A0A060XN24_ONCMY Loading...

Histidine triad nucleotide binding protein 1

AlphaFold DB , UniProt , Accession A0A060XN24, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene hint1, Length 126 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
1M57.9Low75.7Confident113 Ų11370.9 Ų70.956%0.55741%0.409SS*.  0-46.80-76.9-162.4-70.100110.9D3 E4 I5 Q47 G126M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 2.69Å; M1-E4 PolarHBondContact O-N 3.33Å; M1-E4 VanDerWaalsContact O-N 3.12Å; M1-I5 WeakPolarHBondContact O-CG1 3.47Å; M1-I5 PolarHBondContact O-N 3.35Å; M1-Q47 VanDerWaalsContact N-CD 3.32Å; M1-G126 WeakPolarHBondContact CE-OXT 3.45Å; M1-G126 VanDerWaalsContact SD-OXT 3.37Å
2A61.4Low76.2Confident82 Ų8278.3 Ų78.368%0.67844%0.436SS*.Hα-helixtrans-51.9-40.717600000114.2A6A2-A6 PolarHBondContact O-N 3.11Å; A2-A6 VanDerWaalsContact O-N 3.09Å
3D73.9Confident76.7Confident73 Ų7378.6 Ų78.639%0.3944%0.444SS..Hα-helixtrans-67.5-41.9177.8-173.234.9000113M1 A6 K7M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 2.69Å; D3-A6 PolarHBondContact O-N 3.09Å; D3-K7 VanDerWaalsContact CG-CE 3.49Å; D3-K7 VanDerWaalsContact O-CG 3.32Å; D3-K7 WeakPolarHBondContact O-CG 3.49Å; D3-K7 PolarHBondContact O-N 3.18Å; D3-K7 WeakPolarHBondContact OD1-CE 3.47Å; D3-K7 IonicContact OD1-NZ 2.7Å; D3-K7 WeakPolarHBondContact OD2-CE 2.96Å; D3-K7 IonicContact OD2-NZ 3.22Å; D3-K7 PolarHBondContact OD2-NZ 3.24Å
4E74.1Confident76.6Confident27 Ų2777.1 Ų77.113%0.12646%0.455CS..Hα-helixtrans-67.3-37.6177.4-68.5-5611900112.5M1 K7 A8 S107M1-E4 PolarHBondContact O-N 3.33Å; M1-E4 VanDerWaalsContact O-N 3.12Å; E4-K7 PolarHBondContact O-N 3.13Å; E4-K7 IonicContact OE1-NZ 3.96Å; E4-K7 PolarHBondContact OE1-NZ 3.43Å; E4-A8 WeakPolarHBondContact O-CB 3.47Å; E4-A8 PolarHBondContact O-N 2.88Å; E4-S107 WeakPolarHBondContact OE2-CB 3.47Å; E4-S107 PolarHBondContact OE2-OG 3.03Å
5I77.1Confident76.8Confident98 Ų9877.2 Ų77.250%0.50348%0.479SS..Hα-helixtrans-63-46.9174.4-65.3166.9000109.9M1 K7 A8 Q9M1-I5 WeakPolarHBondContact O-CG1 3.47Å; M1-I5 PolarHBondContact O-N 3.35Å; I5-K7 VanDerWaalsContact C-N 3.35Å; I5-K7 PolarHBondContact O-N 2.9Å; I5-A8 PolarHBondContact O-N 3.21Å; I5-Q9 WeakPolarHBondContact O-CG 3.35Å; I5-Q9 PolarHBondContact O-N 3.5Å; I5-Q9 VanDerWaalsContact O-N 3.15Å
6A80.6Confident77.5Confident58 Ų5877.5 Ų77.548%0.47948%0.476SS..Hα-helixtrans-60.8-43.617800000111.8A2 D3 Q9A2-A6 PolarHBondContact O-N 3.11Å; A2-A6 VanDerWaalsContact O-N 3.09Å; D3-A6 PolarHBondContact O-N 3.09Å; A6-Q9 PolarHBondContact O-N 3.31Å
7K81.7Confident78.5Confident67 Ų6774.2 Ų74.229%0.29146%0.456SS..Hα-helixtrans-60.8-43.7174.3-70.7170.5-167.6159.30111.8D3 E4 I5 Q9 V10 A11D3-K7 VanDerWaalsContact CG-CE 3.49Å; D3-K7 VanDerWaalsContact O-CG 3.32Å; D3-K7 WeakPolarHBondContact O-CG 3.49Å; D3-K7 PolarHBondContact O-N 3.18Å; D3-K7 WeakPolarHBondContact OD1-CE 3.47Å; D3-K7 IonicContact OD1-NZ 2.7Å; D3-K7 WeakPolarHBondContact OD2-CE 2.96Å; D3-K7 IonicContact OD2-NZ 3.22Å; D3-K7 PolarHBondContact OD2-NZ 3.24Å; E4-K7 PolarHBondContact O-N 3.13Å; E4-K7 IonicContact OE1-NZ 3.96Å; E4-K7 PolarHBondContact OE1-NZ 3.43Å; I5-K7 VanDerWaalsContact C-N 3.35Å; I5-K7 PolarHBondContact O-N 2.9Å; K7-Q9 VanDerWaalsContact C-N 3.29Å; K7-Q9 PolarHBondContact O-N 3.19Å; K7-V10 WeakPolarHBondContact O-CG2 3.34Å; K7-V10 PolarHBondContact O-N 3.13Å; K7-A11 VanDerWaalsContact O-CB 3.29Å; K7-A11 WeakPolarHBondContact O-CB 3.47Å; K7-A11 PolarHBondContact O-N 3.03Å
8A78.6Confident79.4Confident1 Ų175.2 Ų75.21%0.00846%0.457CS..Hα-helixtrans-62.3-34.7-178.600000113.4E4 I5 V10 G105 Q106E4-A8 WeakPolarHBondContact O-CB 3.47Å; E4-A8 PolarHBondContact O-N 2.88Å; I5-A8 PolarHBondContact O-N 3.21Å; A8-V10 VanDerWaalsContact C-N 3.27Å; A8-V10 PolarHBondContact O-N 3Å; A8-G105 VanDerWaalsContact CB-C 3.4Å; A8-Q106 VanDerWaalsContact CA-O 3.28Å; A8-Q106 WeakPolarHBondContact CA-O 3.47Å; A8-Q106 WeakPolarHBondContact CB-O 3.4Å
9Q81.6Confident80.3Confident123 Ų12372 Ų7258%0.57544%0.436SS*.Hα-helixtrans-69.5-22.4179-66.7-60.6-4600113.8I5 A6 K7I5-Q9 WeakPolarHBondContact O-CG 3.35Å; I5-Q9 PolarHBondContact O-N 3.5Å; I5-Q9 VanDerWaalsContact O-N 3.15Å; A6-Q9 PolarHBondContact O-N 3.31Å; K7-Q9 VanDerWaalsContact C-N 3.29Å; K7-Q9 PolarHBondContact O-N 3.19Å
10V83.3Confident81Confident115 Ų11568.9 Ų68.970%0.69742%0.419SS*.Hα-helixtrans-109.8-12.6-179.3-60.10000113.3K7 A8K7-V10 WeakPolarHBondContact O-CG2 3.34Å; K7-V10 PolarHBondContact O-N 3.13Å; A8-V10 VanDerWaalsContact C-N 3.27Å; A8-V10 PolarHBondContact O-N 3Å
11A82.9Confident81.8Confident23 Ų2369.5 Ų69.519%0.1942%0.416CS..  trans-65.8139179.700000110.4K7 S107 Y109K7-A11 VanDerWaalsContact O-CB 3.29Å; K7-A11 WeakPolarHBondContact O-CB 3.47Å; K7-A11 PolarHBondContact O-N 3.03Å; A11-S107 WeakPolarHBondContact CB-O 3.39Å; A11-Y109 HydrophobicContact CB-CD2 3.81Å; A11-Y109 HydrophobicContact CB-CE2 3.52Å; A11-Y109 VanDerWaalsContact O-CE2 3.25Å; A11-Y109 WeakPolarHBondContact O-CE2 3.32Å
12Q81.4Confident83.6Confident159 Ų15964.8 Ų64.874%0.74339%0.393SS*.  trans-124.3145.9176.9-65.5-165.9-1.900111.4Y109Q12-Y109 VanDerWaalsContact O-CD2 3.32Å; Q12-Y109 WeakPolarHBondContact O-CD2 3.37Å
13P82.8Confident85.3Confident83 Ų8362 Ų6254%0.53937%0.366SS..SBendtrans-61.8139.3167.8-14.924.6000111.8V61 Y109P13-V61 HydrophobicContact CB-CG1 3.99Å; P13-Y109 HydrophobicContact CB-CD1 3.91Å; P13-Y109 HydrophobicContact CB-CE1 4.27Å; P13-Y109 HydrophobicContact CB-CG 4.31Å; P13-Y109 HydrophobicContact CG-CD1 3.67Å; P13-Y109 HydrophobicContact CG-CE1 3.51Å; P13-Y109 HydrophobicContact CG-CG 4.3Å
14G75.6Confident86.4Confident58 Ų5863.8 Ų63.860%0.59837%0.368SS*.  trans120.4155.5168.600000114.6
15G79.1Confident87.5Confident78 Ų7867.2 Ų67.280%0.80438%0.382SS*.SBendtrans77.7-171.7176.200000115.2
16D88.1Confident88.4Confident82 Ų8267.8 Ų67.844%0.43938%0.383SS..  trans-81.8115.6177.3178.643.9000111K21 R24D16-K21 VanDerWaalsContact OD2-CE 3.29Å; D16-K21 WeakPolarHBondContact OD2-CE 3.27Å; D16-K21 WeakPolarHBondContact OD2-CG 3.23Å; D16-R24 IonicContact OD1-CZ 3.97Å; D16-R24 IonicContact OD1-NH1 3.21Å; D16-R24 PolarHBondContact OD1-NH1 2.98Å; D16-R24 IonicContact OD1-NH2 2.73Å; D16-R24 PolarHBondContact OD1-NH2 2.91Å; D16-R24 IonicContact OD2-CZ 3.49Å; D16-R24 IonicContact OD2-NH1 3.71Å; D16-R24 IonicContact OD2-NH2 3.85Å; D16-R24 PolarHBondContact OD2-NH2 3.02Å
17T94.4Very high89.1Confident22 Ų2267.8 Ų67.814%0.13537%0.374CS..  trans-84.5162.7-177.463.20000112F19 G20 K21 V108 H110T17-F19 PolarHBondContact O-N 3.39Å; T17-G20 WeakPolarHBondContact O-CA 3.49Å; T17-G20 PolarHBondContact O-N 3.48Å; T17-G20 PolarHBondContact OG1-N 3.33Å; T17-K21 PolarHBondContact O-N 3.33Å; T17-K21 VanDerWaalsContact O-N 3.1Å; T17-V108 HydrophobicContact CG2-CG1 4.18Å; T17-H110 HydrophobicContact CG2-CB 4.15Å
18I94.2Very high89.8Confident92 Ų9270.8 Ų70.847%0.47240%0.4SS..Hα-helixtrans-54.8-33.9171.5-167.6168.5000112K21 I22 I27 V108I18-K21 WeakPolarHBondContact O-CB 3.48Å; I18-K21 PolarHBondContact O-N 2.98Å; I18-I22 WeakPolarHBondContact O-CG1 3.36Å; I18-I22 PolarHBondContact O-N 3.38Å; I18-I27 HydrophobicContact CD1-CD1 4.18Å; I18-I27 HydrophobicContact CG1-CD1 3.48Å; I18-I27 VanDerWaalsContact CG1-CD1 3.48Å; I18-V108 HydrophobicContact CG2-CG1 4.19Å; I18-V108 HydrophobicContact CG2-CG2 3.95Å
19F96.1Very high90.6Very high14 Ų1472.4 Ų72.46%0.06141%0.413CS..Hα-helixtrans-70.9-35.3174.7-60.2-18.3000112.7T17 K21 I22 I23 F41 L53 V55 V108 H110 H112T17-F19 PolarHBondContact O-N 3.39Å; F19-K21 VanDerWaalsContact C-N 3.29Å; F19-K21 PolarHBondContact O-N 2.89Å; F19-I22 HydrophobicContact CD1-CD1 4.19Å; F19-I22 PolarHBondContact O-N 2.92Å; F19-I23 WeakPolarHBondContact O-CB 3.44Å; F19-I23 WeakPolarHBondContact O-CD1 3.44Å; F19-I23 VanDerWaalsContact O-CG1 3.25Å; F19-I23 WeakPolarHBondContact O-CG1 3.36Å; F19-I23 PolarHBondContact O-N 2.99Å; F19-F41 HydrophobicContact CD1-CE2 4.46Å; F19-F41 AromaticContact CD1-CZ 3.84Å; F19-F41 HydrophobicContact CD1-CZ 3.84Å; F19-F41 HydrophobicContact CE1-CE2 4.38Å; F19-F41 HydrophobicContact CE1-CZ 4.06Å; F19-F41 HydrophobicContact CG-CZ 4.45Å; F19-L53 HydrophobicContact CE1-CD1 3.86Å; F19-L53 HydrophobicContact CE2-CD1 4.49Å; F19-L53 HydrophobicContact CZ-CD1 3.61Å; F19-V55 HydrophobicContact CB-CG1 4.06Å; F19-V55 HydrophobicContact CD2-CG1 4Å; F19-V55 HydrophobicContact CD2-CG2 4.09Å; F19-V55 HydrophobicContact CE2-CG2 4.4Å; F19-V55 HydrophobicContact CG-CG1 4.29Å; F19-V55 HydrophobicContact CG-CG2 4.37Å; F19-V108 HydrophobicContact CD2-CB 4.15Å; F19-V108 HydrophobicContact CD2-CG1 3.66Å; F19-V108 HydrophobicContact CE1-CG2 4.24Å; F19-V108 HydrophobicContact CE2-CB 3.6Å; F19-V108 HydrophobicContact CE2-CG1 3.66Å; F19-V108 HydrophobicContact CE2-CG2 4.06Å; F19-V108 HydrophobicContact CG-CG1 4.11Å; F19-V108 HydrophobicContact CZ-CB 3.87Å; F19-V108 HydrophobicContact CZ-CG1 4.15Å; F19-V108 HydrophobicContact CZ-CG2 3.78Å; F19-H110 HydrophobicContact CB-CB 4.43Å; F19-H110 HydrophobicContact CD2-CB 4Å; F19-H112 HydrophobicContact CD2-CB 4.48Å; F19-H112 HydrophobicContact CE2-CB 3.85Å; F19-H112 AromaticContact CE2-CE1 3.94Å; F19-H112 AromaticContact CE2-CG 3.59Å; F19-H112 AromaticContact CE2-ND1 3.49Å; F19-H112 WeakPolarHBondContact CE2-ND1 3.47Å
20G96Very high91.4Very high9 Ų973.3 Ų73.39%0.09342%0.415CS..Hα-helixtrans-55.4-45.8169.200000111.7T17 I22 I23 R24T17-G20 WeakPolarHBondContact O-CA 3.49Å; T17-G20 PolarHBondContact O-N 3.48Å; T17-G20 PolarHBondContact OG1-N 3.33Å; G20-I22 PolarHBondContact O-N 3.4Å; G20-I23 PolarHBondContact O-N 3.43Å; G20-R24 WeakPolarHBondContact O-CG 3.46Å; G20-R24 PolarHBondContact O-N 3.32Å; G20-R24 PolarHBondContact O-NH1 3.47Å
21K96.4Very high92.1Very high82 Ų8271.2 Ų71.236%0.35740%0.4SS..Hα-helixtrans-62.7-40.4175.8-59.1-174.4177.7-178.50112.9D16 T17 I18 F19 R24 K25 E26 I27D16-K21 VanDerWaalsContact OD2-CE 3.29Å; D16-K21 WeakPolarHBondContact OD2-CE 3.27Å; D16-K21 WeakPolarHBondContact OD2-CG 3.23Å; T17-K21 PolarHBondContact O-N 3.33Å; T17-K21 VanDerWaalsContact O-N 3.1Å; I18-K21 WeakPolarHBondContact O-CB 3.48Å; I18-K21 PolarHBondContact O-N 2.98Å; F19-K21 VanDerWaalsContact C-N 3.29Å; F19-K21 PolarHBondContact O-N 2.89Å; K21-R24 CarbonylContact O-C 3.55Å; K21-R24 PolarHBondContact O-N 3.25Å; K21-K25 PolarHBondContact O-N 3.07Å; K21-K25 VanDerWaalsContact O-N 3.1Å; K21-E26 HydrophobicContact CB-CB 4.22Å; K21-E26 WeakPolarHBondContact CG-OE2 3.4Å; K21-E26 PolarHBondContact O-N 3.33Å; K21-I27 HydrophobicContact CB-CD1 3.93Å; K21-I27 HydrophobicContact CB-CG1 3.85Å
22I96.8Very high92.8Very high14 Ų1471.8 Ų71.87%0.07240%0.399CS..Hα-helixtrans-63.7-45.9174.5-69.2171.4000111I18 F19 G20 R24 K25 I27 A29 I39 F41I18-I22 WeakPolarHBondContact O-CG1 3.36Å; I18-I22 PolarHBondContact O-N 3.38Å; F19-I22 HydrophobicContact CD1-CD1 4.19Å; F19-I22 PolarHBondContact O-N 2.92Å; G20-I22 PolarHBondContact O-N 3.4Å; I22-R24 VanDerWaalsContact C-N 3.28Å; I22-R24 PolarHBondContact O-N 2.99Å; I22-K25 PolarHBondContact O-N 3.32Å; I22-I27 HydrophobicContact CG1-CD1 3.81Å; I22-I27 HydrophobicContact CG1-CG1 3.69Å; I22-A29 HydrophobicContact CD1-CB 4.24Å; I22-A29 HydrophobicContact CG1-CB 4.23Å; I22-A29 HydrophobicContact CG2-CB 3.61Å; I22-I39 HydrophobicContact CG2-CD1 4.37Å; I22-F41 HydrophobicContact CD1-CD2 4.28Å; I22-F41 HydrophobicContact CD1-CE1 4.48Å; I22-F41 HydrophobicContact CD1-CE2 3.64Å; I22-F41 HydrophobicContact CD1-CZ 3.76Å; I22-F41 HydrophobicContact CG2-CD1 4.04Å; I22-F41 HydrophobicContact CG2-CE1 3.96Å; I22-F41 HydrophobicContact CG2-CG 4.43Å; I22-F41 HydrophobicContact CG2-CZ 4.3Å
23I96.8Very high93.6Very high23 Ų2366.9 Ų66.912%0.11838%0.376CS..Hα-helixtrans-60.2-40.8179.5-71.7160.5000110.5F19 G20 K25 I39 V55 P56 R57 H110F19-I23 WeakPolarHBondContact O-CB 3.44Å; F19-I23 WeakPolarHBondContact O-CD1 3.44Å; F19-I23 VanDerWaalsContact O-CG1 3.25Å; F19-I23 WeakPolarHBondContact O-CG1 3.36Å; F19-I23 PolarHBondContact O-N 2.99Å; G20-I23 PolarHBondContact O-N 3.43Å; I23-K25 VanDerWaalsContact C-N 3.26Å; I23-K25 PolarHBondContact O-N 3.01Å; I23-I39 HydrophobicContact CG1-CG2 3.81Å; I23-V55 HydrophobicContact CD1-CG1 4.26Å; I23-P56 WeakPolarHBondContact CD1-O 3.09Å; I23-R57 HydrophobicContact CG2-CG 4.27Å; I23-H110 VanDerWaalsContact CD1-CE1 3.5Å; I23-H110 WeakPolarHBondContact CD1-CE1 3.06Å
24R96.8Very high94.3Very high112 Ų11266.5 Ų66.542%0.42337%0.367SS..THydrogen-bonded Turntrans-81.32.3176.2-64.6-170.9-53.3-81.5-11.3114.5D16 G20 K21 I22 E26D16-R24 IonicContact OD1-CZ 3.97Å; D16-R24 IonicContact OD1-NH1 3.21Å; D16-R24 PolarHBondContact OD1-NH1 2.98Å; D16-R24 IonicContact OD1-NH2 2.73Å; D16-R24 PolarHBondContact OD1-NH2 2.91Å; D16-R24 IonicContact OD2-CZ 3.49Å; D16-R24 IonicContact OD2-NH1 3.71Å; D16-R24 IonicContact OD2-NH2 3.85Å; D16-R24 PolarHBondContact OD2-NH2 3.02Å; G20-R24 WeakPolarHBondContact O-CG 3.46Å; G20-R24 PolarHBondContact O-N 3.32Å; G20-R24 PolarHBondContact O-NH1 3.47Å; K21-R24 CarbonylContact O-C 3.55Å; K21-R24 PolarHBondContact O-N 3.25Å; I22-R24 VanDerWaalsContact C-N 3.28Å; I22-R24 PolarHBondContact O-N 2.99Å; R24-E26 HydrophobicContact CB-CG 4.11Å; R24-E26 IonicContact CZ-OE1 3.52Å; R24-E26 IonicContact CZ-OE2 2.66Å; R24-E26 IonicContact NE-OE1 3.43Å; R24-E26 PolarHBondContact NE-OE1 3.1Å; R24-E26 IonicContact NE-OE2 3.84Å; R24-E26 IonicContact NH2-OE1 2.83Å; R24-E26 PolarHBondContact NH2-OE1 3.2Å; R24-E26 IonicContact NH2-OE2 2.75Å; R24-E26 PolarHBondContact NH2-OE2 2.86Å; R24-E26 PolarHBondContact O-N 3.25Å
25K96.4Very high95.4Very high99 Ų9965.4 Ų65.443%0.4335%0.347SS..THydrogen-bonded Turntrans60.322.9-179.4-44.3-61.2174.5-175.40114.4K21 I22 I23 I27 I31 E34K21-K25 PolarHBondContact O-N 3.07Å; K21-K25 VanDerWaalsContact O-N 3.1Å; I22-K25 PolarHBondContact O-N 3.32Å; I23-K25 VanDerWaalsContact C-N 3.26Å; I23-K25 PolarHBondContact O-N 3.01Å; K25-I27 VanDerWaalsContact C-N 3.29Å; K25-I31 HydrophobicContact CD-CD1 4.43Å; K25-E34 VanDerWaalsContact CE-OE1 3.27Å; K25-E34 WeakPolarHBondContact CE-OE1 3.41Å; K25-E34 IonicContact NZ-OE1 2.89Å; K25-E34 PolarHBondContact NZ-OE1 3.38Å; K25-E34 IonicContact NZ-OE2 2.94Å; K25-E34 PolarHBondContact NZ-OE2 2.95Å
26E97.1Very high96.3Very high110 Ų11068 Ų6851%0.51434%0.342SS..SBendtrans-73-27.3176.4-68.1170.4-169.100111.7K21 R24K21-E26 HydrophobicContact CB-CB 4.22Å; K21-E26 WeakPolarHBondContact CG-OE2 3.4Å; K21-E26 PolarHBondContact O-N 3.33Å; R24-E26 HydrophobicContact CB-CG 4.11Å; R24-E26 IonicContact CZ-OE1 3.52Å; R24-E26 IonicContact CZ-OE2 2.66Å; R24-E26 IonicContact NE-OE1 3.43Å; R24-E26 PolarHBondContact NE-OE1 3.1Å; R24-E26 IonicContact NE-OE2 3.84Å; R24-E26 IonicContact NH2-OE1 2.83Å; R24-E26 PolarHBondContact NH2-OE1 3.2Å; R24-E26 IonicContact NH2-OE2 2.75Å; R24-E26 PolarHBondContact NH2-OE2 2.86Å; R24-E26 PolarHBondContact O-N 3.25Å
27I95.6Very high96.8Very high58 Ų5867.3 Ų67.330%0.29734%0.337SS..SBendtrans-129.2147.917462.5175.6000110.3I18 K21 I22 K25I18-I27 HydrophobicContact CD1-CD1 4.18Å; I18-I27 HydrophobicContact CG1-CD1 3.48Å; I18-I27 VanDerWaalsContact CG1-CD1 3.48Å; K21-I27 HydrophobicContact CB-CD1 3.93Å; K21-I27 HydrophobicContact CB-CG1 3.85Å; I22-I27 HydrophobicContact CG1-CD1 3.81Å; I22-I27 HydrophobicContact CG1-CG1 3.69Å; K25-I27 VanDerWaalsContact C-N 3.29Å
28P95.1Very high97Very high130 Ų13066.3 Ų66.384%0.84433%0.33SS*.  trans-71.7145-177.229.4-35.1000111.7
29A96.9Very high97.2Very high34 Ų3461.9 Ų61.928%0.28131%0.308SS..  trans-141.1150.4167.200000109.2I22 I31 F41I22-A29 HydrophobicContact CD1-CB 4.24Å; I22-A29 HydrophobicContact CG1-CB 4.23Å; I22-A29 HydrophobicContact CG2-CB 3.61Å; A29-I31 PolarHBondContact O-N 3.48Å; A29-I31 VanDerWaalsContact O-N 3.1Å; A29-F41 HydrophobicContact CB-CB 4.08Å; A29-F41 HydrophobicContact CB-CD2 4.18Å; A29-F41 HydrophobicContact CB-CG 4.14Å
30K97.4Very high97.3Very high142 Ų14261.2 Ų61.262%0.61731%0.305SS*.  trans-82.888.9173.9-170.9-175.1166.8-161.70109F41 H42K30-F41 VanDerWaalsContact O-CA 3.3Å; K30-F41 WeakPolarHBondContact O-CA 3.26Å; K30-F41 WeakPolarHBondContact O-CB 3.35Å; K30-H42 HydrophobicContact CB-CB 4.25Å; K30-H42 WeakPolarHBondContact CD-CD2 3.35Å; K30-H42 WeakPolarHBondContact CE-NE2 3.5Å; K30-H42 PolarHBondContact NZ-NE2 2.84Å; K30-H42 PolarHBondContact O-CD2 3.07Å; K30-H42 PolarHBondContact O-N 2.99Å
31I97.9Very high97.5Very high72 Ų7261.1 Ų61.137%0.36930%0.302SS..EExtended strand (participates in β ladder)trans-72.7137.6-174.6-60.4163.1000110.5K25 A29 E34 I39K25-I31 HydrophobicContact CD-CD1 4.43Å; A29-I31 PolarHBondContact O-N 3.48Å; A29-I31 VanDerWaalsContact O-N 3.1Å; I31-E34 HydrophobicContact CG2-CB 4.31Å; I31-I39 HydrophobicContact CD1-CD1 4.12Å; I31-I39 HydrophobicContact CG1-CD1 4.06Å; I31-I39 HydrophobicContact CG2-CD1 4.47Å; I31-I39 HydrophobicContact CG2-CG1 4.29Å
32L97.3Very high97.6Very high35 Ų3559.1 Ų59.118%0.18329%0.294CS..EExtended strand (participates in β ladder)trans-107.4-38177.2-70.2167.7000111.9A40 H42 F52 I88L32-A40 HydrophobicContact CB-CB 4.34Å; L32-A40 PolarHBondContact N-O 2.97Å; L32-H42 WeakPolarHBondContact CD2-NE2 3.34Å; L32-F52 HydrophobicContact CD1-CB 3.5Å; L32-F52 HydrophobicContact CD1-CD1 4.08Å; L32-F52 HydrophobicContact CD1-CD2 3.98Å; L32-F52 HydrophobicContact CD1-CG 3.62Å; L32-I88 HydrophobicContact CD1-CD1 3.37Å; L32-I88 HydrophobicContact CD2-CD1 3.43Å; L32-I88 VanDerWaalsContact CD2-CD1 3.43Å; L32-I88 HydrophobicContact CD2-CG1 4.04Å; L32-I88 HydrophobicContact CG-CD1 3.93Å
33F98.5Very high97.6Very high55 Ų5559.3 Ų59.324%0.24130%0.295CS..EExtended strand (participates in β ladder)trans-154.5147.8-176.8175.1-89.4000109.4D35 A40 V80 C84F33-D35 HydrophobicContact CE1-CB 3.9Å; F33-D35 VanDerWaalsContact CE1-CG 3.48Å; F33-D35 WeakPolarHBondContact CE1-OD2 3.47Å; F33-D35 HydrophobicContact CZ-CB 3.84Å; F33-D35 VanDerWaalsContact CZ-OD2 3.23Å; F33-D35 WeakPolarHBondContact CZ-OD2 3.23Å; F33-A40 HydrophobicContact CB-CB 4.02Å; F33-A40 PolarHBondContact N-O 3.31Å; F33-A40 PolarHBondContact O-N 2.77Å; F33-V80 HydrophobicContact CD1-CB 4.48Å; F33-V80 HydrophobicContact CD1-CG1 3.42Å; F33-V80 VanDerWaalsContact CD1-CG1 3.42Å; F33-V80 HydrophobicContact CD1-CG2 4.22Å; F33-V80 HydrophobicContact CE1-CB 4.36Å; F33-V80 HydrophobicContact CE1-CG1 3.74Å; F33-V80 HydrophobicContact CE1-CG2 3.63Å; F33-V80 HydrophobicContact CG-CG1 4.05Å; F33-V80 HydrophobicContact CZ-CG2 4.05Å; F33-C84 WeakPolarHBondContact CB-SG 3.42Å
34E98.3Very high97.5Very high76 Ų7664.7 Ų64.736%0.35533%0.328SS..EExtended strand (participates in β ladder)trans-154.1130.7175.9-174.7166.5-165.400110K25 I31 I39 R57K25-E34 VanDerWaalsContact CE-OE1 3.27Å; K25-E34 WeakPolarHBondContact CE-OE1 3.41Å; K25-E34 IonicContact NZ-OE1 2.89Å; K25-E34 PolarHBondContact NZ-OE1 3.38Å; K25-E34 IonicContact NZ-OE2 2.94Å; K25-E34 PolarHBondContact NZ-OE2 2.95Å; I31-E34 HydrophobicContact CG2-CB 4.31Å; E34-I39 HydrophobicContact CB-CG1 4.28Å; E34-I39 HydrophobicContact CG-CD1 4.46Å; E34-I39 HydrophobicContact CG-CG1 4.26Å; E34-R57 VanDerWaalsContact CD-NH2 3.28Å; E34-R57 IonicContact OE1-CZ 2.93Å; E34-R57 IonicContact OE1-NH1 3.06Å; E34-R57 IonicContact OE1-NH2 2.61Å; E34-R57 PolarHBondContact OE1-NH2 2.61Å
35D98.5Very high97.3Very high34 Ų3461.4 Ų61.418%0.18232%0.321CS..  trans-136.1-165.417065.118.5000110.9F33 Q37 C38 R57 H76F33-D35 HydrophobicContact CE1-CB 3.9Å; F33-D35 VanDerWaalsContact CE1-CG 3.48Å; F33-D35 WeakPolarHBondContact CE1-OD2 3.47Å; F33-D35 HydrophobicContact CZ-CB 3.84Å; F33-D35 VanDerWaalsContact CZ-OD2 3.23Å; F33-D35 WeakPolarHBondContact CZ-OD2 3.23Å; D35-Q37 VanDerWaalsContact C-N 3.28Å; D35-Q37 PolarHBondContact O-N 2.69Å; D35-Q37 WeakPolarHBondContact OD1-CA 3.18Å; D35-Q37 PolarHBondContact OD1-N 2.87Å; D35-C38 PolarHBondContact N-O 3.46Å; D35-C38 PolarHBondContact OD1-N 3.45Å; D35-R57 VanDerWaalsContact O-CZ 3.25Å; D35-R57 PolarHBondContact O-NE 2.93Å; D35-R57 PolarHBondContact O-NH2 2.91Å; D35-H76 IonicContact OD1-NE2 3.62Å; D35-H76 IonicContact OD2-CD2 3.95Å; D35-H76 IonicContact OD2-CE1 3.19Å; D35-H76 PolarHBondContact OD2-CE1 2.81Å; D35-H76 IonicContact OD2-NE2 2.69Å; D35-H76 PolarHBondContact OD2-NE2 3.28Å
36D98.1Very high97.2Very high132 Ų13260.5 Ų60.571%0.70633%0.325SS*.SBendtrans-73-17179.363.3-49.8000113.5R57D36-R57 WeakPolarHBondContact O-CD 3.25Å
37Q98.4Very high97.2Very high69 Ų6957.8 Ų57.832%0.32231%0.312SS..SBendtrans-106.4-35.7-174.5-59.4-166.9-85.900113D35 P56 R57 L73 H76D35-Q37 VanDerWaalsContact C-N 3.28Å; D35-Q37 PolarHBondContact O-N 2.69Å; D35-Q37 WeakPolarHBondContact OD1-CA 3.18Å; D35-Q37 PolarHBondContact OD1-N 2.87Å; Q37-P56 CarbonylContact O-C 3.08Å; Q37-P56 WeakPolarHBondContact O-CA 3.32Å; Q37-R57 PolarHBondContact O-N 3.16Å; Q37-L73 HydrophobicContact CB-CD1 3.93Å; Q37-H76 PolarHBondContact OE1-CD2 3.5Å
38C98.6Very high97.2Very high0 Ų055.4 Ų55.40%030%0.302CS..EExtended strand (participates in β ladder)trans-152.4169.5-174.571.50000113.5D35 V54 V55 M77D35-C38 PolarHBondContact N-O 3.46Å; D35-C38 PolarHBondContact OD1-N 3.45Å; C38-V54 HydrophobicContact CB-CG1 4.4Å; C38-V55 CarbonylContact C-O 3.55Å; C38-V55 VanDerWaalsContact CA-O 3.26Å; C38-V55 WeakPolarHBondContact CA-O 3.09Å; C38-V55 VanDerWaalsContact CB-O 3.25Å; C38-V55 WeakPolarHBondContact CB-O 3.35Å; C38-M77 HydrophobicContact CB-CG 4.41Å
39I98.8Very high97.4Very high0 Ų054 Ų540%029%0.292CS..EExtended strand (participates in β ladder)trans-130.8141.2173.8-168.8173.1000109.2I22 I23 I31 E34 F41 V55I22-I39 HydrophobicContact CG2-CD1 4.37Å; I23-I39 HydrophobicContact CG1-CG2 3.81Å; I31-I39 HydrophobicContact CD1-CD1 4.12Å; I31-I39 HydrophobicContact CG1-CD1 4.06Å; I31-I39 HydrophobicContact CG2-CD1 4.47Å; I31-I39 HydrophobicContact CG2-CG1 4.29Å; E34-I39 HydrophobicContact CB-CG1 4.28Å; E34-I39 HydrophobicContact CG-CD1 4.46Å; E34-I39 HydrophobicContact CG-CG1 4.26Å; I39-F41 HydrophobicContact CG1-CD1 4.27Å; I39-F41 HydrophobicContact CG2-CD1 4.04Å; I39-F41 HydrophobicContact CG2-CE1 3.97Å; I39-V55 HydrophobicContact CG2-CB 4.24Å; I39-V55 PolarHBondContact N-O 2.99Å; I39-V55 PolarHBondContact O-N 3.01Å
40A98.8Very high97.4Very high0 Ų053.2 Ų53.20%028%0.284CS..EExtended strand (participates in β ladder)trans-117.3133.6170.200000110.8L32 F33 F52 L53 V54 V80L32-A40 HydrophobicContact CB-CB 4.34Å; L32-A40 PolarHBondContact N-O 2.97Å; F33-A40 HydrophobicContact CB-CB 4.02Å; F33-A40 PolarHBondContact N-O 3.31Å; F33-A40 PolarHBondContact O-N 2.77Å; A40-F52 HydrophobicContact CB-CD2 4.42Å; A40-L53 CarbonylContact C-O 3.54Å; A40-L53 WeakPolarHBondContact CA-O 3.41Å; A40-V54 HydrophobicContact CB-CG2 4.06Å; A40-V80 HydrophobicContact CB-CG1 4.42Å
41F98.6Very high97.5Very high6 Ų646.7 Ų46.73%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-151.4153.8-178.556.1-89.9000111.3F19 I22 A29 K30 I39 F52 L53 V55F19-F41 HydrophobicContact CD1-CE2 4.46Å; F19-F41 AromaticContact CD1-CZ 3.84Å; F19-F41 HydrophobicContact CD1-CZ 3.84Å; F19-F41 HydrophobicContact CE1-CE2 4.38Å; F19-F41 HydrophobicContact CE1-CZ 4.06Å; F19-F41 HydrophobicContact CG-CZ 4.45Å; I22-F41 HydrophobicContact CD1-CD2 4.28Å; I22-F41 HydrophobicContact CD1-CE1 4.48Å; I22-F41 HydrophobicContact CD1-CE2 3.64Å; I22-F41 HydrophobicContact CD1-CZ 3.76Å; I22-F41 HydrophobicContact CG2-CD1 4.04Å; I22-F41 HydrophobicContact CG2-CE1 3.96Å; I22-F41 HydrophobicContact CG2-CG 4.43Å; I22-F41 HydrophobicContact CG2-CZ 4.3Å; A29-F41 HydrophobicContact CB-CB 4.08Å; A29-F41 HydrophobicContact CB-CD2 4.18Å; A29-F41 HydrophobicContact CB-CG 4.14Å; K30-F41 VanDerWaalsContact O-CA 3.3Å; K30-F41 WeakPolarHBondContact O-CA 3.26Å; K30-F41 WeakPolarHBondContact O-CB 3.35Å; I39-F41 HydrophobicContact CG1-CD1 4.27Å; I39-F41 HydrophobicContact CG2-CD1 4.04Å; I39-F41 HydrophobicContact CG2-CE1 3.97Å; F41-F52 CarbonylContact O-C 3.59Å; F41-F52 WeakPolarHBondContact O-CA 3.3Å; F41-F52 VanDerWaalsContact O-CB 3.3Å; F41-F52 WeakPolarHBondContact O-CB 3.32Å; F41-L53 HydrophobicContact CE2-CB 4.31Å; F41-L53 HydrophobicContact CE2-CD1 3.97Å; F41-L53 HydrophobicContact CE2-CG 4.48Å; F41-L53 HydrophobicContact CZ-CB 4.28Å; F41-L53 HydrophobicContact CZ-CD1 4.21Å; F41-L53 PolarHBondContact N-O 3.35Å; F41-L53 PolarHBondContact O-N 3.11Å; F41-V55 HydrophobicContact CE1-CB 4.27Å; F41-V55 HydrophobicContact CE1-CG2 3.64Å; F41-V55 HydrophobicContact CZ-CG2 3.82Å
42H98.3Very high97.5Very high41 Ų4143.3 Ų43.319%0.1924%0.239CC..EExtended strand (participates in β ladder)trans-62.7139178.6-72.7-88.1000111.9K30 L32K30-H42 HydrophobicContact CB-CB 4.25Å; K30-H42 WeakPolarHBondContact CD-CD2 3.35Å; K30-H42 WeakPolarHBondContact CE-NE2 3.5Å; K30-H42 PolarHBondContact NZ-NE2 2.84Å; K30-H42 PolarHBondContact O-CD2 3.07Å; K30-H42 PolarHBondContact O-N 2.99Å; L32-H42 WeakPolarHBondContact CD2-NE2 3.34Å
43D97.2Very high97.6Very high17 Ų1741.9 Ų41.99%0.09123%0.231CC..  trans-68.7136.8171.8-167-60.9000109.5T45 H51 L53D43-T45 VanDerWaalsContact C-N 3.29Å; D43-T45 VanDerWaalsContact OD1-C 3.24Å; D43-T45 WeakPolarHBondContact OD1-CA 3.44Å; D43-T45 PolarHBondContact OD1-N 3.13Å; D43-H51 HydrophobicContact CB-CB 4.23Å; D43-H51 WeakPolarHBondContact CB-ND1 3.33Å; D43-H51 VanDerWaalsContact CG-CE1 3.48Å; D43-H51 PolarHBondContact N-O 2.95Å; D43-H51 VanDerWaalsContact N-O 3.08Å; D43-H51 IonicContact OD1-ND1 3.7Å; D43-H51 IonicContact OD2-CE1 2.71Å; D43-H51 PolarHBondContact OD2-CE1 2.95Å; D43-H51 IonicContact OD2-ND1 2.87Å; D43-H51 PolarHBondContact OD2-ND1 3.48Å; D43-H51 IonicContact OD2-NE2 3.53Å; D43-L53 HydrophobicContact CB-CG 4.34Å
44V94.4Very high97.6Very high136 Ų13639.3 Ų39.382%0.82422%0.22SC*.SBendtrans-76.2-18.8-178.6-61.50000112.7P46V44-P46 VanDerWaalsContact C-CD 3.46Å; V44-P46 WeakPolarHBondContact O-CD 3.48Å
45T93.2Very high97.6Very high44 Ų4435.7 Ų35.727%0.2720%0.203SC..SBendtrans-124.366.3178.6-46.40000109.4D43 Q47D43-T45 VanDerWaalsContact C-N 3.29Å; D43-T45 VanDerWaalsContact OD1-C 3.24Å; D43-T45 WeakPolarHBondContact OD1-CA 3.44Å; D43-T45 PolarHBondContact OD1-N 3.13Å; T45-Q47 PolarHBondContact O-N 2.83Å; T45-Q47 PolarHBondContact O-NE2 3.28Å
46P95.2Very high97.6Very high79 Ų7934 Ų3451%0.51319%0.194SC..  trans-61.9135.7-170.125.9-35.6000113.1V44 H51V44-P46 VanDerWaalsContact C-CD 3.46Å; V44-P46 WeakPolarHBondContact O-CD 3.48Å; P46-H51 HydrophobicContact CB-CB 3.81Å
47Q95.8Very high97.6Very high53 Ų5331.6 Ų31.625%0.24818%0.175CC..SBendtrans-102.4-1.3178.6-57.9-55.2-5700113.1M1 T45 H51 M116 R119M1-Q47 VanDerWaalsContact N-CD 3.32Å; T45-Q47 PolarHBondContact O-N 2.83Å; T45-Q47 PolarHBondContact O-NE2 3.28Å; Q47-H51 PolarHBondContact N-ND1 3.09Å; Q47-M116 HydrophobicContact CB-SD 3.88Å; Q47-R119 PolarHBondContact O-NE 3.09Å; Q47-R119 PolarHBondContact O-NH2 3.34Å
48A97.1Very high97.6Very high9 Ų932.5 Ų32.57%0.07418%0.178CC..SBendtrans-149.8162.5174.800000108.9T50 M116 G117 R119A48-T50 CarbonylContact O-C 3.55Å; A48-T50 PolarHBondContact O-N 3.36Å; A48-T50 VanDerWaalsContact O-N 3.11Å; A48-M116 HydrophobicContact CB-CB 4.09Å; A48-M116 HydrophobicContact CB-CG 4.39Å; A48-G117 WeakPolarHBondContact CB-O 3.37Å; A48-R119 HydrophobicContact CB-CG 4.29Å
49P97.7Very high97.4Very high99 Ų9937.2 Ų37.264%0.64321%0.208SC*.SBendtrans-52-35.1178.4-29.737.4000113.3G117 R119P49-G117 WeakPolarHBondContact CD-O 3.32Å; P49-R119 HydrophobicContact CG-CB 4.25Å; P49-R119 HydrophobicContact CG-CG 4.44Å
50T98.1Very high97.4Very high19 Ų1937.6 Ų37.612%0.11721%0.21CC..EExtended strand (participates in β ladder)trans-114.5117.5163.4-54.50000108.8A48 F52 I88 L90 M116 G117A48-T50 CarbonylContact O-C 3.55Å; A48-T50 PolarHBondContact O-N 3.36Å; A48-T50 VanDerWaalsContact O-N 3.11Å; T50-F52 HydrophobicContact CG2-CD1 3.96Å; T50-F52 HydrophobicContact CG2-CE1 4.29Å; T50-I88 HydrophobicContact CG2-CG2 3.72Å; T50-L90 HydrophobicContact CG2-CD1 3.87Å; T50-L90 HydrophobicContact CG2-CD2 4.36Å; T50-L90 HydrophobicContact CG2-CG 4.36Å; T50-M116 WeakPolarHBondContact O-CA 3.39Å; T50-G117 PolarHBondContact N-O 2.89Å; T50-G117 VanDerWaalsContact N-O 3.09Å; T50-G117 PolarHBondContact O-N 2.71Å
51H98.6Very high97.3Very high5 Ų540 Ų402%0.02323%0.225CC..EExtended strand (participates in β ladder)trans-137.4119.6169.9-170.2-159.8000109D43 P46 Q47 H114 V115 M116D43-H51 HydrophobicContact CB-CB 4.23Å; D43-H51 WeakPolarHBondContact CB-ND1 3.33Å; D43-H51 VanDerWaalsContact CG-CE1 3.48Å; D43-H51 PolarHBondContact N-O 2.95Å; D43-H51 VanDerWaalsContact N-O 3.08Å; D43-H51 IonicContact OD1-ND1 3.7Å; D43-H51 IonicContact OD2-CE1 2.71Å; D43-H51 PolarHBondContact OD2-CE1 2.95Å; D43-H51 IonicContact OD2-ND1 2.87Å; D43-H51 PolarHBondContact OD2-ND1 3.48Å; D43-H51 IonicContact OD2-NE2 3.53Å; P46-H51 HydrophobicContact CB-CB 3.81Å; Q47-H51 PolarHBondContact N-ND1 3.09Å; H51-H114 AromaticContact CE1-ND1 3.39Å; H51-H114 PolarHBondContact CE1-ND1 3.2Å; H51-H114 AromaticContact NE2-CG 3.62Å; H51-H114 AromaticContact NE2-ND1 2.9Å; H51-H114 PolarHBondContact NE2-ND1 2.75Å; H51-V115 WeakPolarHBondContact CA-O 3.29Å; H51-M116 HydrophobicContact CB-CG 4.41Å; H51-M116 WeakPolarHBondContact CD2-CG 3.29Å
52F98.7Very high97.2Very high0 Ų040.9 Ų40.90%023%0.229CC..EExtended strand (participates in β ladder)trans-141.3161.617568.9-93.1000110.7L32 A40 F41 T50 V54 C84 A85 I88 V115L32-F52 HydrophobicContact CD1-CB 3.5Å; L32-F52 HydrophobicContact CD1-CD1 4.08Å; L32-F52 HydrophobicContact CD1-CD2 3.98Å; L32-F52 HydrophobicContact CD1-CG 3.62Å; A40-F52 HydrophobicContact CB-CD2 4.42Å; F41-F52 CarbonylContact O-C 3.59Å; F41-F52 WeakPolarHBondContact O-CA 3.3Å; F41-F52 VanDerWaalsContact O-CB 3.3Å; F41-F52 WeakPolarHBondContact O-CB 3.32Å; T50-F52 HydrophobicContact CG2-CD1 3.96Å; T50-F52 HydrophobicContact CG2-CE1 4.29Å; F52-V54 HydrophobicContact CD2-CG2 4.29Å; F52-V54 HydrophobicContact CE2-CG2 3.93Å; F52-C84 HydrophobicContact CD2-CB 4.49Å; F52-C84 HydrophobicContact CE1-CB 4.35Å; F52-C84 HydrophobicContact CE2-CB 3.54Å; F52-C84 HydrophobicContact CZ-CB 3.45Å; F52-C84 VanDerWaalsContact CZ-CB 3.45Å; F52-A85 HydrophobicContact CZ-CB 4.44Å; F52-I88 HydrophobicContact CD1-CD1 4.09Å; F52-I88 HydrophobicContact CE1-CD1 4.13Å; F52-V115 HydrophobicContact CD1-CB 3.9Å; F52-V115 HydrophobicContact CD1-CG1 4.31Å; F52-V115 HydrophobicContact CD2-CB 4.04Å; F52-V115 HydrophobicContact CD2-CG2 3.91Å; F52-V115 HydrophobicContact CE1-CB 3.51Å; F52-V115 HydrophobicContact CE1-CG1 3.5Å; F52-V115 VanDerWaalsContact CE1-CG1 3.5Å; F52-V115 HydrophobicContact CE1-CG2 4.18Å; F52-V115 HydrophobicContact CE2-CB 3.66Å; F52-V115 HydrophobicContact CE2-CG1 4.2Å; F52-V115 HydrophobicContact CE2-CG2 3.36Å; F52-V115 HydrophobicContact CG-CB 4.16Å; F52-V115 HydrophobicContact CZ-CB 3.38Å; F52-V115 HydrophobicContact CZ-CG1 3.43Å; F52-V115 VanDerWaalsContact CZ-CG1 3.43Å; F52-V115 HydrophobicContact CZ-CG2 3.52Å; F52-V115 PolarHBondContact N-O 3.2Å; F52-V115 VanDerWaalsContact N-O 3.13Å; F52-V115 PolarHBondContact O-N 3.37Å
53L98.8Very high97.2Very high6 Ų642.6 Ų42.63%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-111144.4-179.4-53.6-176.8000109.5F19 A40 F41 D43 V55 I113 H114F19-L53 HydrophobicContact CE1-CD1 3.86Å; F19-L53 HydrophobicContact CE2-CD1 4.49Å; F19-L53 HydrophobicContact CZ-CD1 3.61Å; A40-L53 CarbonylContact C-O 3.54Å; A40-L53 WeakPolarHBondContact CA-O 3.41Å; F41-L53 HydrophobicContact CE2-CB 4.31Å; F41-L53 HydrophobicContact CE2-CD1 3.97Å; F41-L53 HydrophobicContact CE2-CG 4.48Å; F41-L53 HydrophobicContact CZ-CB 4.28Å; F41-L53 HydrophobicContact CZ-CD1 4.21Å; F41-L53 PolarHBondContact N-O 3.35Å; F41-L53 PolarHBondContact O-N 3.11Å; D43-L53 HydrophobicContact CB-CG 4.34Å; L53-V55 HydrophobicContact CB-CG2 4.15Å; L53-I113 CarbonylContact C-O 3.58Å; L53-I113 VanDerWaalsContact CA-O 3.32Å; L53-I113 WeakPolarHBondContact CA-O 3.32Å; L53-H114 HydrophobicContact CD2-CB 4.35Å; L53-H114 WeakPolarHBondContact CD2-ND1 3.37Å
54V98.8Very high97.2Very high0 Ų045 Ų450%026%0.258CS..EExtended strand (participates in β ladder)trans-112.9122.9163-175.30000107.9C38 A40 F52 M77 V80 A81 H112 I113 V115C38-V54 HydrophobicContact CB-CG1 4.4Å; A40-V54 HydrophobicContact CB-CG2 4.06Å; F52-V54 HydrophobicContact CD2-CG2 4.29Å; F52-V54 HydrophobicContact CE2-CG2 3.93Å; V54-M77 HydrophobicContact CG1-CB 4.04Å; V54-M77 HydrophobicContact CG1-CG 4.24Å; V54-M77 WeakPolarHBondContact O-CE 3.41Å; V54-V80 HydrophobicContact CG1-CB 4.34Å; V54-V80 HydrophobicContact CG1-CG1 4.03Å; V54-V80 HydrophobicContact CG2-CG1 4.39Å; V54-A81 HydrophobicContact CG2-CB 3.93Å; V54-H112 WeakPolarHBondContact O-CA 3.42Å; V54-I113 HydrophobicContact CB-CB 4.4Å; V54-I113 PolarHBondContact N-O 3.24Å; V54-I113 PolarHBondContact O-N 3.1Å; V54-V115 HydrophobicContact CG2-CG2 4.35Å
55V98.6Very high97.4Very high0 Ų045.1 Ų45.10%025%0.247CC..EExtended strand (participates in β ladder)trans-129130.8-172.6-1720000109.2F19 I23 C38 I39 F41 L53 H112F19-V55 HydrophobicContact CB-CG1 4.06Å; F19-V55 HydrophobicContact CD2-CG1 4Å; F19-V55 HydrophobicContact CD2-CG2 4.09Å; F19-V55 HydrophobicContact CE2-CG2 4.4Å; F19-V55 HydrophobicContact CG-CG1 4.29Å; F19-V55 HydrophobicContact CG-CG2 4.37Å; I23-V55 HydrophobicContact CD1-CG1 4.26Å; C38-V55 CarbonylContact C-O 3.55Å; C38-V55 VanDerWaalsContact CA-O 3.26Å; C38-V55 WeakPolarHBondContact CA-O 3.09Å; C38-V55 VanDerWaalsContact CB-O 3.25Å; C38-V55 WeakPolarHBondContact CB-O 3.35Å; I39-V55 HydrophobicContact CG2-CB 4.24Å; I39-V55 PolarHBondContact N-O 2.99Å; I39-V55 PolarHBondContact O-N 3.01Å; F41-V55 HydrophobicContact CE1-CB 4.27Å; F41-V55 HydrophobicContact CE1-CG2 3.64Å; F41-V55 HydrophobicContact CZ-CG2 3.82Å; L53-V55 HydrophobicContact CB-CG2 4.15Å; V55-H112 HydrophobicContact CG2-CB 3.87Å
56P98.5Very high97.6Very high0 Ų044.4 Ų44.40%025%0.246CC..EExtended strand (participates in β ladder)trans-70.9158.4176.529.5-27.8000110.8I23 Q37 K58 L73 M77 H110 I111I23-P56 WeakPolarHBondContact CD1-O 3.09Å; Q37-P56 CarbonylContact O-C 3.08Å; Q37-P56 WeakPolarHBondContact O-CA 3.32Å; P56-K58 WeakPolarHBondContact CG-O 3.26Å; P56-L73 HydrophobicContact CB-CD1 4.1Å; P56-L73 HydrophobicContact CB-CD2 3.89Å; P56-L73 HydrophobicContact CB-CG 4.2Å; P56-M77 HydrophobicContact CB-SD 3.9Å; P56-M77 HydrophobicContact CG-CE 4.27Å; P56-M77 HydrophobicContact CG-SD 3.88Å; P56-H110 PolarHBondContact O-CE1 3.1Å; P56-H110 PolarHBondContact O-NE2 3.46Å; P56-I111 WeakPolarHBondContact CD-O 3.48Å; P56-I111 HydrophobicContact CG-CG2 3.38Å
57R97.9Very high97.7Very high81 Ų8146.8 Ų46.831%0.30625%0.25SC..SBendtrans-75.2-33.1168.5-67.5-169.5-175.2-88.82.6112I23 E34 D35 D36 Q37I23-R57 HydrophobicContact CG2-CG 4.27Å; E34-R57 VanDerWaalsContact CD-NH2 3.28Å; E34-R57 IonicContact OE1-CZ 2.93Å; E34-R57 IonicContact OE1-NH1 3.06Å; E34-R57 IonicContact OE1-NH2 2.61Å; E34-R57 PolarHBondContact OE1-NH2 2.61Å; D35-R57 VanDerWaalsContact O-CZ 3.25Å; D35-R57 PolarHBondContact O-NE 2.93Å; D35-R57 PolarHBondContact O-NH2 2.91Å; D36-R57 WeakPolarHBondContact O-CD 3.25Å; Q37-R57 PolarHBondContact O-N 3.16Å
58K97.3Very high97.9Very high87 Ų8752 Ų5238%0.37828%0.279SS..SBendtrans-66122.9171.7-177.3-177.9172.5-175.70108.3P56 I60 D70 L73 H110P56-K58 WeakPolarHBondContact CG-O 3.26Å; K58-I60 HydrophobicContact CB-CG1 4.44Å; K58-I60 HydrophobicContact CD-CD1 4.15Å; K58-I60 HydrophobicContact CD-CG1 3.89Å; K58-I60 HydrophobicContact CG-CG1 3.94Å; K58-I60 PolarHBondContact O-N 2.87Å; K58-D70 WeakPolarHBondContact CD-OD1 3.36Å; K58-D70 WeakPolarHBondContact CE-OD1 3.45Å; K58-D70 IonicContact NZ-OD1 2.71Å; K58-D70 PolarHBondContact NZ-OD1 3.23Å; K58-D70 IonicContact NZ-OD2 3.88Å; K58-D70 PolarHBondContact NZ-OD2 3.48Å; K58-L73 HydrophobicContact CB-CD2 3.93Å; K58-L73 HydrophobicContact CD-CD2 4.33Å; K58-H110 PolarHBondContact O-NE2 3.11Å
59P96.1Very high97.9Very high99 Ų9955.6 Ų55.664%0.64330%0.304SS*.  trans-77.565.4-175.733.4-36.9000112.1V61P59-V61 PolarHBondContact O-N 2.82Å
60I97.1Very high98Very high8 Ų851.2 Ų51.24%0.04128%0.276CS..  trans-71.4118.8173.4-56.6173.4000107.5K58 Q62 A66 D70 L73 H110 I111K58-I60 HydrophobicContact CB-CG1 4.44Å; K58-I60 HydrophobicContact CD-CD1 4.15Å; K58-I60 HydrophobicContact CD-CG1 3.89Å; K58-I60 HydrophobicContact CG-CG1 3.94Å; K58-I60 PolarHBondContact O-N 2.87Å; I60-Q62 WeakPolarHBondContact CG2-O 3.47Å; I60-Q62 PolarHBondContact O-N 2.9Å; I60-A66 HydrophobicContact CG2-CB 4.26Å; I60-D70 HydrophobicContact CD1-CB 3.97Å; I60-D70 VanDerWaalsContact CD1-CG 3.48Å; I60-L73 HydrophobicContact CD1-CD2 4.04Å; I60-H110 CarbonylContact O-C 3.6Å; I60-H110 WeakPolarHBondContact O-CA 3.36Å; I60-I111 HydrophobicContact CB-CB 4.45Å; I60-I111 HydrophobicContact CB-CG2 3.83Å; I60-I111 HydrophobicContact CG2-CG2 4.29Å; I60-I111 PolarHBondContact O-N 2.77Å
61V96.9Very high98Very high50 Ų5053.4 Ų53.430%0.30330%0.295SS..  trans-62.6-43.5-170.6169.90000112.6P13 P59 Q106 Y109 H110P13-V61 HydrophobicContact CB-CG1 3.99Å; P59-V61 PolarHBondContact O-N 2.82Å; V61-Q106 PolarHBondContact O-NE2 2.84Å; V61-Y109 HydrophobicContact CG1-CD1 3.72Å; V61-Y109 HydrophobicContact CG1-CG 4.4Å; V61-Y109 CarbonylContact O-C 3.56Å; V61-Y109 WeakPolarHBondContact O-CA 3.23Å; V61-H110 PolarHBondContact O-N 3.12Å
62Q96.8Very high98Very high25 Ų2556.9 Ų56.912%0.11733%0.325CS..  trans-164.6166.2-179.464.5-170.329.200109.2I60 S64 K65 A66 D100 Q106I60-Q62 WeakPolarHBondContact CG2-O 3.47Å; I60-Q62 PolarHBondContact O-N 2.9Å; Q62-S64 VanDerWaalsContact C-N 3.34Å; Q62-S64 WeakPolarHBondContact CG-OG 3.27Å; Q62-S64 PolarHBondContact NE2-OG 3.05Å; Q62-S64 PolarHBondContact O-N 2.93Å; Q62-K65 HydrophobicContact CG-CB 4.08Å; Q62-K65 HydrophobicContact CG-CG 3.53Å; Q62-K65 PolarHBondContact O-N 2.71Å; Q62-K65 VanDerWaalsContact O-N 3.09Å; Q62-A66 PolarHBondContact O-N 2.87Å; Q62-D100 WeakPolarHBondContact CB-OD2 3.41Å; Q62-Q106 VanDerWaalsContact CB-OE1 3.26Å
63L98.1Very high98Very high77 Ų7757.7 Ų57.740%0.40333%0.329SS..G310 helixtrans-63.8-39.2-175.6179.563.5000112.3K65 A66 L74 L98 D100 I111L63-K65 PolarHBondContact O-N 3.39Å; L63-A66 HydrophobicContact CD1-CB 4.44Å; L63-A66 WeakPolarHBondContact O-CB 3.32Å; L63-A66 PolarHBondContact O-N 2.82Å; L63-L74 HydrophobicContact CD1-CD1 4.13Å; L63-L74 HydrophobicContact CD1-CD2 4.45Å; L63-L98 HydrophobicContact CB-CD2 3.59Å; L63-L98 HydrophobicContact CD2-CD1 4.42Å; L63-L98 HydrophobicContact CD2-CD2 3.97Å; L63-L98 HydrophobicContact CG-CD2 4.34Å; L63-D100 PolarHBondContact N-OD2 3.15Å; L63-I111 HydrophobicContact CB-CD1 3.97Å; L63-I111 HydrophobicContact CD1-CD1 4.06Å
64S97.9Very high98Very high68 Ų6859.3 Ų59.348%0.47634%0.338SS..G310 helixtrans-67.2-1.4177.257.10000114.2Q62 D100Q62-S64 VanDerWaalsContact C-N 3.34Å; Q62-S64 WeakPolarHBondContact CG-OG 3.27Å; Q62-S64 PolarHBondContact NE2-OG 3.05Å; Q62-S64 PolarHBondContact O-N 2.93Å; S64-D100 WeakPolarHBondContact CB-OD1 3.15Å; S64-D100 PolarHBondContact N-OD2 2.92Å; S64-D100 VanDerWaalsContact OG-CG 3.27Å; S64-D100 PolarHBondContact OG-OD1 2.89Å; S64-D100 PolarHBondContact OG-OD2 2.83Å
65K97.4Very high98Very high138 Ų13861 Ų6160%0.636%0.355SS*.G310 helixtrans-115.63.8172.9-56.9-61.8175.8-168.20113.1Q62 L63Q62-K65 HydrophobicContact CG-CB 4.08Å; Q62-K65 HydrophobicContact CG-CG 3.53Å; Q62-K65 PolarHBondContact O-N 2.71Å; Q62-K65 VanDerWaalsContact O-N 3.09Å; L63-K65 PolarHBondContact O-N 3.39Å
66A98Very high98Very high30 Ų3062.7 Ų62.725%0.24836%0.363CS..  trans-68.4148.7171.600000110.4I60 Q62 L63 D70 L74I60-A66 HydrophobicContact CG2-CB 4.26Å; Q62-A66 PolarHBondContact O-N 2.87Å; L63-A66 HydrophobicContact CD1-CB 4.44Å; L63-A66 WeakPolarHBondContact O-CB 3.32Å; L63-A66 PolarHBondContact O-N 2.82Å; A66-D70 HydrophobicContact CB-CB 4.4Å; A66-L74 HydrophobicContact CB-CD1 4.18Å
67E98.5Very high98Very high128 Ų12862.7 Ų62.760%0.59836%0.363SS*.  trans-103.1163.6175.9-64.2174.5-17400110.6S69 D70E67-S69 PolarHBondContact O-N 2.85Å; E67-S69 VanDerWaalsContact O-N 3.1Å; E67-S69 PolarHBondContact OE2-OG 2.96Å; E67-D70 PolarHBondContact N-OD2 3.06Å; E67-D70 VanDerWaalsContact N-OD2 3.16Å; E67-D70 VanDerWaalsContact O-CB 3.3Å; E67-D70 WeakPolarHBondContact O-CB 3.32Å; E67-D70 PolarHBondContact O-N 2.8Å
68D98.6Very high98.1Very high162 Ų16263.9 Ų63.987%0.86637%0.373SS*.G310 helixtrans-56.8-29174.8-67.9-19.8000112.3D70 A71D68-D70 PolarHBondContact O-N 3.49Å; D68-A71 WeakPolarHBondContact O-CB 3.2Å; D68-A71 PolarHBondContact O-N 3.25Å
69S98.4Very high98.2Very high85 Ų8564 Ų6459%0.59438%0.377SS*.G310 helixtrans-64.1-19.4174.867.80000113.5E67E67-S69 PolarHBondContact O-N 2.85Å; E67-S69 VanDerWaalsContact O-N 3.1Å; E67-S69 PolarHBondContact OE2-OG 2.96Å
70D98.6Very high98.3Very high8 Ų859.3 Ų59.34%0.04335%0.346CS..G310 helixtrans-86.6-5.5179.1-69-49.6000113.7K58 I60 A66 E67 D68 A72 L73 L74K58-D70 WeakPolarHBondContact CD-OD1 3.36Å; K58-D70 WeakPolarHBondContact CE-OD1 3.45Å; K58-D70 IonicContact NZ-OD1 2.71Å; K58-D70 PolarHBondContact NZ-OD1 3.23Å; K58-D70 IonicContact NZ-OD2 3.88Å; K58-D70 PolarHBondContact NZ-OD2 3.48Å; I60-D70 HydrophobicContact CD1-CB 3.97Å; I60-D70 VanDerWaalsContact CD1-CG 3.48Å; A66-D70 HydrophobicContact CB-CB 4.4Å; E67-D70 PolarHBondContact N-OD2 3.06Å; E67-D70 VanDerWaalsContact N-OD2 3.16Å; E67-D70 VanDerWaalsContact O-CB 3.3Å; E67-D70 WeakPolarHBondContact O-CB 3.32Å; E67-D70 PolarHBondContact O-N 2.8Å; D68-D70 PolarHBondContact O-N 3.49Å; D70-A72 VanDerWaalsContact C-N 3.29Å; D70-A72 PolarHBondContact O-N 2.66Å; D70-L73 WeakPolarHBondContact O-CB 3.44Å; D70-L73 PolarHBondContact O-N 2.76Å; D70-L74 HydrophobicContact CB-CD1 4.43Å; D70-L74 HydrophobicContact CB-CG 4.49Å; D70-L74 WeakPolarHBondContact O-CG 3.3Å; D70-L74 PolarHBondContact O-N 3.47Å
71A98.6Very high98.4Very high64 Ų6459 Ų5953%0.52934%0.344SS..Hα-helixtrans-54.4-43-17500000113.2D68 L74 G75D68-A71 WeakPolarHBondContact O-CB 3.2Å; D68-A71 PolarHBondContact O-N 3.25Å; A71-L74 PolarHBondContact O-N 3.1Å; A71-G75 PolarHBondContact O-N 2.75Å
72A98.7Very high98.5Very high79 Ų7961.1 Ų61.165%0.65335%0.35SS*.Hα-helixtrans-65.9-39.6178.300000112.2D70 G75 H76D70-A72 VanDerWaalsContact C-N 3.29Å; D70-A72 PolarHBondContact O-N 2.66Å; A72-G75 PolarHBondContact O-N 2.8Å; A72-H76 WeakPolarHBondContact O-CB 3.3Å; A72-H76 PolarHBondContact O-N 2.99Å
73L98.8Very high98.5Very high17 Ų1765.1 Ų65.19%0.08937%0.367CS..Hα-helixtrans-66.9-44.2177.3174.660.4000111.3Q37 P56 K58 I60 D70 G75 H76 M77Q37-L73 HydrophobicContact CB-CD1 3.93Å; P56-L73 HydrophobicContact CB-CD1 4.1Å; P56-L73 HydrophobicContact CB-CD2 3.89Å; P56-L73 HydrophobicContact CB-CG 4.2Å; K58-L73 HydrophobicContact CB-CD2 3.93Å; K58-L73 HydrophobicContact CD-CD2 4.33Å; I60-L73 HydrophobicContact CD1-CD2 4.04Å; D70-L73 WeakPolarHBondContact O-CB 3.44Å; D70-L73 PolarHBondContact O-N 2.76Å; L73-G75 VanDerWaalsContact C-N 3.34Å; L73-G75 PolarHBondContact O-N 3.41Å; L73-H76 WeakPolarHBondContact O-CB 3.47Å; L73-H76 PolarHBondContact O-N 3.44Å; L73-M77 WeakPolarHBondContact O-CG 3.4Å; L73-M77 PolarHBondContact O-N 3Å
74L98.8Very high98.6Very high40 Ų4061.5 Ų61.521%0.20935%0.348CS..Hα-helixtrans-62-42.8176.8-68172.2000111.5L63 A66 D70 A71 M77 M78 I111L63-L74 HydrophobicContact CD1-CD1 4.13Å; L63-L74 HydrophobicContact CD1-CD2 4.45Å; A66-L74 HydrophobicContact CB-CD1 4.18Å; D70-L74 HydrophobicContact CB-CD1 4.43Å; D70-L74 HydrophobicContact CB-CG 4.49Å; D70-L74 WeakPolarHBondContact O-CG 3.3Å; D70-L74 PolarHBondContact O-N 3.47Å; A71-L74 PolarHBondContact O-N 3.1Å; L74-M77 HydrophobicContact CD2-SD 4.38Å; L74-M77 PolarHBondContact O-N 3.09Å; L74-M78 PolarHBondContact O-N 2.82Å; L74-I111 HydrophobicContact CD2-CD1 3.78Å
75G98.8Very high98.6Very high34 Ų3458.3 Ų58.335%0.35133%0.325SS..Hα-helixtrans-61.6-43.717300000112.4A71 A72 L73 M77 M78 I79A71-G75 PolarHBondContact O-N 2.75Å; A72-G75 PolarHBondContact O-N 2.8Å; L73-G75 VanDerWaalsContact C-N 3.34Å; L73-G75 PolarHBondContact O-N 3.41Å; G75-M77 VanDerWaalsContact C-N 3.34Å; G75-M77 PolarHBondContact O-N 3.47Å; G75-M78 PolarHBondContact O-N 3.38Å; G75-I79 WeakPolarHBondContact O-CG1 3.33Å; G75-I79 PolarHBondContact O-N 3.44Å; G75-I79 VanDerWaalsContact O-N 3.11Å
76H98.9Very high98.6Very high37 Ų3757.8 Ų57.817%0.17133%0.325CS..Hα-helixtrans-58.2-44.8176.1-177.969.8000112.2D35 Q37 A72 L73 M78 I79 V80D35-H76 IonicContact OD1-NE2 3.62Å; D35-H76 IonicContact OD2-CD2 3.95Å; D35-H76 IonicContact OD2-CE1 3.19Å; D35-H76 PolarHBondContact OD2-CE1 2.81Å; D35-H76 IonicContact OD2-NE2 2.69Å; D35-H76 PolarHBondContact OD2-NE2 3.28Å; Q37-H76 PolarHBondContact OE1-CD2 3.5Å; A72-H76 WeakPolarHBondContact O-CB 3.3Å; A72-H76 PolarHBondContact O-N 2.99Å; L73-H76 WeakPolarHBondContact O-CB 3.47Å; L73-H76 PolarHBondContact O-N 3.44Å; H76-M78 VanDerWaalsContact C-N 3.29Å; H76-M78 PolarHBondContact O-N 3.32Å; H76-I79 PolarHBondContact O-N 3.26Å; H76-I79 VanDerWaalsContact O-N 3.09Å; H76-V80 WeakPolarHBondContact O-CG2 3.33Å; H76-V80 PolarHBondContact O-N 2.79Å
77M98.8Very high98.6Very high0 Ų063 Ų630%034%0.344CS..Hα-helixtrans-57.9-39.6176.8-68.6172.763.200112.5C38 V54 P56 L73 L74 G75 V80 A81 I113C38-M77 HydrophobicContact CB-CG 4.41Å; V54-M77 HydrophobicContact CG1-CB 4.04Å; V54-M77 HydrophobicContact CG1-CG 4.24Å; V54-M77 WeakPolarHBondContact O-CE 3.41Å; P56-M77 HydrophobicContact CB-SD 3.9Å; P56-M77 HydrophobicContact CG-CE 4.27Å; P56-M77 HydrophobicContact CG-SD 3.88Å; L73-M77 WeakPolarHBondContact O-CG 3.4Å; L73-M77 PolarHBondContact O-N 3Å; L74-M77 HydrophobicContact CD2-SD 4.38Å; L74-M77 PolarHBondContact O-N 3.09Å; G75-M77 VanDerWaalsContact C-N 3.34Å; G75-M77 PolarHBondContact O-N 3.47Å; M77-V80 PolarHBondContact O-N 3.47Å; M77-A81 WeakPolarHBondContact O-CB 3.48Å; M77-A81 PolarHBondContact O-N 3.43Å; M77-I113 HydrophobicContact CB-CD1 3.76Å; M77-I113 HydrophobicContact CE-CD1 4.04Å; M77-I113 HydrophobicContact CE-CG1 3.98Å
78M98.8Very high98.5Very high106 Ų10659.3 Ų59.352%0.52233%0.328SS..Hα-helixtrans-67.1-38.9176-65.9-178.470.300112.4L74 G75 H76 A81 K82 L96 I113L74-M78 PolarHBondContact O-N 2.82Å; G75-M78 PolarHBondContact O-N 3.38Å; H76-M78 VanDerWaalsContact C-N 3.29Å; H76-M78 PolarHBondContact O-N 3.32Å; M78-A81 WeakPolarHBondContact O-CB 3.49Å; M78-A81 PolarHBondContact O-N 3.41Å; M78-K82 PolarHBondContact O-N 3.03Å; M78-L96 HydrophobicContact CE-CD1 4.47Å; M78-I113 HydrophobicContact CG-CD1 4.14Å
79I98.8Very high98.4Very high90 Ų9054 Ų5446%0.46231%0.311SS..Hα-helixtrans-65.6-42.3176.1-64.8-58.9000110.9G75 H76 K82 K83G75-I79 WeakPolarHBondContact O-CG1 3.33Å; G75-I79 PolarHBondContact O-N 3.44Å; G75-I79 VanDerWaalsContact O-N 3.11Å; H76-I79 PolarHBondContact O-N 3.26Å; H76-I79 VanDerWaalsContact O-N 3.09Å; I79-K82 PolarHBondContact O-N 3.42Å; I79-K83 HydrophobicContact CG2-CD 4.27Å; I79-K83 WeakPolarHBondContact O-CG 3.49Å; I79-K83 PolarHBondContact O-N 3.01Å
80V98.9Very high98.3Very high0 Ų050.6 Ų50.60%029%0.287CS..Hα-helixtrans-62.1-44.9174.2169.30000110.8F33 A40 V54 H76 M77 K82 K83 C84F33-V80 HydrophobicContact CD1-CB 4.48Å; F33-V80 HydrophobicContact CD1-CG1 3.42Å; F33-V80 VanDerWaalsContact CD1-CG1 3.42Å; F33-V80 HydrophobicContact CD1-CG2 4.22Å; F33-V80 HydrophobicContact CE1-CB 4.36Å; F33-V80 HydrophobicContact CE1-CG1 3.74Å; F33-V80 HydrophobicContact CE1-CG2 3.63Å; F33-V80 HydrophobicContact CG-CG1 4.05Å; F33-V80 HydrophobicContact CZ-CG2 4.05Å; A40-V80 HydrophobicContact CB-CG1 4.42Å; V54-V80 HydrophobicContact CG1-CB 4.34Å; V54-V80 HydrophobicContact CG1-CG1 4.03Å; V54-V80 HydrophobicContact CG2-CG1 4.39Å; H76-V80 WeakPolarHBondContact O-CG2 3.33Å; H76-V80 PolarHBondContact O-N 2.79Å; M77-V80 PolarHBondContact O-N 3.47Å; V80-K82 VanDerWaalsContact C-N 3.32Å; V80-K82 PolarHBondContact O-N 2.98Å; V80-K83 PolarHBondContact O-N 3.3Å; V80-K83 VanDerWaalsContact O-N 3.13Å; V80-C84 PolarHBondContact O-N 3.03Å; V80-C84 PolarHBondContact O-SG 3.3Å; V80-C84 VanDerWaalsContact O-SG 3.39Å
81A98.8Very high98.2Very high0 Ų056 Ų560%032%0.322CS..Hα-helixtrans-54.7-46.417500000112.2V54 M77 M78 A85 L96 V115V54-A81 HydrophobicContact CG2-CB 3.93Å; M77-A81 WeakPolarHBondContact O-CB 3.48Å; M77-A81 PolarHBondContact O-N 3.43Å; M78-A81 WeakPolarHBondContact O-CB 3.49Å; M78-A81 PolarHBondContact O-N 3.41Å; A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 2.8Å; A81-L96 HydrophobicContact CB-CD1 4.42Å; A81-L96 HydrophobicContact CB-CD2 3.88Å; A81-V115 HydrophobicContact CB-CG2 3.79Å
82K98.6Very high98.2Very high95 Ų9563 Ų6341%0.41334%0.341SS..Hα-helixtrans-60.2-46.6175.5178-91.4178-166.20112.2M78 I79 V80 A85 E86 Y94M78-K82 PolarHBondContact O-N 3.03Å; I79-K82 PolarHBondContact O-N 3.42Å; V80-K82 VanDerWaalsContact C-N 3.32Å; V80-K82 PolarHBondContact O-N 2.98Å; K82-A85 PolarHBondContact O-N 3.29Å; K82-E86 IonicContact NZ-OE2 2.69Å; K82-E86 PolarHBondContact NZ-OE2 3.33Å; K82-E86 PolarHBondContact O-N 2.87Å; K82-E86 VanDerWaalsContact O-N 3.07Å; K82-Y94 WeakPolarHBondContact CA-OH 3.36Å; K82-Y94 WeakPolarHBondContact CG-OH 3.42Å
83K98.6Very high98.1Very high110 Ų11061.2 Ų61.248%0.47833%0.33SS..Hα-helixtrans-63.5-45-179.5-72.2175.1179.8177.20111.6I79 V80 E86 Q87I79-K83 HydrophobicContact CG2-CD 4.27Å; I79-K83 WeakPolarHBondContact O-CG 3.49Å; I79-K83 PolarHBondContact O-N 3.01Å; V80-K83 PolarHBondContact O-N 3.3Å; V80-K83 VanDerWaalsContact O-N 3.13Å; K83-E86 PolarHBondContact O-N 3.38Å; K83-Q87 WeakPolarHBondContact O-CB 3.16Å; K83-Q87 PolarHBondContact O-N 3.33Å
84C98.6Very high98.1Very high1 Ų164.5 Ų64.51%0.00734%0.342CS..Hα-helixtrans-64.7-39.8177.2-67.70000112.2F33 F52 V80 E86 Q87 I88F33-C84 WeakPolarHBondContact CB-SG 3.42Å; F52-C84 HydrophobicContact CD2-CB 4.49Å; F52-C84 HydrophobicContact CE1-CB 4.35Å; F52-C84 HydrophobicContact CE2-CB 3.54Å; F52-C84 HydrophobicContact CZ-CB 3.45Å; F52-C84 VanDerWaalsContact CZ-CB 3.45Å; V80-C84 PolarHBondContact O-N 3.03Å; V80-C84 PolarHBondContact O-SG 3.3Å; V80-C84 VanDerWaalsContact O-SG 3.39Å; C84-E86 VanDerWaalsContact C-N 3.33Å; C84-E86 PolarHBondContact O-N 3.02Å; C84-Q87 PolarHBondContact O-N 3.28Å; C84-I88 WeakPolarHBondContact O-CB 3.5Å; C84-I88 WeakPolarHBondContact O-CG1 3.35Å; C84-I88 PolarHBondContact O-N 3.43Å
85A98.5Very high98.1Very high0 Ų065.5 Ų65.50%034%0.343CS..Hα-helixtrans-62.7-39.9176.200000112.3F52 A81 K82 G89 L90 Y94 V115F52-A85 HydrophobicContact CZ-CB 4.44Å; A81-A85 WeakPolarHBondContact O-CB 3.4Å; A81-A85 PolarHBondContact O-N 2.8Å; K82-A85 PolarHBondContact O-N 3.29Å; A85-G89 PolarHBondContact O-N 2.85Å; A85-L90 HydrophobicContact CB-CB 4.39Å; A85-L90 HydrophobicContact CB-CD1 4Å; A85-L90 WeakPolarHBondContact O-CB 3.25Å; A85-L90 PolarHBondContact O-N 3.32Å; A85-Y94 HydrophobicContact CB-CD1 3.66Å; A85-Y94 HydrophobicContact CB-CD2 4.46Å; A85-Y94 HydrophobicContact CB-CE1 3.51Å; A85-Y94 HydrophobicContact CB-CE2 4.34Å; A85-Y94 HydrophobicContact CB-CG 4.15Å; A85-V115 HydrophobicContact CB-CG1 4.33Å
86E98Very high98.1Very high127 Ų12766.8 Ų66.859%0.59334%0.341SS*.Hα-helixtrans-63.5-48173.4-177172.6-16800111.4K82 K83 C84 I88 G89K82-E86 IonicContact NZ-OE2 2.69Å; K82-E86 PolarHBondContact NZ-OE2 3.33Å; K82-E86 PolarHBondContact O-N 2.87Å; K82-E86 VanDerWaalsContact O-N 3.07Å; K83-E86 PolarHBondContact O-N 3.38Å; C84-E86 VanDerWaalsContact C-N 3.33Å; C84-E86 PolarHBondContact O-N 3.02Å; E86-I88 VanDerWaalsContact C-N 3.33Å; E86-I88 PolarHBondContact O-N 2.74Å; E86-G89 PolarHBondContact O-N 3.08Å; E86-G89 VanDerWaalsContact O-N 3.13Å
87Q97.3Very high98.1Very high140 Ų14066.9 Ų66.965%0.65434%0.343SS*.Hα-helixtrans-62-35.9-179.6-175.2-179.6-600113.5K83 C84 G89K83-Q87 WeakPolarHBondContact O-CB 3.16Å; K83-Q87 PolarHBondContact O-N 3.33Å; C84-Q87 PolarHBondContact O-N 3.28Å; Q87-G89 VanDerWaalsContact C-N 3.28Å
88I95.9Very high98.1Very high50 Ų5069.5 Ų69.526%0.25636%0.356SS..THydrogen-bonded Turntrans-85.3-4.5-179.1-65.2166.4000112L32 T50 F52 C84 E86L32-I88 HydrophobicContact CD1-CD1 3.37Å; L32-I88 HydrophobicContact CD2-CD1 3.43Å; L32-I88 VanDerWaalsContact CD2-CD1 3.43Å; L32-I88 HydrophobicContact CD2-CG1 4.04Å; L32-I88 HydrophobicContact CG-CD1 3.93Å; T50-I88 HydrophobicContact CG2-CG2 3.72Å; F52-I88 HydrophobicContact CD1-CD1 4.09Å; F52-I88 HydrophobicContact CE1-CD1 4.13Å; C84-I88 WeakPolarHBondContact O-CB 3.5Å; C84-I88 WeakPolarHBondContact O-CG1 3.35Å; C84-I88 PolarHBondContact O-N 3.43Å; E86-I88 VanDerWaalsContact C-N 3.33Å; E86-I88 PolarHBondContact O-N 2.74Å
89G96.8Very high98.1Very high50 Ų5066 Ų6652%0.51534%0.34SS..THydrogen-bonded Turntrans80.357.8175.500000113A85 E86 Q87 P91A85-G89 PolarHBondContact O-N 2.85Å; E86-G89 PolarHBondContact O-N 3.08Å; E86-G89 VanDerWaalsContact O-N 3.13Å; Q87-G89 VanDerWaalsContact C-N 3.28Å; G89-P91 WeakPolarHBondContact O-CD 3.47Å
90L97.6Very high98Very high14 Ų1464.5 Ų64.57%0.07333%0.333CS..  trans-103.659.2169.6-64179.6000113.2T50 A85 K92 G93 Y94 G118T50-L90 HydrophobicContact CG2-CD1 3.87Å; T50-L90 HydrophobicContact CG2-CD2 4.36Å; T50-L90 HydrophobicContact CG2-CG 4.36Å; A85-L90 HydrophobicContact CB-CB 4.39Å; A85-L90 HydrophobicContact CB-CD1 4Å; A85-L90 WeakPolarHBondContact O-CB 3.25Å; A85-L90 PolarHBondContact O-N 3.32Å; L90-K92 VanDerWaalsContact C-N 3.25Å; L90-K92 PolarHBondContact O-N 2.97Å; L90-G93 PolarHBondContact O-N 3Å; L90-Y94 HydrophobicContact CB-CD1 4.15Å; L90-Y94 HydrophobicContact CD1-CD1 4.49Å; L90-G118 VanDerWaalsContact CD2-N 3.31Å
91P96.3Very high97.8Very high122 Ų12264.9 Ų64.979%0.79234%0.336SS*.THydrogen-bonded Turntrans-71.8-17.2-172.932.1-38.2000113.8G89 G93G89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-G93 VanDerWaalsContact C-N 3.32Å
92K97.8Very high97.6Very high211 Ų21167.9 Ų67.992%0.91736%0.356SS*.THydrogen-bonded Turntrans-92.39.8-179.3-61.4-174.2-179.3-1790113.2L90L90-K92 VanDerWaalsContact C-N 3.25Å; L90-K92 PolarHBondContact O-N 2.97Å
93G98Very high97.4Very high41 Ų4171.3 Ų71.342%0.42338%0.379SS..  trans95.7172.8-178.200000114.1L90 P91L90-G93 PolarHBondContact O-N 3Å; P91-G93 VanDerWaalsContact C-N 3.32Å
94Y98.8Very high97.3Very high87 Ų8767.7 Ų67.734%0.34137%0.372SS..EExtended strand (participates in β ladder)trans-159.3166.8-17651.3-92.9000109.9K82 A85 L90 L96 V115 M116K82-Y94 WeakPolarHBondContact CA-OH 3.36Å; K82-Y94 WeakPolarHBondContact CG-OH 3.42Å; A85-Y94 HydrophobicContact CB-CD1 3.66Å; A85-Y94 HydrophobicContact CB-CD2 4.46Å; A85-Y94 HydrophobicContact CB-CE1 3.51Å; A85-Y94 HydrophobicContact CB-CE2 4.34Å; A85-Y94 HydrophobicContact CB-CG 4.15Å; L90-Y94 HydrophobicContact CB-CD1 4.15Å; L90-Y94 HydrophobicContact CD1-CD1 4.49Å; Y94-L96 HydrophobicContact CD2-CD2 4Å; Y94-L96 HydrophobicContact CD2-CG 4.35Å; Y94-L96 HydrophobicContact CE2-CD2 4Å; Y94-L96 HydrophobicContact CE2-CG 4.23Å; Y94-V115 HydrophobicContact CD2-CG1 3.98Å; Y94-V115 HydrophobicContact CG-CG1 4.34Å; Y94-M116 CarbonylContact C-O 3.58Å; Y94-M116 VanDerWaalsContact CA-O 3.23Å; Y94-M116 WeakPolarHBondContact CA-O 3.38Å; Y94-M116 VanDerWaalsContact CB-O 3.27Å; Y94-M116 WeakPolarHBondContact CB-O 3.44Å
95R98.8Very high97.2Very high61 Ų6168.2 Ų68.223%0.2338%0.378CS..EExtended strand (participates in β ladder)trans-114.4135.8172.6-176.4174.5-68.7164.40.7109.9I97 M116 L121 G122R95-I97 HydrophobicContact CG-CD1 4.31Å; R95-I97 HydrophobicContact CG-CG1 3.81Å; R95-M116 PolarHBondContact N-O 2.9Å; R95-M116 PolarHBondContact O-N 3.18Å; R95-L121 HydrophobicContact CB-CD1 3.25Å; R95-L121 HydrophobicContact CG-CD1 4.38Å; R95-G122 PolarHBondContact NH1-O 3.35Å; R95-G122 PolarHBondContact NH2-O 3.42Å
96L98.8Very high97.1Very high61 Ų6168.2 Ų68.232%0.31938%0.378SS..EExtended strand (participates in β ladder)trans-95.8132.7165.9-56.8-175.4000108.6M78 A81 Y94 I113 H114 V115M78-L96 HydrophobicContact CE-CD1 4.47Å; A81-L96 HydrophobicContact CB-CD1 4.42Å; A81-L96 HydrophobicContact CB-CD2 3.88Å; Y94-L96 HydrophobicContact CD2-CD2 4Å; Y94-L96 HydrophobicContact CD2-CG 4.35Å; Y94-L96 HydrophobicContact CE2-CD2 4Å; Y94-L96 HydrophobicContact CE2-CG 4.23Å; L96-I113 HydrophobicContact CB-CG2 4.01Å; L96-I113 HydrophobicContact CD2-CG2 3.95Å; L96-I113 HydrophobicContact CG-CG2 4.39Å; L96-H114 CarbonylContact C-O 3.6Å; L96-H114 VanDerWaalsContact CA-O 3.26Å; L96-H114 WeakPolarHBondContact CA-O 3.38Å; L96-V115 HydrophobicContact CD2-CB 4.08Å; L96-V115 HydrophobicContact CD2-CG1 3.84Å; L96-V115 HydrophobicContact CD2-CG2 3.57Å
97I98.5Very high96.9Very high39 Ų3962.9 Ų62.920%0.236%0.355CS..EExtended strand (participates in β ladder)trans-129.9134.1174.3-52-171.2000108.7R95 N99 I113 H114 M116R95-I97 HydrophobicContact CG-CD1 4.31Å; R95-I97 HydrophobicContact CG-CG1 3.81Å; I97-N99 WeakPolarHBondContact CG2-OD1 3.34Å; I97-I113 WeakPolarHBondContact O-CA 3.19Å; I97-H114 HydrophobicContact CB-CB 4.16Å; I97-H114 PolarHBondContact N-O 2.7Å; I97-H114 PolarHBondContact O-N 3.12Å; I97-M116 HydrophobicContact CD1-CE 3.16Å; I97-M116 HydrophobicContact CG1-CE 3.83Å
98L98.2Very high96.8Very high55 Ų5557.3 Ų57.329%0.28833%0.33SS..  trans-127.2120.9170.3-167.6161.9000106.7L63 I111 I113L63-L98 HydrophobicContact CB-CD2 3.59Å; L63-L98 HydrophobicContact CD2-CD1 4.42Å; L63-L98 HydrophobicContact CD2-CD2 3.97Å; L63-L98 HydrophobicContact CG-CD2 4.34Å; L98-I111 HydrophobicContact CD1-CD1 3.86Å; L98-I111 HydrophobicContact CD1-CG1 3.89Å; L98-I111 HydrophobicContact CD2-CD1 4.43Å; L98-I111 HydrophobicContact CD2-CG1 4.16Å; L98-I111 HydrophobicContact CG-CG1 4.19Å; L98-I113 HydrophobicContact CD1-CG1 4.19Å
99N97.9Very high96.8Very high33 Ų3356.1 Ų56.118%0.17632%0.323CS..  trans-97.6136.2-178.7-66-12.1000109.9I97 G104 G105 Q106I97-N99 WeakPolarHBondContact CG2-OD1 3.34Å; N99-G104 WeakPolarHBondContact CB-O 3.25Å; N99-G104 PolarHBondContact ND2-O 3.01Å; N99-G104 PolarHBondContact OD1-O 3.34Å; N99-G104 VanDerWaalsContact OD1-O 3.11Å; N99-G105 PolarHBondContact ND2-O 2.94Å; N99-Q106 HydrophobicContact CB-CB 4.02Å
100D97.6Very high96.9Very high58 Ų5853.9 Ų53.931%0.3130%0.299SS..  trans-122.3120.5174.2-165.2-96.8000109.8Q62 L63 S64 G104Q62-D100 WeakPolarHBondContact CB-OD2 3.41Å; L63-D100 PolarHBondContact N-OD2 3.15Å; S64-D100 WeakPolarHBondContact CB-OD1 3.15Å; S64-D100 PolarHBondContact N-OD2 2.92Å; S64-D100 VanDerWaalsContact OG-CG 3.27Å; S64-D100 PolarHBondContact OG-OD1 2.89Å; S64-D100 PolarHBondContact OG-OD2 2.83Å; D100-G104 WeakPolarHBondContact O-CA 3.28Å; D100-G104 PolarHBondContact O-N 2.73Å
101G95.3Very high96.9Very high7 Ų753.3 Ų53.37%0.07230%0.296CS..THydrogen-bonded Turntrans66.1-171.4176.400000115.6G104 G105 Q106G101-G104 PolarHBondContact O-N 3.21Å; G101-G105 PolarHBondContact O-N 3.39Å; G101-Q106 WeakPolarHBondContact O-CB 3.32Å; G101-Q106 PolarHBondContact O-N 3.43Å
102P94Very high97Very high63 Ų6347.7 Ų47.741%0.40926%0.259SS..THydrogen-bonded Turntrans-63.1-45.5-173.9-24.834.9000113.9G104 G105P102-G104 VanDerWaalsContact C-N 3.32Å; P102-G104 PolarHBondContact O-N 2.87Å; P102-G105 PolarHBondContact O-N 2.57Å
103D95.1Very high97Very high168 Ų16838.2 Ų38.290%0.89822%0.218SC*.THydrogen-bonded Turntrans-71.4-28.9-178.4-69.4-16.5000112.3G105D103-G105 PolarHBondContact O-N 3.44Å
104G95.8Very high97Very high33 Ų3336.7 Ų36.734%0.3420%0.2SC..THydrogen-bonded Turntrans-73.1-12.9170.500000113.2N99 D100 G101 P102N99-G104 WeakPolarHBondContact CB-O 3.25Å; N99-G104 PolarHBondContact ND2-O 3.01Å; N99-G104 PolarHBondContact OD1-O 3.34Å; N99-G104 VanDerWaalsContact OD1-O 3.11Å; D100-G104 WeakPolarHBondContact O-CA 3.28Å; D100-G104 PolarHBondContact O-N 2.73Å; G101-G104 PolarHBondContact O-N 3.21Å; P102-G104 VanDerWaalsContact C-N 3.32Å; P102-G104 PolarHBondContact O-N 2.87Å
105G95.4Very high97Very high12 Ų1232.5 Ų32.512%0.12418%0.184CC..THydrogen-bonded Turntrans75.734.4-176.200000113.4A8 N99 G101 P102 D103 S107A8-G105 VanDerWaalsContact CB-C 3.4Å; N99-G105 PolarHBondContact ND2-O 2.94Å; G101-G105 PolarHBondContact O-N 3.39Å; P102-G105 PolarHBondContact O-N 2.57Å; D103-G105 PolarHBondContact O-N 3.44Å; G105-S107 PolarHBondContact O-N 3.22Å
106Q96.9Very high97Very high0 Ų030.6 Ų30.60%018%0.178CC..  trans-75.2109.8177.5-172.8-179.90.100111.2A8 V61 Q62 N99 G101 V108A8-Q106 VanDerWaalsContact CA-O 3.28Å; A8-Q106 WeakPolarHBondContact CA-O 3.47Å; A8-Q106 WeakPolarHBondContact CB-O 3.4Å; V61-Q106 PolarHBondContact O-NE2 2.84Å; Q62-Q106 VanDerWaalsContact CB-OE1 3.26Å; N99-Q106 HydrophobicContact CB-CB 4.02Å; G101-Q106 WeakPolarHBondContact O-CB 3.32Å; G101-Q106 PolarHBondContact O-N 3.43Å; Q106-V108 WeakPolarHBondContact CG-O 3.39Å; Q106-V108 PolarHBondContact NE2-O 3.17Å
107S93.8Very high97Very high15 Ų1527.8 Ų27.811%0.10516%0.163CC..  trans-88.7-22.3-176.358.30000114.7E4 A11 G105E4-S107 WeakPolarHBondContact OE2-CB 3.47Å; E4-S107 PolarHBondContact OE2-OG 3.03Å; A11-S107 WeakPolarHBondContact CB-O 3.39Å; G105-S107 PolarHBondContact O-N 3.22Å
108V95.6Very high97Very high24 Ų2428.4 Ų28.415%0.14518%0.179CC..SBendtrans-132.1128177.5-177.40000109.7T17 I18 F19 Q106 H110 H112T17-V108 HydrophobicContact CG2-CG1 4.18Å; I18-V108 HydrophobicContact CG2-CG1 4.19Å; I18-V108 HydrophobicContact CG2-CG2 3.95Å; F19-V108 HydrophobicContact CD2-CB 4.15Å; F19-V108 HydrophobicContact CD2-CG1 3.66Å; F19-V108 HydrophobicContact CE1-CG2 4.24Å; F19-V108 HydrophobicContact CE2-CB 3.6Å; F19-V108 HydrophobicContact CE2-CG1 3.66Å; F19-V108 HydrophobicContact CE2-CG2 4.06Å; F19-V108 HydrophobicContact CG-CG1 4.11Å; F19-V108 HydrophobicContact CZ-CB 3.87Å; F19-V108 HydrophobicContact CZ-CG1 4.15Å; F19-V108 HydrophobicContact CZ-CG2 3.78Å; Q106-V108 WeakPolarHBondContact CG-O 3.39Å; Q106-V108 PolarHBondContact NE2-O 3.17Å; V108-H110 HydrophobicContact CG1-CB 4.32Å; V108-H110 PolarHBondContact O-N 3.32Å; V108-H112 PolarHBondContact O-CE1 2.9Å
109Y96.6Very high97Very high24 Ų2431.6 Ų31.69%0.09419%0.188CC..SBendtrans-81.253.8178.9-79-90.3000112.6A11 Q12 P13 V61A11-Y109 HydrophobicContact CB-CD2 3.81Å; A11-Y109 HydrophobicContact CB-CE2 3.52Å; A11-Y109 VanDerWaalsContact O-CE2 3.25Å; A11-Y109 WeakPolarHBondContact O-CE2 3.32Å; Q12-Y109 VanDerWaalsContact O-CD2 3.32Å; Q12-Y109 WeakPolarHBondContact O-CD2 3.37Å; P13-Y109 HydrophobicContact CB-CD1 3.91Å; P13-Y109 HydrophobicContact CB-CE1 4.27Å; P13-Y109 HydrophobicContact CB-CG 4.31Å; P13-Y109 HydrophobicContact CG-CD1 3.67Å; P13-Y109 HydrophobicContact CG-CE1 3.51Å; P13-Y109 HydrophobicContact CG-CG 4.3Å; V61-Y109 HydrophobicContact CG1-CD1 3.72Å; V61-Y109 HydrophobicContact CG1-CG 4.4Å; V61-Y109 CarbonylContact O-C 3.56Å; V61-Y109 WeakPolarHBondContact O-CA 3.23Å
110H97.5Very high97Very high4 Ų438.2 Ų38.22%0.01922%0.217CC..SBendtrans-146116.2165.4-174.8163.4000105T17 F19 I23 P56 K58 I60 V61 V108 H112T17-H110 HydrophobicContact CG2-CB 4.15Å; F19-H110 HydrophobicContact CB-CB 4.43Å; F19-H110 HydrophobicContact CD2-CB 4Å; I23-H110 VanDerWaalsContact CD1-CE1 3.5Å; I23-H110 WeakPolarHBondContact CD1-CE1 3.06Å; P56-H110 PolarHBondContact O-CE1 3.1Å; P56-H110 PolarHBondContact O-NE2 3.46Å; K58-H110 PolarHBondContact O-NE2 3.11Å; I60-H110 CarbonylContact O-C 3.6Å; I60-H110 WeakPolarHBondContact O-CA 3.36Å; V61-H110 PolarHBondContact O-N 3.12Å; V108-H110 HydrophobicContact CG1-CB 4.32Å; V108-H110 PolarHBondContact O-N 3.32Å; H110-H112 PolarHBondContact O-N 2.99Å; H110-H112 PolarHBondContact O-ND1 3.48Å
111I97.3Very high97Very high2 Ų236.5 Ų36.51%0.0121%0.208CC..  trans-50.4135.2-172.4-160.6176.3000111.2P56 I60 L63 L74 L98P56-I111 WeakPolarHBondContact CD-O 3.48Å; P56-I111 HydrophobicContact CG-CG2 3.38Å; I60-I111 HydrophobicContact CB-CB 4.45Å; I60-I111 HydrophobicContact CB-CG2 3.83Å; I60-I111 HydrophobicContact CG2-CG2 4.29Å; I60-I111 PolarHBondContact O-N 2.77Å; L63-I111 HydrophobicContact CB-CD1 3.97Å; L63-I111 HydrophobicContact CD1-CD1 4.06Å; L74-I111 HydrophobicContact CD2-CD1 3.78Å; L98-I111 HydrophobicContact CD1-CD1 3.86Å; L98-I111 HydrophobicContact CD1-CG1 3.89Å; L98-I111 HydrophobicContact CD2-CD1 4.43Å; L98-I111 HydrophobicContact CD2-CG1 4.16Å; L98-I111 HydrophobicContact CG-CG1 4.19Å
112H98.5Very high97.1Very high4 Ų438.4 Ų38.42%0.01923%0.228CC..  trans-150.5140.2-176.852.4-76.1000109.9F19 V54 V55 V108 H110 H114F19-H112 HydrophobicContact CD2-CB 4.48Å; F19-H112 HydrophobicContact CE2-CB 3.85Å; F19-H112 AromaticContact CE2-CE1 3.94Å; F19-H112 AromaticContact CE2-CG 3.59Å; F19-H112 AromaticContact CE2-ND1 3.49Å; F19-H112 WeakPolarHBondContact CE2-ND1 3.47Å; V54-H112 WeakPolarHBondContact O-CA 3.42Å; V55-H112 HydrophobicContact CG2-CB 3.87Å; V108-H112 PolarHBondContact O-CE1 2.9Å; H110-H112 PolarHBondContact O-N 2.99Å; H110-H112 PolarHBondContact O-ND1 3.48Å; H112-H114 AromaticContact CD2-CD2 3.83Å; H112-H114 AromaticContact CD2-CE1 3.84Å; H112-H114 AromaticContact CD2-NE2 3.28Å; H112-H114 PolarHBondContact CD2-NE2 2.83Å; H112-H114 VanDerWaalsContact CD2-NE2 3.28Å; H112-H114 AromaticContact NE2-CE1 3.99Å; H112-H114 AromaticContact NE2-NE2 3.33Å; H112-H114 PolarHBondContact NE2-NE2 2.92Å
113I98.8Very high97.2Very high11 Ų1145.4 Ų45.46%0.05625%0.247CC..EExtended strand (participates in β ladder)trans-99.5117.2173.6-61.2172.9000107.7L53 V54 M77 M78 L96 I97 L98 V115L53-I113 CarbonylContact C-O 3.58Å; L53-I113 VanDerWaalsContact CA-O 3.32Å; L53-I113 WeakPolarHBondContact CA-O 3.32Å; V54-I113 HydrophobicContact CB-CB 4.4Å; V54-I113 PolarHBondContact N-O 3.24Å; V54-I113 PolarHBondContact O-N 3.1Å; M77-I113 HydrophobicContact CB-CD1 3.76Å; M77-I113 HydrophobicContact CE-CD1 4.04Å; M77-I113 HydrophobicContact CE-CG1 3.98Å; M78-I113 HydrophobicContact CG-CD1 4.14Å; L96-I113 HydrophobicContact CB-CG2 4.01Å; L96-I113 HydrophobicContact CD2-CG2 3.95Å; L96-I113 HydrophobicContact CG-CG2 4.39Å; I97-I113 WeakPolarHBondContact O-CA 3.19Å; L98-I113 HydrophobicContact CD1-CG1 4.19Å; I113-V115 HydrophobicContact CG2-CG2 4.33Å
114H98.6Very high97.2Very high9 Ų942 Ų424%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-72.8133.6165.2-62.7-93.7000109.6H51 L53 L96 I97 H112H51-H114 AromaticContact CE1-ND1 3.39Å; H51-H114 PolarHBondContact CE1-ND1 3.2Å; H51-H114 AromaticContact NE2-CG 3.62Å; H51-H114 AromaticContact NE2-ND1 2.9Å; H51-H114 PolarHBondContact NE2-ND1 2.75Å; L53-H114 HydrophobicContact CD2-CB 4.35Å; L53-H114 WeakPolarHBondContact CD2-ND1 3.37Å; L96-H114 CarbonylContact C-O 3.6Å; L96-H114 VanDerWaalsContact CA-O 3.26Å; L96-H114 WeakPolarHBondContact CA-O 3.38Å; I97-H114 HydrophobicContact CB-CB 4.16Å; I97-H114 PolarHBondContact N-O 2.7Å; I97-H114 PolarHBondContact O-N 3.12Å; H112-H114 AromaticContact CD2-CD2 3.83Å; H112-H114 AromaticContact CD2-CE1 3.84Å; H112-H114 AromaticContact CD2-NE2 3.28Å; H112-H114 PolarHBondContact CD2-NE2 2.83Å; H112-H114 VanDerWaalsContact CD2-NE2 3.28Å; H112-H114 AromaticContact NE2-CE1 3.99Å; H112-H114 AromaticContact NE2-NE2 3.33Å; H112-H114 PolarHBondContact NE2-NE2 2.92Å
115V98.8Very high97.1Very high0 Ų043.6 Ų43.60%024%0.238CC..EExtended strand (participates in β ladder)trans-118.8114.1170.7-169.10000108.5H51 F52 V54 A81 A85 Y94 L96 I113H51-V115 WeakPolarHBondContact CA-O 3.29Å; F52-V115 HydrophobicContact CD1-CB 3.9Å; F52-V115 HydrophobicContact CD1-CG1 4.31Å; F52-V115 HydrophobicContact CD2-CB 4.04Å; F52-V115 HydrophobicContact CD2-CG2 3.91Å; F52-V115 HydrophobicContact CE1-CB 3.51Å; F52-V115 HydrophobicContact CE1-CG1 3.5Å; F52-V115 VanDerWaalsContact CE1-CG1 3.5Å; F52-V115 HydrophobicContact CE1-CG2 4.18Å; F52-V115 HydrophobicContact CE2-CB 3.66Å; F52-V115 HydrophobicContact CE2-CG1 4.2Å; F52-V115 HydrophobicContact CE2-CG2 3.36Å; F52-V115 HydrophobicContact CG-CB 4.16Å; F52-V115 HydrophobicContact CZ-CB 3.38Å; F52-V115 HydrophobicContact CZ-CG1 3.43Å; F52-V115 VanDerWaalsContact CZ-CG1 3.43Å; F52-V115 HydrophobicContact CZ-CG2 3.52Å; F52-V115 PolarHBondContact N-O 3.2Å; F52-V115 VanDerWaalsContact N-O 3.13Å; F52-V115 PolarHBondContact O-N 3.37Å; V54-V115 HydrophobicContact CG2-CG2 4.35Å; A81-V115 HydrophobicContact CB-CG2 3.79Å; A85-V115 HydrophobicContact CB-CG1 4.33Å; Y94-V115 HydrophobicContact CD2-CG1 3.98Å; Y94-V115 HydrophobicContact CG-CG1 4.34Å; L96-V115 HydrophobicContact CD2-CB 4.08Å; L96-V115 HydrophobicContact CD2-CG1 3.84Å; L96-V115 HydrophobicContact CD2-CG2 3.57Å; I113-V115 HydrophobicContact CG2-CG2 4.33Å
116M98.5Very high96.3Very high21 Ų2147.4 Ų47.410%0.10328%0.277CS..EExtended strand (participates in β ladder)trans-120.4133.3-176.5-70.2-175-73.800112.1Q47 A48 T50 H51 Y94 R95 I97 L121Q47-M116 HydrophobicContact CB-SD 3.88Å; A48-M116 HydrophobicContact CB-CB 4.09Å; A48-M116 HydrophobicContact CB-CG 4.39Å; T50-M116 WeakPolarHBondContact O-CA 3.39Å; H51-M116 HydrophobicContact CB-CG 4.41Å; H51-M116 WeakPolarHBondContact CD2-CG 3.29Å; Y94-M116 CarbonylContact C-O 3.58Å; Y94-M116 VanDerWaalsContact CA-O 3.23Å; Y94-M116 WeakPolarHBondContact CA-O 3.38Å; Y94-M116 VanDerWaalsContact CB-O 3.27Å; Y94-M116 WeakPolarHBondContact CB-O 3.44Å; R95-M116 PolarHBondContact N-O 2.9Å; R95-M116 PolarHBondContact O-N 3.18Å; I97-M116 HydrophobicContact CD1-CE 3.16Å; I97-M116 HydrophobicContact CG1-CE 3.83Å; M116-L121 HydrophobicContact CB-CD1 4.31Å; M116-L121 HydrophobicContact CB-CD2 4.44Å
117G98.4Very high96.3Very high1 Ų149.8 Ų49.81%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-164-170.4179.300000113.2A48 P49 T50 R119A48-G117 WeakPolarHBondContact CB-O 3.37Å; P49-G117 WeakPolarHBondContact CD-O 3.32Å; T50-G117 PolarHBondContact N-O 2.89Å; T50-G117 VanDerWaalsContact N-O 3.09Å; T50-G117 PolarHBondContact O-N 2.71Å; G117-R119 VanDerWaalsContact C-N 3.28Å; G117-R119 PolarHBondContact O-N 2.94Å
118G97.8Very high96.4Very high53 Ų5351.6 Ų51.655%0.54630%0.3SS..SBendtrans833.1-179.400000114.2L90L90-G118 VanDerWaalsContact CD2-N 3.31Å
119R97.9Very high96.5Very high122 Ų12253.1 Ų53.146%0.4631%0.309SS..SBendtrans-152.5166.4169.765.6174.8179.784.4-4.6110.3Q47 A48 P49 G117 L121Q47-R119 PolarHBondContact O-NE 3.09Å; Q47-R119 PolarHBondContact O-NH2 3.34Å; A48-R119 HydrophobicContact CB-CG 4.29Å; P49-R119 HydrophobicContact CG-CB 4.25Å; P49-R119 HydrophobicContact CG-CG 4.44Å; G117-R119 VanDerWaalsContact C-N 3.28Å; G117-R119 PolarHBondContact O-N 2.94Å; R119-L121 HydrophobicContact CG-CD2 4.37Å; R119-L121 PolarHBondContact O-N 3.22Å
120Q98.3Very high96.5Very high171 Ų17154.8 Ų54.880%0.79932%0.322SS*.  trans-63.2130.5167-175.760.453.300109.9
121L97.9Very high96.4Very high22 Ų2258 Ų5812%0.11534%0.341CS..  trans-97.5139.3174.1-60.3176.6000109.5R95 M116 R119R95-L121 HydrophobicContact CB-CD1 3.25Å; R95-L121 HydrophobicContact CG-CD1 4.38Å; M116-L121 HydrophobicContact CB-CD1 4.31Å; M116-L121 HydrophobicContact CB-CD2 4.44Å; R119-L121 HydrophobicContact CG-CD2 4.37Å; R119-L121 PolarHBondContact O-N 3.22Å
122G97.3Very high96.3Very high48 Ų4861.7 Ų61.750%0.49536%0.363SS..  trans-78.2175-177.500000114.2R95R95-G122 PolarHBondContact NH1-O 3.35Å; R95-G122 PolarHBondContact NH2-O 3.42Å
123W96Very high96.2Very high210 Ų21065.9 Ų65.980%0.79539%0.387SS*.SBendtrans-138.4134.4171.6-168.2-102000109.7P125W123-P125 HydrophobicContact CE3-CB 4.02Å; W123-P125 HydrophobicContact CE3-CG 3.95Å; W123-P125 HydrophobicContact CH2-CG 3.7Å; W123-P125 HydrophobicContact CZ3-CB 3.72Å; W123-P125 HydrophobicContact CZ3-CG 3.37Å
124P96Very high96Very high97 Ų9770.1 Ų70.163%0.6341%0.413SS*.SBendcis-65165.4429.2-36.3000114.1G126P124-G126 PolarHBondContact O-N 2.95Å; P124-G126 VanDerWaalsContact O-N 3.12Å
125P92.3Very high95.8Very high66 Ų6675.2 Ų75.243%0.42944%0.443SS..  trans-88.344.9-175.139.6-35.5000111.8W123W123-P125 HydrophobicContact CE3-CB 4.02Å; W123-P125 HydrophobicContact CE3-CG 3.95Å; W123-P125 HydrophobicContact CH2-CG 3.7Å; W123-P125 HydrophobicContact CZ3-CB 3.72Å; W123-P125 HydrophobicContact CZ3-CG 3.37Å
126G80.1Confident95.5Very high91 Ų9182 Ų8294%0.93848%0.484SS*.  trans-153.20174.700000108.3M1 P124M1-G126 WeakPolarHBondContact CE-OXT 3.45Å; M1-G126 VanDerWaalsContact SD-OXT 3.37Å; P124-G126 PolarHBondContact O-N 2.95Å; P124-G126 VanDerWaalsContact O-N 3.12Å

Retrieved 126 of 126 residues in 652.4 ms (Link to these results)

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