A0A3Q0KVJ7_SCHMA Loading...

Tubulin--tyrosine ligase-like protein 9

AlphaFold DB , UniProt , Accession A0A3Q0KVJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 435 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
1M45.1Very low82.2Confident242 Ų24279.2 Ų79.2100%1.19245%0.447SS*.  01300-64.3177.7-153.800106.6V3M1-V3 PolarHBondContact O-N 3.11Å
2S65.8Low82.6Confident116 Ų11677.6 Ų77.681%0.81144%0.435SS*.PPolyproline II helixtrans-61133.1171.750.80000108.6
3V68.2Low82.8Confident120 Ų12080.8 Ų80.873%0.72747%0.465SS*.PPolyproline II helixtrans-54.1128170.4-178.70000107.1M1M1-V3 PolarHBondContact O-N 3.11Å
4P79Confident83.4Confident101 Ų10176.1 Ų76.166%0.65644%0.438SS*.PPolyproline II helixtrans-58144.1177.524.7-33.1000109.4I6P4-I6 PolarHBondContact O-N 3.2Å
5P86.5Confident84.1Confident70 Ų7071.4 Ų71.446%0.45541%0.411SS..PPolyproline II helixtrans-60.7136.5177.826.3-34.1000109.8R7 I26P5-R7 PolarHBondContact O-N 3.48Å; P5-I26 HydrophobicContact CB-CD1 3.89Å; P5-I26 HydrophobicContact CB-CG1 4Å; P5-I26 HydrophobicContact CG-CD1 3.34Å; P5-I26 HydrophobicContact CG-CG1 4.03Å
6I93.8Very high84.7Confident17 Ų1766.9 Ų66.99%0.08739%0.385CS..PPolyproline II helixtrans-63.4132176.9-68.9163.8000108.8P4 W25 I26 D35 F36 L351 E352P4-I6 PolarHBondContact O-N 3.2Å; I6-W25 HydrophobicContact CB-CB 4.5Å; I6-W25 HydrophobicContact CB-CD2 3.79Å; I6-W25 HydrophobicContact CB-CE3 4.31Å; I6-W25 HydrophobicContact CB-CG 3.86Å; I6-W25 HydrophobicContact CD1-CD2 4.32Å; I6-W25 HydrophobicContact CD1-CH2 4.36Å; I6-W25 HydrophobicContact CD1-CZ2 3.58Å; I6-W25 HydrophobicContact CG2-CD2 3.63Å; I6-W25 HydrophobicContact CG2-CE3 3.62Å; I6-W25 HydrophobicContact CG2-CG 4.14Å; I6-W25 HydrophobicContact CG2-CH2 4.34Å; I6-W25 HydrophobicContact CG2-CZ2 4.32Å; I6-W25 HydrophobicContact CG2-CZ3 4Å; I6-W25 CarbonylContact O-C 3.52Å; I6-W25 WeakPolarHBondContact O-CA 3.38Å; I6-W25 VanDerWaalsContact O-CB 3.31Å; I6-W25 WeakPolarHBondContact O-CB 3.47Å; I6-I26 PolarHBondContact O-N 3.35Å; I6-D35 HydrophobicContact CG2-CB 4.21Å; I6-F36 HydrophobicContact CG2-CB 4.3Å; I6-L351 HydrophobicContact CD1-CB 3.53Å; I6-L351 HydrophobicContact CG1-CB 4.47Å; I6-L351 HydrophobicContact CG2-CD2 4.12Å; I6-E352 HydrophobicContact CD1-CB 4.5Å; I6-E352 HydrophobicContact CD1-CG 3.3Å
7R95.1Very high85.3Confident84 Ų8464.2 Ų64.232%0.31737%0.369SS..EExtended strand (participates in β ladder)trans-95131.2175.5-62.6166.4-64.2166.28.7109.5P5 I26 V28 E33 D35 F36P5-R7 PolarHBondContact O-N 3.48Å; R7-I26 CarbonylContact C-O 3.32Å; R7-I26 VanDerWaalsContact CA-O 3.25Å; R7-I26 WeakPolarHBondContact CA-O 3.49Å; R7-I26 HydrophobicContact CG-CB 4.46Å; R7-V28 HydrophobicContact CB-CG1 3.79Å; R7-V28 HydrophobicContact CB-CG2 4.36Å; R7-V28 HydrophobicContact CG-CG1 4.02Å; R7-E33 VanDerWaalsContact CB-O 3.28Å; R7-E33 WeakPolarHBondContact CB-O 3.24Å; R7-E33 VanDerWaalsContact CD-O 3.25Å; R7-E33 WeakPolarHBondContact CD-O 3.44Å; R7-E33 PolarHBondContact NE-O 3.17Å; R7-E33 PolarHBondContact NH1-O 2.86Å; R7-D35 VanDerWaalsContact CB-OD2 3.29Å; R7-D35 WeakPolarHBondContact CB-OD2 3.29Å; R7-D35 IonicContact CZ-OD1 3.66Å; R7-D35 IonicContact CZ-OD2 3.06Å; R7-D35 PolarHBondContact N-OD2 3.09Å; R7-D35 IonicContact NE-OD1 3.4Å; R7-D35 IonicContact NE-OD2 2.8Å; R7-D35 PolarHBondContact NE-OD2 2.81Å; R7-D35 IonicContact NH2-OD1 3.16Å; R7-D35 PolarHBondContact NH2-OD1 3.28Å; R7-D35 IonicContact NH2-OD2 3.65Å; R7-D35 WeakPolarHBondContact O-CA 3.37Å; R7-D35 WeakPolarHBondContact O-CB 3.33Å; R7-D35 PolarHBondContact O-N 3.07Å; R7-F36 PolarHBondContact O-N 3.48Å
8F95.4Very high85.8Confident0 Ų063.7 Ų63.70%037%0.365CS..EExtended strand (participates in β ladder)trans-125.8152.7-179.279.8-91.3000112.6C10 L17 L20 R21 W25 I26 E27 V28 F36F8-C10 HydrophobicContact CD2-CB 4.18Å; F8-C10 HydrophobicContact CE2-CB 4.14Å; F8-L17 HydrophobicContact CE2-CD1 3.78Å; F8-L17 HydrophobicContact CZ-CD1 4.07Å; F8-L20 HydrophobicContact CD1-CB 4.14Å; F8-L20 HydrophobicContact CD2-CB 4.06Å; F8-L20 HydrophobicContact CD2-CD1 3.55Å; F8-L20 HydrophobicContact CD2-CG 4.31Å; F8-L20 HydrophobicContact CE1-CB 3.92Å; F8-L20 HydrophobicContact CE2-CB 3.86Å; F8-L20 HydrophobicContact CE2-CD1 3.82Å; F8-L20 HydrophobicContact CE2-CG 4.47Å; F8-L20 HydrophobicContact CG-CB 4.18Å; F8-L20 HydrophobicContact CG-CD1 4.13Å; F8-L20 HydrophobicContact CZ-CB 3.77Å; F8-R21 HydrophobicContact CZ-CG 4.15Å; F8-W25 HydrophobicContact CB-CE3 4.22Å; F8-W25 HydrophobicContact CD1-CB 3.6Å; F8-W25 HydrophobicContact CE1-CB 4.12Å; F8-W25 WeakPolarHBondContact CE1-O 3.37Å; F8-I26 WeakPolarHBondContact CD1-O 3.26Å; F8-I26 PolarHBondContact N-O 3.17Å; F8-E27 HydrophobicContact CD2-CG 4.5Å; F8-E27 HydrophobicContact CE1-CB 3.8Å; F8-E27 HydrophobicContact CE1-CG 4.49Å; F8-E27 HydrophobicContact CE2-CB 4.01Å; F8-E27 HydrophobicContact CE2-CG 3.78Å; F8-E27 HydrophobicContact CZ-CB 3.52Å; F8-E27 HydrophobicContact CZ-CG 3.79Å; F8-E27 CarbonylContact O-C 3.41Å; F8-E27 WeakPolarHBondContact O-CA 2.88Å; F8-V28 WeakPolarHBondContact O-CG2 3.37Å; F8-V28 PolarHBondContact O-N 3.31Å; F8-F36 WeakPolarHBondContact CA-O 3.46Å; F8-F36 HydrophobicContact CB-CB 4.23Å; F8-F36 HydrophobicContact CB-CD1 4.14Å; F8-F36 WeakPolarHBondContact CB-O 3.44Å
9K93.9Very high86.3Confident44 Ų4460.4 Ų60.419%0.19135%0.346CS..EExtended strand (participates in β ladder)trans-123.4140.9164.9-171.8175.3178.41760108.2V28 L29 E31 C34 F36 F37 W38K9-V28 HydrophobicContact CB-CG2 4.48Å; K9-L29 WeakPolarHBondContact CE-O 3.29Å; K9-L29 PolarHBondContact NZ-O 3.25Å; K9-L29 VanDerWaalsContact NZ-O 3.17Å; K9-E31 HydrophobicContact CD-CG 3.72Å; K9-E31 IonicContact NZ-OE1 3.81Å; K9-E31 PolarHBondContact NZ-OE1 2.97Å; K9-C34 HydrophobicContact CB-CB 4.29Å; K9-C34 VanDerWaalsContact CB-SG 3.6Å; K9-C34 PolarHBondContact N-SG 3.46Å; K9-F36 PolarHBondContact N-O 3.38Å; K9-F37 HydrophobicContact CB-CD2 3.81Å; K9-F37 HydrophobicContact CB-CE2 3.95Å; K9-F37 HydrophobicContact CB-CG 4.41Å; K9-F37 HydrophobicContact CD-CD2 4.44Å; K9-F37 HydrophobicContact CD-CE1 4.38Å; K9-F37 HydrophobicContact CD-CE2 3.83Å; K9-F37 HydrophobicContact CD-CZ 3.81Å; K9-F37 HydrophobicContact CG-CD2 4.09Å; K9-F37 HydrophobicContact CG-CE2 3.67Å; K9-F37 HydrophobicContact CG-CZ 4.19Å; K9-F37 VanDerWaalsContact O-CD2 3.32Å; K9-F37 WeakPolarHBondContact O-CD2 3.39Å; K9-W38 PolarHBondContact O-N 3.03Å
10C93.1Very high86.8Confident20 Ų2057.4 Ų57.414%0.13533%0.329CS..EExtended strand (participates in β ladder)trans-136.3125.3179.4-174.30000110F8 M12 L17 L20 W38F8-C10 HydrophobicContact CD2-CB 4.18Å; F8-C10 HydrophobicContact CE2-CB 4.14Å; C10-M12 VanDerWaalsContact C-N 3.3Å; C10-M12 PolarHBondContact SG-N 2.92Å; C10-M12 VanDerWaalsContact SG-N 3.44Å; C10-M12 PolarHBondContact SG-O 3.42Å; C10-L17 HydrophobicContact CB-CD1 4.28Å; C10-L20 HydrophobicContact CB-CD1 4.16Å; C10-W38 CarbonylContact C-O 3.57Å; C10-W38 VanDerWaalsContact CA-O 3.31Å; C10-W38 WeakPolarHBondContact CA-O 3.37Å; C10-W38 HydrophobicContact CB-CB 4.41Å
11T88.7Confident87.2Confident57 Ų5760.7 Ų60.735%0.3534%0.336SS..SBendtrans-82.9-8175.365.70000113.2F37 W38 C39 D40 T43T11-F37 HydrophobicContact CG2-CE2 3.77Å; T11-F37 HydrophobicContact CG2-CZ 4.03Å; T11-W38 PolarHBondContact N-O 3.06Å; T11-C39 HydrophobicContact CG2-CB 4.21Å; T11-D40 PolarHBondContact OG1-N 3.45Å; T11-D40 VanDerWaalsContact OG1-N 3.1Å; T11-D40 PolarHBondContact OG1-OD2 2.92Å; T11-T43 HydrophobicContact CG2-CG2 4.38Å
12M86.2Confident89.5Confident60 Ų6053.6 Ų53.630%0.29630%0.303SS..  trans-112.1137.2-174.9-55-16986.500112.7C10 N14 I16C10-M12 VanDerWaalsContact C-N 3.3Å; C10-M12 PolarHBondContact SG-N 2.92Å; C10-M12 VanDerWaalsContact SG-N 3.44Å; C10-M12 PolarHBondContact SG-O 3.42Å; M12-N14 WeakPolarHBondContact CE-ND2 3.39Å; M12-N14 PolarHBondContact O-N 3.12Å; M12-I16 HydrophobicContact CB-CG2 4.32Å
13S86.3Confident90.7Very high119 Ų11950.4 Ų50.483%0.83227%0.273SS*.  trans-99.447175.350.60000112.6
14N90.7Very high91.9Very high15 Ų1547.2 Ų47.28%0.0826%0.264CS..SBendtrans-118.2-165.2179.169.842.3000111.6M12 I16 L17M12-N14 WeakPolarHBondContact CE-ND2 3.39Å; M12-N14 PolarHBondContact O-N 3.12Å; N14-I16 PolarHBondContact O-N 3.25Å; N14-I16 WeakPolarHBondContact OD1-CG2 3.44Å; N14-I16 PolarHBondContact OD1-N 2.9Å; N14-I16 VanDerWaalsContact OD1-N 3.08Å; N14-L17 WeakPolarHBondContact O-CB 3.36Å; N14-L17 PolarHBondContact O-N 3.3Å
15T93Very high92.6Very high6 Ų643 Ų434%0.03724%0.235CC..Hα-helixtrans-52.6-26.3-17653.90000114.5L17 D18 V19 L327 A329 Y335 K338 T339 L342T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 3.17Å; T15-D18 PolarHBondContact O-N 3.16Å; T15-V19 WeakPolarHBondContact O-CG2 3.45Å; T15-V19 PolarHBondContact O-N 2.88Å; T15-L327 VanDerWaalsContact CG2-O 3.28Å; T15-L327 WeakPolarHBondContact CG2-O 3.28Å; T15-L327 PolarHBondContact OG1-O 3.47Å; T15-A329 HydrophobicContact CG2-CB 4.16Å; T15-Y335 HydrophobicContact CG2-CD2 3.74Å; T15-Y335 HydrophobicContact CG2-CE2 3.84Å; T15-K338 HydrophobicContact CG2-CB 4.24Å; T15-T339 HydrophobicContact CG2-CG2 4.33Å; T15-L342 WeakPolarHBondContact OG1-CD1 3.5Å
16I94.4Very high93Very high0 Ų043.7 Ų43.70%023%0.234CC..Hα-helixtrans-62.9-39.5174.9-171.754000112.5M12 N14 D18 V19 L20 W38 L327 L342 M345M12-I16 HydrophobicContact CB-CG2 4.32Å; N14-I16 PolarHBondContact O-N 3.25Å; N14-I16 WeakPolarHBondContact OD1-CG2 3.44Å; N14-I16 PolarHBondContact OD1-N 2.9Å; N14-I16 VanDerWaalsContact OD1-N 3.08Å; I16-D18 VanDerWaalsContact C-N 3.32Å; I16-D18 PolarHBondContact O-N 3.44Å; I16-V19 PolarHBondContact O-N 2.8Å; I16-L20 HydrophobicContact CD1-CD1 4.26Å; I16-L20 HydrophobicContact CD1-CD2 4.44Å; I16-L20 HydrophobicContact CD1-CG 4.07Å; I16-L20 HydrophobicContact CG1-CD1 3.89Å; I16-L20 HydrophobicContact CG1-CG 4.2Å; I16-L20 WeakPolarHBondContact O-CG 3.04Å; I16-L20 PolarHBondContact O-N 2.59Å; I16-W38 HydrophobicContact CD1-CD2 4.33Å; I16-W38 HydrophobicContact CD1-CE3 4.13Å; I16-W38 HydrophobicContact CD1-CZ3 4.35Å; I16-W38 HydrophobicContact CG1-CB 4.47Å; I16-W38 HydrophobicContact CG1-CD2 3.69Å; I16-W38 HydrophobicContact CG1-CE3 4Å; I16-W38 HydrophobicContact CG1-CG 3.9Å; I16-W38 HydrophobicContact CG2-CG 4.29Å; I16-L327 HydrophobicContact CB-CD1 4.43Å; I16-L342 HydrophobicContact CB-CD1 4.05Å; I16-L342 HydrophobicContact CD1-CB 4.21Å; I16-L342 HydrophobicContact CD1-CD1 4.33Å; I16-L342 HydrophobicContact CD1-CD2 4.2Å; I16-L342 HydrophobicContact CD1-CG 4.47Å; I16-M345 HydrophobicContact CD1-CE 4.38Å
17L94.6Very high93.1Very high20 Ų2047 Ų4711%0.10525%0.249CC..Hα-helixtrans-65.4-39.9179.5-177.760000110.9F8 C10 N14 T15 R21F8-L17 HydrophobicContact CE2-CD1 3.78Å; F8-L17 HydrophobicContact CZ-CD1 4.07Å; C10-L17 HydrophobicContact CB-CD1 4.28Å; N14-L17 WeakPolarHBondContact O-CB 3.36Å; N14-L17 PolarHBondContact O-N 3.3Å; T15-L17 VanDerWaalsContact C-N 3.34Å; T15-L17 PolarHBondContact O-N 3.17Å; L17-R21 WeakPolarHBondContact O-CB 3.33Å; L17-R21 WeakPolarHBondContact O-CG 3.49Å; L17-R21 PolarHBondContact O-N 3.37Å
18D94.9Very high93Very high56 Ų5643.6 Ų43.630%0.29924%0.238SC..Hα-helixtrans-61.6-46174.9-64.8-17.5000111T15 I16 R21 N22 Y335T15-D18 PolarHBondContact O-N 3.16Å; I16-D18 VanDerWaalsContact C-N 3.32Å; I16-D18 PolarHBondContact O-N 3.44Å; D18-R21 PolarHBondContact O-N 3.35Å; D18-N22 VanDerWaalsContact O-CB 3.27Å; D18-N22 WeakPolarHBondContact O-CB 3.12Å; D18-N22 PolarHBondContact O-N 3.03Å; D18-N22 PolarHBondContact O-ND2 2.83Å; D18-Y335 WeakPolarHBondContact OD2-CE2 3.47Å; D18-Y335 PolarHBondContact OD2-OH 3.09Å
19V95.5Very high92.7Very high0 Ų051 Ų510%028%0.277CS..Hα-helixtrans-62.3-49.7179171.20000110.7T15 I16 R21 N22 R23 T339 L342 D343 L346T15-V19 WeakPolarHBondContact O-CG2 3.45Å; T15-V19 PolarHBondContact O-N 2.88Å; I16-V19 PolarHBondContact O-N 2.8Å; V19-R21 VanDerWaalsContact C-N 3.31Å; V19-R21 PolarHBondContact O-N 3.04Å; V19-N22 PolarHBondContact O-N 3.16Å; V19-N22 VanDerWaalsContact O-N 3.1Å; V19-R23 WeakPolarHBondContact O-CG 3.24Å; V19-R23 PolarHBondContact O-N 2.63Å; V19-T339 HydrophobicContact CG2-CG2 3.95Å; V19-L342 HydrophobicContact CB-CB 4.46Å; V19-L342 HydrophobicContact CG1-CB 4.34Å; V19-L342 HydrophobicContact CG2-CB 4.12Å; V19-D343 HydrophobicContact CG1-CB 4.15Å; V19-L346 HydrophobicContact CG1-CD1 3.77Å
20L95.6Very high92.3Very high0 Ų056.7 Ų56.70%030%0.297CS..Hα-helixtrans-57.6-43.3179.5-66.8169.7000111.9F8 C10 I16 R23 W25 F36 L346F8-L20 HydrophobicContact CD1-CB 4.14Å; F8-L20 HydrophobicContact CD2-CB 4.06Å; F8-L20 HydrophobicContact CD2-CD1 3.55Å; F8-L20 HydrophobicContact CD2-CG 4.31Å; F8-L20 HydrophobicContact CE1-CB 3.92Å; F8-L20 HydrophobicContact CE2-CB 3.86Å; F8-L20 HydrophobicContact CE2-CD1 3.82Å; F8-L20 HydrophobicContact CE2-CG 4.47Å; F8-L20 HydrophobicContact CG-CB 4.18Å; F8-L20 HydrophobicContact CG-CD1 4.13Å; F8-L20 HydrophobicContact CZ-CB 3.77Å; C10-L20 HydrophobicContact CB-CD1 4.16Å; I16-L20 HydrophobicContact CD1-CD1 4.26Å; I16-L20 HydrophobicContact CD1-CD2 4.44Å; I16-L20 HydrophobicContact CD1-CG 4.07Å; I16-L20 HydrophobicContact CG1-CD1 3.89Å; I16-L20 HydrophobicContact CG1-CG 4.2Å; I16-L20 WeakPolarHBondContact O-CG 3.04Å; I16-L20 PolarHBondContact O-N 2.59Å; L20-R23 PolarHBondContact O-N 3.21Å; L20-W25 HydrophobicContact CD2-CE3 3.51Å; L20-W25 HydrophobicContact CD2-CZ3 3.53Å; L20-W25 PolarHBondContact O-N 2.63Å; L20-F36 HydrophobicContact CD1-CD1 4.44Å; L20-F36 HydrophobicContact CD1-CE1 4.13Å; L20-F36 HydrophobicContact CD2-CD1 3.83Å; L20-F36 HydrophobicContact CD2-CE1 3.62Å; L20-L346 HydrophobicContact CD2-CD1 3.78Å; L20-L346 HydrophobicContact CD2-CD2 4.35Å
21R94.7Very high91.9Very high127 Ų12758.3 Ų58.348%0.47930%0.302SS..Hα-helixtrans-65.6-42175.2-72.8174.3175.5168.5-0.5112.5F8 L17 D18 V19 R23 G24 E27F8-R21 HydrophobicContact CZ-CG 4.15Å; L17-R21 WeakPolarHBondContact O-CB 3.33Å; L17-R21 WeakPolarHBondContact O-CG 3.49Å; L17-R21 PolarHBondContact O-N 3.37Å; D18-R21 PolarHBondContact O-N 3.35Å; V19-R21 VanDerWaalsContact C-N 3.31Å; V19-R21 PolarHBondContact O-N 3.04Å; R21-R23 VanDerWaalsContact C-N 3.27Å; R21-R23 PolarHBondContact O-N 3.37Å; R21-G24 PolarHBondContact O-N 3.34Å; R21-E27 IonicContact CZ-OE2 3.81Å; R21-E27 IonicContact NE-OE2 3.41Å; R21-E27 PolarHBondContact NE-OE2 2.82Å; R21-E27 VanDerWaalsContact NE-OE2 3.16Å; R21-E27 IonicContact NH2-OE1 3.66Å; R21-E27 IonicContact NH2-OE2 2.76Å; R21-E27 PolarHBondContact NH2-OE2 3.05Å
22N93.6Very high91.7Very high93 Ų9361 Ų6150%0.49731%0.311SS..Hα-helixtrans-68.4-24.5-179.3-72.4-26.6000113.2D18 V19 G24 Y429D18-N22 VanDerWaalsContact O-CB 3.27Å; D18-N22 WeakPolarHBondContact O-CB 3.12Å; D18-N22 PolarHBondContact O-N 3.03Å; D18-N22 PolarHBondContact O-ND2 2.83Å; V19-N22 PolarHBondContact O-N 3.16Å; V19-N22 VanDerWaalsContact O-N 3.1Å; N22-G24 PolarHBondContact O-N 3.31Å; N22-Y429 HydrophobicContact CB-CE1 3.78Å; N22-Y429 VanDerWaalsContact ND2-CE1 3.32Å; N22-Y429 WeakPolarHBondContact ND2-CE1 3.4Å
23R92.2Very high91.7Very high49 Ų4962 Ų6219%0.18532%0.315CS..THydrogen-bonded Turntrans-72.9-8.4171-63.5-16590.1110.6-0.8113.7V19 L20 R21 W25 D343 D347 E352V19-R23 WeakPolarHBondContact O-CG 3.24Å; V19-R23 PolarHBondContact O-N 2.63Å; L20-R23 PolarHBondContact O-N 3.21Å; R21-R23 VanDerWaalsContact C-N 3.27Å; R21-R23 PolarHBondContact O-N 3.37Å; R23-W25 VanDerWaalsContact C-N 3.32Å; R23-W25 HydrophobicContact CB-CG 4.25Å; R23-D343 IonicContact CZ-OD1 3.11Å; R23-D343 IonicContact NE-OD1 3.92Å; R23-D343 VanDerWaalsContact NH1-CG 3.31Å; R23-D343 PolarHBondContact NH1-O 3.42Å; R23-D343 IonicContact NH1-OD1 3.77Å; R23-D343 PolarHBondContact NH1-OD1 3.2Å; R23-D343 IonicContact NH1-OD2 2.78Å; R23-D347 IonicContact CZ-OD1 3.49Å; R23-D347 IonicContact NH1-OD1 2.65Å; R23-D347 IonicContact NH2-OD1 3.84Å; R23-D347 PolarHBondContact NH2-OD1 2.89Å; R23-D347 IonicContact NH2-OD2 2.67Å; R23-E352 IonicContact NE-OE2 2.8Å; R23-E352 IonicContact NH2-OE2 3.24Å; R23-E352 PolarHBondContact NH2-OE2 3.46Å
24G92.6Very high91.9Very high53 Ų5356.3 Ų56.355%0.54628%0.275SS..THydrogen-bonded Turntrans76.917.6-176.200000113.8R21 N22R21-G24 PolarHBondContact O-N 3.34Å; N22-G24 PolarHBondContact O-N 3.31Å
25W94.6Very high92.1Very high14 Ų1456.7 Ų56.75%0.05328%0.277CS..PPolyproline II helixtrans-72.9152.2172-64.56.3000110.2I6 F8 L20 R23 F36 L346 L351 E352I6-W25 HydrophobicContact CB-CB 4.5Å; I6-W25 HydrophobicContact CB-CD2 3.79Å; I6-W25 HydrophobicContact CB-CE3 4.31Å; I6-W25 HydrophobicContact CB-CG 3.86Å; I6-W25 HydrophobicContact CD1-CD2 4.32Å; I6-W25 HydrophobicContact CD1-CH2 4.36Å; I6-W25 HydrophobicContact CD1-CZ2 3.58Å; I6-W25 HydrophobicContact CG2-CD2 3.63Å; I6-W25 HydrophobicContact CG2-CE3 3.62Å; I6-W25 HydrophobicContact CG2-CG 4.14Å; I6-W25 HydrophobicContact CG2-CH2 4.34Å; I6-W25 HydrophobicContact CG2-CZ2 4.32Å; I6-W25 HydrophobicContact CG2-CZ3 4Å; I6-W25 CarbonylContact O-C 3.52Å; I6-W25 WeakPolarHBondContact O-CA 3.38Å; I6-W25 VanDerWaalsContact O-CB 3.31Å; I6-W25 WeakPolarHBondContact O-CB 3.47Å; F8-W25 HydrophobicContact CB-CE3 4.22Å; F8-W25 HydrophobicContact CD1-CB 3.6Å; F8-W25 HydrophobicContact CE1-CB 4.12Å; F8-W25 WeakPolarHBondContact CE1-O 3.37Å; L20-W25 HydrophobicContact CD2-CE3 3.51Å; L20-W25 HydrophobicContact CD2-CZ3 3.53Å; L20-W25 PolarHBondContact O-N 2.63Å; R23-W25 VanDerWaalsContact C-N 3.32Å; R23-W25 HydrophobicContact CB-CG 4.25Å; W25-F36 HydrophobicContact CE3-CB 4.39Å; W25-F36 HydrophobicContact CE3-CD1 4.42Å; W25-F36 HydrophobicContact CE3-CG 4.49Å; W25-F36 HydrophobicContact CZ3-CB 3.87Å; W25-F36 AromaticContact CZ3-CD1 3.8Å; W25-F36 HydrophobicContact CZ3-CD1 3.8Å; W25-F36 HydrophobicContact CZ3-CD2 4.16Å; W25-F36 HydrophobicContact CZ3-CE1 4.33Å; W25-F36 AromaticContact CZ3-CG 3.68Å; W25-F36 HydrophobicContact CZ3-CG 3.68Å; W25-L346 HydrophobicContact CH2-CB 4.48Å; W25-L346 HydrophobicContact CH2-CD1 4.34Å; W25-L346 HydrophobicContact CH2-CD2 3.73Å; W25-L346 HydrophobicContact CH2-CG 4.39Å; W25-L346 HydrophobicContact CZ3-CD1 4.5Å; W25-L346 HydrophobicContact CZ3-CD2 3.98Å; W25-L351 HydrophobicContact CH2-CB 4.33Å; W25-L351 HydrophobicContact CH2-CD1 3.84Å; W25-L351 HydrophobicContact CZ2-CB 4.43Å; W25-L351 HydrophobicContact CZ3-CD1 4.49Å; W25-E352 HydrophobicContact CZ2-CG 4.49Å; W25-E352 PolarHBondContact NE1-OE1 3.24Å
26I94.8Very high92.2Very high83 Ų8356.4 Ų56.443%0.42628%0.276SS..EExtended strand (participates in β ladder)trans-95.1121.6-175.6-63.9-178.6000110P5 I6 R7 F8 V28P5-I26 HydrophobicContact CB-CD1 3.89Å; P5-I26 HydrophobicContact CB-CG1 4Å; P5-I26 HydrophobicContact CG-CD1 3.34Å; P5-I26 HydrophobicContact CG-CG1 4.03Å; I6-I26 PolarHBondContact O-N 3.35Å; R7-I26 CarbonylContact C-O 3.32Å; R7-I26 VanDerWaalsContact CA-O 3.25Å; R7-I26 WeakPolarHBondContact CA-O 3.49Å; R7-I26 HydrophobicContact CG-CB 4.46Å; F8-I26 WeakPolarHBondContact CD1-O 3.26Å; F8-I26 PolarHBondContact N-O 3.17Å; I26-V28 HydrophobicContact CG2-CG1 4.47Å
27E95.1Very high92.2Very high86 Ų8656.4 Ų56.440%0.40228%0.276SS..EExtended strand (participates in β ladder)trans-72.5126.8174.2-166.7169.9176.700110.4F8 R21F8-E27 HydrophobicContact CD2-CG 4.5Å; F8-E27 HydrophobicContact CE1-CB 3.8Å; F8-E27 HydrophobicContact CE1-CG 4.49Å; F8-E27 HydrophobicContact CE2-CB 4.01Å; F8-E27 HydrophobicContact CE2-CG 3.78Å; F8-E27 HydrophobicContact CZ-CB 3.52Å; F8-E27 HydrophobicContact CZ-CG 3.79Å; F8-E27 CarbonylContact O-C 3.41Å; F8-E27 WeakPolarHBondContact O-CA 2.88Å; R21-E27 IonicContact CZ-OE2 3.81Å; R21-E27 IonicContact NE-OE2 3.41Å; R21-E27 PolarHBondContact NE-OE2 2.82Å; R21-E27 VanDerWaalsContact NE-OE2 3.16Å; R21-E27 IonicContact NH2-OE1 3.66Å; R21-E27 IonicContact NH2-OE2 2.76Å; R21-E27 PolarHBondContact NH2-OE2 3.05Å
28V93.7Very high92.1Very high14 Ų1455.5 Ų55.59%0.08527%0.271CS..  trans-117.3151.3177.2-63.20000111.6R7 F8 K9 I26 E33 C34R7-V28 HydrophobicContact CB-CG1 3.79Å; R7-V28 HydrophobicContact CB-CG2 4.36Å; R7-V28 HydrophobicContact CG-CG1 4.02Å; F8-V28 WeakPolarHBondContact O-CG2 3.37Å; F8-V28 PolarHBondContact O-N 3.31Å; K9-V28 HydrophobicContact CB-CG2 4.48Å; I26-V28 HydrophobicContact CG2-CG1 4.47Å; V28-E33 HydrophobicContact CB-CB 4.2Å; V28-E33 HydrophobicContact CG1-CB 4.24Å; V28-E33 HydrophobicContact CG2-CB 4.25Å; V28-C34 HydrophobicContact CG2-CB 3.96Å
29L88.9Confident91.9Very high155 Ų15552.8 Ų52.881%0.81226%0.256SS*.SBendtrans-87-37.9-179.3-62.9176000112.5K9K9-L29 WeakPolarHBondContact CE-O 3.29Å; K9-L29 PolarHBondContact NZ-O 3.25Å; K9-L29 VanDerWaalsContact NZ-O 3.17Å
30R86.2Confident91.6Very high163 Ų16355 Ų5562%0.61527%0.268SS*.SBendtrans-93.6137-175.2-63.2-177.3179.2-173.60.9110.7E32 E33R30-E32 VanDerWaalsContact C-N 3.25Å; R30-E32 PolarHBondContact O-N 3.08Å; R30-E33 HydrophobicContact CB-CG 4.31Å; R30-E33 PolarHBondContact O-N 3.27Å
31E83.4Confident91.1Very high54 Ų5457.3 Ų57.325%0.25228%0.283SS..G310 helixtrans-65.8-30.2179.1-76.9153-152.400112.9K9 E33 C34 F37 L47K9-E31 HydrophobicContact CD-CG 3.72Å; K9-E31 IonicContact NZ-OE1 3.81Å; K9-E31 PolarHBondContact NZ-OE1 2.97Å; E31-E33 PolarHBondContact O-N 2.99Å; E31-C34 WeakPolarHBondContact O-CB 3.27Å; E31-C34 PolarHBondContact O-N 3.28Å; E31-F37 HydrophobicContact CG-CD1 4.23Å; E31-F37 HydrophobicContact CG-CE1 3.6Å; E31-F37 HydrophobicContact CG-CZ 4.15Å; E31-L47 WeakPolarHBondContact OE2-CD2 3.33Å
32E84.6Confident90.7Very high115 Ų11557.8 Ų57.854%0.53729%0.293SS..G310 helixtrans-66.1-22.2177.5-62.9166.3-162.200112.8R30 M53 N55R30-E32 VanDerWaalsContact C-N 3.25Å; R30-E32 PolarHBondContact O-N 3.08Å; E32-M53 HydrophobicContact CG-CG 4.42Å; E32-M53 HydrophobicContact CG-SD 4.48Å; E32-N55 VanDerWaalsContact O-CB 3.31Å; E32-N55 WeakPolarHBondContact O-CB 3.38Å; E32-N55 PolarHBondContact O-ND2 2.95Å
33E86.8Confident90.4Very high79 Ų7954.8 Ų54.837%0.36928%0.278SS..G310 helixtrans-94.6-1.1179.3-64.7170.5-164.900112.3R7 V28 R30 E31R7-E33 VanDerWaalsContact CB-O 3.28Å; R7-E33 WeakPolarHBondContact CB-O 3.24Å; R7-E33 VanDerWaalsContact CD-O 3.25Å; R7-E33 WeakPolarHBondContact CD-O 3.44Å; R7-E33 PolarHBondContact NE-O 3.17Å; R7-E33 PolarHBondContact NH1-O 2.86Å; V28-E33 HydrophobicContact CB-CB 4.2Å; V28-E33 HydrophobicContact CG1-CB 4.24Å; V28-E33 HydrophobicContact CG2-CB 4.25Å; R30-E33 HydrophobicContact CB-CG 4.31Å; R30-E33 PolarHBondContact O-N 3.27Å; E31-E33 PolarHBondContact O-N 2.99Å
34C91.1Very high90.1Very high0 Ų052.8 Ų52.80%027%0.27CS..  trans-93126.3-167.8-173.80000111.4K9 V28 E31 F36 N55 I56K9-C34 HydrophobicContact CB-CB 4.29Å; K9-C34 VanDerWaalsContact CB-SG 3.6Å; K9-C34 PolarHBondContact N-SG 3.46Å; V28-C34 HydrophobicContact CG2-CB 3.96Å; E31-C34 WeakPolarHBondContact O-CB 3.27Å; E31-C34 PolarHBondContact O-N 3.28Å; C34-F36 PolarHBondContact SG-O 3.31Å; C34-N55 CarbonylContact O-C 3.56Å; C34-I56 WeakPolarHBondContact O-CA 3.29Å; C34-I56 PolarHBondContact O-N 3.49Å
35D93.6Very high89.7Confident23 Ų2356.7 Ų56.712%0.12327%0.272CS..SBendtrans-88.9-36.8171.8-50.7-54.3000110.5I6 R7 I57 K58I6-D35 HydrophobicContact CG2-CB 4.21Å; R7-D35 VanDerWaalsContact CB-OD2 3.29Å; R7-D35 WeakPolarHBondContact CB-OD2 3.29Å; R7-D35 IonicContact CZ-OD1 3.66Å; R7-D35 IonicContact CZ-OD2 3.06Å; R7-D35 PolarHBondContact N-OD2 3.09Å; R7-D35 IonicContact NE-OD1 3.4Å; R7-D35 IonicContact NE-OD2 2.8Å; R7-D35 PolarHBondContact NE-OD2 2.81Å; R7-D35 IonicContact NH2-OD1 3.16Å; R7-D35 PolarHBondContact NH2-OD1 3.28Å; R7-D35 IonicContact NH2-OD2 3.65Å; R7-D35 WeakPolarHBondContact O-CA 3.37Å; R7-D35 WeakPolarHBondContact O-CB 3.33Å; R7-D35 PolarHBondContact O-N 3.07Å; D35-I57 HydrophobicContact CB-CD1 4.12Å; D35-I57 HydrophobicContact CB-CG1 4.34Å; D35-I57 WeakPolarHBondContact O-CB 3.34Å; D35-I57 PolarHBondContact O-N 3.14Å; D35-K58 PolarHBondContact O-N 2.95Å; D35-K58 VanDerWaalsContact O-N 3.09Å
36F94.8Very high89.4Confident0 Ų061.2 Ų61.20%029%0.294CS..EExtended strand (participates in β ladder)trans-124.1115.7178.3-179.8-98.6000113.1I6 R7 F8 K9 L20 W25 C34 W38 K58 F301 L346 L351I6-F36 HydrophobicContact CG2-CB 4.3Å; R7-F36 PolarHBondContact O-N 3.48Å; F8-F36 WeakPolarHBondContact CA-O 3.46Å; F8-F36 HydrophobicContact CB-CB 4.23Å; F8-F36 HydrophobicContact CB-CD1 4.14Å; F8-F36 WeakPolarHBondContact CB-O 3.44Å; K9-F36 PolarHBondContact N-O 3.38Å; L20-F36 HydrophobicContact CD1-CD1 4.44Å; L20-F36 HydrophobicContact CD1-CE1 4.13Å; L20-F36 HydrophobicContact CD2-CD1 3.83Å; L20-F36 HydrophobicContact CD2-CE1 3.62Å; W25-F36 HydrophobicContact CE3-CB 4.39Å; W25-F36 HydrophobicContact CE3-CD1 4.42Å; W25-F36 HydrophobicContact CE3-CG 4.49Å; W25-F36 HydrophobicContact CZ3-CB 3.87Å; W25-F36 AromaticContact CZ3-CD1 3.8Å; W25-F36 HydrophobicContact CZ3-CD1 3.8Å; W25-F36 HydrophobicContact CZ3-CD2 4.16Å; W25-F36 HydrophobicContact CZ3-CE1 4.33Å; W25-F36 AromaticContact CZ3-CG 3.68Å; W25-F36 HydrophobicContact CZ3-CG 3.68Å; C34-F36 PolarHBondContact SG-O 3.31Å; F36-W38 HydrophobicContact CE1-CB 3.96Å; F36-W38 HydrophobicContact CE1-CE3 4.22Å; F36-W38 AromaticContact CZ-CE3 3.86Å; F36-W38 HydrophobicContact CZ-CE3 3.86Å; F36-K58 WeakPolarHBondContact CA-O 3.49Å; F36-K58 HydrophobicContact CD2-CB 3.93Å; F36-K58 HydrophobicContact CE2-CB 4.45Å; F36-F301 AromaticContact CE2-CE1 3.62Å; F36-F301 HydrophobicContact CE2-CE1 3.62Å; F36-F301 AromaticContact CE2-CZ 3.58Å; F36-F301 HydrophobicContact CE2-CZ 3.58Å; F36-F301 HydrophobicContact CZ-CE1 4.27Å; F36-F301 AromaticContact CZ-CZ 3.8Å; F36-F301 HydrophobicContact CZ-CZ 3.8Å; F36-L346 HydrophobicContact CD2-CD2 4.47Å; F36-L346 HydrophobicContact CE1-CD2 4.11Å; F36-L346 HydrophobicContact CE2-CD2 3.69Å; F36-L346 HydrophobicContact CZ-CD2 3.47Å; F36-L346 VanDerWaalsContact CZ-CD2 3.47Å; F36-L351 HydrophobicContact CB-CD2 3.77Å; F36-L351 HydrophobicContact CD2-CD1 3.6Å; F36-L351 HydrophobicContact CD2-CD2 4.11Å; F36-L351 HydrophobicContact CE2-CD1 4.13Å; F36-L351 HydrophobicContact CG-CD1 4.46Å; F36-L351 HydrophobicContact CG-CD2 4.41Å
37F94.1Very high88.9Confident0 Ų057.8 Ų57.80%028%0.277CS..EExtended strand (participates in β ladder)trans-110.5109.3178.3-162.1178.8000112.7K9 T11 E31 C39 T43 L47 I56 K58 I59 C60K9-F37 HydrophobicContact CB-CD2 3.81Å; K9-F37 HydrophobicContact CB-CE2 3.95Å; K9-F37 HydrophobicContact CB-CG 4.41Å; K9-F37 HydrophobicContact CD-CD2 4.44Å; K9-F37 HydrophobicContact CD-CE1 4.38Å; K9-F37 HydrophobicContact CD-CE2 3.83Å; K9-F37 HydrophobicContact CD-CZ 3.81Å; K9-F37 HydrophobicContact CG-CD2 4.09Å; K9-F37 HydrophobicContact CG-CE2 3.67Å; K9-F37 HydrophobicContact CG-CZ 4.19Å; K9-F37 VanDerWaalsContact O-CD2 3.32Å; K9-F37 WeakPolarHBondContact O-CD2 3.39Å; T11-F37 HydrophobicContact CG2-CE2 3.77Å; T11-F37 HydrophobicContact CG2-CZ 4.03Å; E31-F37 HydrophobicContact CG-CD1 4.23Å; E31-F37 HydrophobicContact CG-CE1 3.6Å; E31-F37 HydrophobicContact CG-CZ 4.15Å; F37-C39 HydrophobicContact CD1-CB 4.36Å; F37-C39 HydrophobicContact CD2-CB 3.88Å; F37-C39 HydrophobicContact CE1-CB 4.15Å; F37-C39 HydrophobicContact CE2-CB 3.65Å; F37-C39 HydrophobicContact CG-CB 4.25Å; F37-C39 HydrophobicContact CZ-CB 3.78Å; F37-C39 PolarHBondContact O-N 3.08Å; F37-T43 HydrophobicContact CE1-CG2 4.25Å; F37-T43 HydrophobicContact CZ-CG2 3.95Å; F37-L47 HydrophobicContact CD1-CD1 3.62Å; F37-L47 HydrophobicContact CE1-CD1 3.42Å; F37-L47 VanDerWaalsContact CE1-CD1 3.42Å; F37-L47 HydrophobicContact CE1-CD2 4.25Å; F37-L47 HydrophobicContact CE1-CG 4.37Å; F37-L47 HydrophobicContact CZ-CD1 4.46Å; F37-I56 HydrophobicContact CB-CG2 4.49Å; F37-I56 HydrophobicContact CD1-CD1 4.16Å; F37-K58 PolarHBondContact N-O 3.3Å; F37-I59 HydrophobicContact CB-CD1 4.46Å; F37-I59 HydrophobicContact CB-CG1 4.21Å; F37-I59 HydrophobicContact CD1-CD1 4.32Å; F37-I59 WeakPolarHBondContact O-CA 3.36Å; F37-C60 PolarHBondContact O-N 2.87Å; F37-C60 VanDerWaalsContact O-N 3.12Å
38W94.2Very high88.4Confident1 Ų154.9 Ų54.90%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-88.194.3163.5-166.7-83.6000110.5K9 C10 T11 I16 F36 C60 F301 L327 L342 M345K9-W38 PolarHBondContact O-N 3.03Å; C10-W38 CarbonylContact C-O 3.57Å; C10-W38 VanDerWaalsContact CA-O 3.31Å; C10-W38 WeakPolarHBondContact CA-O 3.37Å; C10-W38 HydrophobicContact CB-CB 4.41Å; T11-W38 PolarHBondContact N-O 3.06Å; I16-W38 HydrophobicContact CD1-CD2 4.33Å; I16-W38 HydrophobicContact CD1-CE3 4.13Å; I16-W38 HydrophobicContact CD1-CZ3 4.35Å; I16-W38 HydrophobicContact CG1-CB 4.47Å; I16-W38 HydrophobicContact CG1-CD2 3.69Å; I16-W38 HydrophobicContact CG1-CE3 4Å; I16-W38 HydrophobicContact CG1-CG 3.9Å; I16-W38 HydrophobicContact CG2-CG 4.29Å; F36-W38 HydrophobicContact CE1-CB 3.96Å; F36-W38 HydrophobicContact CE1-CE3 4.22Å; F36-W38 AromaticContact CZ-CE3 3.86Å; F36-W38 HydrophobicContact CZ-CE3 3.86Å; W38-C60 HydrophobicContact CD2-CB 4.24Å; W38-C60 HydrophobicContact CE3-CB 3.99Å; W38-C60 HydrophobicContact CZ3-CB 4.27Å; W38-F301 HydrophobicContact CE3-CZ 4.22Å; W38-F301 AromaticContact CZ3-CE2 3.9Å; W38-F301 HydrophobicContact CZ3-CE2 3.9Å; W38-F301 AromaticContact CZ3-CZ 4Å; W38-F301 HydrophobicContact CZ3-CZ 4Å; W38-L327 HydrophobicContact CH2-CD1 4.28Å; W38-L327 HydrophobicContact CZ2-CD1 3.57Å; W38-L342 HydrophobicContact CH2-CD2 4.22Å; W38-M345 HydrophobicContact CE3-CE 4.32Å; W38-M345 HydrophobicContact CH2-CE 4.04Å; W38-M345 HydrophobicContact CH2-SD 3.97Å; W38-M345 HydrophobicContact CZ3-CE 3.43Å; W38-M345 VanDerWaalsContact CZ3-CE 3.43Å; W38-M345 HydrophobicContact CZ3-SD 3.79Å
39C90.8Very high88Confident0 Ų059.1 Ų59.10%029%0.285CS..  trans-109.4160.3178.563.30000111.5T11 F37 T43 H61T11-C39 HydrophobicContact CG2-CB 4.21Å; F37-C39 HydrophobicContact CD1-CB 4.36Å; F37-C39 HydrophobicContact CD2-CB 3.88Å; F37-C39 HydrophobicContact CE1-CB 4.15Å; F37-C39 HydrophobicContact CE2-CB 3.65Å; F37-C39 HydrophobicContact CG-CB 4.25Å; F37-C39 HydrophobicContact CZ-CB 3.78Å; F37-C39 PolarHBondContact O-N 3.08Å; C39-T43 HydrophobicContact CB-CG2 3.94Å; C39-H61 PolarHBondContact O-CD2 3.19Å; C39-H61 VanDerWaalsContact O-CD2 3.25Å; C39-H61 PolarHBondContact O-NE2 2.86Å
40D88.7Confident87.8Confident47 Ų4759.4 Ų59.425%0.25128%0.282SS..  trans-79.6162.8169.162.589.1000110.8T11 M42 T43 M44T11-D40 PolarHBondContact OG1-N 3.45Å; T11-D40 VanDerWaalsContact OG1-N 3.1Å; T11-D40 PolarHBondContact OG1-OD2 2.92Å; D40-M42 PolarHBondContact O-N 3.42Å; D40-M42 VanDerWaalsContact O-N 3.08Å; D40-M42 WeakPolarHBondContact OD1-CA 3.36Å; D40-M42 VanDerWaalsContact OD1-CB 3.28Å; D40-M42 WeakPolarHBondContact OD1-CB 3.37Å; D40-M42 PolarHBondContact OD1-N 3.18Å; D40-T43 PolarHBondContact O-N 3.04Å; D40-T43 PolarHBondContact OD1-N 3.3Å; D40-T43 VanDerWaalsContact OD1-N 3.11Å; D40-T43 PolarHBondContact OD2-OG1 3.47Å; D40-M44 PolarHBondContact O-N 3.29Å
41P85.4Confident87.4Confident47 Ų4753.4 Ų53.431%0.30527%0.27SS..Hα-helixtrans-56.9-26.2-178-30.838000115.7K45 H61P41-K45 PolarHBondContact O-N 3.32Å; P41-H61 WeakPolarHBondContact CD-NE2 3.41Å
42M85Confident86.9Confident138 Ų13852 Ų5268%0.6827%0.265SS*.Hα-helixtrans-77.1-49.7-179.2-167.9179.3-70.300110D40 M44 K45 E46D40-M42 PolarHBondContact O-N 3.42Å; D40-M42 VanDerWaalsContact O-N 3.08Å; D40-M42 WeakPolarHBondContact OD1-CA 3.36Å; D40-M42 VanDerWaalsContact OD1-CB 3.28Å; D40-M42 WeakPolarHBondContact OD1-CB 3.37Å; D40-M42 PolarHBondContact OD1-N 3.18Å; M42-M44 VanDerWaalsContact C-N 3.3Å; M42-M44 PolarHBondContact O-N 2.83Å; M42-K45 WeakPolarHBondContact O-CB 3.46Å; M42-K45 PolarHBondContact O-N 3.49Å; M42-K45 VanDerWaalsContact O-N 3.15Å; M42-E46 PolarHBondContact O-N 2.97Å
43T87Confident86.2Confident30 Ų3050 Ų5018%0.18426%0.256CS..Hα-helixtrans-59.3-40.3173.2-620000111.8T11 F37 C39 D40 K45 E46 L47T11-T43 HydrophobicContact CG2-CG2 4.38Å; F37-T43 HydrophobicContact CE1-CG2 4.25Å; F37-T43 HydrophobicContact CZ-CG2 3.95Å; C39-T43 HydrophobicContact CB-CG2 3.94Å; D40-T43 PolarHBondContact O-N 3.04Å; D40-T43 PolarHBondContact OD1-N 3.3Å; D40-T43 VanDerWaalsContact OD1-N 3.11Å; D40-T43 PolarHBondContact OD2-OG1 3.47Å; T43-K45 VanDerWaalsContact C-N 3.29Å; T43-K45 PolarHBondContact O-N 3.41Å; T43-E46 PolarHBondContact O-N 3.29Å; T43-L47 HydrophobicContact CG2-CD1 4.19Å; T43-L47 HydrophobicContact CG2-CG 4.42Å; T43-L47 WeakPolarHBondContact O-CG 3.31Å; T43-L47 PolarHBondContact O-N 3.23Å
44M86.5Confident85.4Confident6 Ų649.8 Ų49.83%0.0328%0.275CS..Hα-helixtrans-55.6-46.1175.3179.1-90.6-83.300111.7D40 M42 E46 L47 F48 H61 F62 H65D40-M44 PolarHBondContact O-N 3.29Å; M42-M44 VanDerWaalsContact C-N 3.3Å; M42-M44 PolarHBondContact O-N 2.83Å; M44-E46 VanDerWaalsContact C-N 3.31Å; M44-E46 PolarHBondContact O-N 3.23Å; M44-L47 PolarHBondContact O-N 3.36Å; M44-F48 HydrophobicContact CG-CD2 3.59Å; M44-F48 HydrophobicContact CG-CE2 3.59Å; M44-F48 WeakPolarHBondContact O-CD2 3.49Å; M44-F48 PolarHBondContact O-N 2.79Å; M44-F48 VanDerWaalsContact O-N 3.09Å; M44-F48 HydrophobicContact SD-CD2 3.2Å; M44-F48 WeakPolarHBondContact SD-CD2 3.35Å; M44-F48 HydrophobicContact SD-CE2 3.45Å; M44-F48 WeakPolarHBondContact SD-CE2 3.2Å; M44-F48 HydrophobicContact SD-CG 4.33Å; M44-H61 HydrophobicContact CB-CB 4.35Å; M44-H61 HydrophobicContact CE-CB 3.42Å; M44-H61 VanDerWaalsContact CE-CB 3.42Å; M44-H61 HydrophobicContact CG-CB 3.97Å; M44-F62 WeakPolarHBondContact CE-O 3.3Å; M44-H65 VanDerWaalsContact CE-ND1 3.32Å; M44-H65 WeakPolarHBondContact CE-ND1 3.37Å
45K85.3Confident84.9Confident136 Ų13654 Ų5459%0.59130%0.298SS*.Hα-helixtrans-58.4-45.5-179.2-173.5-171.6172.2-162.40111.4P41 M42 T43 F48 D49P41-K45 PolarHBondContact O-N 3.32Å; M42-K45 WeakPolarHBondContact O-CB 3.46Å; M42-K45 PolarHBondContact O-N 3.49Å; M42-K45 VanDerWaalsContact O-N 3.15Å; T43-K45 VanDerWaalsContact C-N 3.29Å; T43-K45 PolarHBondContact O-N 3.41Å; K45-F48 PolarHBondContact O-N 3.18Å; K45-D49 PolarHBondContact O-N 3.13Å
46E86.8Confident84.6Confident108 Ų10853.1 Ų53.151%0.50529%0.293SS..Hα-helixtrans-61.3-45.9178.6-66.3174.6175.400111.7M42 T43 M44 F48 D49 H50M42-E46 PolarHBondContact O-N 2.97Å; T43-E46 PolarHBondContact O-N 3.29Å; M44-E46 VanDerWaalsContact C-N 3.31Å; M44-E46 PolarHBondContact O-N 3.23Å; E46-F48 PolarHBondContact O-N 2.92Å; E46-D49 PolarHBondContact O-N 2.78Å; E46-H50 PolarHBondContact O-CD2 2.86Å; E46-H50 PolarHBondContact O-N 2.79Å
47L85.8Confident84.5Confident12 Ų1257.6 Ų57.66%0.06332%0.316CS..Hα-helixtrans-57.7-38.7176.8-67.3168.1000112.4E31 F37 T43 M44 G51 L52 I59E31-L47 WeakPolarHBondContact OE2-CD2 3.33Å; F37-L47 HydrophobicContact CD1-CD1 3.62Å; F37-L47 HydrophobicContact CE1-CD1 3.42Å; F37-L47 VanDerWaalsContact CE1-CD1 3.42Å; F37-L47 HydrophobicContact CE1-CD2 4.25Å; F37-L47 HydrophobicContact CE1-CG 4.37Å; F37-L47 HydrophobicContact CZ-CD1 4.46Å; T43-L47 HydrophobicContact CG2-CD1 4.19Å; T43-L47 HydrophobicContact CG2-CG 4.42Å; T43-L47 WeakPolarHBondContact O-CG 3.31Å; T43-L47 PolarHBondContact O-N 3.23Å; M44-L47 PolarHBondContact O-N 3.36Å; L47-G51 CarbonylContact O-C 3.58Å; L47-G51 WeakPolarHBondContact O-CA 3.41Å; L47-G51 PolarHBondContact O-N 3.4Å; L47-L52 PolarHBondContact O-N 3.02Å; L47-I59 HydrophobicContact CD1-CD1 3.62Å
48F84.7Confident84.5Confident24 Ų2459.5 Ų59.511%0.10532%0.324CS..Hα-helixtrans-75.9-29.9-179.6-94.5-68.1000113.7M44 K45 E46 L52 R63 C300M44-F48 HydrophobicContact CG-CD2 3.59Å; M44-F48 HydrophobicContact CG-CE2 3.59Å; M44-F48 WeakPolarHBondContact O-CD2 3.49Å; M44-F48 PolarHBondContact O-N 2.79Å; M44-F48 VanDerWaalsContact O-N 3.09Å; M44-F48 HydrophobicContact SD-CD2 3.2Å; M44-F48 WeakPolarHBondContact SD-CD2 3.35Å; M44-F48 HydrophobicContact SD-CE2 3.45Å; M44-F48 WeakPolarHBondContact SD-CE2 3.2Å; M44-F48 HydrophobicContact SD-CG 4.33Å; K45-F48 PolarHBondContact O-N 3.18Å; E46-F48 PolarHBondContact O-N 2.92Å; F48-L52 HydrophobicContact CD1-CD1 3.69Å; F48-L52 HydrophobicContact CD1-CG 4.41Å; F48-L52 HydrophobicContact CE1-CD1 3.23Å; F48-L52 HydrophobicContact CE1-CG 4.31Å; F48-L52 HydrophobicContact CE2-CD1 4.37Å; F48-L52 HydrophobicContact CG-CD1 4.47Å; F48-L52 HydrophobicContact CZ-CD1 3.64Å; F48-R63 VanDerWaalsContact CB-NH2 3.31Å; F48-R63 PolarHBondContact O-NH2 3.24Å; F48-C300 VanDerWaalsContact CZ-SG 3.6Å
49D85.3Confident84.4Confident104 Ų10459.4 Ų59.456%0.55632%0.324SS*.Hα-helixtrans-76.1-32.4176.8-71.5-17.4000111.1K45 E46K45-D49 PolarHBondContact O-N 3.13Å; E46-D49 PolarHBondContact O-N 2.78Å
50H83.3Confident84.5Confident161 Ų16159.4 Ų59.475%0.74532%0.324SS*.Hα-helixtrans-90.3-10.5175.8-65.1-60.9000114.6E46E46-H50 PolarHBondContact O-CD2 2.86Å; E46-H50 PolarHBondContact O-N 2.79Å
51G77.7Confident84.8Confident36 Ų3657.2 Ų57.237%0.37131%0.312SS..  trans95.1128.9-174.600000111.9L47 M53L47-G51 CarbonylContact O-C 3.58Å; L47-G51 WeakPolarHBondContact O-CA 3.41Å; L47-G51 PolarHBondContact O-N 3.4Å; G51-M53 PolarHBondContact O-N 3.01Å
52L73.6Confident85.3Confident26 Ų2655 Ų5514%0.13630%0.297CS..  trans-60.2120.7174.8-87.6144.1000110.3L47 F48 I56 I59L47-L52 PolarHBondContact O-N 3.02Å; F48-L52 HydrophobicContact CD1-CD1 3.69Å; F48-L52 HydrophobicContact CD1-CG 4.41Å; F48-L52 HydrophobicContact CE1-CD1 3.23Å; F48-L52 HydrophobicContact CE1-CG 4.31Å; F48-L52 HydrophobicContact CE2-CD1 4.37Å; F48-L52 HydrophobicContact CG-CD1 4.47Å; F48-L52 HydrophobicContact CZ-CD1 3.64Å; L52-I56 HydrophobicContact CD2-CD1 4.47Å; L52-I59 HydrophobicContact CD2-CD1 3.98Å; L52-I59 HydrophobicContact CD2-CG2 4.2Å
53M69.2Low85.6Confident71 Ų7152.4 Ų52.435%0.3528%0.28SS..  trans-58.8140.6175.4-61.6-61.5165.400111E32 G51 N55 I56E32-M53 HydrophobicContact CG-CG 4.42Å; E32-M53 HydrophobicContact CG-SD 4.48Å; G51-M53 PolarHBondContact O-N 3.01Å; M53-N55 VanDerWaalsContact C-N 3.3Å; M53-N55 PolarHBondContact O-N 2.67Å; M53-N55 VanDerWaalsContact O-N 3.16Å; M53-I56 HydrophobicContact CB-CD1 4.48Å; M53-I56 PolarHBondContact O-N 2.72Å
54G69.8Low85.9Confident76 Ų7653 Ų5378%0.78428%0.282SS*.THydrogen-bonded Turntrans-65-22.2-161.900000116.8
55N82.4Confident86.3Confident88 Ų8853.4 Ų53.447%0.47128%0.284SS..THydrogen-bonded Turntrans-86.2-13.3-176.4-68.5-15.7000113.7E32 C34 M53 I57E32-N55 VanDerWaalsContact O-CB 3.31Å; E32-N55 WeakPolarHBondContact O-CB 3.38Å; E32-N55 PolarHBondContact O-ND2 2.95Å; C34-N55 CarbonylContact O-C 3.56Å; M53-N55 VanDerWaalsContact C-N 3.3Å; M53-N55 PolarHBondContact O-N 2.67Å; M53-N55 VanDerWaalsContact O-N 3.16Å; N55-I57 PolarHBondContact O-N 3.03Å; N55-I57 VanDerWaalsContact O-N 3.12Å
56I87.3Confident86.7Confident4 Ų450 Ų502%0.02127%0.269CS..  trans-71.1111.2-179.1-60.9172.6000109.7C34 F37 L52 M53 K58 I59 R299C34-I56 WeakPolarHBondContact O-CA 3.29Å; C34-I56 PolarHBondContact O-N 3.49Å; F37-I56 HydrophobicContact CB-CG2 4.49Å; F37-I56 HydrophobicContact CD1-CD1 4.16Å; L52-I56 HydrophobicContact CD2-CD1 4.47Å; M53-I56 HydrophobicContact CB-CD1 4.48Å; M53-I56 PolarHBondContact O-N 2.72Å; I56-K58 WeakPolarHBondContact CG2-O 3.45Å; I56-I59 HydrophobicContact CG2-CB 4.04Å; I56-R299 WeakPolarHBondContact O-CD 3.32Å
57I90.7Very high87.1Confident94 Ų9446.4 Ų46.448%0.48225%0.253SS..  trans-82.4-43.8177.4-53.6-179.1000109.9D35 N55 R299D35-I57 HydrophobicContact CB-CD1 4.12Å; D35-I57 HydrophobicContact CB-CG1 4.34Å; D35-I57 WeakPolarHBondContact O-CB 3.34Å; D35-I57 PolarHBondContact O-N 3.14Å; N55-I57 PolarHBondContact O-N 3.03Å; N55-I57 VanDerWaalsContact O-N 3.12Å; I57-R299 WeakPolarHBondContact O-CA 3.41Å; I57-R299 WeakPolarHBondContact O-CB 3.35Å; I57-R299 WeakPolarHBondContact O-CG 3.42Å
58K94.3Very high87.6Confident40 Ų4045.9 Ų45.917%0.17425%0.25CC..EExtended strand (participates in β ladder)trans-136.1139.3179.6-70.5-67.5-172.21800112.5D35 F36 F37 I56 K298 R299 F301 V349 L351D35-K58 PolarHBondContact O-N 2.95Å; D35-K58 VanDerWaalsContact O-N 3.09Å; F36-K58 WeakPolarHBondContact CA-O 3.49Å; F36-K58 HydrophobicContact CD2-CB 3.93Å; F36-K58 HydrophobicContact CE2-CB 4.45Å; F37-K58 PolarHBondContact N-O 3.3Å; I56-K58 WeakPolarHBondContact CG2-O 3.45Å; K58-K298 PolarHBondContact NZ-O 2.83Å; K58-R299 CarbonylContact C-O 3.59Å; K58-R299 VanDerWaalsContact CA-O 3.23Å; K58-R299 WeakPolarHBondContact CA-O 3.41Å; K58-R299 WeakPolarHBondContact CD-O 3.44Å; K58-F301 HydrophobicContact CB-CE1 4.3Å; K58-F301 HydrophobicContact CD-CD1 4.48Å; K58-V349 HydrophobicContact CB-CG1 4.1Å; K58-V349 HydrophobicContact CD-CG1 3.84Å; K58-V349 HydrophobicContact CG-CG1 3.61Å; K58-L351 HydrophobicContact CB-CD1 4.05Å; K58-L351 HydrophobicContact CB-CD2 4.19Å; K58-L351 HydrophobicContact CB-CG 4.28Å; K58-L351 HydrophobicContact CG-CD1 3.97Å; K58-L351 HydrophobicContact CG-CD2 4.32Å; K58-L351 HydrophobicContact CG-CG 3.98Å
59I93.7Very high88.1Confident0 Ų046.2 Ų46.20%025%0.254CS..EExtended strand (participates in β ladder)trans-138.1140.2178.6-172.1166.1000110.5F37 L47 L52 I56 R299 C300 F301F37-I59 HydrophobicContact CB-CD1 4.46Å; F37-I59 HydrophobicContact CB-CG1 4.21Å; F37-I59 HydrophobicContact CD1-CD1 4.32Å; F37-I59 WeakPolarHBondContact O-CA 3.36Å; L47-I59 HydrophobicContact CD1-CD1 3.62Å; L52-I59 HydrophobicContact CD2-CD1 3.98Å; L52-I59 HydrophobicContact CD2-CG2 4.2Å; I56-I59 HydrophobicContact CG2-CB 4.04Å; I59-R299 HydrophobicContact CG2-CB 4.38Å; I59-R299 PolarHBondContact N-O 2.92Å; I59-C300 WeakPolarHBondContact O-CA 3.36Å; I59-F301 WeakPolarHBondContact O-CD1 3.15Å; I59-F301 PolarHBondContact O-N 3.35Å
60C92.9Very high88.4Confident0 Ų047.7 Ų47.70%025%0.252CS..EExtended strand (participates in β ladder)trans-74.7139.7171.9-164.80000110.1F37 W38 F301F37-C60 PolarHBondContact O-N 2.87Å; F37-C60 VanDerWaalsContact O-N 3.12Å; W38-C60 HydrophobicContact CD2-CB 4.24Å; W38-C60 HydrophobicContact CE3-CB 3.99Å; W38-C60 HydrophobicContact CZ3-CB 4.27Å; C60-F301 HydrophobicContact CB-CE2 4.5Å; C60-F301 HydrophobicContact CB-CZ 4.14Å
61H94.6Very high88.8Confident0 Ų042.1 Ų42.10%023%0.225CC..  trans89.7131.7179.2-51.1-59.9000116.9C39 P41 M44 C300 F301 E302 S324C39-H61 PolarHBondContact O-CD2 3.19Å; C39-H61 VanDerWaalsContact O-CD2 3.25Å; C39-H61 PolarHBondContact O-NE2 2.86Å; P41-H61 WeakPolarHBondContact CD-NE2 3.41Å; M44-H61 HydrophobicContact CB-CB 4.35Å; M44-H61 HydrophobicContact CE-CB 3.42Å; M44-H61 VanDerWaalsContact CE-CB 3.42Å; M44-H61 HydrophobicContact CG-CB 3.97Å; H61-C300 PolarHBondContact O-SG 2.98Å; H61-F301 PolarHBondContact N-O 2.82Å; H61-E302 VanDerWaalsContact CA-OE2 3.3Å; H61-E302 WeakPolarHBondContact CA-OE2 3.46Å; H61-E302 IonicContact CE1-OE1 2.76Å; H61-E302 PolarHBondContact CE1-OE1 2.85Å; H61-E302 VanDerWaalsContact CE1-OE1 3.24Å; H61-E302 IonicContact CE1-OE2 3.81Å; H61-E302 IonicContact CG-OE1 3.99Å; H61-E302 IonicContact CG-OE2 3.71Å; H61-E302 IonicContact ND1-OE1 3.65Å; H61-E302 PolarHBondContact ND1-OE1 3.31Å; H61-E302 IonicContact ND1-OE2 2.77Å; H61-E302 PolarHBondContact ND1-OE2 3.11Å; H61-S324 PolarHBondContact CE1-OG 3.19Å; H61-S324 PolarHBondContact NE2-OG 3.24Å; H61-S324 VanDerWaalsContact NE2-OG 3.08Å
62F94.4Very high89.5Confident0 Ų041.4 Ų41.40%021%0.213CC..  trans-88148.6165.8-66.4-84.4000111.2M44 N64 H65 V199 F202 I294 C300 E302M44-F62 WeakPolarHBondContact CE-O 3.3Å; F62-N64 PolarHBondContact O-N 3.36Å; F62-H65 WeakPolarHBondContact O-CB 3.12Å; F62-H65 PolarHBondContact O-N 3.02Å; F62-H65 VanDerWaalsContact O-N 3.16Å; F62-H65 PolarHBondContact O-ND1 3Å; F62-V199 HydrophobicContact CE2-CB 4.41Å; F62-V199 HydrophobicContact CE2-CG1 4.18Å; F62-F202 HydrophobicContact CD1-CD2 4.05Å; F62-F202 AromaticContact CD2-CD2 3.7Å; F62-F202 HydrophobicContact CD2-CD2 3.7Å; F62-F202 AromaticContact CD2-CE2 3.48Å; F62-F202 HydrophobicContact CD2-CE2 3.48Å; F62-F202 VanDerWaalsContact CD2-CE2 3.48Å; F62-F202 HydrophobicContact CE1-CD2 4.06Å; F62-F202 AromaticContact CE2-CD2 3.71Å; F62-F202 HydrophobicContact CE2-CD2 3.71Å; F62-F202 AromaticContact CE2-CE2 3.67Å; F62-F202 HydrophobicContact CE2-CE2 3.67Å; F62-F202 AromaticContact CG-CD2 3.89Å; F62-F202 HydrophobicContact CG-CD2 3.89Å; F62-F202 HydrophobicContact CG-CE2 4Å; F62-F202 AromaticContact CZ-CD2 3.91Å; F62-F202 HydrophobicContact CZ-CD2 3.91Å; F62-F202 HydrophobicContact CZ-CE2 4.33Å; F62-I294 HydrophobicContact CB-CG2 3.58Å; F62-I294 HydrophobicContact CD1-CG2 4.35Å; F62-I294 HydrophobicContact CG-CG2 4Å; F62-C300 HydrophobicContact CD1-CB 3.39Å; F62-C300 HydrophobicContact CE1-CB 3.43Å; F62-C300 VanDerWaalsContact CE1-CB 3.43Å; F62-C300 HydrophobicContact CG-CB 3.98Å; F62-C300 HydrophobicContact CZ-CB 4.06Å; F62-C300 WeakPolarHBondContact CZ-O 3.16Å; F62-E302 HydrophobicContact CD2-CB 3.6Å; F62-E302 HydrophobicContact CE2-CB 3.78Å
63R92.4Very high90.5Very high85 Ų8541.5 Ų41.532%0.32121%0.214SC..BIsolated β-bridgetrans-62.9138167.7-177.6-173-68.8-141.69109.1F48 H65 I295F48-R63 VanDerWaalsContact CB-NH2 3.31Å; F48-R63 PolarHBondContact O-NH2 3.24Å; R63-H65 VanDerWaalsContact C-N 3.3Å; R63-H65 PolarHBondContact O-N 2.9Å; R63-I295 HydrophobicContact CB-CB 4.1Å; R63-I295 VanDerWaalsContact CD-CD1 3.43Å; R63-I295 HydrophobicContact CG-CB 4.39Å; R63-I295 HydrophobicContact CG-CD1 4.04Å; R63-I295 PolarHBondContact O-N 2.81Å
64N93.9Very high91.8Very high41 Ų4138.2 Ų38.222%0.21920%0.197CC..THydrogen-bonded Turntrans6618-172.4-56.4-14.2000115.5F62 F66 E67 I293F62-N64 PolarHBondContact O-N 3.36Å; N64-F66 HydrophobicContact CB-CE1 4.45Å; N64-F66 HydrophobicContact CB-CZ 4.25Å; N64-F66 PolarHBondContact O-N 3.12Å; N64-E67 HydrophobicContact CB-CG 4.15Å; N64-E67 VanDerWaalsContact O-CB 3.31Å; N64-E67 WeakPolarHBondContact O-CB 3.34Å; N64-E67 WeakPolarHBondContact O-CG 3.47Å; N64-E67 PolarHBondContact O-N 3.23Å; N64-I293 PolarHBondContact ND2-O 2.92Å
65H94Very high93Very high16 Ų1634.8 Ų34.87%0.07416%0.161CC..THydrogen-bonded Turntrans-53.4-26.7173.367.7-89.5000113.1M44 F62 R63 E67 L68 T69 E302M44-H65 VanDerWaalsContact CE-ND1 3.32Å; M44-H65 WeakPolarHBondContact CE-ND1 3.37Å; F62-H65 WeakPolarHBondContact O-CB 3.12Å; F62-H65 PolarHBondContact O-N 3.02Å; F62-H65 VanDerWaalsContact O-N 3.16Å; F62-H65 PolarHBondContact O-ND1 3Å; R63-H65 VanDerWaalsContact C-N 3.3Å; R63-H65 PolarHBondContact O-N 2.9Å; H65-E67 PolarHBondContact O-N 3.39Å; H65-E67 VanDerWaalsContact O-N 3.17Å; H65-L68 PolarHBondContact O-N 2.8Å; H65-T69 PolarHBondContact O-N 3.3Å; H65-E302 IonicContact CG-OE2 3.69Å
66F93.3Very high93.6Very high63 Ų6336.9 Ų36.928%0.27617%0.166SC..Hα-helixtrans-61.8-18176.959.5-104.1000114.4N64 L68 T69 R70 L73N64-F66 HydrophobicContact CB-CE1 4.45Å; N64-F66 HydrophobicContact CB-CZ 4.25Å; N64-F66 PolarHBondContact O-N 3.12Å; F66-L68 PolarHBondContact O-N 2.82Å; F66-T69 WeakPolarHBondContact CA-OG1 3.48Å; F66-T69 PolarHBondContact O-N 2.93Å; F66-R70 HydrophobicContact CB-CG 4.09Å; F66-R70 VanDerWaalsContact O-CB 3.32Å; F66-R70 WeakPolarHBondContact O-CB 3.26Å; F66-R70 PolarHBondContact O-N 3.28Å; F66-L73 HydrophobicContact CD2-CD1 3.71Å; F66-L73 HydrophobicContact CE2-CD1 4.21Å
67E95.9Very high94.1Very high34 Ų3436.9 Ų36.916%0.15917%0.166CC..Hα-helixtrans-62.4-25.6171.5-72.3-69157.900112.6N64 H65 L73 M74 N77 V290 I293N64-E67 HydrophobicContact CB-CG 4.15Å; N64-E67 VanDerWaalsContact O-CB 3.31Å; N64-E67 WeakPolarHBondContact O-CB 3.34Å; N64-E67 WeakPolarHBondContact O-CG 3.47Å; N64-E67 PolarHBondContact O-N 3.23Å; H65-E67 PolarHBondContact O-N 3.39Å; H65-E67 VanDerWaalsContact O-N 3.17Å; E67-L73 CarbonylContact O-C 3.57Å; E67-M74 WeakPolarHBondContact O-CA 3.5Å; E67-M74 PolarHBondContact O-N 3.31Å; E67-N77 PolarHBondContact O-ND2 3.32Å; E67-N77 PolarHBondContact OE2-ND2 3.42Å; E67-V290 HydrophobicContact CB-CG1 4.19Å; E67-I293 HydrophobicContact CG-CG2 3.78Å
68L96.4Very high94.4Very high0 Ų032.4 Ų32.40%014%0.143CC..Hα-helixtrans-97.7-32.2175.6-169.663.9000112.5H65 F66 M74 S286 L287 V290 Y304 I321H65-L68 PolarHBondContact O-N 2.8Å; F66-L68 PolarHBondContact O-N 2.82Å; L68-M74 HydrophobicContact CD1-CG 4.44Å; L68-M74 WeakPolarHBondContact O-CB 3.29Å; L68-M74 VanDerWaalsContact O-CG 3.32Å; L68-M74 WeakPolarHBondContact O-CG 3.4Å; L68-S286 WeakPolarHBondContact CD1-O 3.43Å; L68-L287 HydrophobicContact CD2-CD2 3.74Å; L68-V290 HydrophobicContact CB-CG1 4.19Å; L68-V290 HydrophobicContact CB-CG2 4.22Å; L68-V290 HydrophobicContact CD1-CG1 4.06Å; L68-V290 HydrophobicContact CD1-CG2 3.94Å; L68-V290 HydrophobicContact CD2-CG2 4.34Å; L68-V290 HydrophobicContact CG-CG2 4.4Å; L68-Y304 HydrophobicContact CD2-CD1 4.26Å; L68-Y304 HydrophobicContact CD2-CD2 4.41Å; L68-Y304 HydrophobicContact CD2-CE1 3.82Å; L68-Y304 HydrophobicContact CD2-CE2 3.97Å; L68-I321 HydrophobicContact CD1-CD1 3.63Å; L68-I321 HydrophobicContact CD2-CD1 4.25Å; L68-I321 HydrophobicContact CD2-CG2 4.16Å; L68-I321 HydrophobicContact CG-CB 4.45Å; L68-I321 HydrophobicContact CG-CD1 3.75Å; L68-I321 HydrophobicContact CG-CG2 4.16Å
69T94.3Very high94.5Very high32 Ų3232.4 Ų32.420%0.19614%0.143CC..Hα-helixtrans-96.4-24-169.5660000114.4H65 F66 K71 Y304 I321 A323H65-T69 PolarHBondContact O-N 3.3Å; F66-T69 WeakPolarHBondContact CA-OG1 3.48Å; F66-T69 PolarHBondContact O-N 2.93Å; T69-K71 PolarHBondContact O-N 3.19Å; T69-Y304 HydrophobicContact CG2-CD1 4.23Å; T69-Y304 HydrophobicContact CG2-CE1 3.97Å; T69-I321 WeakPolarHBondContact CA-O 3.15Å; T69-I321 VanDerWaalsContact CB-O 3.27Å; T69-I321 WeakPolarHBondContact CB-O 3.33Å; T69-A323 HydrophobicContact CG2-CB 3.7Å; T69-A323 VanDerWaalsContact CG2-N 3.28Å
70R92.2Very high94.6Very high135 Ų13538.4 Ų38.451%0.50917%0.166SC..SBendtrans-79.4121.3170.2-67.1-178.7177.5-178.2-0.2109.4F66 N72 L73 M74F66-R70 HydrophobicContact CB-CG 4.09Å; F66-R70 VanDerWaalsContact O-CB 3.32Å; F66-R70 WeakPolarHBondContact O-CB 3.26Å; F66-R70 PolarHBondContact O-N 3.28Å; R70-N72 VanDerWaalsContact C-N 3.3Å; R70-N72 WeakPolarHBondContact CB-OD1 3.33Å; R70-N72 PolarHBondContact O-N 3.09Å; R70-L73 HydrophobicContact CB-CB 4.35Å; R70-L73 HydrophobicContact CB-CD1 4.23Å; R70-L73 HydrophobicContact CB-CG 4.26Å; R70-L73 PolarHBondContact O-N 3.38Å; R70-L73 VanDerWaalsContact O-N 3.09Å; R70-M74 WeakPolarHBondContact O-CB 3.28Å; R70-M74 PolarHBondContact O-N 3.19Å
71K92.2Very high94.7Very high43 Ų4339 Ų3919%0.18717%0.169CC..Hα-helixtrans-54.4-41.3-172.9-174.569.6-176.7-178.20113.6T69 M74 V75 V175 L318 L319T69-K71 PolarHBondContact O-N 3.19Å; K71-M74 HydrophobicContact CD-CE 3.71Å; K71-V75 HydrophobicContact CD-CG2 4.37Å; K71-V75 WeakPolarHBondContact O-CB 3.49Å; K71-V75 VanDerWaalsContact O-CG2 3.24Å; K71-V75 WeakPolarHBondContact O-CG2 3.39Å; K71-V75 PolarHBondContact O-N 3.3Å; K71-V175 HydrophobicContact CG-CG1 3.88Å; K71-L318 PolarHBondContact NZ-O 3.29Å; K71-L319 WeakPolarHBondContact CD-O 3.36Å; K71-L319 WeakPolarHBondContact CE-O 3.39Å; K71-L319 PolarHBondContact NZ-O 2.9Å
72N91.5Very high94.7Very high22 Ų2241 Ų4112%0.11818%0.177CC..Hα-helixtrans-63.5-47.717860.7-33.8000112R70 V75 K76 E105 V175R70-N72 VanDerWaalsContact C-N 3.3Å; R70-N72 WeakPolarHBondContact CB-OD1 3.33Å; R70-N72 PolarHBondContact O-N 3.09Å; N72-V75 PolarHBondContact O-N 2.9Å; N72-K76 WeakPolarHBondContact O-CB 3.2Å; N72-K76 PolarHBondContact O-N 2.91Å; N72-E105 HydrophobicContact CB-CG 4.37Å; N72-E105 PolarHBondContact ND2-OE1 2.75Å; N72-V175 HydrophobicContact CB-CG2 3.89Å
73L94.5Very high94.7Very high28 Ų2848.7 Ų48.715%0.14721%0.207CC..Hα-helixtrans-67.5-44.1178.6-60.6-178.9000111.8F66 E67 R70 V75 K76 N77F66-L73 HydrophobicContact CD2-CD1 3.71Å; F66-L73 HydrophobicContact CE2-CD1 4.21Å; E67-L73 CarbonylContact O-C 3.57Å; R70-L73 HydrophobicContact CB-CB 4.35Å; R70-L73 HydrophobicContact CB-CD1 4.23Å; R70-L73 HydrophobicContact CB-CG 4.26Å; R70-L73 PolarHBondContact O-N 3.38Å; R70-L73 VanDerWaalsContact O-N 3.09Å; L73-V75 VanDerWaalsContact C-N 3.33Å; L73-V75 PolarHBondContact O-N 3.32Å; L73-K76 WeakPolarHBondContact O-CB 3.24Å; L73-K76 PolarHBondContact O-N 3.49Å; L73-K76 VanDerWaalsContact O-N 3.14Å; L73-N77 WeakPolarHBondContact O-CB 3.42Å; L73-N77 VanDerWaalsContact O-CG 3.29Å; L73-N77 PolarHBondContact O-N 3.46Å; L73-N77 PolarHBondContact O-ND2 3.27Å; L73-N77 VanDerWaalsContact O-ND2 3.09Å
74M96.3Very high94.8Very high1 Ų148.7 Ų48.71%0.00521%0.209CC..Hα-helixtrans-54.5-49.3175.3-173-165.178.100111.2E67 L68 R70 K71 N77 L78 L318 I321E67-M74 WeakPolarHBondContact O-CA 3.5Å; E67-M74 PolarHBondContact O-N 3.31Å; L68-M74 HydrophobicContact CD1-CG 4.44Å; L68-M74 WeakPolarHBondContact O-CB 3.29Å; L68-M74 VanDerWaalsContact O-CG 3.32Å; L68-M74 WeakPolarHBondContact O-CG 3.4Å; R70-M74 WeakPolarHBondContact O-CB 3.28Å; R70-M74 PolarHBondContact O-N 3.19Å; K71-M74 HydrophobicContact CD-CE 3.71Å; M74-N77 PolarHBondContact O-N 2.95Å; M74-L78 HydrophobicContact CE-CD1 4.19Å; M74-L78 HydrophobicContact CG-CD1 4.05Å; M74-L78 WeakPolarHBondContact O-CB 3.47Å; M74-L78 WeakPolarHBondContact O-CG 3.31Å; M74-L78 PolarHBondContact O-N 2.95Å; M74-L318 HydrophobicContact CE-CD2 4.05Å; M74-L318 HydrophobicContact CE-CG 4.34Å; M74-L318 HydrophobicContact SD-CD2 3.9Å; M74-L318 HydrophobicContact SD-CG 4.44Å; M74-I321 HydrophobicContact CG-CD1 4.48Å; M74-I321 HydrophobicContact SD-CD1 3.84Å; M74-I321 HydrophobicContact SD-CG1 3.96Å
75V95.7Very high94.5Very high4 Ų447.6 Ų47.62%0.02420%0.202CC..Hα-helixtrans-65-41.5178.2166.90000111.4K71 N72 L73 N77 L78 K79 F100 T103K71-V75 HydrophobicContact CD-CG2 4.37Å; K71-V75 WeakPolarHBondContact O-CB 3.49Å; K71-V75 VanDerWaalsContact O-CG2 3.24Å; K71-V75 WeakPolarHBondContact O-CG2 3.39Å; K71-V75 PolarHBondContact O-N 3.3Å; N72-V75 PolarHBondContact O-N 2.9Å; L73-V75 VanDerWaalsContact C-N 3.33Å; L73-V75 PolarHBondContact O-N 3.32Å; V75-N77 VanDerWaalsContact C-N 3.33Å; V75-N77 PolarHBondContact O-N 2.94Å; V75-L78 PolarHBondContact O-N 3.37Å; V75-K79 HydrophobicContact CG1-CD 4.03Å; V75-K79 HydrophobicContact CG1-CG 4.28Å; V75-K79 WeakPolarHBondContact O-CB 3.25Å; V75-K79 VanDerWaalsContact O-CG 3.3Å; V75-K79 WeakPolarHBondContact O-CG 3.47Å; V75-K79 PolarHBondContact O-N 2.93Å; V75-F100 HydrophobicContact CG1-CE2 4.09Å; V75-F100 HydrophobicContact CG2-CD2 4.23Å; V75-T103 HydrophobicContact CB-CG2 4.38Å; V75-T103 HydrophobicContact CG1-CG2 4.15Å; V75-T103 HydrophobicContact CG2-CG2 3.88Å
76K95.8Very high94.5Very high133 Ų13349.9 Ų49.958%0.57821%0.212SC*.Hα-helixtrans-59.3-44.7175.7-178.9-177177.8-177.20111.3N72 L73 R80N72-K76 WeakPolarHBondContact O-CB 3.2Å; N72-K76 PolarHBondContact O-N 2.91Å; L73-K76 WeakPolarHBondContact O-CB 3.24Å; L73-K76 PolarHBondContact O-N 3.49Å; L73-K76 VanDerWaalsContact O-N 3.14Å; K76-R80 WeakPolarHBondContact O-CB 3.38Å; K76-R80 PolarHBondContact O-N 3.3Å
77N97.6Very high94.4Very high3 Ų355.9 Ų55.92%0.01624%0.238CC..Hα-helixtrans-67.2-43.5179.5-71.3-36.3000111.8E67 L73 M74 V75 R80 L81 V290 I293E67-N77 PolarHBondContact O-ND2 3.32Å; E67-N77 PolarHBondContact OE2-ND2 3.42Å; L73-N77 WeakPolarHBondContact O-CB 3.42Å; L73-N77 VanDerWaalsContact O-CG 3.29Å; L73-N77 PolarHBondContact O-N 3.46Å; L73-N77 PolarHBondContact O-ND2 3.27Å; L73-N77 VanDerWaalsContact O-ND2 3.09Å; M74-N77 PolarHBondContact O-N 2.95Å; V75-N77 VanDerWaalsContact C-N 3.33Å; V75-N77 PolarHBondContact O-N 2.94Å; N77-R80 PolarHBondContact O-N 2.85Å; N77-R80 PolarHBondContact OD1-NH2 2.92Å; N77-L81 PolarHBondContact O-N 3.4Å; N77-V290 HydrophobicContact CB-CG1 4.04Å; N77-I293 VanDerWaalsContact CG-CD1 3.45Å; N77-I293 WeakPolarHBondContact OD1-CD1 3.4Å
78L97.4Very high94.1Very high0 Ų059.2 Ų59.20%025%0.254CS..Hα-helixtrans-63-45.5173.8-74.7167.8000112.6M74 V75 R80 L81 K82 F99 F100 L318M74-L78 HydrophobicContact CE-CD1 4.19Å; M74-L78 HydrophobicContact CG-CD1 4.05Å; M74-L78 WeakPolarHBondContact O-CB 3.47Å; M74-L78 WeakPolarHBondContact O-CG 3.31Å; M74-L78 PolarHBondContact O-N 2.95Å; V75-L78 PolarHBondContact O-N 3.37Å; L78-R80 VanDerWaalsContact C-N 3.28Å; L78-R80 PolarHBondContact O-N 2.82Å; L78-L81 PolarHBondContact O-N 3.21Å; L78-K82 WeakPolarHBondContact O-CB 3.48Å; L78-K82 PolarHBondContact O-N 2.89Å; L78-F99 HydrophobicContact CD1-CE2 4.18Å; L78-F99 HydrophobicContact CD2-CE2 3.83Å; L78-F99 HydrophobicContact CD2-CZ 3.67Å; L78-F100 HydrophobicContact CB-CD1 4.2Å; L78-F100 HydrophobicContact CB-CE1 3.63Å; L78-F100 HydrophobicContact CB-CZ 3.85Å; L78-F100 HydrophobicContact CD1-CD1 3.77Å; L78-F100 HydrophobicContact CD1-CE1 4.09Å; L78-F100 HydrophobicContact CD1-CG 4.1Å; L78-F100 HydrophobicContact CG-CD1 4.47Å; L78-F100 HydrophobicContact CG-CE1 4.34Å; L78-L318 HydrophobicContact CD1-CD2 4.25Å
79K96.1Very high93.6Very high41 Ų4162.5 Ų62.518%0.17827%0.267CS..Hα-helixtrans-58.1-40.7174.1-77.2176.7179.7174.40111.3V75 R83 F100 T103 E109V75-K79 HydrophobicContact CG1-CD 4.03Å; V75-K79 HydrophobicContact CG1-CG 4.28Å; V75-K79 WeakPolarHBondContact O-CB 3.25Å; V75-K79 VanDerWaalsContact O-CG 3.3Å; V75-K79 WeakPolarHBondContact O-CG 3.47Å; V75-K79 PolarHBondContact O-N 2.93Å; K79-R83 WeakPolarHBondContact O-CG 3.38Å; K79-R83 PolarHBondContact O-N 2.9Å; K79-R83 VanDerWaalsContact O-N 3.07Å; K79-F100 HydrophobicContact CG-CE2 4.47Å; K79-F100 HydrophobicContact CG-CZ 4.3Å; K79-T103 WeakPolarHBondContact CE-O 3.47Å; K79-T103 PolarHBondContact NZ-O 3.34Å; K79-E109 IonicContact NZ-OE1 2.95Å; K79-E109 PolarHBondContact NZ-OE1 3.43Å; K79-E109 IonicContact NZ-OE2 3.98Å
80R96.2Very high93.3Very high126 Ų12662.9 Ų62.948%0.47527%0.271SS..Hα-helixtrans-66.7-44.5177.3-174.5-178.664.8-165.7-3.8111.6K76 N77 L78 K82 R83 K84 S289K76-R80 WeakPolarHBondContact O-CB 3.38Å; K76-R80 PolarHBondContact O-N 3.3Å; N77-R80 PolarHBondContact O-N 2.85Å; N77-R80 PolarHBondContact OD1-NH2 2.92Å; L78-R80 VanDerWaalsContact C-N 3.28Å; L78-R80 PolarHBondContact O-N 2.82Å; R80-K82 VanDerWaalsContact C-N 3.34Å; R80-R83 PolarHBondContact O-N 3.04Å; R80-K84 WeakPolarHBondContact O-CB 3.23Å; R80-K84 PolarHBondContact O-N 2.88Å; R80-S289 PolarHBondContact NH2-O 3.12Å
81L94.8Very high93.1Very high13 Ų1363.6 Ų63.67%0.06828%0.278CS..Hα-helixtrans-59.3-46.8175.4-173.271.2000110.9N77 L78 R83 K84 W85 L97 G285 L288N77-L81 PolarHBondContact O-N 3.4Å; L78-L81 PolarHBondContact O-N 3.21Å; L81-R83 PolarHBondContact O-N 3.3Å; L81-K84 WeakPolarHBondContact O-CB 3.36Å; L81-K84 PolarHBondContact O-N 3.2Å; L81-W85 HydrophobicContact CD1-CE3 3.61Å; L81-W85 HydrophobicContact CD1-CH2 4.34Å; L81-W85 HydrophobicContact CD1-CZ3 3.32Å; L81-W85 HydrophobicContact CG-CE3 3.99Å; L81-W85 HydrophobicContact CG-CZ3 4.12Å; L81-W85 PolarHBondContact O-N 3.05Å; L81-L97 HydrophobicContact CB-CD1 4.36Å; L81-L97 HydrophobicContact CD2-CD1 3.93Å; L81-L97 HydrophobicContact CD2-CD2 4.01Å; L81-L97 HydrophobicContact CG-CD1 3.88Å; L81-G285 VanDerWaalsContact CD2-O 3.22Å; L81-G285 WeakPolarHBondContact CD2-O 3.49Å; L81-L288 HydrophobicContact CD2-CB 4.31Å
82K94.7Very high92.9Very high40 Ų4068.7 Ų68.717%0.17430%0.302CS..Hα-helixtrans-55.3-53.8176.4-179.6176.1-178178.90112.4L78 R80 K84 W85 E86 G94 L97 D98L78-K82 WeakPolarHBondContact O-CB 3.48Å; L78-K82 PolarHBondContact O-N 2.89Å; R80-K82 VanDerWaalsContact C-N 3.34Å; K82-K84 PolarHBondContact O-N 3.43Å; K82-W85 PolarHBondContact O-N 2.87Å; K82-W85 VanDerWaalsContact O-N 3.08Å; K82-E86 WeakPolarHBondContact CE-OE1 3.43Å; K82-E86 HydrophobicContact CG-CG 4.26Å; K82-E86 IonicContact NZ-OE1 2.63Å; K82-E86 WeakPolarHBondContact O-CG 3.36Å; K82-E86 PolarHBondContact O-N 3.4Å; K82-G94 WeakPolarHBondContact CE-O 3.22Å; K82-L97 HydrophobicContact CB-CB 4.33Å; K82-L97 HydrophobicContact CB-CD1 4.05Å; K82-D98 IonicContact NZ-OD1 2.83Å; K82-D98 PolarHBondContact NZ-OD1 3.43Å; K82-D98 IonicContact NZ-OD2 2.76Å; K82-D98 PolarHBondContact NZ-OD2 3.22Å
83R94.7Very high92.5Very high162 Ų16269.3 Ų69.361%0.61130%0.304SS*.Hα-helixtrans-58.7-37.6178.6-71.1174.7-171.6168.82.2112.7K79 R80 L81 K87K79-R83 WeakPolarHBondContact O-CG 3.38Å; K79-R83 PolarHBondContact O-N 2.9Å; K79-R83 VanDerWaalsContact O-N 3.07Å; R80-R83 PolarHBondContact O-N 3.04Å; L81-R83 PolarHBondContact O-N 3.3Å; R83-K87 WeakPolarHBondContact O-CB 3.46Å; R83-K87 PolarHBondContact O-N 2.89Å
84K92.5Very high92.2Very high85 Ų8568 Ų6837%0.3730%0.297SS..Hα-helixtrans-62.2-48175.8-174.7-167.8169.8-152.80110.3R80 L81 K82 K87 E88R80-K84 WeakPolarHBondContact O-CB 3.23Å; R80-K84 PolarHBondContact O-N 2.88Å; L81-K84 WeakPolarHBondContact O-CB 3.36Å; L81-K84 PolarHBondContact O-N 3.2Å; K82-K84 PolarHBondContact O-N 3.43Å; K84-K87 PolarHBondContact O-N 3.39Å; K84-E88 VanDerWaalsContact CE-CD 3.46Å; K84-E88 WeakPolarHBondContact CE-OE1 3.49Å; K84-E88 WeakPolarHBondContact CE-OE2 3.28Å; K84-E88 IonicContact NZ-OE1 3.32Å; K84-E88 IonicContact NZ-OE2 3.79Å; K84-E88 WeakPolarHBondContact O-CG 3.45Å; K84-E88 PolarHBondContact O-N 3.18Å
85W88.9Confident91.9Very high19 Ų1973 Ų737%0.07232%0.321CS..Hα-helixtrans-64.8-42178.5-113.8-98.8000113.4L81 K82 K87 E88 Y89 L97 F407L81-W85 HydrophobicContact CD1-CE3 3.61Å; L81-W85 HydrophobicContact CD1-CH2 4.34Å; L81-W85 HydrophobicContact CD1-CZ3 3.32Å; L81-W85 HydrophobicContact CG-CE3 3.99Å; L81-W85 HydrophobicContact CG-CZ3 4.12Å; L81-W85 PolarHBondContact O-N 3.05Å; K82-W85 PolarHBondContact O-N 2.87Å; K82-W85 VanDerWaalsContact O-N 3.08Å; W85-K87 PolarHBondContact O-N 2.81Å; W85-E88 PolarHBondContact O-N 3.47Å; W85-Y89 AromaticContact CD1-CD2 3.4Å; W85-Y89 VanDerWaalsContact CD1-CD2 3.4Å; W85-Y89 AromaticContact CD1-CE2 3.52Å; W85-Y89 HydrophobicContact CD2-CE2 4.14Å; W85-Y89 AromaticContact CE2-CE2 3.75Å; W85-Y89 HydrophobicContact CG-CD2 4.01Å; W85-Y89 HydrophobicContact CG-CE2 4.03Å; W85-Y89 HydrophobicContact CZ2-CE2 4.44Å; W85-Y89 AromaticContact NE1-CD2 3.64Å; W85-Y89 AromaticContact NE1-CE2 3.27Å; W85-Y89 VanDerWaalsContact NE1-CE2 3.27Å; W85-Y89 WeakPolarHBondContact O-CD2 3.33Å; W85-Y89 PolarHBondContact O-N 3.12Å; W85-L97 HydrophobicContact CB-CD1 4.48Å; W85-F407 AromaticContact CE2-CD2 3.96Å; W85-F407 AromaticContact CZ2-CD2 3.89Å; W85-F407 HydrophobicContact CZ2-CD2 3.89Å; W85-F407 PolarHBondContact NE1-O 2.9Å
86E92.8Very high91.6Very high63 Ų6375.2 Ų75.229%0.29433%0.332SS..Hα-helixtrans-60.5-33.2176.1-69.6177.8147.800112.3K82 S90K82-E86 WeakPolarHBondContact CE-OE1 3.43Å; K82-E86 HydrophobicContact CG-CG 4.26Å; K82-E86 IonicContact NZ-OE1 2.63Å; K82-E86 WeakPolarHBondContact O-CG 3.36Å; K82-E86 PolarHBondContact O-N 3.4Å; E86-S90 WeakPolarHBondContact CA-O 3.3Å
87K92.1Very high91.5Very high189 Ų18968.9 Ų68.982%0.82230%0.304SS*.Hα-helixtrans-77.9-38.5177-176.4-179.1177.2-176.10112.7R83 K84 W85R83-K87 WeakPolarHBondContact O-CB 3.46Å; R83-K87 PolarHBondContact O-N 2.89Å; K84-K87 PolarHBondContact O-N 3.39Å; W85-K87 PolarHBondContact O-N 2.81Å
88E89.5Confident91.4Very high104 Ų10471.2 Ų71.249%0.48632%0.317SS..Hα-helixtrans-79.6-34.2-176.4-75.1177.7178.600112.9K84 W85K84-E88 VanDerWaalsContact CE-CD 3.46Å; K84-E88 WeakPolarHBondContact CE-OE1 3.49Å; K84-E88 WeakPolarHBondContact CE-OE2 3.28Å; K84-E88 IonicContact NZ-OE1 3.32Å; K84-E88 IonicContact NZ-OE2 3.79Å; K84-E88 WeakPolarHBondContact O-CG 3.45Å; K84-E88 PolarHBondContact O-N 3.18Å; W85-E88 PolarHBondContact O-N 3.47Å
89Y86.2Confident91.3Very high70 Ų7071.6 Ų71.628%0.27532%0.319SS..THydrogen-bonded Turntrans-121.3-80.8-177.1-49.7-90.2000111.9W85 H405W85-Y89 AromaticContact CD1-CD2 3.4Å; W85-Y89 VanDerWaalsContact CD1-CD2 3.4Å; W85-Y89 AromaticContact CD1-CE2 3.52Å; W85-Y89 HydrophobicContact CD2-CE2 4.14Å; W85-Y89 AromaticContact CE2-CE2 3.75Å; W85-Y89 HydrophobicContact CG-CD2 4.01Å; W85-Y89 HydrophobicContact CG-CE2 4.03Å; W85-Y89 HydrophobicContact CZ2-CE2 4.44Å; W85-Y89 AromaticContact NE1-CD2 3.64Å; W85-Y89 AromaticContact NE1-CE2 3.27Å; W85-Y89 VanDerWaalsContact NE1-CE2 3.27Å; W85-Y89 WeakPolarHBondContact O-CD2 3.33Å; W85-Y89 PolarHBondContact O-N 3.12Å; Y89-H405 HydrophobicContact CE1-CB 3.99Å; Y89-H405 AromaticContact CE1-CG 3.77Å; Y89-H405 AromaticContact CE1-ND1 3.67Å; Y89-H405 AromaticContact CZ-ND1 3.58Å; Y89-H405 PolarHBondContact OH-ND1 3.46Å
90S87.6Confident91.4Very high40 Ų4070.5 Ų70.528%0.2831%0.314SS..  trans-163.7165.5179.284.50000112E86 Q92 E93 G94E86-S90 WeakPolarHBondContact CA-O 3.3Å; S90-Q92 PolarHBondContact O-N 2.93Å; S90-Q92 PolarHBondContact OG-N 3.09Å; S90-E93 PolarHBondContact O-N 3.02Å; S90-E93 WeakPolarHBondContact OG-CG 3.38Å; S90-E93 PolarHBondContact OG-N 3.37Å; S90-E93 VanDerWaalsContact OG-N 3.11Å; S90-G94 PolarHBondContact O-N 3.26Å; S90-G94 VanDerWaalsContact O-N 3.09Å
91K88.7Confident91.4Very high150 Ų15064.8 Ų64.865%0.65229%0.293SS*.Hα-helixtrans-61.7-32172.9-168.6176.9-178.1179.60112.8Q95K91-Q95 WeakPolarHBondContact O-CG 3.38Å; K91-Q95 PolarHBondContact O-N 3.01Å
92Q86.4Confident91.5Very high150 Ų15066 Ų6670%0.70130%0.301SS*.Hα-helixtrans-70.3-43.3178.1-69.4175.8-700110.5S90 G94 Q95S90-Q92 PolarHBondContact O-N 2.93Å; S90-Q92 PolarHBondContact OG-N 3.09Å; Q92-G94 VanDerWaalsContact C-N 3.29Å; Q92-G94 PolarHBondContact O-N 3.03Å; Q92-Q95 WeakPolarHBondContact O-CB 3.21Å; Q92-Q95 PolarHBondContact O-N 2.86Å
93E83.9Confident91.6Very high34 Ų3464.1 Ų64.116%0.15929%0.293CS..Hα-helixtrans-60.6-40174.9-67.2-52.6134.900111.5S90 Q95 I96S90-E93 PolarHBondContact O-N 3.02Å; S90-E93 WeakPolarHBondContact OG-CG 3.38Å; S90-E93 PolarHBondContact OG-N 3.37Å; S90-E93 VanDerWaalsContact OG-N 3.11Å; E93-Q95 PolarHBondContact O-N 3.4Å; E93-Q95 VanDerWaalsContact O-N 3.16Å; E93-I96 WeakPolarHBondContact O-CB 3.42Å; E93-I96 WeakPolarHBondContact O-CG2 3.4Å; E93-I96 PolarHBondContact O-N 3.44Å
94G87.6Confident91.6Very high0 Ų057.2 Ų57.20%027%0.268CS..Hα-helixtrans-61.5-21.8175.500000114.9K82 S90 Q92 I96 L97K82-G94 WeakPolarHBondContact CE-O 3.22Å; S90-G94 PolarHBondContact O-N 3.26Å; S90-G94 VanDerWaalsContact O-N 3.09Å; Q92-G94 VanDerWaalsContact C-N 3.29Å; Q92-G94 PolarHBondContact O-N 3.03Å; G94-I96 PolarHBondContact O-N 3.16Å; G94-L97 PolarHBondContact O-N 3.01Å
95Q90.8Very high91.6Very high107 Ų10755.5 Ų55.550%0.526%0.261SS..G310 helixtrans-72.4-17.4178.8-68.6172.60.400112.9K91 Q92 E93 L97 D98K91-Q95 WeakPolarHBondContact O-CG 3.38Å; K91-Q95 PolarHBondContact O-N 3.01Å; Q92-Q95 WeakPolarHBondContact O-CB 3.21Å; Q92-Q95 PolarHBondContact O-N 2.86Å; E93-Q95 PolarHBondContact O-N 3.4Å; E93-Q95 VanDerWaalsContact O-N 3.16Å; Q95-L97 PolarHBondContact O-N 2.84Å; Q95-L97 VanDerWaalsContact O-N 3.13Å; Q95-D98 VanDerWaalsContact O-CB 3.31Å; Q95-D98 WeakPolarHBondContact O-CB 3.32Å; Q95-D98 PolarHBondContact O-N 3.46Å
96I90.2Very high91.7Very high50 Ų5054.6 Ų54.626%0.25626%0.257SS..G310 helixtrans-59.3-25.2173.1-159.4162.3000111.8E93 G94 F99 V281 F407E93-I96 WeakPolarHBondContact O-CB 3.42Å; E93-I96 WeakPolarHBondContact O-CG2 3.4Å; E93-I96 PolarHBondContact O-N 3.44Å; G94-I96 PolarHBondContact O-N 3.16Å; I96-F99 WeakPolarHBondContact O-CD1 3.24Å; I96-V281 HydrophobicContact CD1-CG1 4.48Å; I96-V281 HydrophobicContact CG1-CG1 3.82Å; I96-F407 HydrophobicContact CD1-CB 4.46Å; I96-F407 HydrophobicContact CD1-CD1 3.61Å; I96-F407 HydrophobicContact CD1-CE1 4.23Å; I96-F407 HydrophobicContact CD1-CG 4.39Å; I96-F407 HydrophobicContact CG1-CD1 4.28Å; I96-F407 HydrophobicContact CG2-CB 4.13Å; I96-F407 HydrophobicContact CG2-CD1 4.13Å; I96-F407 HydrophobicContact CG2-CG 4.07Å
97L92.8Very high91.5Very high0 Ų053 Ų530%025%0.253CS..G310 helixtrans-87.91.7177.5-62.1171.5000113.2L81 K82 W85 G94 Q95 F99 F100 F407L81-L97 HydrophobicContact CB-CD1 4.36Å; L81-L97 HydrophobicContact CD2-CD1 3.93Å; L81-L97 HydrophobicContact CD2-CD2 4.01Å; L81-L97 HydrophobicContact CG-CD1 3.88Å; K82-L97 HydrophobicContact CB-CB 4.33Å; K82-L97 HydrophobicContact CB-CD1 4.05Å; W85-L97 HydrophobicContact CB-CD1 4.48Å; G94-L97 PolarHBondContact O-N 3.01Å; Q95-L97 PolarHBondContact O-N 2.84Å; Q95-L97 VanDerWaalsContact O-N 3.13Å; L97-F99 HydrophobicContact CB-CE1 4.4Å; L97-F99 HydrophobicContact CD2-CE1 3.67Å; L97-F99 HydrophobicContact CD2-CZ 4.14Å; L97-F99 PolarHBondContact O-N 2.76Å; L97-F100 WeakPolarHBondContact O-CD1 3.38Å; L97-F100 WeakPolarHBondContact O-CE1 3.33Å; L97-F407 HydrophobicContact CD2-CE2 4.18Å; L97-F407 HydrophobicContact CD2-CZ 4.49Å
98D94.9Very high91.4Very high53 Ų5351.2 Ų51.228%0.28325%0.249SC..  trans-80.345.2175.8-73.2-34.1000112.8K82 Q95 K315K82-D98 IonicContact NZ-OD1 2.83Å; K82-D98 PolarHBondContact NZ-OD1 3.43Å; K82-D98 IonicContact NZ-OD2 2.76Å; K82-D98 PolarHBondContact NZ-OD2 3.22Å; Q95-D98 VanDerWaalsContact O-CB 3.31Å; Q95-D98 WeakPolarHBondContact O-CB 3.32Å; Q95-D98 PolarHBondContact O-N 3.46Å; D98-K315 WeakPolarHBondContact O-CE 3.4Å; D98-K315 PolarHBondContact O-NZ 2.91Å
99F96.7Very high91.6Very high8 Ų848.5 Ų48.54%0.03524%0.236CC..  trans-99.68.1177.256.8-117.4000113.2L78 I96 L97 V281 I282 W317 L318L78-F99 HydrophobicContact CD1-CE2 4.18Å; L78-F99 HydrophobicContact CD2-CE2 3.83Å; L78-F99 HydrophobicContact CD2-CZ 3.67Å; I96-F99 WeakPolarHBondContact O-CD1 3.24Å; L97-F99 HydrophobicContact CB-CE1 4.4Å; L97-F99 HydrophobicContact CD2-CE1 3.67Å; L97-F99 HydrophobicContact CD2-CZ 4.14Å; L97-F99 PolarHBondContact O-N 2.76Å; F99-V281 HydrophobicContact CD1-CG1 4.09Å; F99-V281 HydrophobicContact CE1-CG1 4.21Å; F99-I282 HydrophobicContact CB-CD1 4.15Å; F99-I282 HydrophobicContact CB-CG1 3.64Å; F99-I282 HydrophobicContact CD1-CG1 4.07Å; F99-I282 HydrophobicContact CD2-CB 4.41Å; F99-I282 HydrophobicContact CD2-CG1 3.76Å; F99-I282 HydrophobicContact CD2-CG2 4.42Å; F99-I282 HydrophobicContact CE2-CG1 4.43Å; F99-I282 HydrophobicContact CE2-CG2 4.49Å; F99-I282 HydrophobicContact CG-CG1 3.57Å; F99-W317 CarbonylContact O-C 3.56Å; F99-W317 VanDerWaalsContact O-CA 3.28Å; F99-W317 WeakPolarHBondContact O-CA 3.45Å; F99-L318 HydrophobicContact CD2-CB 4.02Å; F99-L318 HydrophobicContact CD2-CD2 4.4Å; F99-L318 HydrophobicContact CE2-CB 4.47Å; F99-L318 HydrophobicContact CE2-CD2 4.02Å; F99-L318 PolarHBondContact O-N 3Å
100F97.4Very high91.8Very high17 Ų1746.6 Ų46.68%0.07523%0.229CC..SBendtrans-125.5147.3174.663.1-82.4000110.4V75 L78 K79 L97 L318V75-F100 HydrophobicContact CG1-CE2 4.09Å; V75-F100 HydrophobicContact CG2-CD2 4.23Å; L78-F100 HydrophobicContact CB-CD1 4.2Å; L78-F100 HydrophobicContact CB-CE1 3.63Å; L78-F100 HydrophobicContact CB-CZ 3.85Å; L78-F100 HydrophobicContact CD1-CD1 3.77Å; L78-F100 HydrophobicContact CD1-CE1 4.09Å; L78-F100 HydrophobicContact CD1-CG 4.1Å; L78-F100 HydrophobicContact CG-CD1 4.47Å; L78-F100 HydrophobicContact CG-CE1 4.34Å; K79-F100 HydrophobicContact CG-CE2 4.47Å; K79-F100 HydrophobicContact CG-CZ 4.3Å; L97-F100 WeakPolarHBondContact O-CD1 3.38Å; L97-F100 WeakPolarHBondContact O-CE1 3.33Å; F100-L318 HydrophobicContact CB-CB 4.48Å
101P96.5Very high92.1Very high7 Ų752.2 Ų52.25%0.04525%0.25CS..  trans-61151.7178.7-23.433.6000112.5T103 R178 V180 W317P101-T103 PolarHBondContact O-N 3.12Å; P101-T103 VanDerWaalsContact O-N 3.12Å; P101-T103 PolarHBondContact O-OG1 3.33Å; P101-R178 WeakPolarHBondContact CB-O 3.41Å; P101-V180 HydrophobicContact CG-CG2 4.28Å; P101-W317 HydrophobicContact CG-CE3 4.39Å
102T96Very high92.4Very high37 Ų3749.3 Ų49.323%0.22724%0.24CC..  trans-57.2119.5171.1-52.30000109.2F104 E116 W125 S177 R178T102-F104 HydrophobicContact CG2-CE2 3.65Å; T102-F104 HydrophobicContact CG2-CZ 3.85Å; T102-E116 HydrophobicContact CG2-CG 4.16Å; T102-W125 HydrophobicContact CG2-CH2 4.4Å; T102-S177 CarbonylContact O-C 3.53Å; T102-S177 VanDerWaalsContact O-CA 3.3Å; T102-S177 WeakPolarHBondContact O-CA 3.49Å; T102-R178 PolarHBondContact O-N 3.43Å; T102-R178 PolarHBondContact OG1-NH2 2.98Å
103T96.3Very high92.7Very high2 Ų242.1 Ų42.11%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-134142.2-170.9-650000111.2V75 K79 P101 V175 V176 S177V75-T103 HydrophobicContact CB-CG2 4.38Å; V75-T103 HydrophobicContact CG1-CG2 4.15Å; V75-T103 HydrophobicContact CG2-CG2 3.88Å; K79-T103 WeakPolarHBondContact CE-O 3.47Å; K79-T103 PolarHBondContact NZ-O 3.34Å; P101-T103 PolarHBondContact O-N 3.12Å; P101-T103 VanDerWaalsContact O-N 3.12Å; P101-T103 PolarHBondContact O-OG1 3.33Å; T103-V175 HydrophobicContact CG2-CG1 3.23Å; T103-V176 CarbonylContact C-O 3.58Å; T103-V176 VanDerWaalsContact CA-O 3.25Å; T103-V176 WeakPolarHBondContact CA-O 3.37Å; T103-S177 WeakPolarHBondContact CG2-OG 3.36Å; T103-S177 WeakPolarHBondContact OG1-CB 3.42Å; T103-S177 PolarHBondContact OG1-OG 3.33Å
104F95.2Very high93.2Very high17 Ų1741.1 Ų41.18%0.07520%0.202CC..EExtended strand (participates in β ladder)trans-133.1150.8175.9-55.2-84.1000111.8T102 E109 M112 F113 E116 W125 V175 V176T102-F104 HydrophobicContact CG2-CE2 3.65Å; T102-F104 HydrophobicContact CG2-CZ 3.85Å; F104-E109 WeakPolarHBondContact CA-OE2 3.07Å; F104-E109 HydrophobicContact CB-CB 4Å; F104-E109 HydrophobicContact CD1-CB 4.15Å; F104-M112 HydrophobicContact CD1-CB 4.04Å; F104-M112 HydrophobicContact CE1-CB 3.84Å; F104-M112 HydrophobicContact CE1-CE 4.47Å; F104-F113 HydrophobicContact CB-CB 4Å; F104-F113 HydrophobicContact CD1-CB 4.5Å; F104-F113 HydrophobicContact CD2-CB 3.79Å; F104-F113 AromaticContact CD2-CD2 3.96Å; F104-F113 HydrophobicContact CD2-CD2 3.96Å; F104-F113 HydrophobicContact CD2-CG 4.37Å; F104-F113 HydrophobicContact CE2-CB 4.37Å; F104-F113 HydrophobicContact CE2-CD2 4.43Å; F104-F113 HydrophobicContact CG-CB 3.85Å; F104-E116 HydrophobicContact CE2-CB 3.94Å; F104-E116 HydrophobicContact CE2-CG 4.09Å; F104-E116 HydrophobicContact CZ-CB 3.78Å; F104-E116 HydrophobicContact CZ-CG 4.06Å; F104-W125 HydrophobicContact CD2-CH2 4.4Å; F104-W125 HydrophobicContact CD2-CZ3 4.08Å; F104-W125 AromaticContact CE2-CH2 3.93Å; F104-W125 HydrophobicContact CE2-CH2 3.93Å; F104-W125 HydrophobicContact CE2-CZ3 4.05Å; F104-V175 WeakPolarHBondContact O-CA 3.36Å; F104-V176 HydrophobicContact CB-CG1 3.77Å; F104-V176 HydrophobicContact CD2-CG1 4.38Å; F104-V176 PolarHBondContact N-O 2.9Å; F104-V176 PolarHBondContact O-N 2.85Å
105E92.9Very high93.5Very high48 Ų4847.1 Ų47.122%0.22423%0.23CC..EExtended strand (participates in β ladder)trans-99.9122.5174.4-179.5170.1-155.300110.9N72 M108 E109 T173N72-E105 HydrophobicContact CB-CG 4.37Å; N72-E105 PolarHBondContact ND2-OE1 2.75Å; E105-M108 PolarHBondContact O-N 2.83Å; E105-E109 PolarHBondContact N-OE2 3.28Å; E105-E109 WeakPolarHBondContact O-CA 3.25Å; E105-E109 WeakPolarHBondContact O-CB 3.48Å; E105-E109 PolarHBondContact O-N 2.94Å; E105-T173 HydrophobicContact CG-CG2 3.83Å
106L91Very high93.7Very high0 Ų043.8 Ų43.80%021%0.214CC..EExtended strand (participates in β ladder)trans-105.6140.5-178.1-55.1-175000110.8Y110 F113 M127 W150 T173 Y174 V176L106-Y110 HydrophobicContact CD2-CD2 4.14Å; L106-F113 HydrophobicContact CD2-CB 4.22Å; L106-F113 HydrophobicContact CD2-CD1 4.39Å; L106-F113 HydrophobicContact CD2-CG 4.46Å; L106-M127 HydrophobicContact CD1-SD 4.37Å; L106-W150 HydrophobicContact CB-CH2 3.56Å; L106-W150 HydrophobicContact CB-CZ2 4.38Å; L106-W150 HydrophobicContact CB-CZ3 4.11Å; L106-W150 HydrophobicContact CD1-CH2 4.25Å; L106-W150 HydrophobicContact CD1-CZ3 4.05Å; L106-T173 WeakPolarHBondContact O-CG2 3.3Å; L106-Y174 PolarHBondContact N-O 3.15Å; L106-Y174 PolarHBondContact O-N 2.83Å; L106-V176 HydrophobicContact CD1-CB 4.12Å; L106-V176 HydrophobicContact CD1-CG1 3.92Å; L106-V176 HydrophobicContact CD2-CG1 4.1Å; L106-V176 HydrophobicContact CG-CB 4.43Å; L106-V176 HydrophobicContact CG-CG1 3.88Å
107P89.6Confident93.8Very high31 Ų3142.3 Ų42.320%0.20121%0.206CC..THydrogen-bonded Turncis-86.9-4.98.832.2-34.1000115.6E109 Y110 M155P107-E109 PolarHBondContact O-N 2.92Å; P107-Y110 VanDerWaalsContact O-CB 3.26Å; P107-Y110 WeakPolarHBondContact O-CB 3.39Å; P107-Y110 PolarHBondContact O-N 3.23Å; P107-M155 HydrophobicContact CB-CE 4.21Å
108M89.3Confident93.9Very high151 Ų15151.1 Ų51.174%0.74424%0.239SC*.THydrogen-bonded Turntrans-59.6-44.1-169.8-66.1-61.797.900114.6E105E105-M108 PolarHBondContact O-N 2.83Å
109E93.1Very high93.8Very high47 Ų4757.1 Ų57.122%0.2226%0.258CS..THydrogen-bonded Turntrans-99.620.4-179.7-62-175.7124.300112.1K79 F104 E105 P107 H111 M112 F113K79-E109 IonicContact NZ-OE1 2.95Å; K79-E109 PolarHBondContact NZ-OE1 3.43Å; K79-E109 IonicContact NZ-OE2 3.98Å; F104-E109 WeakPolarHBondContact CA-OE2 3.07Å; F104-E109 HydrophobicContact CB-CB 4Å; F104-E109 HydrophobicContact CD1-CB 4.15Å; E105-E109 PolarHBondContact N-OE2 3.28Å; E105-E109 WeakPolarHBondContact O-CA 3.25Å; E105-E109 WeakPolarHBondContact O-CB 3.48Å; E105-E109 PolarHBondContact O-N 2.94Å; P107-E109 PolarHBondContact O-N 2.92Å; E109-H111 VanDerWaalsContact C-N 3.35Å; E109-H111 PolarHBondContact O-N 3.27Å; E109-M112 HydrophobicContact CB-SD 4.37Å; E109-M112 HydrophobicContact CG-SD 4.27Å; E109-M112 PolarHBondContact O-N 3.25Å; E109-F113 PolarHBondContact O-N 3.44Å
110Y91.6Very high93.5Very high30 Ų3058.7 Ų58.712%0.11827%0.27CS..Hα-helixtrans-56.7-44-175.6-179.4-99.4000113.2L106 P107 M112 F113 I114L106-Y110 HydrophobicContact CD2-CD2 4.14Å; P107-Y110 VanDerWaalsContact O-CB 3.26Å; P107-Y110 WeakPolarHBondContact O-CB 3.39Å; P107-Y110 PolarHBondContact O-N 3.23Å; Y110-M112 PolarHBondContact O-N 2.91Å; Y110-F113 HydrophobicContact CD2-CD1 4.38Å; Y110-F113 WeakPolarHBondContact O-CB 3.43Å; Y110-F113 PolarHBondContact O-N 3.34Å; Y110-I114 HydrophobicContact CD1-CG1 4.05Å; Y110-I114 HydrophobicContact CD2-CG1 4.47Å; Y110-I114 HydrophobicContact CE1-CD1 4.21Å; Y110-I114 HydrophobicContact CE1-CG1 3.67Å; Y110-I114 HydrophobicContact CE2-CD1 4.05Å; Y110-I114 HydrophobicContact CE2-CG1 4.13Å; Y110-I114 HydrophobicContact CG-CG1 4.45Å; Y110-I114 VanDerWaalsContact O-CG1 3.29Å; Y110-I114 WeakPolarHBondContact O-CG1 3.38Å; Y110-I114 PolarHBondContact O-N 2.75Å
111H92.6Very high93.1Very high158 Ų15863.1 Ų63.173%0.73130%0.3SS*.Hα-helixtrans-63.1-42.1179-71.2-75.7000112.5E109 F113 I114 E115E109-H111 VanDerWaalsContact C-N 3.35Å; E109-H111 PolarHBondContact O-N 3.27Å; H111-F113 VanDerWaalsContact C-N 3.35Å; H111-I114 PolarHBondContact O-N 2.84Å; H111-E115 PolarHBondContact O-N 2.88Å
112M94.5Very high92.6Very high88 Ų8865.3 Ų65.343%0.43332%0.324SS..Hα-helixtrans-64.6-41.5176.7-60.917565.600111.2F104 E109 Y110 E115 E116F104-M112 HydrophobicContact CD1-CB 4.04Å; F104-M112 HydrophobicContact CE1-CB 3.84Å; F104-M112 HydrophobicContact CE1-CE 4.47Å; E109-M112 HydrophobicContact CB-SD 4.37Å; E109-M112 HydrophobicContact CG-SD 4.27Å; E109-M112 PolarHBondContact O-N 3.25Å; Y110-M112 PolarHBondContact O-N 2.91Å; M112-E115 PolarHBondContact O-N 3.21Å; M112-E116 PolarHBondContact O-N 2.83Å; M112-E116 VanDerWaalsContact O-N 3.08Å
113F94.6Very high92.4Very high0 Ų064.5 Ų64.50%032%0.32CS..Hα-helixtrans-59.8-46.4173.8160.9-107.7000111.8F104 L106 E109 Y110 H111 E115 E116 F117 W125 F141 L144 I147 V176F104-F113 HydrophobicContact CB-CB 4Å; F104-F113 HydrophobicContact CD1-CB 4.5Å; F104-F113 HydrophobicContact CD2-CB 3.79Å; F104-F113 AromaticContact CD2-CD2 3.96Å; F104-F113 HydrophobicContact CD2-CD2 3.96Å; F104-F113 HydrophobicContact CD2-CG 4.37Å; F104-F113 HydrophobicContact CE2-CB 4.37Å; F104-F113 HydrophobicContact CE2-CD2 4.43Å; F104-F113 HydrophobicContact CG-CB 3.85Å; L106-F113 HydrophobicContact CD2-CB 4.22Å; L106-F113 HydrophobicContact CD2-CD1 4.39Å; L106-F113 HydrophobicContact CD2-CG 4.46Å; E109-F113 PolarHBondContact O-N 3.44Å; Y110-F113 HydrophobicContact CD2-CD1 4.38Å; Y110-F113 WeakPolarHBondContact O-CB 3.43Å; Y110-F113 PolarHBondContact O-N 3.34Å; H111-F113 VanDerWaalsContact C-N 3.35Å; F113-E115 VanDerWaalsContact C-N 3.33Å; F113-E115 PolarHBondContact O-N 3.39Å; F113-E116 PolarHBondContact O-N 3.14Å; F113-F117 HydrophobicContact CE2-CB 4.16Å; F113-F117 AromaticContact CE2-CD2 3.97Å; F113-F117 HydrophobicContact CE2-CD2 3.97Å; F113-F117 HydrophobicContact CE2-CG 4.5Å; F113-F117 HydrophobicContact CZ-CB 4.21Å; F113-F117 AromaticContact CZ-CD2 3.73Å; F113-F117 HydrophobicContact CZ-CD2 3.73Å; F113-F117 HydrophobicContact CZ-CG 4.25Å; F113-F117 VanDerWaalsContact O-CB 3.26Å; F113-F117 WeakPolarHBondContact O-CB 3.46Å; F113-F117 PolarHBondContact O-N 3.47Å; F113-W125 HydrophobicContact CD2-CE3 4.19Å; F113-W125 HydrophobicContact CD2-CH2 4.28Å; F113-W125 HydrophobicContact CD2-CZ3 4.05Å; F113-W125 AromaticContact CE2-CD2 3.78Å; F113-W125 HydrophobicContact CE2-CD2 3.78Å; F113-W125 AromaticContact CE2-CE3 3.79Å; F113-W125 HydrophobicContact CE2-CE3 3.79Å; F113-W125 HydrophobicContact CE2-CG 4.3Å; F113-W125 HydrophobicContact CE2-CH2 4.33Å; F113-W125 HydrophobicContact CE2-CZ2 4.33Å; F113-W125 HydrophobicContact CE2-CZ3 4.07Å; F113-F141 HydrophobicContact CE2-CZ 4.2Å; F113-F141 AromaticContact CZ-CE2 3.84Å; F113-F141 HydrophobicContact CZ-CE2 3.84Å; F113-F141 AromaticContact CZ-CZ 3.68Å; F113-F141 HydrophobicContact CZ-CZ 3.68Å; F113-L144 HydrophobicContact CE1-CD2 3.96Å; F113-L144 HydrophobicContact CZ-CD2 4.16Å; F113-I147 HydrophobicContact CE1-CD1 3.65Å; F113-I147 HydrophobicContact CZ-CD1 4.16Å; F113-V176 HydrophobicContact CB-CG1 4.39Å; F113-V176 HydrophobicContact CD2-CG1 3.7Å; F113-V176 HydrophobicContact CD2-CG2 4.19Å; F113-V176 HydrophobicContact CE2-CG1 4.16Å; F113-V176 HydrophobicContact CE2-CG2 3.8Å; F113-V176 HydrophobicContact CG-CG1 3.95Å; F113-V176 HydrophobicContact CZ-CG2 4.25Å
114I93Very high92.3Very high13 Ų1364.7 Ų64.77%0.06732%0.321CS..Hα-helixtrans-63.2-40.2179.9-68.4-63.5000111.8Y110 H111 F117 R118 L144Y110-I114 HydrophobicContact CD1-CG1 4.05Å; Y110-I114 HydrophobicContact CD2-CG1 4.47Å; Y110-I114 HydrophobicContact CE1-CD1 4.21Å; Y110-I114 HydrophobicContact CE1-CG1 3.67Å; Y110-I114 HydrophobicContact CE2-CD1 4.05Å; Y110-I114 HydrophobicContact CE2-CG1 4.13Å; Y110-I114 HydrophobicContact CG-CG1 4.45Å; Y110-I114 VanDerWaalsContact O-CG1 3.29Å; Y110-I114 WeakPolarHBondContact O-CG1 3.38Å; Y110-I114 PolarHBondContact O-N 2.75Å; H111-I114 PolarHBondContact O-N 2.84Å; I114-F117 PolarHBondContact O-N 3.03Å; I114-R118 VanDerWaalsContact CG2-CZ 3.5Å; I114-R118 WeakPolarHBondContact O-CB 3.48Å; I114-R118 VanDerWaalsContact O-CG 3.28Å; I114-R118 WeakPolarHBondContact O-CG 3.37Å; I114-R118 PolarHBondContact O-N 3.36Å; I114-L144 HydrophobicContact CD1-CD1 3.79Å; I114-L144 HydrophobicContact CD1-CD2 3.44Å; I114-L144 VanDerWaalsContact CD1-CD2 3.44Å; I114-L144 HydrophobicContact CD1-CG 4.24Å
115E94.8Very high92.3Very high125 Ų12564 Ų6458%0.58432%0.317SS*.Hα-helixtrans-59.9-50.4175.2-172.4-179170.600111H111 M112 F113 F117 R118 R119H111-E115 PolarHBondContact O-N 2.88Å; M112-E115 PolarHBondContact O-N 3.21Å; F113-E115 VanDerWaalsContact C-N 3.33Å; F113-E115 PolarHBondContact O-N 3.39Å; E115-F117 PolarHBondContact O-N 3.25Å; E115-R118 PolarHBondContact O-N 3.47Å; E115-R119 WeakPolarHBondContact O-CG 3.36Å; E115-R119 PolarHBondContact O-N 2.88Å; E115-R119 VanDerWaalsContact O-N 3.12Å
116E94.4Very high92.3Very high37 Ų3762.5 Ų62.517%0.17331%0.311CS..Hα-helixtrans-65.1-39.7178.9-171.964.8-172.800112.4T102 F104 M112 F113 R118 R119 C120 W125T102-E116 HydrophobicContact CG2-CG 4.16Å; F104-E116 HydrophobicContact CE2-CB 3.94Å; F104-E116 HydrophobicContact CE2-CG 4.09Å; F104-E116 HydrophobicContact CZ-CB 3.78Å; F104-E116 HydrophobicContact CZ-CG 4.06Å; M112-E116 PolarHBondContact O-N 2.83Å; M112-E116 VanDerWaalsContact O-N 3.08Å; F113-E116 PolarHBondContact O-N 3.14Å; E116-R118 VanDerWaalsContact C-N 3.3Å; E116-R118 PolarHBondContact O-N 2.96Å; E116-R119 PolarHBondContact O-N 3.25Å; E116-R119 VanDerWaalsContact O-N 3.16Å; E116-R119 IonicContact OE2-NH1 3.42Å; E116-R119 PolarHBondContact OE2-NH1 3.29Å; E116-C120 PolarHBondContact O-N 2.98Å; E116-W125 HydrophobicContact CG-CH2 4.09Å; E116-W125 HydrophobicContact CG-CZ2 4.42Å
117F93.4Very high92.2Very high19 Ų1962.5 Ų62.58%0.08331%0.311CS..Hα-helixtrans-59-41.5175.6-175-81.3000111.6F113 I114 E115 R119 C120 W125 F141 R142 L144F113-F117 HydrophobicContact CE2-CB 4.16Å; F113-F117 AromaticContact CE2-CD2 3.97Å; F113-F117 HydrophobicContact CE2-CD2 3.97Å; F113-F117 HydrophobicContact CE2-CG 4.5Å; F113-F117 HydrophobicContact CZ-CB 4.21Å; F113-F117 AromaticContact CZ-CD2 3.73Å; F113-F117 HydrophobicContact CZ-CD2 3.73Å; F113-F117 HydrophobicContact CZ-CG 4.25Å; F113-F117 VanDerWaalsContact O-CB 3.26Å; F113-F117 WeakPolarHBondContact O-CB 3.46Å; F113-F117 PolarHBondContact O-N 3.47Å; I114-F117 PolarHBondContact O-N 3.03Å; E115-F117 PolarHBondContact O-N 3.25Å; F117-R119 VanDerWaalsContact C-N 3.35Å; F117-C120 CarbonylContact O-C 3.42Å; F117-C120 PolarHBondContact O-N 3.43Å; F117-W125 AromaticContact CD2-CD1 3.61Å; F117-W125 AromaticContact CD2-CE2 3.98Å; F117-W125 HydrophobicContact CD2-CG 4.36Å; F117-W125 AromaticContact CD2-NE1 3.35Å; F117-W125 AromaticContact CE2-CD1 3.61Å; F117-W125 AromaticContact CE2-NE1 3.76Å; F117-F141 HydrophobicContact CD2-CE2 4.34Å; F117-F141 HydrophobicContact CE2-CD2 4.36Å; F117-F141 AromaticContact CE2-CE2 3.89Å; F117-F141 HydrophobicContact CE2-CE2 3.89Å; F117-R142 WeakPolarHBondContact CZ-O 3.47Å; F117-L144 HydrophobicContact CD1-CD1 3.97Å; F117-L144 HydrophobicContact CD1-CD2 3.75Å; F117-L144 HydrophobicContact CD1-CG 3.72Å; F117-L144 HydrophobicContact CD2-CD2 4.05Å; F117-L144 HydrophobicContact CE1-CD1 4.12Å; F117-L144 HydrophobicContact CE1-CD2 3.89Å; F117-L144 HydrophobicContact CE1-CG 3.54Å; F117-L144 HydrophobicContact CE2-CD2 4.16Å; F117-L144 HydrophobicContact CG-CD2 3.85Å; F117-L144 HydrophobicContact CG-CG 4.34Å; F117-L144 HydrophobicContact CZ-CD2 4.08Å; F117-L144 HydrophobicContact CZ-CG 3.99Å
118R93.2Very high92.2Very high185 Ų18564 Ų6470%0.69831%0.314SS*.Hα-helixtrans-69.6-30.6177.5-73.1172.1-178.6168.20.9112.8I114 E115 E116 C120I114-R118 VanDerWaalsContact CG2-CZ 3.5Å; I114-R118 WeakPolarHBondContact O-CB 3.48Å; I114-R118 VanDerWaalsContact O-CG 3.28Å; I114-R118 WeakPolarHBondContact O-CG 3.37Å; I114-R118 PolarHBondContact O-N 3.36Å; E115-R118 PolarHBondContact O-N 3.47Å; E116-R118 VanDerWaalsContact C-N 3.3Å; E116-R118 PolarHBondContact O-N 2.96Å; R118-C120 VanDerWaalsContact C-N 3.3Å
119R94.1Very high92.1Very high180 Ų18057.2 Ų57.268%0.67928%0.281SS*.Hα-helixtrans-71.2-25175.8-69.8177.971.5-166.76.4113E115 E116 F117 P121E115-R119 WeakPolarHBondContact O-CG 3.36Å; E115-R119 PolarHBondContact O-N 2.88Å; E115-R119 VanDerWaalsContact O-N 3.12Å; E116-R119 PolarHBondContact O-N 3.25Å; E116-R119 VanDerWaalsContact O-N 3.16Å; E116-R119 IonicContact OE2-NH1 3.42Å; E116-R119 PolarHBondContact OE2-NH1 3.29Å; F117-R119 VanDerWaalsContact C-N 3.35Å; R119-P121 VanDerWaalsContact C-CD 3.47Å; R119-P121 WeakPolarHBondContact O-CD 3.45Å
120C90.9Very high91.4Very high40 Ų4057.3 Ų57.327%0.2729%0.285SS..SBendtrans-120.469.5179.7-62.20000111.2E116 F117 R118 G122 S123E116-C120 PolarHBondContact O-N 2.98Å; F117-C120 CarbonylContact O-C 3.42Å; F117-C120 PolarHBondContact O-N 3.43Å; R118-C120 VanDerWaalsContact C-N 3.3Å; C120-G122 PolarHBondContact O-N 3.08Å; C120-S123 VanDerWaalsContact O-CB 3.24Å; C120-S123 WeakPolarHBondContact O-CB 3.25Å; C120-S123 PolarHBondContact O-N 3.28Å; C120-S123 PolarHBondContact O-OG 3.33Å
121P87.3Confident90.4Very high111 Ų11160.5 Ų60.572%0.72132%0.318SS*.THydrogen-bonded Turntrans-59.3138.2-178.825.9-34.2000111.4R119 S123R119-P121 VanDerWaalsContact C-CD 3.47Å; R119-P121 WeakPolarHBondContact O-CD 3.45Å; P121-S123 PolarHBondContact O-N 3.18Å
122G86.8Confident89.4Confident52 Ų5258.1 Ų58.154%0.53631%0.305SS..THydrogen-bonded Turntrans78.1-0.8-179.100000115.1C120 R142C120-G122 PolarHBondContact O-N 3.08Å; G122-R142 WeakPolarHBondContact O-CG 3.31Å
123S92.6Very high88.1Confident20 Ų2058 Ų5814%0.1431%0.313CS..  trans-62143.1172.856.10000111.7C120 P121 W125C120-S123 VanDerWaalsContact O-CB 3.24Å; C120-S123 WeakPolarHBondContact O-CB 3.25Å; C120-S123 PolarHBondContact O-N 3.28Å; C120-S123 PolarHBondContact O-OG 3.33Å; P121-S123 PolarHBondContact O-N 3.18Å; S123-W125 PolarHBondContact OG-NE1 3.37Å
124I93.8Very high86.8Confident7 Ų763.2 Ų63.24%0.03634%0.337CS..  trans-94.8136.6176.7-59171.1000108.2L140 R142 Y179 T181 L224 I227I124-L140 HydrophobicContact CG2-CB 4.28Å; I124-L140 HydrophobicContact CG2-CD2 3.92Å; I124-L140 HydrophobicContact CG2-CG 4.47Å; I124-R142 HydrophobicContact CG1-CG 4.27Å; I124-Y179 HydrophobicContact CG2-CD1 4.38Å; I124-Y179 HydrophobicContact CG2-CG 4.24Å; I124-Y179 VanDerWaalsContact O-CB 3.3Å; I124-Y179 WeakPolarHBondContact O-CB 3.27Å; I124-Y179 PolarHBondContact O-N 2.93Å; I124-T181 HydrophobicContact CB-CG2 4.25Å; I124-T181 HydrophobicContact CD1-CG2 4.06Å; I124-T181 HydrophobicContact CG1-CG2 4.42Å; I124-L224 HydrophobicContact CD1-CD2 3.95Å; I124-I227 HydrophobicContact CD1-CG2 3.94Å
125W94.6Very high85.4Confident1 Ų163 Ų630%0.00434%0.339CS..EExtended strand (participates in β ladder)trans-123150.9180-65.478000109.7T102 F104 F113 E116 F117 S123 L140 F141 V176 S177 R178T102-W125 HydrophobicContact CG2-CH2 4.4Å; F104-W125 HydrophobicContact CD2-CH2 4.4Å; F104-W125 HydrophobicContact CD2-CZ3 4.08Å; F104-W125 AromaticContact CE2-CH2 3.93Å; F104-W125 HydrophobicContact CE2-CH2 3.93Å; F104-W125 HydrophobicContact CE2-CZ3 4.05Å; F113-W125 HydrophobicContact CD2-CE3 4.19Å; F113-W125 HydrophobicContact CD2-CH2 4.28Å; F113-W125 HydrophobicContact CD2-CZ3 4.05Å; F113-W125 AromaticContact CE2-CD2 3.78Å; F113-W125 HydrophobicContact CE2-CD2 3.78Å; F113-W125 AromaticContact CE2-CE3 3.79Å; F113-W125 HydrophobicContact CE2-CE3 3.79Å; F113-W125 HydrophobicContact CE2-CG 4.3Å; F113-W125 HydrophobicContact CE2-CH2 4.33Å; F113-W125 HydrophobicContact CE2-CZ2 4.33Å; F113-W125 HydrophobicContact CE2-CZ3 4.07Å; E116-W125 HydrophobicContact CG-CH2 4.09Å; E116-W125 HydrophobicContact CG-CZ2 4.42Å; F117-W125 AromaticContact CD2-CD1 3.61Å; F117-W125 AromaticContact CD2-CE2 3.98Å; F117-W125 HydrophobicContact CD2-CG 4.36Å; F117-W125 AromaticContact CD2-NE1 3.35Å; F117-W125 AromaticContact CE2-CD1 3.61Å; F117-W125 AromaticContact CE2-NE1 3.76Å; S123-W125 PolarHBondContact OG-NE1 3.37Å; W125-L140 CarbonylContact O-C 3.47Å; W125-L140 WeakPolarHBondContact O-CA 3.26Å; W125-F141 HydrophobicContact CB-CD1 4.11Å; W125-F141 HydrophobicContact CB-CD2 4.35Å; W125-F141 HydrophobicContact CB-CE1 3.56Å; W125-F141 HydrophobicContact CB-CE2 3.83Å; W125-F141 HydrophobicContact CB-CG 4.48Å; W125-F141 HydrophobicContact CB-CZ 3.4Å; W125-F141 VanDerWaalsContact CB-CZ 3.4Å; W125-F141 HydrophobicContact CG-CE2 4.22Å; W125-F141 HydrophobicContact CG-CZ 4.05Å; W125-F141 PolarHBondContact N-O 3.35Å; W125-F141 PolarHBondContact O-N 2.84Å; W125-V176 HydrophobicContact CB-CG2 4.17Å; W125-V176 HydrophobicContact CD2-CG2 4.47Å; W125-V176 HydrophobicContact CE3-CG2 3.88Å; W125-S177 CarbonylContact C-O 3.53Å; W125-S177 WeakPolarHBondContact CA-O 3.49Å; W125-R178 HydrophobicContact CD2-CB 4.5Å; W125-R178 HydrophobicContact CE3-CB 4.18Å; W125-R178 VanDerWaalsContact CE3-N 3.29Å; W125-R178 HydrophobicContact CH2-CB 4.23Å; W125-R178 HydrophobicContact CZ3-CB 4.05Å
126I92.4Very high84.2Confident18 Ų1863.4 Ų63.49%0.09234%0.339CS..EExtended strand (participates in β ladder)trans-116.3127.6174.4-175.7169.4000108.7K128 I138 L140 V176 S177 Y179 L234I126-K128 HydrophobicContact CG1-CG 4.38Å; I126-I138 HydrophobicContact CD1-CG2 3.67Å; I126-I138 HydrophobicContact CG1-CG2 3.68Å; I126-L140 HydrophobicContact CB-CG 4.49Å; I126-L140 HydrophobicContact CD1-CD1 4.48Å; I126-L140 HydrophobicContact CG1-CD1 4.5Å; I126-V176 WeakPolarHBondContact O-CA 3.31Å; I126-S177 WeakPolarHBondContact CG2-O 3.26Å; I126-S177 PolarHBondContact N-O 2.89Å; I126-S177 PolarHBondContact O-N 2.85Å; I126-Y179 HydrophobicContact CB-CD2 4.19Å; I126-Y179 HydrophobicContact CD1-CD2 4.45Å; I126-Y179 HydrophobicContact CG2-CD2 4.35Å; I126-L234 HydrophobicContact CD1-CD2 4.12Å
127M90.4Very high83.4Confident0 Ų063.4 Ų63.40%035%0.349CS..EExtended strand (participates in β ladder)trans-105.6133.1176.5-143.6169.786.600109.2L106 I138 F139 F141 I147 W150 Y174 V176L106-M127 HydrophobicContact CD1-SD 4.37Å; M127-I138 WeakPolarHBondContact O-CA 3.45Å; M127-F139 HydrophobicContact CB-CD1 4.45Å; M127-F139 HydrophobicContact CB-CE1 4.08Å; M127-F139 HydrophobicContact CB-CE2 4.21Å; M127-F139 HydrophobicContact CB-CZ 3.97Å; M127-F139 HydrophobicContact CE-CE1 3.43Å; M127-F139 VanDerWaalsContact CE-CE1 3.43Å; M127-F139 HydrophobicContact CE-CE2 4.36Å; M127-F139 HydrophobicContact CE-CZ 3.22Å; M127-F139 HydrophobicContact CG-CZ 4.43Å; M127-F139 PolarHBondContact N-O 3.01Å; M127-F139 PolarHBondContact O-N 3.38Å; M127-F139 HydrophobicContact SD-CE1 4.36Å; M127-F139 HydrophobicContact SD-CE2 4.41Å; M127-F139 HydrophobicContact SD-CZ 3.76Å; M127-F141 HydrophobicContact CB-CE1 4.16Å; M127-F141 HydrophobicContact SD-CE1 4.5Å; M127-I147 HydrophobicContact SD-CG2 4.03Å; M127-W150 HydrophobicContact CE-CB 4.42Å; M127-W150 HydrophobicContact CE-CD2 3.89Å; M127-W150 HydrophobicContact CE-CG 3.75Å; M127-Y174 HydrophobicContact CE-CD1 3.32Å; M127-Y174 HydrophobicContact CE-CD2 4.3Å; M127-Y174 HydrophobicContact CE-CE1 3.67Å; M127-Y174 HydrophobicContact CE-CG 3.67Å; M127-Y174 HydrophobicContact CG-CD1 3.86Å; M127-Y174 HydrophobicContact CG-CG 4.32Å; M127-Y174 HydrophobicContact SD-CD1 4.34Å; M127-V176 HydrophobicContact CG-CB 4.33Å
128K89.2Confident82.9Confident62 Ų6263.3 Ų63.327%0.2735%0.349SS..EExtended strand (participates in β ladder)trans-132.3134.7176.4-55.7-169.2-179.5-174.80110.1I126 I138 Y174 V175 E320I126-K128 HydrophobicContact CG1-CG 4.38Å; K128-I138 HydrophobicContact CB-CG1 4.31Å; K128-I138 HydrophobicContact CD-CD1 3.78Å; K128-I138 HydrophobicContact CD-CG1 4.31Å; K128-I138 HydrophobicContact CG-CD1 3.9Å; K128-I138 HydrophobicContact CG-CG1 3.87Å; K128-I138 HydrophobicContact CG-CG2 4.1Å; K128-Y174 VanDerWaalsContact C-CD1 3.49Å; K128-Y174 CarbonylContact O-C 3.52Å; K128-Y174 WeakPolarHBondContact O-CA 3.09Å; K128-V175 PolarHBondContact N-O 3.15Å; K128-V175 PolarHBondContact O-N 3.2Å; K128-E320 IonicContact NZ-OE2 3.64Å
129P85.9Confident82.6Confident8 Ų857.5 Ų57.55%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-64.2142.8168.928.4-37.2000110.6K132 K136 G137 Y174P129-K132 HydrophobicContact CB-CB 4.18Å; P129-K132 HydrophobicContact CB-CD 4.02Å; P129-K132 HydrophobicContact CB-CG 4.1Å; P129-K132 HydrophobicContact CG-CB 3.6Å; P129-K132 HydrophobicContact CG-CD 3.78Å; P129-K132 HydrophobicContact CG-CG 3.96Å; P129-K136 WeakPolarHBondContact CG-O 3.28Å; P129-G137 WeakPolarHBondContact CD-O 3.41Å; P129-Y174 HydrophobicContact CB-CD1 4.24Å; P129-Y174 HydrophobicContact CB-CE1 3.89Å; P129-Y174 HydrophobicContact CG-CE1 4.35Å
130V80.1Confident82.4Confident49 Ų4949.4 Ų49.430%0.29730%0.299SS..SBendtrans-68.6-35.9-178.9173.70000112.2T173 V175V130-T173 HydrophobicContact CG2-CG2 3.7Å; V130-T173 WeakPolarHBondContact CG2-O 3.43Å; V130-T173 PolarHBondContact N-O 3.36Å; V130-V175 HydrophobicContact CG2-CG2 3.6Å
131A70.7Confident82.4Confident98 Ų9847.6 Ų47.681%0.8129%0.287SS*.SBendtrans-97.8-9.7-170.900000114.6
132K70.4Confident82.5Confident108 Ų10847.1 Ų47.147%0.4727%0.271SS..  trans-100.1146.4-178.6-54.6172.2168.3151.30110.9P129 E172P129-K132 HydrophobicContact CB-CB 4.18Å; P129-K132 HydrophobicContact CB-CD 4.02Å; P129-K132 HydrophobicContact CB-CG 4.1Å; P129-K132 HydrophobicContact CG-CB 3.6Å; P129-K132 HydrophobicContact CG-CD 3.78Å; P129-K132 HydrophobicContact CG-CG 3.96Å; K132-E172 WeakPolarHBondContact CE-OE1 3.49Å; K132-E172 IonicContact NZ-OE1 3.98Å; K132-E172 PolarHBondContact NZ-OE1 2.92Å; K132-E172 IonicContact NZ-OE2 2.71Å
133S68.1Low82.6Confident86 Ų8651.2 Ų51.260%0.60127%0.274SS*.  trans-115.6-173.8177.864.20000111.1G135 K136S133-G135 VanDerWaalsContact C-N 3.25Å; S133-G135 PolarHBondContact O-N 3.16Å; S133-G135 VanDerWaalsContact O-N 3.15Å; S133-K136 PolarHBondContact O-N 3.35Å
134Q66.6Low82.3Confident108 Ų10852.2 Ų52.251%0.50528%0.277SS..THydrogen-bonded Turntrans63.917.1172.8-54.8178.7-38.100116.5K136 A238Q134-K136 VanDerWaalsContact C-N 3.29Å; Q134-K136 PolarHBondContact O-N 3.03Å; Q134-A238 HydrophobicContact CB-CB 4.05Å
135G63.3Low81.9Confident10 Ų1059.2 Ų59.210%0.10331%0.307CS..THydrogen-bonded Turntrans84-1.2-179.700000114.9S133 I138S133-G135 VanDerWaalsContact C-N 3.25Å; S133-G135 PolarHBondContact O-N 3.16Å; S133-G135 VanDerWaalsContact O-N 3.15Å; G135-I138 WeakPolarHBondContact O-CG1 3.07Å; G135-I138 PolarHBondContact O-N 3.48Å
136K69.9Low81.4Confident132 Ų13263 Ų6357%0.57433%0.328SS*.THydrogen-bonded Turntrans-70.5131.7-179-66.4-179.6178.5173.80111.1P129 S133 Q134 I138P129-K136 WeakPolarHBondContact CG-O 3.28Å; S133-K136 PolarHBondContact O-N 3.35Å; Q134-K136 VanDerWaalsContact C-N 3.29Å; Q134-K136 PolarHBondContact O-N 3.03Å; K136-I138 VanDerWaalsContact C-N 3.26Å; K136-I138 PolarHBondContact O-N 3.26Å
137G77Confident81Confident38 Ų3862.2 Ų62.239%0.39232%0.324SS..THydrogen-bonded Turntrans7511.3179.900000114.6P129P129-G137 WeakPolarHBondContact CD-O 3.41Å
138I84.2Confident80.4Confident16 Ų1666.4 Ų66.48%0.08234%0.343CS..  trans-85.2130.2174.1-56-173.7000109.4I126 M127 K128 G135 K136 Q230 L234I126-I138 HydrophobicContact CD1-CG2 3.67Å; I126-I138 HydrophobicContact CG1-CG2 3.68Å; M127-I138 WeakPolarHBondContact O-CA 3.45Å; K128-I138 HydrophobicContact CB-CG1 4.31Å; K128-I138 HydrophobicContact CD-CD1 3.78Å; K128-I138 HydrophobicContact CD-CG1 4.31Å; K128-I138 HydrophobicContact CG-CD1 3.9Å; K128-I138 HydrophobicContact CG-CG1 3.87Å; K128-I138 HydrophobicContact CG-CG2 4.1Å; G135-I138 WeakPolarHBondContact O-CG1 3.07Å; G135-I138 PolarHBondContact O-N 3.48Å; K136-I138 VanDerWaalsContact C-N 3.26Å; K136-I138 PolarHBondContact O-N 3.26Å; I138-Q230 PolarHBondContact O-NE2 2.94Å; I138-Q230 VanDerWaalsContact O-NE2 3.12Å; I138-L234 HydrophobicContact CB-CD1 4.08Å; I138-L234 HydrophobicContact CG2-CD1 4.1Å; I138-L234 HydrophobicContact CG2-CD2 3.85Å
139F85.4Confident79.6Confident63 Ų6366.1 Ų66.128%0.27635%0.353SS..EExtended strand (participates in β ladder)trans-144.9153.9171.763.6-89.3000111.3M127 F141 I147M127-F139 HydrophobicContact CB-CD1 4.45Å; M127-F139 HydrophobicContact CB-CE1 4.08Å; M127-F139 HydrophobicContact CB-CE2 4.21Å; M127-F139 HydrophobicContact CB-CZ 3.97Å; M127-F139 HydrophobicContact CE-CE1 3.43Å; M127-F139 VanDerWaalsContact CE-CE1 3.43Å; M127-F139 HydrophobicContact CE-CE2 4.36Å; M127-F139 HydrophobicContact CE-CZ 3.22Å; M127-F139 HydrophobicContact CG-CZ 4.43Å; M127-F139 PolarHBondContact N-O 3.01Å; M127-F139 PolarHBondContact O-N 3.38Å; M127-F139 HydrophobicContact SD-CE1 4.36Å; M127-F139 HydrophobicContact SD-CE2 4.41Å; M127-F139 HydrophobicContact SD-CZ 3.76Å; F139-F141 HydrophobicContact CD2-CD1 4.34Å; F139-F141 HydrophobicContact CE2-CD1 4.03Å; F139-I147 HydrophobicContact CE2-CG2 3.91Å; F139-I147 HydrophobicContact CZ-CG2 4.19Å
140L90.1Very high79Confident11 Ų1167.5 Ų67.56%0.05836%0.357CS..EExtended strand (participates in β ladder)trans-97.5150.6173.8-72.377.3000108.9I124 W125 I126 Y179 I227 H233I124-L140 HydrophobicContact CG2-CB 4.28Å; I124-L140 HydrophobicContact CG2-CD2 3.92Å; I124-L140 HydrophobicContact CG2-CG 4.47Å; W125-L140 CarbonylContact O-C 3.47Å; W125-L140 WeakPolarHBondContact O-CA 3.26Å; I126-L140 HydrophobicContact CB-CG 4.49Å; I126-L140 HydrophobicContact CD1-CD1 4.48Å; I126-L140 HydrophobicContact CG1-CD1 4.5Å; L140-Y179 HydrophobicContact CD2-CD1 4.3Å; L140-Y179 HydrophobicContact CD2-CD2 3.75Å; L140-Y179 HydrophobicContact CD2-CE1 4.3Å; L140-Y179 HydrophobicContact CD2-CE2 3.72Å; L140-Y179 HydrophobicContact CD2-CG 4.03Å; L140-Y179 HydrophobicContact CG-CD2 4.31Å; L140-Y179 HydrophobicContact CG-CE2 4.45Å; L140-I227 HydrophobicContact CB-CB 4.44Å; L140-H233 HydrophobicContact CD1-CB 3.92Å; L140-H233 HydrophobicContact CD2-CB 4.18Å
141F91.1Very high78.6Confident1 Ų169 Ų690%0.00436%0.359CS..EExtended strand (participates in β ladder)trans-148156.4173.867.2-86.8000111.2F113 F117 W125 M127 F139 D146 I147 V176F113-F141 HydrophobicContact CE2-CZ 4.2Å; F113-F141 AromaticContact CZ-CE2 3.84Å; F113-F141 HydrophobicContact CZ-CE2 3.84Å; F113-F141 AromaticContact CZ-CZ 3.68Å; F113-F141 HydrophobicContact CZ-CZ 3.68Å; F117-F141 HydrophobicContact CD2-CE2 4.34Å; F117-F141 HydrophobicContact CE2-CD2 4.36Å; F117-F141 AromaticContact CE2-CE2 3.89Å; F117-F141 HydrophobicContact CE2-CE2 3.89Å; W125-F141 HydrophobicContact CB-CD1 4.11Å; W125-F141 HydrophobicContact CB-CD2 4.35Å; W125-F141 HydrophobicContact CB-CE1 3.56Å; W125-F141 HydrophobicContact CB-CE2 3.83Å; W125-F141 HydrophobicContact CB-CG 4.48Å; W125-F141 HydrophobicContact CB-CZ 3.4Å; W125-F141 VanDerWaalsContact CB-CZ 3.4Å; W125-F141 HydrophobicContact CG-CE2 4.22Å; W125-F141 HydrophobicContact CG-CZ 4.05Å; W125-F141 PolarHBondContact N-O 3.35Å; W125-F141 PolarHBondContact O-N 2.84Å; M127-F141 HydrophobicContact CB-CE1 4.16Å; M127-F141 HydrophobicContact SD-CE1 4.5Å; F139-F141 HydrophobicContact CD2-CD1 4.34Å; F139-F141 HydrophobicContact CE2-CD1 4.03Å; F141-D146 HydrophobicContact CB-CB 3.78Å; F141-I147 HydrophobicContact CD1-CG2 3.83Å; F141-I147 HydrophobicContact CD2-CG2 4.05Å; F141-I147 HydrophobicContact CE1-CG2 3.88Å; F141-I147 HydrophobicContact CE2-CD1 4.25Å; F141-I147 HydrophobicContact CE2-CG2 4.11Å; F141-I147 HydrophobicContact CG-CG2 3.91Å; F141-I147 HydrophobicContact CZ-CD1 4.3Å; F141-I147 HydrophobicContact CZ-CG2 4.02Å; F141-V176 HydrophobicContact CE1-CG2 3.78Å; F141-V176 HydrophobicContact CZ-CG2 3.65Å
142R90Very high78.5Confident102 Ų10272 Ų7239%0.38535%0.349SS..SBendtrans-126.4-12.4178-160.4-171.8-63.8-1751.3112.2F117 G122 I124 D146 L224 I227F117-R142 WeakPolarHBondContact CZ-O 3.47Å; G122-R142 WeakPolarHBondContact O-CG 3.31Å; I124-R142 HydrophobicContact CG1-CG 4.27Å; R142-D146 PolarHBondContact N-OD2 3.15Å; R142-L224 PolarHBondContact NH2-O 3.02Å; R142-I227 HydrophobicContact CB-CD1 4.21Å
143K88.5Confident78.2Confident138 Ų13871.5 Ų71.560%0.636%0.356SS*.SBendtrans-124.7143.7179.3-60.7175.9-176.2171.40109.7K145 D146K143-K145 PolarHBondContact O-N 3.16Å; K143-D146 PolarHBondContact N-OD2 3.48Å; K143-D146 WeakPolarHBondContact O-CB 3.39Å; K143-D146 VanDerWaalsContact O-CG 3.3Å; K143-D146 PolarHBondContact O-N 3.13Å; K143-D146 VanDerWaalsContact O-N 3.12Å
144L86.8Confident77.8Confident40 Ų4068.3 Ų68.321%0.20934%0.337CS..THydrogen-bonded Turntrans-61.8-28.3176.2-68.7176.3000112.8F113 I114 F117 D146 I147 E148F113-L144 HydrophobicContact CE1-CD2 3.96Å; F113-L144 HydrophobicContact CZ-CD2 4.16Å; I114-L144 HydrophobicContact CD1-CD1 3.79Å; I114-L144 HydrophobicContact CD1-CD2 3.44Å; I114-L144 VanDerWaalsContact CD1-CD2 3.44Å; I114-L144 HydrophobicContact CD1-CG 4.24Å; F117-L144 HydrophobicContact CD1-CD1 3.97Å; F117-L144 HydrophobicContact CD1-CD2 3.75Å; F117-L144 HydrophobicContact CD1-CG 3.72Å; F117-L144 HydrophobicContact CD2-CD2 4.05Å; F117-L144 HydrophobicContact CE1-CD1 4.12Å; F117-L144 HydrophobicContact CE1-CD2 3.89Å; F117-L144 HydrophobicContact CE1-CG 3.54Å; F117-L144 HydrophobicContact CE2-CD2 4.16Å; F117-L144 HydrophobicContact CG-CD2 3.85Å; F117-L144 HydrophobicContact CG-CG 4.34Å; F117-L144 HydrophobicContact CZ-CD2 4.08Å; F117-L144 HydrophobicContact CZ-CG 3.99Å; L144-D146 PolarHBondContact O-N 2.93Å; L144-I147 HydrophobicContact CD2-CD1 4.14Å; L144-I147 WeakPolarHBondContact O-CG1 3.42Å; L144-I147 PolarHBondContact O-N 3.48Å; L144-I147 VanDerWaalsContact O-N 3.09Å; L144-E148 PolarHBondContact O-N 3.44Å
145K85.8Confident77.1Confident155 Ų15567.9 Ų67.967%0.67434%0.336SS*.Hα-helixtrans-56.9-31.6175.6-67.2-173176.3-174.20112.7K143 I147 E148K143-K145 PolarHBondContact O-N 3.16Å; K145-I147 PolarHBondContact O-N 3.1Å; K145-E148 PolarHBondContact O-N 2.86Å
146D83.3Confident76.3Confident81 Ų8173.5 Ų73.543%0.43336%0.357SS..Hα-helixtrans-67.1-25.2-178.4-49.3-24.7000111.4F141 R142 K143 L144F141-D146 HydrophobicContact CB-CB 3.78Å; R142-D146 PolarHBondContact N-OD2 3.15Å; K143-D146 PolarHBondContact N-OD2 3.48Å; K143-D146 WeakPolarHBondContact O-CB 3.39Å; K143-D146 VanDerWaalsContact O-CG 3.3Å; K143-D146 PolarHBondContact O-N 3.13Å; K143-D146 VanDerWaalsContact O-N 3.12Å; L144-D146 PolarHBondContact O-N 2.93Å
147I83.4Confident75Confident1 Ų169.9 Ų69.91%0.00535%0.348CS..Hα-helixtrans-106.6-2177.964.1165.7000113.5F113 M127 F139 F141 L144 K145 A149 W150 K151F113-I147 HydrophobicContact CE1-CD1 3.65Å; F113-I147 HydrophobicContact CZ-CD1 4.16Å; M127-I147 HydrophobicContact SD-CG2 4.03Å; F139-I147 HydrophobicContact CE2-CG2 3.91Å; F139-I147 HydrophobicContact CZ-CG2 4.19Å; F141-I147 HydrophobicContact CD1-CG2 3.83Å; F141-I147 HydrophobicContact CD2-CG2 4.05Å; F141-I147 HydrophobicContact CE1-CG2 3.88Å; F141-I147 HydrophobicContact CE2-CD1 4.25Å; F141-I147 HydrophobicContact CE2-CG2 4.11Å; F141-I147 HydrophobicContact CG-CG2 3.91Å; F141-I147 HydrophobicContact CZ-CD1 4.3Å; F141-I147 HydrophobicContact CZ-CG2 4.02Å; L144-I147 HydrophobicContact CD2-CD1 4.14Å; L144-I147 WeakPolarHBondContact O-CG1 3.42Å; L144-I147 PolarHBondContact O-N 3.48Å; L144-I147 VanDerWaalsContact O-N 3.09Å; K145-I147 PolarHBondContact O-N 3.1Å; I147-A149 VanDerWaalsContact C-N 3.3Å; I147-A149 PolarHBondContact O-N 3.06Å; I147-W150 WeakPolarHBondContact O-CB 3.31Å; I147-W150 PolarHBondContact O-N 3.1Å; I147-K151 PolarHBondContact O-N 2.83Å
148E79Confident73.3Confident88 Ų8873.8 Ų73.841%0.41136%0.356SS..Hα-helixtrans-64.9-34.4177.6-81.9173.8-16700112.1L144 K145 K151 R152L144-E148 PolarHBondContact O-N 3.44Å; K145-E148 PolarHBondContact O-N 2.86Å; E148-K151 WeakPolarHBondContact O-CB 3.46Å; E148-K151 PolarHBondContact O-N 2.79Å; E148-R152 PolarHBondContact O-N 2.66Å; E148-R152 VanDerWaalsContact O-N 3.08Å
149A71.8Confident71Confident56 Ų5681.2 Ų81.246%0.46339%0.391SS..Hα-helixtrans-64.6-46.317400000111.1I147 K151 R152 T153I147-A149 VanDerWaalsContact C-N 3.3Å; I147-A149 PolarHBondContact O-N 3.06Å; A149-K151 VanDerWaalsContact C-N 3.29Å; A149-K151 PolarHBondContact O-N 2.81Å; A149-R152 WeakPolarHBondContact O-CB 3.37Å; A149-R152 PolarHBondContact O-N 3.03Å; A149-T153 PolarHBondContact O-N 3.3Å; A149-T153 PolarHBondContact O-OG1 3.07Å
150W73.5Confident68.8Low37 Ų3784.7 Ų84.714%0.1441%0.407CS..Hα-helixtrans-56.9-42.4173.7174.383.3000111.6L106 M127 I147 R152 T153 G154 Y174L106-W150 HydrophobicContact CB-CH2 3.56Å; L106-W150 HydrophobicContact CB-CZ2 4.38Å; L106-W150 HydrophobicContact CB-CZ3 4.11Å; L106-W150 HydrophobicContact CD1-CH2 4.25Å; L106-W150 HydrophobicContact CD1-CZ3 4.05Å; M127-W150 HydrophobicContact CE-CB 4.42Å; M127-W150 HydrophobicContact CE-CD2 3.89Å; M127-W150 HydrophobicContact CE-CG 3.75Å; I147-W150 WeakPolarHBondContact O-CB 3.31Å; I147-W150 PolarHBondContact O-N 3.1Å; W150-R152 VanDerWaalsContact C-N 3.29Å; W150-R152 PolarHBondContact O-N 3.21Å; W150-T153 PolarHBondContact O-N 3.39Å; W150-G154 WeakPolarHBondContact O-CA 3.46Å; W150-G154 PolarHBondContact O-N 3.05Å; W150-Y174 AromaticContact CD1-CE2 3.86Å; W150-Y174 AromaticContact CE2-CD2 3.53Å; W150-Y174 AromaticContact CE2-CE2 3.91Å; W150-Y174 AromaticContact CZ2-CD2 3.56Å; W150-Y174 HydrophobicContact CZ2-CD2 3.56Å; W150-Y174 HydrophobicContact CZ2-CE2 4.31Å; W150-Y174 HydrophobicContact CZ2-CG 4.15Å; W150-Y174 AromaticContact NE1-CD2 3.12Å; W150-Y174 AromaticContact NE1-CE2 3.01Å; W150-Y174 AromaticContact NE1-CG 3.91Å; W150-Y174 AromaticContact NE1-CZ 3.71Å
151K71.7Confident66.1Low80 Ų8090.2 Ų90.235%0.34844%0.442SS..Hα-helixtrans-58.8-41.4174.4-175-175.9-179.5-179.70111.9I147 E148 A149 M155I147-K151 PolarHBondContact O-N 2.83Å; E148-K151 WeakPolarHBondContact O-CB 3.46Å; E148-K151 PolarHBondContact O-N 2.79Å; A149-K151 VanDerWaalsContact C-N 3.29Å; A149-K151 PolarHBondContact O-N 2.81Å; K151-M155 HydrophobicContact CG-CE 4.03Å; K151-M155 HydrophobicContact CG-CG 4.4Å; K151-M155 HydrophobicContact CG-SD 3.72Å; K151-M155 VanDerWaalsContact O-CB 3.25Å; K151-M155 WeakPolarHBondContact O-CB 3.35Å; K151-M155 WeakPolarHBondContact O-CG 3.19Å; K151-M155 PolarHBondContact O-N 2.77Å; K151-M155 VanDerWaalsContact O-N 3.16Å
152R69.1Low63.7Low160 Ų16096.1 Ų96.160%0.60448%0.478SS*.Hα-helixtrans-71.5-37.4-176-135.4-176.9-60.1156.51.3113E148 A149 W150 K156E148-R152 PolarHBondContact O-N 2.66Å; E148-R152 VanDerWaalsContact O-N 3.08Å; A149-R152 WeakPolarHBondContact O-CB 3.37Å; A149-R152 PolarHBondContact O-N 3.03Å; W150-R152 VanDerWaalsContact C-N 3.29Å; W150-R152 PolarHBondContact O-N 3.21Å; R152-K156 VanDerWaalsContact O-CD 3.31Å; R152-K156 WeakPolarHBondContact O-CD 3.44Å; R152-K156 VanDerWaalsContact O-CG 3.26Å; R152-K156 WeakPolarHBondContact O-CG 3.4Å
153T64.3Low61.5Low99 Ų9994 Ų9461%0.60749%0.488SS*.Hα-helixtrans-85.2-45.5179.1-49.80000111.2A149 W150 K156A149-T153 PolarHBondContact O-N 3.3Å; A149-T153 PolarHBondContact O-OG1 3.07Å; W150-T153 PolarHBondContact O-N 3.39Å; T153-K156 PolarHBondContact O-N 3.22Å
154G58.5Low59.7Low19 Ų1995.9 Ų95.920%0.19651%0.505CS..Hα-helixtrans-71.3-29.2-176.400000114.4W150 P171W150-G154 WeakPolarHBondContact O-CA 3.46Å; W150-G154 PolarHBondContact O-N 3.05Å; G154-P171 WeakPolarHBondContact O-CB 3.38Å
155M52Low57.5Low99 Ų9999 Ų9949%0.48853%0.526SS..THydrogen-bonded Turntrans-82.3-15.8174.9-70.7-175.7170.500113.7P107 K151 C157P107-M155 HydrophobicContact CB-CE 4.21Å; K151-M155 HydrophobicContact CG-CE 4.03Å; K151-M155 HydrophobicContact CG-CG 4.4Å; K151-M155 HydrophobicContact CG-SD 3.72Å; K151-M155 VanDerWaalsContact O-CB 3.25Å; K151-M155 WeakPolarHBondContact O-CB 3.35Å; K151-M155 WeakPolarHBondContact O-CG 3.19Å; K151-M155 PolarHBondContact O-N 2.77Å; K151-M155 VanDerWaalsContact O-N 3.16Å; M155-C157 PolarHBondContact O-N 2.71Å
156K47Very low55.5Low128 Ų12897.1 Ų97.156%0.55753%0.529SS*.  trans-84.3104.9174-70.8179.9-178.5-171.50107.6R152 T153 E158R152-K156 VanDerWaalsContact O-CD 3.31Å; R152-K156 WeakPolarHBondContact O-CD 3.44Å; R152-K156 VanDerWaalsContact O-CG 3.26Å; R152-K156 WeakPolarHBondContact O-CG 3.4Å; T153-K156 PolarHBondContact O-N 3.22Å; K156-E158 HydrophobicContact CB-CG 4.27Å; K156-E158 PolarHBondContact O-N 3.49Å
157C42.3Very low53.7Low56 Ų5699.7 Ų99.738%0.37854%0.543SS..  trans-61.889153.3-82.60000106.1M155 Q159 E169M155-C157 PolarHBondContact O-N 2.71Å; C157-Q159 PolarHBondContact O-N 2.99Å; C157-E169 PolarHBondContact SG-O 2.84Å
158E40.7Very low51.9Low119 Ų119109 Ų10956%0.55658%0.578SS**  trans-64.8109.4168-75.7-174.1173.600106.7K156 Q160K156-E158 HydrophobicContact CB-CG 4.27Å; K156-E158 PolarHBondContact O-N 3.49Å; E158-Q160 PolarHBondContact O-N 3.14Å
159Q37.3Very low50.6Low173 Ų173112.2 Ų112.281%0.80859%0.593SS**  trans-65.184.5167.9-68.3175.2-8.700107.3C157 T161C157-Q159 PolarHBondContact O-N 2.99Å; Q159-T161 PolarHBondContact O-N 3.17Å; Q159-T161 VanDerWaalsContact O-N 3.16Å
160Q39Very low49.9Very low135 Ų135116.2 Ų116.263%0.63161%0.606SS**  trans-75.7101.6163-76.8-172.817.100107.5E158 V162E158-Q160 PolarHBondContact O-N 3.14Å; Q160-V162 PolarHBondContact O-N 3.38Å
161T33.2Very low49.5Very low128 Ų128116.8 Ų116.879%0.78561%0.614SS**  trans-68.793.2168.3490000108.7Q159Q159-T161 PolarHBondContact O-N 3.17Å; Q159-T161 VanDerWaalsContact O-N 3.16Å
162V41.4Very low49.7Very low125 Ų125116.4 Ų116.476%0.75861%0.613SS**  trans-117.292.1161.6-175.80000106.7Q160Q160-V162 PolarHBondContact O-N 3.38Å
163G41.9Very low50.5Low58 Ų58111.2 Ų111.260%0.59860%0.6SS**SBendtrans74.2165.3-177.200000114.6T165G163-T165 PolarHBondContact O-N 3.11Å
164D50.6Low51.7Low177 Ų177107.4 Ų107.495%0.94757%0.574SS**SBendtrans-69.531.8-170.9-69.9-35.2000115.1
165T41.9Very low53.3Low106 Ų106106.8 Ų106.865%0.6557%0.567SS**SBendtrans-132.7105.2168.7-36.60000108.4G163 N167G163-T165 PolarHBondContact O-N 3.11Å; T165-N167 VanDerWaalsContact C-N 3.34Å; T165-N167 PolarHBondContact O-N 3Å
166P42.9Very low55.4Low115 Ų115102 Ų10275%0.74754%0.543SS*.  trans-65.496.617724.8-30.8000108.8R168P166-R168 PolarHBondContact O-N 2.87Å
167N45.2Very low57.7Low134 Ų13496.6 Ų96.672%0.71752%0.521SS*.  trans-65.987.7162.9-99.3-8.8000106.7T165 E169T165-N167 VanDerWaalsContact C-N 3.34Å; T165-N167 PolarHBondContact O-N 3Å; N167-E169 PolarHBondContact O-N 3.27Å
168R46.9Very low60.2Low197 Ų19798 Ų9874%0.74352%0.519SS*.  trans-66.884.9171.3-172.4178.3172.2178.5-3106.7P166 L170P166-R168 PolarHBondContact O-N 2.87Å; R168-L170 PolarHBondContact O-N 2.95Å
169E51.7Low62.8Low156 Ų15693 Ų9373%0.72950%0.495SS*.  trans-56.7112.5169.8-75.6-167165.100107.1C157 N167C157-E169 PolarHBondContact SG-O 2.84Å; N167-E169 PolarHBondContact O-N 3.27Å
170L57.2Low65.5Low140 Ų14085.6 Ų85.673%0.73346%0.461SS*.PPolyproline II helixtrans-63.2141.2177-74164000108R168 E172R168-L170 PolarHBondContact O-N 2.95Å; L170-E172 PolarHBondContact O-N 2.82Å; L170-E172 VanDerWaalsContact O-N 3.16Å
171P64.6Low68.1Low49 Ų4981.9 Ų81.932%0.31845%0.448SS..PPolyproline II helixtrans-47.7124.7172.118.2-32.2000110.6G154 T173G154-P171 WeakPolarHBondContact O-CB 3.38Å; P171-T173 PolarHBondContact O-N 3.36Å; P171-T173 VanDerWaalsContact O-N 3.15Å
172E75.4Confident71.1Confident71 Ų7178.8 Ų78.833%0.33243%0.427SS..PPolyproline II helixtrans-58.5122.3178.4-172.4178.4-154.600108.9K132 L170 Y174K132-E172 WeakPolarHBondContact CE-OE1 3.49Å; K132-E172 IonicContact NZ-OE1 3.98Å; K132-E172 PolarHBondContact NZ-OE1 2.92Å; K132-E172 IonicContact NZ-OE2 2.71Å; L170-E172 PolarHBondContact O-N 2.82Å; L170-E172 VanDerWaalsContact O-N 3.16Å; E172-Y174 HydrophobicContact CB-CD2 4.48Å; E172-Y174 HydrophobicContact CB-CE2 3.85Å; E172-Y174 HydrophobicContact CG-CD2 4.21Å; E172-Y174 HydrophobicContact CG-CE2 3.52Å; E172-Y174 VanDerWaalsContact O-CD2 3.32Å; E172-Y174 WeakPolarHBondContact O-CD2 3.22Å; E172-Y174 VanDerWaalsContact OE2-CE2 3.31Å; E172-Y174 WeakPolarHBondContact OE2-CE2 3.47Å; E172-Y174 PolarHBondContact OE2-OH 3.39Å
173T86.6Confident73.7Confident52 Ų5273.1 Ų73.132%0.31939%0.392SS..PPolyproline II helixtrans-83.4132.7-176.7-53.90000109.9E105 L106 V130 P171E105-T173 HydrophobicContact CG-CG2 3.83Å; L106-T173 WeakPolarHBondContact O-CG2 3.3Å; V130-T173 HydrophobicContact CG2-CG2 3.7Å; V130-T173 WeakPolarHBondContact CG2-O 3.43Å; V130-T173 PolarHBondContact N-O 3.36Å; P171-T173 PolarHBondContact O-N 3.36Å; P171-T173 VanDerWaalsContact O-N 3.15Å
174Y89.7Confident76.3Confident18 Ų1870.5 Ų70.57%0.07136%0.364CS..EExtended strand (participates in β ladder)trans-120.5147.9179.5-78.7-104.5000111.2L106 M127 K128 P129 W150 E172L106-Y174 PolarHBondContact N-O 3.15Å; L106-Y174 PolarHBondContact O-N 2.83Å; M127-Y174 HydrophobicContact CE-CD1 3.32Å; M127-Y174 HydrophobicContact CE-CD2 4.3Å; M127-Y174 HydrophobicContact CE-CE1 3.67Å; M127-Y174 HydrophobicContact CE-CG 3.67Å; M127-Y174 HydrophobicContact CG-CD1 3.86Å; M127-Y174 HydrophobicContact CG-CG 4.32Å; M127-Y174 HydrophobicContact SD-CD1 4.34Å; K128-Y174 VanDerWaalsContact C-CD1 3.49Å; K128-Y174 CarbonylContact O-C 3.52Å; K128-Y174 WeakPolarHBondContact O-CA 3.09Å; P129-Y174 HydrophobicContact CB-CD1 4.24Å; P129-Y174 HydrophobicContact CB-CE1 3.89Å; P129-Y174 HydrophobicContact CG-CE1 4.35Å; W150-Y174 AromaticContact CD1-CE2 3.86Å; W150-Y174 AromaticContact CE2-CD2 3.53Å; W150-Y174 AromaticContact CE2-CE2 3.91Å; W150-Y174 AromaticContact CZ2-CD2 3.56Å; W150-Y174 HydrophobicContact CZ2-CD2 3.56Å; W150-Y174 HydrophobicContact CZ2-CE2 4.31Å; W150-Y174 HydrophobicContact CZ2-CG 4.15Å; W150-Y174 AromaticContact NE1-CD2 3.12Å; W150-Y174 AromaticContact NE1-CE2 3.01Å; W150-Y174 AromaticContact NE1-CG 3.91Å; W150-Y174 AromaticContact NE1-CZ 3.71Å; E172-Y174 HydrophobicContact CB-CD2 4.48Å; E172-Y174 HydrophobicContact CB-CE2 3.85Å; E172-Y174 HydrophobicContact CG-CD2 4.21Å; E172-Y174 HydrophobicContact CG-CE2 3.52Å; E172-Y174 VanDerWaalsContact O-CD2 3.32Å; E172-Y174 WeakPolarHBondContact O-CD2 3.22Å; E172-Y174 VanDerWaalsContact OE2-CE2 3.31Å; E172-Y174 WeakPolarHBondContact OE2-CE2 3.47Å; E172-Y174 PolarHBondContact OE2-OH 3.39Å
175V92.5Very high78.5Confident6 Ų664.7 Ų64.74%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-104.5124168176.10000107.8K71 N72 T103 F104 K128 V130K71-V175 HydrophobicContact CG-CG1 3.88Å; N72-V175 HydrophobicContact CB-CG2 3.89Å; T103-V175 HydrophobicContact CG2-CG1 3.23Å; F104-V175 WeakPolarHBondContact O-CA 3.36Å; K128-V175 PolarHBondContact N-O 3.15Å; K128-V175 PolarHBondContact O-N 3.2Å; V130-V175 HydrophobicContact CG2-CG2 3.6Å
176V94.2Very high80.8Confident0 Ų060.2 Ų60.20%031%0.305CS..EExtended strand (participates in β ladder)trans-107.2127.917565.90000109.3T103 F104 L106 F113 W125 I126 M127 F141T103-V176 CarbonylContact C-O 3.58Å; T103-V176 VanDerWaalsContact CA-O 3.25Å; T103-V176 WeakPolarHBondContact CA-O 3.37Å; F104-V176 HydrophobicContact CB-CG1 3.77Å; F104-V176 HydrophobicContact CD2-CG1 4.38Å; F104-V176 PolarHBondContact N-O 2.9Å; F104-V176 PolarHBondContact O-N 2.85Å; L106-V176 HydrophobicContact CD1-CB 4.12Å; L106-V176 HydrophobicContact CD1-CG1 3.92Å; L106-V176 HydrophobicContact CD2-CG1 4.1Å; L106-V176 HydrophobicContact CG-CB 4.43Å; L106-V176 HydrophobicContact CG-CG1 3.88Å; F113-V176 HydrophobicContact CB-CG1 4.39Å; F113-V176 HydrophobicContact CD2-CG1 3.7Å; F113-V176 HydrophobicContact CD2-CG2 4.19Å; F113-V176 HydrophobicContact CE2-CG1 4.16Å; F113-V176 HydrophobicContact CE2-CG2 3.8Å; F113-V176 HydrophobicContact CG-CG1 3.95Å; F113-V176 HydrophobicContact CZ-CG2 4.25Å; W125-V176 HydrophobicContact CB-CG2 4.17Å; W125-V176 HydrophobicContact CD2-CG2 4.47Å; W125-V176 HydrophobicContact CE3-CG2 3.88Å; I126-V176 WeakPolarHBondContact O-CA 3.31Å; M127-V176 HydrophobicContact CG-CB 4.33Å; F141-V176 HydrophobicContact CE1-CG2 3.78Å; F141-V176 HydrophobicContact CZ-CG2 3.65Å
177S95.5Very high83Confident13 Ų1360 Ų609%0.09131%0.305CS..EExtended strand (participates in β ladder)trans-130.8144.5-178.2-55.70000111T102 T103 W125 I126 Y179T102-S177 CarbonylContact O-C 3.53Å; T102-S177 VanDerWaalsContact O-CA 3.3Å; T102-S177 WeakPolarHBondContact O-CA 3.49Å; T103-S177 WeakPolarHBondContact CG2-OG 3.36Å; T103-S177 WeakPolarHBondContact OG1-CB 3.42Å; T103-S177 PolarHBondContact OG1-OG 3.33Å; W125-S177 CarbonylContact C-O 3.53Å; W125-S177 WeakPolarHBondContact CA-O 3.49Å; I126-S177 WeakPolarHBondContact CG2-O 3.26Å; I126-S177 PolarHBondContact N-O 2.89Å; I126-S177 PolarHBondContact O-N 2.85Å; S177-Y179 PolarHBondContact O-N 2.78Å
178R95.9Very high85.2Confident86 Ų8654.9 Ų54.933%0.32528%0.284SS..EExtended strand (participates in β ladder)trans-62.5128.9171.6-175.2169.361.1-169.4-1.9108.8P101 T102 W125P101-R178 WeakPolarHBondContact CB-O 3.41Å; T102-R178 PolarHBondContact O-N 3.43Å; T102-R178 PolarHBondContact OG1-NH2 2.98Å; W125-R178 HydrophobicContact CD2-CB 4.5Å; W125-R178 HydrophobicContact CE3-CB 4.18Å; W125-R178 VanDerWaalsContact CE3-N 3.29Å; W125-R178 HydrophobicContact CH2-CB 4.23Å; W125-R178 HydrophobicContact CZ3-CB 4.05Å
179Y94.5Very high87.2Confident15 Ų1547.6 Ų47.66%0.05926%0.256CS..  trans-75.9137.2178.2-171.1-99000110.1I124 I126 L140 S177 T181 K190 F222 L224 H233I124-Y179 HydrophobicContact CG2-CD1 4.38Å; I124-Y179 HydrophobicContact CG2-CG 4.24Å; I124-Y179 VanDerWaalsContact O-CB 3.3Å; I124-Y179 WeakPolarHBondContact O-CB 3.27Å; I124-Y179 PolarHBondContact O-N 2.93Å; I126-Y179 HydrophobicContact CB-CD2 4.19Å; I126-Y179 HydrophobicContact CD1-CD2 4.45Å; I126-Y179 HydrophobicContact CG2-CD2 4.35Å; L140-Y179 HydrophobicContact CD2-CD1 4.3Å; L140-Y179 HydrophobicContact CD2-CD2 3.75Å; L140-Y179 HydrophobicContact CD2-CE1 4.3Å; L140-Y179 HydrophobicContact CD2-CE2 3.72Å; L140-Y179 HydrophobicContact CD2-CG 4.03Å; L140-Y179 HydrophobicContact CG-CD2 4.31Å; L140-Y179 HydrophobicContact CG-CE2 4.45Å; S177-Y179 PolarHBondContact O-N 2.78Å; Y179-T181 HydrophobicContact CD1-CG2 4.12Å; Y179-T181 PolarHBondContact O-N 3.22Å; Y179-K190 PolarHBondContact OH-NZ 2.91Å; Y179-F222 HydrophobicContact CE1-CE2 4.22Å; Y179-F222 HydrophobicContact CE1-CZ 4.26Å; Y179-L224 HydrophobicContact CE1-CD2 4.35Å; Y179-H233 HydrophobicContact CE2-CB 4.34Å; Y179-H233 AromaticContact CZ-ND1 3.62Å; Y179-H233 WeakPolarHBondContact OH-CB 3.2Å; Y179-H233 PolarHBondContact OH-ND1 3Å
180V95Very high89.2Confident16 Ų1640.7 Ų40.710%0.09722%0.224CC..  trans-78.6103.2173.5179.80000108P101 L309 D311 W317P101-V180 HydrophobicContact CG-CG2 4.28Å; V180-L309 HydrophobicContact CB-CD2 3.61Å; V180-L309 HydrophobicContact CG1-CD2 3.78Å; V180-L309 HydrophobicContact CG2-CD2 4.02Å; V180-D311 HydrophobicContact CG1-CB 4.2Å; V180-W317 HydrophobicContact CG2-CD2 4.3Å; V180-W317 HydrophobicContact CG2-CG 4.16Å
181T93.8Very high91Very high58 Ų5834.1 Ų34.136%0.35619%0.19SC..SBendtrans-83.5-16.4-171.950.80000114I124 Y179 P183 L224I124-T181 HydrophobicContact CB-CG2 4.25Å; I124-T181 HydrophobicContact CD1-CG2 4.06Å; I124-T181 HydrophobicContact CG1-CG2 4.42Å; Y179-T181 HydrophobicContact CD1-CG2 4.12Å; Y179-T181 PolarHBondContact O-N 3.22Å; T181-P183 VanDerWaalsContact O-CD 3.23Å; T181-P183 WeakPolarHBondContact O-CD 3.41Å; T181-L224 HydrophobicContact CG2-CD1 4.36Å
182N95.6Very high92.4Very high63 Ų6331.9 Ų31.934%0.33718%0.175SC..SBendtrans-115.650.8-178.665.2-38.9000112.4D311 N312N182-D311 CarbonylContact O-C 3.55Å; N182-D311 WeakPolarHBondContact O-CA 3.1Å; N182-D311 WeakPolarHBondContact O-CB 3.45Å; N182-N312 PolarHBondContact O-N 3.21Å
183P96.3Very high93.4Very high5 Ų528.6 Ų28.63%0.03216%0.159CC..BIsolated β-bridgetrans-60.1147.7178.530.1-35.4000110.6T181 L185 K190 F222 L309T181-P183 VanDerWaalsContact O-CD 3.23Å; T181-P183 WeakPolarHBondContact O-CD 3.41Å; P183-L185 HydrophobicContact CB-CD2 4.48Å; P183-L185 HydrophobicContact CG-CD2 3.97Å; P183-L185 PolarHBondContact O-N 2.73Å; P183-K190 HydrophobicContact CB-CG 4.22Å; P183-K190 HydrophobicContact CG-CG 4.34Å; P183-F222 VanDerWaalsContact CD-CZ 3.49Å; P183-F222 HydrophobicContact CG-CD1 4.06Å; P183-F222 HydrophobicContact CG-CD2 4.01Å; P183-F222 HydrophobicContact CG-CE1 3.74Å; P183-F222 HydrophobicContact CG-CE2 3.69Å; P183-F222 HydrophobicContact CG-CG 4.17Å; P183-F222 HydrophobicContact CG-CZ 3.53Å; P183-L309 HydrophobicContact CB-CD1 4.04Å; P183-L309 HydrophobicContact CB-CD2 4.43Å
184Y96.9Very high93.9Very high3 Ų326.7 Ų26.71%0.01215%0.147CC..  trans-66.7128.5168.7-177.1-107.3000109.2L186 F191 L263 K266 Y267 I310 D311 L314Y184-L186 HydrophobicContact CD1-CG 4.48Å; Y184-L186 HydrophobicContact CE1-CD2 3.73Å; Y184-L186 HydrophobicContact CE1-CG 3.84Å; Y184-F191 AromaticContact CD1-CE1 3.65Å; Y184-F191 HydrophobicContact CD1-CE1 3.65Å; Y184-F191 AromaticContact CD1-CZ 3.65Å; Y184-F191 HydrophobicContact CD1-CZ 3.65Å; Y184-F191 HydrophobicContact CE1-CE1 4.26Å; Y184-F191 HydrophobicContact CE1-CZ 4.27Å; Y184-F191 WeakPolarHBondContact O-CE1 3.46Å; Y184-L263 HydrophobicContact CD1-CD2 4.36Å; Y184-L263 HydrophobicContact CE1-CD2 3.56Å; Y184-K266 PolarHBondContact OH-NZ 3.16Å; Y184-Y267 AromaticContact CE2-CE2 3.9Å; Y184-Y267 HydrophobicContact CE2-CE2 3.9Å; Y184-Y267 AromaticContact CE2-CZ 3.98Å; Y184-Y267 WeakPolarHBondContact CE2-OH 3.43Å; Y184-Y267 AromaticContact CZ-CE2 3.98Å; Y184-I310 WeakPolarHBondContact CB-O 3.43Å; Y184-I310 PolarHBondContact N-O 3.48Å; Y184-D311 WeakPolarHBondContact CB-O 3.3Å; Y184-L314 HydrophobicContact CD2-CD2 4.45Å
185L95Very high94.3Very high55 Ų5525.9 Ų25.929%0.28814%0.143SC..EExtended strand (participates in β ladder)trans-110.2136-175.7-56.6178.9000110.5P183 R189 K190 F222P183-L185 HydrophobicContact CB-CD2 4.48Å; P183-L185 HydrophobicContact CG-CD2 3.97Å; P183-L185 PolarHBondContact O-N 2.73Å; L185-R189 WeakPolarHBondContact CA-O 3.47Å; L185-K190 HydrophobicContact CD2-CB 4.24Å; L185-F222 HydrophobicContact CD1-CB 3.95Å; L185-F222 HydrophobicContact CD1-CD1 4.09Å; L185-F222 HydrophobicContact CD1-CG 4.4Å; L185-F222 HydrophobicContact CD2-CB 3.53Å; L185-F222 HydrophobicContact CD2-CD1 4.15Å; L185-F222 HydrophobicContact CD2-CG 3.87Å; L185-F222 HydrophobicContact CG-CB 4.41Å
186L92.1Very high94.5Very high13 Ų1325.6 Ų25.67%0.06814%0.141CC..EExtended strand (participates in β ladder)trans-111124.2165.3-70.8170.2000108.7Y184 G188 R189 F191 F217 W254 L259 Q262Y184-L186 HydrophobicContact CD1-CG 4.48Å; Y184-L186 HydrophobicContact CE1-CD2 3.73Å; Y184-L186 HydrophobicContact CE1-CG 3.84Å; L186-G188 PolarHBondContact O-N 2.63Å; L186-G188 VanDerWaalsContact O-N 3.17Å; L186-R189 PolarHBondContact N-O 3.36Å; L186-R189 PolarHBondContact O-N 2.97Å; L186-F191 HydrophobicContact CB-CE1 4.37Å; L186-F191 HydrophobicContact CD1-CD1 4.31Å; L186-F191 HydrophobicContact CD1-CE1 3.76Å; L186-F191 HydrophobicContact CD1-CZ 4.07Å; L186-F191 HydrophobicContact CG-CD1 4.44Å; L186-F191 HydrophobicContact CG-CE1 3.79Å; L186-F191 HydrophobicContact CG-CZ 4.44Å; L186-F217 HydrophobicContact CB-CE1 3.87Å; L186-F217 HydrophobicContact CD1-CE1 3.84Å; L186-F217 HydrophobicContact CD1-CZ 3.83Å; L186-F217 HydrophobicContact CG-CE1 4.42Å; L186-W254 HydrophobicContact CD1-CE3 4.05Å; L186-W254 HydrophobicContact CD1-CH2 4.26Å; L186-W254 HydrophobicContact CD1-CZ3 3.69Å; L186-L259 HydrophobicContact CD1-CD1 3.55Å; L186-Q262 HydrophobicContact CD2-CG 4.19Å
187C87.9Confident94.8Very high109 Ų10925.6 Ų25.674%0.73614%0.141SC*.THydrogen-bonded Turntrans52.334.2-173.4-54.70000112.9R189C187-R189 VanDerWaalsContact C-N 3.26Å; C187-R189 PolarHBondContact O-N 3.17Å
188G90.8Very high94.9Very high27 Ų2725 Ų2528%0.27814%0.137SC..THydrogen-bonded Turntrans74.36.7-178.600000115.3L186 R221 F222L186-G188 PolarHBondContact O-N 2.63Å; L186-G188 VanDerWaalsContact O-N 3.17Å; G188-R221 CarbonylContact O-C 3.01Å; G188-R221 WeakPolarHBondContact O-CA 3.08Å; G188-F222 PolarHBondContact O-N 3.35Å
189R90.6Very high95Very high44 Ų4420.9 Ų20.917%0.16612%0.122CC..EExtended strand (participates in β ladder)trans-105.8141.7-179.5-59.1-172.2-59.4170.6-3.2111.3L185 L186 C187 F217 S218L185-R189 WeakPolarHBondContact CA-O 3.47Å; L186-R189 PolarHBondContact N-O 3.36Å; L186-R189 PolarHBondContact O-N 2.97Å; C187-R189 VanDerWaalsContact C-N 3.26Å; C187-R189 PolarHBondContact O-N 3.17Å; R189-F217 HydrophobicContact CB-CD1 4.45Å; R189-S218 WeakPolarHBondContact CD-O 3.39Å
190K92.7Very high95.2Very high12 Ų1221.1 Ų21.15%0.05213%0.125CC..EExtended strand (participates in β ladder)trans-75.9147.4175.2-179.9-177.8173.4-173.40109Y179 P183 L185 F217 S218 F222 H233 T235 L309Y179-K190 PolarHBondContact OH-NZ 2.91Å; P183-K190 HydrophobicContact CB-CG 4.22Å; P183-K190 HydrophobicContact CG-CG 4.34Å; L185-K190 HydrophobicContact CD2-CB 4.24Å; K190-F217 CarbonylContact O-C 3.49Å; K190-F217 WeakPolarHBondContact O-CA 3.49Å; K190-S218 PolarHBondContact N-OG 2.88Å; K190-S218 PolarHBondContact O-N 3.25Å; K190-S218 PolarHBondContact O-OG 3.12Å; K190-F222 HydrophobicContact CB-CB 4.44Å; K190-F222 HydrophobicContact CB-CD2 4.03Å; K190-F222 HydrophobicContact CD-CD2 4.14Å; K190-F222 HydrophobicContact CD-CE2 4.21Å; K190-H233 PolarHBondContact NZ-O 3.08Å; K190-T235 HydrophobicContact CG-CG2 4.49Å; K190-L309 HydrophobicContact CG-CD1 4.48Å
191F94.5Very high95.3Very high2 Ų221.4 Ų21.41%0.00913%0.127CC..EExtended strand (participates in β ladder)trans-144.8157.6170.865.9-85.3000112.5Y184 L186 L193 A215 R216 F217 L259 L309 I310Y184-F191 AromaticContact CD1-CE1 3.65Å; Y184-F191 HydrophobicContact CD1-CE1 3.65Å; Y184-F191 AromaticContact CD1-CZ 3.65Å; Y184-F191 HydrophobicContact CD1-CZ 3.65Å; Y184-F191 HydrophobicContact CE1-CE1 4.26Å; Y184-F191 HydrophobicContact CE1-CZ 4.27Å; Y184-F191 WeakPolarHBondContact O-CE1 3.46Å; L186-F191 HydrophobicContact CB-CE1 4.37Å; L186-F191 HydrophobicContact CD1-CD1 4.31Å; L186-F191 HydrophobicContact CD1-CE1 3.76Å; L186-F191 HydrophobicContact CD1-CZ 4.07Å; L186-F191 HydrophobicContact CG-CD1 4.44Å; L186-F191 HydrophobicContact CG-CE1 3.79Å; L186-F191 HydrophobicContact CG-CZ 4.44Å; F191-L193 HydrophobicContact CD2-CD2 3.9Å; F191-L193 HydrophobicContact CE2-CD2 3.69Å; F191-A215 HydrophobicContact CD2-CB 3.75Å; F191-A215 HydrophobicContact CE2-CB 4.28Å; F191-A215 HydrophobicContact CG-CB 4.44Å; F191-R216 CarbonylContact C-O 3.58Å; F191-R216 WeakPolarHBondContact CA-O 3.26Å; F191-R216 WeakPolarHBondContact CB-O 3.48Å; F191-F217 HydrophobicContact CB-CD1 3.58Å; F191-F217 HydrophobicContact CB-CE1 3.67Å; F191-F217 HydrophobicContact CB-CG 4.08Å; F191-F217 HydrophobicContact CB-CZ 4.28Å; F191-F217 HydrophobicContact CD1-CD1 4.11Å; F191-F217 AromaticContact CD1-CE1 3.56Å; F191-F217 HydrophobicContact CD1-CE1 3.56Å; F191-F217 HydrophobicContact CD1-CZ 4.36Å; F191-F217 HydrophobicContact CE1-CE1 4.35Å; F191-F217 HydrophobicContact CG-CD1 4.12Å; F191-F217 AromaticContact CG-CE1 3.7Å; F191-F217 HydrophobicContact CG-CE1 3.7Å; F191-F217 HydrophobicContact CG-CZ 4.23Å; F191-L259 HydrophobicContact CE2-CD1 4.14Å; F191-L259 HydrophobicContact CE2-CD2 3.81Å; F191-L259 HydrophobicContact CZ-CD1 3.92Å; F191-L259 HydrophobicContact CZ-CD2 4.35Å; F191-L309 WeakPolarHBondContact O-CD1 3.41Å; F191-I310 HydrophobicContact CE2-CD1 4.44Å
192D95.2Very high95.4Very high2 Ų218.7 Ų18.71%0.01111%0.111CC..EExtended strand (participates in β ladder)trans-118.7155.2166.673.5-88.6000110A215 R216 T235 I308 L319D192-A215 CarbonylContact O-C 3.46Å; D192-A215 VanDerWaalsContact O-CA 3.24Å; D192-A215 WeakPolarHBondContact O-CA 3.34Å; D192-R216 VanDerWaalsContact CG-NH2 3.34Å; D192-R216 PolarHBondContact N-O 2.99Å; D192-R216 VanDerWaalsContact N-O 3.11Å; D192-R216 PolarHBondContact O-N 2.85Å; D192-R216 IonicContact OD1-CZ 3.36Å; D192-R216 IonicContact OD1-NE 3.12Å; D192-R216 PolarHBondContact OD1-NE 3.43Å; D192-R216 VanDerWaalsContact OD1-NE 3.14Å; D192-R216 IonicContact OD1-NH2 2.83Å; D192-R216 PolarHBondContact OD1-NH2 3.23Å; D192-R216 IonicContact OD2-CZ 2.89Å; D192-R216 VanDerWaalsContact OD2-CZ 3.3Å; D192-R216 IonicContact OD2-NE 3.86Å; D192-R216 PolarHBondContact OD2-NE 3.41Å; D192-R216 IonicContact OD2-NH2 3.43Å; D192-R216 PolarHBondContact OD2-NH2 3.42Å; D192-T235 WeakPolarHBondContact OD1-CB 3.41Å; D192-T235 PolarHBondContact OD1-OG1 3.45Å; D192-I308 CarbonylContact C-O 3.33Å; D192-I308 WeakPolarHBondContact CA-O 3.32Å; D192-L319 HydrophobicContact CB-CD1 4.49Å
193L96.7Very high95.4Very high1 Ų121.5 Ų21.51%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-95.7127174.5-50.4-172.8000109.4F191 V195 A215 I256 L259 Y306 D307 I308 I310F191-L193 HydrophobicContact CD2-CD2 3.9Å; F191-L193 HydrophobicContact CE2-CD2 3.69Å; L193-V195 HydrophobicContact CB-CG1 4.29Å; L193-A215 HydrophobicContact CD2-CB 3.84Å; L193-I256 HydrophobicContact CB-CD1 4.06Å; L193-I256 HydrophobicContact CD1-CD1 4.3Å; L193-I256 HydrophobicContact CD2-CD1 3.71Å; L193-I256 HydrophobicContact CG-CD1 4.25Å; L193-L259 HydrophobicContact CD1-CD2 4.47Å; L193-L259 HydrophobicContact CD2-CD2 3.32Å; L193-Y306 VanDerWaalsContact O-O 3.05Å; L193-D307 CarbonylContact O-C 3.54Å; L193-D307 VanDerWaalsContact O-CA 3.24Å; L193-D307 WeakPolarHBondContact O-CA 3.37Å; L193-I308 HydrophobicContact CB-CB 4.3Å; L193-I308 PolarHBondContact N-O 3.09Å; L193-I308 PolarHBondContact O-N 3.35Å; L193-I310 HydrophobicContact CD1-CD1 3.81Å; L193-I310 HydrophobicContact CD1-CG1 4.27Å; L193-I310 HydrophobicContact CG-CD1 4.37Å
194R96.3Very high95.4Very high13 Ų1324 Ų245%0.04914%0.142CC..EExtended strand (participates in β ladder)trans-95.4116.4158.7176.459.453.870.9-3.3108.8Y196 G213 F214 Y306 D307R194-Y196 HydrophobicContact CG-CE1 4.28Å; R194-Y196 HydrophobicContact CG-CE2 4.13Å; R194-G213 VanDerWaalsContact O-CA 3.31Å; R194-G213 WeakPolarHBondContact O-CA 3.39Å; R194-F214 HydrophobicContact CB-CD1 4.32Å; R194-F214 HydrophobicContact CB-CD2 3.84Å; R194-F214 HydrophobicContact CB-CE1 3.97Å; R194-F214 HydrophobicContact CB-CE2 3.39Å; R194-F214 HydrophobicContact CB-CG 4.28Å; R194-F214 HydrophobicContact CB-CZ 3.49Å; R194-F214 VanDerWaalsContact CB-CZ 3.49Å; R194-F214 HydrophobicContact CG-CD1 4.45Å; R194-F214 HydrophobicContact CG-CE1 3.77Å; R194-F214 HydrophobicContact CG-CE2 3.97Å; R194-F214 HydrophobicContact CG-CZ 3.49Å; R194-F214 VanDerWaalsContact CG-CZ 3.49Å; R194-F214 PolarHBondContact N-O 3.15Å; R194-F214 PolarHBondContact O-N 2.71Å; R194-Y306 WeakPolarHBondContact CA-O 3.28Å; R194-D307 IonicContact CZ-OD1 3.55Å; R194-D307 IonicContact CZ-OD2 3.5Å; R194-D307 IonicContact NE-OD1 2.79Å; R194-D307 PolarHBondContact NE-OD1 3.01Å; R194-D307 IonicContact NE-OD2 3.52Å; R194-D307 VanDerWaalsContact NH2-CG 3.27Å; R194-D307 IonicContact NH2-OD1 2.65Å; R194-D307 PolarHBondContact NH2-OD1 2.82Å; R194-D307 IonicContact NH2-OD2 3.65Å; R194-D307 PolarHBondContact NH2-OD2 3.4Å
195V97.7Very high95.5Very high0 Ų023.9 Ų23.90%014%0.142CC..EExtended strand (participates in β ladder)trans-128.3155.4175.4-60.20000110L193 I256 F283 G305 Y306 I308 L419L193-V195 HydrophobicContact CB-CG1 4.29Å; V195-I256 HydrophobicContact CG1-CD1 4.05Å; V195-I256 HydrophobicContact CG1-CG1 4.08Å; V195-F283 HydrophobicContact CB-CZ 4.39Å; V195-F283 HydrophobicContact CG2-CE1 3.62Å; V195-F283 HydrophobicContact CG2-CZ 3.53Å; V195-G305 WeakPolarHBondContact O-CA 3.33Å; V195-Y306 PolarHBondContact N-O 3.08Å; V195-Y306 PolarHBondContact O-N 2.84Å; V195-I308 HydrophobicContact CG2-CD1 4.12Å; V195-L419 HydrophobicContact CB-CD1 4.29Å; V195-L419 HydrophobicContact CB-CD2 4.47Å; V195-L419 HydrophobicContact CG1-CD1 3.99Å; V195-L419 HydrophobicContact CG1-CD2 4.1Å
196Y98.2Very high95.6Very high0 Ų023.6 Ų23.60%014%0.138CC..EExtended strand (participates in β ladder)trans-117129.6-169.4-59.7-84000111.3R194 Y210 F214 Y304 P325 L341R194-Y196 HydrophobicContact CG-CE1 4.28Å; R194-Y196 HydrophobicContact CG-CE2 4.13Å; Y196-Y210 PolarHBondContact O-N 3.03Å; Y196-F214 WeakPolarHBondContact OH-CE1 3.46Å; Y196-Y304 WeakPolarHBondContact CA-O 3.35Å; Y196-P325 HydrophobicContact CD1-CG 4.07Å; Y196-P325 HydrophobicContact CE1-CB 4.13Å; Y196-P325 HydrophobicContact CE1-CG 3.85Å; Y196-L341 HydrophobicContact CD1-CD2 3.57Å; Y196-L341 HydrophobicContact CD2-CD1 4.29Å; Y196-L341 HydrophobicContact CD2-CD2 3.71Å; Y196-L341 HydrophobicContact CE1-CD2 3.67Å; Y196-L341 HydrophobicContact CE2-CD2 3.83Å; Y196-L341 HydrophobicContact CG-CD1 4.03Å; Y196-L341 HydrophobicContact CG-CD2 3.57Å; Y196-L341 HydrophobicContact CG-CG 4.48Å
197V98.6Very high95.9Very high0 Ų023 Ų230%014%0.135CC..EExtended strand (participates in β ladder)trans-126.6122.3179.7-178.80000108.1V207 W208 V209 F283 L287 Y304 Y306V197-V207 HydrophobicContact CG1-CG1 3.41Å; V197-V207 VanDerWaalsContact CG1-CG1 3.41Å; V197-W208 CarbonylContact C-O 3.56Å; V197-W208 WeakPolarHBondContact CA-O 3.39Å; V197-V209 HydrophobicContact CG2-CG2 4.34Å; V197-F283 HydrophobicContact CG2-CD1 3.64Å; V197-F283 HydrophobicContact CG2-CD2 4.18Å; V197-F283 HydrophobicContact CG2-CE1 3.74Å; V197-F283 HydrophobicContact CG2-CE2 4.26Å; V197-F283 HydrophobicContact CG2-CG 3.87Å; V197-F283 HydrophobicContact CG2-CZ 4.04Å; V197-L287 HydrophobicContact CG1-CD1 4.22Å; V197-Y304 PolarHBondContact N-O 3.25Å; V197-Y304 PolarHBondContact O-N 2.93Å; V197-Y306 HydrophobicContact CB-CD2 3.96Å; V197-Y306 HydrophobicContact CB-CE2 3.69Å; V197-Y306 HydrophobicContact CG1-CE2 4.33Å; V197-Y306 HydrophobicContact CG2-CD2 3.58Å; V197-Y306 HydrophobicContact CG2-CE2 3.64Å; V197-Y306 HydrophobicContact CG2-CG 4.35Å
198L98.6Very high96.4Very high0 Ų018.3 Ų18.30%010%0.102CC..EExtended strand (participates in β ladder)trans-101.3125.4177.917067.1000109.4T200 W208 F301 E302 L303 M345 V348 F365L198-T200 HydrophobicContact CD2-CG2 4.23Å; L198-T200 HydrophobicContact CG-CG2 4.13Å; L198-W208 HydrophobicContact CB-CB 4.19Å; L198-W208 PolarHBondContact N-O 3.48Å; L198-W208 PolarHBondContact O-N 3.34Å; L198-F301 HydrophobicContact CD1-CD2 3.81Å; L198-E302 WeakPolarHBondContact CA-O 3.49Å; L198-L303 HydrophobicContact CB-CD1 4.19Å; L198-M345 HydrophobicContact CD1-CG 3.99Å; L198-M345 HydrophobicContact CD2-CB 4.46Å; L198-M345 HydrophobicContact CD2-CG 3.9Å; L198-V348 HydrophobicContact CD2-CB 3.73Å; L198-V348 HydrophobicContact CD2-CG1 3.53Å; L198-V348 HydrophobicContact CD2-CG2 4.22Å; L198-F365 HydrophobicContact CB-CD1 4.17Å; L198-F365 HydrophobicContact CB-CE1 3.58Å; L198-F365 HydrophobicContact CB-CZ 4.15Å; L198-F365 HydrophobicContact CD2-CE1 4.26Å; L198-F365 HydrophobicContact CD2-CZ 4.32Å
199V98.4Very high96.8Very high0 Ų017 Ų170%09%0.088CC..EExtended strand (participates in β ladder)trans-108.9119.3172.6-178.20000108.5F62 S201 F202 L205 K206 L287 F301 E302 Y304F62-V199 HydrophobicContact CE2-CB 4.41Å; F62-V199 HydrophobicContact CE2-CG1 4.18Å; V199-S201 WeakPolarHBondContact CG1-O 3.47Å; V199-F202 HydrophobicContact CB-CE2 4.26Å; V199-F202 HydrophobicContact CB-CZ 4.4Å; V199-F202 HydrophobicContact CG1-CD2 3.84Å; V199-F202 HydrophobicContact CG1-CE1 4.3Å; V199-F202 HydrophobicContact CG1-CE2 3.59Å; V199-F202 HydrophobicContact CG1-CG 4.31Å; V199-F202 HydrophobicContact CG1-CZ 3.84Å; V199-F202 HydrophobicContact CG2-CZ 4.41Å; V199-L205 HydrophobicContact CG1-CD1 4.17Å; V199-K206 WeakPolarHBondContact CA-O 3.46Å; V199-L287 HydrophobicContact CG2-CD1 3.85Å; V199-L287 HydrophobicContact CG2-CD2 3.72Å; V199-L287 HydrophobicContact CG2-CG 4.47Å; V199-F301 CarbonylContact O-C 3.57Å; V199-F301 WeakPolarHBondContact O-CA 3.4Å; V199-E302 PolarHBondContact N-O 2.85Å; V199-E302 PolarHBondContact O-N 3.09Å; V199-Y304 HydrophobicContact CB-CE2 4.2Å; V199-Y304 HydrophobicContact CG2-CD2 3.93Å; V199-Y304 HydrophobicContact CG2-CE2 3.75Å
200T97.4Very high97.1Very high20 Ų2015.1 Ų15.112%0.1238%0.081CC..EExtended strand (participates in β ladder)trans-98.6-16.2-17951.70000112.7L198 K206 V348L198-T200 HydrophobicContact CD2-CG2 4.23Å; L198-T200 HydrophobicContact CG-CG2 4.13Å; T200-K206 PolarHBondContact N-O 3.16Å; T200-K206 VanDerWaalsContact N-O 3.09Å; T200-K206 WeakPolarHBondContact OG1-CB 3.37Å; T200-K206 WeakPolarHBondContact OG1-CD 2.96Å; T200-K206 WeakPolarHBondContact OG1-CG 3.15Å; T200-V348 HydrophobicContact CG2-CG1 3.88Å
201S97.5Very high97.2Very high22 Ų2215 Ų1515%0.1548%0.081CC..EExtended strand (participates in β ladder)trans-161.7145.3174.8174.30000109.7V199 N203 P204 L205 K206V199-S201 WeakPolarHBondContact CG1-O 3.47Å; S201-N203 PolarHBondContact OG-N 3.18Å; S201-N203 PolarHBondContact OG-O 2.77Å; S201-P204 CarbonylContact C-O 3.44Å; S201-P204 VanDerWaalsContact C-O 3.32Å; S201-P204 WeakPolarHBondContact CB-O 3.32Å; S201-P204 PolarHBondContact OG-O 3.31Å; S201-L205 CarbonylContact O-C 3.5Å; S201-L205 WeakPolarHBondContact O-CA 3.31Å; S201-K206 PolarHBondContact O-N 3.47Å
202F97.3Very high97.1Very high1 Ų117 Ų170%0.0049%0.091CC..EExtended strand (participates in β ladder)trans-100.2-14.9168.4-83.6-80.2000112.9F62 V199 P204 L205 L287 V290 Q291 I294 N296 Y304F62-F202 HydrophobicContact CD1-CD2 4.05Å; F62-F202 AromaticContact CD2-CD2 3.7Å; F62-F202 HydrophobicContact CD2-CD2 3.7Å; F62-F202 AromaticContact CD2-CE2 3.48Å; F62-F202 HydrophobicContact CD2-CE2 3.48Å; F62-F202 VanDerWaalsContact CD2-CE2 3.48Å; F62-F202 HydrophobicContact CE1-CD2 4.06Å; F62-F202 AromaticContact CE2-CD2 3.71Å; F62-F202 HydrophobicContact CE2-CD2 3.71Å; F62-F202 AromaticContact CE2-CE2 3.67Å; F62-F202 HydrophobicContact CE2-CE2 3.67Å; F62-F202 AromaticContact CG-CD2 3.89Å; F62-F202 HydrophobicContact CG-CD2 3.89Å; F62-F202 HydrophobicContact CG-CE2 4Å; F62-F202 AromaticContact CZ-CD2 3.91Å; F62-F202 HydrophobicContact CZ-CD2 3.91Å; F62-F202 HydrophobicContact CZ-CE2 4.33Å; V199-F202 HydrophobicContact CB-CE2 4.26Å; V199-F202 HydrophobicContact CB-CZ 4.4Å; V199-F202 HydrophobicContact CG1-CD2 3.84Å; V199-F202 HydrophobicContact CG1-CE1 4.3Å; V199-F202 HydrophobicContact CG1-CE2 3.59Å; V199-F202 HydrophobicContact CG1-CG 4.31Å; V199-F202 HydrophobicContact CG1-CZ 3.84Å; V199-F202 HydrophobicContact CG2-CZ 4.41Å; F202-P204 VanDerWaalsContact C-C 3.47Å; F202-P204 CarbonylContact C-O 3.56Å; F202-L205 HydrophobicContact CD1-CD1 3.76Å; F202-L205 HydrophobicContact CE1-CD1 4.04Å; F202-L205 HydrophobicContact CG-CD1 4.45Å; F202-L205 PolarHBondContact O-N 2.76Å; F202-L287 HydrophobicContact CE1-CD2 4.01Å; F202-L287 HydrophobicContact CZ-CD2 3.98Å; F202-V290 HydrophobicContact CE1-CG2 4.17Å; F202-Q291 HydrophobicContact CD1-CG 4.46Å; F202-Q291 WeakPolarHBondContact O-CG 3.18Å; F202-Q291 PolarHBondContact O-NE2 3.45Å; F202-I294 HydrophobicContact CB-CG2 4.38Å; F202-I294 HydrophobicContact CD1-CB 4.35Å; F202-I294 HydrophobicContact CD1-CD1 4.21Å; F202-I294 HydrophobicContact CD1-CG2 4.48Å; F202-I294 HydrophobicContact CD2-CB 4.17Å; F202-I294 HydrophobicContact CD2-CD1 4.26Å; F202-I294 HydrophobicContact CD2-CG2 3.44Å; F202-I294 VanDerWaalsContact CD2-CG2 3.44Å; F202-I294 HydrophobicContact CE1-CD1 3.58Å; F202-I294 HydrophobicContact CE2-CB 4.38Å; F202-I294 HydrophobicContact CE2-CD1 3.62Å; F202-I294 HydrophobicContact CE2-CG2 3.75Å; F202-I294 HydrophobicContact CG-CB 4.15Å; F202-I294 HydrophobicContact CG-CG2 3.84Å; F202-I294 HydrophobicContact CZ-CD1 3.24Å; F202-I294 HydrophobicContact CZ-CG1 4.45Å; F202-I294 HydrophobicContact CZ-CG2 4.4Å; F202-N296 HydrophobicContact CB-CB 4.26Å; F202-N296 PolarHBondContact N-OD1 2.77Å; F202-Y304 HydrophobicContact CZ-CE2 4.28Å
203N95.8Very high97.1Very high122 Ų12217 Ų1765%0.6529%0.091SC*.THydrogen-bonded Turntrans-14395.5177.7-173.121.8000112S201 N296S201-N203 PolarHBondContact OG-N 3.18Å; S201-N203 PolarHBondContact OG-O 2.77Å; N203-N296 HydrophobicContact CB-CB 3.99Å; N203-N296 PolarHBondContact N-OD1 2.82Å; N203-N296 PolarHBondContact O-ND2 3.15Å
204P96.3Very high96.9Very high58 Ų5817.3 Ų17.338%0.3779%0.093SC..THydrogen-bonded Turncis-67.5159.3-5.429-34.3000111.9S201 F202 K206 D371S201-P204 CarbonylContact C-O 3.44Å; S201-P204 VanDerWaalsContact C-O 3.32Å; S201-P204 WeakPolarHBondContact CB-O 3.32Å; S201-P204 PolarHBondContact OG-O 3.31Å; F202-P204 VanDerWaalsContact C-C 3.47Å; F202-P204 CarbonylContact C-O 3.56Å; P204-K206 PolarHBondContact O-N 3.02Å; P204-D371 HydrophobicContact CB-CB 3.65Å; P204-D371 WeakPolarHBondContact CB-OD1 3.33Å
205L97.8Very high96.8Very high0 Ų016.7 Ų16.70%09%0.091CC..EExtended strand (participates in β ladder)trans-70.2124.8177.8179.362.7000109.5V199 S201 F202 V207 L287 L288 Q291 W369 D371V199-L205 HydrophobicContact CG1-CD1 4.17Å; S201-L205 CarbonylContact O-C 3.5Å; S201-L205 WeakPolarHBondContact O-CA 3.31Å; F202-L205 HydrophobicContact CD1-CD1 3.76Å; F202-L205 HydrophobicContact CE1-CD1 4.04Å; F202-L205 HydrophobicContact CG-CD1 4.45Å; F202-L205 PolarHBondContact O-N 2.76Å; L205-V207 HydrophobicContact CD1-CG2 3.77Å; L205-V207 HydrophobicContact CD2-CG2 4.18Å; L205-V207 HydrophobicContact CG-CG2 3.73Å; L205-L287 HydrophobicContact CD2-CB 4.27Å; L205-L288 HydrophobicContact CD2-CD2 3.89Å; L205-L288 HydrophobicContact CD2-CG 4.49Å; L205-Q291 HydrophobicContact CB-CG 4.42Å; L205-W369 VanDerWaalsContact O-CD1 3.27Å; L205-D371 PolarHBondContact O-N 3.45Å
206K97.9Very high96.6Very high49 Ų4917.6 Ų17.621%0.2139%0.094CC..EExtended strand (participates in β ladder)trans-130.7117.1176.1-179.9168.2-80.8-166.90111.1V199 T200 S201 P204 W208 L367 W369 D370V199-K206 WeakPolarHBondContact CA-O 3.46Å; T200-K206 PolarHBondContact N-O 3.16Å; T200-K206 VanDerWaalsContact N-O 3.09Å; T200-K206 WeakPolarHBondContact OG1-CB 3.37Å; T200-K206 WeakPolarHBondContact OG1-CD 2.96Å; T200-K206 WeakPolarHBondContact OG1-CG 3.15Å; S201-K206 PolarHBondContact O-N 3.47Å; P204-K206 PolarHBondContact O-N 3.02Å; K206-W208 HydrophobicContact CD-CZ2 4.43Å; K206-L367 HydrophobicContact CD-CD1 4.26Å; K206-L367 HydrophobicContact CG-CD1 3.78Å; K206-W369 CarbonylContact C-O 3.59Å; K206-W369 WeakPolarHBondContact CA-O 3.28Å; K206-D370 WeakPolarHBondContact CE-OD1 3.4Å; K206-D370 WeakPolarHBondContact CE-OD2 3.2Å; K206-D370 IonicContact NZ-OD1 3.94Å; K206-D370 IonicContact NZ-OD2 3.91Å; K206-D370 PolarHBondContact NZ-OD2 2.91Å
207V98.6Very high96.2Very high0 Ų017.8 Ų17.80%010%0.095CC..EExtended strand (participates in β ladder)trans-127.8130-168.1-168.60000111.4V197 L205 L287 I368 W369V197-V207 HydrophobicContact CG1-CG1 3.41Å; V197-V207 VanDerWaalsContact CG1-CG1 3.41Å; L205-V207 HydrophobicContact CD1-CG2 3.77Å; L205-V207 HydrophobicContact CD2-CG2 4.18Å; L205-V207 HydrophobicContact CG-CG2 3.73Å; V207-L287 HydrophobicContact CB-CD1 4.22Å; V207-L287 HydrophobicContact CG1-CD1 3.54Å; V207-L287 HydrophobicContact CG2-CD1 3.55Å; V207-I368 HydrophobicContact CB-CG1 4.08Å; V207-I368 HydrophobicContact CG1-CD1 4.08Å; V207-I368 HydrophobicContact CG1-CG1 4.02Å; V207-I368 WeakPolarHBondContact O-CG1 3.16Å; V207-I368 PolarHBondContact O-N 3.09Å; V207-W369 HydrophobicContact CB-CB 3.82Å; V207-W369 HydrophobicContact CG2-CB 3.88Å; V207-W369 HydrophobicContact CG2-CG 4.34Å; V207-W369 PolarHBondContact N-O 3.12Å; V207-W369 PolarHBondContact O-N 3.12Å
208W98.5Very high95.6Very high11 Ų1117.8 Ų17.84%0.04210%0.095CC..EExtended strand (participates in β ladder)trans-119.7139.4177-55.178.1000109.9V197 L198 K206 V348 E359 V362 F365 D366 L367V197-W208 CarbonylContact C-O 3.56Å; V197-W208 WeakPolarHBondContact CA-O 3.39Å; L198-W208 HydrophobicContact CB-CB 4.19Å; L198-W208 PolarHBondContact N-O 3.48Å; L198-W208 PolarHBondContact O-N 3.34Å; K206-W208 HydrophobicContact CD-CZ2 4.43Å; W208-V348 HydrophobicContact CD2-CG1 3.78Å; W208-V348 HydrophobicContact CD2-CG2 4.39Å; W208-V348 HydrophobicContact CE3-CG1 4.37Å; W208-V348 HydrophobicContact CE3-CG2 4.25Å; W208-V348 HydrophobicContact CG-CG1 4.04Å; W208-V348 HydrophobicContact CZ2-CG1 3.97Å; W208-E359 WeakPolarHBondContact CH2-O 3.34Å; W208-V362 HydrophobicContact CH2-CG2 3.95Å; W208-V362 HydrophobicContact CZ3-CB 4.3Å; W208-V362 HydrophobicContact CZ3-CG2 3.91Å; W208-F365 HydrophobicContact CB-CB 4.22Å; W208-F365 HydrophobicContact CB-CD1 3.76Å; W208-F365 HydrophobicContact CB-CG 4.34Å; W208-F365 HydrophobicContact CE3-CB 4.05Å; W208-D366 CarbonylContact C-O 3.46Å; W208-D366 VanDerWaalsContact CA-O 3.28Å; W208-D366 WeakPolarHBondContact CA-O 3.36Å; W208-L367 HydrophobicContact CD2-CB 4.07Å; W208-L367 HydrophobicContact CD2-CD1 3.88Å; W208-L367 HydrophobicContact CE3-CB 3.69Å; W208-L367 HydrophobicContact CE3-CD1 4.38Å; W208-L367 HydrophobicContact CG-CD1 4.32Å; W208-L367 HydrophobicContact CH2-CB 3.93Å; W208-L367 HydrophobicContact CH2-CD1 4.3Å; W208-L367 HydrophobicContact CH2-CG 4.47Å; W208-L367 HydrophobicContact CZ2-CB 4.28Å; W208-L367 HydrophobicContact CZ2-CD1 3.79Å; W208-L367 HydrophobicContact CZ2-CG 4.42Å; W208-L367 HydrophobicContact CZ3-CB 3.63Å
209V98.1Very high94.8Very high0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans-112.2129.8175.1173.70000108.8V197 F283 F365 D366 I368 L419V197-V209 HydrophobicContact CG2-CG2 4.34Å; V209-F283 HydrophobicContact CG1-CE2 4Å; V209-F283 HydrophobicContact CG2-CD2 3.67Å; V209-F283 HydrophobicContact CG2-CE2 3.82Å; V209-F365 WeakPolarHBondContact O-CA 3.49Å; V209-D366 PolarHBondContact N-O 3.03Å; V209-D366 PolarHBondContact O-N 3.2Å; V209-I368 HydrophobicContact CB-CG2 4.16Å; V209-I368 HydrophobicContact CG2-CD1 3.46Å; V209-I368 VanDerWaalsContact CG2-CD1 3.46Å; V209-I368 HydrophobicContact CG2-CG1 3.92Å; V209-I368 HydrophobicContact CG2-CG2 3.93Å; V209-L419 HydrophobicContact CG1-CB 4.29Å; V209-L419 HydrophobicContact CG1-CD1 4.38Å
210Y97.2Very high94Very high4 Ų419.7 Ų19.72%0.01611%0.106CC..EExtended strand (participates in β ladder)trans-78.8135.1172.6-164.4-110.9000110.3Y196 D212 L337 L341 D344 D364 F365 L419Y196-Y210 PolarHBondContact O-N 3.03Å; Y210-D212 VanDerWaalsContact C-N 3.29Å; Y210-D212 HydrophobicContact CD1-CB 4.42Å; Y210-D212 WeakPolarHBondContact CD1-O 3.46Å; Y210-D212 HydrophobicContact CE1-CB 4.14Å; Y210-D212 PolarHBondContact O-N 3.24Å; Y210-L337 HydrophobicContact CE1-CD1 3.93Å; Y210-L341 HydrophobicContact CD1-CB 4.36Å; Y210-L341 HydrophobicContact CD1-CD1 3.59Å; Y210-L341 HydrophobicContact CD2-CD1 3.6Å; Y210-L341 HydrophobicContact CE1-CB 3.98Å; Y210-L341 HydrophobicContact CE1-CD1 4.05Å; Y210-L341 HydrophobicContact CE2-CB 4.29Å; Y210-L341 HydrophobicContact CE2-CD1 4.03Å; Y210-L341 HydrophobicContact CG-CD1 3.35Å; Y210-L341 PolarHBondContact OH-N 2.84Å; Y210-D344 HydrophobicContact CE2-CB 4.14Å; Y210-D364 HydrophobicContact CD2-CB 4.01Å; Y210-D364 HydrophobicContact CE2-CB 3.46Å; Y210-D364 VanDerWaalsContact CE2-CB 3.46Å; Y210-F365 HydrophobicContact CD2-CD1 4.16Å; Y210-F365 AromaticContact CD2-CD2 3.64Å; Y210-F365 HydrophobicContact CD2-CD2 3.64Å; Y210-F365 HydrophobicContact CD2-CE1 4.08Å; Y210-F365 AromaticContact CD2-CE2 3.5Å; Y210-F365 HydrophobicContact CD2-CE2 3.5Å; Y210-F365 VanDerWaalsContact CD2-CE2 3.5Å; Y210-F365 AromaticContact CD2-CG 3.97Å; Y210-F365 HydrophobicContact CD2-CG 3.97Å; Y210-F365 AromaticContact CD2-CZ 3.76Å; Y210-F365 HydrophobicContact CD2-CZ 3.76Å; Y210-F365 HydrophobicContact CE2-CD2 4.21Å; Y210-F365 HydrophobicContact CE2-CE2 4.06Å; Y210-F365 HydrophobicContact CG-CE1 4.32Å; Y210-F365 HydrophobicContact CG-CE2 4.39Å; Y210-F365 HydrophobicContact CG-CZ 4.22Å; Y210-L419 WeakPolarHBondContact O-CD1 3.28Å
211R94.8Very high93.5Very high11 Ų1128.1 Ų28.14%0.04214%0.135CC..EExtended strand (participates in β ladder)trans-65.7-26.4-173.6-76.7174171.5-139.1-17.8115R361 D364 D366 F418 G420R211-R361 VanDerWaalsContact CZ-CZ 3.49Å; R211-D364 HydrophobicContact CB-CB 4.29Å; R211-D364 VanDerWaalsContact CG-O 3.3Å; R211-D364 WeakPolarHBondContact CG-O 3.43Å; R211-D364 PolarHBondContact N-O 3.36Å; R211-D366 WeakPolarHBondContact CG-OD2 3.36Å; R211-D366 IonicContact CZ-OD1 3.59Å; R211-D366 IonicContact CZ-OD2 2.83Å; R211-D366 IonicContact NE-OD1 2.68Å; R211-D366 PolarHBondContact NE-OD1 3.49Å; R211-D366 VanDerWaalsContact NE-OD1 3.16Å; R211-D366 IonicContact NE-OD2 3.64Å; R211-D366 PolarHBondContact NE-OD2 3.21Å; R211-D366 IonicContact NH2-OD1 3.64Å; R211-D366 PolarHBondContact NH2-OD1 3.14Å; R211-D366 IonicContact NH2-OD2 3.86Å; R211-D366 PolarHBondContact NH2-OD2 2.53Å; R211-F418 HydrophobicContact CG-CB 4.26Å; R211-G420 PolarHBondContact O-N 2.8Å
212D92.7Very high93.1Very high43 Ų4328.7 Ų28.723%0.2314%0.135CC..EExtended strand (participates in β ladder)trans-115.5172.8-179.6-152.97.5000112.5Y210 I256 L337Y210-D212 VanDerWaalsContact C-N 3.29Å; Y210-D212 HydrophobicContact CD1-CB 4.42Å; Y210-D212 WeakPolarHBondContact CD1-O 3.46Å; Y210-D212 HydrophobicContact CE1-CB 4.14Å; Y210-D212 PolarHBondContact O-N 3.24Å; D212-I256 PolarHBondContact OD1-N 3.17Å; D212-I256 VanDerWaalsContact OD1-N 3.12Å; D212-L337 HydrophobicContact CB-CD1 3.86Å
213G94.5Very high92.6Very high1 Ų130.2 Ų30.21%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-178.1-151.5179.700000107.9R194 S255 I256R194-G213 VanDerWaalsContact O-CA 3.31Å; R194-G213 WeakPolarHBondContact O-CA 3.39Å; G213-S255 WeakPolarHBondContact O-CA 3.32Å; G213-I256 VanDerWaalsContact C-CG1 3.5Å; G213-I256 PolarHBondContact O-N 2.96Å
214F93.8Very high92.1Very high9 Ų926.8 Ų26.84%0.03913%0.128CC..EExtended strand (participates in β ladder)trans-148.9148.517153.8-94.4000113.7R194 Y196 R216 K253 W254 L337R194-F214 HydrophobicContact CB-CD1 4.32Å; R194-F214 HydrophobicContact CB-CD2 3.84Å; R194-F214 HydrophobicContact CB-CE1 3.97Å; R194-F214 HydrophobicContact CB-CE2 3.39Å; R194-F214 HydrophobicContact CB-CG 4.28Å; R194-F214 HydrophobicContact CB-CZ 3.49Å; R194-F214 VanDerWaalsContact CB-CZ 3.49Å; R194-F214 HydrophobicContact CG-CD1 4.45Å; R194-F214 HydrophobicContact CG-CE1 3.77Å; R194-F214 HydrophobicContact CG-CE2 3.97Å; R194-F214 HydrophobicContact CG-CZ 3.49Å; R194-F214 VanDerWaalsContact CG-CZ 3.49Å; R194-F214 PolarHBondContact N-O 3.15Å; R194-F214 PolarHBondContact O-N 2.71Å; Y196-F214 WeakPolarHBondContact OH-CE1 3.46Å; F214-R216 HydrophobicContact CD2-CG 3.42Å; F214-R216 VanDerWaalsContact CD2-CG 3.42Å; F214-R216 HydrophobicContact CE2-CG 3.32Å; F214-K253 HydrophobicContact CD2-CD 4.3Å; F214-K253 HydrophobicContact CD2-CG 4.38Å; F214-K253 HydrophobicContact CG-CD 4.41Å; F214-W254 CarbonylContact C-O 3.57Å; F214-W254 WeakPolarHBondContact CA-O 3.44Å; F214-W254 WeakPolarHBondContact CB-O 3.49Å; F214-L337 HydrophobicContact CD1-CD2 3.65Å; F214-L337 HydrophobicContact CE1-CD2 4.34Å
215A94.3Very high91.6Very high0 Ų031.1 Ų31.10%015%0.148CC..EExtended strand (participates in β ladder)trans-88.1121.816300000109.4F191 D192 L193 F217 K253 W254 L259F191-A215 HydrophobicContact CD2-CB 3.75Å; F191-A215 HydrophobicContact CE2-CB 4.28Å; F191-A215 HydrophobicContact CG-CB 4.44Å; D192-A215 CarbonylContact O-C 3.46Å; D192-A215 VanDerWaalsContact O-CA 3.24Å; D192-A215 WeakPolarHBondContact O-CA 3.34Å; L193-A215 HydrophobicContact CD2-CB 3.84Å; A215-F217 HydrophobicContact CB-CE2 4.07Å; A215-F217 HydrophobicContact CB-CZ 4.17Å; A215-K253 VanDerWaalsContact O-CA 3.28Å; A215-K253 WeakPolarHBondContact O-CA 3.45Å; A215-W254 HydrophobicContact CB-CB 4.45Å; A215-W254 PolarHBondContact N-O 3.03Å; A215-W254 PolarHBondContact O-N 3.33Å; A215-L259 HydrophobicContact CB-CD2 4.23Å
216R91.7Very high90.7Very high18 Ų1834.2 Ų34.27%0.06817%0.169CC..EExtended strand (participates in β ladder)trans-95.1121.3174.2-62.7-175.2-73.2-164.5-0.2110.6F191 D192 F214 C252 D307F191-R216 CarbonylContact C-O 3.58Å; F191-R216 WeakPolarHBondContact CA-O 3.26Å; F191-R216 WeakPolarHBondContact CB-O 3.48Å; D192-R216 VanDerWaalsContact CG-NH2 3.34Å; D192-R216 PolarHBondContact N-O 2.99Å; D192-R216 VanDerWaalsContact N-O 3.11Å; D192-R216 PolarHBondContact O-N 2.85Å; D192-R216 IonicContact OD1-CZ 3.36Å; D192-R216 IonicContact OD1-NE 3.12Å; D192-R216 PolarHBondContact OD1-NE 3.43Å; D192-R216 VanDerWaalsContact OD1-NE 3.14Å; D192-R216 IonicContact OD1-NH2 2.83Å; D192-R216 PolarHBondContact OD1-NH2 3.23Å; D192-R216 IonicContact OD2-CZ 2.89Å; D192-R216 VanDerWaalsContact OD2-CZ 3.3Å; D192-R216 IonicContact OD2-NE 3.86Å; D192-R216 PolarHBondContact OD2-NE 3.41Å; D192-R216 IonicContact OD2-NH2 3.43Å; D192-R216 PolarHBondContact OD2-NH2 3.42Å; F214-R216 HydrophobicContact CD2-CG 3.42Å; F214-R216 VanDerWaalsContact CD2-CG 3.42Å; F214-R216 HydrophobicContact CE2-CG 3.32Å; R216-C252 WeakPolarHBondContact CA-O 3.42Å; R216-D307 IonicContact CZ-OD2 3.57Å; R216-D307 IonicContact NH2-OD2 3.16Å; R216-D307 PolarHBondContact NH2-OD2 2.8Å
217F90.5Very high89.9Confident5 Ų532.9 Ų32.92%0.02216%0.164CC..EExtended strand (participates in β ladder)trans-91.4145.8178.9-64.2-86.8000111.9L186 R189 K190 F191 A215 C252 W254L186-F217 HydrophobicContact CB-CE1 3.87Å; L186-F217 HydrophobicContact CD1-CE1 3.84Å; L186-F217 HydrophobicContact CD1-CZ 3.83Å; L186-F217 HydrophobicContact CG-CE1 4.42Å; R189-F217 HydrophobicContact CB-CD1 4.45Å; K190-F217 CarbonylContact O-C 3.49Å; K190-F217 WeakPolarHBondContact O-CA 3.49Å; F191-F217 HydrophobicContact CB-CD1 3.58Å; F191-F217 HydrophobicContact CB-CE1 3.67Å; F191-F217 HydrophobicContact CB-CG 4.08Å; F191-F217 HydrophobicContact CB-CZ 4.28Å; F191-F217 HydrophobicContact CD1-CD1 4.11Å; F191-F217 AromaticContact CD1-CE1 3.56Å; F191-F217 HydrophobicContact CD1-CE1 3.56Å; F191-F217 HydrophobicContact CD1-CZ 4.36Å; F191-F217 HydrophobicContact CE1-CE1 4.35Å; F191-F217 HydrophobicContact CG-CD1 4.12Å; F191-F217 AromaticContact CG-CE1 3.7Å; F191-F217 HydrophobicContact CG-CE1 3.7Å; F191-F217 HydrophobicContact CG-CZ 4.23Å; A215-F217 HydrophobicContact CB-CE2 4.07Å; A215-F217 HydrophobicContact CB-CZ 4.17Å; F217-C252 PolarHBondContact N-O 2.93Å; F217-W254 HydrophobicContact CE2-CB 3.86Å; F217-W254 AromaticContact CE2-CD1 3.65Å; F217-W254 AromaticContact CE2-CD2 3.91Å; F217-W254 HydrophobicContact CE2-CD2 3.91Å; F217-W254 AromaticContact CE2-CG 3.52Å; F217-W254 HydrophobicContact CE2-CG 3.52Å; F217-W254 HydrophobicContact CZ-CB 4.39Å; F217-W254 AromaticContact CZ-CD2 3.85Å; F217-W254 HydrophobicContact CZ-CD2 3.85Å; F217-W254 HydrophobicContact CZ-CE3 4.16Å; F217-W254 AromaticContact CZ-CG 3.96Å; F217-W254 HydrophobicContact CZ-CG 3.96Å
218S86.7Confident88.8Confident0 Ų039.5 Ų39.50%020%0.199CC..EExtended strand (participates in β ladder)trans-63.1150.4159.760.90000109.8R189 K190 T220R189-S218 WeakPolarHBondContact CD-O 3.39Å; K190-S218 PolarHBondContact N-OG 2.88Å; K190-S218 PolarHBondContact O-N 3.25Å; K190-S218 PolarHBondContact O-OG 3.12Å; S218-T220 PolarHBondContact OG-O 3.35Å
219N80.9Confident87.8Confident11 Ų1141.4 Ų41.46%0.05921%0.211CC..EExtended strand (participates in β ladder)trans-70.9-40.1174.5-161.131.8000111.1Q240 D245 Y246N219-Q240 VanDerWaalsContact CB-OE1 3.28Å; N219-D245 PolarHBondContact ND2-O 2.84Å; N219-D245 PolarHBondContact ND2-OD1 3.1Å; N219-D245 PolarHBondContact ND2-OD2 2.65Å; N219-Y246 WeakPolarHBondContact ND2-CA 3.35Å; N219-Y246 PolarHBondContact ND2-N 3.17Å
220T82.9Confident86.8Confident29 Ų2945.2 Ų45.218%0.17823%0.228CC..EExtended strand (participates in β ladder)trans-94.7160.5-176.256.30000112.6S218 Y231 I232S218-T220 PolarHBondContact OG-O 3.35Å; T220-Y231 PolarHBondContact OG1-O 2.8Å; T220-I232 WeakPolarHBondContact OG1-CA 3.41Å; T220-I232 WeakPolarHBondContact OG1-CG1 3.36Å
221R86.4Confident85.7Confident196 Ų19648.3 Ų48.374%0.7424%0.24SC*.EExtended strand (participates in β ladder)trans-68.6143.3174.1-72-173.6176.3-168.61.1110.3G188 S223G188-R221 CarbonylContact O-C 3.01Å; G188-R221 WeakPolarHBondContact O-CA 3.08Å; R221-S223 PolarHBondContact O-N 2.99Å
222F87.8Confident84.7Confident34 Ų3448.4 Ų48.415%0.14924%0.242CC..PPolyproline II helixtrans-69.5124.8176.1-174.6-101.8000110.7Y179 P183 L185 G188 K190 L224 I232 H233Y179-F222 HydrophobicContact CE1-CE2 4.22Å; Y179-F222 HydrophobicContact CE1-CZ 4.26Å; P183-F222 VanDerWaalsContact CD-CZ 3.49Å; P183-F222 HydrophobicContact CG-CD1 4.06Å; P183-F222 HydrophobicContact CG-CD2 4.01Å; P183-F222 HydrophobicContact CG-CE1 3.74Å; P183-F222 HydrophobicContact CG-CE2 3.69Å; P183-F222 HydrophobicContact CG-CG 4.17Å; P183-F222 HydrophobicContact CG-CZ 3.53Å; L185-F222 HydrophobicContact CD1-CB 3.95Å; L185-F222 HydrophobicContact CD1-CD1 4.09Å; L185-F222 HydrophobicContact CD1-CG 4.4Å; L185-F222 HydrophobicContact CD2-CB 3.53Å; L185-F222 HydrophobicContact CD2-CD1 4.15Å; L185-F222 HydrophobicContact CD2-CG 3.87Å; L185-F222 HydrophobicContact CG-CB 4.41Å; G188-F222 PolarHBondContact O-N 3.35Å; K190-F222 HydrophobicContact CB-CB 4.44Å; K190-F222 HydrophobicContact CB-CD2 4.03Å; K190-F222 HydrophobicContact CD-CD2 4.14Å; K190-F222 HydrophobicContact CD-CE2 4.21Å; F222-L224 HydrophobicContact CE1-CD2 4.09Å; F222-L224 HydrophobicContact CE1-CG 3.96Å; F222-L224 HydrophobicContact CE2-CD2 4.37Å; F222-L224 HydrophobicContact CZ-CD2 3.59Å; F222-L224 HydrophobicContact CZ-CG 4Å; F222-I232 HydrophobicContact CD2-CG2 4.18Å; F222-H233 AromaticContact CE2-ND1 3.92Å
223S87Confident84.1Confident33 Ų3346.4 Ų46.423%0.23123%0.231CC..  trans-139.6150.1167.4174.60000109.3R221 D225 H233R221-S223 PolarHBondContact O-N 2.99Å; S223-D225 WeakPolarHBondContact OG-CB 3.4Å; S223-D225 VanDerWaalsContact OG-CG 3.24Å; S223-D225 PolarHBondContact OG-N 3.22Å; S223-D225 PolarHBondContact OG-OD2 3.23Å; S223-H233 PolarHBondContact O-CE1 3.37Å; S223-H233 VanDerWaalsContact O-CE1 3.22Å
224L86.5Confident83.4Confident51 Ų5147.1 Ų47.127%0.26724%0.235SC..SBendtrans-101.23.9171.8-66.6177.8000112.4I124 R142 Y179 T181 F222I124-L224 HydrophobicContact CD1-CD2 3.95Å; R142-L224 PolarHBondContact NH2-O 3.02Å; Y179-L224 HydrophobicContact CE1-CD2 4.35Å; T181-L224 HydrophobicContact CG2-CD1 4.36Å; F222-L224 HydrophobicContact CE1-CD2 4.09Å; F222-L224 HydrophobicContact CE1-CG 3.96Å; F222-L224 HydrophobicContact CE2-CD2 4.37Å; F222-L224 HydrophobicContact CZ-CD2 3.59Å; F222-L224 HydrophobicContact CZ-CG 4Å
225D84.3Confident82.4Confident149 Ų14947.5 Ų47.580%0.79724%0.237SC*.SBendtrans-72.7-35.6178.7-56.3-37.9000110.9S223S223-D225 WeakPolarHBondContact OG-CB 3.4Å; S223-D225 VanDerWaalsContact OG-CG 3.24Å; S223-D225 PolarHBondContact OG-N 3.22Å; S223-D225 PolarHBondContact OG-OD2 3.23Å
226S79.9Confident81.6Confident64 Ų6449.9 Ų49.945%0.44825%0.25SS..  trans-116.173.6-179.2-59.60000111.4D228 D229 H233S226-D228 PolarHBondContact O-N 3.41Å; S226-D229 WeakPolarHBondContact O-CB 3.37Å; S226-D229 PolarHBondContact O-N 2.83Å; S226-D229 VanDerWaalsContact O-N 3.15Å; S226-H233 PolarHBondContact O-NE2 2.97Å
227I81.8Confident80.6Confident22 Ų2251.6 Ų51.611%0.11326%0.26CS..THydrogen-bonded Turntrans-64.2-21.1-178.963.4171.8000114.2I124 L140 R142 D229 H233I124-I227 HydrophobicContact CD1-CG2 3.94Å; L140-I227 HydrophobicContact CB-CB 4.44Å; R142-I227 HydrophobicContact CB-CD1 4.21Å; I227-D229 VanDerWaalsContact C-N 3.28Å; I227-H233 WeakPolarHBondContact CA-NE2 3.45Å; I227-H233 PolarHBondContact O-CD2 2.88Å
228D75.8Confident79.2Confident138 Ų13853.3 Ų53.374%0.73828%0.275SS*.THydrogen-bonded Turntrans-77.8-15.6179.6-58.9-40000112.2S226 Q230S226-D228 PolarHBondContact O-N 3.41Å; D228-Q230 PolarHBondContact O-N 2.81Å; D228-Q230 VanDerWaalsContact O-N 3.08Å
229D76.3Confident78.3Confident52 Ų5253.9 Ų53.928%0.27828%0.279SS..  trans-7797.4178.1-171.6-16.3000110.7S226 I227 Y231 I232 H233S226-D229 WeakPolarHBondContact O-CB 3.37Å; S226-D229 PolarHBondContact O-N 2.83Å; S226-D229 VanDerWaalsContact O-N 3.15Å; I227-D229 VanDerWaalsContact C-N 3.28Å; D229-Y231 PolarHBondContact O-N 2.91Å; D229-Y231 VanDerWaalsContact OD1-CB 3.28Å; D229-Y231 WeakPolarHBondContact OD1-CB 3.37Å; D229-Y231 VanDerWaalsContact OD1-CD2 3.28Å; D229-Y231 WeakPolarHBondContact OD1-CD2 3.24Å; D229-Y231 PolarHBondContact OD1-N 2.74Å; D229-I232 HydrophobicContact CB-CB 4.44Å; D229-I232 HydrophobicContact CB-CD1 3.8Å; D229-I232 HydrophobicContact CB-CG1 4.01Å; D229-I232 PolarHBondContact O-N 3.34Å; D229-I232 WeakPolarHBondContact OD2-CD1 3.42Å; D229-I232 WeakPolarHBondContact OD2-CG1 3.45Å; D229-H233 PolarHBondContact O-CD2 3.31Å
230Q76.7Confident78Confident80 Ų8053.7 Ų53.737%0.37428%0.278SS..Hα-helixtrans-60.7-27.9178.6-65.8-1752.700113I138 D228 I232 H233 L234 V239I138-Q230 PolarHBondContact O-NE2 2.94Å; I138-Q230 VanDerWaalsContact O-NE2 3.12Å; D228-Q230 PolarHBondContact O-N 2.81Å; D228-Q230 VanDerWaalsContact O-N 3.08Å; Q230-I232 VanDerWaalsContact C-N 3.3Å; Q230-I232 PolarHBondContact O-N 2.85Å; Q230-H233 PolarHBondContact O-N 3.46Å; Q230-L234 HydrophobicContact CB-CD1 4.14Å; Q230-L234 HydrophobicContact CG-CD1 4.39Å; Q230-L234 WeakPolarHBondContact O-CB 3.47Å; Q230-L234 PolarHBondContact O-N 3.35Å; Q230-V239 HydrophobicContact CB-CG1 4.36Å
231Y73.6Confident77.4Confident68 Ų6858.5 Ų58.527%0.26730%0.296SS..Hα-helixtrans-70.1-29.5-178.3-55.3-68.4000112.1T220 D229 V239 Q240 T242 A243T220-Y231 PolarHBondContact OG1-O 2.8Å; D229-Y231 PolarHBondContact O-N 2.91Å; D229-Y231 VanDerWaalsContact OD1-CB 3.28Å; D229-Y231 WeakPolarHBondContact OD1-CB 3.37Å; D229-Y231 VanDerWaalsContact OD1-CD2 3.28Å; D229-Y231 WeakPolarHBondContact OD1-CD2 3.24Å; D229-Y231 PolarHBondContact OD1-N 2.74Å; Y231-V239 HydrophobicContact CD1-CG1 4.17Å; Y231-V239 HydrophobicContact CE1-CG1 4.42Å; Y231-V239 WeakPolarHBondContact CE1-O 3.11Å; Y231-Q240 PolarHBondContact O-NE2 3.11Å; Y231-T242 WeakPolarHBondContact CE1-OG1 3.02Å; Y231-T242 PolarHBondContact OH-O 3.12Å; Y231-A243 HydrophobicContact CD1-CB 3.58Å; Y231-A243 VanDerWaalsContact CE1-CA 3.42Å; Y231-A243 HydrophobicContact CE1-CB 3.75Å; Y231-A243 HydrophobicContact CG-CB 4.12Å
232I74.6Confident76.8Confident13 Ų1353.4 Ų53.47%0.06729%0.287CS..Hα-helixtrans-71.2-39.3173.2-63.6178.1000110.8T220 F222 D229 Q230T220-I232 WeakPolarHBondContact OG1-CA 3.41Å; T220-I232 WeakPolarHBondContact OG1-CG1 3.36Å; F222-I232 HydrophobicContact CD2-CG2 4.18Å; D229-I232 HydrophobicContact CB-CB 4.44Å; D229-I232 HydrophobicContact CB-CD1 3.8Å; D229-I232 HydrophobicContact CB-CG1 4.01Å; D229-I232 PolarHBondContact O-N 3.34Å; D229-I232 WeakPolarHBondContact OD2-CD1 3.42Å; D229-I232 WeakPolarHBondContact OD2-CG1 3.45Å; Q230-I232 VanDerWaalsContact C-N 3.3Å; Q230-I232 PolarHBondContact O-N 2.85Å
233H79.4Confident76Confident2 Ų252.1 Ų52.11%0.00928%0.282CS..Hα-helixtrans-99.6-24.4-164.6-62.9-55.2000115.2L140 Y179 K190 F222 S223 S226 I227 D229 Q230L140-H233 HydrophobicContact CD1-CB 3.92Å; L140-H233 HydrophobicContact CD2-CB 4.18Å; Y179-H233 HydrophobicContact CE2-CB 4.34Å; Y179-H233 AromaticContact CZ-ND1 3.62Å; Y179-H233 WeakPolarHBondContact OH-CB 3.2Å; Y179-H233 PolarHBondContact OH-ND1 3Å; K190-H233 PolarHBondContact NZ-O 3.08Å; F222-H233 AromaticContact CE2-ND1 3.92Å; S223-H233 PolarHBondContact O-CE1 3.37Å; S223-H233 VanDerWaalsContact O-CE1 3.22Å; S226-H233 PolarHBondContact O-NE2 2.97Å; I227-H233 WeakPolarHBondContact CA-NE2 3.45Å; I227-H233 PolarHBondContact O-CD2 2.88Å; D229-H233 PolarHBondContact O-CD2 3.31Å; Q230-H233 PolarHBondContact O-N 3.46Å
234L79.6Confident75.2Confident16 Ų1656.7 Ų56.78%0.08431%0.311CS..  trans-113.6109.5-175.7-54.4-177.4000111.7I126 I138 Q230 N236 V239 Q240I126-L234 HydrophobicContact CD1-CD2 4.12Å; I138-L234 HydrophobicContact CB-CD1 4.08Å; I138-L234 HydrophobicContact CG2-CD1 4.1Å; I138-L234 HydrophobicContact CG2-CD2 3.85Å; Q230-L234 HydrophobicContact CB-CD1 4.14Å; Q230-L234 HydrophobicContact CG-CD1 4.39Å; Q230-L234 WeakPolarHBondContact O-CB 3.47Å; Q230-L234 PolarHBondContact O-N 3.35Å; L234-N236 VanDerWaalsContact C-N 3.27Å; L234-N236 PolarHBondContact O-N 2.86Å; L234-V239 HydrophobicContact CB-CB 4.47Å; L234-V239 HydrophobicContact CB-CG1 4.26Å; L234-V239 HydrophobicContact CB-CG2 4.42Å; L234-V239 HydrophobicContact CD1-CG1 4.49Å; L234-V239 HydrophobicContact CD1-CG2 4.22Å; L234-Q240 PolarHBondContact O-NE2 3.03Å
235T74.9Confident74.5Confident16 Ų1657.7 Ų57.710%0.09832%0.317CS..  trans-81.12.1-178.348.40000114.5K190 D192 I237K190-T235 HydrophobicContact CG-CG2 4.49Å; D192-T235 WeakPolarHBondContact OD1-CB 3.41Å; D192-T235 PolarHBondContact OD1-OG1 3.45Å; T235-I237 PolarHBondContact O-N 2.91Å
236N76.8Confident73.7Confident51 Ų5154.6 Ų54.627%0.27329%0.294SS..  trans-66.8132.1-178.4-165.9-24.7000110.6L234 A238 V239 Q240L234-N236 VanDerWaalsContact C-N 3.27Å; L234-N236 PolarHBondContact O-N 2.86Å; N236-A238 PolarHBondContact O-N 2.92Å; N236-A238 VanDerWaalsContact O-N 3.14Å; N236-A238 PolarHBondContact OD1-N 3.24Å; N236-V239 PolarHBondContact O-N 2.52Å; N236-Q240 WeakPolarHBondContact O-CG 3.45Å; N236-Q240 PolarHBondContact O-N 2.89Å
237I69.4Low73Confident54 Ų5454 Ų5428%0.27729%0.286SS..Hα-helixtrans-53.5-37.6-179.8-62.5173.9000111.6T235 V239 Q240 K241T235-I237 PolarHBondContact O-N 2.91Å; I237-V239 PolarHBondContact O-N 3.45Å; I237-Q240 PolarHBondContact O-N 3.24Å; I237-K241 HydrophobicContact CG2-CD 3.91Å; I237-K241 HydrophobicContact CG2-CG 3.99Å; I237-K241 WeakPolarHBondContact O-CB 3.46Å; I237-K241 WeakPolarHBondContact O-CG 3.43Å; I237-K241 PolarHBondContact O-N 3.22Å
238A61.2Low72.2Confident41 Ų4156.5 Ų56.534%0.33931%0.311SS..Hα-helixtrans-61.3-33179.100000113.1Q134 N236Q134-A238 HydrophobicContact CB-CB 4.05Å; N236-A238 PolarHBondContact O-N 2.92Å; N236-A238 VanDerWaalsContact O-N 3.14Å; N236-A238 PolarHBondContact OD1-N 3.24Å
239V69.3Low71.4Confident11 Ų1158.6 Ų58.67%0.06732%0.316CS..Hα-helixtrans-84.4-42175.7-179.80000110.2Q230 Y231 L234 N236 I237 K241 T242Q230-V239 HydrophobicContact CB-CG1 4.36Å; Y231-V239 HydrophobicContact CD1-CG1 4.17Å; Y231-V239 HydrophobicContact CE1-CG1 4.42Å; Y231-V239 WeakPolarHBondContact CE1-O 3.11Å; L234-V239 HydrophobicContact CB-CB 4.47Å; L234-V239 HydrophobicContact CB-CG1 4.26Å; L234-V239 HydrophobicContact CB-CG2 4.42Å; L234-V239 HydrophobicContact CD1-CG1 4.49Å; L234-V239 HydrophobicContact CD1-CG2 4.22Å; N236-V239 PolarHBondContact O-N 2.52Å; I237-V239 PolarHBondContact O-N 3.45Å; V239-K241 VanDerWaalsContact C-N 3.33Å; V239-K241 PolarHBondContact O-N 2.83Å; V239-T242 PolarHBondContact O-N 2.87Å; V239-T242 PolarHBondContact O-OG1 2.9Å
240Q73.4Confident70.6Confident8 Ų861.3 Ų61.34%0.03733%0.325CS..Hα-helixtrans-65.6-35.3-177.2-65.5-64.6-5200112.6N219 Y231 L234 N236 I237 T242 A243 Y246N219-Q240 VanDerWaalsContact CB-OE1 3.28Å; Y231-Q240 PolarHBondContact O-NE2 3.11Å; L234-Q240 PolarHBondContact O-NE2 3.03Å; N236-Q240 WeakPolarHBondContact O-CG 3.45Å; N236-Q240 PolarHBondContact O-N 2.89Å; I237-Q240 PolarHBondContact O-N 3.24Å; Q240-T242 PolarHBondContact O-N 3.09Å; Q240-A243 WeakPolarHBondContact O-CB 3.39Å; Q240-A243 PolarHBondContact O-N 3.08Å; Q240-Y246 HydrophobicContact CB-CD2 4.3Å; Q240-Y246 HydrophobicContact CB-CE2 4.35Å; Q240-Y246 WeakPolarHBondContact O-CB 3.24Å; Q240-Y246 WeakPolarHBondContact O-CD2 3.28Å
241K71.1Confident69.9Low129 Ų12959.1 Ų59.156%0.56133%0.325SS*.THydrogen-bonded Turntrans-63.4-20.5176.6-79.9-176.3174.4-170.70114.1I237 V239 A243 Y246I237-K241 HydrophobicContact CG2-CD 3.91Å; I237-K241 HydrophobicContact CG2-CG 3.99Å; I237-K241 WeakPolarHBondContact O-CB 3.46Å; I237-K241 WeakPolarHBondContact O-CG 3.43Å; I237-K241 PolarHBondContact O-N 3.22Å; V239-K241 VanDerWaalsContact C-N 3.33Å; V239-K241 PolarHBondContact O-N 2.83Å; K241-A243 VanDerWaalsContact C-N 3.32Å; K241-Y246 HydrophobicContact CG-CE1 4.06Å; K241-Y246 HydrophobicContact CG-CE2 4.1Å
242T73.2Confident70.1Confident89 Ų8957.2 Ų57.255%0.54632%0.321SS..THydrogen-bonded Turntrans-91.93.3176.367.40000112.2Y231 V239 Q240Y231-T242 WeakPolarHBondContact CE1-OG1 3.02Å; Y231-T242 PolarHBondContact OH-O 3.12Å; V239-T242 PolarHBondContact O-N 2.87Å; V239-T242 PolarHBondContact O-OG1 2.9Å; Q240-T242 PolarHBondContact O-N 3.09Å
243A70.2Confident70.7Confident7 Ų759 Ų596%0.05833%0.328CS..SBendtrans-71.8135.9175.900000110.1Y231 Q240 K241 D245 Y246Y231-A243 HydrophobicContact CD1-CB 3.58Å; Y231-A243 VanDerWaalsContact CE1-CA 3.42Å; Y231-A243 HydrophobicContact CE1-CB 3.75Å; Y231-A243 HydrophobicContact CG-CB 4.12Å; Q240-A243 WeakPolarHBondContact O-CB 3.39Å; Q240-A243 PolarHBondContact O-N 3.08Å; K241-A243 VanDerWaalsContact C-N 3.32Å; A243-D245 PolarHBondContact O-N 3.38Å; A243-Y246 VanDerWaalsContact O-CB 3.3Å; A243-Y246 WeakPolarHBondContact O-CB 3.38Å; A243-Y246 PolarHBondContact O-N 2.83Å; A243-Y246 VanDerWaalsContact O-N 3.08Å
244P71.1Confident71.2Confident129 Ų12960.5 Ų60.584%0.83833%0.334SS*.THydrogen-bonded Turntrans-59.2-28.7-179.6-23.933000114
245D71.8Confident71.8Confident72 Ų7261.8 Ų61.839%0.38534%0.344SS..THydrogen-bonded Turntrans-103.314.9-178.570-30.7000112.8N219 A243 D247N219-D245 PolarHBondContact ND2-O 2.84Å; N219-D245 PolarHBondContact ND2-OD1 3.1Å; N219-D245 PolarHBondContact ND2-OD2 2.65Å; A243-D245 PolarHBondContact O-N 3.38Å; D245-D247 PolarHBondContact O-N 3.48Å; D245-D247 VanDerWaalsContact O-N 3.13Å
246Y66.9Low72.8Confident84 Ų8461 Ų6133%0.32934%0.339SS..  trans-58.2118.4-179.3178.9-99.1000110.2N219 Q240 K241 A243 A248N219-Y246 WeakPolarHBondContact ND2-CA 3.35Å; N219-Y246 PolarHBondContact ND2-N 3.17Å; Q240-Y246 HydrophobicContact CB-CD2 4.3Å; Q240-Y246 HydrophobicContact CB-CE2 4.35Å; Q240-Y246 WeakPolarHBondContact O-CB 3.24Å; Q240-Y246 WeakPolarHBondContact O-CD2 3.28Å; K241-Y246 HydrophobicContact CG-CE1 4.06Å; K241-Y246 HydrophobicContact CG-CE2 4.1Å; A243-Y246 VanDerWaalsContact O-CB 3.3Å; A243-Y246 WeakPolarHBondContact O-CB 3.38Å; A243-Y246 PolarHBondContact O-N 2.83Å; A243-Y246 VanDerWaalsContact O-N 3.08Å; Y246-A248 HydrophobicContact CE1-CB 4.05Å
247D65.7Low73.5Confident51 Ų5159.1 Ų59.127%0.27333%0.331SS..  trans-121.4112.2178.3-172.7-17.1000108.3D245 E249 K250D245-D247 PolarHBondContact O-N 3.48Å; D245-D247 VanDerWaalsContact O-N 3.13Å; D247-E249 PolarHBondContact O-N 3.48Å; D247-E249 WeakPolarHBondContact OD1-CA 3.28Å; D247-E249 VanDerWaalsContact OD1-CB 3.3Å; D247-E249 WeakPolarHBondContact OD1-CB 2.97Å; D247-E249 PolarHBondContact OD1-N 3.42Å; D247-K250 HydrophobicContact CB-CB 4.05Å; D247-K250 HydrophobicContact CB-CD 3.74Å; D247-K250 HydrophobicContact CB-CG 3.83Å; D247-K250 PolarHBondContact O-N 3.38Å; D247-K250 PolarHBondContact OD1-N 3.47Å; D247-K250 WeakPolarHBondContact OD2-CE 3.32Å; D247-K250 WeakPolarHBondContact OD2-CG 2.97Å
248A65.4Low74.6Confident76 Ų7662.4 Ų62.463%0.62834%0.34SS*.SBendtrans-64.6-25.3176.900000112Y246Y246-A248 HydrophobicContact CE1-CB 4.05Å
249E58Low76.2Confident182 Ų18260.4 Ų60.485%0.8532%0.324SS*.THydrogen-bonded Turntrans-85-23-176.6-57.6-170.2166.500113.3D247 G251D247-E249 PolarHBondContact O-N 3.48Å; D247-E249 WeakPolarHBondContact OD1-CA 3.28Å; D247-E249 VanDerWaalsContact OD1-CB 3.3Å; D247-E249 WeakPolarHBondContact OD1-CB 2.97Å; D247-E249 PolarHBondContact OD1-N 3.42Å; E249-G251 PolarHBondContact O-N 3.44Å
250K61.1Low77.4Confident108 Ų10860.7 Ų60.747%0.4732%0.324SS..THydrogen-bonded Turntrans-60.91.1178-87.9178.4-159.4163.50115.2D247D247-K250 HydrophobicContact CB-CB 4.05Å; D247-K250 HydrophobicContact CB-CD 3.74Å; D247-K250 HydrophobicContact CB-CG 3.83Å; D247-K250 PolarHBondContact O-N 3.38Å; D247-K250 PolarHBondContact OD1-N 3.47Å; D247-K250 WeakPolarHBondContact OD2-CE 3.32Å; D247-K250 WeakPolarHBondContact OD2-CG 2.97Å
251G61.3Low78.4Confident35 Ų3567.3 Ų67.336%0.36135%0.349SS..  trans62.966.8173.700000111.5E249 K253E249-G251 PolarHBondContact O-N 3.44Å; G251-K253 PolarHBondContact O-N 2.98Å; G251-K253 VanDerWaalsContact O-N 3.11Å
252C76.9Confident79.5Confident28 Ų2865.5 Ų65.519%0.18934%0.342CS..  trans-73.97.5178.2-62.60000113.7R216 F217R216-C252 WeakPolarHBondContact CA-O 3.42Å; F217-C252 PolarHBondContact N-O 2.93Å
253K87.8Confident80.5Confident50 Ų5061.3 Ų61.322%0.21732%0.316CS..EExtended strand (participates in β ladder)trans-133129.7-179.9-70.3-177.9175.3179.70111.7F214 A215 G251 S330 D334F214-K253 HydrophobicContact CD2-CD 4.3Å; F214-K253 HydrophobicContact CD2-CG 4.38Å; F214-K253 HydrophobicContact CG-CD 4.41Å; A215-K253 VanDerWaalsContact O-CA 3.28Å; A215-K253 WeakPolarHBondContact O-CA 3.45Å; G251-K253 PolarHBondContact O-N 2.98Å; G251-K253 VanDerWaalsContact O-N 3.11Å; K253-S330 PolarHBondContact NZ-OG 3.01Å; K253-D334 IonicContact NZ-OD1 3.99Å; K253-D334 PolarHBondContact NZ-OD1 3.4Å; K253-D334 IonicContact NZ-OD2 2.65Å; K253-D334 PolarHBondContact NZ-OD2 3.32Å; K253-D334 VanDerWaalsContact NZ-OD2 3.11Å
254W91Very high81.7Confident34 Ų3463.7 Ų63.713%0.12933%0.328CS..EExtended strand (participates in β ladder)trans-112.4143.9163.3-7311.1000109L186 F214 A215 F217 R258 Q262L186-W254 HydrophobicContact CD1-CE3 4.05Å; L186-W254 HydrophobicContact CD1-CH2 4.26Å; L186-W254 HydrophobicContact CD1-CZ3 3.69Å; F214-W254 CarbonylContact C-O 3.57Å; F214-W254 WeakPolarHBondContact CA-O 3.44Å; F214-W254 WeakPolarHBondContact CB-O 3.49Å; A215-W254 HydrophobicContact CB-CB 4.45Å; A215-W254 PolarHBondContact N-O 3.03Å; A215-W254 PolarHBondContact O-N 3.33Å; F217-W254 HydrophobicContact CE2-CB 3.86Å; F217-W254 AromaticContact CE2-CD1 3.65Å; F217-W254 AromaticContact CE2-CD2 3.91Å; F217-W254 HydrophobicContact CE2-CD2 3.91Å; F217-W254 AromaticContact CE2-CG 3.52Å; F217-W254 HydrophobicContact CE2-CG 3.52Å; F217-W254 HydrophobicContact CZ-CB 4.39Å; F217-W254 AromaticContact CZ-CD2 3.85Å; F217-W254 HydrophobicContact CZ-CD2 3.85Å; F217-W254 HydrophobicContact CZ-CE3 4.16Å; F217-W254 AromaticContact CZ-CG 3.96Å; F217-W254 HydrophobicContact CZ-CG 3.96Å; W254-R258 HydrophobicContact CB-CB 4.46Å; W254-R258 HydrophobicContact CD2-CG 4.11Å; W254-R258 VanDerWaalsContact CE2-CZ 3.44Å; W254-R258 HydrophobicContact CE3-CG 3.95Å; W254-R258 HydrophobicContact CG-CG 4.37Å; W254-R258 HydrophobicContact CZ3-CG 4.5Å; W254-Q262 HydrophobicContact CH2-CG 4.47Å; W254-Q262 HydrophobicContact CZ3-CB 4.07Å; W254-Q262 HydrophobicContact CZ3-CG 4.06Å
255S92Very high82.9Confident43 Ų4361.8 Ų61.830%0.30132%0.323SS..EExtended strand (participates in β ladder)trans-62.5153.216664.60000110.5G213 G257 R258 L259G213-S255 WeakPolarHBondContact O-CA 3.32Å; S255-G257 PolarHBondContact O-N 2.95Å; S255-R258 PolarHBondContact O-N 2.64Å; S255-R258 VanDerWaalsContact O-N 3.12Å; S255-R258 PolarHBondContact OG-N 3.28Å; S255-R258 VanDerWaalsContact OG-N 3.15Å; S255-L259 PolarHBondContact O-N 3.26Å
256I94.4Very high84.1Confident0 Ų064 Ų640%033%0.329CS..Hα-helixtrans-62.6-33.5175.7-61.2-64.7000109.6L193 V195 D212 G213 R258 L259 R260 F276 L419L193-I256 HydrophobicContact CB-CD1 4.06Å; L193-I256 HydrophobicContact CD1-CD1 4.3Å; L193-I256 HydrophobicContact CD2-CD1 3.71Å; L193-I256 HydrophobicContact CG-CD1 4.25Å; V195-I256 HydrophobicContact CG1-CD1 4.05Å; V195-I256 HydrophobicContact CG1-CG1 4.08Å; D212-I256 PolarHBondContact OD1-N 3.17Å; D212-I256 VanDerWaalsContact OD1-N 3.12Å; G213-I256 VanDerWaalsContact C-CG1 3.5Å; G213-I256 PolarHBondContact O-N 2.96Å; I256-R258 PolarHBondContact O-N 3.4Å; I256-L259 PolarHBondContact O-N 3.36Å; I256-R260 WeakPolarHBondContact O-CB 3.16Å; I256-R260 PolarHBondContact O-N 2.68Å; I256-F276 HydrophobicContact CG2-CE1 3.87Å; I256-F276 HydrophobicContact CG2-CZ 4.07Å; I256-L419 HydrophobicContact CG2-CD1 4.28Å; I256-L419 HydrophobicContact CG2-CG 4.27Å
257G92.6Very high85.4Confident10 Ų1062.8 Ų62.810%0.10332%0.324CS..Hα-helixtrans-58.8-43.1172.700000114.1S255 R261 G420S255-G257 PolarHBondContact O-N 2.95Å; G257-R261 WeakPolarHBondContact O-CG 3.27Å; G257-R261 PolarHBondContact O-N 2.86Å; G257-R261 VanDerWaalsContact O-N 3.15Å; G257-G420 WeakPolarHBondContact CA-O 3.25Å
258R92.5Very high86.8Confident123 Ų12361.9 Ų61.946%0.46433%0.327SS..Hα-helixtrans-65.2-44.7174.6179.1178.9176.9176.42.5111.4W254 S255 I256 R261 Q262W254-R258 HydrophobicContact CB-CB 4.46Å; W254-R258 HydrophobicContact CD2-CG 4.11Å; W254-R258 VanDerWaalsContact CE2-CZ 3.44Å; W254-R258 HydrophobicContact CE3-CG 3.95Å; W254-R258 HydrophobicContact CG-CG 4.37Å; W254-R258 HydrophobicContact CZ3-CG 4.5Å; S255-R258 PolarHBondContact O-N 2.64Å; S255-R258 VanDerWaalsContact O-N 3.12Å; S255-R258 PolarHBondContact OG-N 3.28Å; S255-R258 VanDerWaalsContact OG-N 3.15Å; I256-R258 PolarHBondContact O-N 3.4Å; R258-R261 PolarHBondContact O-N 2.82Å; R258-Q262 PolarHBondContact O-N 3.12Å; R258-Q262 VanDerWaalsContact O-N 3.1Å
259L94.1Very high88Confident0 Ų064 Ų640%032%0.32CS..Hα-helixtrans-59.8-47.7177.2173.865.8000111.4L186 F191 L193 A215 S255 I256 R261 Q262 L263L186-L259 HydrophobicContact CD1-CD1 3.55Å; F191-L259 HydrophobicContact CE2-CD1 4.14Å; F191-L259 HydrophobicContact CE2-CD2 3.81Å; F191-L259 HydrophobicContact CZ-CD1 3.92Å; F191-L259 HydrophobicContact CZ-CD2 4.35Å; L193-L259 HydrophobicContact CD1-CD2 4.47Å; L193-L259 HydrophobicContact CD2-CD2 3.32Å; A215-L259 HydrophobicContact CB-CD2 4.23Å; S255-L259 PolarHBondContact O-N 3.26Å; I256-L259 PolarHBondContact O-N 3.36Å; L259-R261 VanDerWaalsContact C-N 3.34Å; L259-R261 PolarHBondContact O-N 3.16Å; L259-Q262 WeakPolarHBondContact O-CB 3.21Å; L259-Q262 PolarHBondContact O-N 3.05Å; L259-Q262 VanDerWaalsContact O-N 3.12Å; L259-L263 HydrophobicContact CD1-CD1 4.1Å; L259-L263 HydrophobicContact CD1-CG 4.12Å; L259-L263 HydrophobicContact CG-CD1 3.98Å; L259-L263 HydrophobicContact CG-CG 4.39Å; L259-L263 WeakPolarHBondContact O-CG 3.45Å; L259-L263 PolarHBondContact O-N 3.26Å
260R94.9Very high89.7Confident16 Ų1663.1 Ų63.16%0.0632%0.316CS..Hα-helixtrans-58.4-45.7179.9-172.3-177.3179986.1111I256 Q262 L263 L264 V272 F276 L419 G420I256-R260 WeakPolarHBondContact O-CB 3.16Å; I256-R260 PolarHBondContact O-N 2.68Å; R260-Q262 VanDerWaalsContact C-N 3.33Å; R260-Q262 PolarHBondContact O-N 2.96Å; R260-L263 PolarHBondContact O-N 2.83Å; R260-L264 HydrophobicContact CG-CD1 4.07Å; R260-L264 HydrophobicContact CG-CG 4.41Å; R260-L264 WeakPolarHBondContact O-CB 3.42Å; R260-L264 VanDerWaalsContact O-CG 3.28Å; R260-L264 WeakPolarHBondContact O-CG 3.31Å; R260-L264 PolarHBondContact O-N 2.79Å; R260-V272 HydrophobicContact CG-CG1 4.04Å; R260-F276 HydrophobicContact CB-CE2 4.1Å; R260-F276 HydrophobicContact CB-CZ 3.95Å; R260-F276 HydrophobicContact CG-CD2 4.5Å; R260-F276 HydrophobicContact CG-CE2 3.72Å; R260-F276 HydrophobicContact CG-CZ 4Å; R260-L419 PolarHBondContact NH1-O 3.06Å; R260-G420 WeakPolarHBondContact CD-O 3.35Å
261R94.2Very high91.3Very high148 Ų14863.6 Ų63.656%0.55832%0.318SS*.Hα-helixtrans-58.5-43.3174.9-74.2-171.4-67.2-113.52112.6G257 R258 L259 L263 L264 A265G257-R261 WeakPolarHBondContact O-CG 3.27Å; G257-R261 PolarHBondContact O-N 2.86Å; G257-R261 VanDerWaalsContact O-N 3.15Å; R258-R261 PolarHBondContact O-N 2.82Å; L259-R261 VanDerWaalsContact C-N 3.34Å; L259-R261 PolarHBondContact O-N 3.16Å; R261-L263 PolarHBondContact O-N 3.15Å; R261-L264 PolarHBondContact O-N 3.45Å; R261-A265 PolarHBondContact O-N 3.36Å
262Q94.1Very high92.9Very high90 Ų9062 Ų6242%0.42130%0.301SS..Hα-helixtrans-63-41.8177.4-173.765.224.100112.1L186 W254 R258 L259 R260 K266L186-Q262 HydrophobicContact CD2-CG 4.19Å; W254-Q262 HydrophobicContact CH2-CG 4.47Å; W254-Q262 HydrophobicContact CZ3-CB 4.07Å; W254-Q262 HydrophobicContact CZ3-CG 4.06Å; R258-Q262 PolarHBondContact O-N 3.12Å; R258-Q262 VanDerWaalsContact O-N 3.1Å; L259-Q262 WeakPolarHBondContact O-CB 3.21Å; L259-Q262 PolarHBondContact O-N 3.05Å; L259-Q262 VanDerWaalsContact O-N 3.12Å; R260-Q262 VanDerWaalsContact C-N 3.33Å; R260-Q262 PolarHBondContact O-N 2.96Å; Q262-K266 PolarHBondContact O-N 3.2Å
263L95.4Very high93.6Very high1 Ų161.3 Ų61.31%0.00530%0.297CS..Hα-helixtrans-67.9-40.8177.3-67.6173.6000111.5Y184 L259 R260 R261 A265 K266 Y267 V272 L275 L314Y184-L263 HydrophobicContact CD1-CD2 4.36Å; Y184-L263 HydrophobicContact CE1-CD2 3.56Å; L259-L263 HydrophobicContact CD1-CD1 4.1Å; L259-L263 HydrophobicContact CD1-CG 4.12Å; L259-L263 HydrophobicContact CG-CD1 3.98Å; L259-L263 HydrophobicContact CG-CG 4.39Å; L259-L263 WeakPolarHBondContact O-CG 3.45Å; L259-L263 PolarHBondContact O-N 3.26Å; R260-L263 PolarHBondContact O-N 2.83Å; R261-L263 PolarHBondContact O-N 3.15Å; L263-A265 PolarHBondContact O-N 2.88Å; L263-K266 PolarHBondContact O-N 2.83Å; L263-K266 VanDerWaalsContact O-N 3.15Å; L263-Y267 HydrophobicContact CD2-CD2 4.11Å; L263-Y267 HydrophobicContact CD2-CE2 4.04Å; L263-Y267 PolarHBondContact O-N 2.76Å; L263-V272 HydrophobicContact CB-CG1 4.49Å; L263-V272 HydrophobicContact CB-CG2 3.76Å; L263-L275 HydrophobicContact CD1-CD2 3.75Å; L263-L314 HydrophobicContact CD2-CD2 4.31Å
264L95Very high93.9Very high57 Ų5764.2 Ų64.230%0.29831%0.311SS..Hα-helixtrans-59.9-45.6177.1-76.4167.8000111.5R260 R261 K266 G268 Y269 V272R260-L264 HydrophobicContact CG-CD1 4.07Å; R260-L264 HydrophobicContact CG-CG 4.41Å; R260-L264 WeakPolarHBondContact O-CB 3.42Å; R260-L264 VanDerWaalsContact O-CG 3.28Å; R260-L264 WeakPolarHBondContact O-CG 3.31Å; R260-L264 PolarHBondContact O-N 2.79Å; R261-L264 PolarHBondContact O-N 3.45Å; L264-K266 PolarHBondContact O-N 2.89Å; L264-G268 WeakPolarHBondContact O-CA 3.32Å; L264-G268 PolarHBondContact O-N 3.32Å; L264-Y269 HydrophobicContact CD2-CD2 4.38Å; L264-V272 HydrophobicContact CD2-CB 3.77Å; L264-V272 HydrophobicContact CD2-CG1 3.97Å; L264-V272 HydrophobicContact CD2-CG2 4.05Å; L264-V272 HydrophobicContact CG-CB 4.29Å; L264-V272 HydrophobicContact CG-CG1 4.08Å; L264-V272 HydrophobicContact CG-CG2 4.28Å
265A95.6Very high94.2Very high89 Ų8962.7 Ų62.774%0.73631%0.306SS*.Hα-helixtrans-61.4-30177.800000112.9R261 L263R261-A265 PolarHBondContact O-N 3.36Å; L263-A265 PolarHBondContact O-N 2.88Å
266K96.4Very high94.4Very high119 Ų11960.9 Ų60.952%0.51729%0.293SS..Hα-helixtrans-92.8-38.1-176.1-174175.7175.3-168.20114Y184 Q262 L263 L264Y184-K266 PolarHBondContact OH-NZ 3.16Å; Q262-K266 PolarHBondContact O-N 3.2Å; L263-K266 PolarHBondContact O-N 2.83Å; L263-K266 VanDerWaalsContact O-N 3.15Å; L264-K266 PolarHBondContact O-N 2.89Å
267Y96.1Very high94.3Very high58 Ų5863.1 Ų63.123%0.22730%0.303CS..Hα-helixtrans-116.1-9.3-169.6-66-73.3000114.2Y184 L263 K271 L314Y184-Y267 AromaticContact CE2-CE2 3.9Å; Y184-Y267 HydrophobicContact CE2-CE2 3.9Å; Y184-Y267 AromaticContact CE2-CZ 3.98Å; Y184-Y267 WeakPolarHBondContact CE2-OH 3.43Å; Y184-Y267 AromaticContact CZ-CE2 3.98Å; L263-Y267 HydrophobicContact CD2-CD2 4.11Å; L263-Y267 HydrophobicContact CD2-CE2 4.04Å; L263-Y267 PolarHBondContact O-N 2.76Å; Y267-K271 HydrophobicContact CD1-CD 4.32Å; Y267-L314 HydrophobicContact CD1-CD1 3.91Å; Y267-L314 HydrophobicContact CD2-CD1 3.91Å; Y267-L314 HydrophobicContact CD2-CD2 4.24Å; Y267-L314 HydrophobicContact CE1-CD1 4.22Å; Y267-L314 HydrophobicContact CE2-CD1 4.23Å; Y267-L314 HydrophobicContact CE2-CD2 3.93Å; Y267-L314 HydrophobicContact CG-CD1 3.75Å
268G93.1Very high94.5Very high32 Ų3265.5 Ų65.533%0.3331%0.311SS..Hα-helixtrans77.6174.2-174.600000113.3L264 V272L264-G268 WeakPolarHBondContact O-CA 3.32Å; L264-G268 PolarHBondContact O-N 3.32Å; G268-V272 WeakPolarHBondContact O-CG2 3.38Å
269Y92.5Very high94.8Very high121 Ų12159.7 Ų59.748%0.47529%0.29SS..Hα-helixtrans-63.3-50-173.2177.2-97.2000113.4L264 K271 V272 A273 E382L264-Y269 HydrophobicContact CD2-CD2 4.38Å; Y269-K271 PolarHBondContact O-N 3.24Å; Y269-V272 PolarHBondContact O-N 3.12Å; Y269-A273 HydrophobicContact CE1-CB 4.18Å; Y269-A273 WeakPolarHBondContact O-CB 3.48Å; Y269-A273 PolarHBondContact O-N 3.33Å; Y269-E382 PolarHBondContact OH-OE1 3.22Å
270Q92.9Very high94.9Very high164 Ų16459.8 Ų59.877%0.76629%0.29SS*.Hα-helixtrans-57.7-51.7-171.4-70.1178.2-15.600112.7V272 A273 E274Q270-V272 VanDerWaalsContact C-N 3.31Å; Q270-V272 PolarHBondContact O-N 2.76Å; Q270-A273 PolarHBondContact O-N 3.04Å; Q270-E274 PolarHBondContact O-N 3.22Å
271K94.5Very high94.9Very high118 Ų11859.5 Ų59.551%0.51329%0.29SS..Hα-helixtrans-63.5-36.2-179.9-71.6-171.8173.6-175.20113Y267 Y269 L275 L314Y267-K271 HydrophobicContact CD1-CD 4.32Å; Y269-K271 PolarHBondContact O-N 3.24Å; K271-L275 PolarHBondContact O-N 2.87Å; K271-L314 HydrophobicContact CB-CD1 4.13Å
272V94.6Very high95.1Very high0 Ų052.4 Ų52.40%026%0.263CS..Hα-helixtrans-73.7-40.5178179.40000110.6R260 L263 L264 G268 Y269 Q270 E274 L275 F276R260-V272 HydrophobicContact CG-CG1 4.04Å; L263-V272 HydrophobicContact CB-CG1 4.49Å; L263-V272 HydrophobicContact CB-CG2 3.76Å; L264-V272 HydrophobicContact CD2-CB 3.77Å; L264-V272 HydrophobicContact CD2-CG1 3.97Å; L264-V272 HydrophobicContact CD2-CG2 4.05Å; L264-V272 HydrophobicContact CG-CB 4.29Å; L264-V272 HydrophobicContact CG-CG1 4.08Å; L264-V272 HydrophobicContact CG-CG2 4.28Å; G268-V272 WeakPolarHBondContact O-CG2 3.38Å; Y269-V272 PolarHBondContact O-N 3.12Å; Q270-V272 VanDerWaalsContact C-N 3.31Å; Q270-V272 PolarHBondContact O-N 2.76Å; V272-E274 VanDerWaalsContact C-N 3.29Å; V272-E274 PolarHBondContact O-N 2.9Å; V272-L275 PolarHBondContact O-N 3.43Å; V272-F276 HydrophobicContact CG1-CD2 3.7Å; V272-F276 HydrophobicContact CG1-CE2 3.71Å; V272-F276 VanDerWaalsContact O-CD2 3.31Å; V272-F276 WeakPolarHBondContact O-CD2 3.06Å; V272-F276 PolarHBondContact O-N 2.88Å
273A92Very high95.3Very high14 Ų1448.1 Ų48.112%0.11624%0.243CC..Hα-helixtrans-58.5-43.2173.700000111.2Y269 Q270 F276 H277Y269-A273 HydrophobicContact CE1-CB 4.18Å; Y269-A273 WeakPolarHBondContact O-CB 3.48Å; Y269-A273 PolarHBondContact O-N 3.33Å; Q270-A273 PolarHBondContact O-N 3.04Å; A273-F276 PolarHBondContact O-N 3Å; A273-H277 VanDerWaalsContact O-CB 3.31Å; A273-H277 WeakPolarHBondContact O-CB 3.21Å; A273-H277 PolarHBondContact O-N 2.9Å
274E94.2Very high95.4Very high111 Ų11148.1 Ų48.152%0.51924%0.243SC..Hα-helixtrans-61.5-47.5174.9-172.6-177.7177.500112.4Q270 V272 F276 H277 Q278Q270-E274 PolarHBondContact O-N 3.22Å; V272-E274 VanDerWaalsContact C-N 3.29Å; V272-E274 PolarHBondContact O-N 2.9Å; E274-F276 PolarHBondContact O-N 3.29Å; E274-H277 WeakPolarHBondContact O-CB 3.33Å; E274-H277 PolarHBondContact O-N 2.89Å; E274-Q278 WeakPolarHBondContact O-CG 3.3Å; E274-Q278 PolarHBondContact O-N 2.97Å; E274-Q278 PolarHBondContact OE1-NE2 2.78Å
275L96.5Very high95.5Very high3 Ų345.4 Ų45.42%0.01623%0.229CC..Hα-helixtrans-54.7-50175.8162.364.1000111.8L263 K271 V272 H277 Q278 V279 I310 L314 P316L263-L275 HydrophobicContact CD1-CD2 3.75Å; K271-L275 PolarHBondContact O-N 2.87Å; V272-L275 PolarHBondContact O-N 3.43Å; L275-H277 VanDerWaalsContact C-N 3.33Å; L275-Q278 PolarHBondContact O-N 2.95Å; L275-V279 WeakPolarHBondContact O-CG2 3.29Å; L275-V279 PolarHBondContact O-N 2.65Å; L275-I310 HydrophobicContact CD1-CD1 4.12Å; L275-I310 HydrophobicContact CD1-CG1 4.03Å; L275-I310 HydrophobicContact CD1-CG2 4.19Å; L275-I310 HydrophobicContact CD2-CD1 3.93Å; L275-L314 VanDerWaalsContact CD1-O 3.25Å; L275-L314 WeakPolarHBondContact CD1-O 3.42Å; L275-P316 HydrophobicContact CD1-CB 4.16Å; L275-P316 HydrophobicContact CD1-CG 4.21Å
276F96Very high95.6Very high5 Ų541.1 Ų41.12%0.02219%0.194CC..Hα-helixtrans-71.6-29.5-178.6-80.4-89000112.1I256 R260 V272 A273 E274 V279 D280 L419I256-F276 HydrophobicContact CG2-CE1 3.87Å; I256-F276 HydrophobicContact CG2-CZ 4.07Å; R260-F276 HydrophobicContact CB-CE2 4.1Å; R260-F276 HydrophobicContact CB-CZ 3.95Å; R260-F276 HydrophobicContact CG-CD2 4.5Å; R260-F276 HydrophobicContact CG-CE2 3.72Å; R260-F276 HydrophobicContact CG-CZ 4Å; V272-F276 HydrophobicContact CG1-CD2 3.7Å; V272-F276 HydrophobicContact CG1-CE2 3.71Å; V272-F276 VanDerWaalsContact O-CD2 3.31Å; V272-F276 WeakPolarHBondContact O-CD2 3.06Å; V272-F276 PolarHBondContact O-N 2.88Å; A273-F276 PolarHBondContact O-N 3Å; E274-F276 PolarHBondContact O-N 3.29Å; F276-V279 WeakPolarHBondContact O-CB 3.2Å; F276-V279 PolarHBondContact O-N 2.69Å; F276-D280 PolarHBondContact O-N 3.36Å; F276-L419 HydrophobicContact CD1-CB 4.05Å; F276-L419 HydrophobicContact CD1-CD2 3.9Å; F276-L419 HydrophobicContact CD1-CG 3.92Å; F276-L419 WeakPolarHBondContact CD1-O 3.19Å; F276-L419 HydrophobicContact CE1-CB 4.36Å; F276-L419 HydrophobicContact CE1-CD2 4.06Å; F276-L419 HydrophobicContact CE1-CG 3.85Å; F276-L419 WeakPolarHBondContact CE1-O 3.29Å
277H94.1Very high95.7Very high47 Ų4735.5 Ų35.522%0.21817%0.169CC..Hα-helixtrans-64.9-40169.9-179.658000112.2A273 E274 L275 V279 D280 V281 L412 P413A273-H277 VanDerWaalsContact O-CB 3.31Å; A273-H277 WeakPolarHBondContact O-CB 3.21Å; A273-H277 PolarHBondContact O-N 2.9Å; E274-H277 WeakPolarHBondContact O-CB 3.33Å; E274-H277 PolarHBondContact O-N 2.89Å; L275-H277 VanDerWaalsContact C-N 3.33Å; H277-V279 PolarHBondContact O-N 3.02Å; H277-D280 WeakPolarHBondContact O-CB 3.38Å; H277-D280 PolarHBondContact O-N 2.82Å; H277-D280 VanDerWaalsContact O-N 3.09Å; H277-V281 PolarHBondContact O-N 2.83Å; H277-L412 PolarHBondContact CE1-O 3.06Å; H277-L412 PolarHBondContact NE2-O 3.45Å; H277-L412 VanDerWaalsContact NE2-O 3.12Å; H277-P413 PolarHBondContact CE1-O 2.79Å
278Q95.9Very high95.7Very high59 Ų5933.9 Ų33.928%0.27616%0.164SC..Hα-helixtrans-65.3-28.2172.6-68.7176.87.100112.3E274 L275 V281 I282 P316E274-Q278 WeakPolarHBondContact O-CG 3.3Å; E274-Q278 PolarHBondContact O-N 2.97Å; E274-Q278 PolarHBondContact OE1-NE2 2.78Å; L275-Q278 PolarHBondContact O-N 2.95Å; Q278-V281 WeakPolarHBondContact O-CB 3.36Å; Q278-V281 PolarHBondContact O-N 3.14Å; Q278-I282 WeakPolarHBondContact O-CG1 3.13Å; Q278-I282 PolarHBondContact O-N 2.84Å; Q278-I282 VanDerWaalsContact O-N 3.16Å; Q278-P316 HydrophobicContact CB-CG 3.49Å; Q278-P316 VanDerWaalsContact CB-CG 3.49Å
279V98.1Very high95.9Very high2 Ų232.6 Ų32.61%0.01215%0.15CC..Hα-helixtrans-68.3-39.4170170.90000111.3L275 F276 H277 V281 I282 F283 I308 P316 L419L275-V279 WeakPolarHBondContact O-CG2 3.29Å; L275-V279 PolarHBondContact O-N 2.65Å; F276-V279 WeakPolarHBondContact O-CB 3.2Å; F276-V279 PolarHBondContact O-N 2.69Å; H277-V279 PolarHBondContact O-N 3.02Å; V279-V281 VanDerWaalsContact C-N 3.31Å; V279-V281 PolarHBondContact O-N 2.95Å; V279-I282 VanDerWaalsContact O-CB 3.31Å; V279-I282 WeakPolarHBondContact O-CB 3.35Å; V279-I282 PolarHBondContact O-N 2.94Å; V279-I282 VanDerWaalsContact O-N 3.11Å; V279-F283 HydrophobicContact CG1-CD2 4.46Å; V279-F283 HydrophobicContact CG1-CE1 3.88Å; V279-F283 HydrophobicContact CG1-CE2 3.65Å; V279-F283 HydrophobicContact CG1-CZ 3.31Å; V279-F283 WeakPolarHBondContact O-CG 3.46Å; V279-F283 PolarHBondContact O-N 3.42Å; V279-F283 VanDerWaalsContact O-N 3.17Å; V279-I308 HydrophobicContact CG1-CD1 3.7Å; V279-I308 HydrophobicContact CG2-CD1 4.36Å; V279-P316 HydrophobicContact CG2-CB 3.72Å; V279-P316 HydrophobicContact CG2-CG 3.96Å; V279-L419 HydrophobicContact CG1-CD2 3.8Å
280D96.7Very high96.1Very high1 Ų126.8 Ų26.81%0.00513%0.128CC..Hα-helixtrans-62.4-39173.4-61.5-35.5000111.7F276 H277 I282 F283 I284 L412 R414 L415 S417F276-D280 PolarHBondContact O-N 3.36Å; H277-D280 WeakPolarHBondContact O-CB 3.38Å; H277-D280 PolarHBondContact O-N 2.82Å; H277-D280 VanDerWaalsContact O-N 3.09Å; D280-I282 VanDerWaalsContact C-N 3.28Å; D280-I282 PolarHBondContact O-N 3.31Å; D280-F283 PolarHBondContact O-N 2.7Å; D280-F283 VanDerWaalsContact O-N 3.14Å; D280-I284 PolarHBondContact O-N 2.71Å; D280-L412 HydrophobicContact CB-CD2 4.4Å; D280-R414 IonicContact OD2-NH1 3.74Å; D280-L415 HydrophobicContact CB-CD1 4.12Å; D280-S417 WeakPolarHBondContact OD1-CB 3.35Å; D280-S417 PolarHBondContact OD1-OG 3.05Å; D280-S417 WeakPolarHBondContact OD2-CB 3.43Å
281V95.9Very high96.3Very high10 Ų1021.2 Ų21.26%0.06110%0.102CC..Hα-helixtrans-57.6-40.31721700000111.6I96 F99 H277 Q278 V279 G285 F407 L412I96-V281 HydrophobicContact CD1-CG1 4.48Å; I96-V281 HydrophobicContact CG1-CG1 3.82Å; F99-V281 HydrophobicContact CD1-CG1 4.09Å; F99-V281 HydrophobicContact CE1-CG1 4.21Å; H277-V281 PolarHBondContact O-N 2.83Å; Q278-V281 WeakPolarHBondContact O-CB 3.36Å; Q278-V281 PolarHBondContact O-N 3.14Å; V279-V281 VanDerWaalsContact C-N 3.31Å; V279-V281 PolarHBondContact O-N 2.95Å; V281-G285 WeakPolarHBondContact O-CA 3.31Å; V281-G285 PolarHBondContact O-N 3.14Å; V281-F407 HydrophobicContact CG1-CE1 3.94Å; V281-F407 HydrophobicContact CG1-CZ 4.42Å; V281-F407 HydrophobicContact CG2-CE1 4.36Å; V281-L412 HydrophobicContact CB-CD2 4.34Å; V281-L412 HydrophobicContact CG2-CB 3.96Å; V281-L412 HydrophobicContact CG2-CD2 3.64Å; V281-L412 HydrophobicContact CG2-CG 4.47Å
282I98.2Very high96.3Very high0 Ų024.7 Ų24.70%012%0.117CC..Hα-helixtrans-59.7-47.9174.9-71.6168.7000110.5F99 Q278 V279 D280 S286 Y306 I308 P316 L318F99-I282 HydrophobicContact CB-CD1 4.15Å; F99-I282 HydrophobicContact CB-CG1 3.64Å; F99-I282 HydrophobicContact CD1-CG1 4.07Å; F99-I282 HydrophobicContact CD2-CB 4.41Å; F99-I282 HydrophobicContact CD2-CG1 3.76Å; F99-I282 HydrophobicContact CD2-CG2 4.42Å; F99-I282 HydrophobicContact CE2-CG1 4.43Å; F99-I282 HydrophobicContact CE2-CG2 4.49Å; F99-I282 HydrophobicContact CG-CG1 3.57Å; Q278-I282 WeakPolarHBondContact O-CG1 3.13Å; Q278-I282 PolarHBondContact O-N 2.84Å; Q278-I282 VanDerWaalsContact O-N 3.16Å; V279-I282 VanDerWaalsContact O-CB 3.31Å; V279-I282 WeakPolarHBondContact O-CB 3.35Å; V279-I282 PolarHBondContact O-N 2.94Å; V279-I282 VanDerWaalsContact O-N 3.11Å; D280-I282 VanDerWaalsContact C-N 3.28Å; D280-I282 PolarHBondContact O-N 3.31Å; I282-S286 VanDerWaalsContact O-CB 3.27Å; I282-S286 WeakPolarHBondContact O-CB 3.16Å; I282-S286 PolarHBondContact O-N 3.12Å; I282-S286 PolarHBondContact O-OG 2.89Å; I282-Y306 HydrophobicContact CG2-CD1 4.14Å; I282-Y306 HydrophobicContact CG2-CE1 4.24Å; I282-I308 HydrophobicContact CD1-CD1 4.24Å; I282-I308 HydrophobicContact CD1-CG2 4.3Å; I282-I308 HydrophobicContact CG2-CD1 4.28Å; I282-P316 HydrophobicContact CD1-CB 3.71Å; I282-P316 HydrophobicContact CD1-CG 3.88Å; I282-L318 HydrophobicContact CG2-CB 3.89Å; I282-L318 HydrophobicContact CG2-CD1 3.86Å; I282-L318 HydrophobicContact CG2-CD2 4.11Å; I282-L318 HydrophobicContact CG2-CG 4.16Å
283F98.2Very high96.4Very high0 Ų026.5 Ų26.50%013%0.126CC..Hα-helixtrans-62.5-48.9-178.4-56.7-31.6000112.2V195 V197 V209 V279 D280 S286 L287 Y306 I308 I368 L419V195-F283 HydrophobicContact CB-CZ 4.39Å; V195-F283 HydrophobicContact CG2-CE1 3.62Å; V195-F283 HydrophobicContact CG2-CZ 3.53Å; V197-F283 HydrophobicContact CG2-CD1 3.64Å; V197-F283 HydrophobicContact CG2-CD2 4.18Å; V197-F283 HydrophobicContact CG2-CE1 3.74Å; V197-F283 HydrophobicContact CG2-CE2 4.26Å; V197-F283 HydrophobicContact CG2-CG 3.87Å; V197-F283 HydrophobicContact CG2-CZ 4.04Å; V209-F283 HydrophobicContact CG1-CE2 4Å; V209-F283 HydrophobicContact CG2-CD2 3.67Å; V209-F283 HydrophobicContact CG2-CE2 3.82Å; V279-F283 HydrophobicContact CG1-CD2 4.46Å; V279-F283 HydrophobicContact CG1-CE1 3.88Å; V279-F283 HydrophobicContact CG1-CE2 3.65Å; V279-F283 HydrophobicContact CG1-CZ 3.31Å; V279-F283 WeakPolarHBondContact O-CG 3.46Å; V279-F283 PolarHBondContact O-N 3.42Å; V279-F283 VanDerWaalsContact O-N 3.17Å; D280-F283 PolarHBondContact O-N 2.7Å; D280-F283 VanDerWaalsContact O-N 3.14Å; F283-S286 PolarHBondContact O-OG 2.79Å; F283-L287 WeakPolarHBondContact O-CB 3.42Å; F283-L287 WeakPolarHBondContact O-CD1 3.28Å; F283-L287 WeakPolarHBondContact O-CG 3.37Å; F283-L287 PolarHBondContact O-N 2.87Å; F283-Y306 AromaticContact CD1-CD1 3.64Å; F283-Y306 HydrophobicContact CD1-CD1 3.64Å; F283-Y306 HydrophobicContact CD1-CD2 4.31Å; F283-Y306 AromaticContact CD1-CE1 3.76Å; F283-Y306 HydrophobicContact CD1-CE1 3.76Å; F283-Y306 HydrophobicContact CD1-CE2 4.42Å; F283-Y306 AromaticContact CD1-CG 3.94Å; F283-Y306 HydrophobicContact CD1-CG 3.94Å; F283-Y306 AromaticContact CE1-CD1 3.87Å; F283-Y306 HydrophobicContact CE1-CD1 3.87Å; F283-Y306 HydrophobicContact CE1-CD2 4.35Å; F283-Y306 HydrophobicContact CE1-CE1 4.44Å; F283-Y306 AromaticContact CE1-CG 3.83Å; F283-Y306 HydrophobicContact CE1-CG 3.83Å; F283-I308 HydrophobicContact CE1-CD1 3.91Å; F283-I308 HydrophobicContact CZ-CD1 4.45Å; F283-I368 HydrophobicContact CB-CD1 4.47Å; F283-I368 HydrophobicContact CD2-CD1 4.41Å; F283-L419 HydrophobicContact CE2-CD2 4.18Å; F283-L419 HydrophobicContact CZ-CD2 4.07Å
284I97.3Very high96.6Very high0 Ų026.3 Ų26.30%012%0.123CC..Hα-helixtrans-71.5-44.3-177.7-61.6-51000110.7D280 S286 L287 L288 I368 W369 V406 F407 L412 L415D280-I284 PolarHBondContact O-N 2.71Å; I284-S286 PolarHBondContact O-N 2.8Å; I284-L287 PolarHBondContact O-N 2.86Å; I284-L288 HydrophobicContact CG2-CD1 3.62Å; I284-L288 HydrophobicContact CG2-CG 4.03Å; I284-L288 WeakPolarHBondContact O-CB 3.37Å; I284-L288 VanDerWaalsContact O-CG 3.26Å; I284-L288 WeakPolarHBondContact O-CG 3.39Å; I284-L288 PolarHBondContact O-N 2.9Å; I284-I368 HydrophobicContact CD1-CD1 3.69Å; I284-I368 HydrophobicContact CD1-CG1 4.31Å; I284-I368 HydrophobicContact CG1-CD1 4.29Å; I284-W369 HydrophobicContact CD1-CB 3.85Å; I284-W369 HydrophobicContact CD1-CD2 3.95Å; I284-W369 HydrophobicContact CD1-CE3 3.64Å; I284-W369 HydrophobicContact CD1-CG 4.05Å; I284-W369 HydrophobicContact CG1-CE3 3.95Å; I284-W369 HydrophobicContact CG1-CZ3 4.5Å; I284-W369 HydrophobicContact CG2-CD2 4.45Å; I284-W369 HydrophobicContact CG2-CE3 3.87Å; I284-W369 HydrophobicContact CG2-CH2 4.36Å; I284-W369 HydrophobicContact CG2-CZ3 3.82Å; I284-V406 HydrophobicContact CG2-CG1 3.85Å; I284-F407 HydrophobicContact CB-CZ 4.45Å; I284-F407 HydrophobicContact CG2-CZ 4.15Å; I284-L412 HydrophobicContact CG1-CD2 4.41Å; I284-L412 HydrophobicContact CG2-CD1 4.3Å; I284-L415 HydrophobicContact CD1-CD1 4.27Å; I284-L415 HydrophobicContact CG1-CD1 3.77Å
285G96.3Very high96.6Very high0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-62.3-41.1-18000000112.8L81 V281 S289L81-G285 VanDerWaalsContact CD2-O 3.22Å; L81-G285 WeakPolarHBondContact CD2-O 3.49Å; V281-G285 WeakPolarHBondContact O-CA 3.31Å; V281-G285 PolarHBondContact O-N 3.14Å; G285-S289 PolarHBondContact O-N 3.31Å
286S98Very high96.4Very high0 Ų027.2 Ų27.20%013%0.13CC..Hα-helixtrans-66.4-44.5176.3650000112L68 I282 F283 I284 S289 Y306L68-S286 WeakPolarHBondContact CD1-O 3.43Å; I282-S286 VanDerWaalsContact O-CB 3.27Å; I282-S286 WeakPolarHBondContact O-CB 3.16Å; I282-S286 PolarHBondContact O-N 3.12Å; I282-S286 PolarHBondContact O-OG 2.89Å; F283-S286 PolarHBondContact O-OG 2.79Å; I284-S286 PolarHBondContact O-N 2.8Å; S286-S289 WeakPolarHBondContact O-CB 3.37Å; S286-S289 PolarHBondContact O-N 3.15Å; S286-S289 PolarHBondContact O-OG 2.84Å; S286-Y306 WeakPolarHBondContact OG-CE1 3.34Å; S286-Y306 PolarHBondContact OG-OH 3.18Å
287L98.3Very high96.2Very high0 Ų028.3 Ų28.30%014%0.137CC..Hα-helixtrans-68.9-42.3-178.9-69171.9000112.5L68 V197 V199 F202 L205 V207 F283 I284 S289 V290 Q291 Y304L68-L287 HydrophobicContact CD2-CD2 3.74Å; V197-L287 HydrophobicContact CG1-CD1 4.22Å; V199-L287 HydrophobicContact CG2-CD1 3.85Å; V199-L287 HydrophobicContact CG2-CD2 3.72Å; V199-L287 HydrophobicContact CG2-CG 4.47Å; F202-L287 HydrophobicContact CE1-CD2 4.01Å; F202-L287 HydrophobicContact CZ-CD2 3.98Å; L205-L287 HydrophobicContact CD2-CB 4.27Å; V207-L287 HydrophobicContact CB-CD1 4.22Å; V207-L287 HydrophobicContact CG1-CD1 3.54Å; V207-L287 HydrophobicContact CG2-CD1 3.55Å; F283-L287 WeakPolarHBondContact O-CB 3.42Å; F283-L287 WeakPolarHBondContact O-CD1 3.28Å; F283-L287 WeakPolarHBondContact O-CG 3.37Å; F283-L287 PolarHBondContact O-N 2.87Å; I284-L287 PolarHBondContact O-N 2.86Å; L287-S289 PolarHBondContact O-N 2.9Å; L287-V290 VanDerWaalsContact O-CG2 3.26Å; L287-V290 WeakPolarHBondContact O-CG2 3.43Å; L287-V290 PolarHBondContact O-N 3.34Å; L287-V290 VanDerWaalsContact O-N 3.17Å; L287-Q291 PolarHBondContact O-N 2.9Å; L287-Y304 HydrophobicContact CD2-CD2 4.45Å; L287-Y304 HydrophobicContact CD2-CE2 4.1Å
288L96.4Very high96.2Very high24 Ų2434.3 Ų34.313%0.12616%0.162CC..Hα-helixtrans-61.7-29174.3-70.9178000112.4L81 L205 I284 V290 V406 F407L81-L288 HydrophobicContact CD2-CB 4.31Å; L205-L288 HydrophobicContact CD2-CD2 3.89Å; L205-L288 HydrophobicContact CD2-CG 4.49Å; I284-L288 HydrophobicContact CG2-CD1 3.62Å; I284-L288 HydrophobicContact CG2-CG 4.03Å; I284-L288 WeakPolarHBondContact O-CB 3.37Å; I284-L288 VanDerWaalsContact O-CG 3.26Å; I284-L288 WeakPolarHBondContact O-CG 3.39Å; I284-L288 PolarHBondContact O-N 2.9Å; L288-V290 PolarHBondContact O-N 3.47Å; L288-V406 HydrophobicContact CD1-CB 4.25Å; L288-V406 HydrophobicContact CD1-CG1 3.93Å; L288-V406 HydrophobicContact CD1-CG2 4.29Å; L288-F407 HydrophobicContact CD1-CE2 3.98Å
289S96.9Very high96Very high5 Ų534.9 Ų34.94%0.03516%0.162CC..Hα-helixtrans-65.8-24.6179.1830000113.6R80 G285 S286 L287R80-S289 PolarHBondContact NH2-O 3.12Å; G285-S289 PolarHBondContact O-N 3.31Å; S286-S289 WeakPolarHBondContact O-CB 3.37Å; S286-S289 PolarHBondContact O-N 3.15Å; S286-S289 PolarHBondContact O-OG 2.84Å; L287-S289 PolarHBondContact O-N 2.9Å
290V97.6Very high95.9Very high0 Ų034.8 Ų34.80%016%0.161CC..Hα-helixtrans-116.2-8.5-176.2-63.70000113.9E67 L68 N77 F202 L287 L288 K292 I293 I294E67-V290 HydrophobicContact CB-CG1 4.19Å; L68-V290 HydrophobicContact CB-CG1 4.19Å; L68-V290 HydrophobicContact CB-CG2 4.22Å; L68-V290 HydrophobicContact CD1-CG1 4.06Å; L68-V290 HydrophobicContact CD1-CG2 3.94Å; L68-V290 HydrophobicContact CD2-CG2 4.34Å; L68-V290 HydrophobicContact CG-CG2 4.4Å; N77-V290 HydrophobicContact CB-CG1 4.04Å; F202-V290 HydrophobicContact CE1-CG2 4.17Å; L287-V290 VanDerWaalsContact O-CG2 3.26Å; L287-V290 WeakPolarHBondContact O-CG2 3.43Å; L287-V290 PolarHBondContact O-N 3.34Å; L287-V290 VanDerWaalsContact O-N 3.17Å; L288-V290 PolarHBondContact O-N 3.47Å; V290-K292 PolarHBondContact O-N 3.49Å; V290-K292 VanDerWaalsContact O-N 3.08Å; V290-I293 HydrophobicContact CG1-CD1 4.49Å; V290-I293 PolarHBondContact O-N 2.98Å; V290-I294 HydrophobicContact CB-CD1 3.92Å; V290-I294 HydrophobicContact CB-CG1 4.17Å; V290-I294 HydrophobicContact CG2-CD1 3.52Å; V290-I294 HydrophobicContact CG2-CG1 4.3Å; V290-I294 PolarHBondContact O-N 3.16Å
291Q96.4Very high95.9Very high47 Ų4734.8 Ų34.822%0.2216%0.161CC..THydrogen-bonded Turntrans-49.9-40.9-174.7-172.9-1721.200113.5F202 L205 L287F202-Q291 HydrophobicContact CD1-CG 4.46Å; F202-Q291 WeakPolarHBondContact O-CG 3.18Å; F202-Q291 PolarHBondContact O-NE2 3.45Å; L205-Q291 HydrophobicContact CB-CG 4.42Å; L287-Q291 PolarHBondContact O-N 2.9Å
292K95Very high96Very high190 Ų19034.3 Ų34.383%0.82616%0.158SC*.THydrogen-bonded Turntrans-83-8.4-179.8-60.3-168.3178.9-166.40114.8V290V290-K292 PolarHBondContact O-N 3.49Å; V290-K292 VanDerWaalsContact O-N 3.08Å
293I96.4Very high95.9Very high39 Ų3934.4 Ų34.420%0.216%0.159CC..THydrogen-bonded Turntrans-102.9-35.9-177.5-41170.7000111.2N64 E67 N77 V290 I295N64-I293 PolarHBondContact ND2-O 2.92Å; E67-I293 HydrophobicContact CG-CG2 3.78Å; N77-I293 VanDerWaalsContact CG-CD1 3.45Å; N77-I293 WeakPolarHBondContact OD1-CD1 3.4Å; V290-I293 HydrophobicContact CG1-CD1 4.49Å; V290-I293 PolarHBondContact O-N 2.98Å; I293-I295 PolarHBondContact O-N 3.06Å
294I95.7Very high95.9Very high9 Ų934.4 Ų34.45%0.04616%0.159CC..SBendtrans-67.1128.9177.6-70.5175.9000108.5F62 F202 V290 N296F62-I294 HydrophobicContact CB-CG2 3.58Å; F62-I294 HydrophobicContact CD1-CG2 4.35Å; F62-I294 HydrophobicContact CG-CG2 4Å; F202-I294 HydrophobicContact CB-CG2 4.38Å; F202-I294 HydrophobicContact CD1-CB 4.35Å; F202-I294 HydrophobicContact CD1-CD1 4.21Å; F202-I294 HydrophobicContact CD1-CG2 4.48Å; F202-I294 HydrophobicContact CD2-CB 4.17Å; F202-I294 HydrophobicContact CD2-CD1 4.26Å; F202-I294 HydrophobicContact CD2-CG2 3.44Å; F202-I294 VanDerWaalsContact CD2-CG2 3.44Å; F202-I294 HydrophobicContact CE1-CD1 3.58Å; F202-I294 HydrophobicContact CE2-CB 4.38Å; F202-I294 HydrophobicContact CE2-CD1 3.62Å; F202-I294 HydrophobicContact CE2-CG2 3.75Å; F202-I294 HydrophobicContact CG-CB 4.15Å; F202-I294 HydrophobicContact CG-CG2 3.84Å; F202-I294 HydrophobicContact CZ-CD1 3.24Å; F202-I294 HydrophobicContact CZ-CG1 4.45Å; F202-I294 HydrophobicContact CZ-CG2 4.4Å; V290-I294 HydrophobicContact CB-CD1 3.92Å; V290-I294 HydrophobicContact CB-CG1 4.17Å; V290-I294 HydrophobicContact CG2-CD1 3.52Å; V290-I294 HydrophobicContact CG2-CG1 4.3Å; V290-I294 PolarHBondContact O-N 3.16Å; I294-N296 PolarHBondContact O-N 2.79Å
295I94.1Very high95.9Very high84 Ų8434.4 Ų34.443%0.43116%0.159SC..BIsolated β-bridgetrans-83.6106.5179.1-65.9167.5000106.9R63 I293R63-I295 HydrophobicContact CB-CB 4.1Å; R63-I295 VanDerWaalsContact CD-CD1 3.43Å; R63-I295 HydrophobicContact CG-CB 4.39Å; R63-I295 HydrophobicContact CG-CD1 4.04Å; R63-I295 PolarHBondContact O-N 2.81Å; I293-I295 PolarHBondContact O-N 3.06Å
296N93.2Very high96Very high49 Ų4934.4 Ų34.426%0.26216%0.159SC..  trans-73.1134.4-179.4-170.166.8000111.3F202 N203 I294F202-N296 HydrophobicContact CB-CB 4.26Å; F202-N296 PolarHBondContact N-OD1 2.77Å; N203-N296 HydrophobicContact CB-CB 3.99Å; N203-N296 PolarHBondContact N-OD1 2.82Å; N203-N296 PolarHBondContact O-ND2 3.15Å; I294-N296 PolarHBondContact O-N 2.79Å
297D92.4Very high96Very high29 Ų2934.6 Ų34.616%0.15516%0.16CC..  trans-134.5134.2165.4-172.9-51.9000107.5R299 C300D297-R299 PolarHBondContact O-N 3.22Å; D297-R299 VanDerWaalsContact O-N 3.12Å; D297-R299 VanDerWaalsContact OD1-CB 3.28Å; D297-R299 WeakPolarHBondContact OD1-CB 3.45Å; D297-R299 WeakPolarHBondContact OD1-CG 3.3Å; D297-R299 IonicContact OD1-CZ 3.64Å; D297-R299 PolarHBondContact OD1-N 3.05Å; D297-R299 IonicContact OD1-NE 2.71Å; D297-R299 PolarHBondContact OD1-NE 3.11Å; D297-R299 IonicContact OD1-NH2 2.69Å; D297-R299 IonicContact OD2-CZ 3.3Å; D297-R299 IonicContact OD2-NE 3.36Å; D297-R299 PolarHBondContact OD2-NE 3.13Å; D297-R299 IonicContact OD2-NH2 3.82Å; D297-R299 PolarHBondContact OD2-NH2 2.82Å; D297-C300 HydrophobicContact CB-CB 4.46Å; D297-C300 WeakPolarHBondContact O-CB 3.47Å; D297-C300 PolarHBondContact O-N 2.53Å
298K92.6Very high96Very high173 Ų17334.6 Ų34.675%0.75216%0.16SC*.THydrogen-bonded Turntrans-59.9-21.9-178.465.3179-177.7175.70114.1K58 C300K58-K298 PolarHBondContact NZ-O 2.83Å; K298-C300 VanDerWaalsContact C-N 3.33Å
299R93.2Very high96Very high71 Ų7133.6 Ų33.627%0.26816%0.155SC..THydrogen-bonded Turntrans-77.9-21.5175.9-63.8168.3-82.4-172.6-3.2111.6I56 I57 K58 I59 D297I56-R299 WeakPolarHBondContact O-CD 3.32Å; I57-R299 WeakPolarHBondContact O-CA 3.41Å; I57-R299 WeakPolarHBondContact O-CB 3.35Å; I57-R299 WeakPolarHBondContact O-CG 3.42Å; K58-R299 CarbonylContact C-O 3.59Å; K58-R299 VanDerWaalsContact CA-O 3.23Å; K58-R299 WeakPolarHBondContact CA-O 3.41Å; K58-R299 WeakPolarHBondContact CD-O 3.44Å; I59-R299 HydrophobicContact CG2-CB 4.38Å; I59-R299 PolarHBondContact N-O 2.92Å; D297-R299 PolarHBondContact O-N 3.22Å; D297-R299 VanDerWaalsContact O-N 3.12Å; D297-R299 VanDerWaalsContact OD1-CB 3.28Å; D297-R299 WeakPolarHBondContact OD1-CB 3.45Å; D297-R299 WeakPolarHBondContact OD1-CG 3.3Å; D297-R299 IonicContact OD1-CZ 3.64Å; D297-R299 PolarHBondContact OD1-N 3.05Å; D297-R299 IonicContact OD1-NE 2.71Å; D297-R299 PolarHBondContact OD1-NE 3.11Å; D297-R299 IonicContact OD1-NH2 2.69Å; D297-R299 IonicContact OD2-CZ 3.3Å; D297-R299 IonicContact OD2-NE 3.36Å; D297-R299 PolarHBondContact OD2-NE 3.13Å; D297-R299 IonicContact OD2-NH2 3.82Å; D297-R299 PolarHBondContact OD2-NH2 2.82Å
300C95.2Very high96.1Very high0 Ų033.5 Ų33.50%015%0.154CC..EExtended strand (participates in β ladder)trans-87.1149.9-175.7-63.80000112.1F48 I59 H61 F62 D297 K298F48-C300 VanDerWaalsContact CZ-SG 3.6Å; I59-C300 WeakPolarHBondContact O-CA 3.36Å; H61-C300 PolarHBondContact O-SG 2.98Å; F62-C300 HydrophobicContact CD1-CB 3.39Å; F62-C300 HydrophobicContact CE1-CB 3.43Å; F62-C300 VanDerWaalsContact CE1-CB 3.43Å; F62-C300 HydrophobicContact CG-CB 3.98Å; F62-C300 HydrophobicContact CZ-CB 4.06Å; F62-C300 WeakPolarHBondContact CZ-O 3.16Å; D297-C300 HydrophobicContact CB-CB 4.46Å; D297-C300 WeakPolarHBondContact O-CB 3.47Å; D297-C300 PolarHBondContact O-N 2.53Å; K298-C300 VanDerWaalsContact C-N 3.33Å
301F96.8Very high96.1Very high1 Ų133.8 Ų33.80%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-147.1166.816368-82.8000107.9F36 W38 K58 I59 C60 H61 L198 V199 M345 V349F36-F301 AromaticContact CE2-CE1 3.62Å; F36-F301 HydrophobicContact CE2-CE1 3.62Å; F36-F301 AromaticContact CE2-CZ 3.58Å; F36-F301 HydrophobicContact CE2-CZ 3.58Å; F36-F301 HydrophobicContact CZ-CE1 4.27Å; F36-F301 AromaticContact CZ-CZ 3.8Å; F36-F301 HydrophobicContact CZ-CZ 3.8Å; W38-F301 HydrophobicContact CE3-CZ 4.22Å; W38-F301 AromaticContact CZ3-CE2 3.9Å; W38-F301 HydrophobicContact CZ3-CE2 3.9Å; W38-F301 AromaticContact CZ3-CZ 4Å; W38-F301 HydrophobicContact CZ3-CZ 4Å; K58-F301 HydrophobicContact CB-CE1 4.3Å; K58-F301 HydrophobicContact CD-CD1 4.48Å; I59-F301 WeakPolarHBondContact O-CD1 3.15Å; I59-F301 PolarHBondContact O-N 3.35Å; C60-F301 HydrophobicContact CB-CE2 4.5Å; C60-F301 HydrophobicContact CB-CZ 4.14Å; H61-F301 PolarHBondContact N-O 2.82Å; L198-F301 HydrophobicContact CD1-CD2 3.81Å; V199-F301 CarbonylContact O-C 3.57Å; V199-F301 WeakPolarHBondContact O-CA 3.4Å; F301-M345 HydrophobicContact CE2-CE 4.25Å; F301-M345 HydrophobicContact CE2-SD 3.92Å; F301-V349 HydrophobicContact CB-CG2 4.47Å; F301-V349 HydrophobicContact CD1-CG1 4.15Å; F301-V349 HydrophobicContact CD1-CG2 4.04Å; F301-V349 HydrophobicContact CD2-CG2 3.83Å; F301-V349 HydrophobicContact CE1-CG1 4.23Å; F301-V349 HydrophobicContact CE1-CG2 4.25Å; F301-V349 HydrophobicContact CE2-CG2 4.03Å; F301-V349 HydrophobicContact CG-CG2 3.83Å; F301-V349 HydrophobicContact CZ-CG2 4.24Å
302E97.1Very high96.1Very high0 Ų036 Ų360%017%0.168CC..EExtended strand (participates in β ladder)trans-147.8127.8-177.7-175.873.4-92.100111.3H61 F62 H65 L198 V199 Y304H61-E302 VanDerWaalsContact CA-OE2 3.3Å; H61-E302 WeakPolarHBondContact CA-OE2 3.46Å; H61-E302 IonicContact CE1-OE1 2.76Å; H61-E302 PolarHBondContact CE1-OE1 2.85Å; H61-E302 VanDerWaalsContact CE1-OE1 3.24Å; H61-E302 IonicContact CE1-OE2 3.81Å; H61-E302 IonicContact CG-OE1 3.99Å; H61-E302 IonicContact CG-OE2 3.71Å; H61-E302 IonicContact ND1-OE1 3.65Å; H61-E302 PolarHBondContact ND1-OE1 3.31Å; H61-E302 IonicContact ND1-OE2 2.77Å; H61-E302 PolarHBondContact ND1-OE2 3.11Å; F62-E302 HydrophobicContact CD2-CB 3.6Å; F62-E302 HydrophobicContact CE2-CB 3.78Å; H65-E302 IonicContact CG-OE2 3.69Å; L198-E302 WeakPolarHBondContact CA-O 3.49Å; V199-E302 PolarHBondContact N-O 2.85Å; V199-E302 PolarHBondContact O-N 3.09Å; E302-Y304 HydrophobicContact CB-CE2 3.96Å; E302-Y304 HydrophobicContact CG-CD1 3.87Å; E302-Y304 HydrophobicContact CG-CD2 4Å; E302-Y304 HydrophobicContact CG-CE1 3.39Å; E302-Y304 HydrophobicContact CG-CE2 3.55Å; E302-Y304 HydrophobicContact CG-CG 4.17Å
303L97.6Very high96.2Very high1 Ų133 Ų331%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-98.3107.2173.3-178.468.2000108.8L198 P325 L341 L342 M345 F365L198-L303 HydrophobicContact CB-CD1 4.19Å; L303-P325 WeakPolarHBondContact O-CD 3.15Å; L303-L341 HydrophobicContact CD1-CD1 4.42Å; L303-L341 HydrophobicContact CD2-CD2 4.25Å; L303-L341 HydrophobicContact CD2-CG 4.48Å; L303-L342 HydrophobicContact CD2-CD2 3.98Å; L303-M345 HydrophobicContact CB-SD 4.09Å; L303-M345 HydrophobicContact CD2-SD 3.93Å; L303-M345 HydrophobicContact CG-SD 4.43Å; L303-F365 HydrophobicContact CD1-CZ 4.21Å
304Y97.9Very high96.2Very high0 Ų031.9 Ų31.90%016%0.156CC..EExtended strand (participates in β ladder)trans-92.2136.2177.8-65.5-68.9000111.6L68 T69 Y196 V197 V199 F202 L287 E302 Y306 I321 N322 A323L68-Y304 HydrophobicContact CD2-CD1 4.26Å; L68-Y304 HydrophobicContact CD2-CD2 4.41Å; L68-Y304 HydrophobicContact CD2-CE1 3.82Å; L68-Y304 HydrophobicContact CD2-CE2 3.97Å; T69-Y304 HydrophobicContact CG2-CD1 4.23Å; T69-Y304 HydrophobicContact CG2-CE1 3.97Å; Y196-Y304 WeakPolarHBondContact CA-O 3.35Å; V197-Y304 PolarHBondContact N-O 3.25Å; V197-Y304 PolarHBondContact O-N 2.93Å; V199-Y304 HydrophobicContact CB-CE2 4.2Å; V199-Y304 HydrophobicContact CG2-CD2 3.93Å; V199-Y304 HydrophobicContact CG2-CE2 3.75Å; F202-Y304 HydrophobicContact CZ-CE2 4.28Å; L287-Y304 HydrophobicContact CD2-CD2 4.45Å; L287-Y304 HydrophobicContact CD2-CE2 4.1Å; E302-Y304 HydrophobicContact CB-CE2 3.96Å; E302-Y304 HydrophobicContact CG-CD1 3.87Å; E302-Y304 HydrophobicContact CG-CD2 4Å; E302-Y304 HydrophobicContact CG-CE1 3.39Å; E302-Y304 HydrophobicContact CG-CE2 3.55Å; E302-Y304 HydrophobicContact CG-CG 4.17Å; Y304-Y306 HydrophobicContact CG-CE2 4.4Å; Y304-I321 HydrophobicContact CD1-CG2 3.74Å; Y304-I321 HydrophobicContact CG-CG2 4.07Å; Y304-N322 WeakPolarHBondContact CA-O 3.48Å; Y304-A323 HydrophobicContact CE1-CB 4.38Å
305G97.6Very high96.3Very high0 Ų034.5 Ų34.50%017%0.167CC..EExtended strand (participates in β ladder)trans-96.6116.8162.400000110.5V195 I321 N322V195-G305 WeakPolarHBondContact O-CA 3.33Å; G305-I321 WeakPolarHBondContact O-CA 3.32Å; G305-N322 PolarHBondContact N-O 3.4Å; G305-N322 PolarHBondContact O-N 2.9Å
306Y98.2Very high96.5Very high0 Ų030.6 Ų30.60%015%0.147CC..EExtended strand (participates in β ladder)trans-92.2131174.2-80.3-112000109.7L193 R194 V195 V197 I282 F283 S286 Y304 L318 I321L193-Y306 VanDerWaalsContact O-O 3.05Å; R194-Y306 WeakPolarHBondContact CA-O 3.28Å; V195-Y306 PolarHBondContact N-O 3.08Å; V195-Y306 PolarHBondContact O-N 2.84Å; V197-Y306 HydrophobicContact CB-CD2 3.96Å; V197-Y306 HydrophobicContact CB-CE2 3.69Å; V197-Y306 HydrophobicContact CG1-CE2 4.33Å; V197-Y306 HydrophobicContact CG2-CD2 3.58Å; V197-Y306 HydrophobicContact CG2-CE2 3.64Å; V197-Y306 HydrophobicContact CG2-CG 4.35Å; I282-Y306 HydrophobicContact CG2-CD1 4.14Å; I282-Y306 HydrophobicContact CG2-CE1 4.24Å; F283-Y306 AromaticContact CD1-CD1 3.64Å; F283-Y306 HydrophobicContact CD1-CD1 3.64Å; F283-Y306 HydrophobicContact CD1-CD2 4.31Å; F283-Y306 AromaticContact CD1-CE1 3.76Å; F283-Y306 HydrophobicContact CD1-CE1 3.76Å; F283-Y306 HydrophobicContact CD1-CE2 4.42Å; F283-Y306 AromaticContact CD1-CG 3.94Å; F283-Y306 HydrophobicContact CD1-CG 3.94Å; F283-Y306 AromaticContact CE1-CD1 3.87Å; F283-Y306 HydrophobicContact CE1-CD1 3.87Å; F283-Y306 HydrophobicContact CE1-CD2 4.35Å; F283-Y306 HydrophobicContact CE1-CE1 4.44Å; F283-Y306 AromaticContact CE1-CG 3.83Å; F283-Y306 HydrophobicContact CE1-CG 3.83Å; S286-Y306 WeakPolarHBondContact OG-CE1 3.34Å; S286-Y306 PolarHBondContact OG-OH 3.18Å; Y304-Y306 HydrophobicContact CG-CE2 4.4Å; Y306-L318 HydrophobicContact CD1-CD1 3.76Å; Y306-L318 HydrophobicContact CE1-CD1 4.28Å; Y306-I321 HydrophobicContact CD1-CD1 4.1Å; Y306-I321 HydrophobicContact CD1-CG1 3.87Å; Y306-I321 HydrophobicContact CD2-CG2 4.27Å; Y306-I321 HydrophobicContact CE1-CD1 3.43Å; Y306-I321 VanDerWaalsContact CE1-CD1 3.43Å; Y306-I321 HydrophobicContact CE1-CG1 3.71Å; Y306-I321 HydrophobicContact CE2-CD1 4.49Å; Y306-I321 HydrophobicContact CE2-CG2 3.96Å; Y306-I321 HydrophobicContact CG-CG1 4.33Å
307D96.9Very high96.8Very high4 Ų429.8 Ų29.82%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-106.6111.3173.7-69.429.8000108.3L193 R194 R216 L319 E320L193-D307 CarbonylContact O-C 3.54Å; L193-D307 VanDerWaalsContact O-CA 3.24Å; L193-D307 WeakPolarHBondContact O-CA 3.37Å; R194-D307 IonicContact CZ-OD1 3.55Å; R194-D307 IonicContact CZ-OD2 3.5Å; R194-D307 IonicContact NE-OD1 2.79Å; R194-D307 PolarHBondContact NE-OD1 3.01Å; R194-D307 IonicContact NE-OD2 3.52Å; R194-D307 VanDerWaalsContact NH2-CG 3.27Å; R194-D307 IonicContact NH2-OD1 2.65Å; R194-D307 PolarHBondContact NH2-OD1 2.82Å; R194-D307 IonicContact NH2-OD2 3.65Å; R194-D307 PolarHBondContact NH2-OD2 3.4Å; R216-D307 IonicContact CZ-OD2 3.57Å; R216-D307 IonicContact NH2-OD2 3.16Å; R216-D307 PolarHBondContact NH2-OD2 2.8Å; D307-L319 HydrophobicContact CB-CB 4.36Å; D307-L319 WeakPolarHBondContact O-CB 3.39Å; D307-L319 PolarHBondContact O-N 2.62Å; D307-E320 HydrophobicContact CB-CG 3.38Å; D307-E320 PolarHBondContact N-O 3.17Å; D307-E320 PolarHBondContact O-N 2.74Å; D307-E320 VanDerWaalsContact OD2-OE1 3.11Å
308I98.4Very high97Very high0 Ų028.4 Ų28.40%013%0.133CC..EExtended strand (participates in β ladder)trans-120.4133.9-173.9-61.8175.7000109.9D192 L193 V195 V279 I282 F283 P316 W317D192-I308 CarbonylContact C-O 3.33Å; D192-I308 WeakPolarHBondContact CA-O 3.32Å; L193-I308 HydrophobicContact CB-CB 4.3Å; L193-I308 PolarHBondContact N-O 3.09Å; L193-I308 PolarHBondContact O-N 3.35Å; V195-I308 HydrophobicContact CG2-CD1 4.12Å; V279-I308 HydrophobicContact CG1-CD1 3.7Å; V279-I308 HydrophobicContact CG2-CD1 4.36Å; I282-I308 HydrophobicContact CD1-CD1 4.24Å; I282-I308 HydrophobicContact CD1-CG2 4.3Å; I282-I308 HydrophobicContact CG2-CD1 4.28Å; F283-I308 HydrophobicContact CE1-CD1 3.91Å; F283-I308 HydrophobicContact CZ-CD1 4.45Å; I308-P316 HydrophobicContact CG2-CB 3.7Å; I308-W317 CarbonylContact C-O 3.49Å; I308-W317 WeakPolarHBondContact CA-O 3.43Å
309L98Very high97.2Very high4 Ų422.2 Ų22.22%0.02111%0.108CC..EExtended strand (participates in β ladder)trans-102.9139171179.965.1000109.7V180 P183 K190 F191 P316 W317 L319V180-L309 HydrophobicContact CB-CD2 3.61Å; V180-L309 HydrophobicContact CG1-CD2 3.78Å; V180-L309 HydrophobicContact CG2-CD2 4.02Å; P183-L309 HydrophobicContact CB-CD1 4.04Å; P183-L309 HydrophobicContact CB-CD2 4.43Å; K190-L309 HydrophobicContact CG-CD1 4.48Å; F191-L309 WeakPolarHBondContact O-CD1 3.41Å; L309-P316 CarbonylContact O-C 3.52Å; L309-P316 WeakPolarHBondContact O-CA 3.49Å; L309-W317 HydrophobicContact CB-CB 4.37Å; L309-W317 PolarHBondContact N-O 3.41Å; L309-W317 PolarHBondContact O-N 3.32Å; L309-L319 HydrophobicContact CB-CD1 3.86Å; L309-L319 HydrophobicContact CB-CD2 4.02Å; L309-L319 HydrophobicContact CB-CG 3.94Å; L309-L319 HydrophobicContact CD2-CD2 4.46Å
310I98.2Very high97.2Very high3 Ų321.3 Ų21.32%0.01511%0.107CC..EExtended strand (participates in β ladder)trans-100.9134.7170.5-59.7166.6000108Y184 F191 L193 L275 L314Y184-I310 WeakPolarHBondContact CB-O 3.43Å; Y184-I310 PolarHBondContact N-O 3.48Å; F191-I310 HydrophobicContact CE2-CD1 4.44Å; L193-I310 HydrophobicContact CD1-CD1 3.81Å; L193-I310 HydrophobicContact CD1-CG1 4.27Å; L193-I310 HydrophobicContact CG-CD1 4.37Å; L275-I310 HydrophobicContact CD1-CD1 4.12Å; L275-I310 HydrophobicContact CD1-CG1 4.03Å; L275-I310 HydrophobicContact CD1-CG2 4.19Å; L275-I310 HydrophobicContact CD2-CD1 3.93Å; I310-L314 HydrophobicContact CG2-CD2 4.3Å
311D97.6Very high97.3Very high6 Ų621.4 Ų21.43%0.03211%0.107CC..BIsolated β-bridgetrans-91.9170.8171.57820.1000112.8V180 N182 Y184 N313 L314 K315 W317V180-D311 HydrophobicContact CG1-CB 4.2Å; N182-D311 CarbonylContact O-C 3.55Å; N182-D311 WeakPolarHBondContact O-CA 3.1Å; N182-D311 WeakPolarHBondContact O-CB 3.45Å; Y184-D311 WeakPolarHBondContact CB-O 3.3Å; D311-N313 PolarHBondContact O-N 2.92Å; D311-N313 WeakPolarHBondContact OD1-CA 3.43Å; D311-N313 WeakPolarHBondContact OD1-CB 3.18Å; D311-N313 PolarHBondContact OD1-N 3.18Å; D311-L314 WeakPolarHBondContact O-CA 3.34Å; D311-L314 PolarHBondContact O-N 3.02Å; D311-L314 PolarHBondContact OD1-N 2.89Å; D311-K315 PolarHBondContact N-O 3.43Å; D311-K315 WeakPolarHBondContact OD1-CB 3.3Å; D311-K315 PolarHBondContact OD1-N 2.82Å; D311-W317 PolarHBondContact OD2-NE1 3.31Å
312N96.4Very high97.1Very high93 Ų9323.7 Ų23.750%0.49712%0.119SC..THydrogen-bonded Turntrans-64.4-12.7-175.6-165.146000114.3N182 L314N182-N312 PolarHBondContact O-N 3.21Å; N312-L314 VanDerWaalsContact C-N 3.31Å
313N96.9Very high96.8Very high127 Ų12724.5 Ų24.568%0.67913%0.126SC*.THydrogen-bonded Turntrans-92.99.7172.9-60.8-35.7000112.3D311 K315D311-N313 PolarHBondContact O-N 2.92Å; D311-N313 WeakPolarHBondContact OD1-CA 3.43Å; D311-N313 WeakPolarHBondContact OD1-CB 3.18Å; D311-N313 PolarHBondContact OD1-N 3.18Å; N313-K315 PolarHBondContact O-N 3.37Å
314L97Very high96.3Very high15 Ų1525.7 Ų25.78%0.07914%0.135CC..SBendtrans61.926.8-173.4-55.6176.1000113.7Y184 L263 Y267 K271 L275 I310 D311 N312Y184-L314 HydrophobicContact CD2-CD2 4.45Å; L263-L314 HydrophobicContact CD2-CD2 4.31Å; Y267-L314 HydrophobicContact CD1-CD1 3.91Å; Y267-L314 HydrophobicContact CD2-CD1 3.91Å; Y267-L314 HydrophobicContact CD2-CD2 4.24Å; Y267-L314 HydrophobicContact CE1-CD1 4.22Å; Y267-L314 HydrophobicContact CE2-CD1 4.23Å; Y267-L314 HydrophobicContact CE2-CD2 3.93Å; Y267-L314 HydrophobicContact CG-CD1 3.75Å; K271-L314 HydrophobicContact CB-CD1 4.13Å; L275-L314 VanDerWaalsContact CD1-O 3.25Å; L275-L314 WeakPolarHBondContact CD1-O 3.42Å; I310-L314 HydrophobicContact CG2-CD2 4.3Å; D311-L314 WeakPolarHBondContact O-CA 3.34Å; D311-L314 PolarHBondContact O-N 3.02Å; D311-L314 PolarHBondContact OD1-N 2.89Å; N312-L314 VanDerWaalsContact C-N 3.31Å
315K97.3Very high95.8Very high65 Ų6526 Ų2628%0.28314%0.136SC..  trans-88.3128.7171-180-179.9176.5-179.90110D98 D311 N313 W317D98-K315 WeakPolarHBondContact O-CE 3.4Å; D98-K315 PolarHBondContact O-NZ 2.91Å; D311-K315 PolarHBondContact N-O 3.43Å; D311-K315 WeakPolarHBondContact OD1-CB 3.3Å; D311-K315 PolarHBondContact OD1-N 2.82Å; N313-K315 PolarHBondContact O-N 3.37Å; K315-W317 HydrophobicContact CD-CH2 4.43Å; K315-W317 HydrophobicContact CD-CZ2 3.78Å
316P98.3Very high95.2Very high2 Ų229.5 Ų29.51%0.01316%0.161CC..EExtended strand (participates in β ladder)trans-82.4145.7174.133.8-31.3000111.5L275 Q278 V279 I282 I308 L309L275-P316 HydrophobicContact CD1-CB 4.16Å; L275-P316 HydrophobicContact CD1-CG 4.21Å; Q278-P316 HydrophobicContact CB-CG 3.49Å; Q278-P316 VanDerWaalsContact CB-CG 3.49Å; V279-P316 HydrophobicContact CG2-CB 3.72Å; V279-P316 HydrophobicContact CG2-CG 3.96Å; I282-P316 HydrophobicContact CD1-CB 3.71Å; I282-P316 HydrophobicContact CD1-CG 3.88Å; I308-P316 HydrophobicContact CG2-CB 3.7Å; L309-P316 CarbonylContact O-C 3.52Å; L309-P316 WeakPolarHBondContact O-CA 3.49Å
317W98.5Very high94.7Very high32 Ų3229.7 Ų29.712%0.12116%0.162CC..EExtended strand (participates in β ladder)trans-129.3120.5-179.2-65.691.6000110.2F99 P101 V180 I308 L309 D311 K315 L319F99-W317 CarbonylContact O-C 3.56Å; F99-W317 VanDerWaalsContact O-CA 3.28Å; F99-W317 WeakPolarHBondContact O-CA 3.45Å; P101-W317 HydrophobicContact CG-CE3 4.39Å; V180-W317 HydrophobicContact CG2-CD2 4.3Å; V180-W317 HydrophobicContact CG2-CG 4.16Å; I308-W317 CarbonylContact C-O 3.49Å; I308-W317 WeakPolarHBondContact CA-O 3.43Å; L309-W317 HydrophobicContact CB-CB 4.37Å; L309-W317 PolarHBondContact N-O 3.41Å; L309-W317 PolarHBondContact O-N 3.32Å; D311-W317 PolarHBondContact OD2-NE1 3.31Å; K315-W317 HydrophobicContact CD-CH2 4.43Å; K315-W317 HydrophobicContact CD-CZ2 3.78Å; W317-L319 PolarHBondContact O-N 2.92Å
318L98.4Very high94.2Very high0 Ų033.8 Ų33.80%019%0.187CC..EExtended strand (participates in β ladder)trans-70.1112.4173.9-179.360.9000110.9K71 M74 L78 F99 F100 I282 Y306 I321K71-L318 PolarHBondContact NZ-O 3.29Å; M74-L318 HydrophobicContact CE-CD2 4.05Å; M74-L318 HydrophobicContact CE-CG 4.34Å; M74-L318 HydrophobicContact SD-CD2 3.9Å; M74-L318 HydrophobicContact SD-CG 4.44Å; L78-L318 HydrophobicContact CD1-CD2 4.25Å; F99-L318 HydrophobicContact CD2-CB 4.02Å; F99-L318 HydrophobicContact CD2-CD2 4.4Å; F99-L318 HydrophobicContact CE2-CB 4.47Å; F99-L318 HydrophobicContact CE2-CD2 4.02Å; F99-L318 PolarHBondContact O-N 3Å; F100-L318 HydrophobicContact CB-CB 4.48Å; I282-L318 HydrophobicContact CG2-CB 3.89Å; I282-L318 HydrophobicContact CG2-CD1 3.86Å; I282-L318 HydrophobicContact CG2-CD2 4.11Å; I282-L318 HydrophobicContact CG2-CG 4.16Å; Y306-L318 HydrophobicContact CD1-CD1 3.76Å; Y306-L318 HydrophobicContact CE1-CD1 4.28Å; L318-I321 HydrophobicContact CD1-CD1 4.27Å; L318-I321 HydrophobicContact CD1-CG1 3.8Å; L318-I321 HydrophobicContact CD2-CD1 3.96Å; L318-I321 HydrophobicContact CD2-CG1 4.3Å
319L95.5Very high93.5Very high42 Ų4235.3 Ų35.322%0.2220%0.2CC..EExtended strand (participates in β ladder)trans-89.6-52177.9-60.3-171.5000112K71 D192 D307 L309 W317K71-L319 WeakPolarHBondContact CD-O 3.36Å; K71-L319 WeakPolarHBondContact CE-O 3.39Å; K71-L319 PolarHBondContact NZ-O 2.9Å; D192-L319 HydrophobicContact CB-CD1 4.49Å; D307-L319 HydrophobicContact CB-CB 4.36Å; D307-L319 WeakPolarHBondContact O-CB 3.39Å; D307-L319 PolarHBondContact O-N 2.62Å; L309-L319 HydrophobicContact CB-CD1 3.86Å; L309-L319 HydrophobicContact CB-CD2 4.02Å; L309-L319 HydrophobicContact CB-CG 3.94Å; L309-L319 HydrophobicContact CD2-CD2 4.46Å; W317-L319 PolarHBondContact O-N 2.92Å
320E94.3Very high92.8Very high53 Ų5338.5 Ų38.525%0.24822%0.223CC..EExtended strand (participates in β ladder)trans-157.2157.7-178.554.4-173.7-126.300111K128 D307 N322K128-E320 IonicContact NZ-OE2 3.64Å; D307-E320 HydrophobicContact CB-CG 3.38Å; D307-E320 PolarHBondContact N-O 3.17Å; D307-E320 PolarHBondContact O-N 2.74Å; D307-E320 VanDerWaalsContact OD2-OE1 3.11Å; E320-N322 PolarHBondContact OE1-ND2 2.83Å; E320-N322 VanDerWaalsContact OE1-ND2 3.12Å
321I96.6Very high92.2Very high1 Ų140.7 Ų40.71%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-126127.4172.1-56.8173.1000106.4L68 T69 M74 Y304 G305 Y306 L318L68-I321 HydrophobicContact CD1-CD1 3.63Å; L68-I321 HydrophobicContact CD2-CD1 4.25Å; L68-I321 HydrophobicContact CD2-CG2 4.16Å; L68-I321 HydrophobicContact CG-CB 4.45Å; L68-I321 HydrophobicContact CG-CD1 3.75Å; L68-I321 HydrophobicContact CG-CG2 4.16Å; T69-I321 WeakPolarHBondContact CA-O 3.15Å; T69-I321 VanDerWaalsContact CB-O 3.27Å; T69-I321 WeakPolarHBondContact CB-O 3.33Å; M74-I321 HydrophobicContact CG-CD1 4.48Å; M74-I321 HydrophobicContact SD-CD1 3.84Å; M74-I321 HydrophobicContact SD-CG1 3.96Å; Y304-I321 HydrophobicContact CD1-CG2 3.74Å; Y304-I321 HydrophobicContact CG-CG2 4.07Å; G305-I321 WeakPolarHBondContact O-CA 3.32Å; Y306-I321 HydrophobicContact CD1-CD1 4.1Å; Y306-I321 HydrophobicContact CD1-CG1 3.87Å; Y306-I321 HydrophobicContact CD2-CG2 4.27Å; Y306-I321 HydrophobicContact CE1-CD1 3.43Å; Y306-I321 VanDerWaalsContact CE1-CD1 3.43Å; Y306-I321 HydrophobicContact CE1-CG1 3.71Å; Y306-I321 HydrophobicContact CE2-CD1 4.49Å; Y306-I321 HydrophobicContact CE2-CG2 3.96Å; Y306-I321 HydrophobicContact CG-CG1 4.33Å; L318-I321 HydrophobicContact CD1-CD1 4.27Å; L318-I321 HydrophobicContact CD1-CG1 3.8Å; L318-I321 HydrophobicContact CD2-CD1 3.96Å; L318-I321 HydrophobicContact CD2-CG1 4.3Å
322N93.7Very high91.7Very high49 Ų4945.9 Ų45.926%0.26226%0.26SS..EExtended strand (participates in β ladder)trans-114123.7-177.7-66.8-58.2000109.6Y304 G305 E320Y304-N322 WeakPolarHBondContact CA-O 3.48Å; G305-N322 PolarHBondContact N-O 3.4Å; G305-N322 PolarHBondContact O-N 2.9Å; E320-N322 PolarHBondContact OE1-ND2 2.83Å; E320-N322 VanDerWaalsContact OE1-ND2 3.12Å
323A90.6Very high91.2Very high17 Ų1747.6 Ų47.614%0.1427%0.265CS..EExtended strand (participates in β ladder)trans-75.9141160.900000107.7T69 Y304T69-A323 HydrophobicContact CG2-CB 3.7Å; T69-A323 VanDerWaalsContact CG2-N 3.28Å; Y304-A323 HydrophobicContact CE1-CB 4.38Å
324S85.2Confident90.8Very high27 Ų2741.8 Ų41.819%0.18923%0.234CC..SBendtrans5163.5-170.6-83.30000112.1H61H61-S324 PolarHBondContact CE1-OG 3.19Å; H61-S324 PolarHBondContact NE2-OG 3.24Å; H61-S324 VanDerWaalsContact NE2-OG 3.08Å
325P89.1Confident90.5Very high6 Ų642.6 Ų42.64%0.03924%0.237CC..  trans-55.3155.9175.126.7-35.4000110.6Y196 L303 L327Y196-P325 HydrophobicContact CD1-CG 4.07Å; Y196-P325 HydrophobicContact CE1-CB 4.13Å; Y196-P325 HydrophobicContact CE1-CG 3.85Å; L303-P325 WeakPolarHBondContact O-CD 3.15Å; P325-L327 WeakPolarHBondContact O-CG 3.35Å; P325-L327 PolarHBondContact O-N 2.8Å
326S84.9Confident90.2Very high74 Ų7441.5 Ų41.552%0.51723%0.233SC..  trans-57.6111.3-179.9179.80000111.9K338S326-K338 WeakPolarHBondContact O-CE 3.3Å; S326-K338 PolarHBondContact O-NZ 2.81Å
327L87.1Confident89.9Confident3 Ų342.2 Ų42.22%0.01624%0.237CC..  trans-974178-61.2-179.2000113.1T15 I16 W38 P325 A329 L342T15-L327 VanDerWaalsContact CG2-O 3.28Å; T15-L327 WeakPolarHBondContact CG2-O 3.28Å; T15-L327 PolarHBondContact OG1-O 3.47Å; I16-L327 HydrophobicContact CB-CD1 4.43Å; W38-L327 HydrophobicContact CH2-CD1 4.28Å; W38-L327 HydrophobicContact CZ2-CD1 3.57Å; P325-L327 WeakPolarHBondContact O-CG 3.35Å; P325-L327 PolarHBondContact O-N 2.8Å; L327-A329 PolarHBondContact O-N 3.08Å; L327-L342 HydrophobicContact CD1-CD1 4.02Å; L327-L342 HydrophobicContact CD1-CD2 3.7Å; L327-L342 HydrophobicContact CD1-CG 4.48Å; L327-L342 HydrophobicContact CD2-CD1 4.34Å; L327-L342 HydrophobicContact CD2-CD2 4.08Å
328T85.6Confident89.7Confident91 Ų9140.9 Ų40.956%0.55823%0.232SC*.  trans-77.8122.1173-52.80000109.7K338T328-K338 PolarHBondContact O-NZ 2.94Å
329A85Confident89.6Confident32 Ų3240.9 Ų40.926%0.26423%0.232SC..  trans-74.1138.7-179.100000112.1T15 L327 D334 Y335T15-A329 HydrophobicContact CG2-CB 4.16Å; L327-A329 PolarHBondContact O-N 3.08Å; A329-D334 WeakPolarHBondContact CA-OD2 3.28Å; A329-Y335 HydrophobicContact CB-CD2 3.8Å; A329-Y335 HydrophobicContact CB-CG 4.21Å
330S83Confident89.6Confident71 Ų7139.5 Ų39.550%0.49723%0.225SC..SBendtrans-104.5-14.5175.367.30000114.4K253 D334K253-S330 PolarHBondContact NZ-OG 3.01Å; S330-D334 PolarHBondContact N-OD2 3.15Å; S330-D334 PolarHBondContact OG-OD2 2.98Å
331S84.4Confident89.6Confident48 Ų4837 Ų3734%0.33621%0.213SC..SBendtrans-149.9172177.7800000109.6E333 D334 Y335S331-E333 VanDerWaalsContact C-N 3.35Å; S331-E333 PolarHBondContact O-N 3.3Å; S331-E333 PolarHBondContact OG-N 3.25Å; S331-E333 PolarHBondContact OG-OE2 3.32Å; S331-D334 PolarHBondContact O-N 2.95Å; S331-D334 PolarHBondContact OG-N 3.33Å; S331-Y335 WeakPolarHBondContact O-CB 3.42Å; S331-Y335 PolarHBondContact O-N 3.32Å
332K87.4Confident89.6Confident115 Ų11537 Ų3750%0.521%0.213SC..Hα-helixtrans-60.3-43.2175.8177.1168.8-175.4-179.80112.6D334 Y335 I336 L431K332-D334 VanDerWaalsContact C-N 3.35Å; K332-Y335 WeakPolarHBondContact O-CB 3.45Å; K332-Y335 PolarHBondContact O-N 2.85Å; K332-I336 HydrophobicContact CG-CD1 4.05Å; K332-I336 WeakPolarHBondContact O-CG1 3.45Å; K332-I336 PolarHBondContact O-N 2.87Å; K332-L431 HydrophobicContact CB-CD1 3.55Å; K332-L431 HydrophobicContact CD-CD1 3.86Å; K332-L431 HydrophobicContact CG-CD1 3.5Å; K332-L431 VanDerWaalsContact CG-CD1 3.5Å; K332-L431 HydrophobicContact CG-CG 4.42Å
333E86.1Confident89.7Confident130 Ų13035.1 Ų35.161%0.60720%0.203SC*.Hα-helixtrans-66.2-40.5178.7-58.669.6-150.200110.7S331 Y335 I336 L337S331-E333 VanDerWaalsContact C-N 3.35Å; S331-E333 PolarHBondContact O-N 3.3Å; S331-E333 PolarHBondContact OG-N 3.25Å; S331-E333 PolarHBondContact OG-OE2 3.32Å; E333-Y335 VanDerWaalsContact C-N 3.32Å; E333-Y335 PolarHBondContact O-N 3.19Å; E333-I336 PolarHBondContact O-N 2.76Å; E333-L337 WeakPolarHBondContact O-CB 3.2Å; E333-L337 PolarHBondContact O-N 3.04Å
334D88.2Confident90Very high5 Ų534.3 Ų34.33%0.02720%0.196CC..Hα-helixtrans-66-35.9175.8-163.561.9000111.4K253 A329 S330 S331 K332 K338K253-D334 IonicContact NZ-OD1 3.99Å; K253-D334 PolarHBondContact NZ-OD1 3.4Å; K253-D334 IonicContact NZ-OD2 2.65Å; K253-D334 PolarHBondContact NZ-OD2 3.32Å; K253-D334 VanDerWaalsContact NZ-OD2 3.11Å; A329-D334 WeakPolarHBondContact CA-OD2 3.28Å; S330-D334 PolarHBondContact N-OD2 3.15Å; S330-D334 PolarHBondContact OG-OD2 2.98Å; S331-D334 PolarHBondContact O-N 2.95Å; S331-D334 PolarHBondContact OG-N 3.33Å; K332-D334 VanDerWaalsContact C-N 3.35Å; D334-K338 WeakPolarHBondContact O-CB 3.46Å; D334-K338 WeakPolarHBondContact O-CD 3.5Å; D334-K338 VanDerWaalsContact O-CG 3.28Å; D334-K338 WeakPolarHBondContact O-CG 3.23Å; D334-K338 PolarHBondContact O-N 3.26Å; D334-K338 IonicContact OD1-NZ 2.62Å; D334-K338 IonicContact OD2-NZ 3.14Å; D334-K338 PolarHBondContact OD2-NZ 3.49Å
335Y91.2Very high90.6Very high32 Ų3233 Ų3313%0.12519%0.187CC..Hα-helixtrans-65-48.5173.8-174.3-92.5000111.4T15 D18 A329 S331 K332 E333 L337 K338 T339 L431T15-Y335 HydrophobicContact CG2-CD2 3.74Å; T15-Y335 HydrophobicContact CG2-CE2 3.84Å; D18-Y335 WeakPolarHBondContact OD2-CE2 3.47Å; D18-Y335 PolarHBondContact OD2-OH 3.09Å; A329-Y335 HydrophobicContact CB-CD2 3.8Å; A329-Y335 HydrophobicContact CB-CG 4.21Å; S331-Y335 WeakPolarHBondContact O-CB 3.42Å; S331-Y335 PolarHBondContact O-N 3.32Å; K332-Y335 WeakPolarHBondContact O-CB 3.45Å; K332-Y335 PolarHBondContact O-N 2.85Å; E333-Y335 VanDerWaalsContact C-N 3.32Å; E333-Y335 PolarHBondContact O-N 3.19Å; Y335-L337 PolarHBondContact O-N 3.18Å; Y335-K338 PolarHBondContact O-N 3.26Å; Y335-T339 HydrophobicContact CD1-CG2 4.02Å; Y335-T339 HydrophobicContact CD2-CG2 4.43Å; Y335-T339 HydrophobicContact CE1-CG2 3.63Å; Y335-T339 HydrophobicContact CE2-CG2 4.07Å; Y335-T339 HydrophobicContact CG-CG2 4.4Å; Y335-T339 WeakPolarHBondContact O-CB 3.41Å; Y335-T339 WeakPolarHBondContact O-CG2 3.36Å; Y335-T339 PolarHBondContact O-N 3.27Å; Y335-T339 PolarHBondContact O-OG1 3.43Å; Y335-L431 HydrophobicContact CD1-CD2 4.09Å; Y335-L431 HydrophobicContact CD1-CG 4.19Å; Y335-L431 HydrophobicContact CD2-CD2 4.32Å; Y335-L431 HydrophobicContact CE1-CD2 4.41Å; Y335-L431 HydrophobicContact CG-CD2 4.05Å; Y335-L431 HydrophobicContact CG-CG 4.48Å
336I91.9Very high90.9Very high41 Ų4132.8 Ų32.821%0.2119%0.186CC..Hα-helixtrans-60.9-46.3177.7-67.9165.2000110.5K332 E333 K338 T339 N340 A427K332-I336 HydrophobicContact CG-CD1 4.05Å; K332-I336 WeakPolarHBondContact O-CG1 3.45Å; K332-I336 PolarHBondContact O-N 2.87Å; E333-I336 PolarHBondContact O-N 2.76Å; I336-K338 PolarHBondContact O-N 3.38Å; I336-T339 PolarHBondContact O-OG1 3.01Å; I336-N340 WeakPolarHBondContact O-CB 3.42Å; I336-N340 VanDerWaalsContact O-CG 3.31Å; I336-N340 PolarHBondContact O-N 3.49Å; I336-A427 HydrophobicContact CD1-CB 4.5Å; I336-A427 HydrophobicContact CG2-CB 3.9Å
337L92.1Very high91.5Very high18 Ų1830.2 Ų30.29%0.09417%0.166CC..Hα-helixtrans-56.6-50.1177.4172.465.5000111.3Y210 D212 F214 E333 Y335 L341Y210-L337 HydrophobicContact CE1-CD1 3.93Å; D212-L337 HydrophobicContact CB-CD1 3.86Å; F214-L337 HydrophobicContact CD1-CD2 3.65Å; F214-L337 HydrophobicContact CE1-CD2 4.34Å; E333-L337 WeakPolarHBondContact O-CB 3.2Å; E333-L337 PolarHBondContact O-N 3.04Å; Y335-L337 PolarHBondContact O-N 3.18Å; L337-L341 WeakPolarHBondContact O-CB 3.33Å; L337-L341 PolarHBondContact O-N 2.82Å
338K94.3Very high92Very high4 Ų430.6 Ų30.62%0.01717%0.168CC..Hα-helixtrans-70.1-41.6-175.8-75.4167.9171.31670112.5T15 S326 T328 D334 Y335 I336 L341 L342T15-K338 HydrophobicContact CG2-CB 4.24Å; S326-K338 WeakPolarHBondContact O-CE 3.3Å; S326-K338 PolarHBondContact O-NZ 2.81Å; T328-K338 PolarHBondContact O-NZ 2.94Å; D334-K338 WeakPolarHBondContact O-CB 3.46Å; D334-K338 WeakPolarHBondContact O-CD 3.5Å; D334-K338 VanDerWaalsContact O-CG 3.28Å; D334-K338 WeakPolarHBondContact O-CG 3.23Å; D334-K338 PolarHBondContact O-N 3.26Å; D334-K338 IonicContact OD1-NZ 2.62Å; D334-K338 IonicContact OD2-NZ 3.14Å; D334-K338 PolarHBondContact OD2-NZ 3.49Å; Y335-K338 PolarHBondContact O-N 3.26Å; I336-K338 PolarHBondContact O-N 3.38Å; K338-L341 PolarHBondContact O-N 3.02Å; K338-L342 WeakPolarHBondContact O-CB 3.18Å; K338-L342 WeakPolarHBondContact O-CD1 3.49Å; K338-L342 WeakPolarHBondContact O-CG 3.44Å; K338-L342 PolarHBondContact O-N 2.89Å
339T95.4Very high92.5Very high0 Ų026.8 Ų26.80%015%0.145CC..Hα-helixtrans-66-44.5178.348.70000111.3T15 V19 Y335 I336 L342 D343 Y429T15-T339 HydrophobicContact CG2-CG2 4.33Å; V19-T339 HydrophobicContact CG2-CG2 3.95Å; Y335-T339 HydrophobicContact CD1-CG2 4.02Å; Y335-T339 HydrophobicContact CD2-CG2 4.43Å; Y335-T339 HydrophobicContact CE1-CG2 3.63Å; Y335-T339 HydrophobicContact CE2-CG2 4.07Å; Y335-T339 HydrophobicContact CG-CG2 4.4Å; Y335-T339 WeakPolarHBondContact O-CB 3.41Å; Y335-T339 WeakPolarHBondContact O-CG2 3.36Å; Y335-T339 PolarHBondContact O-N 3.27Å; Y335-T339 PolarHBondContact O-OG1 3.43Å; I336-T339 PolarHBondContact O-OG1 3.01Å; T339-L342 PolarHBondContact O-N 3.31Å; T339-D343 VanDerWaalsContact O-CB 3.28Å; T339-D343 WeakPolarHBondContact O-CB 3.28Å; T339-D343 PolarHBondContact O-N 2.92Å; T339-Y429 VanDerWaalsContact CB-CD2 3.44Å; T339-Y429 HydrophobicContact CG2-CG 4.44Å; T339-Y429 WeakPolarHBondContact OG1-CD2 3.47Å
340N94.9Very high92.9Very high13 Ų1326.9 Ų26.97%0.0714%0.141CC..Hα-helixtrans-62.3-44.6173.3-71.8-1.7000112.2I336 L342 D343 D344I336-N340 WeakPolarHBondContact O-CB 3.42Å; I336-N340 VanDerWaalsContact O-CG 3.31Å; I336-N340 PolarHBondContact O-N 3.49Å; N340-L342 VanDerWaalsContact C-N 3.31Å; N340-L342 PolarHBondContact O-N 3.42Å; N340-D343 PolarHBondContact O-N 3.34Å; N340-D344 WeakPolarHBondContact O-CB 3.35Å; N340-D344 PolarHBondContact O-N 2.8Å
341L95.8Very high93.4Very high0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-55.2-46.7176.1167.471.1000111.8Y196 Y210 L303 L337 K338 M345 F365Y196-L341 HydrophobicContact CD1-CD2 3.57Å; Y196-L341 HydrophobicContact CD2-CD1 4.29Å; Y196-L341 HydrophobicContact CD2-CD2 3.71Å; Y196-L341 HydrophobicContact CE1-CD2 3.67Å; Y196-L341 HydrophobicContact CE2-CD2 3.83Å; Y196-L341 HydrophobicContact CG-CD1 4.03Å; Y196-L341 HydrophobicContact CG-CD2 3.57Å; Y196-L341 HydrophobicContact CG-CG 4.48Å; Y210-L341 HydrophobicContact CD1-CB 4.36Å; Y210-L341 HydrophobicContact CD1-CD1 3.59Å; Y210-L341 HydrophobicContact CD2-CD1 3.6Å; Y210-L341 HydrophobicContact CE1-CB 3.98Å; Y210-L341 HydrophobicContact CE1-CD1 4.05Å; Y210-L341 HydrophobicContact CE2-CB 4.29Å; Y210-L341 HydrophobicContact CE2-CD1 4.03Å; Y210-L341 HydrophobicContact CG-CD1 3.35Å; Y210-L341 PolarHBondContact OH-N 2.84Å; L303-L341 HydrophobicContact CD1-CD1 4.42Å; L303-L341 HydrophobicContact CD2-CD2 4.25Å; L303-L341 HydrophobicContact CD2-CG 4.48Å; L337-L341 WeakPolarHBondContact O-CB 3.33Å; L337-L341 PolarHBondContact O-N 2.82Å; K338-L341 PolarHBondContact O-N 3.02Å; L341-M345 WeakPolarHBondContact O-CB 3.34Å; L341-M345 PolarHBondContact O-N 3.44Å; L341-F365 HydrophobicContact CD1-CE1 4.32Å; L341-F365 HydrophobicContact CD1-CE2 4Å; L341-F365 HydrophobicContact CD1-CZ 3.49Å; L341-F365 VanDerWaalsContact CD1-CZ 3.49Å; L341-F365 WeakPolarHBondContact O-CE2 3.39Å
342L96.5Very high93.7Very high0 Ų025.8 Ų25.80%012%0.124CC..Hα-helixtrans-74.6-35.2-177.2-65.1167000111.5T15 I16 V19 W38 L303 L327 K338 T339 N340 M345 L346T15-L342 WeakPolarHBondContact OG1-CD1 3.5Å; I16-L342 HydrophobicContact CB-CD1 4.05Å; I16-L342 HydrophobicContact CD1-CB 4.21Å; I16-L342 HydrophobicContact CD1-CD1 4.33Å; I16-L342 HydrophobicContact CD1-CD2 4.2Å; I16-L342 HydrophobicContact CD1-CG 4.47Å; V19-L342 HydrophobicContact CB-CB 4.46Å; V19-L342 HydrophobicContact CG1-CB 4.34Å; V19-L342 HydrophobicContact CG2-CB 4.12Å; W38-L342 HydrophobicContact CH2-CD2 4.22Å; L303-L342 HydrophobicContact CD2-CD2 3.98Å; L327-L342 HydrophobicContact CD1-CD1 4.02Å; L327-L342 HydrophobicContact CD1-CD2 3.7Å; L327-L342 HydrophobicContact CD1-CG 4.48Å; L327-L342 HydrophobicContact CD2-CD1 4.34Å; L327-L342 HydrophobicContact CD2-CD2 4.08Å; K338-L342 WeakPolarHBondContact O-CB 3.18Å; K338-L342 WeakPolarHBondContact O-CD1 3.49Å; K338-L342 WeakPolarHBondContact O-CG 3.44Å; K338-L342 PolarHBondContact O-N 2.89Å; T339-L342 PolarHBondContact O-N 3.31Å; N340-L342 VanDerWaalsContact C-N 3.31Å; N340-L342 PolarHBondContact O-N 3.42Å; L342-M345 HydrophobicContact CD2-CE 4.11Å; L342-M345 HydrophobicContact CD2-SD 4.25Å; L342-M345 PolarHBondContact O-N 3.04Å; L342-L346 WeakPolarHBondContact O-CG 3.37Å; L342-L346 PolarHBondContact O-N 3.37Å
343D95.8Very high93.9Very high11 Ų1123.2 Ų23.26%0.05913%0.13CC..Hα-helixtrans-64.4-48.8174.8-164.153.9000111.1V19 R23 T339 N340 M345 L346 D347 R428 Y429V19-D343 HydrophobicContact CG1-CB 4.15Å; R23-D343 IonicContact CZ-OD1 3.11Å; R23-D343 IonicContact NE-OD1 3.92Å; R23-D343 VanDerWaalsContact NH1-CG 3.31Å; R23-D343 PolarHBondContact NH1-O 3.42Å; R23-D343 IonicContact NH1-OD1 3.77Å; R23-D343 PolarHBondContact NH1-OD1 3.2Å; R23-D343 IonicContact NH1-OD2 2.78Å; T339-D343 VanDerWaalsContact O-CB 3.28Å; T339-D343 WeakPolarHBondContact O-CB 3.28Å; T339-D343 PolarHBondContact O-N 2.92Å; N340-D343 PolarHBondContact O-N 3.34Å; D343-M345 VanDerWaalsContact C-N 3.3Å; D343-M345 PolarHBondContact O-N 3.34Å; D343-L346 PolarHBondContact O-N 3Å; D343-D347 PolarHBondContact O-N 2.9Å; D343-R428 IonicContact OD2-CZ 2.89Å; D343-R428 IonicContact OD2-NH1 2.79Å; D343-R428 PolarHBondContact OD2-NH1 3.35Å; D343-Y429 HydrophobicContact CB-CE2 3.99Å; D343-Y429 PolarHBondContact OD1-OH 2.81Å
344D96.2Very high94.1Very high0 Ų023 Ų230%012%0.123CC..Hα-helixtrans-66.3-33.2176.4-71.4-17.7000111.8Y210 N340 L346 D347 V348 D364 F365 Q425 R428Y210-D344 HydrophobicContact CE2-CB 4.14Å; N340-D344 WeakPolarHBondContact O-CB 3.35Å; N340-D344 PolarHBondContact O-N 2.8Å; D344-L346 VanDerWaalsContact C-N 3.34Å; D344-D347 WeakPolarHBondContact O-CB 3.39Å; D344-D347 PolarHBondContact O-N 3.49Å; D344-V348 WeakPolarHBondContact O-CG2 3.14Å; D344-V348 PolarHBondContact O-N 3.32Å; D344-D364 PolarHBondContact OD2-N 3.08Å; D344-F365 HydrophobicContact CB-CD2 3.82Å; D344-F365 HydrophobicContact CB-CE2 4.04Å; D344-Q425 VanDerWaalsContact CG-NE2 3.31Å; D344-Q425 PolarHBondContact OD1-NE2 3.23Å; D344-Q425 PolarHBondContact OD2-NE2 3.38Å; D344-R428 IonicContact OD1-CZ 3.07Å; D344-R428 IonicContact OD1-NH1 3.92Å; D344-R428 IonicContact OD1-NH2 3.05Å
345M97.2Very high94.4Very high0 Ų025.1 Ų25.10%014%0.135CC..Hα-helixtrans-63.4-42.7174.9173.7-155.67100110.4I16 W38 L198 F301 L303 L341 L342 D343 D347 V348 V349 F365I16-M345 HydrophobicContact CD1-CE 4.38Å; W38-M345 HydrophobicContact CE3-CE 4.32Å; W38-M345 HydrophobicContact CH2-CE 4.04Å; W38-M345 HydrophobicContact CH2-SD 3.97Å; W38-M345 HydrophobicContact CZ3-CE 3.43Å; W38-M345 VanDerWaalsContact CZ3-CE 3.43Å; W38-M345 HydrophobicContact CZ3-SD 3.79Å; L198-M345 HydrophobicContact CD1-CG 3.99Å; L198-M345 HydrophobicContact CD2-CB 4.46Å; L198-M345 HydrophobicContact CD2-CG 3.9Å; F301-M345 HydrophobicContact CE2-CE 4.25Å; F301-M345 HydrophobicContact CE2-SD 3.92Å; L303-M345 HydrophobicContact CB-SD 4.09Å; L303-M345 HydrophobicContact CD2-SD 3.93Å; L303-M345 HydrophobicContact CG-SD 4.43Å; L341-M345 WeakPolarHBondContact O-CB 3.34Å; L341-M345 PolarHBondContact O-N 3.44Å; L342-M345 HydrophobicContact CD2-CE 4.11Å; L342-M345 HydrophobicContact CD2-SD 4.25Å; L342-M345 PolarHBondContact O-N 3.04Å; D343-M345 VanDerWaalsContact C-N 3.3Å; D343-M345 PolarHBondContact O-N 3.34Å; M345-D347 VanDerWaalsContact C-N 3.29Å; M345-D347 PolarHBondContact O-N 3.39Å; M345-V348 WeakPolarHBondContact O-CB 3.33Å; M345-V348 PolarHBondContact O-N 3.48Å; M345-V348 VanDerWaalsContact O-N 3.16Å; M345-V349 WeakPolarHBondContact O-CG2 3.41Å; M345-V349 PolarHBondContact O-N 3.16Å; M345-F365 HydrophobicContact CB-CE2 3.72Å; M345-F365 HydrophobicContact CB-CZ 4Å
346L96.8Very high94.4Very high1 Ų128.3 Ų28.31%0.00516%0.158CC..Hα-helixtrans-66-33.2176.1-71.1170.9000111.7V19 L20 W25 F36 L342 D343 D344 V349 D350V19-L346 HydrophobicContact CG1-CD1 3.77Å; L20-L346 HydrophobicContact CD2-CD1 3.78Å; L20-L346 HydrophobicContact CD2-CD2 4.35Å; W25-L346 HydrophobicContact CH2-CB 4.48Å; W25-L346 HydrophobicContact CH2-CD1 4.34Å; W25-L346 HydrophobicContact CH2-CD2 3.73Å; W25-L346 HydrophobicContact CH2-CG 4.39Å; W25-L346 HydrophobicContact CZ3-CD1 4.5Å; W25-L346 HydrophobicContact CZ3-CD2 3.98Å; F36-L346 HydrophobicContact CD2-CD2 4.47Å; F36-L346 HydrophobicContact CE1-CD2 4.11Å; F36-L346 HydrophobicContact CE2-CD2 3.69Å; F36-L346 HydrophobicContact CZ-CD2 3.47Å; F36-L346 VanDerWaalsContact CZ-CD2 3.47Å; L342-L346 WeakPolarHBondContact O-CG 3.37Å; L342-L346 PolarHBondContact O-N 3.37Å; D343-L346 PolarHBondContact O-N 3Å; D344-L346 VanDerWaalsContact C-N 3.34Å; L346-V349 PolarHBondContact O-N 2.98Å; L346-D350 PolarHBondContact O-N 2.71Å
347D96.3Very high94.3Very high20 Ų2029 Ų2911%0.10717%0.174CC..Hα-helixtrans-61.9-41169.8-75-34.3000111.9R23 D343 D344 M345 D350 R354 V362 R428R23-D347 IonicContact CZ-OD1 3.49Å; R23-D347 IonicContact NH1-OD1 2.65Å; R23-D347 IonicContact NH2-OD1 3.84Å; R23-D347 PolarHBondContact NH2-OD1 2.89Å; R23-D347 IonicContact NH2-OD2 2.67Å; D343-D347 PolarHBondContact O-N 2.9Å; D344-D347 WeakPolarHBondContact O-CB 3.39Å; D344-D347 PolarHBondContact O-N 3.49Å; M345-D347 VanDerWaalsContact C-N 3.29Å; M345-D347 PolarHBondContact O-N 3.39Å; D347-D350 PolarHBondContact O-N 3.5Å; D347-R354 IonicContact OD1-CZ 3.83Å; D347-R354 IonicContact OD1-NH2 3.38Å; D347-R354 PolarHBondContact OD1-NH2 3.24Å; D347-V362 HydrophobicContact CB-CG1 3.55Å; D347-R428 IonicContact OD2-NH1 3.71Å
348V97.1Very high94.1Very high10 Ų1036.8 Ų36.86%0.06121%0.208CC..Hα-helixtrans-67.9-40.6175.9175.40000112.2L198 T200 W208 D344 M345 D350 V362 F365L198-V348 HydrophobicContact CD2-CB 3.73Å; L198-V348 HydrophobicContact CD2-CG1 3.53Å; L198-V348 HydrophobicContact CD2-CG2 4.22Å; T200-V348 HydrophobicContact CG2-CG1 3.88Å; W208-V348 HydrophobicContact CD2-CG1 3.78Å; W208-V348 HydrophobicContact CD2-CG2 4.39Å; W208-V348 HydrophobicContact CE3-CG1 4.37Å; W208-V348 HydrophobicContact CE3-CG2 4.25Å; W208-V348 HydrophobicContact CG-CG1 4.04Å; W208-V348 HydrophobicContact CZ2-CG1 3.97Å; D344-V348 WeakPolarHBondContact O-CG2 3.14Å; D344-V348 PolarHBondContact O-N 3.32Å; M345-V348 WeakPolarHBondContact O-CB 3.33Å; M345-V348 PolarHBondContact O-N 3.48Å; M345-V348 VanDerWaalsContact O-N 3.16Å; V348-D350 PolarHBondContact O-N 2.92Å; V348-V362 HydrophobicContact CG2-CB 3.7Å; V348-V362 HydrophobicContact CG2-CG1 3.88Å; V348-V362 HydrophobicContact CG2-CG2 4.47Å; V348-F365 HydrophobicContact CG2-CB 3.8Å; V348-F365 HydrophobicContact CG2-CD2 3.91Å; V348-F365 HydrophobicContact CG2-CG 3.99Å
349V96.2Very high94.1Very high11 Ų1138.6 Ų38.67%0.06722%0.217CC..Hα-helixtrans-66.9-28.3178.8175.40000111.2K58 F301 M345 L346 L351K58-V349 HydrophobicContact CB-CG1 4.1Å; K58-V349 HydrophobicContact CD-CG1 3.84Å; K58-V349 HydrophobicContact CG-CG1 3.61Å; F301-V349 HydrophobicContact CB-CG2 4.47Å; F301-V349 HydrophobicContact CD1-CG1 4.15Å; F301-V349 HydrophobicContact CD1-CG2 4.04Å; F301-V349 HydrophobicContact CD2-CG2 3.83Å; F301-V349 HydrophobicContact CE1-CG1 4.23Å; F301-V349 HydrophobicContact CE1-CG2 4.25Å; F301-V349 HydrophobicContact CE2-CG2 4.03Å; F301-V349 HydrophobicContact CG-CG2 3.83Å; F301-V349 HydrophobicContact CZ-CG2 4.24Å; M345-V349 WeakPolarHBondContact O-CG2 3.41Å; M345-V349 PolarHBondContact O-N 3.16Å; L346-V349 PolarHBondContact O-N 2.98Å; V349-L351 HydrophobicContact CB-CD1 4.31Å; V349-L351 HydrophobicContact CG1-CD1 3.49Å; V349-L351 VanDerWaalsContact CG1-CD1 3.49Å
350D95.1Very high93.9Very high35 Ų3542.5 Ų42.519%0.18723%0.233CC..THydrogen-bonded Turntrans56.150.8167.1-164.532.5000115.5L346 D347 V348 E352 G353 R354 L355L346-D350 PolarHBondContact O-N 2.71Å; D347-D350 PolarHBondContact O-N 3.5Å; V348-D350 PolarHBondContact O-N 2.92Å; D350-E352 PolarHBondContact O-N 2.65Å; D350-G353 PolarHBondContact O-N 3.42Å; D350-G353 PolarHBondContact OD1-N 3.48Å; D350-G353 VanDerWaalsContact OD1-N 3.08Å; D350-G353 WeakPolarHBondContact OD2-CA 3.2Å; D350-R354 PolarHBondContact OD1-N 3.05Å; D350-R354 PolarHBondContact OD2-N 3.4Å; D350-L355 HydrophobicContact CB-CB 4.41Å; D350-L355 HydrophobicContact CB-CD1 3.77Å; D350-L355 HydrophobicContact CB-CG 3.84Å; D350-L355 VanDerWaalsContact OD2-CB 3.3Å; D350-L355 WeakPolarHBondContact OD2-CB 3.4Å; D350-L355 PolarHBondContact OD2-N 3.21Å
351L92.8Very high93.8Very high33 Ų3345.1 Ų45.117%0.17324%0.242CC..THydrogen-bonded Turntrans-64.6-17.8171.7-76.199.5000113.1I6 W25 F36 K58 V349I6-L351 HydrophobicContact CD1-CB 3.53Å; I6-L351 HydrophobicContact CG1-CB 4.47Å; I6-L351 HydrophobicContact CG2-CD2 4.12Å; W25-L351 HydrophobicContact CH2-CB 4.33Å; W25-L351 HydrophobicContact CH2-CD1 3.84Å; W25-L351 HydrophobicContact CZ2-CB 4.43Å; W25-L351 HydrophobicContact CZ3-CD1 4.49Å; F36-L351 HydrophobicContact CB-CD2 3.77Å; F36-L351 HydrophobicContact CD2-CD1 3.6Å; F36-L351 HydrophobicContact CD2-CD2 4.11Å; F36-L351 HydrophobicContact CE2-CD1 4.13Å; F36-L351 HydrophobicContact CG-CD1 4.46Å; F36-L351 HydrophobicContact CG-CD2 4.41Å; K58-L351 HydrophobicContact CB-CD1 4.05Å; K58-L351 HydrophobicContact CB-CD2 4.19Å; K58-L351 HydrophobicContact CB-CG 4.28Å; K58-L351 HydrophobicContact CG-CD1 3.97Å; K58-L351 HydrophobicContact CG-CD2 4.32Å; K58-L351 HydrophobicContact CG-CG 3.98Å; V349-L351 HydrophobicContact CB-CD1 4.31Å; V349-L351 HydrophobicContact CG1-CD1 3.49Å; V349-L351 VanDerWaalsContact CG1-CD1 3.49Å
352E90.7Very high93.8Very high63 Ų6345.7 Ų45.729%0.29425%0.246SC..THydrogen-bonded Turntrans-93.7-3-176.5-64.8169.1136.700112.1I6 R23 W25 D350 R354I6-E352 HydrophobicContact CD1-CB 4.5Å; I6-E352 HydrophobicContact CD1-CG 3.3Å; R23-E352 IonicContact NE-OE2 2.8Å; R23-E352 IonicContact NH2-OE2 3.24Å; R23-E352 PolarHBondContact NH2-OE2 3.46Å; W25-E352 HydrophobicContact CZ2-CG 4.49Å; W25-E352 PolarHBondContact NE1-OE1 3.24Å; D350-E352 PolarHBondContact O-N 2.65Å; E352-R354 HydrophobicContact CB-CG 4.44Å; E352-R354 VanDerWaalsContact CB-NH1 3.33Å; E352-R354 PolarHBondContact O-N 3.42Å; E352-R354 IonicContact OE1-NH1 2.84Å; E352-R354 IonicContact OE2-CZ 3.92Å; E352-R354 IonicContact OE2-NH1 3.62Å; E352-R354 PolarHBondContact OE2-NH1 2.96Å; E352-R354 IonicContact OE2-NH2 2.85Å; E352-R354 PolarHBondContact OE2-NH2 2.74Å
353G91.1Very high93.6Very high61 Ų6146.7 Ų46.763%0.62926%0.256SS*.  trans64.335.3174.600000114.1D350D350-G353 PolarHBondContact O-N 3.42Å; D350-G353 PolarHBondContact OD1-N 3.48Å; D350-G353 VanDerWaalsContact OD1-N 3.08Å; D350-G353 WeakPolarHBondContact OD2-CA 3.2Å
354R90.8Very high93.5Very high124 Ų12446.4 Ų46.447%0.46826%0.255SS..  trans-86.1-22.4-179.4-73.8-163.7-69-81.9-9.7113.8D347 D350 E352D347-R354 IonicContact OD1-CZ 3.83Å; D347-R354 IonicContact OD1-NH2 3.38Å; D347-R354 PolarHBondContact OD1-NH2 3.24Å; D350-R354 PolarHBondContact OD1-N 3.05Å; D350-R354 PolarHBondContact OD2-N 3.4Å; E352-R354 HydrophobicContact CB-CG 4.44Å; E352-R354 VanDerWaalsContact CB-NH1 3.33Å; E352-R354 PolarHBondContact O-N 3.42Å; E352-R354 IonicContact OE1-NH1 2.84Å; E352-R354 IonicContact OE2-CZ 3.92Å; E352-R354 IonicContact OE2-NH1 3.62Å; E352-R354 PolarHBondContact OE2-NH1 2.96Å; E352-R354 IonicContact OE2-NH2 2.85Å; E352-R354 PolarHBondContact OE2-NH2 2.74Å
355L93.5Very high93.5Very high51 Ų5146.4 Ų46.427%0.26726%0.255SS..  trans-83.1146.8-175.7-57.5-175.3000111.4D350 E359 V362D350-L355 HydrophobicContact CB-CB 4.41Å; D350-L355 HydrophobicContact CB-CD1 3.77Å; D350-L355 HydrophobicContact CB-CG 3.84Å; D350-L355 VanDerWaalsContact OD2-CB 3.3Å; D350-L355 WeakPolarHBondContact OD2-CB 3.4Å; D350-L355 PolarHBondContact OD2-N 3.21Å; L355-E359 HydrophobicContact CD2-CG 4.11Å; L355-V362 HydrophobicContact CD1-CG2 4.01Å; L355-V362 HydrophobicContact CD2-CG1 4.14Å; L355-V362 HydrophobicContact CD2-CG2 3.76Å
356T91.8Very high93.5Very high99 Ų9946.4 Ų46.461%0.60726%0.255SS*.  trans-85.2-20.2175.366.20000112.7F358 E359T356-F358 PolarHBondContact OG1-N 3.37Å; T356-E359 WeakPolarHBondContact CB-OE1 3.43Å; T356-E359 PolarHBondContact N-OE1 2.68Å; T356-E359 PolarHBondContact N-OE2 2.91Å; T356-E359 VanDerWaalsContact OG1-CD 3.27Å; T356-E359 PolarHBondContact OG1-OE1 3.2Å; T356-E359 PolarHBondContact OG1-OE2 3.02Å
357G89Confident93.5Very high54 Ų5446.8 Ų46.856%0.55726%0.257SS*.SBendtrans94.9-4.9-176.200000114.3E359G357-E359 WeakPolarHBondContact CA-OE2 3.16Å; G357-E359 PolarHBondContact N-OE2 2.96Å
358F89.7Confident93.6Very high183 Ų18345.8 Ų45.880%0.80325%0.252SS*.  trans-104.12.3179.2-59.4-73.5000113.5T356 K360T356-F358 PolarHBondContact OG1-N 3.37Å; F358-K360 PolarHBondContact O-N 2.77Å
359E92.6Very high93.6Very high42 Ų4245.7 Ų45.720%0.19625%0.25CC..  trans-65.3120.5-176.5-6775.9-165.700111.1W208 L355 T356 G357 R361 V362W208-E359 WeakPolarHBondContact CH2-O 3.34Å; L355-E359 HydrophobicContact CD2-CG 4.11Å; T356-E359 WeakPolarHBondContact CB-OE1 3.43Å; T356-E359 PolarHBondContact N-OE1 2.68Å; T356-E359 PolarHBondContact N-OE2 2.91Å; T356-E359 VanDerWaalsContact OG1-CD 3.27Å; T356-E359 PolarHBondContact OG1-OE1 3.2Å; T356-E359 PolarHBondContact OG1-OE2 3.02Å; G357-E359 WeakPolarHBondContact CA-OE2 3.16Å; G357-E359 PolarHBondContact N-OE2 2.96Å; E359-R361 VanDerWaalsContact C-N 3.32Å; E359-V362 HydrophobicContact CB-CG2 3.68Å; E359-V362 HydrophobicContact CG-CG2 4.08Å
360K92.8Very high93.6Very high81 Ų8147.8 Ų47.835%0.35226%0.261SS..SBendtrans-85.3-10.5166.9-66.4-175176.6-174.80112.5F358 L367 I374 T377 N416F358-K360 PolarHBondContact O-N 2.77Å; K360-L367 PolarHBondContact O-N 2.95Å; K360-I374 HydrophobicContact CD-CG2 4.09Å; K360-I374 HydrophobicContact CG-CG2 4.21Å; K360-T377 HydrophobicContact CB-CG2 3.9Å; K360-T377 HydrophobicContact CD-CG2 3.83Å; K360-N416 PolarHBondContact O-ND2 3.41Å
361R92.9Very high93.6Very high69 Ų6951.4 Ų51.426%0.2628%0.28SS..EExtended strand (participates in β ladder)trans-149.3134.1178.7-175.6178.8-58.2145.519.3110.1R211 E359 G363 F365 D366R211-R361 VanDerWaalsContact CZ-CZ 3.49Å; E359-R361 VanDerWaalsContact C-N 3.32Å; R361-G363 WeakPolarHBondContact CG-O 3.23Å; R361-F365 VanDerWaalsContact CA-O 3.29Å; R361-F365 WeakPolarHBondContact CA-O 3.39Å; R361-F365 WeakPolarHBondContact CG-O 3.41Å; R361-D366 IonicContact CZ-OD1 3.71Å; R361-D366 IonicContact NE-OD1 3.64Å; R361-D366 PolarHBondContact NE-OD1 3.22Å; R361-D366 IonicContact NH2-OD1 3.39Å
362V94.4Very high93.6Very high11 Ų1150.4 Ų50.47%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-135.9117.4173178.30000107.1W208 D347 V348 L355 E359 D364 F365W208-V362 HydrophobicContact CH2-CG2 3.95Å; W208-V362 HydrophobicContact CZ3-CB 4.3Å; W208-V362 HydrophobicContact CZ3-CG2 3.91Å; D347-V362 HydrophobicContact CB-CG1 3.55Å; V348-V362 HydrophobicContact CG2-CB 3.7Å; V348-V362 HydrophobicContact CG2-CG1 3.88Å; V348-V362 HydrophobicContact CG2-CG2 4.47Å; L355-V362 HydrophobicContact CD1-CG2 4.01Å; L355-V362 HydrophobicContact CD2-CG1 4.14Å; L355-V362 HydrophobicContact CD2-CG2 3.76Å; E359-V362 HydrophobicContact CB-CG2 3.68Å; E359-V362 HydrophobicContact CG-CG2 4.08Å; V362-D364 PolarHBondContact O-N 2.75Å; V362-F365 PolarHBondContact N-O 3.31Å; V362-F365 WeakPolarHBondContact O-CB 3.4Å; V362-F365 PolarHBondContact O-N 3.46Å
363G92.8Very high93.7Very high22 Ų2248.5 Ų48.523%0.22727%0.271CS..THydrogen-bonded Turntrans54.9-131.2-167.100000111.6R361 Q425R361-G363 WeakPolarHBondContact CG-O 3.23Å; G363-Q425 VanDerWaalsContact C-NE2 3.26Å
364D94.3Very high93.8Very high4 Ų446.9 Ų46.92%0.02125%0.248CC..THydrogen-bonded Turntrans-9412.2173.2-77.8-22.4000113.8Y210 R211 D344 V362 S423Y210-D364 HydrophobicContact CD2-CB 4.01Å; Y210-D364 HydrophobicContact CE2-CB 3.46Å; Y210-D364 VanDerWaalsContact CE2-CB 3.46Å; R211-D364 HydrophobicContact CB-CB 4.29Å; R211-D364 VanDerWaalsContact CG-O 3.3Å; R211-D364 WeakPolarHBondContact CG-O 3.43Å; R211-D364 PolarHBondContact N-O 3.36Å; D344-D364 PolarHBondContact OD2-N 3.08Å; V362-D364 PolarHBondContact O-N 2.75Å; D364-S423 PolarHBondContact OD1-OG 3.03Å; D364-S423 VanDerWaalsContact OD1-OG 3.05Å; D364-S423 WeakPolarHBondContact OD2-CB 3.45Å; D364-S423 PolarHBondContact OD2-OG 2.85Å
365F96.8Very high93.8Very high0 Ų043.3 Ų43.30%024%0.24CC..EExtended strand (participates in β ladder)trans-87.3126166.6-79.1-81.8000111L198 W208 V209 Y210 L303 L341 D344 M345 V348 R361 V362L198-F365 HydrophobicContact CB-CD1 4.17Å; L198-F365 HydrophobicContact CB-CE1 3.58Å; L198-F365 HydrophobicContact CB-CZ 4.15Å; L198-F365 HydrophobicContact CD2-CE1 4.26Å; L198-F365 HydrophobicContact CD2-CZ 4.32Å; W208-F365 HydrophobicContact CB-CB 4.22Å; W208-F365 HydrophobicContact CB-CD1 3.76Å; W208-F365 HydrophobicContact CB-CG 4.34Å; W208-F365 HydrophobicContact CE3-CB 4.05Å; V209-F365 WeakPolarHBondContact O-CA 3.49Å; Y210-F365 HydrophobicContact CD2-CD1 4.16Å; Y210-F365 AromaticContact CD2-CD2 3.64Å; Y210-F365 HydrophobicContact CD2-CD2 3.64Å; Y210-F365 HydrophobicContact CD2-CE1 4.08Å; Y210-F365 AromaticContact CD2-CE2 3.5Å; Y210-F365 HydrophobicContact CD2-CE2 3.5Å; Y210-F365 VanDerWaalsContact CD2-CE2 3.5Å; Y210-F365 AromaticContact CD2-CG 3.97Å; Y210-F365 HydrophobicContact CD2-CG 3.97Å; Y210-F365 AromaticContact CD2-CZ 3.76Å; Y210-F365 HydrophobicContact CD2-CZ 3.76Å; Y210-F365 HydrophobicContact CE2-CD2 4.21Å; Y210-F365 HydrophobicContact CE2-CE2 4.06Å; Y210-F365 HydrophobicContact CG-CE1 4.32Å; Y210-F365 HydrophobicContact CG-CE2 4.39Å; Y210-F365 HydrophobicContact CG-CZ 4.22Å; L303-F365 HydrophobicContact CD1-CZ 4.21Å; L341-F365 HydrophobicContact CD1-CE1 4.32Å; L341-F365 HydrophobicContact CD1-CE2 4Å; L341-F365 HydrophobicContact CD1-CZ 3.49Å; L341-F365 VanDerWaalsContact CD1-CZ 3.49Å; L341-F365 WeakPolarHBondContact O-CE2 3.39Å; D344-F365 HydrophobicContact CB-CD2 3.82Å; D344-F365 HydrophobicContact CB-CE2 4.04Å; M345-F365 HydrophobicContact CB-CE2 3.72Å; M345-F365 HydrophobicContact CB-CZ 4Å; V348-F365 HydrophobicContact CG2-CB 3.8Å; V348-F365 HydrophobicContact CG2-CD2 3.91Å; V348-F365 HydrophobicContact CG2-CG 3.99Å; R361-F365 VanDerWaalsContact CA-O 3.29Å; R361-F365 WeakPolarHBondContact CA-O 3.39Å; R361-F365 WeakPolarHBondContact CG-O 3.41Å; V362-F365 PolarHBondContact N-O 3.31Å; V362-F365 WeakPolarHBondContact O-CB 3.4Å; V362-F365 PolarHBondContact O-N 3.46Å
366D96Very high93.5Very high0 Ų041 Ų410%023%0.229CC..EExtended strand (participates in β ladder)trans-100.6131.4168-56.9-67.2000110.2W208 V209 R211 R361 I368 N416 F418W208-D366 CarbonylContact C-O 3.46Å; W208-D366 VanDerWaalsContact CA-O 3.28Å; W208-D366 WeakPolarHBondContact CA-O 3.36Å; V209-D366 PolarHBondContact N-O 3.03Å; V209-D366 PolarHBondContact O-N 3.2Å; R211-D366 WeakPolarHBondContact CG-OD2 3.36Å; R211-D366 IonicContact CZ-OD1 3.59Å; R211-D366 IonicContact CZ-OD2 2.83Å; R211-D366 IonicContact NE-OD1 2.68Å; R211-D366 PolarHBondContact NE-OD1 3.49Å; R211-D366 VanDerWaalsContact NE-OD1 3.16Å; R211-D366 IonicContact NE-OD2 3.64Å; R211-D366 PolarHBondContact NE-OD2 3.21Å; R211-D366 IonicContact NH2-OD1 3.64Å; R211-D366 PolarHBondContact NH2-OD1 3.14Å; R211-D366 IonicContact NH2-OD2 3.86Å; R211-D366 PolarHBondContact NH2-OD2 2.53Å; R361-D366 IonicContact CZ-OD1 3.71Å; R361-D366 IonicContact NE-OD1 3.64Å; R361-D366 PolarHBondContact NE-OD1 3.22Å; R361-D366 IonicContact NH2-OD1 3.39Å; D366-I368 PolarHBondContact O-N 2.88Å; D366-N416 WeakPolarHBondContact CB-O 3.32Å; D366-F418 WeakPolarHBondContact OD2-CB 3.25Å; D366-F418 WeakPolarHBondContact OD2-CD2 3.45Å; D366-F418 PolarHBondContact OD2-N 2.83Å
367L97.5Very high92.8Very high9 Ų937.3 Ų37.35%0.04721%0.206CC..EExtended strand (participates in β ladder)trans-73.4115.2172.3-179.969000108.5K206 W208 K360 W369 D370 I374 N416K206-L367 HydrophobicContact CD-CD1 4.26Å; K206-L367 HydrophobicContact CG-CD1 3.78Å; W208-L367 HydrophobicContact CD2-CB 4.07Å; W208-L367 HydrophobicContact CD2-CD1 3.88Å; W208-L367 HydrophobicContact CE3-CB 3.69Å; W208-L367 HydrophobicContact CE3-CD1 4.38Å; W208-L367 HydrophobicContact CG-CD1 4.32Å; W208-L367 HydrophobicContact CH2-CB 3.93Å; W208-L367 HydrophobicContact CH2-CD1 4.3Å; W208-L367 HydrophobicContact CH2-CG 4.47Å; W208-L367 HydrophobicContact CZ2-CB 4.28Å; W208-L367 HydrophobicContact CZ2-CD1 3.79Å; W208-L367 HydrophobicContact CZ2-CG 4.42Å; W208-L367 HydrophobicContact CZ3-CB 3.63Å; K360-L367 PolarHBondContact O-N 2.95Å; L367-W369 WeakPolarHBondContact CD1-O 3.42Å; L367-D370 HydrophobicContact CD2-CB 4.27Å; L367-I374 HydrophobicContact CD2-CG1 4.05Å; L367-I374 HydrophobicContact CG-CG1 3.99Å; L367-N416 WeakPolarHBondContact O-CB 3.34Å; L367-N416 PolarHBondContact O-ND2 3.43Å
368I96.9Very high91.7Very high0 Ų038.2 Ų38.20%020%0.204CC..EExtended strand (participates in β ladder)trans-104.1-20.6-179.165.1157.7000112.7V207 V209 F283 I284 D366 I374 L415 N416V207-I368 HydrophobicContact CB-CG1 4.08Å; V207-I368 HydrophobicContact CG1-CD1 4.08Å; V207-I368 HydrophobicContact CG1-CG1 4.02Å; V207-I368 WeakPolarHBondContact O-CG1 3.16Å; V207-I368 PolarHBondContact O-N 3.09Å; V209-I368 HydrophobicContact CB-CG2 4.16Å; V209-I368 HydrophobicContact CG2-CD1 3.46Å; V209-I368 VanDerWaalsContact CG2-CD1 3.46Å; V209-I368 HydrophobicContact CG2-CG1 3.92Å; V209-I368 HydrophobicContact CG2-CG2 3.93Å; F283-I368 HydrophobicContact CB-CD1 4.47Å; F283-I368 HydrophobicContact CD2-CD1 4.41Å; I284-I368 HydrophobicContact CD1-CD1 3.69Å; I284-I368 HydrophobicContact CD1-CG1 4.31Å; I284-I368 HydrophobicContact CG1-CD1 4.29Å; D366-I368 PolarHBondContact O-N 2.88Å; I368-I374 PolarHBondContact O-N 3.29Å; I368-L415 HydrophobicContact CB-CB 4.18Å; I368-L415 HydrophobicContact CB-CD1 4Å; I368-L415 HydrophobicContact CD1-CD1 4Å; I368-L415 HydrophobicContact CG1-CD1 4.43Å; I368-N416 WeakPolarHBondContact CG2-O 3.46Å
369W97.5Very high90.6Very high7 Ų735.2 Ų35.23%0.02720%0.196CC..EExtended strand (participates in β ladder)trans-148.7128.1-175.4-164.7-82.7000111.7L205 K206 V207 I284 L367 G372 P373 V406 L412L205-W369 VanDerWaalsContact O-CD1 3.27Å; K206-W369 CarbonylContact C-O 3.59Å; K206-W369 WeakPolarHBondContact CA-O 3.28Å; V207-W369 HydrophobicContact CB-CB 3.82Å; V207-W369 HydrophobicContact CG2-CB 3.88Å; V207-W369 HydrophobicContact CG2-CG 4.34Å; V207-W369 PolarHBondContact N-O 3.12Å; V207-W369 PolarHBondContact O-N 3.12Å; I284-W369 HydrophobicContact CD1-CB 3.85Å; I284-W369 HydrophobicContact CD1-CD2 3.95Å; I284-W369 HydrophobicContact CD1-CE3 3.64Å; I284-W369 HydrophobicContact CD1-CG 4.05Å; I284-W369 HydrophobicContact CG1-CE3 3.95Å; I284-W369 HydrophobicContact CG1-CZ3 4.5Å; I284-W369 HydrophobicContact CG2-CD2 4.45Å; I284-W369 HydrophobicContact CG2-CE3 3.87Å; I284-W369 HydrophobicContact CG2-CH2 4.36Å; I284-W369 HydrophobicContact CG2-CZ3 3.82Å; L367-W369 WeakPolarHBondContact CD1-O 3.42Å; W369-G372 CarbonylContact C-O 3.51Å; W369-G372 VanDerWaalsContact CA-O 3.22Å; W369-G372 WeakPolarHBondContact CA-O 3.45Å; W369-G372 VanDerWaalsContact CZ2-CA 3.44Å; W369-G372 VanDerWaalsContact NE1-N 3.18Å; W369-P373 HydrophobicContact CE3-CB 4.2Å; W369-P373 HydrophobicContact CH2-CB 4.47Å; W369-P373 HydrophobicContact CH2-CG 4.45Å; W369-P373 HydrophobicContact CZ3-CB 3.77Å; W369-P373 HydrophobicContact CZ3-CG 4.22Å; W369-V406 HydrophobicContact CH2-CB 3.76Å; W369-V406 HydrophobicContact CH2-CG1 3.17Å; W369-V406 HydrophobicContact CH2-CG2 3.29Å; W369-V406 HydrophobicContact CZ2-CG1 4.19Å; W369-V406 HydrophobicContact CZ2-CG2 3.72Å; W369-V406 HydrophobicContact CZ3-CB 4.46Å; W369-V406 HydrophobicContact CZ3-CG1 3.44Å; W369-V406 VanDerWaalsContact CZ3-CG1 3.44Å; W369-V406 HydrophobicContact CZ3-CG2 4.39Å; W369-L412 HydrophobicContact CZ3-CD1 4.12Å
370D96.3Very high89.2Confident56 Ų5634.6 Ų34.630%0.29920%0.195SC..EExtended strand (participates in β ladder)trans-141.791.3170.8-166.95.8000109.4K206 L367 G372 I374K206-D370 WeakPolarHBondContact CE-OD1 3.4Å; K206-D370 WeakPolarHBondContact CE-OD2 3.2Å; K206-D370 IonicContact NZ-OD1 3.94Å; K206-D370 IonicContact NZ-OD2 3.91Å; K206-D370 PolarHBondContact NZ-OD2 2.91Å; L367-D370 HydrophobicContact CD2-CB 4.27Å; D370-G372 PolarHBondContact N-O 3.15Å; D370-G372 PolarHBondContact O-N 3Å; D370-I374 HydrophobicContact CB-CD1 3.95Å; D370-I374 HydrophobicContact CB-CG1 4.27Å
371D94.9Very high87.8Confident111 Ų11136.1 Ų36.159%0.59421%0.211SC*.SBendtrans49.816-166.3-145.332.1000115.4P204 L205P204-D371 HydrophobicContact CB-CB 3.65Å; P204-D371 WeakPolarHBondContact CB-OD1 3.33Å; L205-D371 PolarHBondContact O-N 3.45Å
372G93.3Very high86.2Confident11 Ų1135.4 Ų35.411%0.11321%0.211CC..SBendtrans172.1163.6-170.700000110.3W369 D370 I374W369-G372 CarbonylContact C-O 3.51Å; W369-G372 VanDerWaalsContact CA-O 3.22Å; W369-G372 WeakPolarHBondContact CA-O 3.45Å; W369-G372 VanDerWaalsContact CZ2-CA 3.44Å; W369-G372 VanDerWaalsContact NE1-N 3.18Å; D370-G372 PolarHBondContact N-O 3.15Å; D370-G372 PolarHBondContact O-N 3Å; G372-I374 PolarHBondContact O-N 3.08Å
373P93.9Very high84.8Confident24 Ų2434.9 Ų34.916%0.15621%0.208CC..BIsolated β-bridgetrans-64.3132.1177.829.1-31.9000110.8W369 L404 P413 L415W369-P373 HydrophobicContact CE3-CB 4.2Å; W369-P373 HydrophobicContact CH2-CB 4.47Å; W369-P373 HydrophobicContact CH2-CG 4.45Å; W369-P373 HydrophobicContact CZ3-CB 3.77Å; W369-P373 HydrophobicContact CZ3-CG 4.22Å; P373-L404 HydrophobicContact CG-CD2 3.46Å; P373-L404 VanDerWaalsContact CG-CD2 3.46Å; P373-P413 HydrophobicContact CB-CG 3.72Å; P373-P413 HydrophobicContact CG-CG 3.75Å; P373-L415 HydrophobicContact CB-CD2 3.38Å
374I93.1Very high83.6Confident27 Ų2741.8 Ų41.814%0.13823%0.227CC..PPolyproline II helixtrans-93.5121.4172.1-61.8-54.9000109.1K360 L367 I368 D370 G372 L415 N416K360-I374 HydrophobicContact CD-CG2 4.09Å; K360-I374 HydrophobicContact CG-CG2 4.21Å; L367-I374 HydrophobicContact CD2-CG1 4.05Å; L367-I374 HydrophobicContact CG-CG1 3.99Å; I368-I374 PolarHBondContact O-N 3.29Å; D370-I374 HydrophobicContact CB-CD1 3.95Å; D370-I374 HydrophobicContact CB-CG1 4.27Å; G372-I374 PolarHBondContact O-N 3.08Å; I374-L415 CarbonylContact O-C 3.54Å; I374-L415 WeakPolarHBondContact O-CA 3.31Å; I374-N416 HydrophobicContact CB-CB 4.36Å; I374-N416 HydrophobicContact CG2-CB 3.85Å; I374-N416 WeakPolarHBondContact O-CB 3.35Å; I374-N416 PolarHBondContact O-N 3.05Å
375P90.2Very high82.4Confident48 Ų4845.8 Ų45.831%0.31225%0.248SC..PPolyproline II helixtrans-73.2152.8177.830.4-34.9000111.4I386P375-I386 HydrophobicContact CB-CG2 4.42Å
376P86.1Confident81Confident4 Ų447.9 Ų47.93%0.02626%0.259CS..PPolyproline II helixtrans-47.1146.3174.8-27.332.6000113.7I386 R414P376-I386 HydrophobicContact CG-CD1 4.1Å; P376-R414 WeakPolarHBondContact CD-O 3.42Å; P376-R414 HydrophobicContact CG-CG 3.86Å
377T77.7Confident79.8Confident21 Ų2151.2 Ų51.213%0.12928%0.277CS..PPolyproline II helixtrans-64.9143.9176.1500000112.2K360 D379 T380 G383 N416K360-T377 HydrophobicContact CB-CG2 3.9Å; K360-T377 HydrophobicContact CD-CG2 3.83Å; T377-D379 WeakPolarHBondContact CB-OD1 3.39Å; T377-D379 PolarHBondContact O-N 3.1Å; T377-D379 PolarHBondContact OG1-OD1 3.4Å; T377-T380 PolarHBondContact O-N 3.07Å; T377-T380 VanDerWaalsContact O-N 3.14Å; T377-T380 PolarHBondContact O-OG1 3.31Å; T377-G383 WeakPolarHBondContact O-CA 3.28Å; T377-N416 PolarHBondContact N-OD1 2.96Å
378S66Low78.5Confident73 Ų7352 Ų5251%0.5129%0.285SS..THydrogen-bonded Turntrans-68.5-15.3-173.861.90000114.9T380 D387S378-T380 PolarHBondContact O-N 3.23Å; S378-D387 WeakPolarHBondContact CB-OD2 3.28Å
379D66.8Low77.3Confident119 Ų11956.6 Ų56.664%0.63631%0.309SS*.THydrogen-bonded Turntrans-69.1-4.217165.4-26.4000113.1T377T377-D379 WeakPolarHBondContact CB-OD1 3.39Å; T377-D379 PolarHBondContact O-N 3.1Å; T377-D379 PolarHBondContact OG1-OD1 3.4Å
380T62.6Low76Confident29 Ų2960.1 Ų60.118%0.17833%0.328CS..SBendtrans-104.9149.4173.268.40000111.1T377 S378 E382 G383 W384 F418T377-T380 PolarHBondContact O-N 3.07Å; T377-T380 VanDerWaalsContact O-N 3.14Å; T377-T380 PolarHBondContact O-OG1 3.31Å; S378-T380 PolarHBondContact O-N 3.23Å; T380-E382 PolarHBondContact O-N 3.11Å; T380-E382 VanDerWaalsContact O-N 3.1Å; T380-G383 PolarHBondContact O-N 3.35Å; T380-G383 VanDerWaalsContact O-N 3.1Å; T380-G383 PolarHBondContact OG1-N 2.96Å; T380-W384 PolarHBondContact O-N 3.13Å; T380-F418 HydrophobicContact CG2-CE1 3.76Å; T380-F418 HydrophobicContact CG2-CZ 3.67Å
381T63Low74.9Confident114 Ų11463.3 Ų63.370%0.69934%0.344SS*.Hα-helixtrans-51.4-36.8175.3-47.70000111.8L385T381-L385 VanDerWaalsContact O-CG 3.28Å; T381-L385 WeakPolarHBondContact O-CG 3.41Å; T381-L385 PolarHBondContact O-N 3.29Å; T381-L385 VanDerWaalsContact O-N 3.13Å
382E61.3Low73.7Confident54 Ų5462.5 Ų62.525%0.25234%0.339SS..Hα-helixtrans-72.8-45178.4-63.3-172.8140.300112.8Y269 T380 W384 L385 I386 R414Y269-E382 PolarHBondContact OH-OE1 3.22Å; T380-E382 PolarHBondContact O-N 3.11Å; T380-E382 VanDerWaalsContact O-N 3.1Å; E382-W384 VanDerWaalsContact C-N 3.29Å; E382-W384 PolarHBondContact O-N 3.02Å; E382-L385 WeakPolarHBondContact O-CB 3.41Å; E382-L385 PolarHBondContact O-N 2.95Å; E382-L385 VanDerWaalsContact O-N 3.16Å; E382-I386 WeakPolarHBondContact O-CG1 3.48Å; E382-I386 PolarHBondContact O-N 2.73Å; E382-R414 IonicContact OE2-NE 3.61Å
383G63.3Low72.3Confident0 Ų066.2 Ų66.20%036%0.356CS..Hα-helixtrans-62.2-39.3176.300000111.9T377 T380 L385 I386 D387T377-G383 WeakPolarHBondContact O-CA 3.28Å; T380-G383 PolarHBondContact O-N 3.35Å; T380-G383 VanDerWaalsContact O-N 3.1Å; T380-G383 PolarHBondContact OG1-N 2.96Å; G383-L385 PolarHBondContact O-N 2.76Å; G383-I386 PolarHBondContact O-N 2.88Å; G383-D387 WeakPolarHBondContact O-CB 3.34Å; G383-D387 PolarHBondContact O-N 2.62Å
384W68.8Low70.4Confident166 Ų16671.6 Ų71.663%0.62938%0.383SS*.Hα-helixtrans-61.3-41.8172.5-176.681.9000112.5T380 E382 D387 A388T380-W384 PolarHBondContact O-N 3.13Å; E382-W384 VanDerWaalsContact C-N 3.29Å; E382-W384 PolarHBondContact O-N 3.02Å; W384-D387 PolarHBondContact O-N 3.11Å; W384-A388 VanDerWaalsContact O-CB 3.29Å; W384-A388 WeakPolarHBondContact O-CB 3.21Å; W384-A388 PolarHBondContact O-N 2.67Å
385L69Low68.3Low88 Ų8874.7 Ų74.746%0.46141%0.406SS..Hα-helixtrans-64.5-41.3175.7-75.5168.2000112.3T381 E382 G383 A388 L389T381-L385 VanDerWaalsContact O-CG 3.28Å; T381-L385 WeakPolarHBondContact O-CG 3.41Å; T381-L385 PolarHBondContact O-N 3.29Å; T381-L385 VanDerWaalsContact O-N 3.13Å; E382-L385 WeakPolarHBondContact O-CB 3.41Å; E382-L385 PolarHBondContact O-N 2.95Å; E382-L385 VanDerWaalsContact O-N 3.16Å; G383-L385 PolarHBondContact O-N 2.76Å; L385-A388 PolarHBondContact O-N 3.49Å; L385-L389 WeakPolarHBondContact O-CB 3.38Å; L385-L389 VanDerWaalsContact O-CG 3.27Å; L385-L389 WeakPolarHBondContact O-CG 3.15Å; L385-L389 PolarHBondContact O-N 2.66Å
386I66.6Low66.2Low45 Ų4578.9 Ų78.923%0.23143%0.426CS..Hα-helixtrans-65.2-45.2177.1-69.5168.2000110.6P375 P376 E382 G383 A388 L389 N390P375-I386 HydrophobicContact CB-CG2 4.42Å; P376-I386 HydrophobicContact CG-CD1 4.1Å; E382-I386 WeakPolarHBondContact O-CG1 3.48Å; E382-I386 PolarHBondContact O-N 2.73Å; G383-I386 PolarHBondContact O-N 2.88Å; I386-A388 VanDerWaalsContact C-N 3.35Å; I386-A388 PolarHBondContact O-N 3.02Å; I386-L389 PolarHBondContact O-N 3.48Å; I386-N390 WeakPolarHBondContact O-CB 3.44Å; I386-N390 PolarHBondContact O-ND2 2.91Å; I386-N390 VanDerWaalsContact O-CG 3.27Å; I386-N390 PolarHBondContact O-N 3.47Å
387D70.9Confident64Low69 Ų6982.6 Ų82.637%0.36945%0.452SS..Hα-helixtrans-62.6-43.2177.1-74.4-15.4000111.2S378 G383 W384 N390 I391S378-D387 WeakPolarHBondContact CB-OD2 3.28Å; G383-D387 WeakPolarHBondContact O-CB 3.34Å; G383-D387 PolarHBondContact O-N 2.62Å; W384-D387 PolarHBondContact O-N 3.11Å; D387-N390 PolarHBondContact O-N 2.93Å; D387-I391 WeakPolarHBondContact O-CD1 3.22Å; D387-I391 VanDerWaalsContact O-CG1 3.24Å; D387-I391 WeakPolarHBondContact O-CG1 3.36Å; D387-I391 PolarHBondContact O-N 3.45Å
388A71.5Confident62.1Low27 Ų2790.8 Ų90.822%0.22349%0.489CS..Hα-helixtrans-60.9-45.1174.900000112W384 L385 I386 I391 I392W384-A388 VanDerWaalsContact O-CB 3.29Å; W384-A388 WeakPolarHBondContact O-CB 3.21Å; W384-A388 PolarHBondContact O-N 2.67Å; L385-A388 PolarHBondContact O-N 3.49Å; I386-A388 VanDerWaalsContact C-N 3.35Å; I386-A388 PolarHBondContact O-N 3.02Å; A388-I391 PolarHBondContact O-N 2.65Å; A388-I392 VanDerWaalsContact O-CG1 3.24Å; A388-I392 PolarHBondContact O-N 3.08Å; A388-I392 WeakPolarHBondContact O-CG1 3.31Å; A388-I392 WeakPolarHBondContact O-CD1 3.32Å
389L70Confident60.6Low95 Ų9598.6 Ų98.650%0.49751%0.507SS..Hα-helixtrans-62.9-40.9175.9-76.2169.3000112L385 I386 I392 N393L385-L389 WeakPolarHBondContact O-CB 3.38Å; L385-L389 VanDerWaalsContact O-CG 3.27Å; L385-L389 WeakPolarHBondContact O-CG 3.15Å; L385-L389 PolarHBondContact O-N 2.66Å; I386-L389 PolarHBondContact O-N 3.48Å; L389-I392 PolarHBondContact O-N 2.99Å; L389-N393 VanDerWaalsContact O-CB 3.29Å; L389-N393 WeakPolarHBondContact O-CB 3.31Å; L389-N393 PolarHBondContact O-N 3.36Å; L389-N393 PolarHBondContact O-ND2 3.44Å
390N70.6Confident58.8Low82 Ų8296.5 Ų96.544%0.43950%0.502SS..Hα-helixtrans-64-40.9176.3-74.9-25.5000111.5I386 D387 I392 N393 L394I386-N390 WeakPolarHBondContact O-CB 3.44Å; I386-N390 PolarHBondContact O-ND2 2.91Å; I386-N390 VanDerWaalsContact O-CG 3.27Å; I386-N390 PolarHBondContact O-N 3.47Å; D387-N390 PolarHBondContact O-N 2.93Å; N390-I392 VanDerWaalsContact C-N 3.35Å; N390-N393 PolarHBondContact O-N 3.48Å; N390-L394 WeakPolarHBondContact O-CB 3.32Å; N390-L394 WeakPolarHBondContact O-CD1 3.46Å; N390-L394 WeakPolarHBondContact O-CG 3.43Å; N390-L394 PolarHBondContact O-N 3.02Å; N390-L394 VanDerWaalsContact O-CB 3.29Å
391I73.9Confident57.4Low122 Ų122101 Ų10163%0.62654%0.535SS*.Hα-helixtrans-62.2-43.3174.7-68.8164.2000110.7D387 A388D387-I391 WeakPolarHBondContact O-CD1 3.22Å; D387-I391 VanDerWaalsContact O-CG1 3.24Å; D387-I391 WeakPolarHBondContact O-CG1 3.36Å; D387-I391 PolarHBondContact O-N 3.45Å; A388-I391 PolarHBondContact O-N 2.65Å
392I70Confident56.1Low95 Ų95102.6 Ų102.649%0.48753%0.534SS..Hα-helixtrans-65.8-43.5176.9-65.7162.3000110.5A388 L389 N390 S395A388-I392 VanDerWaalsContact O-CG1 3.24Å; A388-I392 PolarHBondContact O-N 3.08Å; A388-I392 WeakPolarHBondContact O-CG1 3.31Å; A388-I392 WeakPolarHBondContact O-CD1 3.32Å; L389-I392 PolarHBondContact O-N 2.99Å; N390-I392 VanDerWaalsContact C-N 3.35Å; I392-S395 PolarHBondContact O-N 2.84Å; I392-S395 PolarHBondContact O-OG 2.99Å
393N62.3Low55Low89 Ų89103.6 Ų103.648%0.47655%0.547SS..Hα-helixtrans-74-29.3-177.8-71.8-22000113.2L389 N390 S395 N396 S397L389-N393 VanDerWaalsContact O-CB 3.29Å; L389-N393 WeakPolarHBondContact O-CB 3.31Å; L389-N393 PolarHBondContact O-N 3.36Å; L389-N393 PolarHBondContact O-ND2 3.44Å; N390-N393 PolarHBondContact O-N 3.48Å; N393-S395 PolarHBondContact O-N 3.41Å; N393-N396 CarbonylContact O-C 3.41Å; N393-N396 PolarHBondContact O-N 3.02Å; N393-S397 PolarHBondContact O-N 3.1Å
394L54.7Low54Low137 Ų137109.5 Ų109.572%0.71758%0.578SS**Hα-helixtrans-60.5-26.9170.9-87.8156.3000112.1N390 N396N390-L394 WeakPolarHBondContact O-CB 3.32Å; N390-L394 WeakPolarHBondContact O-CD1 3.46Å; N390-L394 WeakPolarHBondContact O-CG 3.43Å; N390-L394 PolarHBondContact O-N 3.02Å; N390-L394 VanDerWaalsContact O-CB 3.29Å; L394-N396 PolarHBondContact O-N 3.24Å
395S50.1Low53.3Low91 Ų91105.9 Ų105.964%0.63657%0.568SS**THydrogen-bonded Turntrans-74.6-9.9170.968.70000114.5I392 N393I392-S395 PolarHBondContact O-N 2.84Å; I392-S395 PolarHBondContact O-OG 2.99Å; N393-S395 PolarHBondContact O-N 3.41Å
396N45.5Very low52.7Low136 Ų136102.6 Ų102.673%0.72755%0.551SS**THydrogen-bonded Turntrans-127.37.5-171.4-84.3-20.9000115.9N393 L394N393-N396 CarbonylContact O-C 3.41Å; N393-N396 PolarHBondContact O-N 3.02Å; L394-N396 PolarHBondContact O-N 3.24Å
397S39.7Very low52.4Low82 Ų82100.5 Ų100.557%0.57354%0.54SS*.  trans-148.2115.5178.7-172.50000115N393 R399N393-S397 PolarHBondContact O-N 3.1Å; S397-R399 PolarHBondContact O-N 2.94Å
398E38.5Very low52Low193 Ų19397.4 Ų97.490%0.90253%0.525SS*.  trans-69.6104.9158.5-71.8-175153.800109.5S400E398-S400 PolarHBondContact O-N 2.95Å
399R32.7Very low51.2Low238 Ų238101 Ų10190%0.89855%0.546SS*.  trans-0.393.4161.9-62178.2-178.4-170.8-0.4116.4S397S397-R399 PolarHBondContact O-N 2.94Å
400S30.7Very low51Low74 Ų74104.2 Ų104.252%0.51756%0.564SS.*  trans-84.5123.1140.955.20000107.8E398 E402E398-S400 PolarHBondContact O-N 2.95Å; S400-E402 PolarHBondContact O-N 3.31Å; S400-E402 PolarHBondContact OG-OE1 3.19Å
401S33Very low51.3Low124 Ų124101.3 Ų101.387%0.86755%0.553SS**  trans-68.662.9165.9-44.70000108.6S403S401-S403 PolarHBondContact O-N 3.29Å
402E35.9Very low51.8Low148 Ų14895.8 Ų95.869%0.69253%0.525SS*.  trans-63.3111173-83.8174.5-164.400106.7S400 L404S400-E402 PolarHBondContact O-N 3.31Å; S400-E402 PolarHBondContact OG-OE1 3.19Å; E402-L404 PolarHBondContact O-N 3.16Å
403S37.6Very low52.6Low74 Ų7494.3 Ų94.352%0.51752%0.521SS..  trans-42.4119.4165.337.70000107.2S401 H405S401-S403 PolarHBondContact O-N 3.29Å; S403-H405 PolarHBondContact OG-NE2 3.1Å; S403-H405 VanDerWaalsContact O-CG 3.24Å; S403-H405 PolarHBondContact OG-CE1 3.37Å; S403-H405 PolarHBondContact O-CD2 3.37Å; S403-H405 PolarHBondContact O-N 3.17Å
404L42.7Very low53.8Low124 Ų12492.7 Ų92.765%0.64951%0.509SS*.  trans-65.485.4-174.3-136.7100.4000108.1P373 E402 V406P373-L404 HydrophobicContact CG-CD2 3.46Å; P373-L404 VanDerWaalsContact CG-CD2 3.46Å; E402-L404 PolarHBondContact O-N 3.16Å; L404-V406 PolarHBondContact O-N 2.78Å
405H52.6Low55.6Low91 Ų9186.1 Ų86.142%0.42147%0.474SS..  trans-73.497.5-176.3-67.6-64.1000106.9Y89 S403 F407 G408Y89-H405 HydrophobicContact CE1-CB 3.99Å; Y89-H405 AromaticContact CE1-CG 3.77Å; Y89-H405 AromaticContact CE1-ND1 3.67Å; Y89-H405 AromaticContact CZ-ND1 3.58Å; Y89-H405 PolarHBondContact OH-ND1 3.46Å; S403-H405 PolarHBondContact OG-NE2 3.1Å; S403-H405 VanDerWaalsContact O-CG 3.24Å; S403-H405 PolarHBondContact OG-CE1 3.37Å; S403-H405 PolarHBondContact O-CD2 3.37Å; S403-H405 PolarHBondContact O-N 3.17Å; H405-F407 PolarHBondContact O-N 3Å; H405-F407 VanDerWaalsContact O-N 3.14Å; H405-G408 PolarHBondContact O-N 3.34Å
406V57.1Low57.7Low19 Ų1981.8 Ų81.812%0.11544%0.444CS..THydrogen-bonded Turntrans-50.6-40-172.2-174.80000113.5I284 L288 W369 L404 L412I284-V406 HydrophobicContact CG2-CG1 3.85Å; L288-V406 HydrophobicContact CD1-CB 4.25Å; L288-V406 HydrophobicContact CD1-CG1 3.93Å; L288-V406 HydrophobicContact CD1-CG2 4.29Å; W369-V406 HydrophobicContact CH2-CB 3.76Å; W369-V406 HydrophobicContact CH2-CG1 3.17Å; W369-V406 HydrophobicContact CH2-CG2 3.29Å; W369-V406 HydrophobicContact CZ2-CG1 4.19Å; W369-V406 HydrophobicContact CZ2-CG2 3.72Å; W369-V406 HydrophobicContact CZ3-CB 4.46Å; W369-V406 HydrophobicContact CZ3-CG1 3.44Å; W369-V406 VanDerWaalsContact CZ3-CG1 3.44Å; W369-V406 HydrophobicContact CZ3-CG2 4.39Å; L404-V406 PolarHBondContact O-N 2.78Å; V406-L412 HydrophobicContact CG1-CD1 3.6Å; V406-L412 WeakPolarHBondContact O-CA 3.27Å
407F61.1Low59.9Low0 Ų075.5 Ų75.50%041%0.41CS..THydrogen-bonded Turntrans-123.860.6168.7-47.1-73.6000107.9W85 I96 L97 V281 I284 L288 H405 L412W85-F407 AromaticContact CE2-CD2 3.96Å; W85-F407 AromaticContact CZ2-CD2 3.89Å; W85-F407 HydrophobicContact CZ2-CD2 3.89Å; W85-F407 PolarHBondContact NE1-O 2.9Å; I96-F407 HydrophobicContact CD1-CB 4.46Å; I96-F407 HydrophobicContact CD1-CD1 3.61Å; I96-F407 HydrophobicContact CD1-CE1 4.23Å; I96-F407 HydrophobicContact CD1-CG 4.39Å; I96-F407 HydrophobicContact CG1-CD1 4.28Å; I96-F407 HydrophobicContact CG2-CB 4.13Å; I96-F407 HydrophobicContact CG2-CD1 4.13Å; I96-F407 HydrophobicContact CG2-CG 4.07Å; L97-F407 HydrophobicContact CD2-CE2 4.18Å; L97-F407 HydrophobicContact CD2-CZ 4.49Å; V281-F407 HydrophobicContact CG1-CE1 3.94Å; V281-F407 HydrophobicContact CG1-CZ 4.42Å; V281-F407 HydrophobicContact CG2-CE1 4.36Å; I284-F407 HydrophobicContact CB-CZ 4.45Å; I284-F407 HydrophobicContact CG2-CZ 4.15Å; L288-F407 HydrophobicContact CD1-CE2 3.98Å; H405-F407 PolarHBondContact O-N 3Å; H405-F407 VanDerWaalsContact O-N 3.14Å; F407-L412 HydrophobicContact CD1-CB 3.94Å; F407-L412 HydrophobicContact CD1-CD1 4.49Å; F407-L412 HydrophobicContact CE1-CB 3.89Å; F407-L412 HydrophobicContact CE1-CD1 4.11Å; F407-L412 HydrophobicContact CE1-CD2 4.34Å; F407-L412 HydrophobicContact CE1-CG 4.35Å
408G61.5Low62.4Low4 Ų472.8 Ų72.84%0.04139%0.389CS..BIsolated β-bridgetrans-75.2-171.6167.800000110.9H405 N410 G411H405-G408 PolarHBondContact O-N 3.34Å; G408-N410 PolarHBondContact O-N 3.26Å; G408-G411 PolarHBondContact O-N 3.06Å
409P54.9Low65.1Low103 Ų10363.7 Ų63.767%0.66935%0.346SS*.THydrogen-bonded Turntrans-54.2-21.2-175.9-2432.3000115.5
410N66.4Low67.9Low163 Ų16352.6 Ų52.687%0.87231%0.305SS*.THydrogen-bonded Turntrans-93.72.5179.7-61.8-28.6000113.2G408G408-N410 PolarHBondContact O-N 3.26Å
411G75.9Confident70.6Confident21 Ų2150.9 Ų50.922%0.21629%0.293CS..BIsolated β-bridgetrans70.4-167.5-174.200000113.7G408G408-G411 PolarHBondContact O-N 3.06Å
412L84.5Confident72.5Confident6 Ų650 Ų503%0.03128%0.282CS..SBendtrans-70.9127.2172.5-172.771.6000108.7H277 D280 V281 I284 W369 V406 F407 L415H277-L412 PolarHBondContact CE1-O 3.06Å; H277-L412 PolarHBondContact NE2-O 3.45Å; H277-L412 VanDerWaalsContact NE2-O 3.12Å; D280-L412 HydrophobicContact CB-CD2 4.4Å; V281-L412 HydrophobicContact CB-CD2 4.34Å; V281-L412 HydrophobicContact CG2-CB 3.96Å; V281-L412 HydrophobicContact CG2-CD2 3.64Å; V281-L412 HydrophobicContact CG2-CG 4.47Å; I284-L412 HydrophobicContact CG1-CD2 4.41Å; I284-L412 HydrophobicContact CG2-CD1 4.3Å; W369-L412 HydrophobicContact CZ3-CD1 4.12Å; V406-L412 HydrophobicContact CG1-CD1 3.6Å; V406-L412 WeakPolarHBondContact O-CA 3.27Å; F407-L412 HydrophobicContact CD1-CB 3.94Å; F407-L412 HydrophobicContact CD1-CD1 4.49Å; F407-L412 HydrophobicContact CE1-CB 3.89Å; F407-L412 HydrophobicContact CE1-CD1 4.11Å; F407-L412 HydrophobicContact CE1-CD2 4.34Å; F407-L412 HydrophobicContact CE1-CG 4.35Å; L412-L415 HydrophobicContact CG-CG 4.43Å; L412-L415 HydrophobicContact CG-CD2 4.39Å; L412-L415 HydrophobicContact CD2-CD1 4.04Å; L412-L415 HydrophobicContact CD1-CD2 4.37Å; L412-L415 HydrophobicContact CD2-CG 4.26Å
413P87.8Confident74.1Confident63 Ų6345.2 Ų45.241%0.40927%0.265SS..PPolyproline II helixtrans-64.1161.7172.227.5-35000111H277 P373 L415H277-P413 PolarHBondContact CE1-O 2.79Å; P373-P413 HydrophobicContact CB-CG 3.72Å; P373-P413 HydrophobicContact CG-CG 3.75Å; P413-L415 PolarHBondContact O-N 2.98Å
414R87.6Confident75Confident55 Ų5547.2 Ų47.221%0.20828%0.275CS..PPolyproline II helixtrans-57.1124.2171.3-172.874.3178.2128.918.9109D280 P376 E382 S417D280-R414 IonicContact OD2-NH1 3.74Å; P376-R414 WeakPolarHBondContact CD-O 3.42Å; P376-R414 HydrophobicContact CG-CG 3.86Å; E382-R414 IonicContact OE2-NE 3.61Å; R414-S417 PolarHBondContact NH2-O 3.49Å
415L92Very high75.7Confident0 Ų043.1 Ų43.10%025%0.252CS..PPolyproline II helixtrans-92.1161.2177.4-55.4-171.7000111D280 I284 I368 P373 I374 L412 P413 S417D280-L415 HydrophobicContact CB-CD1 4.12Å; I284-L415 HydrophobicContact CD1-CD1 4.27Å; I284-L415 HydrophobicContact CG1-CD1 3.77Å; I368-L415 HydrophobicContact CB-CB 4.18Å; I368-L415 HydrophobicContact CB-CD1 4Å; I368-L415 HydrophobicContact CD1-CD1 4Å; I368-L415 HydrophobicContact CG1-CD1 4.43Å; P373-L415 HydrophobicContact CB-CD2 3.38Å; I374-L415 CarbonylContact O-C 3.54Å; I374-L415 WeakPolarHBondContact O-CA 3.31Å; L412-L415 HydrophobicContact CG-CG 4.43Å; L412-L415 HydrophobicContact CG-CD2 4.39Å; L412-L415 HydrophobicContact CD2-CD1 4.04Å; L412-L415 HydrophobicContact CD1-CD2 4.37Å; L412-L415 HydrophobicContact CD2-CG 4.26Å; P413-L415 PolarHBondContact O-N 2.98Å; L415-S417 PolarHBondContact O-N 3.04Å
416N93.2Very high75.9Confident0 Ų044.8 Ų44.80%027%0.269CS..SBendtrans-68.156.8168.5-177.657.9000111.6K360 D366 L367 I368 I374 T377 F418K360-N416 PolarHBondContact O-ND2 3.41Å; D366-N416 WeakPolarHBondContact CB-O 3.32Å; L367-N416 WeakPolarHBondContact O-CB 3.34Å; L367-N416 PolarHBondContact O-ND2 3.43Å; I368-N416 WeakPolarHBondContact CG2-O 3.46Å; I374-N416 HydrophobicContact CB-CB 4.36Å; I374-N416 HydrophobicContact CG2-CB 3.85Å; I374-N416 WeakPolarHBondContact O-CB 3.35Å; I374-N416 PolarHBondContact O-N 3.05Å; T377-N416 PolarHBondContact N-OD1 2.96Å; N416-F418 WeakPolarHBondContact OD1-CE2 3.45Å
417S93.1Very high75.9Confident3 Ų346.8 Ų46.82%0.02129%0.288CS..  trans-117.4118.9-176.2179.70000109.8D280 R414 L415D280-S417 WeakPolarHBondContact OD1-CB 3.35Å; D280-S417 PolarHBondContact OD1-OG 3.05Å; D280-S417 WeakPolarHBondContact OD2-CB 3.43Å; R414-S417 PolarHBondContact NH2-O 3.49Å; L415-S417 PolarHBondContact O-N 3.04Å
418F92.5Very high76Confident26 Ų2652.7 Ų52.711%0.11431%0.31CS..  trans-115.633.3178.7-60.7-92.3000111.9R211 D366 T380 N416 G420 C421R211-F418 HydrophobicContact CG-CB 4.26Å; D366-F418 WeakPolarHBondContact OD2-CB 3.25Å; D366-F418 WeakPolarHBondContact OD2-CD2 3.45Å; D366-F418 PolarHBondContact OD2-N 2.83Å; T380-F418 HydrophobicContact CG2-CE1 3.76Å; T380-F418 HydrophobicContact CG2-CZ 3.67Å; N416-F418 WeakPolarHBondContact OD1-CE2 3.45Å; F418-G420 PolarHBondContact O-N 2.85Å; F418-C421 PolarHBondContact O-N 2.81Å; F418-C421 WeakPolarHBondContact O-CB 3.41Å; F418-C421 HydrophobicContact CB-CB 3.94Å
419L94.5Very high75.9Confident2 Ų253.6 Ų53.61%0.0131%0.312CS..THydrogen-bonded Turntrans-53.5122.6175.7-178.464.3000111.4V195 V209 Y210 I256 R260 F276 V279 F283 C421V195-L419 HydrophobicContact CB-CD1 4.29Å; V195-L419 HydrophobicContact CB-CD2 4.47Å; V195-L419 HydrophobicContact CG1-CD1 3.99Å; V195-L419 HydrophobicContact CG1-CD2 4.1Å; V209-L419 HydrophobicContact CG1-CB 4.29Å; V209-L419 HydrophobicContact CG1-CD1 4.38Å; Y210-L419 WeakPolarHBondContact O-CD1 3.28Å; I256-L419 HydrophobicContact CG2-CD1 4.28Å; I256-L419 HydrophobicContact CG2-CG 4.27Å; R260-L419 PolarHBondContact NH1-O 3.06Å; F276-L419 HydrophobicContact CD1-CB 4.05Å; F276-L419 HydrophobicContact CD1-CD2 3.9Å; F276-L419 HydrophobicContact CD1-CG 3.92Å; F276-L419 WeakPolarHBondContact CD1-O 3.19Å; F276-L419 HydrophobicContact CE1-CB 4.36Å; F276-L419 HydrophobicContact CE1-CD2 4.06Å; F276-L419 HydrophobicContact CE1-CG 3.85Å; F276-L419 WeakPolarHBondContact CE1-O 3.29Å; V279-L419 HydrophobicContact CG1-CD2 3.8Å; F283-L419 HydrophobicContact CE2-CD2 4.18Å; F283-L419 HydrophobicContact CZ-CD2 4.07Å; L419-C421 VanDerWaalsContact C-N 3.31Å
420G91.4Very high75.9Confident4 Ų457.9 Ų57.94%0.04132%0.32CS..THydrogen-bonded Turntrans78.52.7-17600000115.5R211 G257 R260 F418R211-G420 PolarHBondContact O-N 2.8Å; G257-G420 WeakPolarHBondContact CA-O 3.25Å; R260-G420 WeakPolarHBondContact CD-O 3.35Å; F418-G420 PolarHBondContact O-N 2.85Å
421C88.2Confident75Confident39 Ų3953.5 Ų53.526%0.26430%0.296SS..SBendtrans-79.2162.6171.2-62.30000110.3F418 L419 S423F418-C421 PolarHBondContact O-N 2.81Å; F418-C421 WeakPolarHBondContact O-CB 3.41Å; F418-C421 HydrophobicContact CB-CB 3.94Å; L419-C421 VanDerWaalsContact C-N 3.31Å; C421-S423 PolarHBondContact O-N 3.32Å
422T72.1Confident73.6Confident104 Ų10458.9 Ų58.964%0.63832%0.321SS*.PPolyproline II helixtrans-60.2123.7179.543.40000110.9
423S68.6Low71.4Confident48 Ų4864.5 Ų64.534%0.33636%0.36SS..PPolyproline II helixtrans-59.1143162.8170.70000109.4D364 C421 Q425D364-S423 PolarHBondContact OD1-OG 3.03Å; D364-S423 VanDerWaalsContact OD1-OG 3.05Å; D364-S423 WeakPolarHBondContact OD2-CB 3.45Å; D364-S423 PolarHBondContact OD2-OG 2.85Å; C421-S423 PolarHBondContact O-N 3.32Å; S423-Q425 VanDerWaalsContact C-N 3.28Å; S423-Q425 WeakPolarHBondContact OG-CB 3.42Å; S423-Q425 PolarHBondContact OG-N 2.7Å
424T58.2Low68.8Low116 Ų11671 Ų7171%0.71238%0.382SS*.SBendtrans-86.2-2.1169.647.40000112.1
425Q57.2Low66.3Low39 Ų3977.2 Ų77.218%0.18243%0.432CS..PPolyproline II helixtrans-95.7135.9-173.7-56.5-159.642.400113.2D344 G363 S423D344-Q425 VanDerWaalsContact CG-NE2 3.31Å; D344-Q425 PolarHBondContact OD1-NE2 3.23Å; D344-Q425 PolarHBondContact OD2-NE2 3.38Å; G363-Q425 VanDerWaalsContact C-NE2 3.26Å; S423-Q425 VanDerWaalsContact C-N 3.28Å; S423-Q425 WeakPolarHBondContact OG-CB 3.42Å; S423-Q425 PolarHBondContact OG-N 2.7Å
426T56.6Low65.1Low125 Ų12581.1 Ų81.177%0.76745%0.454SS*.PPolyproline II helixtrans-79153.3160.939.90000110.9R428T426-R428 PolarHBondContact O-N 3.17Å; T426-R428 VanDerWaalsContact O-N 3.11Å
427A57.2Low63.6Low62 Ų6285.4 Ų85.451%0.51248%0.477SS..PPolyproline II helixtrans-56.6116.4177.100000111.5I336I336-A427 HydrophobicContact CD1-CB 4.5Å; I336-A427 HydrophobicContact CG2-CB 3.9Å
428R63.6Low61.9Low123 Ų12389.9 Ų89.946%0.46450%0.503SS..  trans-78.5-27.3176.7-62.8-176-170.4179.23.3112.1D343 D344 D347 T426D343-R428 IonicContact OD2-CZ 2.89Å; D343-R428 IonicContact OD2-NH1 2.79Å; D343-R428 PolarHBondContact OD2-NH1 3.35Å; D344-R428 IonicContact OD1-CZ 3.07Å; D344-R428 IonicContact OD1-NH1 3.92Å; D344-R428 IonicContact OD1-NH2 3.05Å; D347-R428 IonicContact OD2-NH1 3.71Å; T426-R428 PolarHBondContact O-N 3.17Å; T426-R428 VanDerWaalsContact O-N 3.11Å
429Y58.5Low60.1Low24 Ų2493.7 Ų93.79%0.09453%0.526CS..  trans-107.9132-176.6-60.1-84.1000112.3N22 T339 D343N22-Y429 HydrophobicContact CB-CE1 3.78Å; N22-Y429 VanDerWaalsContact ND2-CE1 3.32Å; N22-Y429 WeakPolarHBondContact ND2-CE1 3.4Å; T339-Y429 VanDerWaalsContact CB-CD2 3.44Å; T339-Y429 HydrophobicContact CG2-CG 4.44Å; T339-Y429 WeakPolarHBondContact OG1-CD2 3.47Å; D343-Y429 HydrophobicContact CB-CE2 3.99Å; D343-Y429 PolarHBondContact OD1-OH 2.81Å
430K54.7Low58Low192 Ų19299.4 Ų99.484%0.83556%0.558SS**PPolyproline II helixtrans-103.2136.2162.8-68.2-179.6-178.5175.80107.6N432K430-N432 PolarHBondContact O-N 3.46Å
431L47.4Very low55.8Low71 Ų71105.8 Ų105.837%0.37259%0.592SS.*PPolyproline II helixtrans-52.7123.2168.4-87.5161.9000108.8K332 Y335 S433K332-L431 HydrophobicContact CB-CD1 3.55Å; K332-L431 HydrophobicContact CD-CD1 3.86Å; K332-L431 HydrophobicContact CG-CD1 3.5Å; K332-L431 VanDerWaalsContact CG-CD1 3.5Å; K332-L431 HydrophobicContact CG-CG 4.42Å; Y335-L431 HydrophobicContact CD1-CD2 4.09Å; Y335-L431 HydrophobicContact CD1-CG 4.19Å; Y335-L431 HydrophobicContact CD2-CD2 4.32Å; Y335-L431 HydrophobicContact CE1-CD2 4.41Å; Y335-L431 HydrophobicContact CG-CD2 4.05Å; Y335-L431 HydrophobicContact CG-CG 4.48Å; L431-S433 PolarHBondContact O-N 3.16Å
432N47.3Very low53.4Low135 Ų135110.6 Ų110.672%0.72262%0.616SS**PPolyproline II helixtrans-63127.2163.7-87.1-25.1000107.6K430 K434K430-N432 PolarHBondContact O-N 3.46Å; N432-K434 PolarHBondContact O-N 2.76Å
433S37.5Very low52Low123 Ų123111.1 Ų111.186%0.8661%0.614SS**THydrogen-bonded Turntrans-71.228.1-178.965.60000113.8L431L431-S433 PolarHBondContact O-N 3.16Å
434K33.2Very low50.6Low200 Ų200116.3 Ų116.387%0.8764%0.637SS**THydrogen-bonded Turntrans-112.616.3178.2-77.7-166.3175.5-176.30113.3N432N432-K434 PolarHBondContact O-N 2.76Å
435C36.1Very low49.9Very low186 Ų186116.4 Ų116.4100%1.25763%0.63SS**  trans-107.10165.7-71.20000110.6

Retrieved 435 of 435 residues in 653.2 ms (Link to these results)

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