A0A1A8UF19_NOTFU Loading...

Eukaryotic peptide chain release factor subunit 1

AlphaFold DB , UniProt , Accession A0A1A8UF19, Species NOTFU (Nothobranchius furzeri, Turquoise killifish), Gene ETF1, Length 443 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
1M29.2Very low56.2Low205 Ų20582.5 Ų82.5100%1.0148%0.48SS*.  093.70-78.3175.5171.100105.9D3M1-D3 PolarHBondContact O-N 3.07Å
2A26Very low58.2Low102 Ų10275.7 Ų75.784%0.84344%0.44SS*.  trans-80.8109.8175.400000106.7
3D42.7Very low59.8Low123 Ų12375.8 Ų75.866%0.65843%0.434SS*.  trans-56.6141.4164.9-81.1-45.4000108.4M1 P5M1-D3 PolarHBondContact O-N 3.07Å; D3-P5 VanDerWaalsContact O-CD 3.22Å; D3-P5 WeakPolarHBondContact O-CD 3.46Å; D3-P5 VanDerWaalsContact O-N 3.15Å
4D50.3Low61.3Low61 Ų6171.1 Ų71.133%0.32641%0.407SS..  trans-61.3114.8-174-167.93.5000109.7S6 A7 K218D4-S6 PolarHBondContact O-N 3.2Å; D4-S6 PolarHBondContact OD1-N 2.92Å; D4-A7 HydrophobicContact CB-CB 4.01Å; D4-A7 WeakPolarHBondContact O-CB 3.31Å; D4-A7 PolarHBondContact O-N 2.98Å; D4-K218 IonicContact OD1-NZ 3.4Å; D4-K218 PolarHBondContact OD1-NZ 3.13Å; D4-K218 WeakPolarHBondContact OD2-CE 3.39Å; D4-K218 IonicContact OD2-NZ 3.71Å; D4-K218 PolarHBondContact OD2-NZ 3.02Å
5P47.3Very low62.8Low82 Ų8268.6 Ų68.653%0.53239%0.388SS..Hα-helixtrans-55.8-29.1179.1-22.331.9000111.6D3 A7 D9D3-P5 VanDerWaalsContact O-CD 3.22Å; D3-P5 WeakPolarHBondContact O-CD 3.46Å; D3-P5 VanDerWaalsContact O-N 3.15Å; P5-A7 VanDerWaalsContact C-N 3.32Å; P5-A7 PolarHBondContact O-N 3.33Å; P5-D9 WeakPolarHBondContact O-CB 3.5Å; P5-D9 PolarHBondContact O-N 3.36Å
6S61.6Low64Low78 Ų7867.4 Ų67.455%0.54538%0.377SS..Hα-helixtrans-69.9-22.9176.7-174.80000114.3D4 R10D4-S6 PolarHBondContact O-N 3.2Å; D4-S6 PolarHBondContact OD1-N 2.92Å; S6-R10 WeakPolarHBondContact O-CB 3.34Å; S6-R10 PolarHBondContact O-N 3.09Å
7A66.2Low65.1Low48 Ų4864.5 Ų64.540%0.39736%0.361SS..Hα-helixtrans-81.2-43.3-178.600000111.5D4 P5 R10 N11D4-A7 HydrophobicContact CB-CB 4.01Å; D4-A7 WeakPolarHBondContact O-CB 3.31Å; D4-A7 PolarHBondContact O-N 2.98Å; P5-A7 VanDerWaalsContact C-N 3.32Å; P5-A7 PolarHBondContact O-N 3.33Å; A7-R10 WeakPolarHBondContact O-CB 3.41Å; A7-R10 PolarHBondContact O-N 3.12Å; A7-N11 PolarHBondContact O-N 3.26Å
8A67.4Low66.2Low4 Ų466.8 Ų66.83%0.03337%0.366CS..Hα-helixtrans-59.7-49172.300000110.7R10 N11 V12 E396A8-R10 PolarHBondContact O-N 3.47Å; A8-N11 WeakPolarHBondContact O-CB 3.17Å; A8-N11 PolarHBondContact O-N 3.08Å; A8-V12 PolarHBondContact O-N 3.18Å; A8-V12 VanDerWaalsContact O-N 3.07Å; A8-E396 VanDerWaalsContact CB-OE1 3.27Å; A8-E396 WeakPolarHBondContact CB-OE1 3.47Å
9D74.1Confident67.1Low41 Ų4166.9 Ų66.922%0.21936%0.363CS..Hα-helixtrans-55.5-40.1175.5-83.218.3000112.4P5 V12 E13 Y388 K389P5-D9 WeakPolarHBondContact O-CB 3.5Å; P5-D9 PolarHBondContact O-N 3.36Å; D9-V12 PolarHBondContact O-N 3.46Å; D9-E13 PolarHBondContact O-N 2.97Å; D9-E13 VanDerWaalsContact O-N 3.1Å; D9-Y388 VanDerWaalsContact CG-OH 3.31Å; D9-Y388 WeakPolarHBondContact OD1-CE2 3.41Å; D9-Y388 PolarHBondContact OD1-OH 3.43Å; D9-K389 VanDerWaalsContact OD2-CE 3.31Å; D9-K389 WeakPolarHBondContact OD2-CE 3.35Å; D9-K389 IonicContact OD2-NZ 3.17Å; D9-K389 PolarHBondContact OD2-NZ 3.35Å
10R76.6Confident68Low101 Ų10165.3 Ų65.338%0.38135%0.354SS..Hα-helixtrans-67.1-37.8176.8178.7173.3166.5177.6-9112S6 A7 A8 V12 E13 I14 D142S6-R10 WeakPolarHBondContact O-CB 3.34Å; S6-R10 PolarHBondContact O-N 3.09Å; A7-R10 WeakPolarHBondContact O-CB 3.41Å; A7-R10 PolarHBondContact O-N 3.12Å; A8-R10 PolarHBondContact O-N 3.47Å; R10-V12 VanDerWaalsContact C-N 3.29Å; R10-V12 PolarHBondContact O-N 3.03Å; R10-E13 PolarHBondContact O-N 3.21Å; R10-I14 HydrophobicContact CG-CD1 3.89Å; R10-I14 HydrophobicContact CG-CG1 4.44Å; R10-I14 WeakPolarHBondContact O-CB 3.39Å; R10-I14 WeakPolarHBondContact O-CD1 3.37Å; R10-I14 WeakPolarHBondContact O-CG1 3.46Å; R10-I14 PolarHBondContact O-N 3.35Å; R10-D142 IonicContact CZ-OD1 2.69Å; R10-D142 IonicContact NE-OD1 3.19Å; R10-D142 IonicContact NH2-OD1 3.02Å; R10-D142 PolarHBondContact NH2-OD1 3.49Å
11N77.1Confident69Low62 Ų6262.5 Ų62.533%0.33234%0.338SS..Hα-helixtrans-62.8-38.4175.1-68.7-25.5000111.5A7 A8 I14 W15A7-N11 PolarHBondContact O-N 3.26Å; A8-N11 WeakPolarHBondContact O-CB 3.17Å; A8-N11 PolarHBondContact O-N 3.08Å; N11-I14 PolarHBondContact O-N 3.06Å; N11-W15 WeakPolarHBondContact O-CB 3.45Å; N11-W15 PolarHBondContact O-N 3.45Å
12V80.3Confident71.7Confident1 Ų160 Ų601%0.00632%0.322CS..Hα-helixtrans-63.6-46175.2178.30000111.3A8 D9 R10 I14 W15 K16 A385 Y388 L395 I397A8-V12 PolarHBondContact O-N 3.18Å; A8-V12 VanDerWaalsContact O-N 3.07Å; D9-V12 PolarHBondContact O-N 3.46Å; R10-V12 VanDerWaalsContact C-N 3.29Å; R10-V12 PolarHBondContact O-N 3.03Å; V12-I14 VanDerWaalsContact C-N 3.35Å; V12-I14 PolarHBondContact O-N 3.37Å; V12-W15 WeakPolarHBondContact O-CB 3.38Å; V12-W15 PolarHBondContact O-N 3.18Å; V12-K16 PolarHBondContact O-N 3.17Å; V12-A385 HydrophobicContact CG1-CB 3.68Å; V12-Y388 HydrophobicContact CG1-CE1 3.94Å; V12-Y388 HydrophobicContact CG2-CE1 4.5Å; V12-L395 HydrophobicContact CG1-CD2 4.09Å; V12-L395 HydrophobicContact CG2-CB 4.06Å; V12-L395 HydrophobicContact CG2-CD2 3.76Å; V12-L395 HydrophobicContact CG2-CG 3.91Å; V12-I397 HydrophobicContact CG2-CD1 4.44Å
13E79.2Confident74.6Confident78 Ų7858.2 Ų58.236%0.36430%0.303SS..Hα-helixtrans-63.2-40.2176.1-68.8-57.7133.600111.9D9 R10 W15 K16 I17D9-E13 PolarHBondContact O-N 2.97Å; D9-E13 VanDerWaalsContact O-N 3.1Å; R10-E13 PolarHBondContact O-N 3.21Å; E13-W15 VanDerWaalsContact C-N 3.31Å; E13-W15 PolarHBondContact O-N 3.33Å; E13-K16 PolarHBondContact O-N 2.9Å; E13-K16 IonicContact OE1-NZ 3.9Å; E13-K16 PolarHBondContact OE1-NZ 3.2Å; E13-I17 WeakPolarHBondContact O-CG1 3.31Å; E13-I17 PolarHBondContact O-N 3.32Å
14I80.7Confident76.7Confident9 Ų952.4 Ų52.45%0.04627%0.272CS..Hα-helixtrans-60.4-42173.3-71.1165.7000110.9R10 N11 V12 I17 K18 F117 L140 D142R10-I14 HydrophobicContact CG-CD1 3.89Å; R10-I14 HydrophobicContact CG-CG1 4.44Å; R10-I14 WeakPolarHBondContact O-CB 3.39Å; R10-I14 WeakPolarHBondContact O-CD1 3.37Å; R10-I14 WeakPolarHBondContact O-CG1 3.46Å; R10-I14 PolarHBondContact O-N 3.35Å; N11-I14 PolarHBondContact O-N 3.06Å; V12-I14 VanDerWaalsContact C-N 3.35Å; V12-I14 PolarHBondContact O-N 3.37Å; I14-I17 PolarHBondContact O-N 3.22Å; I14-K18 HydrophobicContact CG2-CD 4.34Å; I14-K18 WeakPolarHBondContact O-CG 3.36Å; I14-K18 PolarHBondContact O-N 2.7Å; I14-F117 HydrophobicContact CD1-CE2 4.24Å; I14-F117 HydrophobicContact CG1-CD2 4.29Å; I14-F117 HydrophobicContact CG1-CE1 4.33Å; I14-F117 HydrophobicContact CG1-CE2 3.88Å; I14-F117 HydrophobicContact CG1-CZ 3.91Å; I14-L140 HydrophobicContact CG2-CD2 3.82Å; I14-D142 HydrophobicContact CD1-CB 3.91Å; I14-D142 VanDerWaalsContact CD1-CG 3.44Å; I14-D142 WeakPolarHBondContact CD1-OD2 3.43Å
15W82.8Confident78.5Confident34 Ų3454.5 Ų54.513%0.12928%0.28CS..Hα-helixtrans-64.1-43.1177.1177.892.5000111.9N11 V12 E13 I17 K18 K19 L381 E382 A385 I397N11-W15 WeakPolarHBondContact O-CB 3.45Å; N11-W15 PolarHBondContact O-N 3.45Å; V12-W15 WeakPolarHBondContact O-CB 3.38Å; V12-W15 PolarHBondContact O-N 3.18Å; E13-W15 VanDerWaalsContact C-N 3.31Å; E13-W15 PolarHBondContact O-N 3.33Å; W15-I17 VanDerWaalsContact C-N 3.32Å; W15-I17 PolarHBondContact O-N 3.22Å; W15-K18 WeakPolarHBondContact O-CB 3.47Å; W15-K18 PolarHBondContact O-N 3.27Å; W15-K19 HydrophobicContact CH2-CD 3.6Å; W15-K19 HydrophobicContact CZ2-CD 3.86Å; W15-K19 HydrophobicContact CZ3-CD 4.22Å; W15-K19 PolarHBondContact O-N 3.21Å; W15-L381 HydrophobicContact CH2-CB 4.28Å; W15-L381 HydrophobicContact CH2-CD2 3.96Å; W15-L381 HydrophobicContact CH2-CG 3.68Å; W15-L381 HydrophobicContact CZ2-CB 4.31Å; W15-L381 HydrophobicContact CZ2-CD2 3.23Å; W15-L381 HydrophobicContact CZ2-CG 3.52Å; W15-L381 HydrophobicContact CZ3-CG 4.36Å; W15-E382 HydrophobicContact CH2-CB 4.28Å; W15-A385 HydrophobicContact CE3-CB 4.33Å; W15-A385 HydrophobicContact CZ3-CB 4.05Å; W15-I397 HydrophobicContact CB-CD1 3.57Å; W15-I397 HydrophobicContact CD2-CD1 3.9Å; W15-I397 HydrophobicContact CE3-CD1 4.4Å; W15-I397 HydrophobicContact CG-CD1 3.49Å; W15-I397 VanDerWaalsContact CG-CD1 3.49Å
16K82.6Confident80.4Confident49 Ų4954.5 Ų54.521%0.21329%0.287CS..Hα-helixtrans-57.6-45.7174.6-71179.6-174.5172.50111.5V12 E13 K19 L20 A385 N386V12-K16 PolarHBondContact O-N 3.17Å; E13-K16 PolarHBondContact O-N 2.9Å; E13-K16 IonicContact OE1-NZ 3.9Å; E13-K16 PolarHBondContact OE1-NZ 3.2Å; K16-K19 PolarHBondContact O-N 3.13Å; K16-L20 WeakPolarHBondContact O-CB 3.34Å; K16-L20 PolarHBondContact O-N 3.42Å; K16-A385 WeakPolarHBondContact CE-O 3.49Å; K16-A385 HydrophobicContact CG-CB 4.48Å; K16-A385 PolarHBondContact NZ-O 3.2Å; K16-N386 VanDerWaalsContact CE-OD1 3.3Å; K16-N386 WeakPolarHBondContact CE-OD1 3.44Å; K16-N386 PolarHBondContact NZ-OD1 3.13Å; K16-N386 VanDerWaalsContact NZ-OD1 3.17Å
17I83.1Confident81.6Confident19 Ų1951.3 Ų51.310%0.09727%0.265CS..Hα-helixtrans-65.6-40.6177.2-62.4-58.7000111.6E13 I14 W15 K19 L20 I21 F114 F117 L140E13-I17 WeakPolarHBondContact O-CG1 3.31Å; E13-I17 PolarHBondContact O-N 3.32Å; I14-I17 PolarHBondContact O-N 3.22Å; W15-I17 VanDerWaalsContact C-N 3.32Å; W15-I17 PolarHBondContact O-N 3.22Å; I17-K19 PolarHBondContact O-N 3.44Å; I17-L20 HydrophobicContact CD1-CD2 4.48Å; I17-L20 PolarHBondContact O-N 3.23Å; I17-I21 HydrophobicContact CG2-CD1 4.11Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 WeakPolarHBondContact O-CG1 3.4Å; I17-I21 PolarHBondContact O-N 2.87Å; I17-F114 HydrophobicContact CD1-CD2 3.78Å; I17-F114 HydrophobicContact CD1-CE2 3.39Å; I17-F114 HydrophobicContact CD1-CZ 3.94Å; I17-F117 HydrophobicContact CG1-CD1 4.31Å; I17-L140 HydrophobicContact CB-CD2 4.03Å; I17-L140 HydrophobicContact CG2-CD1 4.3Å; I17-L140 HydrophobicContact CG2-CD2 3.79Å; I17-L140 HydrophobicContact CG2-CG 4.13Å
18K83.8Confident82.3Confident105 Ų10558.4 Ų58.446%0.45728%0.282SS..Hα-helixtrans-57.5-47.7173.6-84.4174.6177.7-174.60112I14 W15 L20 I21 K22 L140I14-K18 HydrophobicContact CG2-CD 4.34Å; I14-K18 WeakPolarHBondContact O-CG 3.36Å; I14-K18 PolarHBondContact O-N 2.7Å; W15-K18 WeakPolarHBondContact O-CB 3.47Å; W15-K18 PolarHBondContact O-N 3.27Å; K18-L20 VanDerWaalsContact C-N 3.34Å; K18-I21 PolarHBondContact O-N 3.49Å; K18-K22 PolarHBondContact O-N 3.28Å; K18-L140 HydrophobicContact CB-CD1 4.31Å; K18-L140 HydrophobicContact CG-CD1 3.5Å; K18-L140 HydrophobicContact CG-CD2 3.87Å; K18-L140 HydrophobicContact CG-CG 4.25Å
19K83.8Confident83Confident69 Ų6958.7 Ų58.730%0.329%0.285SS..Hα-helixtrans-63.7-42.7178.6-169.8177.6-174.9-173.60111.2W15 K16 I17 K22 S23 E382W15-K19 HydrophobicContact CH2-CD 3.6Å; W15-K19 HydrophobicContact CZ2-CD 3.86Å; W15-K19 HydrophobicContact CZ3-CD 4.22Å; W15-K19 PolarHBondContact O-N 3.21Å; K16-K19 PolarHBondContact O-N 3.13Å; I17-K19 PolarHBondContact O-N 3.44Å; K19-K22 PolarHBondContact O-N 3Å; K19-S23 PolarHBondContact O-N 3.36Å; K19-E382 IonicContact NZ-OE2 3.77Å; K19-E382 PolarHBondContact NZ-OE2 3.42Å
20L85.8Confident83Confident35 Ų3563.5 Ų63.518%0.18331%0.311CS..Hα-helixtrans-59.2-48.3174.9177.461.1000111.3K16 I17 K18 K22 S23 L24 I112 F114K16-L20 WeakPolarHBondContact O-CB 3.34Å; K16-L20 PolarHBondContact O-N 3.42Å; I17-L20 HydrophobicContact CD1-CD2 4.48Å; I17-L20 PolarHBondContact O-N 3.23Å; K18-L20 VanDerWaalsContact C-N 3.34Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 3.4Å; L20-S23 PolarHBondContact O-N 2.86Å; L20-S23 VanDerWaalsContact O-N 3.14Å; L20-S23 PolarHBondContact O-OG 3.28Å; L20-L24 HydrophobicContact CD1-CD1 4.08Å; L20-L24 HydrophobicContact CD1-CG 4.16Å; L20-L24 HydrophobicContact CG-CD1 3.87Å; L20-L24 HydrophobicContact CG-CG 4.39Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 2.86Å; L20-I112 HydrophobicContact CD1-CD1 3.63Å; L20-I112 HydrophobicContact CD1-CG2 4.2Å; L20-I112 HydrophobicContact CD2-CG2 4.15Å; L20-F114 HydrophobicContact CD2-CD1 3.93Å; L20-F114 HydrophobicContact CD2-CE1 3.52Å; L20-F114 HydrophobicContact CD2-CZ 4.01Å
21I87.6Confident82.9Confident7 Ų760.1 Ų60.14%0.03631%0.308CS..Hα-helixtrans-59.1-45176.5-70.7175.7000111.4I17 K18 S23 L24 E25 T133 L136 L140I17-I21 HydrophobicContact CG2-CD1 4.11Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 WeakPolarHBondContact O-CG1 3.4Å; I17-I21 PolarHBondContact O-N 2.87Å; K18-I21 PolarHBondContact O-N 3.49Å; I21-S23 VanDerWaalsContact C-N 3.26Å; I21-S23 PolarHBondContact O-N 2.87Å; I21-L24 PolarHBondContact O-N 2.98Å; I21-L24 VanDerWaalsContact O-N 3.09Å; I21-E25 HydrophobicContact CG2-CG 4.14Å; I21-E25 WeakPolarHBondContact CG2-OE1 3.32Å; I21-E25 WeakPolarHBondContact O-CB 3.35Å; I21-E25 WeakPolarHBondContact O-CG 3.32Å; I21-E25 PolarHBondContact O-N 2.82Å; I21-T133 HydrophobicContact CG1-CG2 4.49Å; I21-T133 HydrophobicContact CG2-CG2 4.07Å; I21-L136 HydrophobicContact CD1-CB 3.39Å; I21-L136 HydrophobicContact CD1-CD1 4.26Å; I21-L136 HydrophobicContact CD1-CG 4.48Å; I21-L136 HydrophobicContact CG1-CB 4Å; I21-L136 HydrophobicContact CG1-CD1 3.99Å; I21-L140 HydrophobicContact CD1-CD1 3.21Å; I21-L140 HydrophobicContact CD1-CG 4.07Å; I21-L140 HydrophobicContact CG1-CD1 4.4Å
22K87.4Confident83Confident151 Ų15159.8 Ų59.866%0.65731%0.308SS*.Hα-helixtrans-58.4-40177.1-169.7177.1-179.3-178.20111.5K18 K19 L20 A26K18-K22 PolarHBondContact O-N 3.28Å; K19-K22 PolarHBondContact O-N 3Å; L20-K22 VanDerWaalsContact C-N 3.34Å; L20-K22 PolarHBondContact O-N 3.4Å; K22-A26 WeakPolarHBondContact O-CB 3.21Å; K22-A26 PolarHBondContact O-N 2.92Å; K22-A26 VanDerWaalsContact O-N 3.14Å
23S85.9Confident83Confident65 Ų6560 Ų6046%0.45531%0.31SS..Hα-helixtrans-68.4-37.6175.477.10000113K19 L20 I21 A27K19-S23 PolarHBondContact O-N 3.36Å; L20-S23 PolarHBondContact O-N 2.86Å; L20-S23 VanDerWaalsContact O-N 3.14Å; L20-S23 PolarHBondContact O-OG 3.28Å; I21-S23 VanDerWaalsContact C-N 3.26Å; I21-S23 PolarHBondContact O-N 2.87Å; S23-A27 WeakPolarHBondContact O-CB 3.22Å; S23-A27 PolarHBondContact O-N 3.06Å; S23-A27 VanDerWaalsContact O-N 3.13Å
24L88.3Confident83.6Confident2 Ų256.3 Ų56.31%0.0129%0.292CS..Hα-helixtrans-71.8-35.6178.7-71.1169000112.3L20 I21 Y96 I112 F131 T133L20-L24 HydrophobicContact CD1-CD1 4.08Å; L20-L24 HydrophobicContact CD1-CG 4.16Å; L20-L24 HydrophobicContact CG-CD1 3.87Å; L20-L24 HydrophobicContact CG-CG 4.39Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.27Å; L20-L24 PolarHBondContact O-N 2.86Å; I21-L24 PolarHBondContact O-N 2.98Å; I21-L24 VanDerWaalsContact O-N 3.09Å; L24-Y96 HydrophobicContact CD1-CD2 3.42Å; L24-Y96 VanDerWaalsContact CD1-CD2 3.42Å; L24-Y96 HydrophobicContact CD1-CE2 3.5Å; L24-Y96 VanDerWaalsContact CD1-CE2 3.5Å; L24-Y96 HydrophobicContact CD1-CG 4.06Å; L24-Y96 HydrophobicContact CD2-CD2 4.16Å; L24-Y96 HydrophobicContact CD2-CG 4.03Å; L24-Y96 HydrophobicContact CG-CD2 4.46Å; L24-I112 HydrophobicContact CD2-CD1 4.19Å; L24-F131 HydrophobicContact CB-CB 4.3Å; L24-F131 HydrophobicContact CB-CD2 4.11Å; L24-F131 HydrophobicContact CD2-CD2 3.41Å; L24-F131 VanDerWaalsContact CD2-CD2 3.41Å; L24-F131 HydrophobicContact CD2-CE2 3.6Å; L24-F131 HydrophobicContact CD2-CG 4.11Å; L24-F131 HydrophobicContact CD2-CZ 4.47Å; L24-F131 HydrophobicContact CG-CD2 4.38Å; L24-T133 HydrophobicContact CB-CG2 3.91Å; L24-T133 HydrophobicContact CD1-CG2 4.33Å
25E87.7Confident84.2Confident105 Ų10555.9 Ų55.949%0.49129%0.29SS..Hα-helixtrans-72.5-34.7176.1-75.8179.9-177.600112.5I21 A27 T133I21-E25 HydrophobicContact CG2-CG 4.14Å; I21-E25 WeakPolarHBondContact CG2-OE1 3.32Å; I21-E25 WeakPolarHBondContact O-CB 3.35Å; I21-E25 WeakPolarHBondContact O-CG 3.32Å; I21-E25 PolarHBondContact O-N 2.82Å; E25-A27 VanDerWaalsContact C-N 3.32Å; E25-T133 HydrophobicContact CG-CG2 4.14Å; E25-T133 VanDerWaalsContact CG-OG1 3.25Å; E25-T133 WeakPolarHBondContact CG-OG1 3.22Å; E25-T133 PolarHBondContact OE1-OG1 3.4Å
26A86.4Confident84.7Confident81 Ų8154.3 Ų54.367%0.66928%0.284SS*.Hα-helixtrans-71.2-29.6174.700000112.3K22 R28K22-A26 WeakPolarHBondContact O-CB 3.21Å; K22-A26 PolarHBondContact O-N 2.92Å; K22-A26 VanDerWaalsContact O-N 3.14Å; A26-R28 PolarHBondContact O-N 3.25Å
27A85.9Confident85.3Confident12 Ų1252.1 Ų52.110%0.09928%0.275CS..  trans-65.6121.7178.400000111.9S23 E25 M34 I100 F131S23-A27 WeakPolarHBondContact O-CB 3.22Å; S23-A27 PolarHBondContact O-N 3.06Å; S23-A27 VanDerWaalsContact O-N 3.13Å; E25-A27 VanDerWaalsContact C-N 3.32Å; A27-M34 HydrophobicContact CB-CE 4.44Å; A27-I100 HydrophobicContact CB-CG2 3.83Å; A27-F131 HydrophobicContact CB-CD2 4.29Å; A27-F131 HydrophobicContact CB-CE2 4.4Å
28R82.9Confident85.8Confident197 Ų19751.2 Ų51.274%0.74327%0.27SS*.BIsolated β-bridgetrans-121.3135.6172.3-67.1-166.4178.9-158.81.7111.2A26A26-R28 PolarHBondContact O-N 3.25Å
29G80.7Confident86.3Confident10 Ų1046.3 Ų46.310%0.10325%0.249CC..  trans-97.7148.6175.400000112.1G31 N129G29-G31 PolarHBondContact O-N 2.8Å; G29-N129 PolarHBondContact N-O 2.84Å
30N74.6Confident86.7Confident141 Ų14144 Ų4475%0.75424%0.241SC*.SBendtrans-82.166.1170.5-75.3-6.7000110.3V101N30-V101 HydrophobicContact CB-CG2 4.37Å
31G74.1Confident86.8Confident31 Ų3143.6 Ų43.632%0.3224%0.24SC..SBendtrans133-170.5177.100000113.9G29 S33 N129G29-G31 PolarHBondContact O-N 2.8Å; G31-S33 VanDerWaalsContact C-N 3.3Å; G31-S33 PolarHBondContact O-N 2.88Å; G31-S33 VanDerWaalsContact O-N 3.13Å; G31-N129 WeakPolarHBondContact O-CA 3.46Å; G31-N129 WeakPolarHBondContact O-CB 3.44Å
32T78.5Confident86.8Confident55 Ų5553 Ų5334%0.33728%0.281SS..SBendtrans-86.863.7-179.454.10000110.8N67 V71 C127T32-N67 PolarHBondContact OG1-ND2 3.05Å; T32-N67 PolarHBondContact OG1-OD1 3.18Å; T32-V71 WeakPolarHBondContact O-CG2 3.45Å; T32-C127 PolarHBondContact O-SG 3.47Å
33S82.2Confident86.9Confident6 Ų647.3 Ų47.34%0.04226%0.258CS..  trans-122.87.6-176.2590000113.4G31 A74 G98 D128G31-S33 VanDerWaalsContact C-N 3.3Å; G31-S33 PolarHBondContact O-N 2.88Å; G31-S33 VanDerWaalsContact O-N 3.13Å; S33-A74 WeakPolarHBondContact O-CB 3.5Å; S33-G98 VanDerWaalsContact O-CA 3.24Å; S33-G98 WeakPolarHBondContact O-CA 3.32Å; S33-D128 PolarHBondContact N-O 3.48Å
34M90.2Very high87.2Confident0 Ų050.4 Ų50.40%027%0.265CS..EExtended strand (participates in β ladder)trans-100.7106.5-178.5-52-66.2-81.300109.3A27 I100 C127 D128 F131A27-M34 HydrophobicContact CB-CE 4.44Å; M34-I100 HydrophobicContact CE-CG2 3.48Å; M34-I100 VanDerWaalsContact CE-CG2 3.48Å; M34-I100 HydrophobicContact SD-CG2 4.05Å; M34-C127 WeakPolarHBondContact O-CA 3.35Å; M34-D128 WeakPolarHBondContact CB-O 3.48Å; M34-D128 PolarHBondContact N-O 3.46Å; M34-D128 PolarHBondContact O-N 3.01Å; M34-F131 HydrophobicContact CB-CD1 4.03Å; M34-F131 HydrophobicContact CB-CE1 3.99Å; M34-F131 HydrophobicContact CE-CD1 4Å; M34-F131 HydrophobicContact CE-CD2 3.43Å; M34-F131 VanDerWaalsContact CE-CD2 3.43Å; M34-F131 HydrophobicContact CE-CE1 3.68Å; M34-F131 HydrophobicContact CE-CE2 3.08Å; M34-F131 HydrophobicContact CE-CG 3.9Å; M34-F131 HydrophobicContact CE-CZ 3.22Å; M34-F131 HydrophobicContact SD-CE1 4.31Å; M34-F131 HydrophobicContact SD-CE2 4.46Å; M34-F131 HydrophobicContact SD-CZ 4.08Å
35I93.4Very high87.4Confident0 Ų051.5 Ų51.50%027%0.271CS..EExtended strand (participates in β ladder)trans-93.5123.1177.4-58.1176.7000109.1L37 A74 I75 V78 C97 Y125 L126I35-L37 HydrophobicContact CG2-CB 4.45Å; I35-A74 HydrophobicContact CD1-CB 3.62Å; I35-A74 HydrophobicContact CG1-CB 4.04Å; I35-I75 HydrophobicContact CD1-CB 4.33Å; I35-I75 HydrophobicContact CD1-CG1 3.65Å; I35-V78 HydrophobicContact CB-CG2 4.2Å; I35-V78 HydrophobicContact CD1-CG2 4.04Å; I35-V78 HydrophobicContact CG2-CG2 4.04Å; I35-C97 PolarHBondContact N-O 2.8Å; I35-C97 PolarHBondContact O-N 3.08Å; I35-Y125 HydrophobicContact CG2-CD2 4.18Å; I35-Y125 HydrophobicContact CG2-CE2 3.85Å; I35-L126 WeakPolarHBondContact CA-O 3.49Å
36S94.4Very high87.7Confident0 Ų050 Ų500%027%0.272CS..EExtended strand (participates in β ladder)trans-108.4116.6167.3-53.50000107.9Y96 L124 Y125 L126 H132S36-Y96 WeakPolarHBondContact OG-CE1 3.37Å; S36-L124 WeakPolarHBondContact O-CD2 3.14Å; S36-Y125 WeakPolarHBondContact O-CA 3.14Å; S36-L126 PolarHBondContact N-O 3.23Å; S36-L126 PolarHBondContact O-N 2.92Å; S36-H132 PolarHBondContact OG-N 2.96Å
37L94.4Very high88Confident3 Ų351.9 Ų51.92%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-125.4121.8-179.617568.3000109.9I35 I39 V48 M51 L52 V78 V95 L124 Y125I35-L37 HydrophobicContact CG2-CB 4.45Å; L37-I39 HydrophobicContact CD1-CG1 4.29Å; L37-I39 HydrophobicContact CD2-CD1 4.29Å; L37-I39 HydrophobicContact CD2-CG1 4.5Å; L37-I39 HydrophobicContact CG-CD1 4.48Å; L37-I39 HydrophobicContact CG-CG1 4.15Å; L37-V48 HydrophobicContact CD1-CG1 3.92Å; L37-V48 HydrophobicContact CD2-CG1 3.88Å; L37-V48 HydrophobicContact CG-CG1 4.48Å; L37-M51 HydrophobicContact CD1-CE 4.16Å; L37-L52 HydrophobicContact CD2-CD1 4.41Å; L37-V78 HydrophobicContact CD2-CG1 3.66Å; L37-V95 HydrophobicContact CB-CB 4.27Å; L37-V95 HydrophobicContact CD2-CB 4.42Å; L37-V95 PolarHBondContact N-O 3.49Å; L37-V95 PolarHBondContact O-N 3.05Å; L37-L124 CarbonylContact C-O 3.57Å; L37-L124 WeakPolarHBondContact CA-O 3.33Å; L37-Y125 HydrophobicContact CD1-CD2 4.1Å
38I94.2Very high88.4Confident1 Ų151.5 Ų51.51%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-124.7124.1176.4-55.2179.5000108.5V94 I120 T122 S123 L124 A135I38-V94 HydrophobicContact CG1-CG1 4.33Å; I38-V94 HydrophobicContact CG1-CG2 4.36Å; I38-V94 HydrophobicContact CG2-CG2 4.27Å; I38-I120 HydrophobicContact CG2-CB 4.46Å; I38-I120 HydrophobicContact CG2-CD1 4.15Å; I38-I120 HydrophobicContact CG2-CG2 3.83Å; I38-T122 VanDerWaalsContact CG2-O 3.28Å; I38-T122 WeakPolarHBondContact CG2-O 3.39Å; I38-S123 WeakPolarHBondContact O-CA 3.2Å; I38-L124 HydrophobicContact CB-CB 4.05Å; I38-L124 HydrophobicContact CD1-CB 4.23Å; I38-L124 HydrophobicContact CG1-CB 4.23Å; I38-L124 PolarHBondContact N-O 2.7Å; I38-L124 PolarHBondContact O-N 3.4Å; I38-A135 HydrophobicContact CD1-CB 3.46Å; I38-A135 VanDerWaalsContact CD1-CB 3.46Å
39I93.9Very high88.9Confident1 Ų144 Ų441%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-114.2118.8-178.3-49.3176.5000108.2L37 D43 V48 L82 V88 G92 L93L37-I39 HydrophobicContact CD1-CG1 4.29Å; L37-I39 HydrophobicContact CD2-CD1 4.29Å; L37-I39 HydrophobicContact CD2-CG1 4.5Å; L37-I39 HydrophobicContact CG-CD1 4.48Å; L37-I39 HydrophobicContact CG-CG1 4.15Å; I39-D43 HydrophobicContact CG2-CB 3.95Å; I39-V48 HydrophobicContact CD1-CB 4.21Å; I39-V48 HydrophobicContact CD1-CG1 3.92Å; I39-V48 HydrophobicContact CD1-CG2 3.96Å; I39-V48 HydrophobicContact CG1-CG1 4.4Å; I39-V48 HydrophobicContact CG1-CG2 4.13Å; I39-V48 HydrophobicContact CG2-CG2 4.2Å; I39-L82 HydrophobicContact CD1-CD1 3.9Å; I39-V88 HydrophobicContact CG2-CG1 4.12Å; I39-V88 HydrophobicContact CG2-CG2 3.68Å; I39-G92 CarbonylContact O-C 3.46Å; I39-G92 WeakPolarHBondContact O-CA 3.43Å; I39-L93 HydrophobicContact CB-CB 4.29Å; I39-L93 HydrophobicContact CD1-CB 4.43Å; I39-L93 HydrophobicContact CD1-CD2 4.15Å; I39-L93 PolarHBondContact N-O 3.45Å; I39-L93 PolarHBondContact O-N 2.91Å
40P91.5Very high89.6Confident22 Ų2250.3 Ų50.314%0.14326%0.263CS..  trans-70.8157.3179.729.5-33.5000111.3D43 I120P40-D43 HydrophobicContact CG-CB 4.15Å; P40-D43 WeakPolarHBondContact O-CB 3.41Å; P40-D43 PolarHBondContact O-N 3.45Å; P40-I120 VanDerWaalsContact CA-O 3.25Å; P40-I120 WeakPolarHBondContact CA-O 3.4Å; P40-I120 VanDerWaalsContact CB-O 3.25Å; P40-I120 WeakPolarHBondContact CB-O 3.37Å
41P89.1Confident90.6Very high25 Ų2546.1 Ų46.116%0.16224%0.239CC..THydrogen-bonded Turntrans-64.3150.1176.631.1-34.7000109.9D43 P90 P119 I120P41-D43 PolarHBondContact O-N 3.47Å; P41-P90 WeakPolarHBondContact CB-O 3.2Å; P41-P119 HydrophobicContact CG-CB 4.24Å; P41-I120 WeakPolarHBondContact CD-O 3.44Å
42K87.1Confident91.6Very high205 Ų20544.6 Ų44.689%0.89122%0.224SC*.THydrogen-bonded Turntrans74.9-7.4-174.8-48172179.7175.10115.8
43D90.3Very high92.3Very high31 Ų3144.3 Ų44.317%0.16623%0.227CC..  trans-73.2162.1171.8-164.614.7000111.6I39 P40 P41 R47 V88I39-D43 HydrophobicContact CG2-CB 3.95Å; P40-D43 HydrophobicContact CG-CB 4.15Å; P40-D43 WeakPolarHBondContact O-CB 3.41Å; P40-D43 PolarHBondContact O-N 3.45Å; P41-D43 PolarHBondContact O-N 3.47Å; D43-R47 IonicContact OD1-CZ 2.88Å; D43-R47 IonicContact OD1-NE 2.69Å; D43-R47 PolarHBondContact OD1-NE 3.03Å; D43-R47 IonicContact OD1-NH2 3.74Å; D43-R47 IonicContact OD2-CZ 3.15Å; D43-R47 VanDerWaalsContact OD2-CZ 3.29Å; D43-R47 IonicContact OD2-NE 3.79Å; D43-R47 PolarHBondContact OD2-NE 3.3Å; D43-R47 VanDerWaalsContact OD2-NE 3.15Å; D43-R47 IonicContact OD2-NH2 3.29Å; D43-R47 PolarHBondContact OD2-NH2 3.21Å; D43-V88 WeakPolarHBondContact O-CG2 3.49Å
44Q91.6Very high92.9Very high131 Ų13148.7 Ų48.761%0.61225%0.25SS*.  trans-99.9129.4-178.2-62.9-175.87.800111.3S46 R47Q44-S46 PolarHBondContact O-N 3.25Å; Q44-S46 PolarHBondContact OE1-OG 3.35Å; Q44-R47 HydrophobicContact CB-CB 4.48Å; Q44-R47 WeakPolarHBondContact O-CB 3.24Å; Q44-R47 PolarHBondContact O-N 2.56Å; Q44-R47 VanDerWaalsContact O-N 3.13Å
45I92.6Very high93Very high24 Ų2452.3 Ų52.312%0.12327%0.267CS..Hα-helixtrans-58.4-36.2175.5-69-173.3000111.7R47 V48 A49 L82 Y85 V88I45-R47 VanDerWaalsContact C-N 3.29Å; I45-R47 PolarHBondContact O-N 3.3Å; I45-V48 PolarHBondContact O-N 3.42Å; I45-A49 WeakPolarHBondContact O-CB 3.5Å; I45-A49 PolarHBondContact O-N 2.95Å; I45-L82 HydrophobicContact CG1-CD1 4.46Å; I45-L82 HydrophobicContact CG2-CD1 3.86Å; I45-L82 HydrophobicContact CG2-CD2 4.04Å; I45-L82 HydrophobicContact CG2-CG 3.67Å; I45-Y85 VanDerWaalsContact CD1-CB 3.5Å; I45-Y85 WeakPolarHBondContact CD1-O 3.3Å; I45-V88 HydrophobicContact CD1-CG2 4.38Å; I45-V88 HydrophobicContact CG1-CG2 3.61Å
46S93.1Very high93.1Very high74 Ų7455.6 Ų55.652%0.51728%0.282SS..Hα-helixtrans-58.6-38177.8540000113.1Q44 A49 K50Q44-S46 PolarHBondContact O-N 3.25Å; Q44-S46 PolarHBondContact OE1-OG 3.35Å; S46-A49 PolarHBondContact O-N 3.37Å; S46-K50 WeakPolarHBondContact O-CB 3.41Å; S46-K50 PolarHBondContact O-N 3.41Å
47R93.7Very high93Very high120 Ų12057.5 Ų57.545%0.45330%0.301SS..Hα-helixtrans-61.9-47176.3-173.8-175.678.590.3-1.3110.7D43 Q44 I45 K50 M51D43-R47 IonicContact OD1-CZ 2.88Å; D43-R47 IonicContact OD1-NE 2.69Å; D43-R47 PolarHBondContact OD1-NE 3.03Å; D43-R47 IonicContact OD1-NH2 3.74Å; D43-R47 IonicContact OD2-CZ 3.15Å; D43-R47 VanDerWaalsContact OD2-CZ 3.29Å; D43-R47 IonicContact OD2-NE 3.79Å; D43-R47 PolarHBondContact OD2-NE 3.3Å; D43-R47 VanDerWaalsContact OD2-NE 3.15Å; D43-R47 IonicContact OD2-NH2 3.29Å; D43-R47 PolarHBondContact OD2-NH2 3.21Å; Q44-R47 HydrophobicContact CB-CB 4.48Å; Q44-R47 WeakPolarHBondContact O-CB 3.24Å; Q44-R47 PolarHBondContact O-N 2.56Å; Q44-R47 VanDerWaalsContact O-N 3.13Å; I45-R47 VanDerWaalsContact C-N 3.29Å; I45-R47 PolarHBondContact O-N 3.3Å; R47-K50 PolarHBondContact O-N 2.86Å; R47-M51 PolarHBondContact O-N 3.46Å
48V94Very high92.9Very high4 Ų461.3 Ų61.32%0.02432%0.324CS..Hα-helixtrans-70-39.7-179.8-178.10000111.2L37 I39 I45 K50 M51 L52 L82L37-V48 HydrophobicContact CD1-CG1 3.92Å; L37-V48 HydrophobicContact CD2-CG1 3.88Å; L37-V48 HydrophobicContact CG-CG1 4.48Å; I39-V48 HydrophobicContact CD1-CB 4.21Å; I39-V48 HydrophobicContact CD1-CG1 3.92Å; I39-V48 HydrophobicContact CD1-CG2 3.96Å; I39-V48 HydrophobicContact CG1-CG1 4.4Å; I39-V48 HydrophobicContact CG1-CG2 4.13Å; I39-V48 HydrophobicContact CG2-CG2 4.2Å; I45-V48 PolarHBondContact O-N 3.42Å; V48-K50 VanDerWaalsContact C-N 3.31Å; V48-K50 PolarHBondContact O-N 3.4Å; V48-M51 HydrophobicContact CG1-CE 4.18Å; V48-M51 WeakPolarHBondContact O-CB 3.5Å; V48-M51 PolarHBondContact O-N 3.32Å; V48-L52 HydrophobicContact CG1-CD1 4.3Å; V48-L52 HydrophobicContact CG1-CG 4.49Å; V48-L52 WeakPolarHBondContact O-CG 3.1Å; V48-L52 PolarHBondContact O-N 2.93Å; V48-L82 HydrophobicContact CB-CD2 4.24Å; V48-L82 HydrophobicContact CG1-CD2 4.02Å
49A94.1Very high92.7Very high40 Ų4061.7 Ų61.733%0.33133%0.328SS..Hα-helixtrans-60.8-40.617500000112.1I45 S46 L52 A53 L82I45-A49 WeakPolarHBondContact O-CB 3.5Å; I45-A49 PolarHBondContact O-N 2.95Å; S46-A49 PolarHBondContact O-N 3.37Å; A49-L52 PolarHBondContact O-N 3.38Å; A49-A53 PolarHBondContact O-N 3.08Å; A49-A53 VanDerWaalsContact O-N 3.09Å; A49-L82 HydrophobicContact CB-CD2 4.05Å
50K95.4Very high92.7Very high143 Ų14363.7 Ų63.762%0.62234%0.342SS*.Hα-helixtrans-64.1-47.9174-174.7-178.2176.4-175.70111.6S46 R47 V48 L52 A53 D54S46-K50 WeakPolarHBondContact O-CB 3.41Å; S46-K50 PolarHBondContact O-N 3.41Å; R47-K50 PolarHBondContact O-N 2.86Å; V48-K50 VanDerWaalsContact C-N 3.31Å; V48-K50 PolarHBondContact O-N 3.4Å; K50-L52 VanDerWaalsContact C-N 3.31Å; K50-L52 PolarHBondContact O-N 3.27Å; K50-A53 WeakPolarHBondContact O-CB 3.45Å; K50-A53 PolarHBondContact O-N 3.44Å; K50-D54 PolarHBondContact O-N 3.48Å
51M94.9Very high92.7Very high52 Ų5268.9 Ų68.926%0.25637%0.368SS..Hα-helixtrans-55.3-46.2176.1-178.6-165.37700111.5L37 R47 V48 A53 D54 E55 Y125L37-M51 HydrophobicContact CD1-CE 4.16Å; R47-M51 PolarHBondContact O-N 3.46Å; V48-M51 HydrophobicContact CG1-CE 4.18Å; V48-M51 WeakPolarHBondContact O-CB 3.5Å; V48-M51 PolarHBondContact O-N 3.32Å; M51-A53 VanDerWaalsContact C-N 3.28Å; M51-A53 PolarHBondContact O-N 3.36Å; M51-D54 PolarHBondContact O-N 2.87Å; M51-E55 WeakPolarHBondContact O-CB 3.35Å; M51-E55 VanDerWaalsContact O-CG 3.25Å; M51-E55 WeakPolarHBondContact O-CG 3.41Å; M51-E55 PolarHBondContact O-N 2.94Å; M51-Y125 HydrophobicContact CE-CD1 4.09Å; M51-Y125 HydrophobicContact CE-CD2 3.7Å; M51-Y125 HydrophobicContact CE-CE2 4.28Å; M51-Y125 HydrophobicContact CE-CG 3.57Å; M51-Y125 HydrophobicContact SD-CD1 4.46Å; M51-Y125 HydrophobicContact SD-CG 4.35Å
52L94.3Very high92.7Very high0 Ų070 Ų700%037%0.372CS..Hα-helixtrans-63.7-31.4176.7-68.9171.7000113L37 V48 A49 K50 F56 I75 V78 Q79 L82 Y125L37-L52 HydrophobicContact CD2-CD1 4.41Å; V48-L52 HydrophobicContact CG1-CD1 4.3Å; V48-L52 HydrophobicContact CG1-CG 4.49Å; V48-L52 WeakPolarHBondContact O-CG 3.1Å; V48-L52 PolarHBondContact O-N 2.93Å; A49-L52 PolarHBondContact O-N 3.38Å; K50-L52 VanDerWaalsContact C-N 3.31Å; K50-L52 PolarHBondContact O-N 3.27Å; L52-F56 WeakPolarHBondContact O-CB 3.48Å; L52-F56 PolarHBondContact O-N 2.88Å; L52-I75 HydrophobicContact CB-CG2 4.39Å; L52-I75 WeakPolarHBondContact O-CG2 3.5Å; L52-V78 HydrophobicContact CD1-CB 4.44Å; L52-V78 HydrophobicContact CD1-CG1 3.64Å; L52-V78 HydrophobicContact CD2-CG1 4.23Å; L52-Q79 HydrophobicContact CB-CG 3.89Å; L52-Q79 HydrophobicContact CD1-CG 4.1Å; L52-Q79 PolarHBondContact O-NE2 2.97Å; L52-L82 HydrophobicContact CD1-CD2 3.95Å; L52-Y125 HydrophobicContact CD2-CD2 4.28Å; L52-Y125 HydrophobicContact CD2-CE2 3.64Å
53A94.6Very high92.9Very high49 Ų4970.2 Ų70.241%0.40537%0.373SS..Hα-helixtrans-71.4-39.6175.400000112A49 K50 M51 F56 G57A49-A53 PolarHBondContact O-N 3.08Å; A49-A53 VanDerWaalsContact O-N 3.09Å; K50-A53 WeakPolarHBondContact O-CB 3.45Å; K50-A53 PolarHBondContact O-N 3.44Å; M51-A53 VanDerWaalsContact C-N 3.28Å; M51-A53 PolarHBondContact O-N 3.36Å; A53-F56 WeakPolarHBondContact O-CB 3.49Å; A53-F56 PolarHBondContact O-N 3.26Å; A53-G57 PolarHBondContact O-N 2.76Å; A53-G57 VanDerWaalsContact O-N 3.1Å
54D94.7Very high92.8Very high98 Ų9871.9 Ų71.952%0.52439%0.387SS..Hα-helixtrans-64.8-42.5175.3-65-25.2000110.8K50 M51 G57 T58K50-D54 PolarHBondContact O-N 3.48Å; M51-D54 PolarHBondContact O-N 2.87Å; D54-G57 PolarHBondContact O-N 3.38Å; D54-T58 PolarHBondContact O-N 3.39Å; D54-T58 PolarHBondContact O-OG1 3.38Å
55E92.7Very high92.7Very high75 Ų7574.5 Ų74.535%0.3539%0.392SS..Hα-helixtrans-63.5-38.5174.6-71.4-68.9139.900112.5M51 G57 T58 A59 I75 Y125M51-E55 WeakPolarHBondContact O-CB 3.35Å; M51-E55 VanDerWaalsContact O-CG 3.25Å; M51-E55 WeakPolarHBondContact O-CG 3.41Å; M51-E55 PolarHBondContact O-N 2.94Å; E55-G57 VanDerWaalsContact C-N 3.32Å; E55-G57 PolarHBondContact O-N 2.93Å; E55-T58 VanDerWaalsContact CA-OG1 3.31Å; E55-T58 WeakPolarHBondContact CA-OG1 3.43Å; E55-T58 PolarHBondContact O-N 3.37Å; E55-T58 PolarHBondContact O-OG1 2.95Å; E55-A59 VanDerWaalsContact O-CB 3.26Å; E55-A59 WeakPolarHBondContact O-CB 3.42Å; E55-A59 PolarHBondContact O-N 2.66Å; E55-I75 HydrophobicContact CB-CD1 4.19Å; E55-Y125 WeakPolarHBondContact CB-OH 3.32Å; E55-Y125 HydrophobicContact CG-CE1 3.67Å; E55-Y125 WeakPolarHBondContact CG-OH 3.31Å; E55-Y125 PolarHBondContact OE2-OH 2.96Å
56F94.1Very high92.4Very high70 Ų7078.5 Ų78.531%0.30742%0.417SS..Hα-helixtrans-61.9-40.9173.3-171.7-88.2000111.8L52 A53 S60 L72 I75 T76L52-F56 WeakPolarHBondContact O-CB 3.48Å; L52-F56 PolarHBondContact O-N 2.88Å; A53-F56 WeakPolarHBondContact O-CB 3.49Å; A53-F56 PolarHBondContact O-N 3.26Å; F56-S60 PolarHBondContact O-N 3.02Å; F56-S60 PolarHBondContact O-OG 2.87Å; F56-L72 HydrophobicContact CD1-CD2 4.17Å; F56-L72 HydrophobicContact CD2-CD2 3.64Å; F56-L72 HydrophobicContact CE1-CD2 4.09Å; F56-L72 HydrophobicContact CE2-CB 3.96Å; F56-L72 HydrophobicContact CE2-CD2 3.56Å; F56-L72 HydrophobicContact CE2-CG 4.3Å; F56-L72 HydrophobicContact CG-CD2 3.96Å; F56-L72 HydrophobicContact CZ-CB 4.47Å; F56-L72 HydrophobicContact CZ-CD2 3.79Å; F56-L72 WeakPolarHBondContact O-CD2 3.49Å; F56-I75 HydrophobicContact CB-CG2 4Å; F56-I75 HydrophobicContact CD2-CB 4.24Å; F56-I75 HydrophobicContact CD2-CG2 3.99Å; F56-T76 WeakPolarHBondContact CE2-OG1 3.4Å
57G93.9Very high92.1Very high39 Ų3977.3 Ų77.340%0.40241%0.405SS..Hα-helixtrans-63.9-42.4175.500000112.5A53 D54 E55 S60A53-G57 PolarHBondContact O-N 2.76Å; A53-G57 VanDerWaalsContact O-N 3.1Å; D54-G57 PolarHBondContact O-N 3.38Å; E55-G57 VanDerWaalsContact C-N 3.32Å; E55-G57 PolarHBondContact O-N 2.93Å; G57-S60 WeakPolarHBondContact O-CB 3.22Å; G57-S60 PolarHBondContact O-N 2.81Å
58T91.8Very high91.9Very high83 Ų8375.9 Ų75.951%0.50940%0.399SS..Hα-helixtrans-69.7-41.6177.612.70000112.1D54 E55 S60 N61D54-T58 PolarHBondContact O-N 3.39Å; D54-T58 PolarHBondContact O-OG1 3.38Å; E55-T58 VanDerWaalsContact CA-OG1 3.31Å; E55-T58 WeakPolarHBondContact CA-OG1 3.43Å; E55-T58 PolarHBondContact O-N 3.37Å; E55-T58 PolarHBondContact O-OG1 2.95Å; T58-S60 PolarHBondContact O-N 3.4Å; T58-N61 WeakPolarHBondContact O-CB 3.32Å; T58-N61 PolarHBondContact O-N 2.87Å; T58-N61 VanDerWaalsContact O-N 3.08Å
59A90.6Very high91.7Very high9 Ų980.6 Ų80.67%0.07442%0.424CS..Hα-helixtrans-60.6-26.3176.500000113.1E55 N61 I62 V71 L72 I75E55-A59 VanDerWaalsContact O-CB 3.26Å; E55-A59 WeakPolarHBondContact O-CB 3.42Å; E55-A59 PolarHBondContact O-N 2.66Å; A59-N61 PolarHBondContact O-N 3Å; A59-I62 HydrophobicContact CB-CD1 4.2Å; A59-I62 WeakPolarHBondContact O-CB 3.24Å; A59-I62 WeakPolarHBondContact O-CD1 3.38Å; A59-I62 VanDerWaalsContact O-CG1 3.24Å; A59-I62 WeakPolarHBondContact O-CG1 3.29Å; A59-I62 PolarHBondContact O-N 3.26Å; A59-I62 VanDerWaalsContact O-N 3.15Å; A59-V71 HydrophobicContact CB-CB 4.41Å; A59-V71 HydrophobicContact CB-CG1 3.57Å; A59-L72 HydrophobicContact CB-CD2 3.85Å; A59-I75 HydrophobicContact CB-CD1 4.11Å
60S92Very high91.4Very high44 Ų4480.6 Ų80.631%0.30842%0.421SS..THydrogen-bonded Turntrans-63.7-23.5176.6-63.60000113.2F56 G57 T58 I62 R68F56-S60 PolarHBondContact O-N 3.02Å; F56-S60 PolarHBondContact O-OG 2.87Å; G57-S60 WeakPolarHBondContact O-CB 3.22Å; G57-S60 PolarHBondContact O-N 2.81Å; T58-S60 PolarHBondContact O-N 3.4Å; S60-I62 VanDerWaalsContact C-N 3.31Å; S60-I62 PolarHBondContact O-N 2.93Å; S60-R68 WeakPolarHBondContact O-CD 3.45Å; S60-R68 PolarHBondContact O-NH1 2.99Å
61N91.9Very high91.1Very high130 Ų13074.2 Ų74.270%0.69540%0.395SS*.THydrogen-bonded Turntrans-82.2-3178.1-63.4-40.3000113.9T58 A59 K63T58-N61 WeakPolarHBondContact O-CB 3.32Å; T58-N61 PolarHBondContact O-N 2.87Å; T58-N61 VanDerWaalsContact O-N 3.08Å; A59-N61 PolarHBondContact O-N 3Å; N61-K63 PolarHBondContact O-N 3.22Å
62I89.6Confident90.9Very high48 Ų4873.1 Ų73.125%0.24639%0.39CS..  trans-63.2125.4177.2-65.6169.5000109.8A59 S60 N67 R68 V71A59-I62 HydrophobicContact CB-CD1 4.2Å; A59-I62 WeakPolarHBondContact O-CB 3.24Å; A59-I62 WeakPolarHBondContact O-CD1 3.38Å; A59-I62 VanDerWaalsContact O-CG1 3.24Å; A59-I62 WeakPolarHBondContact O-CG1 3.29Å; A59-I62 PolarHBondContact O-N 3.26Å; A59-I62 VanDerWaalsContact O-N 3.15Å; S60-I62 VanDerWaalsContact C-N 3.31Å; S60-I62 PolarHBondContact O-N 2.93Å; I62-N67 HydrophobicContact CG2-CB 4.3Å; I62-R68 HydrophobicContact CB-CB 3.91Å; I62-R68 HydrophobicContact CB-CG 4.3Å; I62-R68 HydrophobicContact CG2-CB 4.02Å; I62-R68 WeakPolarHBondContact O-CD 3.33Å; I62-V71 HydrophobicContact CD1-CB 4.26Å; I62-V71 HydrophobicContact CD1-CG1 4.41Å; I62-V71 HydrophobicContact CD1-CG2 4.01Å
63K91.3Very high90.7Very high210 Ų21074.5 Ų74.591%0.91340%0.403SS*.SBendtrans-70.3-37.6-176.8-64.2-178.2-179.4178.70113.2N61 R65N61-K63 PolarHBondContact O-N 3.22Å; K63-R65 PolarHBondContact O-N 3.25Å
64S88.9Confident90.6Very high66 Ų6672.3 Ų72.346%0.46239%0.385SS..  trans-70.8114.9178.21760000110.1V66 N67 R68S64-V66 VanDerWaalsContact C-N 3.32Å; S64-V66 PolarHBondContact O-N 3.47Å; S64-N67 PolarHBondContact O-N 3.41Å; S64-R68 VanDerWaalsContact O-CB 3.23Å; S64-R68 WeakPolarHBondContact O-CB 3.34Å; S64-R68 PolarHBondContact O-N 3.04Å
65R88.6Confident90.5Very high187 Ų18767.7 Ų67.771%0.70636%0.361SS*.Hα-helixtrans-56.9-44.2-178.8176.5-179162.1-173.9-5.2112.2K63 L69K63-R65 PolarHBondContact O-N 3.25Å; R65-L69 HydrophobicContact CG-CD1 4.1Å; R65-L69 WeakPolarHBondContact O-CG 3.3Å; R65-L69 PolarHBondContact O-N 2.78Å; R65-L69 VanDerWaalsContact O-N 3.09Å
66V87.3Confident90.5Very high107 Ų10766.3 Ų66.365%0.64836%0.357SS*.Hα-helixtrans-68.5-47-177.1-179.20000110.8S64 R68 L69 S70S64-V66 VanDerWaalsContact C-N 3.32Å; S64-V66 PolarHBondContact O-N 3.47Å; V66-R68 PolarHBondContact O-N 3.42Å; V66-L69 PolarHBondContact O-N 2.97Å; V66-S70 PolarHBondContact O-N 3.15Å; V66-S70 VanDerWaalsContact O-N 3.11Å; V66-S70 PolarHBondContact O-OG 2.81Å
67N85.8Confident90.5Very high49 Ų4963.8 Ų63.826%0.26235%0.348SS..Hα-helixtrans-65.9-41.5179-164.122.3000111.2T32 I62 S64 L69 S70 V71T32-N67 PolarHBondContact OG1-ND2 3.05Å; T32-N67 PolarHBondContact OG1-OD1 3.18Å; I62-N67 HydrophobicContact CG2-CB 4.3Å; S64-N67 PolarHBondContact O-N 3.41Å; N67-L69 PolarHBondContact O-N 3.08Å; N67-S70 PolarHBondContact O-N 3.25Å; N67-V71 WeakPolarHBondContact O-CG2 3.49Å; N67-V71 PolarHBondContact O-N 3.31Å
68R89.7Confident90.4Very high91 Ų9161.9 Ų61.934%0.34333%0.329SS..Hα-helixtrans-57-49.8176.1-177.7171.962.3-169.21.6112S60 I62 S64 V66 S70 V71 L72S60-R68 WeakPolarHBondContact O-CD 3.45Å; S60-R68 PolarHBondContact O-NH1 2.99Å; I62-R68 HydrophobicContact CB-CB 3.91Å; I62-R68 HydrophobicContact CB-CG 4.3Å; I62-R68 HydrophobicContact CG2-CB 4.02Å; I62-R68 WeakPolarHBondContact O-CD 3.33Å; S64-R68 VanDerWaalsContact O-CB 3.23Å; S64-R68 WeakPolarHBondContact O-CB 3.34Å; S64-R68 PolarHBondContact O-N 3.04Å; V66-R68 PolarHBondContact O-N 3.42Å; R68-S70 VanDerWaalsContact C-N 3.27Å; R68-S70 PolarHBondContact O-N 3.22Å; R68-V71 PolarHBondContact O-N 2.95Å; R68-L72 HydrophobicContact CG-CD1 3.72Å; R68-L72 HydrophobicContact CG-CG 4.24Å; R68-L72 WeakPolarHBondContact O-CB 3.44Å; R68-L72 WeakPolarHBondContact O-CG 3.48Å; R68-L72 PolarHBondContact O-N 3Å
69L89.3Confident90.5Very high102 Ų10260.4 Ų60.453%0.53432%0.316SS..Hα-helixtrans-62.2-37.5179.4-74.1169.2000112R65 V66 N67 G73R65-L69 HydrophobicContact CG-CD1 4.1Å; R65-L69 WeakPolarHBondContact O-CG 3.3Å; R65-L69 PolarHBondContact O-N 2.78Å; R65-L69 VanDerWaalsContact O-N 3.09Å; V66-L69 PolarHBondContact O-N 2.97Å; N67-L69 PolarHBondContact O-N 3.08Å; L69-G73 PolarHBondContact O-N 3.3Å
70S87.3Confident90.6Very high40 Ų4065.2 Ų65.228%0.2834%0.337SS..Hα-helixtrans-66.3-48.2178.9-560000111.8V66 N67 R68 G73 A74V66-S70 PolarHBondContact O-N 3.15Å; V66-S70 VanDerWaalsContact O-N 3.11Å; V66-S70 PolarHBondContact O-OG 2.81Å; N67-S70 PolarHBondContact O-N 3.25Å; R68-S70 VanDerWaalsContact C-N 3.27Å; R68-S70 PolarHBondContact O-N 3.22Å; S70-G73 PolarHBondContact O-N 2.88Å; S70-A74 PolarHBondContact O-N 3.28Å
71V89.4Confident90.5Very high10 Ų1067.4 Ų67.46%0.06134%0.339CS..Hα-helixtrans-63.4-47.9177.6177.50000111.1T32 A59 I62 N67 R68 G73 A74 I75T32-V71 WeakPolarHBondContact O-CG2 3.45Å; A59-V71 HydrophobicContact CB-CB 4.41Å; A59-V71 HydrophobicContact CB-CG1 3.57Å; I62-V71 HydrophobicContact CD1-CB 4.26Å; I62-V71 HydrophobicContact CD1-CG1 4.41Å; I62-V71 HydrophobicContact CD1-CG2 4.01Å; N67-V71 WeakPolarHBondContact O-CG2 3.49Å; N67-V71 PolarHBondContact O-N 3.31Å; R68-V71 PolarHBondContact O-N 2.95Å; V71-G73 VanDerWaalsContact C-N 3.28Å; V71-G73 PolarHBondContact O-N 3.24Å; V71-A74 PolarHBondContact O-N 3.31Å; V71-I75 HydrophobicContact CG1-CD1 3.82Å; V71-I75 HydrophobicContact CG1-CG1 4.39Å; V71-I75 WeakPolarHBondContact O-CG1 3.29Å; V71-I75 PolarHBondContact O-N 3.44Å
72L91.5Very high90.6Very high29 Ų2961.5 Ų61.515%0.15231%0.307CS..Hα-helixtrans-61.4-38.8178.3-67.2174.9000111.4F56 A59 R68 T76F56-L72 HydrophobicContact CD1-CD2 4.17Å; F56-L72 HydrophobicContact CD2-CD2 3.64Å; F56-L72 HydrophobicContact CE1-CD2 4.09Å; F56-L72 HydrophobicContact CE2-CB 3.96Å; F56-L72 HydrophobicContact CE2-CD2 3.56Å; F56-L72 HydrophobicContact CE2-CG 4.3Å; F56-L72 HydrophobicContact CG-CD2 3.96Å; F56-L72 HydrophobicContact CZ-CB 4.47Å; F56-L72 HydrophobicContact CZ-CD2 3.79Å; F56-L72 WeakPolarHBondContact O-CD2 3.49Å; A59-L72 HydrophobicContact CB-CD2 3.85Å; R68-L72 HydrophobicContact CG-CD1 3.72Å; R68-L72 HydrophobicContact CG-CG 4.24Å; R68-L72 WeakPolarHBondContact O-CB 3.44Å; R68-L72 WeakPolarHBondContact O-CG 3.48Å; R68-L72 PolarHBondContact O-N 3Å; L72-T76 WeakPolarHBondContact O-CB 3.39Å; L72-T76 PolarHBondContact O-N 3.16Å; L72-T76 PolarHBondContact O-OG1 3.35Å
73G90.6Very high90.7Very high28 Ų2867.2 Ų67.229%0.28933%0.33SS..Hα-helixtrans-64.5-41.5176.300000113L69 S70 V71 S77L69-G73 PolarHBondContact O-N 3.3Å; S70-G73 PolarHBondContact O-N 2.88Å; V71-G73 VanDerWaalsContact C-N 3.28Å; V71-G73 PolarHBondContact O-N 3.24Å; G73-S77 WeakPolarHBondContact O-CB 3.47Å; G73-S77 PolarHBondContact O-N 2.79Å; G73-S77 VanDerWaalsContact O-N 3.08Å; G73-S77 PolarHBondContact O-OG 2.86Å
74A91.4Very high90.7Very high3 Ų362.6 Ų62.63%0.02532%0.315CS..Hα-helixtrans-65.6-49.2176.700000111.4S33 I35 S70 V71 T76 S77 V78 C97S33-A74 WeakPolarHBondContact O-CB 3.5Å; I35-A74 HydrophobicContact CD1-CB 3.62Å; I35-A74 HydrophobicContact CG1-CB 4.04Å; S70-A74 PolarHBondContact O-N 3.28Å; V71-A74 PolarHBondContact O-N 3.31Å; A74-T76 VanDerWaalsContact C-N 3.32Å; A74-T76 PolarHBondContact O-N 3.4Å; A74-S77 WeakPolarHBondContact O-CB 3.49Å; A74-S77 PolarHBondContact O-N 2.87Å; A74-S77 VanDerWaalsContact O-N 3.09Å; A74-V78 WeakPolarHBondContact O-CG2 3.36Å; A74-V78 PolarHBondContact O-N 2.8Å; A74-C97 PolarHBondContact O-SG 3.42Å
75I93.1Very high90.9Very high1 Ų162.1 Ų62.11%0.00530%0.304CS..Hα-helixtrans-59.7-43.9178-64171.6000110.8I35 L52 E55 F56 A59 V71 S77 V78 Q79I35-I75 HydrophobicContact CD1-CB 4.33Å; I35-I75 HydrophobicContact CD1-CG1 3.65Å; L52-I75 HydrophobicContact CB-CG2 4.39Å; L52-I75 WeakPolarHBondContact O-CG2 3.5Å; E55-I75 HydrophobicContact CB-CD1 4.19Å; F56-I75 HydrophobicContact CB-CG2 4Å; F56-I75 HydrophobicContact CD2-CB 4.24Å; F56-I75 HydrophobicContact CD2-CG2 3.99Å; A59-I75 HydrophobicContact CB-CD1 4.11Å; V71-I75 HydrophobicContact CG1-CD1 3.82Å; V71-I75 HydrophobicContact CG1-CG1 4.39Å; V71-I75 WeakPolarHBondContact O-CG1 3.29Å; V71-I75 PolarHBondContact O-N 3.44Å; I75-S77 VanDerWaalsContact C-N 3.27Å; I75-S77 PolarHBondContact O-N 3.08Å; I75-V78 PolarHBondContact O-N 3.1Å; I75-Q79 HydrophobicContact CG2-CG 4.34Å; I75-Q79 WeakPolarHBondContact O-CG 3.5Å; I75-Q79 PolarHBondContact O-N 3.18Å
76T93.3Very high91Very high46 Ų4661.2 Ų61.228%0.28231%0.312SS..Hα-helixtrans-57.7-42.4176.5-56.30000111.6F56 L72 A74 Q79 Q80F56-T76 WeakPolarHBondContact CE2-OG1 3.4Å; L72-T76 WeakPolarHBondContact O-CB 3.39Å; L72-T76 PolarHBondContact O-N 3.16Å; L72-T76 PolarHBondContact O-OG1 3.35Å; A74-T76 VanDerWaalsContact C-N 3.32Å; A74-T76 PolarHBondContact O-N 3.4Å; T76-Q79 PolarHBondContact O-N 2.9Å; T76-Q80 WeakPolarHBondContact O-CG 3.48Å; T76-Q80 PolarHBondContact O-N 2.97Å
77S92.3Very high91.2Very high17 Ų1764 Ų6412%0.11932%0.316CS..Hα-helixtrans-67.1-42.1-179.1-60.90000111.5G73 A74 I75 Q80 R81 C97G73-S77 WeakPolarHBondContact O-CB 3.47Å; G73-S77 PolarHBondContact O-N 2.79Å; G73-S77 VanDerWaalsContact O-N 3.08Å; G73-S77 PolarHBondContact O-OG 2.86Å; A74-S77 WeakPolarHBondContact O-CB 3.49Å; A74-S77 PolarHBondContact O-N 2.87Å; A74-S77 VanDerWaalsContact O-N 3.09Å; I75-S77 VanDerWaalsContact C-N 3.27Å; I75-S77 PolarHBondContact O-N 3.08Å; S77-Q80 PolarHBondContact O-N 3.5Å; S77-R81 WeakPolarHBondContact O-CG 3.48Å; S77-R81 PolarHBondContact O-N 3.18Å; S77-C97 WeakPolarHBondContact CB-SG 3.41Å
78V93.4Very high91.5Very high0 Ų062.2 Ų62.20%031%0.307CS..Hα-helixtrans-62.2-45.1173178.80000111.3I35 L37 L52 A74 I75 Q80 R81 L82 V95 C97I35-V78 HydrophobicContact CB-CG2 4.2Å; I35-V78 HydrophobicContact CD1-CG2 4.04Å; I35-V78 HydrophobicContact CG2-CG2 4.04Å; L37-V78 HydrophobicContact CD2-CG1 3.66Å; L52-V78 HydrophobicContact CD1-CB 4.44Å; L52-V78 HydrophobicContact CD1-CG1 3.64Å; L52-V78 HydrophobicContact CD2-CG1 4.23Å; A74-V78 WeakPolarHBondContact O-CG2 3.36Å; A74-V78 PolarHBondContact O-N 2.8Å; I75-V78 PolarHBondContact O-N 3.1Å; V78-Q80 VanDerWaalsContact C-N 3.3Å; V78-Q80 PolarHBondContact O-N 3.48Å; V78-R81 PolarHBondContact O-N 3.13Å; V78-L82 WeakPolarHBondContact O-CB 3.42Å; V78-L82 PolarHBondContact O-N 3.27Å; V78-V95 HydrophobicContact CG1-CG1 4.21Å; V78-V95 HydrophobicContact CG2-CG1 4.42Å; V78-C97 HydrophobicContact CG2-CB 3.28Å
79Q92.9Very high91.6Very high51 Ų5158.8 Ų58.824%0.23830%0.296CS..Hα-helixtrans-60.2-39.6177.4-74.9178.5-10.700112.2L52 I75 T76 L82 K83L52-Q79 HydrophobicContact CB-CG 3.89Å; L52-Q79 HydrophobicContact CD1-CG 4.1Å; L52-Q79 PolarHBondContact O-NE2 2.97Å; I75-Q79 HydrophobicContact CG2-CG 4.34Å; I75-Q79 WeakPolarHBondContact O-CG 3.5Å; I75-Q79 PolarHBondContact O-N 3.18Å; T76-Q79 PolarHBondContact O-N 2.9Å; Q79-L82 PolarHBondContact O-N 2.92Å; Q79-K83 WeakPolarHBondContact O-CG 3.49Å; Q79-K83 PolarHBondContact O-N 2.93Å
80Q93Very high91.5Very high110 Ų11058.8 Ų58.851%0.51430%0.302SS..Hα-helixtrans-65.7-40.7176.3-75176.3-400112.2T76 S77 V78T76-Q80 WeakPolarHBondContact O-CG 3.48Å; T76-Q80 PolarHBondContact O-N 2.97Å; S77-Q80 PolarHBondContact O-N 3.5Å; V78-Q80 VanDerWaalsContact C-N 3.3Å; V78-Q80 PolarHBondContact O-N 3.48Å
81R90.6Very high91.5Very high90 Ų9058.9 Ų58.934%0.3430%0.3SS..Hα-helixtrans-65.1-44.4174.5-71.2-64.1102.31523.2111.9S77 V78 K83 L84 D113S77-R81 WeakPolarHBondContact O-CG 3.48Å; S77-R81 PolarHBondContact O-N 3.18Å; V78-R81 PolarHBondContact O-N 3.13Å; R81-K83 PolarHBondContact O-N 3.32Å; R81-K83 VanDerWaalsContact O-N 3.17Å; R81-L84 VanDerWaalsContact O-CB 3.28Å; R81-L84 WeakPolarHBondContact O-CB 3.43Å; R81-L84 PolarHBondContact O-N 2.96Å; R81-D113 WeakPolarHBondContact CD-OD1 3.28Å
82L92.6Very high91.6Very high6 Ų658.4 Ų58.43%0.03130%0.297CS..Hα-helixtrans-60.8-29.5-178.5-168.664.5000112.4I39 I45 V48 A49 L52 V78 Q79 L84 Y85 L93I39-L82 HydrophobicContact CD1-CD1 3.9Å; I45-L82 HydrophobicContact CG1-CD1 4.46Å; I45-L82 HydrophobicContact CG2-CD1 3.86Å; I45-L82 HydrophobicContact CG2-CD2 4.04Å; I45-L82 HydrophobicContact CG2-CG 3.67Å; V48-L82 HydrophobicContact CB-CD2 4.24Å; V48-L82 HydrophobicContact CG1-CD2 4.02Å; A49-L82 HydrophobicContact CB-CD2 4.05Å; L52-L82 HydrophobicContact CD1-CD2 3.95Å; V78-L82 WeakPolarHBondContact O-CB 3.42Å; V78-L82 PolarHBondContact O-N 3.27Å; Q79-L82 PolarHBondContact O-N 2.92Å; L82-L84 PolarHBondContact O-N 3.32Å; L82-Y85 PolarHBondContact O-N 3.25Å; L82-L93 HydrophobicContact CD1-CD2 4.07Å
83K92Very high91.7Very high168 Ų16857 Ų5773%0.7329%0.289SS*.THydrogen-bonded Turntrans-66-20.3174.3-73.4174.7-176.4-177.50114.4Q79 R81 Y85Q79-K83 WeakPolarHBondContact O-CG 3.49Å; Q79-K83 PolarHBondContact O-N 2.93Å; R81-K83 PolarHBondContact O-N 3.32Å; R81-K83 VanDerWaalsContact O-N 3.17Å; K83-Y85 PolarHBondContact O-N 2.85Å
84L92.8Very high91.8Very high113 Ų11355.7 Ų55.759%0.59228%0.276SS*.THydrogen-bonded Turntrans-70.9-20.6175.6-60174.6000111.8R81 L82R81-L84 VanDerWaalsContact O-CB 3.28Å; R81-L84 WeakPolarHBondContact O-CB 3.43Å; R81-L84 PolarHBondContact O-N 2.96Å; L82-L84 PolarHBondContact O-N 3.32Å
85Y92.4Very high91.9Very high57 Ų5755.6 Ų55.622%0.22428%0.275CS..  trans-103.1120-178-63.8-89.1000110.7I45 L82 K83 P89 L93 D113I45-Y85 VanDerWaalsContact CD1-CB 3.5Å; I45-Y85 WeakPolarHBondContact CD1-O 3.3Å; L82-Y85 PolarHBondContact O-N 3.25Å; K83-Y85 PolarHBondContact O-N 2.85Å; Y85-P89 HydrophobicContact CD1-CG 4.27Å; Y85-P89 HydrophobicContact CE1-CG 4.35Å; Y85-L93 HydrophobicContact CD1-CD1 4.26Å; Y85-L93 HydrophobicContact CD1-CD2 4.48Å; Y85-L93 HydrophobicContact CD2-CD1 4.41Å; Y85-L93 HydrophobicContact CD2-CD2 3.93Å; Y85-L93 HydrophobicContact CE1-CD1 3.81Å; Y85-L93 HydrophobicContact CE2-CD1 3.99Å; Y85-L93 HydrophobicContact CE2-CD2 4.23Å; Y85-L93 HydrophobicContact CG-CD2 4.08Å; Y85-D113 HydrophobicContact CE2-CB 4.36Å; Y85-D113 VanDerWaalsContact CE2-OD2 3.27Å; Y85-D113 WeakPolarHBondContact CE2-OD2 3.46Å; Y85-D113 PolarHBondContact OH-OD2 3.24Å
86N90.8Very high92Very high167 Ų16755.5 Ų55.589%0.89328%0.275SS*.SBendtrans-76.6-32.3174.2-70.5-33.6000112.3
87K91.8Very high91.9Very high167 Ų16753.5 Ų53.573%0.72626%0.262SS*.SBendtrans-146.2151.2179.7-170.3178.1178.6-177.70109.6
88V91.7Very high91.8Very high11 Ų1152.8 Ų52.87%0.06726%0.257CS..  trans-61.4127.7172.8-173.60000108.6I39 D43 I45 L93I39-V88 HydrophobicContact CG2-CG1 4.12Å; I39-V88 HydrophobicContact CG2-CG2 3.68Å; D43-V88 WeakPolarHBondContact O-CG2 3.49Å; I45-V88 HydrophobicContact CD1-CG2 4.38Å; I45-V88 HydrophobicContact CG1-CG2 3.61Å; V88-L93 HydrophobicContact CG1-CB 4.32Å
89P92.4Very high91.6Very high19 Ų1954 Ų5412%0.12327%0.265CS..  trans-57.4161.4175.5-22.733.3000113.1Y85 N91 G92 E115Y85-P89 HydrophobicContact CD1-CG 4.27Å; Y85-P89 HydrophobicContact CE1-CG 4.35Å; P89-N91 PolarHBondContact O-N 3.38Å; P89-G92 PolarHBondContact O-N 3.25Å; P89-E115 HydrophobicContact CB-CB 4.17Å; P89-E115 HydrophobicContact CB-CG 3.81Å; P89-E115 VanDerWaalsContact CB-OE1 3.3Å; P89-E115 WeakPolarHBondContact CB-OE1 3.19Å; P89-E115 VanDerWaalsContact CB-OE2 3.31Å; P89-E115 WeakPolarHBondContact CB-OE2 3.38Å; P89-E115 HydrophobicContact CG-CB 4.36Å
90P87.3Confident91.3Very high102 Ų10252.9 Ų52.966%0.66226%0.26SS*.THydrogen-bonded Turntrans-61-27-173.523.7-33.6000114.4P41 E115P41-P90 WeakPolarHBondContact CB-O 3.2Å; P90-E115 WeakPolarHBondContact CD-OE1 3.42Å; P90-E115 VanDerWaalsContact CG-OE1 3.26Å; P90-E115 WeakPolarHBondContact CG-OE1 3.5Å
91N86.8Confident90.9Very high41 Ų4150 Ų5022%0.21925%0.25CS..THydrogen-bonded Turntrans-95.6-1.5177.5-62.8-26000114P89 E115 P116 P119 I120P89-N91 PolarHBondContact O-N 3.38Å; N91-E115 HydrophobicContact CB-CG 3.92Å; N91-E115 WeakPolarHBondContact CB-OE1 2.75Å; N91-E115 PolarHBondContact N-OE1 3.15Å; N91-P116 HydrophobicContact CB-CG 4.16Å; N91-P116 WeakPolarHBondContact CB-O 3.37Å; N91-P116 PolarHBondContact ND2-O 3.01Å; N91-P116 WeakPolarHBondContact O-CG 3.48Å; N91-P119 VanDerWaalsContact O-CA 3.31Å; N91-P119 WeakPolarHBondContact O-CA 3.47Å; N91-P119 WeakPolarHBondContact OD1-CD 3.22Å; N91-P119 WeakPolarHBondContact OD1-CG 3.3Å; N91-I120 PolarHBondContact O-N 3.12Å; N91-I120 VanDerWaalsContact O-N 3.09Å
92G91.3Very high90.4Very high0 Ų047.9 Ų47.90%025%0.247CC..  trans102.6-176.8-172.900000112.3I39 P89 P116I39-G92 CarbonylContact O-C 3.46Å; I39-G92 WeakPolarHBondContact O-CA 3.43Å; P89-G92 PolarHBondContact O-N 3.25Å; G92-P116 WeakPolarHBondContact O-CD 3.3Å
93L93.3Very high89.6Confident0 Ų057.7 Ų57.70%029%0.293CS..EExtended strand (participates in β ladder)trans-135.5133.1178.2-176.365.2000109.8I39 L82 Y85 V88 V95I39-L93 HydrophobicContact CB-CB 4.29Å; I39-L93 HydrophobicContact CD1-CB 4.43Å; I39-L93 HydrophobicContact CD1-CD2 4.15Å; I39-L93 PolarHBondContact N-O 3.45Å; I39-L93 PolarHBondContact O-N 2.91Å; L82-L93 HydrophobicContact CD1-CD2 4.07Å; Y85-L93 HydrophobicContact CD1-CD1 4.26Å; Y85-L93 HydrophobicContact CD1-CD2 4.48Å; Y85-L93 HydrophobicContact CD2-CD1 4.41Å; Y85-L93 HydrophobicContact CD2-CD2 3.93Å; Y85-L93 HydrophobicContact CE1-CD1 3.81Å; Y85-L93 HydrophobicContact CE2-CD1 3.99Å; Y85-L93 HydrophobicContact CE2-CD2 4.23Å; Y85-L93 HydrophobicContact CG-CD2 4.08Å; V88-L93 HydrophobicContact CG1-CB 4.32Å; L93-V95 HydrophobicContact CD2-CG2 4.08Å; L93-V95 HydrophobicContact CG-CG2 3.98Å
94V93.4Very high88.9Confident0 Ų056.6 Ų56.60%029%0.29CS..EExtended strand (participates in β ladder)trans-116.7129.7174.1-1790000108.8I38 Y96 D113 F114 P116 I120 L136I38-V94 HydrophobicContact CG1-CG1 4.33Å; I38-V94 HydrophobicContact CG1-CG2 4.36Å; I38-V94 HydrophobicContact CG2-CG2 4.27Å; V94-Y96 HydrophobicContact CG1-CD2 3.91Å; V94-Y96 HydrophobicContact CG1-CE2 3.44Å; V94-Y96 VanDerWaalsContact CG1-CE2 3.44Å; V94-D113 WeakPolarHBondContact O-CA 3.36Å; V94-F114 HydrophobicContact CB-CE1 4.09Å; V94-F114 HydrophobicContact CB-CZ 4.09Å; V94-F114 HydrophobicContact CG1-CE1 4Å; V94-F114 HydrophobicContact CG1-CZ 4.14Å; V94-F114 PolarHBondContact N-O 2.87Å; V94-F114 VanDerWaalsContact N-O 3.11Å; V94-F114 PolarHBondContact O-N 2.83Å; V94-F114 VanDerWaalsContact O-N 3.12Å; V94-P116 HydrophobicContact CG2-CG 4.49Å; V94-I120 HydrophobicContact CG2-CD1 3.72Å; V94-L136 HydrophobicContact CG1-CD1 4.28Å; V94-L136 HydrophobicContact CG2-CD2 4.07Å
95V93.9Very high88.1Confident1 Ų153.8 Ų53.81%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-130.8120.1179-173.10000109.2L37 V78 L93 I112 D113L37-V95 HydrophobicContact CB-CB 4.27Å; L37-V95 HydrophobicContact CD2-CB 4.42Å; L37-V95 PolarHBondContact N-O 3.49Å; L37-V95 PolarHBondContact O-N 3.05Å; V78-V95 HydrophobicContact CG1-CG1 4.21Å; V78-V95 HydrophobicContact CG2-CG1 4.42Å; L93-V95 HydrophobicContact CD2-CG2 4.08Å; L93-V95 HydrophobicContact CG-CG2 3.98Å; V95-I112 CarbonylContact C-O 3.52Å; V95-I112 WeakPolarHBondContact CA-O 3.31Å; V95-D113 HydrophobicContact CG1-CB 4.5Å; V95-D113 HydrophobicContact CG2-CB 4.19Å
96Y94.1Very high87.7Confident0 Ų057.4 Ų57.40%031%0.306CS..EExtended strand (participates in β ladder)trans-110.9126.9169.4-69.6-69.8000109.6L24 S36 V94 I112 F131 H132 L136L24-Y96 HydrophobicContact CD1-CD2 3.42Å; L24-Y96 VanDerWaalsContact CD1-CD2 3.42Å; L24-Y96 HydrophobicContact CD1-CE2 3.5Å; L24-Y96 VanDerWaalsContact CD1-CE2 3.5Å; L24-Y96 HydrophobicContact CD1-CG 4.06Å; L24-Y96 HydrophobicContact CD2-CD2 4.16Å; L24-Y96 HydrophobicContact CD2-CG 4.03Å; L24-Y96 HydrophobicContact CG-CD2 4.46Å; S36-Y96 WeakPolarHBondContact OG-CE1 3.37Å; V94-Y96 HydrophobicContact CG1-CD2 3.91Å; V94-Y96 HydrophobicContact CG1-CE2 3.44Å; V94-Y96 VanDerWaalsContact CG1-CE2 3.44Å; Y96-I112 PolarHBondContact N-O 2.81Å; Y96-I112 PolarHBondContact O-N 2.89Å; Y96-F131 HydrophobicContact CD1-CB 3.9Å; Y96-F131 AromaticContact CD1-CD1 3.44Å; Y96-F131 HydrophobicContact CD1-CD1 3.44Å; Y96-F131 VanDerWaalsContact CD1-CD1 3.44Å; Y96-F131 HydrophobicContact CD1-CE1 4.07Å; Y96-F131 AromaticContact CD1-CG 3.77Å; Y96-F131 HydrophobicContact CD1-CG 3.77Å; Y96-F131 HydrophobicContact CE1-CB 3.97Å; Y96-F131 HydrophobicContact CE1-CD1 4.27Å; Y96-F131 HydrophobicContact CE1-CG 4.36Å; Y96-F131 HydrophobicContact CG-CD1 4.16Å; Y96-F131 HydrophobicContact CG-CE1 4.44Å; Y96-F131 HydrophobicContact CG-CG 4.4Å; Y96-H132 WeakPolarHBondContact CE1-O 3.48Å; Y96-H132 PolarHBondContact OH-O 2.91Å; Y96-L136 HydrophobicContact CE2-CD1 3.63Å; Y96-L136 WeakPolarHBondContact OH-CD1 3.45Å
97C92.3Very high87.2Confident3 Ų356.9 Ų56.92%0.0230%0.298CS..EExtended strand (participates in β ladder)trans-141.9132.9-179.3-178.20000110.8I35 A74 S77 V78 V110 N111I35-C97 PolarHBondContact N-O 2.8Å; I35-C97 PolarHBondContact O-N 3.08Å; A74-C97 PolarHBondContact O-SG 3.42Å; S77-C97 WeakPolarHBondContact CB-SG 3.41Å; V78-C97 HydrophobicContact CG2-CB 3.28Å; C97-V110 CarbonylContact C-O 3.59Å; C97-V110 VanDerWaalsContact CA-O 3.28Å; C97-V110 WeakPolarHBondContact CA-O 3.27Å; C97-N111 PolarHBondContact SG-OD1 2.92Å
98G89.8Confident86.8Confident2 Ų255 Ų552%0.02129%0.29CS..EExtended strand (participates in β ladder)trans177.6176.5174.300000112.7S33 V110S33-G98 VanDerWaalsContact O-CA 3.24Å; S33-G98 WeakPolarHBondContact O-CA 3.32Å; G98-V110 PolarHBondContact N-O 3.28Å; G98-V110 PolarHBondContact O-N 3.07Å
99T87.6Confident86.5Confident25 Ų2561.5 Ų61.515%0.15332%0.317CS..EExtended strand (participates in β ladder)trans-106116.6174-53.30000108.5E107 K108T99-E107 HydrophobicContact CG2-CB 3.76Å; T99-E107 HydrophobicContact CG2-CG 4.19Å; T99-K108 WeakPolarHBondContact CA-O 3.39Å
100I87.8Confident86.3Confident28 Ų2861.6 Ų61.614%0.14432%0.318CS..EExtended strand (participates in β ladder)trans-102.1152.1177.169.1168.5000109.5A27 M34 K108 V110A27-I100 HydrophobicContact CB-CG2 3.83Å; M34-I100 HydrophobicContact CE-CG2 3.48Å; M34-I100 VanDerWaalsContact CE-CG2 3.48Å; M34-I100 HydrophobicContact SD-CG2 4.05Å; I100-K108 HydrophobicContact CG1-CB 4.16Å; I100-K108 PolarHBondContact N-O 3.16Å; I100-K108 PolarHBondContact O-N 3.11Å; I100-V110 HydrophobicContact CB-CG2 4.47Å; I100-V110 HydrophobicContact CD1-CG2 3.54Å; I100-V110 HydrophobicContact CG1-CG2 3.64Å; I100-V110 HydrophobicContact CG2-CG2 4.04Å
101V83.6Confident86.4Confident51 Ų5159.8 Ų59.831%0.30930%0.302SS..EExtended strand (participates in β ladder)trans-94.3123.6170.7-174.60000107.9N30N30-V101 HydrophobicContact CB-CG2 4.37Å
102T80.4Confident86.6Confident45 Ų4560 Ų6028%0.27630%0.303SS..PPolyproline II helixtrans-77.6164.9174.455.60000110.8E104 G105 K106 K108T102-E104 PolarHBondContact O-N 3.34Å; T102-E104 VanDerWaalsContact O-N 3.15Å; T102-G105 WeakPolarHBondContact O-CA 3.34Å; T102-G105 PolarHBondContact O-N 2.95Å; T102-K106 PolarHBondContact N-O 2.86Å; T102-K106 PolarHBondContact OG1-N 2.72Å; T102-K106 PolarHBondContact OG1-O 3.49Å; T102-K108 HydrophobicContact CG2-CB 3.81Å; T102-K108 HydrophobicContact CG2-CD 4.17Å
103E76.6Confident86.6Confident211 Ų21161.9 Ų61.999%0.98631%0.313SS*.THydrogen-bonded Turntrans-58.2-27.2178.3-71.3-173.8155.300113.1G105E103-G105 PolarHBondContact O-N 3.39Å
104E76.9Confident86.5Confident145 Ų14563.3 Ų63.368%0.67832%0.319SS*.THydrogen-bonded Turntrans-74.62.1173.3-59.7-166.8160.100114T102 K106T102-E104 PolarHBondContact O-N 3.34Å; T102-E104 VanDerWaalsContact O-N 3.15Å; E104-K106 PolarHBondContact O-N 3.17Å; E104-K106 IonicContact OE2-NZ 2.78Å; E104-K106 PolarHBondContact OE2-NZ 2.93Å
105G76.6Confident86.3Confident55 Ų5567.2 Ų67.257%0.56734%0.338SS*.SBendtrans735.2-176.200000114.5T102 E103T102-G105 WeakPolarHBondContact O-CA 3.34Å; T102-G105 PolarHBondContact O-N 2.95Å; E103-G105 PolarHBondContact O-N 3.39Å
106K82.9Confident85.9Confident132 Ų13267.3 Ų67.357%0.57434%0.338SS*.  trans-82.1139175-67.5175.8-172.6148.10111T102 E104T102-K106 PolarHBondContact N-O 2.86Å; T102-K106 PolarHBondContact OG1-N 2.72Å; T102-K106 PolarHBondContact OG1-O 3.49Å; E104-K106 PolarHBondContact O-N 3.17Å; E104-K106 IonicContact OE2-NZ 2.78Å; E104-K106 PolarHBondContact OE2-NZ 2.93Å
107E81.5Confident85.2Confident156 Ų15669.7 Ų69.773%0.72935%0.348SS*.EExtended strand (participates in β ladder)trans-75.8120.7173-69.1-175.3-178.500110.7T99T99-E107 HydrophobicContact CG2-CB 3.76Å; T99-E107 HydrophobicContact CG2-CG 4.19Å
108K83.9Confident84.5Confident128 Ų12871.2 Ų71.256%0.55736%0.355SS*.EExtended strand (participates in β ladder)trans-114.5127.2174.8-173.9175.8-178.7177.40109.5T99 I100 T102T99-K108 WeakPolarHBondContact CA-O 3.39Å; I100-K108 HydrophobicContact CG1-CB 4.16Å; I100-K108 PolarHBondContact N-O 3.16Å; I100-K108 PolarHBondContact O-N 3.11Å; T102-K108 HydrophobicContact CG2-CB 3.81Å; T102-K108 HydrophobicContact CG2-CD 4.17Å
109K85Confident84.1Confident147 Ų14774.6 Ų74.664%0.63938%0.377SS*.EExtended strand (participates in β ladder)trans-79.7122.2171.8-66.5-178.5-179.6178.20109.2
110V87.6Confident83.9Confident22 Ų2273.6 Ų73.613%0.13337%0.37CS..EExtended strand (participates in β ladder)trans-105.1122.4176.6176.10000107.9C97 G98 I100 I112 F131C97-V110 CarbonylContact C-O 3.59Å; C97-V110 VanDerWaalsContact CA-O 3.28Å; C97-V110 WeakPolarHBondContact CA-O 3.27Å; G98-V110 PolarHBondContact N-O 3.28Å; G98-V110 PolarHBondContact O-N 3.07Å; I100-V110 HydrophobicContact CB-CG2 4.47Å; I100-V110 HydrophobicContact CD1-CG2 3.54Å; I100-V110 HydrophobicContact CG1-CG2 3.64Å; I100-V110 HydrophobicContact CG2-CG2 4.04Å; V110-I112 HydrophobicContact CG1-CD1 3.69Å; V110-I112 HydrophobicContact CG1-CG1 3.76Å; V110-F131 HydrophobicContact CG1-CE2 4.44Å
111N89.3Confident83.5Confident63 Ų6379.2 Ų79.234%0.33740%0.4SS..EExtended strand (participates in β ladder)trans-131.8107.1176-67-20.8000107.3C97C97-N111 PolarHBondContact SG-OD1 2.92Å
112I91.3Very high83.5Confident46 Ų4680.2 Ų80.224%0.23641%0.407CS..EExtended strand (participates in β ladder)trans-126.7123.2-177.4-58-179.9000107.8L20 L24 V95 Y96 V110 F114L20-I112 HydrophobicContact CD1-CD1 3.63Å; L20-I112 HydrophobicContact CD1-CG2 4.2Å; L20-I112 HydrophobicContact CD2-CG2 4.15Å; L24-I112 HydrophobicContact CD2-CD1 4.19Å; V95-I112 CarbonylContact C-O 3.52Å; V95-I112 WeakPolarHBondContact CA-O 3.31Å; Y96-I112 PolarHBondContact N-O 2.81Å; Y96-I112 PolarHBondContact O-N 2.89Å; V110-I112 HydrophobicContact CG1-CD1 3.69Å; V110-I112 HydrophobicContact CG1-CG1 3.76Å; I112-F114 HydrophobicContact CG2-CD1 4.09Å
113D91.6Very high83.9Confident39 Ų3981.5 Ų81.521%0.20942%0.418CS..EExtended strand (participates in β ladder)trans-132.2131.3175.258.9-81.1000109.6R81 Y85 V94 V95R81-D113 WeakPolarHBondContact CD-OD1 3.28Å; Y85-D113 HydrophobicContact CE2-CB 4.36Å; Y85-D113 VanDerWaalsContact CE2-OD2 3.27Å; Y85-D113 WeakPolarHBondContact CE2-OD2 3.46Å; Y85-D113 PolarHBondContact OH-OD2 3.24Å; V94-D113 WeakPolarHBondContact O-CA 3.36Å; V95-D113 HydrophobicContact CG1-CB 4.5Å; V95-D113 HydrophobicContact CG2-CB 4.19Å
114F90.4Very high84.7Confident31 Ų3173.2 Ų73.214%0.13638%0.38CS..EExtended strand (participates in β ladder)trans-156.2157.9178.868.9-83.1000111.9I17 L20 V94 I112 L136I17-F114 HydrophobicContact CD1-CD2 3.78Å; I17-F114 HydrophobicContact CD1-CE2 3.39Å; I17-F114 HydrophobicContact CD1-CZ 3.94Å; L20-F114 HydrophobicContact CD2-CD1 3.93Å; L20-F114 HydrophobicContact CD2-CE1 3.52Å; L20-F114 HydrophobicContact CD2-CZ 4.01Å; V94-F114 HydrophobicContact CB-CE1 4.09Å; V94-F114 HydrophobicContact CB-CZ 4.09Å; V94-F114 HydrophobicContact CG1-CE1 4Å; V94-F114 HydrophobicContact CG1-CZ 4.14Å; V94-F114 PolarHBondContact N-O 2.87Å; V94-F114 VanDerWaalsContact N-O 3.11Å; V94-F114 PolarHBondContact O-N 2.83Å; V94-F114 VanDerWaalsContact O-N 3.12Å; I112-F114 HydrophobicContact CG2-CD1 4.09Å; F114-L136 HydrophobicContact CE1-CD1 4.49Å; F114-L136 HydrophobicContact CE2-CD2 4.4Å; F114-L136 HydrophobicContact CZ-CD1 3.83Å; F114-L136 HydrophobicContact CZ-CD2 4.04Å
115E89.2Confident85.4Confident82 Ų8268.6 Ų68.638%0.38336%0.357SS..  trans-87.3126.2168.7176.4172-162.400109.8P89 P90 N91P89-E115 HydrophobicContact CB-CB 4.17Å; P89-E115 HydrophobicContact CB-CG 3.81Å; P89-E115 VanDerWaalsContact CB-OE1 3.3Å; P89-E115 WeakPolarHBondContact CB-OE1 3.19Å; P89-E115 VanDerWaalsContact CB-OE2 3.31Å; P89-E115 WeakPolarHBondContact CB-OE2 3.38Å; P89-E115 HydrophobicContact CG-CB 4.36Å; P90-E115 WeakPolarHBondContact CD-OE1 3.42Å; P90-E115 VanDerWaalsContact CG-OE1 3.26Å; P90-E115 WeakPolarHBondContact CG-OE1 3.5Å; N91-E115 HydrophobicContact CB-CG 3.92Å; N91-E115 WeakPolarHBondContact CB-OE1 2.75Å; N91-E115 PolarHBondContact N-OE1 3.15Å
116P85Confident86.2Confident2 Ų269.4 Ų69.41%0.01335%0.348CS..  trans-69152.7176.930.7-36.2000111.6N91 G92 V94 K118 I120 L139N91-P116 HydrophobicContact CB-CG 4.16Å; N91-P116 WeakPolarHBondContact CB-O 3.37Å; N91-P116 PolarHBondContact ND2-O 3.01Å; N91-P116 WeakPolarHBondContact O-CG 3.48Å; G92-P116 WeakPolarHBondContact O-CD 3.3Å; V94-P116 HydrophobicContact CG2-CG 4.49Å; P116-K118 PolarHBondContact O-N 3.09Å; P116-I120 HydrophobicContact CB-CD1 3.8Å; P116-I120 HydrophobicContact CB-CG1 4.14Å; P116-I120 HydrophobicContact CG-CD1 3.56Å; P116-I120 HydrophobicContact CG-CG1 3.73Å; P116-L139 HydrophobicContact CB-CD1 4.4Å
117F79.5Confident86.5Confident50 Ų5065.3 Ų65.322%0.21934%0.335CS..SBendtrans-70.9-11179.467.6-83.3000114.3I14 I17 L139 L140I14-F117 HydrophobicContact CD1-CE2 4.24Å; I14-F117 HydrophobicContact CG1-CD2 4.29Å; I14-F117 HydrophobicContact CG1-CE1 4.33Å; I14-F117 HydrophobicContact CG1-CE2 3.88Å; I14-F117 HydrophobicContact CG1-CZ 3.91Å; I17-F117 HydrophobicContact CG1-CD1 4.31Å; F117-L139 HydrophobicContact CE1-CB 4.47Å; F117-L139 HydrophobicContact CZ-CB 4.35Å; F117-L139 WeakPolarHBondContact CZ-O 3.39Å; F117-L140 HydrophobicContact CE1-CD2 4.04Å; F117-L140 HydrophobicContact CZ-CD2 4.28Å
118K78.5Confident86.9Confident35 Ų3560.4 Ų60.415%0.15231%0.314CS..SBendtrans-133.8144.4176.6-80.4175.3-174.2164.60110.4P116 I120 L139 D142P116-K118 PolarHBondContact O-N 3.09Å; K118-I120 PolarHBondContact O-N 3.2Å; K118-L139 HydrophobicContact CB-CD2 4.19Å; K118-L139 PolarHBondContact NZ-O 3.26Å; K118-D142 WeakPolarHBondContact CE-OD1 3.48Å; K118-D142 IonicContact NZ-OD1 3.6Å; K118-D142 PolarHBondContact NZ-OD1 2.99Å
119P81.6Confident87.1Confident74 Ų7458 Ų5848%0.48131%0.307SS..  trans-54.2125.3172.4-27.435.1000113.4P41 N91P41-P119 HydrophobicContact CG-CB 4.24Å; N91-P119 VanDerWaalsContact O-CA 3.31Å; N91-P119 WeakPolarHBondContact O-CA 3.47Å; N91-P119 WeakPolarHBondContact OD1-CD 3.22Å; N91-P119 WeakPolarHBondContact OD1-CG 3.3Å
120I82.8Confident87.3Confident4 Ų455.4 Ų55.42%0.02130%0.296CS..  trans-100.3119.7177.1-54.3-177.4000110.5I38 P40 P41 N91 V94 P116 K118 T122 L136 L139I38-I120 HydrophobicContact CG2-CB 4.46Å; I38-I120 HydrophobicContact CG2-CD1 4.15Å; I38-I120 HydrophobicContact CG2-CG2 3.83Å; P40-I120 VanDerWaalsContact CA-O 3.25Å; P40-I120 WeakPolarHBondContact CA-O 3.4Å; P40-I120 VanDerWaalsContact CB-O 3.25Å; P40-I120 WeakPolarHBondContact CB-O 3.37Å; P41-I120 WeakPolarHBondContact CD-O 3.44Å; N91-I120 PolarHBondContact O-N 3.12Å; N91-I120 VanDerWaalsContact O-N 3.09Å; V94-I120 HydrophobicContact CG2-CD1 3.72Å; P116-I120 HydrophobicContact CB-CD1 3.8Å; P116-I120 HydrophobicContact CB-CG1 4.14Å; P116-I120 HydrophobicContact CG-CD1 3.56Å; P116-I120 HydrophobicContact CG-CG1 3.73Å; K118-I120 PolarHBondContact O-N 3.2Å; I120-T122 WeakPolarHBondContact CG2-OG1 3.42Å; I120-L136 HydrophobicContact CD1-CD2 4.21Å; I120-L139 HydrophobicContact CD1-CD1 3.29Å; I120-L139 HydrophobicContact CG1-CD1 3.33Å; I120-L139 HydrophobicContact CG1-CD2 4.06Å; I120-L139 HydrophobicContact CG1-CG 4.26Å
121N80Confident87.5Confident145 Ų14554.6 Ų54.678%0.77529%0.291SS*.  trans-87-6.1177.5-72.5-24.1000114.4
122T83.5Confident87.6Confident72 Ų7252.8 Ų52.844%0.44228%0.28SS..  trans-89.4127.3-179.154.90000111.4I38 I120I38-T122 VanDerWaalsContact CG2-O 3.28Å; I38-T122 WeakPolarHBondContact CG2-O 3.39Å; I120-T122 WeakPolarHBondContact CG2-OG1 3.42Å
123S89.1Confident87.5Confident73 Ų7350.9 Ų50.951%0.5127%0.271SS..  trans-93.1127.9164.8-173.70000108.9I38I38-S123 WeakPolarHBondContact O-CA 3.2Å
124L91.8Very high87.2Confident36 Ų3654 Ų5419%0.18828%0.284CS..EExtended strand (participates in β ladder)trans-137.6132.7-179.8-175.7148.5000109.7S36 L37 I38 L126 H132S36-L124 WeakPolarHBondContact O-CD2 3.14Å; L37-L124 CarbonylContact C-O 3.57Å; L37-L124 WeakPolarHBondContact CA-O 3.33Å; I38-L124 HydrophobicContact CB-CB 4.05Å; I38-L124 HydrophobicContact CD1-CB 4.23Å; I38-L124 HydrophobicContact CG1-CB 4.23Å; I38-L124 PolarHBondContact N-O 2.7Å; I38-L124 PolarHBondContact O-N 3.4Å; L124-L126 HydrophobicContact CD1-CD1 4.09Å; L124-L126 HydrophobicContact CD2-CB 4.18Å; L124-L126 HydrophobicContact CD2-CD1 4.1Å; L124-L126 HydrophobicContact CD2-CG 4.06Å; L124-L126 HydrophobicContact CG-CD1 4.12Å; L124-L126 HydrophobicContact CG-CG 4.22Å; L124-H132 HydrophobicContact CD2-CB 4.47Å
125Y93.5Very high86.8Confident48 Ų4853.4 Ų53.419%0.18829%0.285CS..EExtended strand (participates in β ladder)trans-138.1113.6166.5170.9-102.3000107.3I35 S36 L37 M51 L52 E55I35-Y125 HydrophobicContact CG2-CD2 4.18Å; I35-Y125 HydrophobicContact CG2-CE2 3.85Å; S36-Y125 WeakPolarHBondContact O-CA 3.14Å; L37-Y125 HydrophobicContact CD1-CD2 4.1Å; M51-Y125 HydrophobicContact CE-CD1 4.09Å; M51-Y125 HydrophobicContact CE-CD2 3.7Å; M51-Y125 HydrophobicContact CE-CE2 4.28Å; M51-Y125 HydrophobicContact CE-CG 3.57Å; M51-Y125 HydrophobicContact SD-CD1 4.46Å; M51-Y125 HydrophobicContact SD-CG 4.35Å; L52-Y125 HydrophobicContact CD2-CD2 4.28Å; L52-Y125 HydrophobicContact CD2-CE2 3.64Å; E55-Y125 WeakPolarHBondContact CB-OH 3.32Å; E55-Y125 HydrophobicContact CG-CE1 3.67Å; E55-Y125 WeakPolarHBondContact CG-OH 3.31Å; E55-Y125 PolarHBondContact OE2-OH 2.96Å
126L91.4Very high86.5Confident73 Ų7349.6 Ų49.638%0.38227%0.267SS..EExtended strand (participates in β ladder)trans-137.9138.9179-70.1174000109.8I35 S36 L124 H132I35-L126 WeakPolarHBondContact CA-O 3.49Å; S36-L126 PolarHBondContact N-O 3.23Å; S36-L126 PolarHBondContact O-N 2.92Å; L124-L126 HydrophobicContact CD1-CD1 4.09Å; L124-L126 HydrophobicContact CD2-CB 4.18Å; L124-L126 HydrophobicContact CD2-CD1 4.1Å; L124-L126 HydrophobicContact CD2-CG 4.06Å; L124-L126 HydrophobicContact CG-CD1 4.12Å; L124-L126 HydrophobicContact CG-CG 4.22Å; L126-H132 HydrophobicContact CD1-CB 4.35Å
127C90.3Very high86.3Confident46 Ų4652.4 Ų52.431%0.31128%0.284SS..EExtended strand (participates in β ladder)trans-117.5108171.6-170.50000108.1T32 M34T32-C127 PolarHBondContact O-SG 3.47Å; M34-C127 WeakPolarHBondContact O-CA 3.35Å
128D89.3Confident86.1Confident53 Ų5353.1 Ų53.128%0.28330%0.299SS..EExtended strand (participates in β ladder)trans-137.2-169.3-177.9-159.10.6000110.4S33 M34 H132S33-D128 PolarHBondContact N-O 3.48Å; M34-D128 WeakPolarHBondContact CB-O 3.48Å; M34-D128 PolarHBondContact N-O 3.46Å; M34-D128 PolarHBondContact O-N 3.01Å; D128-H132 IonicContact OD2-NE2 2.71Å
129N87.9Confident85.8Confident78 Ų7852.6 Ų52.642%0.41730%0.298SS..SBendtrans-87.1-4.717466.4-1.5000114.5G29 G31G29-N129 PolarHBondContact N-O 2.84Å; G31-N129 WeakPolarHBondContact O-CA 3.46Å; G31-N129 WeakPolarHBondContact O-CB 3.44Å
130K89.2Confident85.2Confident91 Ų9150 Ų5040%0.39628%0.28SS..BIsolated β-bridgetrans-137.3159.9178.562.2175-178.1166.60110.3
131F92.3Very high84.3Confident6 Ų653.1 Ų53.13%0.02630%0.302CS..  trans-79.7139.7169.7-68-54000111.2L24 A27 M34 Y96 V110L24-F131 HydrophobicContact CB-CB 4.3Å; L24-F131 HydrophobicContact CB-CD2 4.11Å; L24-F131 HydrophobicContact CD2-CD2 3.41Å; L24-F131 VanDerWaalsContact CD2-CD2 3.41Å; L24-F131 HydrophobicContact CD2-CE2 3.6Å; L24-F131 HydrophobicContact CD2-CG 4.11Å; L24-F131 HydrophobicContact CD2-CZ 4.47Å; L24-F131 HydrophobicContact CG-CD2 4.38Å; A27-F131 HydrophobicContact CB-CD2 4.29Å; A27-F131 HydrophobicContact CB-CE2 4.4Å; M34-F131 HydrophobicContact CB-CD1 4.03Å; M34-F131 HydrophobicContact CB-CE1 3.99Å; M34-F131 HydrophobicContact CE-CD1 4Å; M34-F131 HydrophobicContact CE-CD2 3.43Å; M34-F131 VanDerWaalsContact CE-CD2 3.43Å; M34-F131 HydrophobicContact CE-CE1 3.68Å; M34-F131 HydrophobicContact CE-CE2 3.08Å; M34-F131 HydrophobicContact CE-CG 3.9Å; M34-F131 HydrophobicContact CE-CZ 3.22Å; M34-F131 HydrophobicContact SD-CE1 4.31Å; M34-F131 HydrophobicContact SD-CE2 4.46Å; M34-F131 HydrophobicContact SD-CZ 4.08Å; Y96-F131 HydrophobicContact CD1-CB 3.9Å; Y96-F131 AromaticContact CD1-CD1 3.44Å; Y96-F131 HydrophobicContact CD1-CD1 3.44Å; Y96-F131 VanDerWaalsContact CD1-CD1 3.44Å; Y96-F131 HydrophobicContact CD1-CE1 4.07Å; Y96-F131 AromaticContact CD1-CG 3.77Å; Y96-F131 HydrophobicContact CD1-CG 3.77Å; Y96-F131 HydrophobicContact CE1-CB 3.97Å; Y96-F131 HydrophobicContact CE1-CD1 4.27Å; Y96-F131 HydrophobicContact CE1-CG 4.36Å; Y96-F131 HydrophobicContact CG-CD1 4.16Å; Y96-F131 HydrophobicContact CG-CE1 4.44Å; Y96-F131 HydrophobicContact CG-CG 4.4Å; V110-F131 HydrophobicContact CG1-CE2 4.44Å
132H90.7Very high83.2Confident25 Ų2546.9 Ų46.912%0.11627%0.269CS..  trans-93.8104.8175.6-77.9-76.7000109.6S36 Y96 L124 L126 D128 E134S36-H132 PolarHBondContact OG-N 2.96Å; Y96-H132 WeakPolarHBondContact CE1-O 3.48Å; Y96-H132 PolarHBondContact OH-O 2.91Å; L124-H132 HydrophobicContact CD2-CB 4.47Å; L126-H132 HydrophobicContact CD1-CB 4.35Å; D128-H132 IonicContact OD2-NE2 2.71Å; H132-E134 VanDerWaalsContact CA-OE2 3.32Å; H132-E134 WeakPolarHBondContact CA-OE2 3.46Å; H132-E134 VanDerWaalsContact CB-OE2 3.22Å; H132-E134 WeakPolarHBondContact CB-OE2 3.34Å; H132-E134 IonicContact CE1-OE1 3.83Å; H132-E134 IonicContact CG-OE2 2.89Å; H132-E134 IonicContact ND1-OE1 2.59Å; H132-E134 PolarHBondContact ND1-OE1 3.17Å; H132-E134 IonicContact ND1-OE2 3.8Å; H132-E134 PolarHBondContact ND1-OE2 3.29Å
133T89.3Confident82.2Confident6 Ų646.5 Ų46.54%0.03726%0.264CS..  trans-104.91.7-176.250.40000112.8I21 L24 E25 A135 L136 T137I21-T133 HydrophobicContact CG1-CG2 4.49Å; I21-T133 HydrophobicContact CG2-CG2 4.07Å; L24-T133 HydrophobicContact CB-CG2 3.91Å; L24-T133 HydrophobicContact CD1-CG2 4.33Å; E25-T133 HydrophobicContact CG-CG2 4.14Å; E25-T133 VanDerWaalsContact CG-OG1 3.25Å; E25-T133 WeakPolarHBondContact CG-OG1 3.22Å; E25-T133 PolarHBondContact OE1-OG1 3.4Å; T133-A135 VanDerWaalsContact C-N 3.25Å; T133-A135 PolarHBondContact O-N 3Å; T133-A135 VanDerWaalsContact O-N 3.16Å; T133-L136 WeakPolarHBondContact O-CA 3.43Å; T133-L136 WeakPolarHBondContact O-CB 3.49Å; T133-L136 PolarHBondContact O-N 3.35Å; T133-T137 PolarHBondContact O-N 3.33Å; T133-T137 PolarHBondContact O-OG1 2.9Å
134E86.2Confident81.6Confident103 Ų10344.5 Ų44.548%0.48125%0.25SC..Hα-helixtrans-58.3-38.7-170.9-57.585.917200112.1H132 T137 A138H132-E134 VanDerWaalsContact CA-OE2 3.32Å; H132-E134 WeakPolarHBondContact CA-OE2 3.46Å; H132-E134 VanDerWaalsContact CB-OE2 3.22Å; H132-E134 WeakPolarHBondContact CB-OE2 3.34Å; H132-E134 IonicContact CE1-OE1 3.83Å; H132-E134 IonicContact CG-OE2 2.89Å; H132-E134 IonicContact ND1-OE1 2.59Å; H132-E134 PolarHBondContact ND1-OE1 3.17Å; H132-E134 IonicContact ND1-OE2 3.8Å; H132-E134 PolarHBondContact ND1-OE2 3.29Å; E134-T137 PolarHBondContact O-N 3Å; E134-A138 PolarHBondContact O-N 2.82Å; E134-A138 VanDerWaalsContact O-N 3.09Å
135A82.3Confident81.2Confident19 Ų1945.8 Ų45.816%0.15725%0.254CS..Hα-helixtrans-66.8-34.7176.600000112.9I38 T133 L139I38-A135 HydrophobicContact CD1-CB 3.46Å; I38-A135 VanDerWaalsContact CD1-CB 3.46Å; T133-A135 VanDerWaalsContact C-N 3.25Å; T133-A135 PolarHBondContact O-N 3Å; T133-A135 VanDerWaalsContact O-N 3.16Å; A135-L139 WeakPolarHBondContact O-CG 3.49Å
136L82.6Confident81.1Confident2 Ų243.9 Ų43.91%0.0125%0.247CC..Hα-helixtrans-75.7-40.4176.4-72.5-179.4000111.8I21 V94 Y96 F114 I120 T133 A138 L139 L140I21-L136 HydrophobicContact CD1-CB 3.39Å; I21-L136 HydrophobicContact CD1-CD1 4.26Å; I21-L136 HydrophobicContact CD1-CG 4.48Å; I21-L136 HydrophobicContact CG1-CB 4Å; I21-L136 HydrophobicContact CG1-CD1 3.99Å; V94-L136 HydrophobicContact CG1-CD1 4.28Å; V94-L136 HydrophobicContact CG2-CD2 4.07Å; Y96-L136 HydrophobicContact CE2-CD1 3.63Å; Y96-L136 WeakPolarHBondContact OH-CD1 3.45Å; F114-L136 HydrophobicContact CE1-CD1 4.49Å; F114-L136 HydrophobicContact CE2-CD2 4.4Å; F114-L136 HydrophobicContact CZ-CD1 3.83Å; F114-L136 HydrophobicContact CZ-CD2 4.04Å; I120-L136 HydrophobicContact CD1-CD2 4.21Å; T133-L136 WeakPolarHBondContact O-CA 3.43Å; T133-L136 WeakPolarHBondContact O-CB 3.49Å; T133-L136 PolarHBondContact O-N 3.35Å; L136-A138 PolarHBondContact O-N 3.4Å; L136-L139 HydrophobicContact CD2-CD1 3.95Å; L136-L139 WeakPolarHBondContact O-CB 3.47Å; L136-L139 PolarHBondContact O-N 2.97Å; L136-L140 PolarHBondContact O-N 2.69Å; L136-L140 VanDerWaalsContact O-N 3.08Å
137T80.5Confident81.2Confident62 Ų6240.4 Ų40.438%0.3823%0.229SC..Hα-helixtrans-59.8-37.4176.1-53.30000110.8T133 E134 L139 L140 S141T133-T137 PolarHBondContact O-N 3.33Å; T133-T137 PolarHBondContact O-OG1 2.9Å; E134-T137 PolarHBondContact O-N 3Å; T137-L139 VanDerWaalsContact C-N 3.3Å; T137-L139 PolarHBondContact O-N 2.94Å; T137-L140 WeakPolarHBondContact O-CB 3.17Å; T137-L140 PolarHBondContact O-N 2.84Å; T137-S141 PolarHBondContact O-N 3.04Å; T137-S141 PolarHBondContact O-OG 3.18Å
138A74.5Confident81.4Confident64 Ų6438.2 Ų38.253%0.52921%0.214SC..Hα-helixtrans-63.8-29.7173.500000113.9E134 L136 S141E134-A138 PolarHBondContact O-N 2.82Å; E134-A138 VanDerWaalsContact O-N 3.09Å; L136-A138 PolarHBondContact O-N 3.4Å; A138-S141 WeakPolarHBondContact O-CB 3.2Å; A138-S141 PolarHBondContact O-OG 2.83Å
139L72.4Confident81.7Confident25 Ų2535.8 Ų35.813%0.13120%0.201CC..Hα-helixtrans-78.5-32.5177-61.2162.2000112.4P116 F117 K118 I120 A135 L136 T137 S141P116-L139 HydrophobicContact CB-CD1 4.4Å; F117-L139 HydrophobicContact CE1-CB 4.47Å; F117-L139 HydrophobicContact CZ-CB 4.35Å; F117-L139 WeakPolarHBondContact CZ-O 3.39Å; K118-L139 HydrophobicContact CB-CD2 4.19Å; K118-L139 PolarHBondContact NZ-O 3.26Å; I120-L139 HydrophobicContact CD1-CD1 3.29Å; I120-L139 HydrophobicContact CG1-CD1 3.33Å; I120-L139 HydrophobicContact CG1-CD2 4.06Å; I120-L139 HydrophobicContact CG1-CG 4.26Å; A135-L139 WeakPolarHBondContact O-CG 3.49Å; L136-L139 HydrophobicContact CD2-CD1 3.95Å; L136-L139 WeakPolarHBondContact O-CB 3.47Å; L136-L139 PolarHBondContact O-N 2.97Å; T137-L139 VanDerWaalsContact C-N 3.3Å; T137-L139 PolarHBondContact O-N 2.94Å; L139-S141 PolarHBondContact O-N 2.9Å
140L69.4Low82.1Confident20 Ų2032.1 Ų32.111%0.10518%0.181CC..Hα-helixtrans-71-13.5175.2-73.3179.9000113.9I14 I17 K18 I21 F117 L136 T137 D142I14-L140 HydrophobicContact CG2-CD2 3.82Å; I17-L140 HydrophobicContact CB-CD2 4.03Å; I17-L140 HydrophobicContact CG2-CD1 4.3Å; I17-L140 HydrophobicContact CG2-CD2 3.79Å; I17-L140 HydrophobicContact CG2-CG 4.13Å; K18-L140 HydrophobicContact CB-CD1 4.31Å; K18-L140 HydrophobicContact CG-CD1 3.5Å; K18-L140 HydrophobicContact CG-CD2 3.87Å; K18-L140 HydrophobicContact CG-CG 4.25Å; I21-L140 HydrophobicContact CD1-CD1 3.21Å; I21-L140 HydrophobicContact CD1-CG 4.07Å; I21-L140 HydrophobicContact CG1-CD1 4.4Å; F117-L140 HydrophobicContact CE1-CD2 4.04Å; F117-L140 HydrophobicContact CZ-CD2 4.28Å; L136-L140 PolarHBondContact O-N 2.69Å; L136-L140 VanDerWaalsContact O-N 3.08Å; T137-L140 WeakPolarHBondContact O-CB 3.17Å; T137-L140 PolarHBondContact O-N 2.84Å; L140-D142 PolarHBondContact O-N 3.32Å
141S63.1Low82.3Confident69 Ų6927.8 Ų27.848%0.48316%0.162SC..  trans-62.670158.8-49.80000108T137 A138 L139 D143T137-S141 PolarHBondContact O-N 3.04Å; T137-S141 PolarHBondContact O-OG 3.18Å; A138-S141 WeakPolarHBondContact O-CB 3.2Å; A138-S141 PolarHBondContact O-OG 2.83Å; L139-S141 PolarHBondContact O-N 2.9Å; S141-D143 VanDerWaalsContact C-N 3.3Å; S141-D143 PolarHBondContact O-N 3.23Å
142D57.6Low82.2Confident13 Ų1329 Ų297%0.0717%0.169CC..  trans-82.587.5-174.6-168.949.3000107.8R10 I14 K118 L140 K279R10-D142 IonicContact CZ-OD1 2.69Å; R10-D142 IonicContact NE-OD1 3.19Å; R10-D142 IonicContact NH2-OD1 3.02Å; R10-D142 PolarHBondContact NH2-OD1 3.49Å; I14-D142 HydrophobicContact CD1-CB 3.91Å; I14-D142 VanDerWaalsContact CD1-CG 3.44Å; I14-D142 WeakPolarHBondContact CD1-OD2 3.43Å; K118-D142 WeakPolarHBondContact CE-OD1 3.48Å; K118-D142 IonicContact NZ-OD1 3.6Å; K118-D142 PolarHBondContact NZ-OD1 2.99Å; L140-D142 PolarHBondContact O-N 3.32Å; D142-K279 PolarHBondContact O-NZ 3.26Å; D142-K279 IonicContact OD2-NZ 3.91Å
143D63.8Low82.1Confident65 Ų6529.1 Ų29.135%0.34818%0.177SC..PPolyproline II helixtrans-85.4117.3169.7-64.1-59.9000108.2S141 K145 Q162 G163S141-D143 VanDerWaalsContact C-N 3.3Å; S141-D143 PolarHBondContact O-N 3.23Å; D143-K145 PolarHBondContact O-N 3.07Å; D143-Q162 VanDerWaalsContact O-CG 3.3Å; D143-Q162 WeakPolarHBondContact O-CG 3.25Å; D143-G163 WeakPolarHBondContact OD2-CA 3.38Å
144S74.8Confident82.1Confident30 Ų3032.2 Ų32.221%0.2120%0.199CC..PPolyproline II helixtrans-51.2138.1165.7-60.80000108.7F146S144-F146 WeakPolarHBondContact O-CD2 3.39Å; S144-F146 WeakPolarHBondContact O-CE2 3.11Å; S144-F146 PolarHBondContact O-N 3.47Å
145K84.9Confident82.4Confident63 Ų6327.8 Ų27.827%0.27418%0.181SC..EExtended strand (participates in β ladder)trans-72.4118.2177.5-168.2176.5177.5169.70108.2D143 T160 Q162 V221 A222D143-K145 PolarHBondContact O-N 3.07Å; K145-T160 HydrophobicContact CD-CG2 4.5Å; K145-T160 VanDerWaalsContact CE-CB 3.46Å; K145-T160 WeakPolarHBondContact CE-OG1 3.45Å; K145-T160 HydrophobicContact CG-CG2 4.42Å; K145-Q162 HydrophobicContact CG-CB 4.49Å; K145-V221 HydrophobicContact CG-CG1 4.21Å; K145-V221 CarbonylContact O-C 3.55Å; K145-V221 VanDerWaalsContact O-CA 3.32Å; K145-V221 WeakPolarHBondContact O-CA 3.32Å; K145-V221 WeakPolarHBondContact O-CB 3.44Å; K145-A222 PolarHBondContact O-N 2.95Å
146F90.7Very high83Confident9 Ų927 Ų274%0.03918%0.175CC..EExtended strand (participates in β ladder)trans-106.6138.3177.6-65.6-71.9000110.7S144 F148 T160 L161 A222 G223 L251 L275 V278S144-F146 WeakPolarHBondContact O-CD2 3.39Å; S144-F146 WeakPolarHBondContact O-CE2 3.11Å; S144-F146 PolarHBondContact O-N 3.47Å; F146-F148 HydrophobicContact CB-CE2 4.14Å; F146-T160 CarbonylContact O-C 3.53Å; F146-T160 WeakPolarHBondContact O-CA 3.43Å; F146-L161 PolarHBondContact N-O 3.18Å; F146-L161 PolarHBondContact O-N 2.96Å; F146-A222 HydrophobicContact CE1-CB 4.29Å; F146-G223 WeakPolarHBondContact CA-O 3.19Å; F146-L251 HydrophobicContact CD1-CD1 3.97Å; F146-L251 HydrophobicContact CE1-CD1 3.8Å; F146-L275 HydrophobicContact CB-CD2 4.18Å; F146-L275 HydrophobicContact CD1-CD2 3.51Å; F146-L275 HydrophobicContact CD2-CB 4.35Å; F146-L275 HydrophobicContact CD2-CD1 4.13Å; F146-L275 HydrophobicContact CD2-CD2 3.79Å; F146-L275 HydrophobicContact CD2-CG 4.3Å; F146-L275 HydrophobicContact CE1-CD2 3.72Å; F146-L275 HydrophobicContact CE2-CB 4.01Å; F146-L275 HydrophobicContact CE2-CD2 3.97Å; F146-L275 HydrophobicContact CE2-CG 4.4Å; F146-L275 HydrophobicContact CG-CD1 4.38Å; F146-L275 HydrophobicContact CG-CD2 3.55Å; F146-L275 HydrophobicContact CG-CG 4.47Å; F146-L275 HydrophobicContact CZ-CB 4.3Å; F146-L275 HydrophobicContact CZ-CD2 3.92Å; F146-V278 HydrophobicContact CE1-CB 4.41Å; F146-V278 HydrophobicContact CE1-CG1 4.44Å; F146-V278 HydrophobicContact CE1-CG2 3.85Å; F146-V278 HydrophobicContact CZ-CB 4.19Å; F146-V278 HydrophobicContact CZ-CG2 3.88Å
147G93.6Very high83.6Confident0 Ų027 Ų270%018%0.175CC..EExtended strand (participates in β ladder)trans-90.4141.617500000111.2G223 M224 V225G147-G223 PolarHBondContact N-O 3.34Å; G147-M224 CarbonylContact O-C 3.53Å; G147-M224 VanDerWaalsContact O-CA 3.25Å; G147-M224 WeakPolarHBondContact O-CA 3.43Å; G147-V225 PolarHBondContact O-N 2.81Å
148F95.2Very high84.4Confident0 Ų024.1 Ų24.10%016%0.157CC..EExtended strand (participates in β ladder)trans-125.4129.1173.5-76-103000109.4F146 F158 G159 L161 V225 F264 A267 I268 L275F146-F148 HydrophobicContact CB-CE2 4.14Å; F148-F158 WeakPolarHBondContact O-CA 3.5Å; F148-G159 PolarHBondContact N-O 3.37Å; F148-G159 PolarHBondContact O-N 3.47Å; F148-L161 HydrophobicContact CD2-CB 4.08Å; F148-L161 HydrophobicContact CE2-CB 3.5Å; F148-L161 HydrophobicContact CE2-CD2 4.05Å; F148-L161 HydrophobicContact CE2-CG 4.44Å; F148-L161 HydrophobicContact CZ-CB 4.42Å; F148-L161 HydrophobicContact CZ-CD2 4.22Å; F148-V225 WeakPolarHBondContact CA-O 3.23Å; F148-V225 HydrophobicContact CD1-CB 3.81Å; F148-V225 HydrophobicContact CD1-CG1 4.11Å; F148-V225 HydrophobicContact CD1-CG2 4.49Å; F148-V225 HydrophobicContact CE1-CB 3.82Å; F148-V225 HydrophobicContact CE1-CG1 4.02Å; F148-V225 HydrophobicContact CE1-CG2 4.06Å; F148-V225 HydrophobicContact CG-CB 4.4Å; F148-V225 HydrophobicContact CZ-CB 4.41Å; F148-V225 HydrophobicContact CZ-CG2 4.22Å; F148-F264 HydrophobicContact CB-CD2 3.84Å; F148-F264 HydrophobicContact CB-CE2 3.45Å; F148-F264 VanDerWaalsContact CB-CE2 3.45Å; F148-F264 HydrophobicContact CD1-CD2 4.2Å; F148-F264 HydrophobicContact CD1-CE2 4.04Å; F148-F264 AromaticContact CD2-CE2 3.81Å; F148-F264 HydrophobicContact CD2-CE2 3.81Å; F148-F264 HydrophobicContact CG-CD2 4.04Å; F148-F264 AromaticContact CG-CE2 3.51Å; F148-F264 HydrophobicContact CG-CE2 3.51Å; F148-A267 HydrophobicContact CD1-CB 4.1Å; F148-A267 HydrophobicContact CE1-CB 4.16Å; F148-I268 HydrophobicContact CE1-CG1 3.95Å; F148-I268 HydrophobicContact CE2-CG1 4.27Å; F148-I268 HydrophobicContact CZ-CB 4.47Å; F148-I268 HydrophobicContact CZ-CG1 3.79Å; F148-L275 HydrophobicContact CE2-CD1 4.3Å; F148-L275 HydrophobicContact CZ-CD1 3.87Å
149I95.4Very high85.3Confident1 Ų121 Ų211%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-115.7110.7169.4-57.4179.7000106.6F158 V205 A209 F213 M224 V225 L226 A227 L236 F242I149-F158 HydrophobicContact CD1-CD1 4.36Å; I149-F158 HydrophobicContact CD1-CE1 4.17Å; I149-F158 HydrophobicContact CG1-CD1 3.94Å; I149-F158 HydrophobicContact CG1-CE1 4.11Å; I149-F158 HydrophobicContact CG2-CD1 4.34Å; I149-F158 HydrophobicContact CG2-CE1 3.96Å; I149-V205 HydrophobicContact CG2-CG1 3.95Å; I149-A209 HydrophobicContact CD1-CB 3.64Å; I149-F213 HydrophobicContact CD1-CD2 4.42Å; I149-F213 HydrophobicContact CD1-CE2 4.08Å; I149-F213 HydrophobicContact CG1-CE2 3.74Å; I149-M224 HydrophobicContact CD1-SD 3.64Å; I149-M224 HydrophobicContact CG1-SD 4.21Å; I149-V225 PolarHBondContact N-O 2.76Å; I149-L226 HydrophobicContact CB-CD2 3.74Å; I149-L226 HydrophobicContact CD1-CD2 3.75Å; I149-L226 HydrophobicContact CG1-CD2 4.05Å; I149-L226 HydrophobicContact CG2-CD2 4.45Å; I149-A227 PolarHBondContact O-N 3.48Å; I149-A227 VanDerWaalsContact O-O 3.13Å; I149-L236 HydrophobicContact CG2-CD2 4.25Å; I149-F242 HydrophobicContact CD1-CE2 4.26Å; I149-F242 HydrophobicContact CD1-CZ 4.22Å
150V95.4Very high86.3Confident1 Ų120 Ų201%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-98.8106.2175.1-178.90000107.6A156 L157 A227 I256 F264V150-A156 CarbonylContact O-C 3.55Å; V150-A156 VanDerWaalsContact O-CA 3.28Å; V150-A156 WeakPolarHBondContact O-CA 3.28Å; V150-L157 HydrophobicContact CB-CB 4.23Å; V150-L157 HydrophobicContact CG2-CD2 4.37Å; V150-L157 PolarHBondContact N-O 2.94Å; V150-L157 PolarHBondContact O-N 3.3Å; V150-A227 CarbonylContact C-O 3.57Å; V150-A227 VanDerWaalsContact CA-O 3.28Å; V150-A227 WeakPolarHBondContact CA-O 3.24Å; V150-A227 HydrophobicContact CG2-CB 4.36Å; V150-I256 HydrophobicContact CG1-CD1 3.56Å; V150-F264 HydrophobicContact CG2-CB 4.01Å; V150-F264 HydrophobicContact CG2-CD2 4.25Å
151I93.3Very high87.2Confident1 Ų119.9 Ų19.91%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-102123.9177.9-167167.9000110.4Y201 V205 A227 G228 F232 K233I151-Y201 HydrophobicContact CD1-CE1 3.93Å; I151-Y201 HydrophobicContact CG1-CE1 3.76Å; I151-V205 HydrophobicContact CD1-CG1 4.35Å; I151-V205 HydrophobicContact CD1-CG2 4.28Å; I151-A227 PolarHBondContact N-O 3.11Å; I151-G228 WeakPolarHBondContact O-CA 3.47Å; I151-F232 HydrophobicContact CD1-CB 4.1Å; I151-F232 HydrophobicContact CG1-CB 4.27Å; I151-F232 HydrophobicContact CG2-CB 4.1Å; I151-K233 HydrophobicContact CG2-CB 3.93Å
152D91.6Very high88Confident30 Ų3020 Ų2016%0.1612%0.118CC..EExtended strand (participates in β ladder)trans-130.8163.4173.3-176.441.9000110.6S154 G155 Y201 S229D152-S154 PolarHBondContact O-N 3.34Å; D152-S154 PolarHBondContact OD2-N 3.17Å; D152-S154 PolarHBondContact OD2-OG 2.97Å; D152-G155 CarbonylContact C-O 3.43Å; D152-G155 WeakPolarHBondContact CA-O 3.33Å; D152-G155 PolarHBondContact N-O 3.3Å; D152-G155 PolarHBondContact O-N 3.19Å; D152-G155 VanDerWaalsContact O-O 3.07Å; D152-Y201 WeakPolarHBondContact O-CE1 3.41Å; D152-Y201 PolarHBondContact O-OH 2.69Å; D152-S229 PolarHBondContact OD1-OG 3.12Å
153G88.1Confident88.8Confident28 Ų2820.2 Ų20.229%0.28912%0.123SC..THydrogen-bonded Turntrans-65.6-17.3177.300000114.1
154S89.1Confident88.8Confident72 Ų7225.1 Ų25.150%0.50315%0.15SC..THydrogen-bonded Turntrans-100-10.9179.768.10000114.3D152 T173 V174D152-S154 PolarHBondContact O-N 3.34Å; D152-S154 PolarHBondContact OD2-N 3.17Å; D152-S154 PolarHBondContact OD2-OG 2.97Å; S154-T173 WeakPolarHBondContact O-CA 3.34Å; S154-V174 CarbonylContact C-O 3.59Å; S154-V174 PolarHBondContact O-N 2.96Å; S154-V174 VanDerWaalsContact O-O 3.1Å
155G92.3Very high88.7Confident9 Ų928.1 Ų28.19%0.09317%0.167CC..EExtended strand (participates in β ladder)trans163.6170.2-174.600000113.6D152 F172 Y201D152-G155 CarbonylContact C-O 3.43Å; D152-G155 WeakPolarHBondContact CA-O 3.33Å; D152-G155 PolarHBondContact N-O 3.3Å; D152-G155 PolarHBondContact O-N 3.19Å; D152-G155 VanDerWaalsContact O-O 3.07Å; G155-F172 CarbonylContact C-O 3.59Å; G155-F172 WeakPolarHBondContact CA-O 3.48Å; G155-Y201 PolarHBondContact O-OH 2.98Å
156A94.8Very high88.6Confident3 Ų332.6 Ų32.63%0.02518%0.182CC..EExtended strand (participates in β ladder)trans-123.7144.5176.800000110.7V150 F158 K171 F172 Y201 V205V150-A156 CarbonylContact O-C 3.55Å; V150-A156 VanDerWaalsContact O-CA 3.28Å; V150-A156 WeakPolarHBondContact O-CA 3.28Å; A156-F158 HydrophobicContact CB-CE2 4.03Å; A156-F158 HydrophobicContact CB-CZ 4.41Å; A156-K171 WeakPolarHBondContact O-CA 3.24Å; A156-F172 HydrophobicContact CB-CE1 4.32Å; A156-F172 HydrophobicContact CB-CE2 4.26Å; A156-F172 HydrophobicContact CB-CZ 3.99Å; A156-F172 PolarHBondContact N-O 3.04Å; A156-F172 PolarHBondContact O-N 3.41Å; A156-Y201 HydrophobicContact CB-CE2 4.28Å; A156-Y201 PolarHBondContact N-OH 3.01Å; A156-V205 HydrophobicContact CB-CG2 3.74Å
157L95.9Very high88.4Confident3 Ų337.4 Ų37.42%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-126134.6174.2179.4155.1000109.6V150 V168 K171 E261 F264V150-L157 HydrophobicContact CB-CB 4.23Å; V150-L157 HydrophobicContact CG2-CD2 4.37Å; V150-L157 PolarHBondContact N-O 2.94Å; V150-L157 PolarHBondContact O-N 3.3Å; L157-V168 HydrophobicContact CD1-CG1 3.94Å; L157-V168 HydrophobicContact CD1-CG2 4.36Å; L157-V168 HydrophobicContact CD2-CG1 4.3Å; L157-V168 HydrophobicContact CG-CG1 3.93Å; L157-K171 HydrophobicContact CB-CB 4.4Å; L157-K171 HydrophobicContact CG-CB 4.41Å; L157-E261 HydrophobicContact CD1-CB 4.38Å; L157-E261 HydrophobicContact CD1-CG 3.56Å; L157-F264 HydrophobicContact CD2-CB 4.11Å; L157-F264 HydrophobicContact CD2-CD1 4.18Å; L157-F264 HydrophobicContact CD2-CD2 4.4Å; L157-F264 HydrophobicContact CD2-CG 3.99Å
158F96.3Very high88.4Confident0 Ų040.1 Ų40.10%022%0.221CC..EExtended strand (participates in β ladder)trans-114.4121.3176-57.9-95.1000107.8F148 I149 A156 L169 H170 F172 V205 T208 A209 L212 F213F148-F158 WeakPolarHBondContact O-CA 3.5Å; I149-F158 HydrophobicContact CD1-CD1 4.36Å; I149-F158 HydrophobicContact CD1-CE1 4.17Å; I149-F158 HydrophobicContact CG1-CD1 3.94Å; I149-F158 HydrophobicContact CG1-CE1 4.11Å; I149-F158 HydrophobicContact CG2-CD1 4.34Å; I149-F158 HydrophobicContact CG2-CE1 3.96Å; A156-F158 HydrophobicContact CB-CE2 4.03Å; A156-F158 HydrophobicContact CB-CZ 4.41Å; F158-L169 PolarHBondContact O-N 2.89Å; F158-H170 HydrophobicContact CB-CB 4.47Å; F158-H170 HydrophobicContact CD2-CB 4.37Å; F158-H170 PolarHBondContact N-O 3.27Å; F158-H170 PolarHBondContact O-N 3.43Å; F158-F172 HydrophobicContact CE2-CD1 4.23Å; F158-F172 AromaticContact CE2-CE1 3.62Å; F158-F172 HydrophobicContact CE2-CE1 3.62Å; F158-F172 HydrophobicContact CE2-CZ 4.41Å; F158-F172 HydrophobicContact CZ-CE1 4.25Å; F158-V205 HydrophobicContact CE1-CG1 4.19Å; F158-V205 HydrophobicContact CZ-CB 4.36Å; F158-V205 HydrophobicContact CZ-CG1 3.83Å; F158-V205 WeakPolarHBondContact CZ-O 3.46Å; F158-T208 HydrophobicContact CD2-CG2 4.11Å; F158-T208 HydrophobicContact CE1-CG2 4.44Å; F158-T208 HydrophobicContact CE2-CG2 3.73Å; F158-T208 HydrophobicContact CZ-CG2 3.9Å; F158-A209 HydrophobicContact CE1-CB 3.92Å; F158-L212 HydrophobicContact CB-CD1 3.55Å; F158-L212 HydrophobicContact CD1-CD1 4.12Å; F158-L212 HydrophobicContact CD2-CD1 4.14Å; F158-L212 HydrophobicContact CG-CD1 3.67Å; F158-F213 HydrophobicContact CB-CE2 4.5Å; F158-F213 HydrophobicContact CB-CZ 4.46Å; F158-F213 AromaticContact CD1-CE2 3.93Å; F158-F213 HydrophobicContact CD1-CE2 3.93Å
159G94.5Very high88.3Confident0 Ų042.8 Ų42.80%024%0.235CC..EExtended strand (participates in β ladder)trans-138164-178.600000111.5F148 E167F148-G159 PolarHBondContact N-O 3.37Å; F148-G159 PolarHBondContact O-N 3.47Å; G159-E167 CarbonylContact C-O 3.57Å; G159-E167 WeakPolarHBondContact CA-O 3.34Å
160T93.1Very high88.2Confident3 Ų346.6 Ų46.62%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-124.6142.2170.6530000110K145 F146 E167 L169 F213 V221K145-T160 HydrophobicContact CD-CG2 4.5Å; K145-T160 VanDerWaalsContact CE-CB 3.46Å; K145-T160 WeakPolarHBondContact CE-OG1 3.45Å; K145-T160 HydrophobicContact CG-CG2 4.42Å; F146-T160 CarbonylContact O-C 3.53Å; F146-T160 WeakPolarHBondContact O-CA 3.43Å; T160-E167 PolarHBondContact N-O 3.36Å; T160-E167 PolarHBondContact O-N 2.91Å; T160-L169 HydrophobicContact CG2-CD1 3.69Å; T160-L169 HydrophobicContact CG2-CG 4.27Å; T160-F213 HydrophobicContact CG2-CD1 4.44Å; T160-F213 HydrophobicContact CG2-CE1 3.66Å; T160-V221 HydrophobicContact CG2-CG1 4.28Å
161L87.3Confident88.2Confident18 Ų1852.5 Ų52.59%0.09428%0.278CS..EExtended strand (participates in β ladder)trans-111.1121.6169-17371.8000107.7F146 F148 G163 R166 I268 L275F146-L161 PolarHBondContact N-O 3.18Å; F146-L161 PolarHBondContact O-N 2.96Å; F148-L161 HydrophobicContact CD2-CB 4.08Å; F148-L161 HydrophobicContact CE2-CB 3.5Å; F148-L161 HydrophobicContact CE2-CD2 4.05Å; F148-L161 HydrophobicContact CE2-CG 4.44Å; F148-L161 HydrophobicContact CZ-CB 4.42Å; F148-L161 HydrophobicContact CZ-CD2 4.22Å; L161-G163 VanDerWaalsContact CD1-O 3.25Å; L161-G163 WeakPolarHBondContact CD1-O 3.4Å; L161-G163 WeakPolarHBondContact CG-O 3.45Å; L161-R166 HydrophobicContact CD1-CB 4.21Å; L161-I268 HydrophobicContact CD1-CD1 3.99Å; L161-I268 HydrophobicContact CD1-CG1 4.32Å; L161-I268 HydrophobicContact CD1-CG2 4.23Å; L161-I268 HydrophobicContact CD2-CG1 4.25Å; L161-I268 HydrophobicContact CD2-CG2 3.77Å; L161-L275 HydrophobicContact CD2-CD1 3.91Å
162Q81.4Confident88.2Confident71 Ų7153.7 Ų53.733%0.33228%0.284SS..EExtended strand (participates in β ladder)trans-121.387.4167.1-167174.85.400106.9D143 K145 N164 T165D143-Q162 VanDerWaalsContact O-CG 3.3Å; D143-Q162 WeakPolarHBondContact O-CG 3.25Å; K145-Q162 HydrophobicContact CG-CB 4.49Å; Q162-N164 PolarHBondContact O-N 3.29Å; Q162-T165 PolarHBondContact N-O 3.18Å; Q162-T165 PolarHBondContact O-N 3.4Å; Q162-T165 PolarHBondContact O-OG1 2.92Å
163G72.9Confident88.4Confident17 Ų1758.1 Ų58.118%0.17531%0.312CS..THydrogen-bonded Turntrans72.3-122.4179.600000112.8D143 L161 T165D143-G163 WeakPolarHBondContact OD2-CA 3.38Å; L161-G163 VanDerWaalsContact CD1-O 3.25Å; L161-G163 WeakPolarHBondContact CD1-O 3.4Å; L161-G163 WeakPolarHBondContact CG-O 3.45Å; G163-T165 VanDerWaalsContact C-N 3.27Å
164N65.1Low88.5Confident168 Ų16858.4 Ų58.490%0.89831%0.308SS*.THydrogen-bonded Turntrans-84-5.9173-155.321.9000112.8Q162Q162-N164 PolarHBondContact O-N 3.29Å
165T71.5Confident88.6Confident94 Ų9462.4 Ų62.458%0.57732%0.324SS*.EExtended strand (participates in β ladder)trans-91.8116.3177.864.50000110.3Q162 G163Q162-T165 PolarHBondContact N-O 3.18Å; Q162-T165 PolarHBondContact O-N 3.4Å; Q162-T165 PolarHBondContact O-OG1 2.92Å; G163-T165 VanDerWaalsContact C-N 3.27Å
166R82.3Confident88.4Confident156 Ų15663.2 Ų63.259%0.58933%0.326SS*.EExtended strand (participates in β ladder)trans-100.8136.7171.272.9-179.2-175.6-163-5.4109.5L161 F264 N265 I268L161-R166 HydrophobicContact CD1-CB 4.21Å; R166-F264 HydrophobicContact CB-CE1 4.04Å; R166-F264 HydrophobicContact CB-CZ 4.32Å; R166-N265 PolarHBondContact NH1-ND2 3.17Å; R166-N265 VanDerWaalsContact NH1-ND2 3.18Å; R166-N265 PolarHBondContact NH1-OD1 3.36Å; R166-I268 HydrophobicContact CB-CD1 4.41Å
167E87.4Confident88.1Confident110 Ų11065.6 Ų65.651%0.51434%0.341SS..EExtended strand (participates in β ladder)trans-131.8128.7177.2-172.7178.7-16900109.1G159 T160 L169G159-E167 CarbonylContact C-O 3.57Å; G159-E167 WeakPolarHBondContact CA-O 3.34Å; T160-E167 PolarHBondContact N-O 3.36Å; T160-E167 PolarHBondContact O-N 2.91Å; E167-L169 HydrophobicContact CG-CD2 4.2Å
168V92.6Very high87.6Confident57 Ų5773 Ų7335%0.34537%0.373SS..EExtended strand (participates in β ladder)trans-94.7109.7173.5179.80000107.4L157 F264L157-V168 HydrophobicContact CD1-CG1 3.94Å; L157-V168 HydrophobicContact CD1-CG2 4.36Å; L157-V168 HydrophobicContact CD2-CG1 4.3Å; L157-V168 HydrophobicContact CG-CG1 3.93Å; V168-F264 HydrophobicContact CG2-CD1 4.24Å; V168-F264 HydrophobicContact CG2-CE1 4.17Å
169L93.2Very high87.1Confident56 Ų5681.6 Ų81.629%0.29341%0.411SS..EExtended strand (participates in β ladder)trans-77.2-47-177-61.9179.3000111.3F158 T160 E167 L212 F213F158-L169 PolarHBondContact O-N 2.89Å; T160-L169 HydrophobicContact CG2-CD1 3.69Å; T160-L169 HydrophobicContact CG2-CG 4.27Å; E167-L169 HydrophobicContact CG-CD2 4.2Å; L169-L212 HydrophobicContact CB-CD1 4.47Å; L169-L212 HydrophobicContact CB-CD2 4.41Å; L169-L212 HydrophobicContact CD1-CB 4.41Å; L169-F213 HydrophobicContact CD1-CE1 4.03Å
170H94.5Very high86.3Confident82 Ų8287.1 Ų87.138%0.3844%0.436SS..EExtended strand (participates in β ladder)trans-154.6148.4-177-167.564.6000111.3F158 F172 L212F158-H170 HydrophobicContact CB-CB 4.47Å; F158-H170 HydrophobicContact CD2-CB 4.37Å; F158-H170 PolarHBondContact N-O 3.27Å; F158-H170 PolarHBondContact O-N 3.43Å; H170-F172 AromaticContact CD2-CD1 3.79Å; H170-F172 AromaticContact NE2-CD1 3.73Å; H170-L212 HydrophobicContact CB-CD1 3.63Å; H170-L212 HydrophobicContact CB-CD2 4.45Å
171K94.8Very high85.4Confident124 Ų12491.2 Ų91.254%0.53948%0.478SS..EExtended strand (participates in β ladder)trans-144.6142.5171.163-177.9174.7-174.20110A156 L157 E261A156-K171 WeakPolarHBondContact O-CA 3.24Å; L157-K171 HydrophobicContact CB-CB 4.4Å; L157-K171 HydrophobicContact CG-CB 4.41Å; K171-E261 IonicContact NZ-OE1 3.82Å; K171-E261 PolarHBondContact NZ-OE1 3.47Å
172F94.6Very high84.7Confident27 Ų27101.7 Ų101.712%0.11852%0.517CS..EExtended strand (participates in β ladder)trans-144.2152.3170.864.7-101000110.9G155 A156 F158 H170 V174 Y201 K204 V205 T208G155-F172 CarbonylContact C-O 3.59Å; G155-F172 WeakPolarHBondContact CA-O 3.48Å; A156-F172 HydrophobicContact CB-CE1 4.32Å; A156-F172 HydrophobicContact CB-CE2 4.26Å; A156-F172 HydrophobicContact CB-CZ 3.99Å; A156-F172 PolarHBondContact N-O 3.04Å; A156-F172 PolarHBondContact O-N 3.41Å; F158-F172 HydrophobicContact CE2-CD1 4.23Å; F158-F172 AromaticContact CE2-CE1 3.62Å; F158-F172 HydrophobicContact CE2-CE1 3.62Å; F158-F172 HydrophobicContact CE2-CZ 4.41Å; F158-F172 HydrophobicContact CZ-CE1 4.25Å; H170-F172 AromaticContact CD2-CD1 3.79Å; H170-F172 AromaticContact NE2-CD1 3.73Å; F172-V174 HydrophobicContact CD2-CG1 3.94Å; F172-V174 HydrophobicContact CE2-CG1 3.82Å; F172-Y201 HydrophobicContact CE2-CD2 4.21Å; F172-Y201 AromaticContact CE2-CE2 3.78Å; F172-Y201 HydrophobicContact CE2-CE2 3.78Å; F172-Y201 HydrophobicContact CZ-CE2 4.32Å; F172-K204 HydrophobicContact CD2-CD 4.49Å; F172-K204 HydrophobicContact CE1-CG 4.5Å; F172-K204 HydrophobicContact CE2-CD 3.88Å; F172-K204 HydrophobicContact CE2-CG 4.31Å; F172-K204 HydrophobicContact CZ-CD 3.98Å; F172-K204 HydrophobicContact CZ-CG 3.92Å; F172-V205 HydrophobicContact CE2-CG2 4.48Å; F172-V205 HydrophobicContact CZ-CG2 3.83Å; F172-T208 HydrophobicContact CE1-CG2 4.29Å
173T93.7Very high84.1Confident123 Ų12399.8 Ų99.876%0.75552%0.516SS*.EExtended strand (participates in β ladder)trans-100.1153.2178.3540000110.9S154S154-T173 WeakPolarHBondContact O-CA 3.34Å
174V90.9Very high84.6Confident33 Ų33102.4 Ų102.420%0.254%0.543CS..  trans-137.1145.8173.8-65.50000110.2S154 F172 L176 Y201S154-V174 CarbonylContact C-O 3.59Å; S154-V174 PolarHBondContact O-N 2.96Å; S154-V174 VanDerWaalsContact O-O 3.1Å; F172-V174 HydrophobicContact CD2-CG1 3.94Å; F172-V174 HydrophobicContact CE2-CG1 3.82Å; V174-L176 HydrophobicContact CG2-CD1 4.41Å; V174-L176 HydrophobicContact CG2-CG 4.17Å; V174-Y201 HydrophobicContact CB-CD2 4.2Å; V174-Y201 HydrophobicContact CB-CE2 4.23Å; V174-Y201 HydrophobicContact CG1-CD2 3.59Å; V174-Y201 HydrophobicContact CG1-CE2 3.69Å; V174-Y201 HydrophobicContact CG2-CD1 4.38Å; V174-Y201 HydrophobicContact CG2-CD2 3.75Å; V174-Y201 HydrophobicContact CG2-CE1 4.14Å; V174-Y201 HydrophobicContact CG2-CE2 3.5Å; V174-Y201 VanDerWaalsContact CG2-CE2 3.5Å; V174-Y201 HydrophobicContact CG2-CG 4.17Å
175D90.7Very high85.3Confident156 Ų156103.5 Ų103.583%0.83454%0.543SS*.  trans-110.1104.4171.5-171.823000109.4
176L89Confident85.8Confident26 Ų26101.9 Ų101.914%0.13654%0.536CS..PPolyproline II helixtrans-95.8137-178.2-68.9175.6000111V174 K178 K197 R198 Y201 F232V174-L176 HydrophobicContact CG2-CD1 4.41Å; V174-L176 HydrophobicContact CG2-CG 4.17Å; L176-K178 PolarHBondContact O-N 3.34Å; L176-K197 HydrophobicContact CD2-CB 4.13Å; L176-R198 HydrophobicContact CD1-CG 4.44Å; L176-Y201 HydrophobicContact CD1-CD1 3.82Å; L176-Y201 HydrophobicContact CD1-CE1 4.25Å; L176-Y201 HydrophobicContact CD1-CG 4.43Å; L176-F232 HydrophobicContact CD1-CZ 4.04Å
177P88.9Confident85.9Confident53 Ų5396.5 Ų96.534%0.34452%0.524SS..PPolyproline II helixtrans-57.3125.6176.4-22.731.8000111.8R194 K197P177-R194 HydrophobicContact CB-CB 4.38Å; P177-R194 HydrophobicContact CB-CG 4.47Å; P177-R194 WeakPolarHBondContact O-CD 3.28Å; P177-R194 VanDerWaalsContact O-CG 3.31Å; P177-R194 WeakPolarHBondContact O-CG 3.27Å; P177-K197 HydrophobicContact CG-CB 4.28Å; P177-K197 HydrophobicContact CG-CG 4.11Å
178K85.7Confident85.8Confident158 Ų15898.3 Ų98.369%0.68754%0.537SS*.PPolyproline II helixtrans-68.4160.6-179.4-66.8-175.2-178.9179.60111.8L176 H180 R194L176-K178 PolarHBondContact O-N 3.34Å; K178-H180 PolarHBondContact O-CD2 2.66Å; K178-H180 PolarHBondContact O-N 2.86Å; K178-R194 PolarHBondContact O-NE 3.21Å; K178-R194 PolarHBondContact O-NH2 3.44Å
179K85.2Confident85.6Confident182 Ų182102.8 Ų102.879%0.79155%0.548SS*.PPolyproline II helixtrans-70.8117171.4-169.4176.2179.6179.80108
180H78.6Confident85.3Confident116 Ų116104.2 Ų104.254%0.53755%0.552SS.*  trans-110.2126175.8-63.1-68.1000108.9K178K178-H180 PolarHBondContact O-CD2 2.66Å; K178-H180 PolarHBondContact O-N 2.86Å
181G73.4Confident84.9Confident88 Ų88102 Ų10291%0.90755%0.548SS*.SBendtrans-88.8-8172.500000113.6
182R72Confident84.7Confident238 Ų238105.6 Ų105.690%0.89856%0.558SS**  trans-106.6118.2179.5-67.6-179.8167.1151.6-2.8108.6
183G68.8Low84.4Confident31 Ų31107.1 Ų107.132%0.3257%0.567SS.*  trans-174.8-9.4-176.200000117.4Q185 S186 A187G183-Q185 PolarHBondContact O-N 2.9Å; G183-S186 WeakPolarHBondContact O-CA 3.15Å; G183-S186 WeakPolarHBondContact O-CB 3.2Å; G183-S186 PolarHBondContact O-N 3.14Å; G183-A187 PolarHBondContact O-N 2.98Å
184G83.3Confident84.2Confident72 Ų72102.2 Ų102.274%0.74253%0.534SS*.G310 helixtrans49.6-130.4-179.300000112S186 A187G184-S186 PolarHBondContact O-N 3.41Å; G184-A187 VanDerWaalsContact O-CB 3.31Å; G184-A187 WeakPolarHBondContact O-CB 3.36Å; G184-A187 PolarHBondContact O-N 3.28Å
185Q81.1Confident84.2Confident192 Ų192105.5 Ų105.590%0.89755%0.549SS*.G310 helixtrans-62.3-26.6176.9-65.8-65.7-17.600113.8G183 A187G183-Q185 PolarHBondContact O-N 2.9Å; Q185-A187 VanDerWaalsContact C-N 3.33Å; Q185-A187 PolarHBondContact O-N 2.8Å
186S82.2Confident84.2Confident60 Ų60103.4 Ų103.442%0.4253%0.534SS..G310 helixtrans-84.4-4.5-179.2-62.60000113.7G183 G184 L188 R189 F190G183-S186 WeakPolarHBondContact O-CA 3.15Å; G183-S186 WeakPolarHBondContact O-CB 3.2Å; G183-S186 PolarHBondContact O-N 3.14Å; G184-S186 PolarHBondContact O-N 3.41Å; S186-L188 VanDerWaalsContact C-N 3.31Å; S186-L188 PolarHBondContact O-N 3.14Å; S186-R189 PolarHBondContact O-N 3.09Å; S186-F190 WeakPolarHBondContact O-CD2 3.19Å; S186-F190 PolarHBondContact O-N 3.31Å; S186-F190 VanDerWaalsContact O-N 3.12Å
187A83.4Confident84.3Confident43 Ų43107.6 Ų107.636%0.35555%0.551SS.*Hα-helixtrans-58.3-41.1-177.200000112.6G183 G184 Q185 R189 F190 A191G183-A187 PolarHBondContact O-N 2.98Å; G184-A187 VanDerWaalsContact O-CB 3.31Å; G184-A187 WeakPolarHBondContact O-CB 3.36Å; G184-A187 PolarHBondContact O-N 3.28Å; Q185-A187 VanDerWaalsContact C-N 3.33Å; Q185-A187 PolarHBondContact O-N 2.8Å; A187-R189 PolarHBondContact O-N 3.31Å; A187-F190 PolarHBondContact O-N 2.87Å; A187-A191 PolarHBondContact O-N 3.05Å
188L85.7Confident84.4Confident148 Ų148108.2 Ų108.278%0.77555%0.547SS*.Hα-helixtrans-63.4-42.5178.5-165.685000111.6S186 A191 R192S186-L188 VanDerWaalsContact C-N 3.31Å; S186-L188 PolarHBondContact O-N 3.14Å; L188-A191 WeakPolarHBondContact O-CB 3.32Å; L188-A191 PolarHBondContact O-N 2.83Å; L188-R192 PolarHBondContact O-N 2.87Å
189R88.1Confident84.7Confident151 Ų151104.8 Ų104.857%0.5753%0.533SS*.Hα-helixtrans-62.2-45.5177.6179.2-177.9167.3-86-0.1111.5S186 A187 A191 R192 L193S186-R189 PolarHBondContact O-N 3.09Å; A187-R189 PolarHBondContact O-N 3.31Å; R189-A191 VanDerWaalsContact C-N 3.29Å; R189-A191 PolarHBondContact O-N 3.13Å; R189-R192 PolarHBondContact O-N 3.39Å; R189-L193 HydrophobicContact CG-CD1 4.19Å; R189-L193 PolarHBondContact O-N 2.97Å
190F86.8Confident85Confident86 Ų8699.1 Ų99.138%0.37751%0.511SS..Hα-helixtrans-66.1-32.7177.1-68.9-60.3000112.6S186 A187 R194S186-F190 WeakPolarHBondContact O-CD2 3.19Å; S186-F190 PolarHBondContact O-N 3.31Å; S186-F190 VanDerWaalsContact O-N 3.12Å; A187-F190 PolarHBondContact O-N 2.87Å; F190-R194 WeakPolarHBondContact O-CB 3.48Å; F190-R194 PolarHBondContact O-N 3.26Å; F190-R194 VanDerWaalsContact O-N 3.13Å
191A87Confident85.7Confident36 Ų3694 Ų9430%0.29849%0.487SS..Hα-helixtrans-65.1-44.1171.800000112.1A187 L188 R189 R194 M195A187-A191 PolarHBondContact O-N 3.05Å; L188-A191 WeakPolarHBondContact O-CB 3.32Å; L188-A191 PolarHBondContact O-N 2.83Å; R189-A191 VanDerWaalsContact C-N 3.29Å; R189-A191 PolarHBondContact O-N 3.13Å; A191-R194 WeakPolarHBondContact O-CB 3.08Å; A191-R194 PolarHBondContact O-N 3.43Å; A191-M195 WeakPolarHBondContact O-CG 3.37Å; A191-M195 PolarHBondContact O-N 2.71Å
192R88.8Confident86.6Confident198 Ų19890 Ų9075%0.74745%0.445SS*.Hα-helixtrans-62.8-49.2177.7-157.3179.2-157173.15.7112.3L188 R189 R194 M195 E196L188-R192 PolarHBondContact O-N 2.87Å; R189-R192 PolarHBondContact O-N 3.39Å; R192-R194 PolarHBondContact O-N 2.85Å; R192-M195 PolarHBondContact O-N 3.02Å; R192-M195 VanDerWaalsContact O-N 3.15Å; R192-E196 WeakPolarHBondContact O-CB 3.44Å; R192-E196 PolarHBondContact O-N 3.25Å
193L89.9Confident87.7Confident59 Ų5983.4 Ų83.431%0.30942%0.42SS..Hα-helixtrans-58.1-36.4176.5-78.1168.3000112.4R189 K197R189-L193 HydrophobicContact CG-CD1 4.19Å; R189-L193 PolarHBondContact O-N 2.97Å; L193-K197 WeakPolarHBondContact O-CB 3.44Å; L193-K197 WeakPolarHBondContact O-CG 3.5Å; L193-K197 PolarHBondContact O-N 3.03Å
194R89.8Confident88.9Confident21 Ų2186.6 Ų86.68%0.07943%0.425CS..Hα-helixtrans-65.8-49.1175.7-175.8-176.3-40.7102.58.1111.8P177 K178 F190 A191 R192 E196 K197 R198P177-R194 HydrophobicContact CB-CB 4.38Å; P177-R194 HydrophobicContact CB-CG 4.47Å; P177-R194 WeakPolarHBondContact O-CD 3.28Å; P177-R194 VanDerWaalsContact O-CG 3.31Å; P177-R194 WeakPolarHBondContact O-CG 3.27Å; K178-R194 PolarHBondContact O-NE 3.21Å; K178-R194 PolarHBondContact O-NH2 3.44Å; F190-R194 WeakPolarHBondContact O-CB 3.48Å; F190-R194 PolarHBondContact O-N 3.26Å; F190-R194 VanDerWaalsContact O-N 3.13Å; A191-R194 WeakPolarHBondContact O-CB 3.08Å; A191-R194 PolarHBondContact O-N 3.43Å; R192-R194 PolarHBondContact O-N 2.85Å; R194-E196 VanDerWaalsContact C-N 3.29Å; R194-E196 PolarHBondContact O-N 3.35Å; R194-K197 PolarHBondContact O-N 3.1Å; R194-R198 WeakPolarHBondContact O-CG 3.36Å; R194-R198 PolarHBondContact O-N 2.93Å
195M89.5Confident89.4Confident102 Ų10283.1 Ų83.150%0.50239%0.39SS..Hα-helixtrans-63.5-38.6178.9-65.3-53.4-68.600111.4A191 R192 R198 H199A191-M195 WeakPolarHBondContact O-CG 3.37Å; A191-M195 PolarHBondContact O-N 2.71Å; R192-M195 PolarHBondContact O-N 3.02Å; R192-M195 VanDerWaalsContact O-N 3.15Å; M195-R198 PolarHBondContact O-N 3.33Å; M195-H199 WeakPolarHBondContact O-CB 3.39Å; M195-H199 PolarHBondContact O-N 3.39Å
196E91.4Very high90Very high111 Ų11174 Ų7452%0.51935%0.347SS..Hα-helixtrans-62.5-45.5175.4-171.6-178.1173.800112.1R192 R194 R198 H199 N200R192-E196 WeakPolarHBondContact O-CB 3.44Å; R192-E196 PolarHBondContact O-N 3.25Å; R194-E196 VanDerWaalsContact C-N 3.29Å; R194-E196 PolarHBondContact O-N 3.35Å; E196-R198 PolarHBondContact O-N 2.89Å; E196-H199 PolarHBondContact O-N 3.04Å; E196-N200 PolarHBondContact O-N 2.87Å; E196-N200 PolarHBondContact O-ND2 3.37Å
197K91.8Very high90.6Very high115 Ų11576.4 Ų76.450%0.535%0.352SS..Hα-helixtrans-65.7-36.7175.9-72.3-68.8-178.6-177.50112.7L176 P177 L193 R194 Y201L176-K197 HydrophobicContact CD2-CB 4.13Å; P177-K197 HydrophobicContact CG-CB 4.28Å; P177-K197 HydrophobicContact CG-CG 4.11Å; L193-K197 WeakPolarHBondContact O-CB 3.44Å; L193-K197 WeakPolarHBondContact O-CG 3.5Å; L193-K197 PolarHBondContact O-N 3.03Å; R194-K197 PolarHBondContact O-N 3.1Å; K197-Y201 WeakPolarHBondContact O-CB 3.32Å; K197-Y201 PolarHBondContact O-N 3.39Å
198R90.8Very high91.1Very high66 Ų6675 Ų7525%0.24934%0.339CS..Hα-helixtrans-64-45.8172.9-73.1-178.1-168.9-172.2-0.3111.9L176 R194 M195 E196 N200 Y201 V202 F232L176-R198 HydrophobicContact CD1-CG 4.44Å; R194-R198 WeakPolarHBondContact O-CG 3.36Å; R194-R198 PolarHBondContact O-N 2.93Å; M195-R198 PolarHBondContact O-N 3.33Å; E196-R198 PolarHBondContact O-N 2.89Å; R198-N200 VanDerWaalsContact C-N 3.33Å; R198-N200 PolarHBondContact O-N 3.41Å; R198-Y201 WeakPolarHBondContact O-CA 3.33Å; R198-Y201 WeakPolarHBondContact O-CB 2.78Å; R198-Y201 PolarHBondContact O-N 3.26Å; R198-Y201 VanDerWaalsContact O-N 3.08Å; R198-V202 WeakPolarHBondContact O-CG2 3.47Å; R198-V202 PolarHBondContact O-N 3.03Å; R198-F232 HydrophobicContact CB-CE1 4.12Å; R198-F232 HydrophobicContact CG-CE1 3.79Å; R198-F232 HydrophobicContact CG-CZ 3.88Å
199H91.3Very high91.5Very high86 Ų8668 Ų6840%0.39830%0.302SS..Hα-helixtrans-60-44.2177.7-177.780.4000111.7M195 E196 Y201 V202 R203 M241M195-H199 WeakPolarHBondContact O-CB 3.39Å; M195-H199 PolarHBondContact O-N 3.39Å; E196-H199 PolarHBondContact O-N 3.04Å; H199-Y201 VanDerWaalsContact C-N 3.28Å; H199-Y201 PolarHBondContact O-N 3.28Å; H199-V202 PolarHBondContact O-N 3.45Å; H199-R203 PolarHBondContact CD2-NH2 2.77Å; H199-R203 PolarHBondContact NE2-NH2 2.75Å; H199-R203 WeakPolarHBondContact O-CB 3.49Å; H199-R203 PolarHBondContact O-N 3.1Å; H199-M241 WeakPolarHBondContact CE1-CE 3.49Å; H199-M241 PolarHBondContact CE1-SD 2.83Å
200N92.4Very high91.8Very high63 Ų6363 Ų6334%0.33729%0.288SS..Hα-helixtrans-63.7-33.8174.5-71.2-29.8000112.8E196 R198 K204E196-N200 PolarHBondContact O-N 2.87Å; E196-N200 PolarHBondContact O-ND2 3.37Å; R198-N200 VanDerWaalsContact C-N 3.33Å; R198-N200 PolarHBondContact O-N 3.41Å; N200-K204 WeakPolarHBondContact O-CB 3.39Å; N200-K204 PolarHBondContact O-N 3.01Å
201Y93.1Very high92.1Very high7 Ų766.1 Ų66.13%0.02730%0.304CS..Hα-helixtrans-67.6-48.6174.7173-129.5000112I151 D152 G155 A156 F172 V174 L176 K197 R198 H199 R203 K204 V205I151-Y201 HydrophobicContact CD1-CE1 3.93Å; I151-Y201 HydrophobicContact CG1-CE1 3.76Å; D152-Y201 WeakPolarHBondContact O-CE1 3.41Å; D152-Y201 PolarHBondContact O-OH 2.69Å; G155-Y201 PolarHBondContact O-OH 2.98Å; A156-Y201 HydrophobicContact CB-CE2 4.28Å; A156-Y201 PolarHBondContact N-OH 3.01Å; F172-Y201 HydrophobicContact CE2-CD2 4.21Å; F172-Y201 AromaticContact CE2-CE2 3.78Å; F172-Y201 HydrophobicContact CE2-CE2 3.78Å; F172-Y201 HydrophobicContact CZ-CE2 4.32Å; V174-Y201 HydrophobicContact CB-CD2 4.2Å; V174-Y201 HydrophobicContact CB-CE2 4.23Å; V174-Y201 HydrophobicContact CG1-CD2 3.59Å; V174-Y201 HydrophobicContact CG1-CE2 3.69Å; V174-Y201 HydrophobicContact CG2-CD1 4.38Å; V174-Y201 HydrophobicContact CG2-CD2 3.75Å; V174-Y201 HydrophobicContact CG2-CE1 4.14Å; V174-Y201 HydrophobicContact CG2-CE2 3.5Å; V174-Y201 VanDerWaalsContact CG2-CE2 3.5Å; V174-Y201 HydrophobicContact CG2-CG 4.17Å; L176-Y201 HydrophobicContact CD1-CD1 3.82Å; L176-Y201 HydrophobicContact CD1-CE1 4.25Å; L176-Y201 HydrophobicContact CD1-CG 4.43Å; K197-Y201 WeakPolarHBondContact O-CB 3.32Å; K197-Y201 PolarHBondContact O-N 3.39Å; R198-Y201 WeakPolarHBondContact O-CA 3.33Å; R198-Y201 WeakPolarHBondContact O-CB 2.78Å; R198-Y201 PolarHBondContact O-N 3.26Å; R198-Y201 VanDerWaalsContact O-N 3.08Å; H199-Y201 VanDerWaalsContact C-N 3.28Å; H199-Y201 PolarHBondContact O-N 3.28Å; Y201-R203 VanDerWaalsContact C-N 3.27Å; Y201-R203 PolarHBondContact O-N 2.94Å; Y201-K204 PolarHBondContact O-N 3.23Å; Y201-K204 VanDerWaalsContact O-N 3.16Å; Y201-V205 HydrophobicContact CD2-CG2 3.91Å; Y201-V205 HydrophobicContact CE2-CG2 3.5Å; Y201-V205 WeakPolarHBondContact O-CG2 3.35Å; Y201-V205 PolarHBondContact O-N 2.84Å
202V92.5Very high92.3Very high4 Ų466.5 Ų66.52%0.02430%0.301CS..Hα-helixtrans-57.5-42.8175.6175.50000110.5R198 H199 V205 A206 L236 M241R198-V202 WeakPolarHBondContact O-CG2 3.47Å; R198-V202 PolarHBondContact O-N 3.03Å; H199-V202 PolarHBondContact O-N 3.45Å; V202-V205 PolarHBondContact O-N 2.81Å; V202-A206 WeakPolarHBondContact O-CB 3.36Å; V202-A206 PolarHBondContact O-N 3.08Å; V202-L236 HydrophobicContact CG1-CB 4.33Å; V202-L236 HydrophobicContact CG1-CD1 3.76Å; V202-M241 HydrophobicContact CB-CE 4.21Å; V202-M241 HydrophobicContact CG1-CE 3.82Å
203R93.3Very high92.5Very high100 Ų10057.1 Ų57.138%0.37727%0.265SS..Hα-helixtrans-57.8-50.8174.3-173.4-178.2-58.4171.92.2112.3H199 Y201 V205 A206 E207 M241H199-R203 PolarHBondContact CD2-NH2 2.77Å; H199-R203 PolarHBondContact NE2-NH2 2.75Å; H199-R203 WeakPolarHBondContact O-CB 3.49Å; H199-R203 PolarHBondContact O-N 3.1Å; Y201-R203 VanDerWaalsContact C-N 3.27Å; Y201-R203 PolarHBondContact O-N 2.94Å; R203-V205 VanDerWaalsContact C-N 3.28Å; R203-V205 PolarHBondContact O-N 3.29Å; R203-A206 PolarHBondContact O-N 3.15Å; R203-E207 HydrophobicContact CG-CG 4.41Å; R203-E207 WeakPolarHBondContact CG-OE1 3.47Å; R203-E207 WeakPolarHBondContact O-CG 3.4Å; R203-E207 PolarHBondContact O-N 3.13Å; R203-M241 HydrophobicContact CB-SD 3.77Å; R203-M241 HydrophobicContact CG-SD 4.13Å
204K94.6Very high92.6Very high98 Ų9855.3 Ų55.343%0.42626%0.257SS..Hα-helixtrans-59.5-41179.2-175.7178.9177.8-176.60111.5F172 N200 Y201 T208F172-K204 HydrophobicContact CD2-CD 4.49Å; F172-K204 HydrophobicContact CE1-CG 4.5Å; F172-K204 HydrophobicContact CE2-CD 3.88Å; F172-K204 HydrophobicContact CE2-CG 4.31Å; F172-K204 HydrophobicContact CZ-CD 3.98Å; F172-K204 HydrophobicContact CZ-CG 3.92Å; N200-K204 WeakPolarHBondContact O-CB 3.39Å; N200-K204 PolarHBondContact O-N 3.01Å; Y201-K204 PolarHBondContact O-N 3.23Å; Y201-K204 VanDerWaalsContact O-N 3.16Å; K204-T208 WeakPolarHBondContact O-CB 3.38Å; K204-T208 PolarHBondContact O-N 3.43Å; K204-T208 PolarHBondContact O-OG1 3.34Å
205V94.3Very high92.6Very high0 Ų057.1 Ų57.10%027%0.273CS..Hα-helixtrans-64.3-46176.9171.40000110.9I149 I151 A156 F158 F172 Y201 V202 R203 T208 A209 L236I149-V205 HydrophobicContact CG2-CG1 3.95Å; I151-V205 HydrophobicContact CD1-CG1 4.35Å; I151-V205 HydrophobicContact CD1-CG2 4.28Å; A156-V205 HydrophobicContact CB-CG2 3.74Å; F158-V205 HydrophobicContact CE1-CG1 4.19Å; F158-V205 HydrophobicContact CZ-CB 4.36Å; F158-V205 HydrophobicContact CZ-CG1 3.83Å; F158-V205 WeakPolarHBondContact CZ-O 3.46Å; F172-V205 HydrophobicContact CE2-CG2 4.48Å; F172-V205 HydrophobicContact CZ-CG2 3.83Å; Y201-V205 HydrophobicContact CD2-CG2 3.91Å; Y201-V205 HydrophobicContact CE2-CG2 3.5Å; Y201-V205 WeakPolarHBondContact O-CG2 3.35Å; Y201-V205 PolarHBondContact O-N 2.84Å; V202-V205 PolarHBondContact O-N 2.81Å; R203-V205 VanDerWaalsContact C-N 3.28Å; R203-V205 PolarHBondContact O-N 3.29Å; V205-T208 PolarHBondContact O-N 3.21Å; V205-A209 WeakPolarHBondContact O-CB 3.49Å; V205-A209 PolarHBondContact O-N 2.94Å; V205-L236 HydrophobicContact CG1-CD1 4.28Å; V205-L236 HydrophobicContact CG1-CD2 3.88Å
206A94.5Very high92.3Very high0 Ų060.1 Ų60.10%029%0.291CS..Hα-helixtrans-60.5-48.3177.600000112.2V202 R203 T208 A209 V210 L236 F242V202-A206 WeakPolarHBondContact O-CB 3.36Å; V202-A206 PolarHBondContact O-N 3.08Å; R203-A206 PolarHBondContact O-N 3.15Å; A206-T208 PolarHBondContact O-N 3.36Å; A206-A209 WeakPolarHBondContact O-CB 3.49Å; A206-A209 PolarHBondContact O-N 2.98Å; A206-V210 WeakPolarHBondContact O-CG2 3.33Å; A206-V210 PolarHBondContact O-N 3.33Å; A206-V210 VanDerWaalsContact O-N 3.15Å; A206-L236 HydrophobicContact CB-CD1 4Å; A206-F242 HydrophobicContact CB-CD2 3.96Å
207E93.7Very high91.8Very high110 Ų11060.8 Ų60.851%0.51430%0.298SS..Hα-helixtrans-62.6-41.4178.2-71.4171.7-17800112.1R203 A209 V210 Q211R203-E207 HydrophobicContact CG-CG 4.41Å; R203-E207 WeakPolarHBondContact CG-OE1 3.47Å; R203-E207 WeakPolarHBondContact O-CG 3.4Å; R203-E207 PolarHBondContact O-N 3.13Å; E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 3.21Å; E207-V210 PolarHBondContact O-N 3.39Å; E207-Q211 WeakPolarHBondContact O-CG 3.44Å; E207-Q211 PolarHBondContact O-N 2.95Å; E207-Q211 VanDerWaalsContact O-N 3.16Å
208T94.8Very high91.4Very high15 Ų1560 Ų609%0.09230%0.295CS..Hα-helixtrans-66.1-36.5176.9-520000111.2F158 F172 K204 V205 A206 V210 Q211 L212F158-T208 HydrophobicContact CD2-CG2 4.11Å; F158-T208 HydrophobicContact CE1-CG2 4.44Å; F158-T208 HydrophobicContact CE2-CG2 3.73Å; F158-T208 HydrophobicContact CZ-CG2 3.9Å; F172-T208 HydrophobicContact CE1-CG2 4.29Å; K204-T208 WeakPolarHBondContact O-CB 3.38Å; K204-T208 PolarHBondContact O-N 3.43Å; K204-T208 PolarHBondContact O-OG1 3.34Å; V205-T208 PolarHBondContact O-N 3.21Å; A206-T208 PolarHBondContact O-N 3.36Å; T208-V210 VanDerWaalsContact C-N 3.32Å; T208-V210 PolarHBondContact O-N 3.49Å; T208-Q211 PolarHBondContact O-N 2.89Å; T208-L212 HydrophobicContact CG2-CD1 3.86Å; T208-L212 HydrophobicContact CG2-CG 4.45Å; T208-L212 WeakPolarHBondContact O-CG 3.35Å; T208-L212 PolarHBondContact O-N 3.19Å; T208-L212 VanDerWaalsContact O-N 3.16Å
209A94.1Very high91.3Very high0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-60.7-42.8175.400000111.5I149 F158 V205 A206 E207 L212 F213 F242 L246I149-A209 HydrophobicContact CD1-CB 3.64Å; F158-A209 HydrophobicContact CE1-CB 3.92Å; V205-A209 WeakPolarHBondContact O-CB 3.49Å; V205-A209 PolarHBondContact O-N 2.94Å; A206-A209 WeakPolarHBondContact O-CB 3.49Å; A206-A209 PolarHBondContact O-N 2.98Å; E207-A209 VanDerWaalsContact C-N 3.32Å; E207-A209 PolarHBondContact O-N 3.21Å; A209-L212 PolarHBondContact O-N 3.44Å; A209-F213 HydrophobicContact CB-CD2 4.3Å; A209-F213 WeakPolarHBondContact O-CB 3.38Å; A209-F213 WeakPolarHBondContact O-CD2 3.33Å; A209-F213 PolarHBondContact O-N 3.11Å; A209-F242 HydrophobicContact CB-CE2 3.96Å; A209-L246 HydrophobicContact CB-CD1 4.01Å
210V93.6Very high91.1Very high45 Ų4556.9 Ų56.927%0.27329%0.286SS..Hα-helixtrans-61.7-47.2177177.10000110.8A206 E207 T208 L212 V214 D243 L246A206-V210 WeakPolarHBondContact O-CG2 3.33Å; A206-V210 PolarHBondContact O-N 3.33Å; A206-V210 VanDerWaalsContact O-N 3.15Å; E207-V210 PolarHBondContact O-N 3.39Å; T208-V210 VanDerWaalsContact C-N 3.32Å; T208-V210 PolarHBondContact O-N 3.49Å; V210-L212 PolarHBondContact O-N 3.41Å; V210-V214 HydrophobicContact CG1-CB 4.24Å; V210-V214 HydrophobicContact CG1-CG2 4.14Å; V210-V214 WeakPolarHBondContact O-CA 3.39Å; V210-V214 VanDerWaalsContact O-CB 3.23Å; V210-V214 WeakPolarHBondContact O-CB 3.44Å; V210-V214 PolarHBondContact O-N 3.09Å; V210-D243 HydrophobicContact CG2-CB 3.54Å; V210-L246 HydrophobicContact CG2-CD1 4.01Å
211Q92.5Very high90.9Very high152 Ų15254.2 Ų54.271%0.7127%0.272SS*.Hα-helixtrans-60.3-31.8179.8-69.4176.7-0.700113.6E207 T208E207-Q211 WeakPolarHBondContact O-CG 3.44Å; E207-Q211 PolarHBondContact O-N 2.95Å; E207-Q211 VanDerWaalsContact O-N 3.16Å; T208-Q211 PolarHBondContact O-N 2.89Å
212L92.4Very high90.5Very high45 Ų4555.4 Ų55.424%0.23628%0.284CS..Hα-helixtrans-94-40.5-175.6-66172.6000113.4F158 L169 H170 T208 A209 V210 N220F158-L212 HydrophobicContact CB-CD1 3.55Å; F158-L212 HydrophobicContact CD1-CD1 4.12Å; F158-L212 HydrophobicContact CD2-CD1 4.14Å; F158-L212 HydrophobicContact CG-CD1 3.67Å; L169-L212 HydrophobicContact CB-CD1 4.47Å; L169-L212 HydrophobicContact CB-CD2 4.41Å; L169-L212 HydrophobicContact CD1-CB 4.41Å; H170-L212 HydrophobicContact CB-CD1 3.63Å; H170-L212 HydrophobicContact CB-CD2 4.45Å; T208-L212 HydrophobicContact CG2-CD1 3.86Å; T208-L212 HydrophobicContact CG2-CG 4.45Å; T208-L212 WeakPolarHBondContact O-CG 3.35Å; T208-L212 PolarHBondContact O-N 3.19Å; T208-L212 VanDerWaalsContact O-N 3.16Å; A209-L212 PolarHBondContact O-N 3.44Å; V210-L212 PolarHBondContact O-N 3.41Å; L212-N220 PolarHBondContact O-ND2 3.17Å
213F93.3Very high90.4Very high0 Ų055.2 Ų55.20%028%0.283CS..Hα-helixtrans-100.7-9.7-172.6-63.4-60.1000113.9I149 F158 T160 L169 A209 V219 N220 V221 M224 L246I149-F213 HydrophobicContact CD1-CD2 4.42Å; I149-F213 HydrophobicContact CD1-CE2 4.08Å; I149-F213 HydrophobicContact CG1-CE2 3.74Å; F158-F213 HydrophobicContact CB-CE2 4.5Å; F158-F213 HydrophobicContact CB-CZ 4.46Å; F158-F213 AromaticContact CD1-CE2 3.93Å; F158-F213 HydrophobicContact CD1-CE2 3.93Å; T160-F213 HydrophobicContact CG2-CD1 4.44Å; T160-F213 HydrophobicContact CG2-CE1 3.66Å; L169-F213 HydrophobicContact CD1-CE1 4.03Å; A209-F213 HydrophobicContact CB-CD2 4.3Å; A209-F213 WeakPolarHBondContact O-CB 3.38Å; A209-F213 WeakPolarHBondContact O-CD2 3.33Å; A209-F213 PolarHBondContact O-N 3.11Å; F213-V219 CarbonylContact O-C 3.56Å; F213-V219 WeakPolarHBondContact O-CA 3.22Å; F213-N220 WeakPolarHBondContact CA-OD1 3.38Å; F213-N220 VanDerWaalsContact O-CG 3.26Å; F213-N220 PolarHBondContact O-N 3.21Å; F213-N220 PolarHBondContact O-OD1 3.41Å; F213-N220 VanDerWaalsContact O-OD1 3.07Å; F213-V221 HydrophobicContact CD1-CG1 3.88Å; F213-V221 HydrophobicContact CD1-CG2 4.27Å; F213-V221 HydrophobicContact CE1-CG1 4.24Å; F213-M224 HydrophobicContact CD2-SD 4.47Å; F213-L246 HydrophobicContact CB-CD2 3.76Å
214V91.7Very high90.3Very high22 Ų2250.5 Ų50.513%0.13327%0.265CS..EExtended strand (participates in β ladder)trans-108.8122.2172.8-173.20000108.7V210 K218 L246V210-V214 HydrophobicContact CG1-CB 4.24Å; V210-V214 HydrophobicContact CG1-CG2 4.14Å; V210-V214 WeakPolarHBondContact O-CA 3.39Å; V210-V214 VanDerWaalsContact O-CB 3.23Å; V210-V214 WeakPolarHBondContact O-CB 3.44Å; V210-V214 PolarHBondContact O-N 3.09Å; V214-K218 WeakPolarHBondContact CA-O 3.21Å; V214-L246 HydrophobicContact CG2-CD1 4.21Å; V214-L246 HydrophobicContact CG2-CD2 4.01Å; V214-L246 HydrophobicContact CG2-CG 4.02Å
215S88.3Confident90.3Very high58 Ų5845.9 Ų45.941%0.40625%0.245SC..EExtended strand (participates in β ladder)trans-132.1127.9176.6-54.50000108.2D217 K218 N220S215-D217 PolarHBondContact O-N 3.2Å; S215-K218 PolarHBondContact N-O 2.99Å; S215-K218 PolarHBondContact O-N 2.69Å; S215-K218 VanDerWaalsContact O-N 3.12Å; S215-N220 PolarHBondContact OG-ND2 3.36Å
216N83.2Confident90.3Very high166 Ų16645.9 Ų45.989%0.88825%0.245SC*.THydrogen-bonded Turntrans50.751.6-175.9-57.6-27000112.8K218N216-K218 PolarHBondContact O-N 2.88Å
217D82.4Confident90.4Very high124 Ų12445.9 Ų45.966%0.66325%0.245SC*.THydrogen-bonded Turntrans61.24.6-178.8-79.7-58.2000116.6S215 R245S215-D217 PolarHBondContact O-N 3.2Å; D217-R245 PolarHBondContact O-NH1 2.82Å; D217-R245 IonicContact OD1-CZ 2.64Å; D217-R245 IonicContact OD1-NH1 3.43Å; D217-R245 PolarHBondContact OD1-NH1 3.26Å; D217-R245 IonicContact OD1-NH2 2.69Å
218K83.2Confident90.3Very high100 Ų10040.6 Ų40.644%0.43522%0.22SC..EExtended strand (participates in β ladder)trans-119.5143.6-179.7-163.2172.9-171.31750111.3D4 V214 S215 N216 N220D4-K218 IonicContact OD1-NZ 3.4Å; D4-K218 PolarHBondContact OD1-NZ 3.13Å; D4-K218 WeakPolarHBondContact OD2-CE 3.39Å; D4-K218 IonicContact OD2-NZ 3.71Å; D4-K218 PolarHBondContact OD2-NZ 3.02Å; V214-K218 WeakPolarHBondContact CA-O 3.21Å; S215-K218 PolarHBondContact N-O 2.99Å; S215-K218 PolarHBondContact O-N 2.69Å; S215-K218 VanDerWaalsContact O-N 3.12Å; N216-K218 PolarHBondContact O-N 2.88Å; K218-N220 PolarHBondContact O-N 2.63Å
219V88.9Confident89.7Confident24 Ų2441.6 Ų41.615%0.14523%0.228CC..EExtended strand (participates in β ladder)trans-69125173.5-175.70000108.5F213 V221 R245 L246 K249F213-V219 CarbonylContact O-C 3.56Å; F213-V219 WeakPolarHBondContact O-CA 3.22Å; V219-V221 VanDerWaalsContact C-N 3.31Å; V219-V221 HydrophobicContact CG1-CG2 3.53Å; V219-R245 HydrophobicContact CG2-CB 3.95Å; V219-L246 HydrophobicContact CB-CD2 4.45Å; V219-L246 HydrophobicContact CG1-CD2 3.78Å; V219-L246 HydrophobicContact CG2-CD2 3.87Å; V219-K249 HydrophobicContact CG1-CG 4.44Å
220N87.3Confident89Confident61 Ų6144.6 Ų44.633%0.32625%0.253SS..SBendtrans-84.9-3.8-176.165.115.7000113.7L212 F213 S215 K218L212-N220 PolarHBondContact O-ND2 3.17Å; F213-N220 WeakPolarHBondContact CA-OD1 3.38Å; F213-N220 VanDerWaalsContact O-CG 3.26Å; F213-N220 PolarHBondContact O-N 3.21Å; F213-N220 PolarHBondContact O-OD1 3.41Å; F213-N220 VanDerWaalsContact O-OD1 3.07Å; S215-N220 PolarHBondContact OG-ND2 3.36Å; K218-N220 PolarHBondContact O-N 2.63Å
221V87.9Confident88.7Confident7 Ų748 Ų484%0.04227%0.269CS..SBendtrans-112.4144.9177.4-68.90000111.3K145 T160 F213 V219 G223K145-V221 HydrophobicContact CG-CG1 4.21Å; K145-V221 CarbonylContact O-C 3.55Å; K145-V221 VanDerWaalsContact O-CA 3.32Å; K145-V221 WeakPolarHBondContact O-CA 3.32Å; K145-V221 WeakPolarHBondContact O-CB 3.44Å; T160-V221 HydrophobicContact CG2-CG1 4.28Å; F213-V221 HydrophobicContact CD1-CG1 3.88Å; F213-V221 HydrophobicContact CD1-CG2 4.27Å; F213-V221 HydrophobicContact CE1-CG1 4.24Å; V219-V221 VanDerWaalsContact C-N 3.31Å; V219-V221 HydrophobicContact CG1-CG2 3.53Å; V221-G223 VanDerWaalsContact C-N 3.3Å
222A84.6Confident88.4Confident33 Ų3342 Ų4227%0.27324%0.241SC..SBendtrans-69.9-31.3178.600000112.3K145 F146K145-A222 PolarHBondContact O-N 2.95Å; F146-A222 HydrophobicContact CE1-CB 4.29Å
223G89Confident88.3Confident0 Ų040 Ų400%023%0.231CC..EExtended strand (participates in β ladder)trans-162.716917500000111F146 G147 V221 K249F146-G223 WeakPolarHBondContact CA-O 3.19Å; G147-G223 PolarHBondContact N-O 3.34Å; V221-G223 VanDerWaalsContact C-N 3.3Å; G223-K249 CarbonylContact C-O 3.58Å; G223-K249 WeakPolarHBondContact CA-O 3.3Å
224M92Very high88.2Confident0 Ų041.9 Ų41.90%024%0.242CC..EExtended strand (participates in β ladder)trans-135.5141.2-172.9-173.1172.156.800111.1G147 I149 F213 L226 F242 L246 K249 V250 L251G147-M224 CarbonylContact O-C 3.53Å; G147-M224 VanDerWaalsContact O-CA 3.25Å; G147-M224 WeakPolarHBondContact O-CA 3.43Å; I149-M224 HydrophobicContact CD1-SD 3.64Å; I149-M224 HydrophobicContact CG1-SD 4.21Å; F213-M224 HydrophobicContact CD2-SD 4.47Å; M224-L226 HydrophobicContact CE-CD2 4.2Å; M224-L226 HydrophobicContact CG-CD2 4.33Å; M224-L226 HydrophobicContact SD-CD2 4.3Å; M224-F242 HydrophobicContact CE-CE1 3.55Å; M224-F242 HydrophobicContact CE-CZ 3.38Å; M224-F242 HydrophobicContact SD-CZ 4.07Å; M224-L246 HydrophobicContact CE-CB 3.95Å; M224-L246 WeakPolarHBondContact CE-O 3.44Å; M224-K249 PolarHBondContact N-O 2.96Å; M224-V250 HydrophobicContact CE-CG2 3.47Å; M224-V250 VanDerWaalsContact CE-CG2 3.47Å; M224-V250 CarbonylContact O-C 3.51Å; M224-V250 WeakPolarHBondContact O-CA 3.14Å; M224-L251 PolarHBondContact O-N 3.37Å
225V94.5Very high88.1Confident1 Ų144.5 Ų44.51%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-114.2126.3175.1178.80000108.4G147 F148 I149 V254 S271 L275G147-V225 PolarHBondContact O-N 2.81Å; F148-V225 WeakPolarHBondContact CA-O 3.23Å; F148-V225 HydrophobicContact CD1-CB 3.81Å; F148-V225 HydrophobicContact CD1-CG1 4.11Å; F148-V225 HydrophobicContact CD1-CG2 4.49Å; F148-V225 HydrophobicContact CE1-CB 3.82Å; F148-V225 HydrophobicContact CE1-CG1 4.02Å; F148-V225 HydrophobicContact CE1-CG2 4.06Å; F148-V225 HydrophobicContact CG-CB 4.4Å; F148-V225 HydrophobicContact CZ-CB 4.41Å; F148-V225 HydrophobicContact CZ-CG2 4.22Å; I149-V225 PolarHBondContact N-O 2.76Å; V225-V254 HydrophobicContact CG1-CB 4.39Å; V225-V254 HydrophobicContact CG1-CG2 3.64Å; V225-S271 WeakPolarHBondContact CG1-OG 3.36Å; V225-L275 HydrophobicContact CG2-CD2 4.24Å
226L94.9Very high88.2Confident0 Ų041.7 Ų41.70%023%0.233CC..EExtended strand (participates in β ladder)trans-98.5114.9170.7-52.7179.6000107.8I149 M224 K233 L236 F242 V250 K252 L253 V254I149-L226 HydrophobicContact CB-CD2 3.74Å; I149-L226 HydrophobicContact CD1-CD2 3.75Å; I149-L226 HydrophobicContact CG1-CD2 4.05Å; I149-L226 HydrophobicContact CG2-CD2 4.45Å; M224-L226 HydrophobicContact CE-CD2 4.2Å; M224-L226 HydrophobicContact CG-CD2 4.33Å; M224-L226 HydrophobicContact SD-CD2 4.3Å; L226-K233 HydrophobicContact CB-CB 4.27Å; L226-L236 HydrophobicContact CD1-CD2 4.49Å; L226-L236 HydrophobicContact CD2-CD2 4.24Å; L226-F242 HydrophobicContact CD2-CZ 4.5Å; L226-V250 HydrophobicContact CD1-CG1 4.19Å; L226-V250 HydrophobicContact CD1-CG2 4.01Å; L226-V250 HydrophobicContact CG-CG1 4.21Å; L226-V250 HydrophobicContact CG-CG2 4.26Å; L226-K252 PolarHBondContact N-O 2.74Å; L226-K252 VanDerWaalsContact N-O 3.16Å; L226-L253 HydrophobicContact CB-CD2 3.65Å; L226-L253 HydrophobicContact CD1-CD2 3.76Å; L226-L253 HydrophobicContact CG-CD2 4.08Å; L226-L253 CarbonylContact O-C 3.51Å; L226-L253 WeakPolarHBondContact O-CA 3.35Å; L226-V254 PolarHBondContact O-N 3.5Å
227A95.4Very high88.5Confident0 Ų034.8 Ų34.80%020%0.198CC..EExtended strand (participates in β ladder)trans-115.6143.3179.300000109.6I149 V150 I151 V254 I256 A267I149-A227 PolarHBondContact O-N 3.48Å; I149-A227 VanDerWaalsContact O-O 3.13Å; V150-A227 CarbonylContact C-O 3.57Å; V150-A227 VanDerWaalsContact CA-O 3.28Å; V150-A227 WeakPolarHBondContact CA-O 3.24Å; V150-A227 HydrophobicContact CG2-CB 4.36Å; I151-A227 PolarHBondContact N-O 3.11Å; A227-V254 WeakPolarHBondContact CA-O 3.45Å; A227-V254 HydrophobicContact CB-CB 4.14Å; A227-I256 HydrophobicContact CB-CD1 4.01Å; A227-I256 HydrophobicContact CB-CG2 4.23Å; A227-A267 HydrophobicContact CB-CB 3.52Å
228G92.3Very high88.8Confident0 Ų035.8 Ų35.80%020%0.198CC..EExtended strand (participates in β ladder)trans178.2162.3178.300000113.3I151 K233 V254I151-G228 WeakPolarHBondContact O-CA 3.47Å; G228-K233 PolarHBondContact O-NZ 3.06Å; G228-V254 PolarHBondContact N-O 2.92Å; G228-V254 VanDerWaalsContact N-O 3.07Å
229S81.7Confident89Confident35 Ų3531.9 Ų31.925%0.24518%0.184CC..SBendtrans-81.8137.5171.867.80000109.5D152D152-S229 PolarHBondContact OD1-OG 3.12Å
230A80.3Confident89Confident64 Ų6438.8 Ų38.853%0.52922%0.22SC..THydrogen-bonded Turntrans58.1-160-179.700000114.6F232A230-F232 VanDerWaalsContact C-N 3.28Å; A230-F232 PolarHBondContact O-N 2.87Å
231D86.6Confident89.1Confident116 Ų11638.7 Ų38.762%0.6222%0.218SC*.THydrogen-bonded Turntrans-78.4-0.8-169-60.3-42.2000114.9K233 T234 E235D231-K233 VanDerWaalsContact C-N 3.28Å; D231-K233 PolarHBondContact O-N 3.49Å; D231-T234 WeakPolarHBondContact O-CA 3.34Å; D231-T234 WeakPolarHBondContact O-CB 3.34Å; D231-T234 PolarHBondContact O-N 3.21Å; D231-E235 PolarHBondContact O-N 2.91Å
232F87.2Confident89.3Confident25 Ų2538.4 Ų38.411%0.1122%0.217CC..Hα-helixtrans-59.4-36.3-175.9-85.8-63.1000113.4I151 L176 R198 A230 T234 L236I151-F232 HydrophobicContact CD1-CB 4.1Å; I151-F232 HydrophobicContact CG1-CB 4.27Å; I151-F232 HydrophobicContact CG2-CB 4.1Å; L176-F232 HydrophobicContact CD1-CZ 4.04Å; R198-F232 HydrophobicContact CB-CE1 4.12Å; R198-F232 HydrophobicContact CG-CE1 3.79Å; R198-F232 HydrophobicContact CG-CZ 3.88Å; A230-F232 VanDerWaalsContact C-N 3.28Å; A230-F232 PolarHBondContact O-N 2.87Å; F232-T234 VanDerWaalsContact C-N 3.34Å; F232-L236 WeakPolarHBondContact O-CB 3.45Å; F232-L236 PolarHBondContact O-N 3.37Å
233K90.1Very high89.6Confident5 Ų538.7 Ų38.72%0.02221%0.214CC..Hα-helixtrans-70.3-31.7175.769.8-167.6172.5-1410112.6I151 L226 G228 D231 S237 L253 V254 D255I151-K233 HydrophobicContact CG2-CB 3.93Å; L226-K233 HydrophobicContact CB-CB 4.27Å; G228-K233 PolarHBondContact O-NZ 3.06Å; D231-K233 VanDerWaalsContact C-N 3.28Å; D231-K233 PolarHBondContact O-N 3.49Å; K233-S237 WeakPolarHBondContact O-CB 3.1Å; K233-S237 PolarHBondContact O-N 3.35Å; K233-L253 HydrophobicContact CD-CB 4.31Å; K233-V254 WeakPolarHBondContact CD-O 3.48Å; K233-V254 PolarHBondContact NZ-O 3.38Å; K233-D255 IonicContact NZ-OD1 2.88Å; K233-D255 PolarHBondContact NZ-OD1 3.32Å; K233-D255 IonicContact NZ-OD2 3.69Å; K233-D255 PolarHBondContact NZ-OD2 2.97Å
234T90.4Very high89.7Confident39 Ų3943.1 Ų43.124%0.23924%0.242CC..Hα-helixtrans-71.8-44.3177-49.70000109.4D231 F232 L236 S237 Q238D231-T234 WeakPolarHBondContact O-CA 3.34Å; D231-T234 WeakPolarHBondContact O-CB 3.34Å; D231-T234 PolarHBondContact O-N 3.21Å; F232-T234 VanDerWaalsContact C-N 3.34Å; T234-L236 VanDerWaalsContact C-N 3.33Å; T234-L236 PolarHBondContact O-N 2.96Å; T234-S237 PolarHBondContact O-N 2.95Å; T234-Q238 HydrophobicContact CG2-CG 4.47Å; T234-Q238 WeakPolarHBondContact O-CB 3.26Å; T234-Q238 WeakPolarHBondContact O-CG 3.42Å; T234-Q238 PolarHBondContact O-N 3Å
235E89.1Confident89.6Confident76 Ų7648.8 Ų48.836%0.35526%0.264SS..Hα-helixtrans-58.2-43.7172.3-72.1-175.8178.600111.4D231 S239D231-E235 PolarHBondContact O-N 2.91Å; E235-S239 WeakPolarHBondContact O-CB 3.4Å; E235-S239 PolarHBondContact O-N 3.28Å
236L90.4Very high89.5Confident0 Ų048.8 Ų48.80%026%0.263CS..Hα-helixtrans-62.3-49.1176.1-178.467.5000111.6I149 V202 V205 A206 L226 F232 T234 Q238 S239 F242I149-L236 HydrophobicContact CG2-CD2 4.25Å; V202-L236 HydrophobicContact CG1-CB 4.33Å; V202-L236 HydrophobicContact CG1-CD1 3.76Å; V205-L236 HydrophobicContact CG1-CD1 4.28Å; V205-L236 HydrophobicContact CG1-CD2 3.88Å; A206-L236 HydrophobicContact CB-CD1 4Å; L226-L236 HydrophobicContact CD1-CD2 4.49Å; L226-L236 HydrophobicContact CD2-CD2 4.24Å; F232-L236 WeakPolarHBondContact O-CB 3.45Å; F232-L236 PolarHBondContact O-N 3.37Å; T234-L236 VanDerWaalsContact C-N 3.33Å; T234-L236 PolarHBondContact O-N 2.96Å; L236-Q238 VanDerWaalsContact C-N 3.34Å; L236-Q238 PolarHBondContact O-N 3.44Å; L236-S239 PolarHBondContact O-N 3.3Å; L236-S239 PolarHBondContact O-OG 3.08Å; L236-F242 HydrophobicContact CD1-CD2 3.92Å; L236-F242 HydrophobicContact CD1-CE2 4.44Å; L236-F242 HydrophobicContact CD1-CG 4.49Å; L236-F242 HydrophobicContact CG-CD2 4.22Å; L236-F242 HydrophobicContact CG-CE2 4.48Å; L236-F242 WeakPolarHBondContact O-CB 3.42Å
237S90.9Very high89.3Confident21 Ų2152.5 Ų52.515%0.14728%0.281CS..Hα-helixtrans-64.4-35-177.3-168.60000113.4K233 T234 Q247K233-S237 WeakPolarHBondContact O-CB 3.1Å; K233-S237 PolarHBondContact O-N 3.35Å; T234-S237 PolarHBondContact O-N 2.95Å; S237-Q247 PolarHBondContact O-NE2 3.09Å
238Q88.6Confident88.9Confident144 Ų14456.2 Ų56.267%0.67331%0.312SS*.Hα-helixtrans-90.5-7.7180-66.7177.7-6.200113.2T234 L236T234-Q238 HydrophobicContact CG2-CG 4.47Å; T234-Q238 WeakPolarHBondContact O-CB 3.26Å; T234-Q238 WeakPolarHBondContact O-CG 3.42Å; T234-Q238 PolarHBondContact O-N 3Å; L236-Q238 VanDerWaalsContact C-N 3.34Å; L236-Q238 PolarHBondContact O-N 3.44Å
239S87.1Confident88.8Confident19 Ų1960.3 Ų60.313%0.13333%0.329CS..  trans-75.8139.1-177.268.40000112.5E235 L236 M241 F242E235-S239 WeakPolarHBondContact O-CB 3.4Å; E235-S239 PolarHBondContact O-N 3.28Å; L236-S239 PolarHBondContact O-N 3.3Å; L236-S239 PolarHBondContact O-OG 3.08Å; S239-M241 PolarHBondContact O-N 3.38Å; S239-M241 VanDerWaalsContact O-N 3.12Å; S239-F242 PolarHBondContact O-N 2.98Å; S239-F242 VanDerWaalsContact O-N 3.15Å
240D88.1Confident89.2Confident169 Ų16960.2 Ų60.290%0.90433%0.327SS*.THydrogen-bonded Turntrans-65.3-11.2170.8-55.6-39.9000113.1F242D240-F242 VanDerWaalsContact C-N 3.34Å
241M89.7Confident89.7Confident58 Ų5860.2 Ų60.229%0.28632%0.318SS..THydrogen-bonded Turntrans-80.3-19.2177.6-63.2-179-69.200112.3H199 V202 R203 S239H199-M241 WeakPolarHBondContact CE1-CE 3.49Å; H199-M241 PolarHBondContact CE1-SD 2.83Å; V202-M241 HydrophobicContact CB-CE 4.21Å; V202-M241 HydrophobicContact CG1-CE 3.82Å; R203-M241 HydrophobicContact CB-SD 3.77Å; R203-M241 HydrophobicContact CG-SD 4.13Å; S239-M241 PolarHBondContact O-N 3.38Å; S239-M241 VanDerWaalsContact O-N 3.12Å
242F92.5Very high89.9Confident2 Ų258 Ų581%0.00930%0.303CS..SBendtrans-81.1135.4178.6-162.8-124.1000109.9I149 A206 A209 M224 L226 L236 S239 D240 P244 L246 Q247 V250I149-F242 HydrophobicContact CD1-CE2 4.26Å; I149-F242 HydrophobicContact CD1-CZ 4.22Å; A206-F242 HydrophobicContact CB-CD2 3.96Å; A209-F242 HydrophobicContact CB-CE2 3.96Å; M224-F242 HydrophobicContact CE-CE1 3.55Å; M224-F242 HydrophobicContact CE-CZ 3.38Å; M224-F242 HydrophobicContact SD-CZ 4.07Å; L226-F242 HydrophobicContact CD2-CZ 4.5Å; L236-F242 HydrophobicContact CD1-CD2 3.92Å; L236-F242 HydrophobicContact CD1-CE2 4.44Å; L236-F242 HydrophobicContact CD1-CG 4.49Å; L236-F242 HydrophobicContact CG-CD2 4.22Å; L236-F242 HydrophobicContact CG-CE2 4.48Å; L236-F242 WeakPolarHBondContact O-CB 3.42Å; S239-F242 PolarHBondContact O-N 2.98Å; S239-F242 VanDerWaalsContact O-N 3.15Å; D240-F242 VanDerWaalsContact C-N 3.34Å; F242-P244 WeakPolarHBondContact O-CD 3.38Å; F242-L246 HydrophobicContact CE1-CB 3.78Å; F242-L246 HydrophobicContact CE2-CB 4.4Å; F242-L246 HydrophobicContact CE2-CD1 4.24Å; F242-L246 HydrophobicContact CZ-CB 3.72Å; F242-L246 HydrophobicContact CZ-CD1 4.23Å; F242-Q247 HydrophobicContact CD1-CB 3.9Å; F242-Q247 HydrophobicContact CD1-CG 4.32Å; F242-Q247 HydrophobicContact CE1-CB 4.35Å; F242-V250 HydrophobicContact CE1-CG2 4.16Å
243D91.5Very high90.2Very high39 Ų3959.8 Ų59.821%0.20931%0.314CS..  trans-61.9126.9-175.6-172.2-64.4000110.4V210 R245 L246 Q247V210-D243 HydrophobicContact CG2-CB 3.54Å; D243-R245 PolarHBondContact O-N 3.43Å; D243-R245 VanDerWaalsContact O-N 3.13Å; D243-R245 WeakPolarHBondContact OD1-CA 3.46Å; D243-R245 WeakPolarHBondContact OD1-CB 3.16Å; D243-R245 WeakPolarHBondContact OD1-CG 3.32Å; D243-R245 PolarHBondContact OD1-N 2.9Å; D243-L246 HydrophobicContact CB-CB 4.31Å; D243-L246 HydrophobicContact CB-CD1 4.2Å; D243-L246 HydrophobicContact CB-CG 4.23Å; D243-L246 WeakPolarHBondContact O-CB 3.44Å; D243-L246 PolarHBondContact O-N 3.33Å; D243-Q247 PolarHBondContact O-N 3.29Å
244P90.6Very high90.4Very high93 Ų9359.8 Ų59.860%0.60431%0.314SS*.Hα-helixtrans-57.3-30.4-177.9-26.934.6000113.8F242 Q247 A248F242-P244 WeakPolarHBondContact O-CD 3.38Å; P244-Q247 PolarHBondContact O-N 3Å; P244-A248 WeakPolarHBondContact O-CB 3.39Å; P244-A248 PolarHBondContact O-N 3.36Å
245R90.6Very high90.5Very high119 Ų11963.3 Ų63.345%0.44933%0.331SS..Hα-helixtrans-67.8-40177.7-55.4176.1-178.8166.39.9110.7D217 V219 D243D217-R245 PolarHBondContact O-NH1 2.82Å; D217-R245 IonicContact OD1-CZ 2.64Å; D217-R245 IonicContact OD1-NH1 3.43Å; D217-R245 PolarHBondContact OD1-NH1 3.26Å; D217-R245 IonicContact OD1-NH2 2.69Å; V219-R245 HydrophobicContact CG2-CB 3.95Å; D243-R245 PolarHBondContact O-N 3.43Å; D243-R245 VanDerWaalsContact O-N 3.13Å; D243-R245 WeakPolarHBondContact OD1-CA 3.46Å; D243-R245 WeakPolarHBondContact OD1-CB 3.16Å; D243-R245 WeakPolarHBondContact OD1-CG 3.32Å; D243-R245 PolarHBondContact OD1-N 2.9Å
246L90.6Very high90.7Very high0 Ų060.1 Ų60.10%032%0.316CS..Hα-helixtrans-72.7-41175.7-69.9-178.7000111A209 V210 F213 V214 V219 M224 F242 D243 A248 K249 V250A209-L246 HydrophobicContact CB-CD1 4.01Å; V210-L246 HydrophobicContact CG2-CD1 4.01Å; F213-L246 HydrophobicContact CB-CD2 3.76Å; V214-L246 HydrophobicContact CG2-CD1 4.21Å; V214-L246 HydrophobicContact CG2-CD2 4.01Å; V214-L246 HydrophobicContact CG2-CG 4.02Å; V219-L246 HydrophobicContact CB-CD2 4.45Å; V219-L246 HydrophobicContact CG1-CD2 3.78Å; V219-L246 HydrophobicContact CG2-CD2 3.87Å; M224-L246 HydrophobicContact CE-CB 3.95Å; M224-L246 WeakPolarHBondContact CE-O 3.44Å; F242-L246 HydrophobicContact CE1-CB 3.78Å; F242-L246 HydrophobicContact CE2-CB 4.4Å; F242-L246 HydrophobicContact CE2-CD1 4.24Å; F242-L246 HydrophobicContact CZ-CB 3.72Å; F242-L246 HydrophobicContact CZ-CD1 4.23Å; D243-L246 HydrophobicContact CB-CB 4.31Å; D243-L246 HydrophobicContact CB-CD1 4.2Å; D243-L246 HydrophobicContact CB-CG 4.23Å; D243-L246 WeakPolarHBondContact O-CB 3.44Å; D243-L246 PolarHBondContact O-N 3.33Å; L246-A248 VanDerWaalsContact C-N 3.33Å; L246-A248 PolarHBondContact O-N 2.66Å; L246-K249 CarbonylContact O-C 3.55Å; L246-K249 WeakPolarHBondContact O-CA 3.31Å; L246-K249 PolarHBondContact O-N 2.98Å; L246-V250 PolarHBondContact O-N 3.15Å
247Q90.8Very high90.6Very high78 Ų7864.3 Ų64.336%0.36435%0.346SS..Hα-helixtrans-57.9-43.9177.2-163-176.711.200111.9S237 F242 D243 P244 K249 V250S237-Q247 PolarHBondContact O-NE2 3.09Å; F242-Q247 HydrophobicContact CD1-CB 3.9Å; F242-Q247 HydrophobicContact CD1-CG 4.32Å; F242-Q247 HydrophobicContact CE1-CB 4.35Å; D243-Q247 PolarHBondContact O-N 3.29Å; P244-Q247 PolarHBondContact O-N 3Å; Q247-K249 PolarHBondContact O-N 2.94Å; Q247-K249 VanDerWaalsContact O-N 3.13Å; Q247-V250 WeakPolarHBondContact O-CB 3.46Å; Q247-V250 WeakPolarHBondContact O-CG2 3.39Å; Q247-V250 PolarHBondContact O-N 3.35Å; Q247-V250 VanDerWaalsContact O-N 3.12Å
248A88.4Confident90.3Very high79 Ų7971 Ų7165%0.65337%0.369SS*.THydrogen-bonded Turntrans-64-16.1176.200000114P244 L246P244-A248 WeakPolarHBondContact O-CB 3.39Å; P244-A248 PolarHBondContact O-N 3.36Å; L246-A248 VanDerWaalsContact C-N 3.33Å; L246-A248 PolarHBondContact O-N 2.66Å
249K88.9Confident90.1Very high85 Ų8565.2 Ų65.237%0.3735%0.348SS..THydrogen-bonded Turntrans-102.43.7178.4-66.7-65.3-172.11760113.2V219 G223 M224 L246 Q247 L251V219-K249 HydrophobicContact CG1-CG 4.44Å; G223-K249 CarbonylContact C-O 3.58Å; G223-K249 WeakPolarHBondContact CA-O 3.3Å; M224-K249 PolarHBondContact N-O 2.96Å; L246-K249 CarbonylContact O-C 3.55Å; L246-K249 WeakPolarHBondContact O-CA 3.31Å; L246-K249 PolarHBondContact O-N 2.98Å; Q247-K249 PolarHBondContact O-N 2.94Å; Q247-K249 VanDerWaalsContact O-N 3.13Å; K249-L251 PolarHBondContact O-N 3.47Å
250V91.5Very high90.1Very high33 Ų3365.8 Ų65.820%0.236%0.357CS..EExtended strand (participates in β ladder)trans-69.2115.3173.2178.70000109.4M224 L226 F242 L246 Q247 L253M224-V250 HydrophobicContact CE-CG2 3.47Å; M224-V250 VanDerWaalsContact CE-CG2 3.47Å; M224-V250 CarbonylContact O-C 3.51Å; M224-V250 WeakPolarHBondContact O-CA 3.14Å; L226-V250 HydrophobicContact CD1-CG1 4.19Å; L226-V250 HydrophobicContact CD1-CG2 4.01Å; L226-V250 HydrophobicContact CG-CG1 4.21Å; L226-V250 HydrophobicContact CG-CG2 4.26Å; F242-V250 HydrophobicContact CE1-CG2 4.16Å; L246-V250 PolarHBondContact O-N 3.15Å; Q247-V250 WeakPolarHBondContact O-CB 3.46Å; Q247-V250 WeakPolarHBondContact O-CG2 3.39Å; Q247-V250 PolarHBondContact O-N 3.35Å; Q247-V250 VanDerWaalsContact O-N 3.12Å; V250-L253 HydrophobicContact CG1-CD2 4.09Å
251L90Very high90.2Very high65 Ų6562.2 Ų62.234%0.3434%0.335SS..EExtended strand (participates in β ladder)trans-88.1-45.9179.7-67.4173.6000112.2F146 M224 K249 V274 L275 V278F146-L251 HydrophobicContact CD1-CD1 3.97Å; F146-L251 HydrophobicContact CE1-CD1 3.8Å; M224-L251 PolarHBondContact O-N 3.37Å; K249-L251 PolarHBondContact O-N 3.47Å; L251-V274 HydrophobicContact CB-CG1 4.34Å; L251-L275 HydrophobicContact CD1-CD2 3.92Å; L251-V278 HydrophobicContact CD1-CG2 3.74Å; L251-V278 HydrophobicContact CD2-CG2 4.3Å
252K90.9Very high90.2Very high68 Ų6865.2 Ų65.230%0.29635%0.352SS..EExtended strand (participates in β ladder)trans-149.5141.6-173.2-163.9-179.5-171.2173.90110.7L226 V254 L270 V274L226-K252 PolarHBondContact N-O 2.74Å; L226-K252 VanDerWaalsContact N-O 3.16Å; K252-V254 HydrophobicContact CB-CG2 4.42Å; K252-V254 HydrophobicContact CD-CG2 3.89Å; K252-V254 HydrophobicContact CG-CG2 4Å; K252-L270 PolarHBondContact NZ-O 3.09Å; K252-V274 HydrophobicContact CD-CB 4.34Å; K252-V274 HydrophobicContact CD-CG2 3.78Å
253L93.4Very high90.1Very high64 Ų6465.1 Ų65.134%0.33535%0.352SS..EExtended strand (participates in β ladder)trans-95.3125.6163.9-57.5-178.2000108.1L226 K233 V250L226-L253 HydrophobicContact CB-CD2 3.65Å; L226-L253 HydrophobicContact CD1-CD2 3.76Å; L226-L253 HydrophobicContact CG-CD2 4.08Å; L226-L253 CarbonylContact O-C 3.51Å; L226-L253 WeakPolarHBondContact O-CA 3.35Å; K233-L253 HydrophobicContact CD-CB 4.31Å; V250-L253 HydrophobicContact CG1-CD2 4.09Å
254V93.8Very high90.2Very high5 Ų563.4 Ų63.43%0.0334%0.342CS..EExtended strand (participates in β ladder)trans-117.1126.8-175.7-177.40000110.7V225 L226 A227 G228 K233 K252 I256 L270 S271V225-V254 HydrophobicContact CG1-CB 4.39Å; V225-V254 HydrophobicContact CG1-CG2 3.64Å; L226-V254 PolarHBondContact O-N 3.5Å; A227-V254 WeakPolarHBondContact CA-O 3.45Å; A227-V254 HydrophobicContact CB-CB 4.14Å; G228-V254 PolarHBondContact N-O 2.92Å; G228-V254 VanDerWaalsContact N-O 3.07Å; K233-V254 WeakPolarHBondContact CD-O 3.48Å; K233-V254 PolarHBondContact NZ-O 3.38Å; K252-V254 HydrophobicContact CB-CG2 4.42Å; K252-V254 HydrophobicContact CD-CG2 3.89Å; K252-V254 HydrophobicContact CG-CG2 4Å; V254-I256 HydrophobicContact CG1-CG2 3.94Å; V254-L270 HydrophobicContact CG1-CB 3.78Å; V254-L270 HydrophobicContact CG1-CD1 3.63Å; V254-L270 HydrophobicContact CG1-CG 4.38Å; V254-S271 WeakPolarHBondContact CG2-OG 3.25Å
255D93.2Very high90.1Very high112 Ų11261.6 Ų61.660%0.59933%0.327SS*.EExtended strand (participates in β ladder)trans-79121.6167.8-71.7-71.4000110.3K233K233-D255 IonicContact NZ-OD1 2.88Å; K233-D255 PolarHBondContact NZ-OD1 3.32Å; K233-D255 IonicContact NZ-OD2 3.69Å; K233-D255 PolarHBondContact NZ-OD2 2.97Å
256I93Very high90.2Very high9 Ų958.4 Ų58.45%0.04632%0.318CS..  trans-124.9148.9177.259.8177.9000110V150 A227 V254 Y258 Q266 A267V150-I256 HydrophobicContact CG1-CD1 3.56Å; A227-I256 HydrophobicContact CB-CD1 4.01Å; A227-I256 HydrophobicContact CB-CG2 4.23Å; V254-I256 HydrophobicContact CG1-CG2 3.94Å; I256-Y258 VanDerWaalsContact CD1-O 3.23Å; I256-Y258 WeakPolarHBondContact CD1-O 3.37Å; I256-Q266 HydrophobicContact CG2-CB 4.35Å; I256-Q266 HydrophobicContact CG2-CG 4.3Å; I256-A267 HydrophobicContact CG2-CB 4.11Å
257S88.2Confident90.3Very high89 Ų8958.4 Ų58.462%0.62232%0.318SS*.SBendtrans-85.3-25.5-176.4-54.40000112.6Q266S257-Q266 VanDerWaalsContact N-OE1 3.09Å
258Y85.2Confident90.2Very high162 Ų16256.3 Ų56.364%0.63531%0.309SS*.SBendtrans-125.2145.8-176.1-55.5-74.8000110.4I256 G263I256-Y258 VanDerWaalsContact CD1-O 3.23Å; I256-Y258 WeakPolarHBondContact CD1-O 3.37Å; Y258-G263 WeakPolarHBondContact O-CA 3.05Å
259G83.9Confident90.3Very high22 Ų2259.9 Ų59.923%0.22731%0.312CS..  trans-86-179.3171.700000113.4G263G259-G263 PolarHBondContact O-N 3.16Å
260G88Confident90.4Very high31 Ų3159.6 Ų59.632%0.3231%0.314SS..Hα-helixtrans66.6-146.3173.800000114.3G263 F264G260-G263 PolarHBondContact O-N 2.72Å; G260-F264 PolarHBondContact O-N 3.04Å
261E89Confident90.2Very high93 Ų9358 Ų5844%0.43531%0.305SS..Hα-helixtrans-70-32.8-174.2-70.7175.1-157.600113.2L157 K171 F264 N265L157-E261 HydrophobicContact CD1-CB 4.38Å; L157-E261 HydrophobicContact CD1-CG 3.56Å; K171-E261 IonicContact NZ-OE1 3.82Å; K171-E261 PolarHBondContact NZ-OE1 3.47Å; E261-F264 WeakPolarHBondContact O-CB 3.32Å; E261-F264 PolarHBondContact O-N 2.89Å; E261-N265 PolarHBondContact O-N 2.96Å; E261-N265 PolarHBondContact O-ND2 2.91Å
262N90.1Very high90Very high122 Ų12257.5 Ų57.565%0.65231%0.31SS*.Hα-helixtrans-68.1-42.3174.9-67.4-26.2000110.8F264 N265 Q266N262-F264 VanDerWaalsContact C-N 3.28Å; N262-F264 PolarHBondContact O-N 3Å; N262-N265 PolarHBondContact O-N 2.96Å; N262-Q266 PolarHBondContact O-N 3.02Å
263G90.8Very high89.7Confident0 Ų060.8 Ų60.80%033%0.326CS..Hα-helixtrans-60.7-36.5172.200000113.4Y258 G259 G260 Q266 A267Y258-G263 WeakPolarHBondContact O-CA 3.05Å; G259-G263 PolarHBondContact O-N 3.16Å; G260-G263 PolarHBondContact O-N 2.72Å; G263-Q266 PolarHBondContact O-N 2.94Å; G263-A267 WeakPolarHBondContact O-CB 3.31Å; G263-A267 PolarHBondContact O-N 3.22Å
264F92.4Very high89.3Confident2 Ų259.6 Ų59.61%0.00932%0.321CS..Hα-helixtrans-61.7-43.7175.6-179.3-140.4000112.1F148 V150 L157 R166 V168 G260 E261 N262 A267 I268F148-F264 HydrophobicContact CB-CD2 3.84Å; F148-F264 HydrophobicContact CB-CE2 3.45Å; F148-F264 VanDerWaalsContact CB-CE2 3.45Å; F148-F264 HydrophobicContact CD1-CD2 4.2Å; F148-F264 HydrophobicContact CD1-CE2 4.04Å; F148-F264 AromaticContact CD2-CE2 3.81Å; F148-F264 HydrophobicContact CD2-CE2 3.81Å; F148-F264 HydrophobicContact CG-CD2 4.04Å; F148-F264 AromaticContact CG-CE2 3.51Å; F148-F264 HydrophobicContact CG-CE2 3.51Å; V150-F264 HydrophobicContact CG2-CB 4.01Å; V150-F264 HydrophobicContact CG2-CD2 4.25Å; L157-F264 HydrophobicContact CD2-CB 4.11Å; L157-F264 HydrophobicContact CD2-CD1 4.18Å; L157-F264 HydrophobicContact CD2-CD2 4.4Å; L157-F264 HydrophobicContact CD2-CG 3.99Å; R166-F264 HydrophobicContact CB-CE1 4.04Å; R166-F264 HydrophobicContact CB-CZ 4.32Å; V168-F264 HydrophobicContact CG2-CD1 4.24Å; V168-F264 HydrophobicContact CG2-CE1 4.17Å; G260-F264 PolarHBondContact O-N 3.04Å; E261-F264 WeakPolarHBondContact O-CB 3.32Å; E261-F264 PolarHBondContact O-N 2.89Å; N262-F264 VanDerWaalsContact C-N 3.28Å; N262-F264 PolarHBondContact O-N 3Å; F264-A267 PolarHBondContact O-N 3.15Å; F264-I268 HydrophobicContact CD1-CD1 4.35Å; F264-I268 HydrophobicContact CD2-CD1 4.01Å; F264-I268 HydrophobicContact CD2-CG1 4.23Å; F264-I268 HydrophobicContact CE1-CD1 4.1Å; F264-I268 HydrophobicContact CE2-CD1 3.7Å; F264-I268 HydrophobicContact CE2-CG1 3.97Å; F264-I268 HydrophobicContact CG-CD1 4.32Å; F264-I268 HydrophobicContact CZ-CD1 3.77Å; F264-I268 HydrophobicContact CZ-CG1 4.49Å; F264-I268 VanDerWaalsContact O-CG1 3.31Å; F264-I268 WeakPolarHBondContact O-CG1 3.46Å; F264-I268 PolarHBondContact O-N 3.3Å
265N90.3Very high88.6Confident55 Ų5560.2 Ų60.229%0.29432%0.324SS..Hα-helixtrans-65-42.9177.2-62.4-32.4000112.2R166 E261 N262 A267 I268 E269R166-N265 PolarHBondContact NH1-ND2 3.17Å; R166-N265 VanDerWaalsContact NH1-ND2 3.18Å; R166-N265 PolarHBondContact NH1-OD1 3.36Å; E261-N265 PolarHBondContact O-N 2.96Å; E261-N265 PolarHBondContact O-ND2 2.91Å; N262-N265 PolarHBondContact O-N 2.96Å; N265-A267 VanDerWaalsContact C-N 3.31Å; N265-A267 PolarHBondContact O-N 3.46Å; N265-I268 PolarHBondContact O-N 2.74Å; N265-E269 PolarHBondContact O-N 2.96Å; N265-E269 VanDerWaalsContact O-N 3.11Å
266Q91.7Very high87.9Confident53 Ų5358.3 Ų58.325%0.24832%0.32CS..Hα-helixtrans-62-40.9175.9-169.9-179.81800111.3I256 S257 N262 G263 I268 E269 L270I256-Q266 HydrophobicContact CG2-CB 4.35Å; I256-Q266 HydrophobicContact CG2-CG 4.3Å; S257-Q266 VanDerWaalsContact N-OE1 3.09Å; N262-Q266 PolarHBondContact O-N 3.02Å; G263-Q266 PolarHBondContact O-N 2.94Å; Q266-I268 VanDerWaalsContact C-N 3.32Å; Q266-I268 PolarHBondContact O-N 3.12Å; Q266-E269 PolarHBondContact O-N 2.77Å; Q266-L270 HydrophobicContact CG-CD1 4.03Å; Q266-L270 WeakPolarHBondContact O-CG 3.3Å; Q266-L270 PolarHBondContact O-N 3.02Å
267A92.4Very high87.2Confident0 Ų060.9 Ų60.90%033%0.334CS..Hα-helixtrans-63.3-38.617700000112.2F148 A227 I256 G263 F264 N265 S271F148-A267 HydrophobicContact CD1-CB 4.1Å; F148-A267 HydrophobicContact CE1-CB 4.16Å; A227-A267 HydrophobicContact CB-CB 3.52Å; I256-A267 HydrophobicContact CG2-CB 4.11Å; G263-A267 WeakPolarHBondContact O-CB 3.31Å; G263-A267 PolarHBondContact O-N 3.22Å; F264-A267 PolarHBondContact O-N 3.15Å; N265-A267 VanDerWaalsContact C-N 3.31Å; N265-A267 PolarHBondContact O-N 3.46Å; A267-S271 WeakPolarHBondContact O-CB 3.38Å; A267-S271 PolarHBondContact O-N 3.48Å; A267-S271 VanDerWaalsContact O-N 3.08Å; A267-S271 PolarHBondContact O-OG 3.38Å
268I89.8Confident86.6Confident33 Ų3357 Ų5717%0.16931%0.306CS..Hα-helixtrans-61.7-49.2175.8-69.8162.1000110.2F148 L161 R166 F264 N265 Q266 L270 S271 A272F148-I268 HydrophobicContact CE1-CG1 3.95Å; F148-I268 HydrophobicContact CE2-CG1 4.27Å; F148-I268 HydrophobicContact CZ-CB 4.47Å; F148-I268 HydrophobicContact CZ-CG1 3.79Å; L161-I268 HydrophobicContact CD1-CD1 3.99Å; L161-I268 HydrophobicContact CD1-CG1 4.32Å; L161-I268 HydrophobicContact CD1-CG2 4.23Å; L161-I268 HydrophobicContact CD2-CG1 4.25Å; L161-I268 HydrophobicContact CD2-CG2 3.77Å; R166-I268 HydrophobicContact CB-CD1 4.41Å; F264-I268 HydrophobicContact CD1-CD1 4.35Å; F264-I268 HydrophobicContact CD2-CD1 4.01Å; F264-I268 HydrophobicContact CD2-CG1 4.23Å; F264-I268 HydrophobicContact CE1-CD1 4.1Å; F264-I268 HydrophobicContact CE2-CD1 3.7Å; F264-I268 HydrophobicContact CE2-CG1 3.97Å; F264-I268 HydrophobicContact CG-CD1 4.32Å; F264-I268 HydrophobicContact CZ-CD1 3.77Å; F264-I268 HydrophobicContact CZ-CG1 4.49Å; F264-I268 VanDerWaalsContact O-CG1 3.31Å; F264-I268 WeakPolarHBondContact O-CG1 3.46Å; F264-I268 PolarHBondContact O-N 3.3Å; N265-I268 PolarHBondContact O-N 2.74Å; Q266-I268 VanDerWaalsContact C-N 3.32Å; Q266-I268 PolarHBondContact O-N 3.12Å; I268-L270 PolarHBondContact O-N 3.4Å; I268-S271 PolarHBondContact O-N 2.88Å; I268-A272 PolarHBondContact O-N 2.88Å
269E89.3Confident86.1Confident155 Ų15553.7 Ų53.772%0.72430%0.295SS*.Hα-helixtrans-61.2-47-179-170.7175.4-173.900112N265 Q266 S271 A272N265-E269 PolarHBondContact O-N 2.96Å; N265-E269 VanDerWaalsContact O-N 3.11Å; Q266-E269 PolarHBondContact O-N 2.77Å; E269-S271 PolarHBondContact O-N 3Å; E269-A272 WeakPolarHBondContact O-CB 3.21Å; E269-A272 PolarHBondContact O-N 2.89Å
270L90.8Very high85.8Confident79 Ų7956.2 Ų56.241%0.41430%0.3SS..Hα-helixtrans-70.3-16.9178.8-68.4173.5000114.2K252 V254 Q266 I268K252-L270 PolarHBondContact NZ-O 3.09Å; V254-L270 HydrophobicContact CG1-CB 3.78Å; V254-L270 HydrophobicContact CG1-CD1 3.63Å; V254-L270 HydrophobicContact CG1-CG 4.38Å; Q266-L270 HydrophobicContact CG-CD1 4.03Å; Q266-L270 WeakPolarHBondContact O-CG 3.3Å; Q266-L270 PolarHBondContact O-N 3.02Å; I268-L270 PolarHBondContact O-N 3.4Å
271S88.8Confident85.4Confident0 Ų059.6 Ų59.60%031%0.309CS..Hα-helixtrans-98.7-12.6179.3-55.50000113V225 V254 A267 I268 E269 E273 V274 L275V225-S271 WeakPolarHBondContact CG1-OG 3.36Å; V254-S271 WeakPolarHBondContact CG2-OG 3.25Å; A267-S271 WeakPolarHBondContact O-CB 3.38Å; A267-S271 PolarHBondContact O-N 3.48Å; A267-S271 VanDerWaalsContact O-N 3.08Å; A267-S271 PolarHBondContact O-OG 3.38Å; I268-S271 PolarHBondContact O-N 2.88Å; E269-S271 PolarHBondContact O-N 3Å; S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 PolarHBondContact O-N 3.13Å; S271-E273 VanDerWaalsContact O-N 3.15Å; S271-V274 PolarHBondContact O-N 3.42Å; S271-L275 WeakPolarHBondContact O-CG 3.46Å; S271-L275 PolarHBondContact O-N 3.12Å
272A84.3Confident85Confident54 Ų5459.7 Ų59.745%0.44631%0.31SS..Hα-helixtrans-50.7-44.9-172.300000113I268 E269 V274 L275 S276I268-A272 PolarHBondContact O-N 2.88Å; E269-A272 WeakPolarHBondContact O-CB 3.21Å; E269-A272 PolarHBondContact O-N 2.89Å; A272-V274 PolarHBondContact O-N 2.94Å; A272-L275 PolarHBondContact O-N 3.33Å; A272-S276 PolarHBondContact O-N 2.82Å; A272-S276 PolarHBondContact O-OG 3.27Å
273E85.3Confident84.6Confident137 Ų13755 Ų5564%0.6428%0.284SS*.Hα-helixtrans-62.4-41.3178.3-174.7-175-172.900113S271 S276 N277S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 PolarHBondContact O-N 3.13Å; S271-E273 VanDerWaalsContact O-N 3.15Å; E273-S276 PolarHBondContact O-OG 2.84Å; E273-N277 WeakPolarHBondContact O-CB 3.33Å; E273-N277 PolarHBondContact O-N 2.96Å; E273-N277 PolarHBondContact O-ND2 3.2Å; E273-N277 VanDerWaalsContact O-ND2 3.1Å
274V84.7Confident84.3Confident38 Ų3860.1 Ų60.123%0.2331%0.306CS..Hα-helixtrans-73.8-36.2-179.8176.10000110.5L251 K252 S271 A272 N277 V278L251-V274 HydrophobicContact CB-CG1 4.34Å; K252-V274 HydrophobicContact CD-CB 4.34Å; K252-V274 HydrophobicContact CD-CG2 3.78Å; S271-V274 PolarHBondContact O-N 3.42Å; A272-V274 PolarHBondContact O-N 2.94Å; V274-N277 PolarHBondContact O-N 3.19Å; V274-V278 WeakPolarHBondContact O-CG2 3.46Å; V274-V278 PolarHBondContact O-N 3.27Å
275L80.1Confident84.1Confident18 Ų1866.6 Ų66.69%0.09433%0.334CS..Hα-helixtrans-67.8-39.7178.3-63.4-177.9000112.2F146 F148 L161 V225 L251 S271 A272 N277 V278F146-L275 HydrophobicContact CB-CD2 4.18Å; F146-L275 HydrophobicContact CD1-CD2 3.51Å; F146-L275 HydrophobicContact CD2-CB 4.35Å; F146-L275 HydrophobicContact CD2-CD1 4.13Å; F146-L275 HydrophobicContact CD2-CD2 3.79Å; F146-L275 HydrophobicContact CD2-CG 4.3Å; F146-L275 HydrophobicContact CE1-CD2 3.72Å; F146-L275 HydrophobicContact CE2-CB 4.01Å; F146-L275 HydrophobicContact CE2-CD2 3.97Å; F146-L275 HydrophobicContact CE2-CG 4.4Å; F146-L275 HydrophobicContact CG-CD1 4.38Å; F146-L275 HydrophobicContact CG-CD2 3.55Å; F146-L275 HydrophobicContact CG-CG 4.47Å; F146-L275 HydrophobicContact CZ-CB 4.3Å; F146-L275 HydrophobicContact CZ-CD2 3.92Å; F148-L275 HydrophobicContact CE2-CD1 4.3Å; F148-L275 HydrophobicContact CZ-CD1 3.87Å; L161-L275 HydrophobicContact CD2-CD1 3.91Å; V225-L275 HydrophobicContact CG2-CD2 4.24Å; L251-L275 HydrophobicContact CD1-CD2 3.92Å; S271-L275 WeakPolarHBondContact O-CG 3.46Å; S271-L275 PolarHBondContact O-N 3.12Å; A272-L275 PolarHBondContact O-N 3.33Å; L275-N277 PolarHBondContact O-N 3.44Å; L275-V278 PolarHBondContact O-N 2.83Å
276S77.3Confident84Confident73 Ų7365.2 Ų65.251%0.5133%0.327SS..Hα-helixtrans-65-30.7173.959.90000112.2A272 E273A272-S276 PolarHBondContact O-N 2.82Å; A272-S276 PolarHBondContact O-OG 3.27Å; E273-S276 PolarHBondContact O-OG 2.84Å
277N78.4Confident84Confident63 Ų6362.8 Ų62.834%0.33732%0.316SS..Hα-helixtrans-80.7-9.2-178-70.2-16000114.9E273 V274 L275 K279 F280 I281E273-N277 WeakPolarHBondContact O-CB 3.33Å; E273-N277 PolarHBondContact O-N 2.96Å; E273-N277 PolarHBondContact O-ND2 3.2Å; E273-N277 VanDerWaalsContact O-ND2 3.1Å; V274-N277 PolarHBondContact O-N 3.19Å; L275-N277 PolarHBondContact O-N 3.44Å; N277-K279 VanDerWaalsContact C-N 3.34Å; N277-K279 PolarHBondContact O-N 2.89Å; N277-F280 PolarHBondContact O-N 2.83Å; N277-F280 VanDerWaalsContact O-N 3.17Å; N277-I281 HydrophobicContact CB-CD1 4.36Å; N277-I281 VanDerWaalsContact O-CG1 3.32Å; N277-I281 WeakPolarHBondContact O-CG1 3.06Å; N277-I281 PolarHBondContact O-N 3.48Å
278V76.6Confident83.9Confident8 Ų863.8 Ų63.85%0.04833%0.326CS..Hα-helixtrans-60.2-41.4-176.1177.70000112.4F146 L251 V274 L275 I281 Q282F146-V278 HydrophobicContact CE1-CB 4.41Å; F146-V278 HydrophobicContact CE1-CG1 4.44Å; F146-V278 HydrophobicContact CE1-CG2 3.85Å; F146-V278 HydrophobicContact CZ-CB 4.19Å; F146-V278 HydrophobicContact CZ-CG2 3.88Å; L251-V278 HydrophobicContact CD1-CG2 3.74Å; L251-V278 HydrophobicContact CD2-CG2 4.3Å; V274-V278 WeakPolarHBondContact O-CG2 3.46Å; V274-V278 PolarHBondContact O-N 3.27Å; L275-V278 PolarHBondContact O-N 2.83Å; V278-I281 PolarHBondContact O-N 3.34Å; V278-Q282 WeakPolarHBondContact O-CG 3.28Å; V278-Q282 PolarHBondContact O-N 2.84Å
279K74.9Confident84Confident92 Ų9266.8 Ų66.840%0.434%0.335SS..Hα-helixtrans-62.5-44.7177.5-66.1-170.9-177.1-178.30111.1D142 N277 I281 Q282 E283D142-K279 PolarHBondContact O-NZ 3.26Å; D142-K279 IonicContact OD2-NZ 3.91Å; N277-K279 VanDerWaalsContact C-N 3.34Å; N277-K279 PolarHBondContact O-N 2.89Å; K279-I281 VanDerWaalsContact C-N 3.33Å; K279-I281 PolarHBondContact O-N 3.09Å; K279-Q282 PolarHBondContact O-N 2.94Å; K279-E283 WeakPolarHBondContact O-CB 3.45Å; K279-E283 PolarHBondContact O-N 3Å
280F77.3Confident84.1Confident75 Ų7559.4 Ų59.433%0.32930%0.301SS..Hα-helixtrans-63.8-36.2177-64.5-63.2000113N277 K284 K401N277-F280 PolarHBondContact O-N 2.83Å; N277-F280 VanDerWaalsContact O-N 3.17Å; F280-K284 WeakPolarHBondContact O-CB 3.35Å; F280-K284 PolarHBondContact O-N 2.81Å; F280-K401 HydrophobicContact CD1-CB 4.41Å; F280-K401 HydrophobicContact CE1-CB 3.79Å; F280-K401 HydrophobicContact CE1-CD 3.61Å; F280-K401 HydrophobicContact CE1-CG 4.32Å; F280-K401 HydrophobicContact CZ-CD 3.79Å
281I79.9Confident84.1Confident101 Ų10157.2 Ų57.252%0.51829%0.288SS..Hα-helixtrans-69-40.8177.5-67.2165.2000111.1N277 V278 K279 K285N277-I281 HydrophobicContact CB-CD1 4.36Å; N277-I281 VanDerWaalsContact O-CG1 3.32Å; N277-I281 WeakPolarHBondContact O-CG1 3.06Å; N277-I281 PolarHBondContact O-N 3.48Å; V278-I281 PolarHBondContact O-N 3.34Å; K279-I281 VanDerWaalsContact C-N 3.33Å; K279-I281 PolarHBondContact O-N 3.09Å; I281-K285 WeakPolarHBondContact O-CB 3.42Å; I281-K285 PolarHBondContact O-N 3.28Å
282Q79.9Confident84.2Confident95 Ų9561.3 Ų61.344%0.44431%0.31SS..Hα-helixtrans-64.3-46.7175.9-72176.42.900111.1V278 K279 K284 K285 L286V278-Q282 WeakPolarHBondContact O-CG 3.28Å; V278-Q282 PolarHBondContact O-N 2.84Å; K279-Q282 PolarHBondContact O-N 2.94Å; Q282-K284 PolarHBondContact O-N 2.86Å; Q282-K285 PolarHBondContact O-N 2.67Å; Q282-L286 PolarHBondContact O-N 3.08Å
283E82.1Confident84.5Confident23 Ų2360.4 Ų60.411%0.10730%0.296CS..Hα-helixtrans-58.6-48.1176.3-172.9179.1141.900111.7K279 K285 L286 I287 V398 T399K279-E283 WeakPolarHBondContact O-CB 3.45Å; K279-E283 PolarHBondContact O-N 3Å; E283-K285 VanDerWaalsContact C-N 3.29Å; E283-K285 PolarHBondContact O-N 3Å; E283-L286 WeakPolarHBondContact O-CB 3.37Å; E283-L286 PolarHBondContact O-N 3.28Å; E283-I287 HydrophobicContact CG-CD1 4.22Å; E283-I287 WeakPolarHBondContact O-CG1 3.19Å; E283-I287 PolarHBondContact O-N 3.2Å; E283-V398 HydrophobicContact CG-CB 4.02Å; E283-V398 HydrophobicContact CG-CG1 3.97Å; E283-T399 WeakPolarHBondContact OE1-CA 3.42Å; E283-T399 PolarHBondContact OE1-N 2.99Å; E283-T399 PolarHBondContact OE1-OG1 3.36Å; E283-T399 PolarHBondContact OE2-OG1 3.05Å
284K84.5Confident84.7Confident108 Ų10855.8 Ų55.847%0.4728%0.276SS..Hα-helixtrans-57.7-42.2175.6-173.1-178.1-165.8-178.10112.1F280 Q282 G288 E404F280-K284 WeakPolarHBondContact O-CB 3.35Å; F280-K284 PolarHBondContact O-N 2.81Å; Q282-K284 PolarHBondContact O-N 2.86Å; K284-G288 PolarHBondContact O-N 3.04Å; K284-E404 WeakPolarHBondContact CE-OE1 3.49Å; K284-E404 VanDerWaalsContact CE-OE2 3.3Å; K284-E404 WeakPolarHBondContact CE-OE2 3.37Å; K284-E404 HydrophobicContact CG-CG 4.33Å; K284-E404 IonicContact NZ-OE1 3.7Å; K284-E404 PolarHBondContact NZ-OE1 2.91Å
285K87.9Confident85Confident138 Ų13858.7 Ų58.760%0.630%0.297SS*.Hα-helixtrans-67.8-38.7178.9-170.4-177179.8-173.70111.7I281 Q282 E283 G288 R289I281-K285 WeakPolarHBondContact O-CB 3.42Å; I281-K285 PolarHBondContact O-N 3.28Å; Q282-K285 PolarHBondContact O-N 2.67Å; E283-K285 VanDerWaalsContact C-N 3.29Å; E283-K285 PolarHBondContact O-N 3Å; K285-G288 PolarHBondContact O-N 2.66Å; K285-R289 PolarHBondContact O-N 3.34Å
286L88.9Confident85.4Confident27 Ų2764.2 Ų64.214%0.14132%0.323CS..Hα-helixtrans-64-50.6176.8176.865000111.1Q282 E283 G288 R289 Y290 I319 I321 E396 V398Q282-L286 PolarHBondContact O-N 3.08Å; E283-L286 WeakPolarHBondContact O-CB 3.37Å; E283-L286 PolarHBondContact O-N 3.28Å; L286-G288 VanDerWaalsContact C-N 3.3Å; L286-G288 PolarHBondContact O-N 3.49Å; L286-R289 WeakPolarHBondContact O-CB 3.46Å; L286-R289 PolarHBondContact O-N 3.11Å; L286-Y290 PolarHBondContact O-N 3.36Å; L286-Y290 VanDerWaalsContact O-N 3.08Å; L286-I319 HydrophobicContact CD1-CD1 4.23Å; L286-I319 HydrophobicContact CD1-CG2 4.16Å; L286-I321 HydrophobicContact CD1-CD1 4.23Å; L286-I321 HydrophobicContact CD2-CD1 4.39Å; L286-I321 HydrophobicContact CD2-CG1 4.31Å; L286-I321 HydrophobicContact CG-CD1 4.02Å; L286-I321 HydrophobicContact CG-CG1 4.45Å; L286-E396 HydrophobicContact CD2-CB 3.52Å; L286-E396 HydrophobicContact CD2-CG 3.73Å; L286-V398 HydrophobicContact CD2-CG1 4.25Å
287I90.9Very high85.7Confident1 Ų166.2 Ų66.21%0.00533%0.328CS..Hα-helixtrans-66.6-35.4178-59.6177.1000110.7E283 Y290 F291 V398 E404 F408E283-I287 HydrophobicContact CG-CD1 4.22Å; E283-I287 WeakPolarHBondContact O-CG1 3.19Å; E283-I287 PolarHBondContact O-N 3.2Å; I287-Y290 WeakPolarHBondContact O-CB 3.48Å; I287-Y290 PolarHBondContact O-N 3.4Å; I287-Y290 VanDerWaalsContact O-N 3.16Å; I287-F291 HydrophobicContact CG2-CD2 3.88Å; I287-F291 HydrophobicContact CG2-CE1 4.44Å; I287-F291 HydrophobicContact CG2-CE2 3.44Å; I287-F291 VanDerWaalsContact CG2-CE2 3.44Å; I287-F291 HydrophobicContact CG2-CZ 3.75Å; I287-F291 PolarHBondContact O-N 3.28Å; I287-V398 HydrophobicContact CD1-CB 4.25Å; I287-V398 HydrophobicContact CD1-CG1 4.32Å; I287-V398 HydrophobicContact CD1-CG2 4.44Å; I287-V398 HydrophobicContact CG1-CG1 4.39Å; I287-E404 HydrophobicContact CB-CB 4.25Å; I287-E404 HydrophobicContact CG2-CB 3.82Å; I287-F408 HydrophobicContact CG2-CB 4.27Å
288G89.9Confident86Confident21 Ų2165.1 Ų65.122%0.21632%0.324CS..Hα-helixtrans-57.5-47.7171.600000112.3K284 K285 L286 Y290 F291 D292K284-G288 PolarHBondContact O-N 3.04Å; K285-G288 PolarHBondContact O-N 2.66Å; L286-G288 VanDerWaalsContact C-N 3.3Å; L286-G288 PolarHBondContact O-N 3.49Å; G288-Y290 VanDerWaalsContact C-N 3.27Å; G288-Y290 PolarHBondContact O-N 3.36Å; G288-F291 PolarHBondContact O-N 3.05Å; G288-D292 VanDerWaalsContact O-CG 3.23Å; G288-D292 PolarHBondContact O-N 2.86Å
289R91.4Very high86.4Confident97 Ų9765.3 Ų65.337%0.36633%0.327SS..Hα-helixtrans-58.7-40.1174.3-177.7-178.6174.8-166.1-7.5111.6K285 L286 D292 E293 E318 I418K285-R289 PolarHBondContact O-N 3.34Å; L286-R289 WeakPolarHBondContact O-CB 3.46Å; L286-R289 PolarHBondContact O-N 3.11Å; R289-D292 PolarHBondContact O-N 3.33Å; R289-E293 PolarHBondContact O-N 2.97Å; R289-E318 IonicContact CZ-OE1 2.76Å; R289-E318 IonicContact NH1-OE1 3.36Å; R289-E318 IonicContact NH2-OE1 2.74Å; R289-E318 PolarHBondContact NH2-OE1 2.64Å; R289-E318 VanDerWaalsContact NH2-OE1 3.17Å; R289-E318 IonicContact NH2-OE2 3.97Å; R289-I418 HydrophobicContact CG-CD1 4.11Å
290Y92.2Very high87.1Confident0 Ų064.9 Ų64.90%033%0.325CS..Hα-helixtrans-62.9-45.7175.7172.1-98000112.1L286 I287 G288 D292 E293 I294 C302 F303 I321 F408 I418L286-Y290 PolarHBondContact O-N 3.36Å; L286-Y290 VanDerWaalsContact O-N 3.08Å; I287-Y290 WeakPolarHBondContact O-CB 3.48Å; I287-Y290 PolarHBondContact O-N 3.4Å; I287-Y290 VanDerWaalsContact O-N 3.16Å; G288-Y290 VanDerWaalsContact C-N 3.27Å; G288-Y290 PolarHBondContact O-N 3.36Å; Y290-D292 VanDerWaalsContact C-N 3.32Å; Y290-D292 PolarHBondContact O-N 3.46Å; Y290-E293 PolarHBondContact O-N 3.2Å; Y290-I294 HydrophobicContact CD1-CD1 4.25Å; Y290-I294 HydrophobicContact CE1-CD1 3.61Å; Y290-I294 PolarHBondContact O-N 3.1Å; Y290-C302 PolarHBondContact OH-O 2.99Å; Y290-F303 WeakPolarHBondContact OH-CB 3.16Å; Y290-I321 HydrophobicContact CD2-CD1 4.26Å; Y290-I321 HydrophobicContact CG-CD1 4.24Å; Y290-F408 HydrophobicContact CD1-CD2 4.11Å; Y290-F408 HydrophobicContact CD1-CE2 4.27Å; Y290-F408 AromaticContact CE1-CD2 3.8Å; Y290-F408 HydrophobicContact CE1-CD2 3.8Å; Y290-F408 AromaticContact CE1-CE2 3.86Å; Y290-F408 HydrophobicContact CE1-CE2 3.86Å; Y290-I418 HydrophobicContact CD2-CG1 4.06Å
291F90.9Very high87.8Confident32 Ų3263.8 Ų63.814%0.1432%0.319CS..Hα-helixtrans-68.6-28.1176.2-68.1-33.7000113.8I287 G288 I294 S295 E404 Q407 F408 F412I287-F291 HydrophobicContact CG2-CD2 3.88Å; I287-F291 HydrophobicContact CG2-CE1 4.44Å; I287-F291 HydrophobicContact CG2-CE2 3.44Å; I287-F291 VanDerWaalsContact CG2-CE2 3.44Å; I287-F291 HydrophobicContact CG2-CZ 3.75Å; I287-F291 PolarHBondContact O-N 3.28Å; G288-F291 PolarHBondContact O-N 3.05Å; F291-I294 HydrophobicContact CD1-CD1 4.24Å; F291-I294 PolarHBondContact O-N 3.23Å; F291-S295 WeakPolarHBondContact O-CB 3.25Å; F291-S295 PolarHBondContact O-N 3.47Å; F291-S295 PolarHBondContact O-OG 3.41Å; F291-E404 HydrophobicContact CE2-CB 4.04Å; F291-E404 HydrophobicContact CE2-CG 4.43Å; F291-Q407 HydrophobicContact CE2-CB 4.36Å; F291-Q407 HydrophobicContact CZ-CB 4.01Å; F291-F408 HydrophobicContact CZ-CB 4.29Å; F291-F412 HydrophobicContact CD1-CE2 4.22Å; F291-F412 AromaticContact CE1-CD2 3.93Å; F291-F412 HydrophobicContact CE1-CD2 3.93Å; F291-F412 AromaticContact CE1-CE2 3.47Å; F291-F412 HydrophobicContact CE1-CE2 3.47Å; F291-F412 VanDerWaalsContact CE1-CE2 3.47Å; F291-F412 HydrophobicContact CE1-CZ 4.31Å; F291-F412 HydrophobicContact CZ-CE2 4.33Å
292D91.9Very high88.3Confident86 Ų8659.1 Ų59.146%0.4630%0.295SS..Hα-helixtrans-64.1-40.9173.6-71.5-26.5000111.2G288 R289 Y290 I294 S295 Q296G288-D292 VanDerWaalsContact O-CG 3.23Å; G288-D292 PolarHBondContact O-N 2.86Å; R289-D292 PolarHBondContact O-N 3.33Å; Y290-D292 VanDerWaalsContact C-N 3.32Å; Y290-D292 PolarHBondContact O-N 3.46Å; D292-I294 VanDerWaalsContact C-N 3.31Å; D292-I294 PolarHBondContact O-N 3.08Å; D292-S295 PolarHBondContact O-N 3.2Å; D292-Q296 WeakPolarHBondContact O-CB 3.47Å; D292-Q296 VanDerWaalsContact O-CG 3.29Å; D292-Q296 WeakPolarHBondContact O-CG 3.47Å; D292-Q296 PolarHBondContact O-N 2.89Å
293E90.2Very high88.8Confident35 Ų3558.7 Ų58.716%0.16429%0.292CS..Hα-helixtrans-64.1-36.1176.4-63.7-65.8163.300112R289 Y290 D297 T298R289-E293 PolarHBondContact O-N 2.97Å; Y290-E293 PolarHBondContact O-N 3.2Å; E293-D297 PolarHBondContact O-N 3.15Å; E293-T298 PolarHBondContact O-N 3.07Å; E293-T298 PolarHBondContact O-OG1 2.82Å; E293-T298 WeakPolarHBondContact OE2-CB 3.26Å; E293-T298 WeakPolarHBondContact OE2-CG2 3.31Å; E293-T298 PolarHBondContact OE2-OG1 3.28Å
294I89.1Confident89.1Confident41 Ų4158.8 Ų58.821%0.2130%0.299CS..Hα-helixtrans-68.1-46.6173.5-59.4-178.6000110.6Y290 F291 D292 Q296 D297 Y301 F412Y290-I294 HydrophobicContact CD1-CD1 4.25Å; Y290-I294 HydrophobicContact CE1-CD1 3.61Å; Y290-I294 PolarHBondContact O-N 3.1Å; F291-I294 HydrophobicContact CD1-CD1 4.24Å; F291-I294 PolarHBondContact O-N 3.23Å; D292-I294 VanDerWaalsContact C-N 3.31Å; D292-I294 PolarHBondContact O-N 3.08Å; I294-Q296 VanDerWaalsContact C-N 3.29Å; I294-Q296 PolarHBondContact O-N 2.8Å; I294-D297 PolarHBondContact O-N 3.12Å; I294-Y301 HydrophobicContact CB-CE1 4.4Å; I294-Y301 HydrophobicContact CD1-CD2 4.02Å; I294-Y301 HydrophobicContact CD1-CE2 4.21Å; I294-Y301 HydrophobicContact CD1-CG 4.46Å; I294-Y301 HydrophobicContact CG1-CD1 3.87Å; I294-Y301 HydrophobicContact CG1-CD2 3.63Å; I294-Y301 HydrophobicContact CG1-CE1 4.08Å; I294-Y301 HydrophobicContact CG1-CE2 3.84Å; I294-Y301 HydrophobicContact CG1-CG 3.65Å; I294-F412 HydrophobicContact CD1-CD1 4.46Å; I294-F412 HydrophobicContact CD1-CE1 3.66Å; I294-F412 HydrophobicContact CD1-CE2 4.4Å; I294-F412 HydrophobicContact CD1-CZ 3.62Å
295S90.1Very high89.2Confident98 Ų9855.1 Ų55.169%0.68529%0.286SS*.Hα-helixtrans-68.1-29.8-175.2-57.80000112.8F291 D292F291-S295 WeakPolarHBondContact O-CB 3.25Å; F291-S295 PolarHBondContact O-N 3.47Å; F291-S295 PolarHBondContact O-OG 3.41Å; D292-S295 PolarHBondContact O-N 3.2Å
296Q88.9Confident89.1Confident135 Ų13554.8 Ų54.863%0.63129%0.286SS*.THydrogen-bonded Turntrans-89.9-1.8179.3-68.1177.433.600113.5D292 I294 T298D292-Q296 WeakPolarHBondContact O-CB 3.47Å; D292-Q296 VanDerWaalsContact O-CG 3.29Å; D292-Q296 WeakPolarHBondContact O-CG 3.47Å; D292-Q296 PolarHBondContact O-N 2.89Å; I294-Q296 VanDerWaalsContact C-N 3.29Å; I294-Q296 PolarHBondContact O-N 2.8Å; Q296-T298 HydrophobicContact CB-CG2 3.81Å; Q296-T298 PolarHBondContact O-N 3.41Å
297D84.1Confident89.1Confident115 Ų11555 Ų5562%0.61529%0.287SS*.THydrogen-bonded Turntrans49.941.1-178.9-162.820.6000113.1E293 I294 G299E293-D297 PolarHBondContact O-N 3.15Å; I294-D297 PolarHBondContact O-N 3.12Å; D297-G299 PolarHBondContact O-N 2.99Å
298T85Confident89.1Confident40 Ų4054.9 Ų54.925%0.24529%0.287CS..  trans-72.8-17.3179.563.40000112E293 Q296 K300E293-T298 PolarHBondContact O-N 3.07Å; E293-T298 PolarHBondContact O-OG1 2.82Å; E293-T298 WeakPolarHBondContact OE2-CB 3.26Å; E293-T298 WeakPolarHBondContact OE2-CG2 3.31Å; E293-T298 PolarHBondContact OE2-OG1 3.28Å; Q296-T298 HydrophobicContact CB-CG2 3.81Å; Q296-T298 PolarHBondContact O-N 3.41Å; T298-K300 PolarHBondContact O-N 3.31Å; T298-K300 PolarHBondContact OG1-N 3.04Å
299G84.1Confident89Confident12 Ų1254.4 Ų54.412%0.12428%0.279CS..SBendtrans67.516.9-172.500000113.8D297 R422D297-G299 PolarHBondContact O-N 2.99Å; G299-R422 WeakPolarHBondContact O-CA 3.1Å
300K89.8Confident88.9Confident83 Ų8352.7 Ų52.736%0.36128%0.275SS..  trans-99.438.1-178.7-63-176.6-176178.90113.2T298 L419T298-K300 PolarHBondContact O-N 3.31Å; T298-K300 PolarHBondContact OG1-N 3.04Å; K300-L419 HydrophobicContact CB-CB 4.48Å; K300-L419 PolarHBondContact O-N 3.29Å
301Y92.1Very high88.7Confident52 Ų5252.7 Ų52.720%0.20428%0.275CS..EExtended strand (participates in β ladder)trans-138.3154.1177.769.2-86.1000109.7I294 F303 G417I294-Y301 HydrophobicContact CB-CE1 4.4Å; I294-Y301 HydrophobicContact CD1-CD2 4.02Å; I294-Y301 HydrophobicContact CD1-CE2 4.21Å; I294-Y301 HydrophobicContact CD1-CG 4.46Å; I294-Y301 HydrophobicContact CG1-CD1 3.87Å; I294-Y301 HydrophobicContact CG1-CD2 3.63Å; I294-Y301 HydrophobicContact CG1-CE1 4.08Å; I294-Y301 HydrophobicContact CG1-CE2 3.84Å; I294-Y301 HydrophobicContact CG1-CG 3.65Å; Y301-F303 AromaticContact CD2-CD1 3.94Å; Y301-F303 HydrophobicContact CD2-CD1 3.94Å; Y301-F303 HydrophobicContact CD2-CE1 4.47Å; Y301-F303 AromaticContact CE2-CD1 3.65Å; Y301-F303 HydrophobicContact CE2-CD1 3.65Å; Y301-F303 AromaticContact CE2-CE1 3.74Å; Y301-F303 HydrophobicContact CE2-CE1 3.74Å; Y301-G417 CarbonylContact C-O 3.58Å; Y301-G417 WeakPolarHBondContact CA-O 3.42Å
302C90.3Very high88.6Confident2 Ų251.2 Ų51.21%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-133.4148.9168.164.80000108.9Y290 A311 G416 G417 L419 F425Y290-C302 PolarHBondContact OH-O 2.99Å; C302-A311 HydrophobicContact CB-CB 4.43Å; C302-G416 CarbonylContact O-C 3.6Å; C302-G416 WeakPolarHBondContact O-CA 3.43Å; C302-G417 PolarHBondContact N-O 2.96Å; C302-G417 PolarHBondContact O-N 3.45Å; C302-G417 VanDerWaalsContact SG-CA 3.57Å; C302-G417 PolarHBondContact SG-N 2.94Å; C302-G417 VanDerWaalsContact SG-N 3.38Å; C302-L419 HydrophobicContact CB-CD1 4.41Å; C302-L419 HydrophobicContact CB-CD2 4.24Å; C302-F425 HydrophobicContact CB-CE1 4.49Å; C302-F425 HydrophobicContact CB-CE2 3.96Å; C302-F425 HydrophobicContact CB-CZ 3.66Å
303F90.7Very high88.4Confident87 Ų8753.4 Ų53.438%0.38228%0.276SS..EExtended strand (participates in β ladder)trans-140.7158.517761.2-87.8000109.7Y290 Y301 F412Y290-F303 WeakPolarHBondContact OH-CB 3.16Å; Y301-F303 AromaticContact CD2-CD1 3.94Å; Y301-F303 HydrophobicContact CD2-CD1 3.94Å; Y301-F303 HydrophobicContact CD2-CE1 4.47Å; Y301-F303 AromaticContact CE2-CD1 3.65Å; Y301-F303 HydrophobicContact CE2-CD1 3.65Å; Y301-F303 AromaticContact CE2-CE1 3.74Å; Y301-F303 HydrophobicContact CE2-CE1 3.74Å; F303-F412 HydrophobicContact CB-CB 4.17Å; F303-F412 HydrophobicContact CB-CD1 3.8Å; F303-F412 HydrophobicContact CB-CG 4.44Å; F303-F412 HydrophobicContact CD1-CD1 4.37Å; F303-F412 HydrophobicContact CD2-CD1 4.26Å; F303-F412 AromaticContact CG-CD1 3.9Å; F303-F412 HydrophobicContact CG-CD1 3.9Å
304G88Confident88.2Confident24 Ų2455.4 Ų55.425%0.24729%0.286CS..SBendtrans78.2159.6-176.200000112.7T308 I415G304-T308 WeakPolarHBondContact O-CB 3.46Å; G304-T308 PolarHBondContact O-N 2.98Å; G304-T308 PolarHBondContact O-OG1 2.8Å; G304-I415 PolarHBondContact N-O 3.05Å
305V86.4Confident88.1Confident32 Ų3254.8 Ų54.819%0.19429%0.289CS..Hα-helixtrans-69.2-45.7-170.2177.40000111.1L309 T328 Y351 L380 I415V305-L309 HydrophobicContact CG1-CD1 3.61Å; V305-L309 HydrophobicContact CG1-CG 4.46Å; V305-L309 WeakPolarHBondContact O-CB 3.23Å; V305-L309 WeakPolarHBondContact O-CD1 3.47Å; V305-L309 WeakPolarHBondContact O-CG 3.49Å; V305-L309 PolarHBondContact O-N 2.78Å; V305-T328 HydrophobicContact CG2-CG2 4.3Å; V305-Y351 HydrophobicContact CG1-CD1 4.32Å; V305-Y351 HydrophobicContact CG1-CG 3.99Å; V305-L380 HydrophobicContact CG1-CD2 3.78Å; V305-L380 HydrophobicContact CG2-CD2 4.36Å; V305-I415 HydrophobicContact CG2-CG2 3.85Å
306E86.6Confident88Confident130 Ų13050.1 Ų50.161%0.60726%0.257SS*.Hα-helixtrans-65.7-54.1-174.5-63.1-179.6-173.600112.3T308 L309 K310E306-T308 VanDerWaalsContact C-N 3.32Å; E306-T308 PolarHBondContact O-N 2.9Å; E306-L309 PolarHBondContact O-N 2.98Å; E306-K310 WeakPolarHBondContact O-CG 3.38Å; E306-K310 PolarHBondContact O-N 2.87Å
307D88.9Confident88.1Confident31 Ų3143.7 Ų43.717%0.16623%0.227CC..Hα-helixtrans-63.4-39.1179.7-69.5-13000112L309 K310 A311 F425D307-L309 VanDerWaalsContact C-N 3.33Å; D307-L309 PolarHBondContact O-N 3.24Å; D307-K310 PolarHBondContact O-N 3.16Å; D307-A311 WeakPolarHBondContact O-CB 3.37Å; D307-A311 PolarHBondContact O-N 3.37Å; D307-F425 HydrophobicContact CB-CD1 3.83Å; D307-F425 HydrophobicContact CB-CE1 4Å; D307-F425 HydrophobicContact CB-CG 4.24Å; D307-F425 WeakPolarHBondContact O-CE1 3.49Å
308T89.7Confident88.4Confident0 Ų041.6 Ų41.60%021%0.213CC..Hα-helixtrans-66.5-37.3178.5-56.90000111.5G304 E306 L312 L320 I415G304-T308 WeakPolarHBondContact O-CB 3.46Å; G304-T308 PolarHBondContact O-N 2.98Å; G304-T308 PolarHBondContact O-OG1 2.8Å; E306-T308 VanDerWaalsContact C-N 3.32Å; E306-T308 PolarHBondContact O-N 2.9Å; T308-L312 VanDerWaalsContact O-CB 3.22Å; T308-L312 WeakPolarHBondContact O-CB 3.42Å; T308-L312 PolarHBondContact O-N 3.49Å; T308-L320 HydrophobicContact CG2-CD1 3.3Å; T308-I415 HydrophobicContact CG2-CD1 4.17Å; T308-I415 HydrophobicContact CG2-CG1 4.04Å
309L88.3Confident88.7Confident10 Ų1040.5 Ų40.55%0.05221%0.206CC..Hα-helixtrans-69.5-46.2175.5-74.7164.1000111.8V305 E306 D307 A311 L312 E313 Y351 W383 F384V305-L309 HydrophobicContact CG1-CD1 3.61Å; V305-L309 HydrophobicContact CG1-CG 4.46Å; V305-L309 WeakPolarHBondContact O-CB 3.23Å; V305-L309 WeakPolarHBondContact O-CD1 3.47Å; V305-L309 WeakPolarHBondContact O-CG 3.49Å; V305-L309 PolarHBondContact O-N 2.78Å; E306-L309 PolarHBondContact O-N 2.98Å; D307-L309 VanDerWaalsContact C-N 3.33Å; D307-L309 PolarHBondContact O-N 3.24Å; L309-A311 VanDerWaalsContact C-N 3.31Å; L309-A311 PolarHBondContact O-N 2.84Å; L309-L312 WeakPolarHBondContact O-CB 3.48Å; L309-L312 PolarHBondContact O-N 3.26Å; L309-L312 VanDerWaalsContact O-N 3.08Å; L309-E313 WeakPolarHBondContact O-CG 3.18Å; L309-E313 PolarHBondContact O-N 3.18Å; L309-Y351 HydrophobicContact CD1-CD1 3.89Å; L309-Y351 HydrophobicContact CD1-CD2 3.61Å; L309-Y351 HydrophobicContact CD1-CE1 3.55Å; L309-Y351 HydrophobicContact CD1-CE2 3.31Å; L309-Y351 HydrophobicContact CD1-CG 3.89Å; L309-Y351 HydrophobicContact CD2-CE1 4.23Å; L309-W383 HydrophobicContact CD2-CZ3 4.04Å; L309-F384 HydrophobicContact CD2-CE1 3.93Å; L309-F384 HydrophobicContact CD2-CZ 3.95Å
310K88.6Confident89.1Confident61 Ų6139.9 Ų39.927%0.26520%0.2SC..Hα-helixtrans-56.1-47.4174.1-73.4176.2-176.41690110.9E306 D307 L312 E313 M314E306-K310 WeakPolarHBondContact O-CG 3.38Å; E306-K310 PolarHBondContact O-N 2.87Å; D307-K310 PolarHBondContact O-N 3.16Å; K310-L312 VanDerWaalsContact C-N 3.28Å; K310-L312 PolarHBondContact O-N 3.34Å; K310-E313 PolarHBondContact O-N 2.59Å; K310-M314 HydrophobicContact CB-CE 4.09Å; K310-M314 VanDerWaalsContact O-CG 3.27Å; K310-M314 WeakPolarHBondContact O-CG 3.1Å; K310-M314 PolarHBondContact O-N 3.43Å
311A89.4Confident89.3Confident0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-62.2-36.1176.900000112.8C302 D307 L309 G315 A316 V317 L419 F425C302-A311 HydrophobicContact CB-CB 4.43Å; D307-A311 WeakPolarHBondContact O-CB 3.37Å; D307-A311 PolarHBondContact O-N 3.37Å; L309-A311 VanDerWaalsContact C-N 3.31Å; L309-A311 PolarHBondContact O-N 2.84Å; A311-G315 PolarHBondContact O-N 3.27Å; A311-A316 PolarHBondContact O-N 2.83Å; A311-V317 HydrophobicContact CB-CG2 3.75Å; A311-L419 HydrophobicContact CB-CD2 3.81Å; A311-F425 HydrophobicContact CB-CE1 3.92Å; A311-F425 HydrophobicContact CB-CZ 3.89Å
312L88.8Confident89.3Confident2 Ų233.5 Ų33.51%0.0117%0.173CC..Hα-helixtrans-70.4-41.9178.2-171.268.1000111.4T308 L309 K310 M314 G315 V317 W383 F384 F391 A393T308-L312 VanDerWaalsContact O-CB 3.22Å; T308-L312 WeakPolarHBondContact O-CB 3.42Å; T308-L312 PolarHBondContact O-N 3.49Å; L309-L312 WeakPolarHBondContact O-CB 3.48Å; L309-L312 PolarHBondContact O-N 3.26Å; L309-L312 VanDerWaalsContact O-N 3.08Å; K310-L312 VanDerWaalsContact C-N 3.28Å; K310-L312 PolarHBondContact O-N 3.34Å; L312-M314 VanDerWaalsContact C-N 3.31Å; L312-M314 PolarHBondContact O-N 2.9Å; L312-G315 PolarHBondContact O-N 3.07Å; L312-V317 HydrophobicContact CB-CG2 4.41Å; L312-V317 HydrophobicContact CD1-CB 4.35Å; L312-V317 HydrophobicContact CD1-CG2 4.42Å; L312-W383 HydrophobicContact CD2-CZ3 4.11Å; L312-F384 HydrophobicContact CD2-CD1 3.89Å; L312-F384 HydrophobicContact CD2-CE1 3.59Å; L312-F391 HydrophobicContact CD1-CB 3.6Å; L312-F391 HydrophobicContact CD1-CD2 4.22Å; L312-F391 HydrophobicContact CD1-CG 3.93Å; L312-F391 HydrophobicContact CD2-CD2 3.87Å; L312-F391 HydrophobicContact CD2-CE2 4.11Å; L312-F391 HydrophobicContact CD2-CG 4.23Å; L312-F391 HydrophobicContact CG-CB 3.93Å; L312-F391 HydrophobicContact CG-CD1 4.07Å; L312-F391 HydrophobicContact CG-CD2 3.86Å; L312-F391 HydrophobicContact CG-CE2 4.38Å; L312-F391 HydrophobicContact CG-CG 3.69Å; L312-F391 VanDerWaalsContact O-CD1 3.24Å; L312-F391 WeakPolarHBondContact O-CD1 3.41Å; L312-A393 HydrophobicContact CD1-CB 3.89Å
313E87.1Confident89.3Confident132 Ų13234.5 Ų34.562%0.61718%0.177SC*.Hα-helixtrans-63.5-36.7175.5-73.3179.5178.900112.2L309 K310 G315L309-E313 WeakPolarHBondContact O-CG 3.18Å; L309-E313 PolarHBondContact O-N 3.18Å; K310-E313 PolarHBondContact O-N 2.59Å; E313-G315 PolarHBondContact O-N 2.94Å
314M86.3Confident89.1Confident77 Ų7733.2 Ų33.238%0.37917%0.172SC..THydrogen-bonded Turntrans-72.7-8.1172.7-66165.5-159.500113.5K310 L312 A316 V423 M428K310-M314 HydrophobicContact CB-CE 4.09Å; K310-M314 VanDerWaalsContact O-CG 3.27Å; K310-M314 WeakPolarHBondContact O-CG 3.1Å; K310-M314 PolarHBondContact O-N 3.43Å; L312-M314 VanDerWaalsContact C-N 3.31Å; L312-M314 PolarHBondContact O-N 2.9Å; M314-A316 HydrophobicContact CB-CB 4.46Å; M314-A316 PolarHBondContact O-N 2.85Å; M314-V423 HydrophobicContact SD-CG1 4.27Å; M314-M428 HydrophobicContact CE-CE 3.43Å; M314-M428 VanDerWaalsContact CE-CE 3.43Å; M314-M428 HydrophobicContact CE-SD 3.17Å; M314-M428 WeakPolarHBondContact CE-SD 3.48Å; M314-M428 HydrophobicContact SD-CE 3.67Å; M314-M428 HydrophobicContact SD-SD 4.04Å
315G86.4Confident89Confident27 Ų2735.8 Ų35.828%0.27818%0.18SC..THydrogen-bonded Turntrans65.123.1-175.400000113.6A311 L312 E313A311-G315 PolarHBondContact O-N 3.27Å; L312-G315 PolarHBondContact O-N 3.07Å; E313-G315 PolarHBondContact O-N 2.94Å
316A88.3Confident88.9Confident0 Ų035.2 Ų35.20%018%0.176CC..  trans-80.4-21.4-177.500000112.9A311 M314 L419 R420 Y421 V423A311-A316 PolarHBondContact O-N 2.83Å; M314-A316 HydrophobicContact CB-CB 4.46Å; M314-A316 PolarHBondContact O-N 2.85Å; A316-L419 HydrophobicContact CB-CD2 4.32Å; A316-L419 CarbonylContact O-C 3.59Å; A316-L419 WeakPolarHBondContact O-CA 3.37Å; A316-R420 PolarHBondContact O-N 3.29Å; A316-Y421 HydrophobicContact CB-CE1 3.99Å; A316-Y421 HydrophobicContact CB-CE2 4.06Å; A316-V423 HydrophobicContact CB-CG2 3.72Å
317V91.2Very high88.6Confident1 Ų134.6 Ų34.61%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-74.1125.8-175.2-1760000111.3A311 L312 L320 A393 L419A311-V317 HydrophobicContact CB-CG2 3.75Å; L312-V317 HydrophobicContact CB-CG2 4.41Å; L312-V317 HydrophobicContact CD1-CB 4.35Å; L312-V317 HydrophobicContact CD1-CG2 4.42Å; V317-L320 HydrophobicContact CG1-CB 4.05Å; V317-A393 HydrophobicContact CB-CB 4.23Å; V317-A393 HydrophobicContact CG1-CB 4.11Å; V317-L419 HydrophobicContact CB-CD2 4.45Å; V317-L419 HydrophobicContact CG2-CD2 3.79Å
318E90.7Very high88.4Confident70 Ų7033.8 Ų33.833%0.32717%0.173SC..EExtended strand (participates in β ladder)trans-81.8-59.6167.6-171.1-175.6137.200109.4R289 T394 I418 R420R289-E318 IonicContact CZ-OE1 2.76Å; R289-E318 IonicContact NH1-OE1 3.36Å; R289-E318 IonicContact NH2-OE1 2.74Å; R289-E318 PolarHBondContact NH2-OE1 2.64Å; R289-E318 VanDerWaalsContact NH2-OE1 3.17Å; R289-E318 IonicContact NH2-OE2 3.97Å; E318-T394 PolarHBondContact O-N 2.9Å; E318-T394 PolarHBondContact O-OG1 2.89Å; E318-T394 VanDerWaalsContact O-OG1 3.11Å; E318-I418 WeakPolarHBondContact CA-O 3.36Å; E318-I418 WeakPolarHBondContact CB-O 3.4Å; E318-I418 PolarHBondContact N-O 3.13Å; E318-R420 HydrophobicContact CB-CG 3.71Å; E318-R420 HydrophobicContact CG-CG 4.37Å
319I91.7Very high88.1Confident17 Ų1737.2 Ų37.29%0.08719%0.19CC..EExtended strand (participates in β ladder)trans-124.3117.5-176.5-47.8-179.6000108.6L286 I321 T394 E396 G417 I418L286-I319 HydrophobicContact CD1-CD1 4.23Å; L286-I319 HydrophobicContact CD1-CG2 4.16Å; I319-I321 HydrophobicContact CG2-CG1 4.21Å; I319-T394 CarbonylContact C-O 3.53Å; I319-T394 WeakPolarHBondContact CA-O 3.48Å; I319-T394 WeakPolarHBondContact CA-OG1 3.46Å; I319-T394 WeakPolarHBondContact CG1-OG1 3.2Å; I319-E396 HydrophobicContact CG2-CB 4.28Å; I319-E396 HydrophobicContact CG2-CG 3.89Å; I319-G417 CarbonylContact O-C 3.57Å; I319-G417 WeakPolarHBondContact O-CA 3.45Å; I319-I418 HydrophobicContact CB-CB 4.4Å; I319-I418 HydrophobicContact CD1-CD1 4.43Å; I319-I418 PolarHBondContact N-O 2.93Å; I319-I418 PolarHBondContact O-N 3.3Å
320L92.4Very high87.9Confident0 Ų038.2 Ų38.20%019%0.193CC..EExtended strand (participates in β ladder)trans-91118.5173.6-179.564.6000108.5T308 V317 V322 F384 T394 L395 E396T308-L320 HydrophobicContact CG2-CD1 3.3Å; V317-L320 HydrophobicContact CG1-CB 4.05Å; L320-V322 HydrophobicContact CD1-CG2 4.29Å; L320-V322 HydrophobicContact CD2-CG2 4.2Å; L320-V322 HydrophobicContact CG-CG2 3.81Å; L320-F384 HydrophobicContact CD2-CB 4.26Å; L320-F384 HydrophobicContact CD2-CD1 3.56Å; L320-F384 HydrophobicContact CD2-CD2 4.36Å; L320-F384 HydrophobicContact CD2-CE1 3.93Å; L320-F384 HydrophobicContact CD2-CG 3.82Å; L320-F384 HydrophobicContact CD2-CZ 4.46Å; L320-T394 PolarHBondContact N-O 2.94Å; L320-L395 HydrophobicContact CB-CD1 4.43Å; L320-L395 HydrophobicContact CD2-CD1 3.95Å; L320-L395 HydrophobicContact CG-CD1 4.1Å; L320-E396 PolarHBondContact O-N 3.15Å
321I92.7Very high87.6Confident0 Ų035.8 Ų35.80%018%0.182CC..EExtended strand (participates in β ladder)trans-106.1118.8-178.2-54.9176.4000108L286 Y290 I319 E396 V398 F408 G416 I418L286-I321 HydrophobicContact CD1-CD1 4.23Å; L286-I321 HydrophobicContact CD2-CD1 4.39Å; L286-I321 HydrophobicContact CD2-CG1 4.31Å; L286-I321 HydrophobicContact CG-CD1 4.02Å; L286-I321 HydrophobicContact CG-CG1 4.45Å; Y290-I321 HydrophobicContact CD2-CD1 4.26Å; Y290-I321 HydrophobicContact CG-CD1 4.24Å; I319-I321 HydrophobicContact CG2-CG1 4.21Å; I321-E396 WeakPolarHBondContact CA-O 3.38Å; I321-V398 HydrophobicContact CG2-CB 4.43Å; I321-V398 HydrophobicContact CG2-CG1 3.7Å; I321-V398 HydrophobicContact CG2-CG2 3.81Å; I321-F408 HydrophobicContact CB-CZ 4.05Å; I321-F408 HydrophobicContact CG2-CE1 3.88Å; I321-F408 HydrophobicContact CG2-CE2 4.32Å; I321-F408 HydrophobicContact CG2-CZ 3.7Å; I321-G416 PolarHBondContact N-O 2.94Å; I321-G416 PolarHBondContact O-N 3.38Å; I321-I418 HydrophobicContact CD1-CD1 4.3Å; I321-I418 HydrophobicContact CD1-CG1 4.36Å
322V92.3Very high87.1Confident0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans-131.6136-178.1-164.80000110.8L320 L326 L381 F384 L395 E396 I397 V398L320-V322 HydrophobicContact CD1-CG2 4.29Å; L320-V322 HydrophobicContact CD2-CG2 4.2Å; L320-V322 HydrophobicContact CG-CG2 3.81Å; V322-L326 HydrophobicContact CG1-CB 4.31Å; V322-L326 HydrophobicContact CG1-CD2 4Å; V322-L381 HydrophobicContact CB-CD1 3.86Å; V322-L381 HydrophobicContact CG1-CD1 3.65Å; V322-F384 HydrophobicContact CG2-CD2 4.11Å; V322-F384 HydrophobicContact CG2-CE2 4.45Å; V322-L395 HydrophobicContact CB-CD1 4.3Å; V322-L395 HydrophobicContact CG2-CD1 3.63Å; V322-E396 PolarHBondContact N-O 3.48Å; V322-I397 WeakPolarHBondContact O-CA 3.4Å; V322-V398 PolarHBondContact O-N 3.4Å
323Y91.1Very high86.6Confident23 Ų2336 Ų369%0.0918%0.184CC..EExtended strand (participates in β ladder)trans-71.3138.7175.6177.1-126.9000112.1N325 L326 V398 D400 V409 G414Y323-N325 VanDerWaalsContact C-N 3.27Å; Y323-N325 VanDerWaalsContact CD1-C 3.46Å; Y323-N325 HydrophobicContact CD1-CB 4.21Å; Y323-N325 WeakPolarHBondContact CD1-O 2.88Å; Y323-N325 HydrophobicContact CE1-CB 3.51Å; Y323-N325 WeakPolarHBondContact CE1-O 3.25Å; Y323-N325 PolarHBondContact O-N 2.91Å; Y323-N325 PolarHBondContact OH-ND2 3.36Å; Y323-N325 VanDerWaalsContact OH-ND2 3.08Å; Y323-L326 WeakPolarHBondContact O-CB 3.17Å; Y323-L326 PolarHBondContact O-N 3.26Å; Y323-V398 WeakPolarHBondContact CD2-O 3.38Å; Y323-D400 HydrophobicContact CE2-CB 3.8Å; Y323-D400 VanDerWaalsContact OH-CG 3.28Å; Y323-D400 PolarHBondContact OH-OD1 3.35Å; Y323-D400 VanDerWaalsContact OH-OD1 3.05Å; Y323-V409 HydrophobicContact CD1-CG1 4.2Å; Y323-V409 HydrophobicContact CD1-CG2 3.93Å; Y323-V409 HydrophobicContact CD2-CG2 3.59Å; Y323-V409 HydrophobicContact CE1-CG1 4.25Å; Y323-V409 HydrophobicContact CE1-CG2 4.3Å; Y323-V409 HydrophobicContact CE2-CG2 4.03Å; Y323-V409 HydrophobicContact CG-CG2 3.56Å; Y323-G414 VanDerWaalsContact CB-O 3.29Å; Y323-G414 WeakPolarHBondContact CB-O 3.31Å; Y323-G414 PolarHBondContact N-O 3.33Å
324E85.6Confident85.9Confident61 Ų6135.1 Ų35.129%0.28518%0.175SC..THydrogen-bonded Turntrans-61.2-30.6-175.865.6170.7-176.200114.7L381 I397 V398 T399E324-L381 WeakPolarHBondContact O-CD2 3.49Å; E324-I397 HydrophobicContact CB-CG2 3.77Å; E324-V398 PolarHBondContact N-O 3.08Å; E324-T399 HydrophobicContact CG-CG2 4.3Å
325N85.8Confident85Confident77 Ų7733.6 Ų33.641%0.41217%0.169SC..THydrogen-bonded Turntrans-110.646.8178-50.5-55.7000110.3Y323 D327Y323-N325 VanDerWaalsContact C-N 3.27Å; Y323-N325 VanDerWaalsContact CD1-C 3.46Å; Y323-N325 HydrophobicContact CD1-CB 4.21Å; Y323-N325 WeakPolarHBondContact CD1-O 2.88Å; Y323-N325 HydrophobicContact CE1-CB 3.51Å; Y323-N325 WeakPolarHBondContact CE1-O 3.25Å; Y323-N325 PolarHBondContact O-N 2.91Å; Y323-N325 PolarHBondContact OH-ND2 3.36Å; Y323-N325 VanDerWaalsContact OH-ND2 3.08Å; N325-D327 PolarHBondContact O-N 3.05Å
326L84.9Confident83.4Confident20 Ų2036.7 Ų36.711%0.10518%0.176CC..  trans-66.5111.9173.1-169.884.4000110.1V322 Y323 T328 L380 I415V322-L326 HydrophobicContact CG1-CB 4.31Å; V322-L326 HydrophobicContact CG1-CD2 4Å; Y323-L326 WeakPolarHBondContact O-CB 3.17Å; Y323-L326 PolarHBondContact O-N 3.26Å; L326-T328 PolarHBondContact O-N 3.42Å; L326-T328 VanDerWaalsContact O-N 3.08Å; L326-L380 HydrophobicContact CD2-CB 4.2Å; L326-L380 HydrophobicContact CD2-CD2 3.98Å; L326-L380 HydrophobicContact CD2-CG 4.26Å; L326-I415 HydrophobicContact CD1-CB 4.24Å
327D81.4Confident81.5Confident117 Ų11739.4 Ų39.463%0.62620%0.204SC*.  trans-85.860.5177-68.3-31.1000110.6N325 P354N325-D327 PolarHBondContact O-N 3.05Å; D327-P354 HydrophobicContact CB-CG 3.93Å; D327-P354 WeakPolarHBondContact O-CD 3.4Å
328T84.1Confident79.2Confident14 Ų1442.4 Ų42.49%0.08623%0.229CC..  trans-129.8126.6173.6-48.60000109.3V305 L326 L380V305-T328 HydrophobicContact CG2-CG2 4.3Å; L326-T328 PolarHBondContact O-N 3.42Å; L326-T328 VanDerWaalsContact O-N 3.08Å; T328-L380 HydrophobicContact CG2-CB 4.37Å; T328-L380 HydrophobicContact CG2-CD2 3.8Å; T328-L380 VanDerWaalsContact O-CB 3.24Å; T328-L380 WeakPolarHBondContact O-CB 3.45Å; T328-L380 PolarHBondContact O-N 3.33Å
329M83.1Confident77Confident72 Ų7248.6 Ų48.636%0.35526%0.258SS..EExtended strand (participates in β ladder)trans-102.5138177.1-68.6-65.8-176.800109.7Y331 Y351 L352 P379M329-Y331 HydrophobicContact CB-CD2 4.23Å; M329-Y331 HydrophobicContact CB-CE2 3.43Å; M329-Y331 VanDerWaalsContact CB-CE2 3.43Å; M329-Y331 HydrophobicContact CG-CE2 4.5Å; M329-Y351 WeakPolarHBondContact O-CA 3.25Å; M329-L352 PolarHBondContact N-O 3.35Å; M329-L352 PolarHBondContact O-N 3.18Å; M329-P379 HydrophobicContact CE-CG 4.17Å; M329-P379 HydrophobicContact SD-CB 4.06Å; M329-P379 HydrophobicContact SD-CG 3.78Å
330R84.8Confident74.7Confident31 Ų3152.3 Ų52.312%0.11729%0.286CS..EExtended strand (participates in β ladder)trans-97.5119.3170.8-179.6-179.9-179.9-105.40.2108.2I349 L350 Y351 M378 L380 W383R330-I349 HydrophobicContact CG-CG2 3.87Å; R330-L350 CarbonylContact C-O 3.58Å; R330-L350 WeakPolarHBondContact CA-O 3.25Å; R330-Y351 HydrophobicContact CB-CD1 4.03Å; R330-Y351 HydrophobicContact CB-CE1 4.01Å; R330-Y351 HydrophobicContact CG-CD1 4.06Å; R330-Y351 HydrophobicContact CG-CE1 3.62Å; R330-M378 WeakPolarHBondContact CA-O 3.5Å; R330-M378 WeakPolarHBondContact CB-O 3.41Å; R330-M378 PolarHBondContact N-O 2.97Å; R330-M378 PolarHBondContact O-N 2.88Å; R330-L380 HydrophobicContact CB-CD1 4.47Å; R330-W383 VanDerWaalsContact CZ-NE1 3.28Å; R330-W383 VanDerWaalsContact NH1-NE1 3.15Å
331Y80.8Confident72.1Confident11 Ų1159.5 Ų59.54%0.04332%0.324CS..EExtended strand (participates in β ladder)trans-108.8132.3174.1-59.7-82.5000109.4M329 I349 L350 L352 E357 F363 L374 E376M329-Y331 HydrophobicContact CB-CD2 4.23Å; M329-Y331 HydrophobicContact CB-CE2 3.43Å; M329-Y331 VanDerWaalsContact CB-CE2 3.43Å; M329-Y331 HydrophobicContact CG-CE2 4.5Å; Y331-I349 CarbonylContact O-C 3.59Å; Y331-I349 WeakPolarHBondContact O-CA 3.35Å; Y331-L350 PolarHBondContact N-O 3.02Å; Y331-L350 PolarHBondContact O-N 2.81Å; Y331-L352 HydrophobicContact CD2-CB 4.29Å; Y331-L352 HydrophobicContact CD2-CD1 3.79Å; Y331-L352 HydrophobicContact CD2-CG 4.16Å; Y331-L352 HydrophobicContact CE2-CB 3.98Å; Y331-L352 HydrophobicContact CE2-CD1 3.9Å; Y331-L352 HydrophobicContact CE2-CG 4.28Å; Y331-E357 PolarHBondContact OH-OE1 3.42Å; Y331-F363 HydrophobicContact CD1-CE1 4.4Å; Y331-F363 HydrophobicContact CE2-CZ 4.45Å; Y331-F363 HydrophobicContact CG-CE1 4.4Å; Y331-L374 HydrophobicContact CD1-CD1 3.47Å; Y331-L374 VanDerWaalsContact CD1-CD1 3.47Å; Y331-L374 HydrophobicContact CE1-CD1 4.25Å; Y331-L374 HydrophobicContact CG-CD1 4.27Å; Y331-E376 WeakPolarHBondContact CA-O 3.42Å
332V80.2Confident69.5Low7 Ų764.1 Ų64.14%0.04237%0.371CS..EExtended strand (participates in β ladder)trans-105.2114.9168.7-172.60000106.8E347 I349 I375 E376V332-E347 HydrophobicContact CG1-CB 4.22Å; V332-E347 HydrophobicContact CG1-CG 4.46Å; V332-I349 HydrophobicContact CG2-CG1 4.48Å; V332-I375 HydrophobicContact CG1-CD1 4.28Å; V332-I375 WeakPolarHBondContact O-CB 3.34Å; V332-I375 PolarHBondContact O-N 3.09Å; V332-E376 HydrophobicContact CB-CB 4.39Å; V332-E376 HydrophobicContact CG2-CB 4.48Å; V332-E376 PolarHBondContact N-O 2.81Å; V332-E376 PolarHBondContact O-N 3.02Å
333L77.7Confident66.9Low0 Ų067.3 Ų67.30%040%0.398CS..EExtended strand (participates in β ladder)trans-109.2138-177.1-64.7178.6000109.9K348 L350 F363 H372 E373 L374L333-K348 PolarHBondContact N-O 3.24Å; L333-K348 PolarHBondContact O-N 2.96Å; L333-L350 HydrophobicContact CD1-CD1 3.46Å; L333-L350 VanDerWaalsContact CD1-CD1 3.46Å; L333-L350 HydrophobicContact CD1-CG 4.12Å; L333-F363 HydrophobicContact CD1-CD1 4.32Å; L333-F363 HydrophobicContact CD2-CD1 4.19Å; L333-F363 HydrophobicContact CD2-CE1 4.44Å; L333-H372 HydrophobicContact CB-CB 3.95Å; L333-H372 HydrophobicContact CD1-CB 4.01Å; L333-H372 HydrophobicContact CD2-CB 4.26Å; L333-H372 HydrophobicContact CG-CB 4.3Å; L333-E373 CarbonylContact C-O 3.58Å; L333-E373 WeakPolarHBondContact CA-O 3.42Å; L333-L374 HydrophobicContact CD2-CB 4.39Å; L333-L374 HydrophobicContact CD2-CD1 3.77Å
334R73Confident64.7Low113 Ų11375.2 Ų75.243%0.42644%0.436SS..EExtended strand (participates in β ladder)trans-87.8124.7166.6-150.4176.9-160175.15.8109.6N345 E373 I375R334-N345 PolarHBondContact NH2-OD1 3.29Å; R334-E373 HydrophobicContact CB-CB 4.21Å; R334-E373 PolarHBondContact N-O 3.35Å; R334-E373 PolarHBondContact O-N 2.97Å; R334-I375 HydrophobicContact CB-CD1 3.83Å; R334-I375 HydrophobicContact CB-CG1 4.07Å; R334-I375 HydrophobicContact CG-CD1 4.26Å
335V66.3Low62.9Low44 Ų4477.1 Ų77.127%0.26745%0.447SS..  trans-82.6122.7173-176.30000109.3K348V335-K348 HydrophobicContact CG2-CB 3.9Å; V335-K348 HydrophobicContact CG2-CD 4.47Å
336H54.1Low61.5Low93 Ų9377.8 Ų77.843%0.43145%0.451SS..  trans-94.7100.8165-79.8-62.5000107.9E373H336-E373 IonicContact NE2-OE2 3.95Å
337G47.4Very low60.7Low56 Ų5682.1 Ų82.158%0.57747%0.471SS*.  trans169.2-8.7178.900000120.1E339G337-E339 PolarHBondContact O-N 3.46Å
338A42.3Very low60.3Low65 Ų6581.3 Ų81.354%0.53746%0.462SS..  trans-101.266.1179.400000112.8S340A338-S340 PolarHBondContact O-N 3.24Å
339E45.2Very low60.1Low200 Ų20083.7 Ų83.794%0.93547%0.473SS*.  trans-77.366.4155.5-75.6-168.1177.600109.6G337G337-E339 PolarHBondContact O-N 3.46Å
340S43.8Very low59.9Low95 Ų9581.6 Ų81.666%0.66446%0.464SS*.SBendtrans-175.483.3153.547.90000110.4A338A338-S340 PolarHBondContact O-N 3.24Å
341N38.1Very low59.8Low151 Ų15182.7 Ų82.781%0.80747%0.468SS*.SBendtrans142.271.1147.5-72.9-18.1000111.5A343N341-A343 PolarHBondContact O-N 3.02Å
342G37.4Very low59.8Low96 Ų9682.5 Ų82.599%0.9947%0.468SS*.  trans48.221.5137.400000120.8
343A38.3Very low59.8Low67 Ų6784.5 Ų84.555%0.55448%0.48SS*.  trans-110.4113.3172.900000108.8N341 N345N341-A343 PolarHBondContact O-N 3.02Å; A343-N345 PolarHBondContact O-N 2.88Å
344E45.2Very low59.6Low190 Ų19087.2 Ų87.289%0.88850%0.498SS*.SBendtrans-67.6116.4174.8-74.4-179.9140.300109.9
345N46.4Very low59.5Low100 Ų10089.2 Ų89.254%0.53551%0.512SS..  trans80.377.7172.1-55-53.2000117.2R334 A343 E347R334-N345 PolarHBondContact NH2-OD1 3.29Å; A343-N345 PolarHBondContact O-N 2.88Å; N345-E347 VanDerWaalsContact C-N 3.29Å; N345-E347 HydrophobicContact CB-CG 4.45Å; N345-E347 PolarHBondContact O-N 3.45Å
346D56Low59.5Low92 Ų9290.9 Ų90.949%0.49252%0.516SS..  trans-75.782.6159.7-69.3-26.6000110.2
347E69.1Low59.8Low110 Ų11090.7 Ų90.751%0.51452%0.516SS..EExtended strand (participates in β ladder)trans-81.4122.1168.3-66.8-179.9179.800109.5V332 N345 I375V332-E347 HydrophobicContact CG1-CB 4.22Å; V332-E347 HydrophobicContact CG1-CG 4.46Å; N345-E347 VanDerWaalsContact C-N 3.29Å; N345-E347 HydrophobicContact CB-CG 4.45Å; N345-E347 PolarHBondContact O-N 3.45Å; E347-I375 HydrophobicContact CG-CD1 4.46Å
348K73.6Confident60.6Low100 Ų10096.1 Ų96.144%0.43552%0.524SS..EExtended strand (participates in β ladder)trans-97.8118.5174.3-169.4173.3-174.2175.10109.5L333 V335 L350L333-K348 PolarHBondContact N-O 3.24Å; L333-K348 PolarHBondContact O-N 2.96Å; V335-K348 HydrophobicContact CG2-CB 3.9Å; V335-K348 HydrophobicContact CG2-CD 4.47Å; K348-L350 HydrophobicContact CG-CD2 4.44Å
349I79.8Confident61.7Low64 Ų6497.2 Ų97.233%0.32852%0.52SS..EExtended strand (participates in β ladder)trans-95.1123.9176.9-55.5166.1000108.4R330 Y331 V332 Y351R330-I349 HydrophobicContact CG-CG2 3.87Å; Y331-I349 CarbonylContact O-C 3.59Å; Y331-I349 WeakPolarHBondContact O-CA 3.35Å; V332-I349 HydrophobicContact CG2-CG1 4.48Å; I349-Y351 HydrophobicContact CG2-CE1 4.15Å; I349-Y351 HydrophobicContact CG2-CE2 3.7Å
350L78.4Confident62.4Low29 Ų2995.5 Ų95.515%0.15251%0.51CS..EExtended strand (participates in β ladder)trans-114.8143.2174.6-65.7-178.7000110.8R330 Y331 L333 K348 L352 H362R330-L350 CarbonylContact C-O 3.58Å; R330-L350 WeakPolarHBondContact CA-O 3.25Å; Y331-L350 PolarHBondContact N-O 3.02Å; Y331-L350 PolarHBondContact O-N 2.81Å; L333-L350 HydrophobicContact CD1-CD1 3.46Å; L333-L350 VanDerWaalsContact CD1-CD1 3.46Å; L333-L350 HydrophobicContact CD1-CG 4.12Å; K348-L350 HydrophobicContact CG-CD2 4.44Å; L350-L352 HydrophobicContact CB-CD1 4.44Å; L350-L352 HydrophobicContact CB-CG 4.25Å; L350-L352 HydrophobicContact CD1-CD1 4.47Å; L350-H362 HydrophobicContact CD1-CB 4.49Å; L350-H362 WeakPolarHBondContact CD1-O 3.34Å
351Y82.4Confident63.3Low54 Ų5494 Ų9421%0.21250%0.499CS..EExtended strand (participates in β ladder)trans-118108.7173.5-55.5-84.8000107.6V305 L309 M329 R330 I349 L380V305-Y351 HydrophobicContact CG1-CD1 4.32Å; V305-Y351 HydrophobicContact CG1-CG 3.99Å; L309-Y351 HydrophobicContact CD1-CD1 3.89Å; L309-Y351 HydrophobicContact CD1-CD2 3.61Å; L309-Y351 HydrophobicContact CD1-CE1 3.55Å; L309-Y351 HydrophobicContact CD1-CE2 3.31Å; L309-Y351 HydrophobicContact CD1-CG 3.89Å; L309-Y351 HydrophobicContact CD2-CE1 4.23Å; M329-Y351 WeakPolarHBondContact O-CA 3.25Å; R330-Y351 HydrophobicContact CB-CD1 4.03Å; R330-Y351 HydrophobicContact CB-CE1 4.01Å; R330-Y351 HydrophobicContact CG-CD1 4.06Å; R330-Y351 HydrophobicContact CG-CE1 3.62Å; I349-Y351 HydrophobicContact CG2-CE1 4.15Å; I349-Y351 HydrophobicContact CG2-CE2 3.7Å; Y351-L380 HydrophobicContact CD1-CD1 3.75Å; Y351-L380 HydrophobicContact CD1-CD2 4.21Å; Y351-L380 HydrophobicContact CE1-CD1 3.61Å
352L79.9Confident64.4Low7 Ų790.4 Ų90.44%0.03748%0.478CS..EExtended strand (participates in β ladder)trans-122142.2-173.1-56.1169.1000110.3M329 Y331 L350 Q356 H362 F363M329-L352 PolarHBondContact N-O 3.35Å; M329-L352 PolarHBondContact O-N 3.18Å; Y331-L352 HydrophobicContact CD2-CB 4.29Å; Y331-L352 HydrophobicContact CD2-CD1 3.79Å; Y331-L352 HydrophobicContact CD2-CG 4.16Å; Y331-L352 HydrophobicContact CE2-CB 3.98Å; Y331-L352 HydrophobicContact CE2-CD1 3.9Å; Y331-L352 HydrophobicContact CE2-CG 4.28Å; L350-L352 HydrophobicContact CB-CD1 4.44Å; L350-L352 HydrophobicContact CB-CG 4.25Å; L350-L352 HydrophobicContact CD1-CD1 4.47Å; L352-Q356 HydrophobicContact CB-CB 4.24Å; L352-Q356 HydrophobicContact CD2-CB 4.12Å; L352-H362 HydrophobicContact CD1-CB 4.26Å; L352-H362 HydrophobicContact CD2-CB 4.25Å; L352-F363 HydrophobicContact CD1-CE1 4.4Å; L352-F363 HydrophobicContact CD1-CE2 3.93Å; L352-F363 HydrophobicContact CD1-CZ 3.64Å
353T80.3Confident65.4Low49 Ų4987.9 Ų87.930%0.30144%0.44SS..  trans-80.8160.316664.50000110.5E355 Q356 E357T353-E355 PolarHBondContact O-N 2.9Å; T353-Q356 PolarHBondContact O-N 3.44Å; T353-Q356 WeakPolarHBondContact OG1-CG 3.41Å; T353-Q356 PolarHBondContact OG1-N 3.15Å; T353-Q356 PolarHBondContact OG1-OE1 3.16Å; T353-E357 PolarHBondContact O-N 3.2Å
354P73.8Confident66.3Low57 Ų5787 Ų8737%0.3743%0.427SS..THydrogen-bonded Turntrans-57.3-20.7176.8-26.832000114.9D327D327-P354 HydrophobicContact CB-CG 3.93Å; D327-P354 WeakPolarHBondContact O-CD 3.4Å
355E70.9Confident66.8Low154 Ų15479.8 Ų79.872%0.7240%0.395SS*.THydrogen-bonded Turntrans-78.2-44.3174.7-62.6-174169.600110.7T353 E357 K358T353-E355 PolarHBondContact O-N 2.9Å; E355-E357 VanDerWaalsContact C-N 3.32Å; E355-E357 PolarHBondContact O-N 3.23Å; E355-K358 WeakPolarHBondContact O-CB 3.49Å; E355-K358 PolarHBondContact O-N 3.3Å
356Q66.5Low67.2Low79 Ų7984 Ų8437%0.36941%0.408SS..G310 helixtrans-71.6-25.2176.8-66.6168.2-31.600112.9L352 T353 K358 D359L352-Q356 HydrophobicContact CB-CB 4.24Å; L352-Q356 HydrophobicContact CD2-CB 4.12Å; T353-Q356 PolarHBondContact O-N 3.44Å; T353-Q356 WeakPolarHBondContact OG1-CG 3.41Å; T353-Q356 PolarHBondContact OG1-N 3.15Å; T353-Q356 PolarHBondContact OG1-OE1 3.16Å; Q356-K358 PolarHBondContact O-N 3.46Å; Q356-D359 PolarHBondContact O-N 3.48Å; Q356-D359 VanDerWaalsContact O-N 3.13Å
357E60.6Low66.9Low90 Ų9088.5 Ų88.542%0.42143%0.426SS..G310 helixtrans-62.2-28.9173.1-174.9177.1-159.400112.1Y331 T353 E355 D359Y331-E357 PolarHBondContact OH-OE1 3.42Å; T353-E357 PolarHBondContact O-N 3.2Å; E355-E357 VanDerWaalsContact C-N 3.32Å; E355-E357 PolarHBondContact O-N 3.23Å; E357-D359 PolarHBondContact O-N 3.34Å
358K64.6Low66Low169 Ų16986.5 Ų86.574%0.73542%0.422SS*.G310 helixtrans-72.9-22177.5-64.7175.8-175.1170.60112.4E355 Q356 K360E355-K358 WeakPolarHBondContact O-CB 3.49Å; E355-K358 PolarHBondContact O-N 3.3Å; Q356-K358 PolarHBondContact O-N 3.46Å; K358-K360 PolarHBondContact O-N 3.16Å
359D64.5Low65Low88 Ų8884.8 Ų84.847%0.47143%0.432SS..  trans-83.397-180-71-28.6000110.2Q356 E357 S361 H362Q356-D359 PolarHBondContact O-N 3.48Å; Q356-D359 VanDerWaalsContact O-N 3.13Å; E357-D359 PolarHBondContact O-N 3.34Å; D359-S361 PolarHBondContact O-N 3.33Å; D359-H362 PolarHBondContact O-N 3.29Å
360K61.4Low63.9Low164 Ų16486.9 Ų86.971%0.71344%0.441SS*.G310 helixtrans-56.2-18.5179.7-68.5-172.3175-168.90114.4K358 H362 F363 T364K358-K360 PolarHBondContact O-N 3.16Å; K360-H362 PolarHBondContact O-N 2.9Å; K360-F363 PolarHBondContact O-N 2.92Å; K360-F363 VanDerWaalsContact O-N 3.13Å; K360-T364 PolarHBondContact O-N 2.81Å; K360-T364 PolarHBondContact O-OG1 2.83Å
361S62.4Low63.1Low64 Ų6492.6 Ų92.645%0.44847%0.466SS..G310 helixtrans-59.9-21.4176.847.80000114.2D359D359-S361 PolarHBondContact O-N 3.33Å
362H59.6Low62.2Low75 Ų7590.9 Ų90.935%0.34746%0.46SS..G310 helixtrans-83.2-17.7178.5-69.3-71.2000113.7L350 L352 D359 K360L350-H362 HydrophobicContact CD1-CB 4.49Å; L350-H362 WeakPolarHBondContact CD1-O 3.34Å; L352-H362 HydrophobicContact CD1-CB 4.26Å; L352-H362 HydrophobicContact CD2-CB 4.25Å; D359-H362 PolarHBondContact O-N 3.29Å; K360-H362 PolarHBondContact O-N 2.9Å
363F59.2Low61.7Low44 Ų4495.7 Ų95.719%0.19348%0.483CS..THydrogen-bonded Turntrans-102.3-9.5179.9-64-82.8000112.9Y331 L333 L352 K360 E371 H372 L374Y331-F363 HydrophobicContact CD1-CE1 4.4Å; Y331-F363 HydrophobicContact CE2-CZ 4.45Å; Y331-F363 HydrophobicContact CG-CE1 4.4Å; L333-F363 HydrophobicContact CD1-CD1 4.32Å; L333-F363 HydrophobicContact CD2-CD1 4.19Å; L333-F363 HydrophobicContact CD2-CE1 4.44Å; L352-F363 HydrophobicContact CD1-CE1 4.4Å; L352-F363 HydrophobicContact CD1-CE2 3.93Å; L352-F363 HydrophobicContact CD1-CZ 3.64Å; K360-F363 PolarHBondContact O-N 2.92Å; K360-F363 VanDerWaalsContact O-N 3.13Å; F363-E371 WeakPolarHBondContact O-CA 3.36Å; F363-H372 PolarHBondContact O-N 2.86Å; F363-L374 HydrophobicContact CE1-CD1 4.45Å
364T57.5Low61.3Low47 Ų4797.6 Ų97.629%0.28849%0.491SS..BIsolated β-bridgetrans-108.4130.9176.9530000110.5K360 K366 E371K360-T364 PolarHBondContact O-N 2.81Å; K360-T364 PolarHBondContact O-OG1 2.83Å; T364-K366 PolarHBondContact O-N 2.88Å; T364-E371 HydrophobicContact CG2-CG 3.99Å
365D55.6Low61.4Low39 Ų3999 Ų9921%0.20949%0.494CS..  trans-68.8130.4174.6-162-1.8000110.6E367 T368 G369 Q370D365-E367 PolarHBondContact O-N 3.36Å; D365-T368 VanDerWaalsContact CB-OG1 3.31Å; D365-T368 WeakPolarHBondContact CB-OG1 3.31Å; D365-T368 PolarHBondContact OD2-OG1 3.45Å; D365-T368 VanDerWaalsContact OD2-OG1 3.12Å; D365-G369 WeakPolarHBondContact O-CA 3.38Å; D365-G369 PolarHBondContact O-N 3.19Å; D365-G369 VanDerWaalsContact O-N 3.08Å; D365-Q370 PolarHBondContact N-O 2.95Å
366K55.8Low61.6Low190 Ų19095.9 Ų95.983%0.82648%0.479SS*.THydrogen-bonded Turntrans-69.8-22.6-172.8-74.7-177.3-179.3175.10112.7T364T364-K366 PolarHBondContact O-N 2.88Å
367E48.4Very low62.3Low185 Ų18595.5 Ų95.586%0.86449%0.485SS*.THydrogen-bonded Turntrans-98.8-34.6-176.5-64.5-168.9148.700113.6D365D365-E367 PolarHBondContact O-N 3.36Å
368T50.5Low63.4Low69 Ų6992.8 Ų92.842%0.42347%0.473SS..THydrogen-bonded Turntrans-104.8-15-174.362.10000113.6D365 Q370D365-T368 VanDerWaalsContact CB-OG1 3.31Å; D365-T368 WeakPolarHBondContact CB-OG1 3.31Å; D365-T368 PolarHBondContact OD2-OG1 3.45Å; D365-T368 VanDerWaalsContact OD2-OG1 3.12Å; T368-Q370 PolarHBondContact O-N 2.88Å
369G52.6Low64.5Low63 Ų6386.4 Ų86.465%0.64945%0.449SS*.  trans65.411.8-178.100000114.2D365D365-G369 WeakPolarHBondContact O-CA 3.38Å; D365-G369 PolarHBondContact O-N 3.19Å; D365-G369 VanDerWaalsContact O-N 3.08Å
370Q57.5Low65.5Low108 Ų10882.2 Ų82.251%0.50543%0.427SS..PPolyproline II helixtrans-89.9141.4176.8-65.3-171.813.300110.7D365 T368D365-Q370 PolarHBondContact N-O 2.95Å; T368-Q370 PolarHBondContact O-N 2.88Å
371E60.5Low66.8Low149 Ų14974.7 Ų74.770%0.69639%0.394SS*.BIsolated β-bridgetrans-74.9128.5173.5-69.7-178.5168.600109.4F363 T364F363-E371 WeakPolarHBondContact O-CA 3.36Å; T364-E371 HydrophobicContact CG2-CG 3.99Å
372H63.9Low67.9Low18 Ų1874.7 Ų74.78%0.08339%0.387CS..PPolyproline II helixtrans-67.3139.5173.4-62.6-55.5000110.4L333 F363 L374L333-H372 HydrophobicContact CB-CB 3.95Å; L333-H372 HydrophobicContact CD1-CB 4.01Å; L333-H372 HydrophobicContact CD2-CB 4.26Å; L333-H372 HydrophobicContact CG-CB 4.3Å; F363-H372 PolarHBondContact O-N 2.86Å; H372-L374 PolarHBondContact O-N 3.13Å
373E69.1Low69.3Low108 Ų10872.4 Ų72.451%0.50538%0.376SS..EExtended strand (participates in β ladder)trans-75.9124.4178.7-169.4179.7-167.100109.9L333 R334 H336 I375L333-E373 CarbonylContact C-O 3.58Å; L333-E373 WeakPolarHBondContact CA-O 3.42Å; R334-E373 HydrophobicContact CB-CB 4.21Å; R334-E373 PolarHBondContact N-O 3.35Å; R334-E373 PolarHBondContact O-N 2.97Å; H336-E373 IonicContact NE2-OE2 3.95Å; E373-I375 PolarHBondContact O-N 3.01Å
374L72.7Confident70.7Confident89 Ų8970.4 Ų70.447%0.46637%0.367SS..EExtended strand (participates in β ladder)trans-72.7108.6174.6-16985.6000110.2Y331 L333 F363 H372Y331-L374 HydrophobicContact CD1-CD1 3.47Å; Y331-L374 VanDerWaalsContact CD1-CD1 3.47Å; Y331-L374 HydrophobicContact CE1-CD1 4.25Å; Y331-L374 HydrophobicContact CG-CD1 4.27Å; L333-L374 HydrophobicContact CD2-CB 4.39Å; L333-L374 HydrophobicContact CD2-CD1 3.77Å; F363-L374 HydrophobicContact CE1-CD1 4.45Å; H372-L374 PolarHBondContact O-N 3.13Å
375I75.8Confident72Confident86 Ų8668.2 Ų68.244%0.44135%0.353SS..EExtended strand (participates in β ladder)trans-81.3-54.9175.9-58.5173.9000109.7V332 R334 E347 E373V332-I375 HydrophobicContact CG1-CD1 4.28Å; V332-I375 WeakPolarHBondContact O-CB 3.34Å; V332-I375 PolarHBondContact O-N 3.09Å; R334-I375 HydrophobicContact CB-CD1 3.83Å; R334-I375 HydrophobicContact CB-CG1 4.07Å; R334-I375 HydrophobicContact CG-CD1 4.26Å; E347-I375 HydrophobicContact CG-CD1 4.46Å; E373-I375 PolarHBondContact O-N 3.01Å
376E75.8Confident73.5Confident89 Ų8970 Ų7042%0.41636%0.363SS..EExtended strand (participates in β ladder)trans-145.9135.7-173.1-168.5176.5-164.300110.2Y331 V332 M378Y331-E376 WeakPolarHBondContact CA-O 3.42Å; V332-E376 HydrophobicContact CB-CB 4.39Å; V332-E376 HydrophobicContact CG2-CB 4.48Å; V332-E376 PolarHBondContact N-O 2.81Å; V332-E376 PolarHBondContact O-N 3.02Å; E376-M378 VanDerWaalsContact OE1-CE 3.3Å; E376-M378 WeakPolarHBondContact OE1-CE 3.47Å
377S79.8Confident74.9Confident71 Ų7162.2 Ų62.250%0.49733%0.331SS..EExtended strand (participates in β ladder)trans-118.8125.7168.160.80000109.1
378M83.6Confident76.7Confident33 Ų3353.6 Ų53.616%0.16329%0.29CS..EExtended strand (participates in β ladder)trans-141.6137.5179.9-172178.8-6700110.5R330 E376 L380 E382 W383R330-M378 WeakPolarHBondContact CA-O 3.5Å; R330-M378 WeakPolarHBondContact CB-O 3.41Å; R330-M378 PolarHBondContact N-O 2.97Å; R330-M378 PolarHBondContact O-N 2.88Å; E376-M378 VanDerWaalsContact OE1-CE 3.3Å; E376-M378 WeakPolarHBondContact OE1-CE 3.47Å; M378-L380 PolarHBondContact O-N 3.44Å; M378-E382 HydrophobicContact CG-CB 4.22Å; M378-E382 HydrophobicContact CG-CG 4.28Å; M378-E382 HydrophobicContact SD-CB 4.48Å; M378-E382 HydrophobicContact SD-CG 4.19Å; M378-W383 HydrophobicContact SD-CB 4.08Å
379P87.6Confident78.3Confident36 Ų3656.4 Ų56.423%0.23430%0.297CS..EExtended strand (participates in β ladder)trans-58.2133.6171.6-26.236.9000111.5M329 L381 E382 W383M329-P379 HydrophobicContact CE-CG 4.17Å; M329-P379 HydrophobicContact SD-CB 4.06Å; M329-P379 HydrophobicContact SD-CG 3.78Å; P379-L381 VanDerWaalsContact C-N 3.31Å; P379-L381 PolarHBondContact O-N 3.39Å; P379-E382 HydrophobicContact CB-CB 4.28Å; P379-E382 WeakPolarHBondContact O-CB 3.45Å; P379-E382 PolarHBondContact O-N 3.37Å; P379-W383 PolarHBondContact O-N 3.2Å; P379-W383 VanDerWaalsContact O-N 3.13Å
380L86.9Confident79.9Confident0 Ų061.1 Ų61.10%030%0.299CS..Hα-helixtrans-60.4-39.9-172.5-179.658.1000112.5V305 L326 T328 R330 Y351 M378 E382 W383 F384 I415V305-L380 HydrophobicContact CG1-CD2 3.78Å; V305-L380 HydrophobicContact CG2-CD2 4.36Å; L326-L380 HydrophobicContact CD2-CB 4.2Å; L326-L380 HydrophobicContact CD2-CD2 3.98Å; L326-L380 HydrophobicContact CD2-CG 4.26Å; T328-L380 HydrophobicContact CG2-CB 4.37Å; T328-L380 HydrophobicContact CG2-CD2 3.8Å; T328-L380 VanDerWaalsContact O-CB 3.24Å; T328-L380 WeakPolarHBondContact O-CB 3.45Å; T328-L380 PolarHBondContact O-N 3.33Å; R330-L380 HydrophobicContact CB-CD1 4.47Å; Y351-L380 HydrophobicContact CD1-CD1 3.75Å; Y351-L380 HydrophobicContact CD1-CD2 4.21Å; Y351-L380 HydrophobicContact CE1-CD1 3.61Å; M378-L380 PolarHBondContact O-N 3.44Å; L380-E382 VanDerWaalsContact C-N 3.26Å; L380-E382 PolarHBondContact O-N 3.35Å; L380-W383 HydrophobicContact CD1-CE3 4.36Å; L380-W383 WeakPolarHBondContact O-CB 3.37Å; L380-W383 PolarHBondContact O-N 3.29Å; L380-F384 HydrophobicContact CD1-CD2 4.35Å; L380-F384 HydrophobicContact CD1-CE2 3.8Å; L380-F384 HydrophobicContact CD1-CZ 3.9Å; L380-F384 HydrophobicContact CD2-CE2 3.9Å; L380-F384 HydrophobicContact CD2-CZ 4.3Å; L380-F384 HydrophobicContact CG-CD2 4.04Å; L380-F384 HydrophobicContact CG-CE2 3.48Å; L380-F384 VanDerWaalsContact CG-CE2 3.48Å; L380-F384 HydrophobicContact CG-CZ 4.04Å; L380-F384 WeakPolarHBondContact O-CD2 3.15Å; L380-F384 PolarHBondContact O-N 3.01Å; L380-I415 HydrophobicContact CD2-CD1 4.32Å
381L87.6Confident81.2Confident6 Ų658.7 Ų58.73%0.03129%0.287CS..Hα-helixtrans-60.7-34.2175.4178.658.5000112.8W15 V322 E324 P379 F384 A385 I397W15-L381 HydrophobicContact CH2-CB 4.28Å; W15-L381 HydrophobicContact CH2-CD2 3.96Å; W15-L381 HydrophobicContact CH2-CG 3.68Å; W15-L381 HydrophobicContact CZ2-CB 4.31Å; W15-L381 HydrophobicContact CZ2-CD2 3.23Å; W15-L381 HydrophobicContact CZ2-CG 3.52Å; W15-L381 HydrophobicContact CZ3-CG 4.36Å; V322-L381 HydrophobicContact CB-CD1 3.86Å; V322-L381 HydrophobicContact CG1-CD1 3.65Å; E324-L381 WeakPolarHBondContact O-CD2 3.49Å; P379-L381 VanDerWaalsContact C-N 3.31Å; P379-L381 PolarHBondContact O-N 3.39Å; L381-F384 PolarHBondContact O-N 3.44Å; L381-A385 WeakPolarHBondContact O-CB 3.36Å; L381-A385 PolarHBondContact O-N 3.01Å; L381-I397 HydrophobicContact CD1-CD1 4.46Å; L381-I397 HydrophobicContact CD1-CG1 4.4Å
382E86.2Confident82.4Confident64 Ų6453.5 Ų53.530%0.29927%0.274SS..Hα-helixtrans-71.5-39.1176.6-176169.8176.900111.7W15 K19 M378 P379 L380 F384 A385 N386W15-E382 HydrophobicContact CH2-CB 4.28Å; K19-E382 IonicContact NZ-OE2 3.77Å; K19-E382 PolarHBondContact NZ-OE2 3.42Å; M378-E382 HydrophobicContact CG-CB 4.22Å; M378-E382 HydrophobicContact CG-CG 4.28Å; M378-E382 HydrophobicContact SD-CB 4.48Å; M378-E382 HydrophobicContact SD-CG 4.19Å; P379-E382 HydrophobicContact CB-CB 4.28Å; P379-E382 WeakPolarHBondContact O-CB 3.45Å; P379-E382 PolarHBondContact O-N 3.37Å; L380-E382 VanDerWaalsContact C-N 3.26Å; L380-E382 PolarHBondContact O-N 3.35Å; E382-F384 VanDerWaalsContact C-N 3.34Å; E382-F384 PolarHBondContact O-N 3.16Å; E382-A385 PolarHBondContact O-N 3.35Å; E382-N386 PolarHBondContact O-N 3.02Å; E382-N386 VanDerWaalsContact O-N 3.12Å; E382-N386 PolarHBondContact O-ND2 2.66Å
383W88.4Confident83.5Confident27 Ų2753 Ų5310%0.10227%0.273CS..Hα-helixtrans-61.2-44173.1-176.785.8000111.6L309 L312 R330 M378 P379 L380 N386 N387 F391L309-W383 HydrophobicContact CD2-CZ3 4.04Å; L312-W383 HydrophobicContact CD2-CZ3 4.11Å; R330-W383 VanDerWaalsContact CZ-NE1 3.28Å; R330-W383 VanDerWaalsContact NH1-NE1 3.15Å; M378-W383 HydrophobicContact SD-CB 4.08Å; P379-W383 PolarHBondContact O-N 3.2Å; P379-W383 VanDerWaalsContact O-N 3.13Å; L380-W383 HydrophobicContact CD1-CE3 4.36Å; L380-W383 WeakPolarHBondContact O-CB 3.37Å; L380-W383 PolarHBondContact O-N 3.29Å; W383-N386 PolarHBondContact O-N 3.4Å; W383-N387 VanDerWaalsContact CD1-ND2 3.27Å; W383-N387 HydrophobicContact CZ2-CB 4.38Å; W383-N387 PolarHBondContact NE1-ND2 3.18Å; W383-N387 WeakPolarHBondContact O-CB 3.04Å; W383-N387 PolarHBondContact O-N 3.46Å; W383-N387 PolarHBondContact O-ND2 3.25Å; W383-F391 AromaticContact CH2-CE2 3.7Å; W383-F391 HydrophobicContact CH2-CE2 3.7Å; W383-F391 AromaticContact CH2-CZ 3.86Å; W383-F391 HydrophobicContact CH2-CZ 3.86Å; W383-F391 HydrophobicContact CZ2-CE2 4.26Å; W383-F391 HydrophobicContact CZ2-CZ 4.34Å; W383-F391 HydrophobicContact CZ3-CE2 4.38Å
384F88.1Confident84.4Confident1 Ų149.9 Ų49.90%0.00426%0.261CS..Hα-helixtrans-59.7-48.8173.9-72-50.1000111.3L309 L312 L320 V322 L380 L381 E382 N386 N387 Y388 L395 I415L309-F384 HydrophobicContact CD2-CE1 3.93Å; L309-F384 HydrophobicContact CD2-CZ 3.95Å; L312-F384 HydrophobicContact CD2-CD1 3.89Å; L312-F384 HydrophobicContact CD2-CE1 3.59Å; L320-F384 HydrophobicContact CD2-CB 4.26Å; L320-F384 HydrophobicContact CD2-CD1 3.56Å; L320-F384 HydrophobicContact CD2-CD2 4.36Å; L320-F384 HydrophobicContact CD2-CE1 3.93Å; L320-F384 HydrophobicContact CD2-CG 3.82Å; L320-F384 HydrophobicContact CD2-CZ 4.46Å; V322-F384 HydrophobicContact CG2-CD2 4.11Å; V322-F384 HydrophobicContact CG2-CE2 4.45Å; L380-F384 HydrophobicContact CD1-CD2 4.35Å; L380-F384 HydrophobicContact CD1-CE2 3.8Å; L380-F384 HydrophobicContact CD1-CZ 3.9Å; L380-F384 HydrophobicContact CD2-CE2 3.9Å; L380-F384 HydrophobicContact CD2-CZ 4.3Å; L380-F384 HydrophobicContact CG-CD2 4.04Å; L380-F384 HydrophobicContact CG-CE2 3.48Å; L380-F384 VanDerWaalsContact CG-CE2 3.48Å; L380-F384 HydrophobicContact CG-CZ 4.04Å; L380-F384 WeakPolarHBondContact O-CD2 3.15Å; L380-F384 PolarHBondContact O-N 3.01Å; L381-F384 PolarHBondContact O-N 3.44Å; E382-F384 VanDerWaalsContact C-N 3.34Å; E382-F384 PolarHBondContact O-N 3.16Å; F384-N386 PolarHBondContact O-N 2.89Å; F384-N386 VanDerWaalsContact O-N 3.09Å; F384-N387 PolarHBondContact O-N 3.15Å; F384-N387 VanDerWaalsContact O-N 3.15Å; F384-Y388 VanDerWaalsContact O-CB 3.3Å; F384-Y388 WeakPolarHBondContact O-CB 3.28Å; F384-Y388 WeakPolarHBondContact O-CD1 3.46Å; F384-Y388 PolarHBondContact O-N 3.05Å; F384-L395 HydrophobicContact CB-CD1 4.39Å; F384-L395 HydrophobicContact CB-CD2 4.26Å; F384-I415 HydrophobicContact CE2-CD1 3.5Å; F384-I415 VanDerWaalsContact CE2-CD1 3.5Å; F384-I415 HydrophobicContact CZ-CD1 3.72Å
385A86.1Confident85.2Confident1 Ų145.7 Ų45.71%0.00824%0.239CC..Hα-helixtrans-59.6-22.9-179.800000114V12 W15 K16 L381 E382 Y388 L395V12-A385 HydrophobicContact CG1-CB 3.68Å; W15-A385 HydrophobicContact CE3-CB 4.33Å; W15-A385 HydrophobicContact CZ3-CB 4.05Å; K16-A385 WeakPolarHBondContact CE-O 3.49Å; K16-A385 HydrophobicContact CG-CB 4.48Å; K16-A385 PolarHBondContact NZ-O 3.2Å; L381-A385 WeakPolarHBondContact O-CB 3.36Å; L381-A385 PolarHBondContact O-N 3.01Å; E382-A385 PolarHBondContact O-N 3.35Å; A385-Y388 WeakPolarHBondContact O-CD1 3.23Å; A385-Y388 VanDerWaalsContact O-CE1 3.28Å; A385-Y388 WeakPolarHBondContact O-CE1 3.02Å; A385-L395 HydrophobicContact CB-CD2 4.16Å
386N86.3Confident85.9Confident77 Ų7743.5 Ų43.541%0.41223%0.227SC..Hα-helixtrans-93.8-29.7177.6-68.9-23.7000113.3K16 E382 W383 F384K16-N386 VanDerWaalsContact CE-OD1 3.3Å; K16-N386 WeakPolarHBondContact CE-OD1 3.44Å; K16-N386 PolarHBondContact NZ-OD1 3.13Å; K16-N386 VanDerWaalsContact NZ-OD1 3.17Å; E382-N386 PolarHBondContact O-N 3.02Å; E382-N386 VanDerWaalsContact O-N 3.12Å; E382-N386 PolarHBondContact O-ND2 2.66Å; W383-N386 PolarHBondContact O-N 3.4Å; F384-N386 PolarHBondContact O-N 2.89Å; F384-N386 VanDerWaalsContact O-N 3.09Å
387N86.3Confident86.5Confident27 Ų2740.7 Ų40.714%0.14422%0.215CC..Hα-helixtrans-113.9-11.3-170.5-65.2-60.9000115.5W383 F384 K389 K390 F391W383-N387 VanDerWaalsContact CD1-ND2 3.27Å; W383-N387 HydrophobicContact CZ2-CB 4.38Å; W383-N387 PolarHBondContact NE1-ND2 3.18Å; W383-N387 WeakPolarHBondContact O-CB 3.04Å; W383-N387 PolarHBondContact O-N 3.46Å; W383-N387 PolarHBondContact O-ND2 3.25Å; F384-N387 PolarHBondContact O-N 3.15Å; F384-N387 VanDerWaalsContact O-N 3.15Å; N387-K389 PolarHBondContact O-N 2.88Å; N387-K390 WeakPolarHBondContact O-CB 3.48Å; N387-K390 PolarHBondContact O-N 3.34Å; N387-K390 PolarHBondContact OD1-NZ 3.49Å; N387-F391 HydrophobicContact CB-CE2 4.09Å; N387-F391 WeakPolarHBondContact O-CD2 3.45Å
388Y85.1Confident86.9Confident4 Ų437.4 Ų37.42%0.01619%0.192CC..Hα-helixtrans-52.6-36.4-176.272.5-80.7000114D9 V12 F384 A385 K390 F391 G392 A393 L395D9-Y388 VanDerWaalsContact CG-OH 3.31Å; D9-Y388 WeakPolarHBondContact OD1-CE2 3.41Å; D9-Y388 PolarHBondContact OD1-OH 3.43Å; V12-Y388 HydrophobicContact CG1-CE1 3.94Å; V12-Y388 HydrophobicContact CG2-CE1 4.5Å; F384-Y388 VanDerWaalsContact O-CB 3.3Å; F384-Y388 WeakPolarHBondContact O-CB 3.28Å; F384-Y388 WeakPolarHBondContact O-CD1 3.46Å; F384-Y388 PolarHBondContact O-N 3.05Å; A385-Y388 WeakPolarHBondContact O-CD1 3.23Å; A385-Y388 VanDerWaalsContact O-CE1 3.28Å; A385-Y388 WeakPolarHBondContact O-CE1 3.02Å; Y388-K390 VanDerWaalsContact C-N 3.25Å; Y388-K390 PolarHBondContact O-N 3Å; Y388-F391 PolarHBondContact O-N 2.96Å; Y388-F391 VanDerWaalsContact O-N 3.16Å; Y388-G392 PolarHBondContact O-N 2.95Å; Y388-A393 WeakPolarHBondContact CD2-O 3.41Å; Y388-L395 HydrophobicContact CD1-CB 4.25Å; Y388-L395 HydrophobicContact CD1-CD2 4.14Å; Y388-L395 HydrophobicContact CD2-CB 3.83Å; Y388-L395 HydrophobicContact CE2-CB 4.28Å; Y388-L395 HydrophobicContact CG-CB 3.79Å; Y388-L395 HydrophobicContact CG-CD2 4.42Å
389K84.8Confident87.1Confident128 Ų12836.8 Ų36.856%0.55719%0.189SC*.Hα-helixtrans-63.1-28.4178.5-60-163.9-172.5-157.40113.6D9 N387 F391 G392D9-K389 VanDerWaalsContact OD2-CE 3.31Å; D9-K389 WeakPolarHBondContact OD2-CE 3.35Å; D9-K389 IonicContact OD2-NZ 3.17Å; D9-K389 PolarHBondContact OD2-NZ 3.35Å; N387-K389 PolarHBondContact O-N 2.88Å; K389-F391 VanDerWaalsContact C-N 3.3Å; K389-G392 PolarHBondContact O-N 3.36Å
390K86.7Confident87.1Confident162 Ų16238.3 Ų38.370%0.70420%0.196SC*.Hα-helixtrans-69.8-31178.2-63.8176.6179.6166.70111.8N387 Y388N387-K390 WeakPolarHBondContact O-CB 3.48Å; N387-K390 PolarHBondContact O-N 3.34Å; N387-K390 PolarHBondContact OD1-NZ 3.49Å; Y388-K390 VanDerWaalsContact C-N 3.25Å; Y388-K390 PolarHBondContact O-N 3Å
391F84.9Confident86.9Confident56 Ų5645.4 Ų45.425%0.24623%0.227CC..Hα-helixtrans-89.2-6-178.7-60.8-75000113.3L312 W383 N387 Y388 K389 A393L312-F391 HydrophobicContact CD1-CB 3.6Å; L312-F391 HydrophobicContact CD1-CD2 4.22Å; L312-F391 HydrophobicContact CD1-CG 3.93Å; L312-F391 HydrophobicContact CD2-CD2 3.87Å; L312-F391 HydrophobicContact CD2-CE2 4.11Å; L312-F391 HydrophobicContact CD2-CG 4.23Å; L312-F391 HydrophobicContact CG-CB 3.93Å; L312-F391 HydrophobicContact CG-CD1 4.07Å; L312-F391 HydrophobicContact CG-CD2 3.86Å; L312-F391 HydrophobicContact CG-CE2 4.38Å; L312-F391 HydrophobicContact CG-CG 3.69Å; L312-F391 VanDerWaalsContact O-CD1 3.24Å; L312-F391 WeakPolarHBondContact O-CD1 3.41Å; W383-F391 AromaticContact CH2-CE2 3.7Å; W383-F391 HydrophobicContact CH2-CE2 3.7Å; W383-F391 AromaticContact CH2-CZ 3.86Å; W383-F391 HydrophobicContact CH2-CZ 3.86Å; W383-F391 HydrophobicContact CZ2-CE2 4.26Å; W383-F391 HydrophobicContact CZ2-CZ 4.34Å; W383-F391 HydrophobicContact CZ3-CE2 4.38Å; N387-F391 HydrophobicContact CB-CE2 4.09Å; N387-F391 WeakPolarHBondContact O-CD2 3.45Å; Y388-F391 PolarHBondContact O-N 2.96Å; Y388-F391 VanDerWaalsContact O-N 3.16Å; K389-F391 VanDerWaalsContact C-N 3.3Å; F391-A393 PolarHBondContact O-N 3.36Å
392G84.1Confident86.7Confident41 Ų4146 Ų4642%0.42323%0.231SC..THydrogen-bonded Turntrans70.515.4-178.800000114.4Y388 K389 R420Y388-G392 PolarHBondContact O-N 2.95Å; K389-G392 PolarHBondContact O-N 3.36Å; G392-R420 PolarHBondContact O-NH2 3.23Å
393A87.4Confident86.7Confident7 Ų749.7 Ų49.76%0.05825%0.248CC..PPolyproline II helixtrans-89.4153.9173.700000110.9L312 V317 Y388 F391L312-A393 HydrophobicContact CD1-CB 3.89Å; V317-A393 HydrophobicContact CB-CB 4.23Å; V317-A393 HydrophobicContact CG1-CB 4.11Å; Y388-A393 WeakPolarHBondContact CD2-O 3.41Å; F391-A393 PolarHBondContact O-N 3.36Å
394T88.8Confident86.6Confident43 Ų4350.2 Ų50.226%0.26425%0.252SS..EExtended strand (participates in β ladder)trans-94.4124.6167.455.60000109.7E318 I319 L320E318-T394 PolarHBondContact O-N 2.9Å; E318-T394 PolarHBondContact O-OG1 2.89Å; E318-T394 VanDerWaalsContact O-OG1 3.11Å; I319-T394 CarbonylContact C-O 3.53Å; I319-T394 WeakPolarHBondContact CA-O 3.48Å; I319-T394 WeakPolarHBondContact CA-OG1 3.46Å; I319-T394 WeakPolarHBondContact CG1-OG1 3.2Å; L320-T394 PolarHBondContact N-O 2.94Å
395L90.1Very high86.6Confident0 Ų050.1 Ų50.10%025%0.252CS..EExtended strand (participates in β ladder)trans-89.4122.5177.8175.364.4000110.5V12 L320 V322 F384 A385 Y388 I397V12-L395 HydrophobicContact CG1-CD2 4.09Å; V12-L395 HydrophobicContact CG2-CB 4.06Å; V12-L395 HydrophobicContact CG2-CD2 3.76Å; V12-L395 HydrophobicContact CG2-CG 3.91Å; L320-L395 HydrophobicContact CB-CD1 4.43Å; L320-L395 HydrophobicContact CD2-CD1 3.95Å; L320-L395 HydrophobicContact CG-CD1 4.1Å; V322-L395 HydrophobicContact CB-CD1 4.3Å; V322-L395 HydrophobicContact CG2-CD1 3.63Å; F384-L395 HydrophobicContact CB-CD1 4.39Å; F384-L395 HydrophobicContact CB-CD2 4.26Å; A385-L395 HydrophobicContact CB-CD2 4.16Å; Y388-L395 HydrophobicContact CD1-CB 4.25Å; Y388-L395 HydrophobicContact CD1-CD2 4.14Å; Y388-L395 HydrophobicContact CD2-CB 3.83Å; Y388-L395 HydrophobicContact CE2-CB 4.28Å; Y388-L395 HydrophobicContact CG-CB 3.79Å; Y388-L395 HydrophobicContact CG-CD2 4.42Å; L395-I397 HydrophobicContact CG-CG1 4.43Å
396E88.8Confident86.8Confident40 Ų4051.8 Ų51.819%0.18726%0.263CS..EExtended strand (participates in β ladder)trans-117.1126.2173.6-74.6-70.2-179.200110.2A8 L286 I319 L320 I321 V322A8-E396 VanDerWaalsContact CB-OE1 3.27Å; A8-E396 WeakPolarHBondContact CB-OE1 3.47Å; L286-E396 HydrophobicContact CD2-CB 3.52Å; L286-E396 HydrophobicContact CD2-CG 3.73Å; I319-E396 HydrophobicContact CG2-CB 4.28Å; I319-E396 HydrophobicContact CG2-CG 3.89Å; L320-E396 PolarHBondContact O-N 3.15Å; I321-E396 WeakPolarHBondContact CA-O 3.38Å; V322-E396 PolarHBondContact N-O 3.48Å
397I88.4Confident86.9Confident31 Ų3152.8 Ų52.816%0.15927%0.265CS..EExtended strand (participates in β ladder)trans-100.7122.6-178.9-57175.8000108.5V12 W15 V322 E324 L381 L395V12-I397 HydrophobicContact CG2-CD1 4.44Å; W15-I397 HydrophobicContact CB-CD1 3.57Å; W15-I397 HydrophobicContact CD2-CD1 3.9Å; W15-I397 HydrophobicContact CE3-CD1 4.4Å; W15-I397 HydrophobicContact CG-CD1 3.49Å; W15-I397 VanDerWaalsContact CG-CD1 3.49Å; V322-I397 WeakPolarHBondContact O-CA 3.4Å; E324-I397 HydrophobicContact CB-CG2 3.77Å; L381-I397 HydrophobicContact CD1-CD1 4.46Å; L381-I397 HydrophobicContact CD1-CG1 4.4Å; L395-I397 HydrophobicContact CG-CG1 4.43Å
398V88.8Confident87.2Confident2 Ų251.5 Ų51.51%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-115.5164.2-175.7-59.30000112.3E283 L286 I287 I321 V322 Y323 E324 F408E283-V398 HydrophobicContact CG-CB 4.02Å; E283-V398 HydrophobicContact CG-CG1 3.97Å; L286-V398 HydrophobicContact CD2-CG1 4.25Å; I287-V398 HydrophobicContact CD1-CB 4.25Å; I287-V398 HydrophobicContact CD1-CG1 4.32Å; I287-V398 HydrophobicContact CD1-CG2 4.44Å; I287-V398 HydrophobicContact CG1-CG1 4.39Å; I321-V398 HydrophobicContact CG2-CB 4.43Å; I321-V398 HydrophobicContact CG2-CG1 3.7Å; I321-V398 HydrophobicContact CG2-CG2 3.81Å; V322-V398 PolarHBondContact O-N 3.4Å; Y323-V398 WeakPolarHBondContact CD2-O 3.38Å; E324-V398 PolarHBondContact N-O 3.08Å; V398-F408 HydrophobicContact CG2-CD1 4.05Å; V398-F408 HydrophobicContact CG2-CE1 4.02Å
399T87.6Confident87.4Confident19 Ų1953 Ų5312%0.11727%0.268CS..  trans-119168.4179.872.30000111.3E283 E324 G405E283-T399 WeakPolarHBondContact OE1-CA 3.42Å; E283-T399 PolarHBondContact OE1-N 2.99Å; E283-T399 PolarHBondContact OE1-OG1 3.36Å; E283-T399 PolarHBondContact OE2-OG1 3.05Å; E324-T399 HydrophobicContact CG-CG2 4.3Å; T399-G405 WeakPolarHBondContact O-CA 3.47Å
400D87.4Confident87.6Confident69 Ų6955.3 Ų55.337%0.36928%0.278SS..SBendtrans-97.512.4178.165.3-41.7000112.7Y323 S402 V409Y323-D400 HydrophobicContact CE2-CB 3.8Å; Y323-D400 VanDerWaalsContact OH-CG 3.28Å; Y323-D400 PolarHBondContact OH-OD1 3.35Å; Y323-D400 VanDerWaalsContact OH-OD1 3.05Å; D400-S402 VanDerWaalsContact C-N 3.33Å; D400-S402 PolarHBondContact O-N 2.68Å; D400-V409 HydrophobicContact CB-CG2 4.24Å
401K83.4Confident87.6Confident149 Ų14950.4 Ų50.465%0.64827%0.273SS*.SBendtrans-74.2-23.8-177.1-67.7-179.3176.6177.20113.4F280F280-K401 HydrophobicContact CD1-CB 4.41Å; F280-K401 HydrophobicContact CE1-CB 3.79Å; F280-K401 HydrophobicContact CE1-CD 3.61Å; F280-K401 HydrophobicContact CE1-CG 4.32Å; F280-K401 HydrophobicContact CZ-CD 3.79Å
402S83.9Confident87.7Confident18 Ų1850.2 Ų50.213%0.12627%0.272CS..SBendtrans-90.3156.8174.563.40000110.9D400 E404 G405 S406D400-S402 VanDerWaalsContact C-N 3.33Å; D400-S402 PolarHBondContact O-N 2.68Å; S402-E404 VanDerWaalsContact C-N 3.28Å; S402-E404 PolarHBondContact O-N 2.87Å; S402-G405 PolarHBondContact O-N 2.9Å; S402-G405 WeakPolarHBondContact OG-CA 3.35Å; S402-G405 PolarHBondContact OG-N 3.04Å; S402-S406 PolarHBondContact O-N 3.23Å
403Q84.9Confident87.7Confident142 Ų14250.6 Ų50.666%0.66428%0.277SS*.Hα-helixtrans-61.3-42.2175.6-177.8177.7-7.300110.7S406 Q407Q403-S406 PolarHBondContact O-N 3.34Å; Q403-Q407 WeakPolarHBondContact O-CG 3.37Å; Q403-Q407 PolarHBondContact O-N 2.94Å
404E87.4Confident87.7Confident37 Ų3750.3 Ų50.317%0.17327%0.274CS..Hα-helixtrans-64.9-42.4176.7-64.278.8-177.100111.6K284 I287 F291 S402 Q407 F408K284-E404 WeakPolarHBondContact CE-OE1 3.49Å; K284-E404 VanDerWaalsContact CE-OE2 3.3Å; K284-E404 WeakPolarHBondContact CE-OE2 3.37Å; K284-E404 HydrophobicContact CG-CG 4.33Å; K284-E404 IonicContact NZ-OE1 3.7Å; K284-E404 PolarHBondContact NZ-OE1 2.91Å; I287-E404 HydrophobicContact CB-CB 4.25Å; I287-E404 HydrophobicContact CG2-CB 3.82Å; F291-E404 HydrophobicContact CE2-CB 4.04Å; F291-E404 HydrophobicContact CE2-CG 4.43Å; S402-E404 VanDerWaalsContact C-N 3.28Å; S402-E404 PolarHBondContact O-N 2.87Å; E404-Q407 WeakPolarHBondContact O-CB 3.36Å; E404-Q407 PolarHBondContact O-N 2.71Å; E404-F408 WeakPolarHBondContact O-CB 3.43Å; E404-F408 PolarHBondContact O-N 3.24Å
405G88.3Confident87.8Confident0 Ų048.3 Ų48.30%026%0.262CS..Hα-helixtrans-61.4-42.8173.800000112.7T399 S402 Q407 F408 V409T399-G405 WeakPolarHBondContact O-CA 3.47Å; S402-G405 PolarHBondContact O-N 2.9Å; S402-G405 WeakPolarHBondContact OG-CA 3.35Å; S402-G405 PolarHBondContact OG-N 3.04Å; G405-Q407 VanDerWaalsContact C-N 3.32Å; G405-Q407 PolarHBondContact O-N 3.23Å; G405-F408 WeakPolarHBondContact O-CB 3.28Å; G405-F408 PolarHBondContact O-N 2.93Å; G405-V409 WeakPolarHBondContact O-CG2 3.5Å; G405-V409 PolarHBondContact O-N 2.96Å
406S89Confident87.9Confident35 Ų3548.3 Ų48.325%0.24526%0.262CS..Hα-helixtrans-63.1-38175.5-161.50000112.3S402 Q403 K410S402-S406 PolarHBondContact O-N 3.23Å; Q403-S406 PolarHBondContact O-N 3.34Å; S406-K410 WeakPolarHBondContact O-CB 3.41Å; S406-K410 WeakPolarHBondContact O-CG 3.32Å; S406-K410 PolarHBondContact O-N 3.19Å
407Q90Very high88.1Confident99 Ų9946.4 Ų46.446%0.46325%0.253SS..Hα-helixtrans-67.2-40.6173.5-74.6178.6-1600112.3F291 Q403 E404 G405 G411F291-Q407 HydrophobicContact CE2-CB 4.36Å; F291-Q407 HydrophobicContact CZ-CB 4.01Å; Q403-Q407 WeakPolarHBondContact O-CG 3.37Å; Q403-Q407 PolarHBondContact O-N 2.94Å; E404-Q407 WeakPolarHBondContact O-CB 3.36Å; E404-Q407 PolarHBondContact O-N 2.71Å; G405-Q407 VanDerWaalsContact C-N 3.32Å; G405-Q407 PolarHBondContact O-N 3.23Å; Q407-G411 WeakPolarHBondContact O-CA 3.47Å; Q407-G411 PolarHBondContact O-N 3.25Å
408F91.1Very high88.4Confident0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-60.7-45.9176.2178.8-105.3000111.6I287 Y290 F291 I321 V398 E404 G405 F412 G414I287-F408 HydrophobicContact CG2-CB 4.27Å; Y290-F408 HydrophobicContact CD1-CD2 4.11Å; Y290-F408 HydrophobicContact CD1-CE2 4.27Å; Y290-F408 AromaticContact CE1-CD2 3.8Å; Y290-F408 HydrophobicContact CE1-CD2 3.8Å; Y290-F408 AromaticContact CE1-CE2 3.86Å; Y290-F408 HydrophobicContact CE1-CE2 3.86Å; F291-F408 HydrophobicContact CZ-CB 4.29Å; I321-F408 HydrophobicContact CB-CZ 4.05Å; I321-F408 HydrophobicContact CG2-CE1 3.88Å; I321-F408 HydrophobicContact CG2-CE2 4.32Å; I321-F408 HydrophobicContact CG2-CZ 3.7Å; V398-F408 HydrophobicContact CG2-CD1 4.05Å; V398-F408 HydrophobicContact CG2-CE1 4.02Å; E404-F408 WeakPolarHBondContact O-CB 3.43Å; E404-F408 PolarHBondContact O-N 3.24Å; G405-F408 WeakPolarHBondContact O-CB 3.28Å; G405-F408 PolarHBondContact O-N 2.93Å; F408-F412 HydrophobicContact CD2-CB 4.4Å; F408-F412 WeakPolarHBondContact O-CA 3.31Å; F408-F412 WeakPolarHBondContact O-CB 3.4Å; F408-F412 PolarHBondContact O-N 3Å; F408-G414 VanDerWaalsContact CE1-C 3.46Å; F408-G414 WeakPolarHBondContact CE1-O 3.39Å; F408-G414 PolarHBondContact O-N 3.45Å
409V89.9Confident88.6Confident36 Ų3645 Ų4522%0.21825%0.246CC..Hα-helixtrans-67.8-50.5179177.20000111.7Y323 D400 G405 G413 G414Y323-V409 HydrophobicContact CD1-CG1 4.2Å; Y323-V409 HydrophobicContact CD1-CG2 3.93Å; Y323-V409 HydrophobicContact CD2-CG2 3.59Å; Y323-V409 HydrophobicContact CE1-CG1 4.25Å; Y323-V409 HydrophobicContact CE1-CG2 4.3Å; Y323-V409 HydrophobicContact CE2-CG2 4.03Å; Y323-V409 HydrophobicContact CG-CG2 3.56Å; D400-V409 HydrophobicContact CB-CG2 4.24Å; G405-V409 WeakPolarHBondContact O-CG2 3.5Å; G405-V409 PolarHBondContact O-N 2.96Å; V409-G413 WeakPolarHBondContact O-CA 3.47Å; V409-G413 PolarHBondContact O-N 3.33Å; V409-G414 PolarHBondContact O-N 3.5Å
410K88.3Confident88.7Confident176 Ų17650.4 Ų50.477%0.76526%0.264SS*.Hα-helixtrans-76-32.7-175.2-69.8178178.61720114S406S406-K410 WeakPolarHBondContact O-CB 3.41Å; S406-K410 WeakPolarHBondContact O-CG 3.32Å; S406-K410 PolarHBondContact O-N 3.19Å
411G86.7Confident88.7Confident58 Ų5852.7 Ų52.760%0.59827%0.268SS*.Hα-helixtrans-91.1-35.1-175.400000113.7Q407Q407-G411 WeakPolarHBondContact O-CA 3.47Å; Q407-G411 PolarHBondContact O-N 3.25Å
412F86.6Confident88.9Confident52 Ų5253.6 Ų53.623%0.22827%0.268CS..Hα-helixtrans-120.811.1-170.9-60.1-84000113.4F291 I294 F303 F408 G414F291-F412 HydrophobicContact CD1-CE2 4.22Å; F291-F412 AromaticContact CE1-CD2 3.93Å; F291-F412 HydrophobicContact CE1-CD2 3.93Å; F291-F412 AromaticContact CE1-CE2 3.47Å; F291-F412 HydrophobicContact CE1-CE2 3.47Å; F291-F412 VanDerWaalsContact CE1-CE2 3.47Å; F291-F412 HydrophobicContact CE1-CZ 4.31Å; F291-F412 HydrophobicContact CZ-CE2 4.33Å; I294-F412 HydrophobicContact CD1-CD1 4.46Å; I294-F412 HydrophobicContact CD1-CE1 3.66Å; I294-F412 HydrophobicContact CD1-CE2 4.4Å; I294-F412 HydrophobicContact CD1-CZ 3.62Å; F303-F412 HydrophobicContact CB-CB 4.17Å; F303-F412 HydrophobicContact CB-CD1 3.8Å; F303-F412 HydrophobicContact CB-CG 4.44Å; F303-F412 HydrophobicContact CD1-CD1 4.37Å; F303-F412 HydrophobicContact CD2-CD1 4.26Å; F303-F412 AromaticContact CG-CD1 3.9Å; F303-F412 HydrophobicContact CG-CD1 3.9Å; F408-F412 HydrophobicContact CD2-CB 4.4Å; F408-F412 WeakPolarHBondContact O-CA 3.31Å; F408-F412 WeakPolarHBondContact O-CB 3.4Å; F408-F412 PolarHBondContact O-N 3Å; F412-G414 VanDerWaalsContact C-N 3.29Å; F412-G414 PolarHBondContact O-N 3.26Å
413G84.9Confident89Confident50 Ų5053.5 Ų53.552%0.51527%0.266SS..THydrogen-bonded Turntrans75.413175.100000114.9V409 I415V409-G413 WeakPolarHBondContact O-CA 3.47Å; V409-G413 PolarHBondContact O-N 3.33Å; G413-I415 PolarHBondContact O-N 2.98Å
414G87.3Confident88.7Confident1 Ų151.6 Ų51.61%0.0126%0.26CS..THydrogen-bonded Turntrans72.710.4175.200000115.2Y323 F408 V409 F412Y323-G414 VanDerWaalsContact CB-O 3.29Å; Y323-G414 WeakPolarHBondContact CB-O 3.31Å; Y323-G414 PolarHBondContact N-O 3.33Å; F408-G414 VanDerWaalsContact CE1-C 3.46Å; F408-G414 WeakPolarHBondContact CE1-O 3.39Å; F408-G414 PolarHBondContact O-N 3.45Å; V409-G414 PolarHBondContact O-N 3.5Å; F412-G414 VanDerWaalsContact C-N 3.29Å; F412-G414 PolarHBondContact O-N 3.26Å
415I91.9Very high88Confident1 Ų151.1 Ų51.11%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-136.7135.8174-173172.2000109.9G304 V305 T308 L326 L380 F384 G413G304-I415 PolarHBondContact N-O 3.05Å; V305-I415 HydrophobicContact CG2-CG2 3.85Å; T308-I415 HydrophobicContact CG2-CD1 4.17Å; T308-I415 HydrophobicContact CG2-CG1 4.04Å; L326-I415 HydrophobicContact CD1-CB 4.24Å; L380-I415 HydrophobicContact CD2-CD1 4.32Å; F384-I415 HydrophobicContact CE2-CD1 3.5Å; F384-I415 VanDerWaalsContact CE2-CD1 3.5Å; F384-I415 HydrophobicContact CZ-CD1 3.72Å; G413-I415 PolarHBondContact O-N 2.98Å
416G92Very high86.9Confident0 Ų058.2 Ų58.20%029%0.291CS..EExtended strand (participates in β ladder)trans-170.9178175.300000111.9C302 I321C302-G416 CarbonylContact O-C 3.6Å; C302-G416 WeakPolarHBondContact O-CA 3.43Å; I321-G416 PolarHBondContact N-O 2.94Å; I321-G416 PolarHBondContact O-N 3.38Å
417G92.8Very high85.2Confident0 Ų058.2 Ų58.20%030%0.297CS..EExtended strand (participates in β ladder)trans-151.9149.7-179.100000112.4Y301 C302 I319Y301-G417 CarbonylContact C-O 3.58Å; Y301-G417 WeakPolarHBondContact CA-O 3.42Å; C302-G417 PolarHBondContact N-O 2.96Å; C302-G417 PolarHBondContact O-N 3.45Å; C302-G417 VanDerWaalsContact SG-CA 3.57Å; C302-G417 PolarHBondContact SG-N 2.94Å; C302-G417 VanDerWaalsContact SG-N 3.38Å; I319-G417 CarbonylContact O-C 3.57Å; I319-G417 WeakPolarHBondContact O-CA 3.45Å
418I93.6Very high83.4Confident2 Ų256.7 Ų56.71%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-92.9122.5167-60.4172.9000106.8R289 Y290 E318 I319 I321R289-I418 HydrophobicContact CG-CD1 4.11Å; Y290-I418 HydrophobicContact CD2-CG1 4.06Å; E318-I418 WeakPolarHBondContact CA-O 3.36Å; E318-I418 WeakPolarHBondContact CB-O 3.4Å; E318-I418 PolarHBondContact N-O 3.13Å; I319-I418 HydrophobicContact CB-CB 4.4Å; I319-I418 HydrophobicContact CD1-CD1 4.43Å; I319-I418 PolarHBondContact N-O 2.93Å; I319-I418 PolarHBondContact O-N 3.3Å; I321-I418 HydrophobicContact CD1-CD1 4.3Å; I321-I418 HydrophobicContact CD1-CG1 4.36Å
419L93Very high81.3Confident2 Ų261.9 Ų61.91%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-91148.2-176.9-52.2177.4000111K300 C302 A311 A316 V317 Y421 V423 F425K300-L419 HydrophobicContact CB-CB 4.48Å; K300-L419 PolarHBondContact O-N 3.29Å; C302-L419 HydrophobicContact CB-CD1 4.41Å; C302-L419 HydrophobicContact CB-CD2 4.24Å; A311-L419 HydrophobicContact CB-CD2 3.81Å; A316-L419 HydrophobicContact CB-CD2 4.32Å; A316-L419 CarbonylContact O-C 3.59Å; A316-L419 WeakPolarHBondContact O-CA 3.37Å; V317-L419 HydrophobicContact CB-CD2 4.45Å; V317-L419 HydrophobicContact CG2-CD2 3.79Å; L419-Y421 VanDerWaalsContact CB-O 3.31Å; L419-Y421 WeakPolarHBondContact CB-O 3.21Å; L419-V423 HydrophobicContact CD1-CB 4.12Å; L419-V423 HydrophobicContact CD1-CG2 4.11Å; L419-F425 HydrophobicContact CD1-CE2 3.88Å; L419-F425 HydrophobicContact CD1-CZ 3.84Å
420R90.2Very high78.9Confident132 Ų13268.6 Ų68.650%0.49834%0.337SS..SBendtrans-70.5-35.6175.5-63.2175.6-175-154.5-1.6111.7A316 E318 G392A316-R420 PolarHBondContact O-N 3.29Å; E318-R420 HydrophobicContact CB-CG 3.71Å; E318-R420 HydrophobicContact CG-CG 4.37Å; G392-R420 PolarHBondContact O-NH2 3.23Å
421Y88.5Confident76.5Confident117 Ų11767.7 Ų67.746%0.45934%0.336SS..SBendtrans-140.3161.1-17956.1-90.6000109.8A316 L419 V423A316-Y421 HydrophobicContact CB-CE1 3.99Å; A316-Y421 HydrophobicContact CB-CE2 4.06Å; L419-Y421 VanDerWaalsContact CB-O 3.31Å; L419-Y421 WeakPolarHBondContact CB-O 3.21Å; Y421-V423 HydrophobicContact CD2-CG2 3.99Å; Y421-V423 HydrophobicContact CE2-CG2 3.74Å; Y421-V423 PolarHBondContact O-N 3.22Å
422R87.8Confident74Confident168 Ų16868.1 Ų68.163%0.63434%0.34SS*.  trans-68.3128.8179.4179.9172.2178.4168.82.7109.7G299G299-R422 WeakPolarHBondContact O-CA 3.1Å
423V84.2Confident71.6Confident16 Ų1673.9 Ų73.910%0.09737%0.368CS..  trans-117.1137.1173.5-179.70000107.5M314 A316 L419 Y421 F425 M428M314-V423 HydrophobicContact SD-CG1 4.27Å; A316-V423 HydrophobicContact CB-CG2 3.72Å; L419-V423 HydrophobicContact CD1-CB 4.12Å; L419-V423 HydrophobicContact CD1-CG2 4.11Å; Y421-V423 HydrophobicContact CD2-CG2 3.99Å; Y421-V423 HydrophobicContact CE2-CG2 3.74Å; Y421-V423 PolarHBondContact O-N 3.22Å; V423-F425 HydrophobicContact CB-CE1 4.44Å; V423-F425 HydrophobicContact CB-CE2 4.13Å; V423-F425 HydrophobicContact CB-CZ 3.96Å; V423-F425 HydrophobicContact CG1-CD1 4.3Å; V423-F425 HydrophobicContact CG1-CE1 3.94Å; V423-F425 HydrophobicContact CG1-CE2 4.37Å; V423-F425 HydrophobicContact CG1-CZ 3.97Å; V423-M428 HydrophobicContact CG1-CE 4.43Å
424D80Confident69.3Low101 Ų10176.9 Ų76.954%0.5437%0.372SS..  trans-97.9101.7176.5-163.6-11.7000109.3Q426D424-Q426 PolarHBondContact OD1-N 3.22Å
425F72.5Confident67Low28 Ų2884.4 Ų84.412%0.12341%0.412CS..SBendtrans-75.8-29.6-178.7-63.1-76000112C302 D307 A311 L419 V423 G427 M428C302-F425 HydrophobicContact CB-CE1 4.49Å; C302-F425 HydrophobicContact CB-CE2 3.96Å; C302-F425 HydrophobicContact CB-CZ 3.66Å; D307-F425 HydrophobicContact CB-CD1 3.83Å; D307-F425 HydrophobicContact CB-CE1 4Å; D307-F425 HydrophobicContact CB-CG 4.24Å; D307-F425 WeakPolarHBondContact O-CE1 3.49Å; A311-F425 HydrophobicContact CB-CE1 3.92Å; A311-F425 HydrophobicContact CB-CZ 3.89Å; L419-F425 HydrophobicContact CD1-CE2 3.88Å; L419-F425 HydrophobicContact CD1-CZ 3.84Å; V423-F425 HydrophobicContact CB-CE1 4.44Å; V423-F425 HydrophobicContact CB-CE2 4.13Å; V423-F425 HydrophobicContact CB-CZ 3.96Å; V423-F425 HydrophobicContact CG1-CD1 4.3Å; V423-F425 HydrophobicContact CG1-CE1 3.94Å; V423-F425 HydrophobicContact CG1-CE2 4.37Å; V423-F425 HydrophobicContact CG1-CZ 3.97Å; F425-G427 VanDerWaalsContact C-N 3.34Å; F425-G427 PolarHBondContact O-N 2.66Å; F425-M428 PolarHBondContact O-N 2.69Å
426Q63.9Low64.4Low148 Ų14892.4 Ų92.469%0.69245%0.449SS*.Hα-helixtrans-68.8-33.6-178.2-66.6-179.2-11.700112D424 M428D424-Q426 PolarHBondContact OD1-N 3.22Å; Q426-M428 PolarHBondContact O-N 3.45Å
427G54.3Low61.7Low35 Ų35101.3 Ų101.336%0.36149%0.489SS..Hα-helixtrans-69.6-18.5176.200000114.5F425F425-G427 VanDerWaalsContact C-N 3.34Å; F425-G427 PolarHBondContact O-N 2.66Å
428M51.9Low59Low67 Ų67110.4 Ų110.433%0.3353%0.529SS..Hα-helixtrans-93.6-23.9-177.3-69.8179.2-179.400113.7M314 V423 F425 Q426M314-M428 HydrophobicContact CE-CE 3.43Å; M314-M428 VanDerWaalsContact CE-CE 3.43Å; M314-M428 HydrophobicContact CE-SD 3.17Å; M314-M428 WeakPolarHBondContact CE-SD 3.48Å; M314-M428 HydrophobicContact SD-CE 3.67Å; M314-M428 HydrophobicContact SD-SD 4.04Å; V423-M428 HydrophobicContact CG1-CE 4.43Å; F425-M428 PolarHBondContact O-N 2.69Å; Q426-M428 PolarHBondContact O-N 3.45Å
429E46.3Very low56.5Low109 Ų109116.5 Ų116.551%0.50956%0.561SS.*Hα-helixtrans-67-39.9168.6-73.6-178.6153.500110.7Q431 G432E429-Q431 VanDerWaalsContact C-N 3.32Å; E429-Q431 PolarHBondContact O-N 3.31Å; E429-G432 PolarHBondContact O-N 3.49Å
430Y41.4Very low54.3Low178 Ų178123.9 Ų123.970%0.69860%0.6SS**Hα-helixtrans-68.4-23.1178.8-91.7-88.2000115
431Q36.3Very low52.3Low156 Ų156124.9 Ų124.973%0.72962%0.615SS**Hα-helixtrans-84.5-11.1176.9-76.9-176.9-1000113.4E429E429-Q431 VanDerWaalsContact C-N 3.32Å; E429-Q431 PolarHBondContact O-N 3.31Å
432G35.3Very low50.4Low68 Ų68127 Ų12770%0.70163%0.634SS**Hα-helixtrans-92.1-18.7-178.600000114.8E429E429-G432 PolarHBondContact O-N 3.49Å
433E36.1Very low48.3Very low172 Ų172133.2 Ų133.280%0.80466%0.66SS**Hα-helixtrans-109.8-15.4-174.3-70.7-168.9153.100114.7
434D37.1Very low46.5Very low113 Ų113139.1 Ų139.160%0.60469%0.688SS**  trans-125.345-169.6-73.3-25.6000114.7
435D38.1Very low44.7Very low159 Ų159141.1 Ų141.185%0.8570%0.696SS**  trans-93.338.7159.5-88.6-13.8000110.8F437D435-F437 PolarHBondContact O-N 3.25Å; D435-F437 VanDerWaalsContact O-N 3.09Å
436E36.7Very low43.2Very low169 Ų169147.4 Ų147.479%0.7973%0.728SS**  trans-71.399157.2-84.4-167.1174.900108.2F438E436-F438 PolarHBondContact O-N 3.32Å
437F36Very low42Very low187 Ų187147.4 Ų147.482%0.8273%0.73SS**  trans-38.9101.1165.3-127.6-103.1000110.5D435 D439D435-F437 PolarHBondContact O-N 3.25Å; D435-F437 VanDerWaalsContact O-N 3.09Å; F437-D439 VanDerWaalsContact C-N 3.34Å; F437-D439 PolarHBondContact O-N 3.12Å
438F36.4Very low41.2Very low192 Ų192154.4 Ų154.484%0.84275%0.753SS**  trans-69.496164.3-95.3-94.2000107.6E436 L440E436-F438 PolarHBondContact O-N 3.32Å; F438-L440 PolarHBondContact O-N 3.29Å; F438-L440 VanDerWaalsContact O-N 3.07Å
439D40.8Very low40.5Very low129 Ų129160.2 Ų160.269%0.6978%0.781SS**  trans-59.9107.9167-96.4-24.7000108.9F437 D441F437-D439 VanDerWaalsContact C-N 3.34Å; F437-D439 PolarHBondContact O-N 3.12Å; D439-D441 PolarHBondContact O-N 2.93Å
440L47.3Very low40.1Very low158 Ų158163.9 Ų163.983%0.82780%0.801SS**THydrogen-bonded Turntrans-80.219.7-179.5-95.6160.6000113.4F438F438-L440 PolarHBondContact O-N 3.29Å; F438-L440 VanDerWaalsContact O-N 3.07Å
441D48Very low40Very low153 Ų153162.8 Ų162.882%0.81881%0.808SS**THydrogen-bonded Turntrans-93.76.5-175.2-87.2-5.3000114.6D439D439-D441 PolarHBondContact O-N 2.93Å
442D47.5Very low40.3Very low161 Ų161163.3 Ų163.386%0.86182%0.815SS**  trans-118.459.7176.3-102.5-10.6000112.8
443Y43.8Very low40.7Very low299 Ų299172 Ų172100%1.17383%0.825SS**  trans-138.70164-128.9-84.1000114.6

Retrieved 443 of 443 residues in 648.2 ms (Link to these results)

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