ladder)trans-113.4121.5168.9-68.20000109.2E322 N323 W344 I377 G378 Y404E322-C402 VanDerWaalsContact CA-O 3.3Å; E322-C402 WeakPolarHBondContact CA-O 3.37Å; N323-C402 HydrophobicContact CB-CB 4.4Å; N323-C402 PolarHBondContact N-O 3.24Å; N323-C402 PolarHBondContact O-N 2.8Å; W344-C402 HydrophobicContact CH2-CB 4.42Å; W344-C402 HydrophobicContact CZ3-CB 4.31Å; I377-C402 HydrophobicContact CD1-CB 4.19Å; I377-C402 HydrophobicContact CG1-CB 4.45Å; G378-C402 CarbonylContact O-C 3.59Å; G378-C402 WeakPolarHBondContact O-CA 3.37Å; C402-Y404 HydrophobicContact CB-CE2 3.71Å; C402-Y404 VanDerWaalsContact CB-OH 3.28Å; C402-Y404 WeakPolarHBondContact CB-OH 3.47Å; C402-Y404 VanDerWaalsContact O-CE2 3.32Å; C402-Y404 WeakPolarHBondContact O-CE2 3.38Å
403L98.1Very high87.3Confident0 Ų039.6 Ų39.60%021%0.21CC..EExtended strand (participates in β ladder)trans-104.5136.2174.5-56.8-176.2000110L291 M294 A295 Y313 V320 G321 E322 I377 G378 V401L291-L403 HydrophobicContact CD2-CB 4.3Å; M294-L403 HydrophobicContact CB-CD1 3.71Å; A295-L403 HydrophobicContact CB-CD1 3.95Å; A295-L403 HydrophobicContact CB-CG 3.83Å; Y313-L403 HydrophobicContact CD2-CD1 3.86Å; Y313-L403 HydrophobicContact CE2-CD1 4.46Å; V320-L403 HydrophobicContact CB-CB 4.37Å; V320-L403 HydrophobicContact CG2-CB 4.34Å; V320-L403 HydrophobicContact CG2-CD1 4.36Å; V320-L403 HydrophobicContact CG2-CD2 3.85Å; V320-L403 HydrophobicContact CG2-CG 4.4Å; G321-L403 CarbonylContact O-C 3.51Å; G321-L403 VanDerWaalsContact O-CA 3.3Å; G321-L403 WeakPolarHBondContact O-CA 3.13Å; E322-L403 HydrophobicContact CB-CD2 4.08Å; E322-L403 HydrophobicContact CG-CD2 3.72Å; E322-L403 VanDerWaalsContact OE2-CD2 3.29Å; E322-L403 WeakPolarHBondContact OE2-CD2 3.43Å; I377-L403 CarbonylContact C-O 3.56Å; I377-L403 VanDerWaalsContact CA-O 3.24Å; I377-L403 WeakPolarHBondContact CA-O 3.37Å; G378-L403 PolarHBondContact N-O 2.79Å; G378-L403 PolarHBondContact O-N 3.43Å; V401-L403 HydrophobicContact CG1-CD2 3.8Å; V401-L403 HydrophobicContact CG1-CG 4.14Å
404Y98.1Very high89.1Confident0 Ų031.4 Ų31.40%017%0.172CC..EExtended strand (participates in β ladder)trans-120.2140.2-175.5-52.9-96.7000111.3H273 L285 G321 N323 Q368 R376 I377 C402H273-Y404 AromaticContact CD2-CE1 3.77Å; H273-Y404 PolarHBondContact CD2-OH 3.44Å; H273-Y404 AromaticContact NE2-CE1 3.9Å; H273-Y404 AromaticContact NE2-CZ 3.69Å; H273-Y404 PolarHBondContact NE2-OH 2.83Å; L285-Y404 HydrophobicContact CD1-CD1 3.89Å; L285-Y404 HydrophobicContact CD1-CE1 3.87Å; G321-Y404 PolarHBondContact N-O 3.39Å; G321-Y404 PolarHBondContact O-N 2.05Å; N323-Y404 HydrophobicContact CB-CE2 4.01Å; N323-Y404 PolarHBondContact ND2-OH 2.88Å; Q368-Y404 HydrophobicContact CG-CD1 4.31Å; Q368-Y404 HydrophobicContact CG-CD2 3.29Å; Q368-Y404 HydrophobicContact CG-CE1 4.37Å; Q368-Y404 HydrophobicContact CG-CE2 3.37Å; Q368-Y404 HydrophobicContact CG-CG 3.8Å; R376-Y404 WeakPolarHBondContact O-CA 3.14Å; I377-Y404 HydrophobicContact CD1-CD1 4.39Å; I377-Y404 HydrophobicContact CD1-CE1 3.75Å; I377-Y404 HydrophobicContact CG1-CD1 4.25Å; I377-Y404 HydrophobicContact CG1-CE1 4.08Å; C402-Y404 HydrophobicContact CB-CE2 3.71Å; C402-Y404 VanDerWaalsContact CB-OH 3.28Å; C402-Y404 WeakPolarHBondContact CB-OH 3.47Å; C402-Y404 VanDerWaalsContact O-CE2 3.32Å; C402-Y404 WeakPolarHBondContact O-CE2 3.38Å
405H91.9Very high90.4Very high15 Ų1531.6 Ų31.67%0.06917%0.174CC..EExtended strand (participates in β ladder)trans-142.2132.3175.6-174.974.4000112.2L291 Y315 E375 R376L291-H405 HydrophobicContact CD1-CB 3.74Å; Y315-H405 HydrophobicContact CD1-CB 3.92Å; Y315-H405 AromaticContact CD1-CD2 3.83Å; Y315-H405 AromaticContact CD1-CG 3.63Å; Y315-H405 AromaticContact CD1-ND1 3.95Å; Y315-H405 HydrophobicContact CE1-CB 4.43Å; Y315-H405 PolarHBondContact O-CE1 2.85Å; E375-H405 PolarHBondContact N-O 2.81Å; R376-H405 HydrophobicContact CB-CB 4.4Å; R376-H405 PolarHBondContact N-O 3.05Å; R376-H405 PolarHBondContact O-N 2.81Å
406P94.9Very high91.5Very high33 Ų3333.6 Ų33.621%0.21419%0.185CC..SBendcis-51.6154.9-15.5-26.335.2000113.1M318 S373 S374M318-P406 HydrophobicContact CE-CB 4.32Å; S373-P406 WeakPolarHBondContact O-CD 3.47Å; S374-P406 WeakPolarHBondContact CB-O 3.44Å; S374-P406 PolarHBondContact OG-O 3.25Å
407P91.1Very high92.2Very high23 Ų2333.8 Ų33.815%0.14919%0.186CC..  trans-61.1146.7178.627.5-36.1000111.5M318 K319M318-P407 HydrophobicContact CE-CG 3.98Å; K319-P407 WeakPolarHBondContact O-CB 3.45Å; K319-P407 WeakPolarHBondContact O-CD 3.46Å; K319-P407 WeakPolarHBondContact O-CG 3.39Å
408G93Very high92.7Very high8 Ų833.5 Ų33.58%0.08219%0.185CC..SBendtrans-91.3-166.5163.600000112.1V410G408-V410 PolarHBondContact O-N 3.47Å
409N92Very high93Very high34 Ų3438.1 Ų38.118%0.18221%0.205CC..  trans5534.5178.3-60.5-15.5000113.4I360 G364 T367 Q368 W371 F414I360-N409 HydrophobicContact CD1-CB 4.23Å; G364-N409 PolarHBondContact O-ND2 3.18Å; T367-N409 WeakPolarHBondContact CB-OD1 3.44Å; T367-N409 PolarHBondContact OG1-OD1 3.39Å; Q368-N409 PolarHBondContact N-OD1 2.91Å; W371-N409 VanDerWaalsContact CE3-N 3.3Å; W371-N409 VanDerWaalsContact CZ3-N 3.32Å; N409-F414 HydrophobicContact CB-CZ 4.14Å
410V85.7Confident93Very high51 Ų5143.5 Ų43.531%0.30923%0.228SC..  trans-81120.6174.2-175.70000108.3W371 G408 S412 Q413 F414W371-V410 HydrophobicContact CH2-CB 4.36Å; W371-V410 WeakPolarHBondContact CH2-O 3.24Å; W371-V410 HydrophobicContact CZ2-CB 3.98Å; W371-V410 HydrophobicContact CZ2-CG2 4.32Å; G408-V410 PolarHBondContact O-N 3.47Å; V410-S412 PolarHBondContact O-N 3.44Å; V410-Q413 HydrophobicContact CB-CB 4.28Å; V410-Q413 HydrophobicContact CB-CG 4.3Å; V410-Q413 HydrophobicContact CG1-CG 4.07Å; V410-Q413 PolarHBondContact O-N 3.4Å; V410-Q413 VanDerWaalsContact O-N 3.14Å; V410-F414 WeakPolarHBondContact O-CD2 3.39Å; V410-F414 WeakPolarHBondContact O-CE2 3.49Å
411I79.1Confident92.8Very high144 Ų14445.9 Ų45.974%0.73825%0.248SC*.THydrogen-bonded Turntrans-50.6141.1176.4-62.3172.4000109.2Q413I411-Q413 PolarHBondContact O-N 3.35Å
412S85Confident92.3Very high88 Ų8851.4 Ų51.462%0.61528%0.276SS*.THydrogen-bonded Turntrans70.74.8-178.574.90000116.3E356 V410E356-S412 WeakPolarHBondContact OE2-CA 3.26Å; E356-S412 PolarHBondContact OE2-N 3.35Å; E356-S412 VanDerWaalsContact OE2-N 3.11Å; V410-S412 PolarHBondContact O-N 3.44Å
413Q90.7Very high90.9Very high81 Ų8164.3 Ų64.338%0.37933%0.332SS..  trans-1198.5179.7-59.8-170.214.500113.4E356 W371 V410 I411 N417E356-Q413 PolarHBondContact OE2-N 2.88Å; W371-Q413 HydrophobicContact CH2-CB 3.96Å; W371-Q413 HydrophobicContact CZ2-CB 3.71Å; V410-Q413 HydrophobicContact CB-CB 4.28Å; V410-Q413 HydrophobicContact CB-CG 4.3Å; V410-Q413 HydrophobicContact CG1-CG 4.07Å; V410-Q413 PolarHBondContact O-N 3.4Å; V410-Q413 VanDerWaalsContact O-N 3.14Å; I411-Q413 PolarHBondContact O-N 3.35Å; Q413-N417 WeakPolarHBondContact O-CB 3.4Å; Q413-N417 PolarHBondContact O-N 3.25Å; Q413-N417 PolarHBondContact O-ND2 3.08Å
414F92.4Very high90.5Very high3 Ų367.6 Ų67.61%0.01335%0.349CS..Hα-helixtrans-68.2-43.6-176.3-76.3-101000111.6Y351 E356 P357 I360 T367 W371 N409 V410 N416 N417 V418Y351-F414 HydrophobicContact CE2-CD1 4.21Å; E356-F414 PolarHBondContact OE1-N 2.71Å; E356-F414 VanDerWaalsContact OE2-CD2 3.29Å; E356-F414 WeakPolarHBondContact OE2-CD2 3.43Å; E356-F414 PolarHBondContact OE2-N 2.72Å; P357-F414 HydrophobicContact CG-CD1 3.72Å; P357-F414 HydrophobicContact CG-CD2 4.08Å; P357-F414 HydrophobicContact CG-CE1 3.82Å; P357-F414 HydrophobicContact CG-CE2 4.17Å; P357-F414 HydrophobicContact CG-CG 3.88Å; P357-F414 HydrophobicContact CG-CZ 4.06Å; I360-F414 HydrophobicContact CG2-CE1 3.89Å; I360-F414 HydrophobicContact CG2-CE2 4.4Å; I360-F414 HydrophobicContact CG2-CZ 3.42Å; I360-F414 VanDerWaalsContact CG2-CZ 3.42Å; T367-F414 HydrophobicContact CG2-CD1 4.02Å; T367-F414 HydrophobicContact CG2-CE1 3.93Å; W371-F414 HydrophobicContact CH2-CD1 4.44Å; W371-F414 HydrophobicContact CH2-CD2 4.11Å; W371-F414 HydrophobicContact CH2-CE2 4.28Å; W371-F414 HydrophobicContact CH2-CG 4.18Å; W371-F414 HydrophobicContact CH2-CZ 4.5Å; W371-F414 AromaticContact CZ3-CD1 3.74Å; W371-F414 HydrophobicContact CZ3-CD1 3.74Å; W371-F414 HydrophobicContact CZ3-CD2 4.2Å; W371-F414 AromaticContact CZ3-CE1 3.85Å; W371-F414 HydrophobicContact CZ3-CE1 3.85Å; W371-F414 HydrophobicContact CZ3-CE2 4.31Å; W371-F414 AromaticContact CZ3-CG 3.91Å; W371-F414 HydrophobicContact CZ3-CG 3.91Å; W371-F414 HydrophobicContact CZ3-CZ 4.12Å; N409-F414 HydrophobicContact CB-CZ 4.14Å; V410-F414 WeakPolarHBondContact O-CD2 3.39Å; V410-F414 WeakPolarHBondContact O-CE2 3.49Å; F414-N416 PolarHBondContact O-N 2.81Å; F414-N417 PolarHBondContact O-N 3.22Å; F414-N417 VanDerWaalsContact O-N 3.08Å; F414-V418 HydrophobicContact CD1-CG2 4.12Å; F414-V418 WeakPolarHBondContact O-CB 3.45Å; F414-V418 PolarHBondContact O-N 3.17Å
415Q92.2Very high90.1Very high99 Ų9971.1 Ų71.146%0.46337%0.367SS..Hα-helixtrans-58.6-37.6-179.7-69.2-176.524.900112.8E356E356-Q415 HydrophobicContact CG-CG 4.42Å; E356-Q415 WeakPolarHBondContact OE1-CG 3.24Å; E356-Q415 PolarHBondContact OE1-N 3.43Å
416N92.6Very high90Very high121 Ų12174.2 Ų74.265%0.64738%0.384SS*.Hα-helixtrans-78.2-24179.9-68.3-27.5000112.9S372 F414S372-N416 PolarHBondContact OG-O 3.45Å; F414-N416 PolarHBondContact O-N 2.81Å
417N95.9Very high89.7Confident4 Ų476.6 Ų76.62%0.02139%0.394CS..Hα-helixtrans-110.9-20.9-170.7-76.1-75000115.7W371 S372 S373 Q413 F414W371-N417 HydrophobicContact CD2-CB 3.4Å; W371-N417 VanDerWaalsContact CD2-CB 3.4Å; W371-N417 HydrophobicContact CE3-CB 3.76Å; W371-N417 HydrophobicContact CG-CB 3.88Å; W371-N417 HydrophobicContact CH2-CB 4.05Å; W371-N417 HydrophobicContact CZ2-CB 3.74Å; W371-N417 WeakPolarHBondContact CZ2-ND2 3.21Å; W371-N417 HydrophobicContact CZ3-CB 4.07Å; W371-N417 VanDerWaalsContact NE1-CG 3.33Å; W371-N417 PolarHBondContact NE1-OD1 3.38Å; S372-N417 PolarHBondContact N-O 3.44Å; S372-N417 WeakPolarHBondContact OG-CA 3.28Å; S372-N417 PolarHBondContact OG-OD1 2.67Å; S373-N417 WeakPolarHBondContact CB-OD1 3.26Å; S373-N417 PolarHBondContact N-OD1 2.7Å; S373-N417 PolarHBondContact OG-OD1 3.01Å; Q413-N417 WeakPolarHBondContact O-CB 3.4Å; Q413-N417 PolarHBondContact O-N 3.25Å; Q413-N417 PolarHBondContact O-ND2 3.08Å; F414-N417 PolarHBondContact O-N 3.22Å; F414-N417 VanDerWaalsContact O-N 3.08Å
418V96.6Very high89.7Confident0 Ų080 Ų800%041%0.409CS..SBendtrans-117.682.1-175.7-171.60000108.7Y351 F353 F366 T367 V370 W371 F414Y351-V418 HydrophobicContact CD1-CG1 3.8Å; Y351-V418 HydrophobicContact CE1-CB 3.87Å; Y351-V418 HydrophobicContact CE1-CG1 3.26Å; Y351-V418 HydrophobicContact CE2-CG1 4.43Å; F353-V418 HydrophobicContact CE1-CG1 4.4Å; F366-V418 HydrophobicContact CE1-CG1 3.71Å; F366-V418 HydrophobicContact CZ-CG1 4.15Å; T367-V418 HydrophobicContact CG2-CG1 4.15Å; T367-V418 HydrophobicContact CG2-CG2 4.05Å; V370-V418 HydrophobicContact CG2-CB 4.48Å; V370-V418 HydrophobicContact CG2-CG1 3.75Å; W371-V418 HydrophobicContact CE3-CG2 3.77Å; W371-V418 HydrophobicContact CZ3-CG2 3.93Å; F414-V418 HydrophobicContact CD1-CG2 4.12Å; F414-V418 WeakPolarHBondContact O-CB 3.45Å; F414-V418 PolarHBondContact O-N 3.17Å
419K95.3Very high89.4Confident96 Ų9684.8 Ų84.842%0.41743%0.431SS..PPolyproline II helixtrans-78.8157.9-178-63176.7-175.4173.50110.9H280 F353H280-K419 PolarHBondContact ND1-O 3.45Å; H280-K419 WeakPolarHBondContact O-CB 3.36Å; F353-K419 WeakPolarHBondContact CE1-O 3.19Å
420K94.7Very high89.2Confident114 Ų11488.4 Ų88.450%0.49645%0.449SS..PPolyproline II helixtrans-65.1154.4167.9-73.9-178.9179.51790110.4F353 I422F353-K420 HydrophobicContact CB-CD 4.04Å; F353-K420 HydrophobicContact CB-CG 3.48Å; F353-K420 VanDerWaalsContact CB-CG 3.48Å; F353-K420 HydrophobicContact CD1-CB 4.27Å; F353-K420 HydrophobicContact CD1-CG 3.58Å; F353-K420 HydrophobicContact CD2-CG 3.91Å; F353-K420 HydrophobicContact CE1-CG 4.28Å; F353-K420 HydrophobicContact CG-CB 4.47Å; F353-K420 HydrophobicContact CG-CD 4.3Å; F353-K420 HydrophobicContact CG-CG 3.37Å; K420-I422 PolarHBondContact O-N 3.15Å
421A92.6Very high89.5Confident50 Ų5091.3 Ų91.341%0.41346%0.46SS..PPolyproline II helixtrans-59.9134.9170.900000110.5Q279 K423Q279-A421 CarbonylContact O-C 3.53Å; Q279-A421 WeakPolarHBondContact O-CA 3.26Å; A421-K423 PolarHBondContact O-N 2.84Å
422I88.6Confident90.4Very high115 Ų11586.9 Ų86.959%0.5944%0.436SS*.PPolyproline II helixtrans-70.4119.3171.6-55.5172000106Q279 K420Q279-I422 PolarHBondContact O-N 2.94Å; K420-I422 PolarHBondContact O-N 3.15Å
423K68.2Low90.9Very high272 Ų27286.8 Ų86.8100%1.18342%0.42SS*.  trans-67.40176.9-76.7-172.2176-175.70112A421A421-K423 PolarHBondContact O-N 2.84Å

Retrieved 423 of 423 residues in 134.5 ms (Link to these results)

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