G4VPH5_SCHMA Loading...

Glucose-6-phosphate isomerase

AlphaFold DB , UniProt , Accession G4VPH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene pgi, Length 545 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
1M61.4Low92.4Very high159 Ų15959.8 Ų59.878%0.78330%0.295SS*.  0145.30-125.2171.6-75.800107H5 R9M1-H5 HydrophobicContact CB-CB 4.49Å; M1-H5 HydrophobicContact CG-CB 3.85Å; M1-H5 HydrophobicContact SD-CB 4.17Å; M1-R9 PolarHBondContact SD-NH2 3.48Å
2S87Confident92.6Very high33 Ų3369.3 Ų69.323%0.23133%0.333CS..  trans-72153176.376.50000109.9L4 H5 D6S2-L4 PolarHBondContact O-N 3.47Å; S2-L4 VanDerWaalsContact O-N 3.14Å; S2-H5 WeakPolarHBondContact O-CB 3.49Å; S2-H5 PolarHBondContact O-N 2.73Å; S2-H5 PolarHBondContact OG-ND1 3.34Å; S2-D6 PolarHBondContact O-N 2.8Å
3A95Very high92.9Very high18 Ų1872.8 Ų72.815%0.14935%0.346CS..Hα-helixtrans-52.1-35.9177.400000112.5D6 F7 L63 D66A3-D6 PolarHBondContact O-N 3.08Å; A3-F7 WeakPolarHBondContact O-CB 3.37Å; A3-F7 PolarHBondContact O-N 3.42Å; A3-L63 HydrophobicContact CB-CD1 4.13Å; A3-D66 HydrophobicContact CB-CB 3.59Å
4L97.2Very high93.1Very high1 Ų168.6 Ų68.61%0.00533%0.328CS..Hα-helixtrans-62.4-44.3175.4-175.759.7000112.5S2 D6 F7 L8 L63 V316 Y364 I495S2-L4 PolarHBondContact O-N 3.47Å; S2-L4 VanDerWaalsContact O-N 3.14Å; L4-D6 VanDerWaalsContact C-N 3.3Å; L4-D6 PolarHBondContact O-N 2.77Å; L4-F7 HydrophobicContact CD1-CD1 4.13Å; L4-F7 WeakPolarHBondContact O-CB 2.95Å; L4-F7 PolarHBondContact O-N 2.75Å; L4-L8 HydrophobicContact CD1-CD1 4.34Å; L4-L8 HydrophobicContact CD1-CD2 4.17Å; L4-L8 HydrophobicContact CD1-CG 4.05Å; L4-L8 HydrophobicContact CG-CD1 4.06Å; L4-L8 HydrophobicContact CG-CG 4.2Å; L4-L8 VanDerWaalsContact O-CG 3.24Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 3.18Å; L4-L63 HydrophobicContact CB-CD1 4.42Å; L4-L63 HydrophobicContact CD1-CD1 4.43Å; L4-L63 HydrophobicContact CD1-CD2 4.22Å; L4-V316 HydrophobicContact CD1-CG1 4.13Å; L4-Y364 HydrophobicContact CD2-CD1 3.98Å; L4-Y364 HydrophobicContact CD2-CD2 3.65Å; L4-Y364 HydrophobicContact CD2-CE1 4.07Å; L4-Y364 HydrophobicContact CD2-CE2 3.75Å; L4-Y364 HydrophobicContact CD2-CG 3.77Å; L4-I495 HydrophobicContact CD1-CG2 4.3Å
5H96.4Very high93.2Very high36 Ų3671.9 Ų71.917%0.16736%0.357CS..Hα-helixtrans-61-41.4177.4-72.686.2000112.2M1 S2 F7 L8 R9 D363 Y364M1-H5 HydrophobicContact CB-CB 4.49Å; M1-H5 HydrophobicContact CG-CB 3.85Å; M1-H5 HydrophobicContact SD-CB 4.17Å; S2-H5 WeakPolarHBondContact O-CB 3.49Å; S2-H5 PolarHBondContact O-N 2.73Å; S2-H5 PolarHBondContact OG-ND1 3.34Å; H5-F7 VanDerWaalsContact C-N 3.33Å; H5-L8 PolarHBondContact O-N 2.78Å; H5-R9 WeakPolarHBondContact O-CG 3.34Å; H5-R9 PolarHBondContact O-N 3.34Å; H5-R9 VanDerWaalsContact O-N 3.1Å; H5-D363 IonicContact CD2-OD2 2.8Å; H5-D363 IonicContact CE1-OD1 2.67Å; H5-D363 PolarHBondContact CE1-OD1 3.37Å; H5-D363 IonicContact NE2-OD1 3.31Å; H5-D363 PolarHBondContact NE2-OD1 3.28Å; H5-D363 IonicContact NE2-OD2 3.28Å; H5-D363 PolarHBondContact NE2-OD2 2.89Å; H5-Y364 AromaticContact CE1-CE1 3.82Å
6D96.3Very high93.4Very high61 Ų6172.9 Ų72.933%0.32636%0.36SS..Hα-helixtrans-66.4-39.1177.5-68.8-18000111S2 A3 L4 R9 N10S2-D6 PolarHBondContact O-N 2.8Å; A3-D6 PolarHBondContact O-N 3.08Å; L4-D6 VanDerWaalsContact C-N 3.3Å; L4-D6 PolarHBondContact O-N 2.77Å; D6-R9 IonicContact OD1-CZ 2.92Å; D6-R9 IonicContact OD1-NE 3.53Å; D6-R9 IonicContact OD1-NH2 3.79Å; D6-R9 PolarHBondContact OD1-NH2 3.41Å; D6-N10 WeakPolarHBondContact O-CB 3.3Å; D6-N10 PolarHBondContact O-N 2.96Å; D6-N10 PolarHBondContact O-ND2 3.26Å
7F97.2Very high93.6Very high16 Ų1671.5 Ų71.57%0.0736%0.357CS..Hα-helixtrans-61.4-50.5172.1171.5-94.1000112.1A3 L4 H5 R9 N10 F11 Q59 L60 L63 I321A3-F7 WeakPolarHBondContact O-CB 3.37Å; A3-F7 PolarHBondContact O-N 3.42Å; L4-F7 HydrophobicContact CD1-CD1 4.13Å; L4-F7 WeakPolarHBondContact O-CB 2.95Å; L4-F7 PolarHBondContact O-N 2.75Å; H5-F7 VanDerWaalsContact C-N 3.33Å; F7-R9 VanDerWaalsContact C-N 3.26Å; F7-R9 PolarHBondContact O-N 3.03Å; F7-N10 PolarHBondContact O-N 3.14Å; F7-N10 VanDerWaalsContact O-N 3.08Å; F7-F11 HydrophobicContact CD2-CB 4.3Å; F7-F11 HydrophobicContact CD2-CD2 4.12Å; F7-F11 HydrophobicContact CE1-CB 4.21Å; F7-F11 HydrophobicContact CE1-CD2 4.37Å; F7-F11 HydrophobicContact CE1-CG 4.25Å; F7-F11 HydrophobicContact CE2-CB 4Å; F7-F11 AromaticContact CE2-CD2 3.18Å; F7-F11 HydrophobicContact CE2-CD2 3.18Å; F7-F11 AromaticContact CE2-CE2 3.8Å; F7-F11 HydrophobicContact CE2-CE2 3.8Å; F7-F11 AromaticContact CE2-CG 3.8Å; F7-F11 HydrophobicContact CE2-CG 3.8Å; F7-F11 HydrophobicContact CZ-CB 3.92Å; F7-F11 HydrophobicContact CZ-CD1 4.32Å; F7-F11 AromaticContact CZ-CD2 3.32Å; F7-F11 HydrophobicContact CZ-CD2 3.32Å; F7-F11 AromaticContact CZ-CE2 3.8Å; F7-F11 HydrophobicContact CZ-CE2 3.8Å; F7-F11 AromaticContact CZ-CG 3.59Å; F7-F11 HydrophobicContact CZ-CG 3.59Å; F7-F11 HydrophobicContact CZ-CZ 4.48Å; F7-F11 VanDerWaalsContact O-CB 3.27Å; F7-F11 WeakPolarHBondContact O-CB 3.27Å; F7-F11 PolarHBondContact O-N 3.29Å; F7-Q59 HydrophobicContact CE2-CB 4.49Å; F7-L60 HydrophobicContact CE1-CD2 4.5Å; F7-L60 HydrophobicContact CE2-CD2 3.68Å; F7-L60 HydrophobicContact CE2-CG 4.31Å; F7-L60 HydrophobicContact CZ-CD2 3.44Å; F7-L60 VanDerWaalsContact CZ-CD2 3.44Å; F7-L60 HydrophobicContact CZ-CG 4.42Å; F7-L63 HydrophobicContact CB-CB 4.45Å; F7-L63 HydrophobicContact CB-CD1 3.81Å; F7-L63 HydrophobicContact CB-CD2 4.26Å; F7-L63 HydrophobicContact CB-CG 4.39Å; F7-L63 HydrophobicContact CD1-CD2 3.81Å; F7-L63 HydrophobicContact CD2-CB 3.9Å; F7-L63 HydrophobicContact CD2-CD2 3.94Å; F7-L63 HydrophobicContact CD2-CG 4.38Å; F7-L63 HydrophobicContact CE1-CD2 4.09Å; F7-L63 HydrophobicContact CE2-CB 4.45Å; F7-L63 HydrophobicContact CE2-CD2 4.2Å; F7-L63 HydrophobicContact CG-CB 4.26Å; F7-L63 HydrophobicContact CG-CD1 4.21Å; F7-L63 HydrophobicContact CG-CD2 3.74Å; F7-L63 HydrophobicContact CG-CG 4.29Å; F7-L63 HydrophobicContact CZ-CD2 4.3Å; F7-I321 HydrophobicContact CE1-CD1 3.94Å; F7-I321 HydrophobicContact CE1-CG1 3.75Å; F7-I321 HydrophobicContact CZ-CG1 4.24Å
8L96.9Very high93.8Very high54 Ų5467.6 Ų67.628%0.28334%0.337SS..Hα-helixtrans-61.9-32.6-177.8-64.7178.5000112.9L4 H5 N320 I321L4-L8 HydrophobicContact CD1-CD1 4.34Å; L4-L8 HydrophobicContact CD1-CD2 4.17Å; L4-L8 HydrophobicContact CD1-CG 4.05Å; L4-L8 HydrophobicContact CG-CD1 4.06Å; L4-L8 HydrophobicContact CG-CG 4.2Å; L4-L8 VanDerWaalsContact O-CG 3.24Å; L4-L8 WeakPolarHBondContact O-CG 3.37Å; L4-L8 PolarHBondContact O-N 3.18Å; H5-L8 PolarHBondContact O-N 2.78Å; L8-N320 HydrophobicContact CD2-CB 3.61Å; L8-I321 HydrophobicContact CD2-CD1 3.58Å; L8-I321 HydrophobicContact CD2-CG1 4.23Å
9R95.9Very high94Very high156 Ų15669.2 Ų69.259%0.58934%0.342SS*.Hα-helixtrans-73.5-28.4176.4-71.4-172.7-60.8160.16113.7M1 H5 D6 F7M1-R9 PolarHBondContact SD-NH2 3.48Å; H5-R9 WeakPolarHBondContact O-CG 3.34Å; H5-R9 PolarHBondContact O-N 3.34Å; H5-R9 VanDerWaalsContact O-N 3.1Å; D6-R9 IonicContact OD1-CZ 2.92Å; D6-R9 IonicContact OD1-NE 3.53Å; D6-R9 IonicContact OD1-NH2 3.79Å; D6-R9 PolarHBondContact OD1-NH2 3.41Å; F7-R9 VanDerWaalsContact C-N 3.26Å; F7-R9 PolarHBondContact O-N 3.03Å
10N95.9Very high94.2Very high106 Ų10670.9 Ų70.957%0.56735%0.349SS*.Hα-helixtrans-110.5-20.1-169.1-67.3-54000114.2D6 F7 K12D6-N10 WeakPolarHBondContact O-CB 3.3Å; D6-N10 PolarHBondContact O-N 2.96Å; D6-N10 PolarHBondContact O-ND2 3.26Å; F7-N10 PolarHBondContact O-N 3.14Å; F7-N10 VanDerWaalsContact O-N 3.08Å; N10-K12 PolarHBondContact O-N 2.9Å
11F96.9Very high94.4Very high18 Ų1868.1 Ų68.18%0.07934%0.336CS..  trans-70.6128.4-178.8-169.7-89.6000110.7F7 Q59 L60 M317 I321F7-F11 HydrophobicContact CD2-CB 4.3Å; F7-F11 HydrophobicContact CD2-CD2 4.12Å; F7-F11 HydrophobicContact CE1-CB 4.21Å; F7-F11 HydrophobicContact CE1-CD2 4.37Å; F7-F11 HydrophobicContact CE1-CG 4.25Å; F7-F11 HydrophobicContact CE2-CB 4Å; F7-F11 AromaticContact CE2-CD2 3.18Å; F7-F11 HydrophobicContact CE2-CD2 3.18Å; F7-F11 AromaticContact CE2-CE2 3.8Å; F7-F11 HydrophobicContact CE2-CE2 3.8Å; F7-F11 AromaticContact CE2-CG 3.8Å; F7-F11 HydrophobicContact CE2-CG 3.8Å; F7-F11 HydrophobicContact CZ-CB 3.92Å; F7-F11 HydrophobicContact CZ-CD1 4.32Å; F7-F11 AromaticContact CZ-CD2 3.32Å; F7-F11 HydrophobicContact CZ-CD2 3.32Å; F7-F11 AromaticContact CZ-CE2 3.8Å; F7-F11 HydrophobicContact CZ-CE2 3.8Å; F7-F11 AromaticContact CZ-CG 3.59Å; F7-F11 HydrophobicContact CZ-CG 3.59Å; F7-F11 HydrophobicContact CZ-CZ 4.48Å; F7-F11 VanDerWaalsContact O-CB 3.27Å; F7-F11 WeakPolarHBondContact O-CB 3.27Å; F7-F11 PolarHBondContact O-N 3.29Å; F11-Q59 HydrophobicContact CD2-CB 4.15Å; F11-Q59 VanDerWaalsContact CD2-OE1 3.27Å; F11-Q59 HydrophobicContact CE2-CB 4.4Å; F11-L60 HydrophobicContact CE2-CD2 4.34Å; F11-L60 HydrophobicContact CE2-CG 4.11Å; F11-M317 HydrophobicContact CE1-CG 4.1Å; F11-M317 HydrophobicContact CE1-SD 4.18Å; F11-M317 HydrophobicContact CZ-CG 3.97Å; F11-M317 HydrophobicContact CZ-SD 3.71Å; F11-I321 HydrophobicContact CB-CD1 3.92Å; F11-I321 HydrophobicContact CD1-CB 4.39Å; F11-I321 HydrophobicContact CD1-CD1 3.89Å; F11-I321 HydrophobicContact CD1-CG1 3.77Å; F11-I321 HydrophobicContact CD1-CG2 3.88Å; F11-I321 HydrophobicContact CE1-CG1 4.28Å; F11-I321 HydrophobicContact CE1-CG2 4.08Å; F11-I321 HydrophobicContact CG-CD1 4.19Å; F11-I321 HydrophobicContact CG-CG1 4.3Å
12K95.5Very high96.1Very high173 Ų17363.2 Ų63.275%0.75231%0.31SS*.  trans-108.3132.6176.6-64.9-175.1-178.9-179.70109.3N10N10-K12 PolarHBondContact O-N 2.9Å
13K96.4Very high96.6Very high115 Ų11565.6 Ų65.650%0.533%0.331SS..  trans-61.6138.8172.7-66.2-178.6178.8178.30109.2P15 I321 Y322K13-P15 WeakPolarHBondContact O-CD 3.37Å; K13-I321 HydrophobicContact CD-CG2 4.32Å; K13-I321 VanDerWaalsContact CE-CG2 3.5Å; K13-I321 WeakPolarHBondContact CE-O 3.43Å; K13-I321 HydrophobicContact CG-CG2 3.78Å; K13-I321 PolarHBondContact NZ-O 2.73Å; K13-Y322 HydrophobicContact CD-CD1 4.29Å; K13-Y322 HydrophobicContact CD-CE1 3.88Å; K13-Y322 HydrophobicContact CG-CE1 4.16Å
14V94.9Very high96.7Very high14 Ų1468.8 Ų68.89%0.08536%0.358CS..  trans-67124.3175.1-171.50000108.1Q16 M21V14-Q16 VanDerWaalsContact CG1-OE1 3.25Å; V14-M21 HydrophobicContact CB-CE 3.77Å; V14-M21 HydrophobicContact CG1-CE 3.28Å; V14-M21 HydrophobicContact CG1-SD 4.29Å
15P95.5Very high96.7Very high118 Ų11870.7 Ų70.777%0.76637%0.368SS*.  trans-76.7-25.6-173.728.6-34.2000113.2K13K13-P15 WeakPolarHBondContact O-CD 3.37Å
16Q96.1Very high96.8Very high88 Ų8875 Ų7541%0.41140%0.399SS..SBendtrans-72.3151.3177.5-60.695.2-33.100111.9V14 E20 M21V14-Q16 VanDerWaalsContact CG1-OE1 3.25Å; Q16-E20 WeakPolarHBondContact CA-OE2 3.42Å; Q16-E20 HydrophobicContact CB-CB 4.14Å; Q16-M21 HydrophobicContact CB-CE 4.21Å; Q16-M21 HydrophobicContact CB-CG 4Å; Q16-M21 WeakPolarHBondContact O-CE 3.4Å
17T96.8Very high96.9Very high50 Ų5078.7 Ų78.731%0.30741%0.412SS..  trans-73.2155.5163.464.10000110.6K19 E20 M21 N462T17-K19 PolarHBondContact O-N 3.46Å; T17-E20 PolarHBondContact N-OE2 3.37Å; T17-E20 WeakPolarHBondContact O-CB 3.43Å; T17-E20 PolarHBondContact O-N 3Å; T17-E20 VanDerWaalsContact O-N 3.07Å; T17-E20 VanDerWaalsContact OG1-CD 3.29Å; T17-E20 WeakPolarHBondContact OG1-CG 3.35Å; T17-E20 PolarHBondContact OG1-N 3.35Å; T17-E20 PolarHBondContact OG1-OE2 3.48Å; T17-M21 WeakPolarHBondContact O-CG 3.39Å; T17-M21 PolarHBondContact O-N 3.29Å; T17-N462 WeakPolarHBondContact CA-OD1 3.38Å
18M97.8Very high96.9Very high0 Ų078.2 Ų78.20%041%0.41CS..Hα-helixtrans-57.9-36.3175.2-68.6-172.2-74.600112.1E20 M21 F22 K49 L51 M428 N462 R463M18-E20 VanDerWaalsContact C-N 3.3Å; M18-E20 PolarHBondContact O-N 3.18Å; M18-M21 WeakPolarHBondContact O-CB 3.44Å; M18-M21 PolarHBondContact O-N 3.37Å; M18-M21 VanDerWaalsContact O-N 3.11Å; M18-F22 VanDerWaalsContact O-CD2 3.31Å; M18-F22 WeakPolarHBondContact O-CD2 3.44Å; M18-F22 PolarHBondContact O-N 3.13Å; M18-K49 HydrophobicContact SD-CB 4.36Å; M18-L51 HydrophobicContact CG-CD2 3.81Å; M18-L51 HydrophobicContact CG-CG 4.49Å; M18-M428 HydrophobicContact CB-CG 3.78Å; M18-M428 HydrophobicContact CB-SD 4.49Å; M18-M428 HydrophobicContact CE-CB 4.39Å; M18-M428 HydrophobicContact CE-CG 4.35Å; M18-N462 VanDerWaalsContact CE-C 3.46Å; M18-N462 PolarHBondContact N-OD1 2.97Å; M18-R463 VanDerWaalsContact CE-C 3.49Å; M18-R463 WeakPolarHBondContact CE-O 3.47Å
19K96.5Very high97Very high98 Ų9880.1 Ų80.143%0.42642%0.416SS..Hα-helixtrans-56.5-44.5175.5-170.9176.5-178.2175.50111.5T17 A23 E435T17-K19 PolarHBondContact O-N 3.46Å; K19-A23 WeakPolarHBondContact O-CB 3.47Å; K19-A23 PolarHBondContact O-N 3.2Å; K19-A23 VanDerWaalsContact O-N 3.11Å; K19-E435 IonicContact NZ-OE1 3.95Å
20E97.7Very high97.1Very high104 Ų10476.4 Ų76.449%0.48641%0.414SS..Hα-helixtrans-68-39.3175.6-69160.9152.300111.9Q16 T17 M18 F22 A23 A24Q16-E20 WeakPolarHBondContact CA-OE2 3.42Å; Q16-E20 HydrophobicContact CB-CB 4.14Å; T17-E20 PolarHBondContact N-OE2 3.37Å; T17-E20 WeakPolarHBondContact O-CB 3.43Å; T17-E20 PolarHBondContact O-N 3Å; T17-E20 VanDerWaalsContact O-N 3.07Å; T17-E20 VanDerWaalsContact OG1-CD 3.29Å; T17-E20 WeakPolarHBondContact OG1-CG 3.35Å; T17-E20 PolarHBondContact OG1-N 3.35Å; T17-E20 PolarHBondContact OG1-OE2 3.48Å; M18-E20 VanDerWaalsContact C-N 3.3Å; M18-E20 PolarHBondContact O-N 3.18Å; E20-F22 PolarHBondContact O-N 3.5Å; E20-A23 PolarHBondContact O-N 3.44Å; E20-A24 VanDerWaalsContact O-CB 3.31Å; E20-A24 WeakPolarHBondContact O-CB 3.06Å; E20-A24 PolarHBondContact O-N 3.15Å
21M98.1Very high97.2Very high13 Ų1375.3 Ų75.36%0.06441%0.406CS..Hα-helixtrans-61.7-42177.6-62.8178.3-156.600112.5V14 Q16 T17 M18 N25 R28 L51V14-M21 HydrophobicContact CB-CE 3.77Å; V14-M21 HydrophobicContact CG1-CE 3.28Å; V14-M21 HydrophobicContact CG1-SD 4.29Å; Q16-M21 HydrophobicContact CB-CE 4.21Å; Q16-M21 HydrophobicContact CB-CG 4Å; Q16-M21 WeakPolarHBondContact O-CE 3.4Å; T17-M21 WeakPolarHBondContact O-CG 3.39Å; T17-M21 PolarHBondContact O-N 3.29Å; M18-M21 WeakPolarHBondContact O-CB 3.44Å; M18-M21 PolarHBondContact O-N 3.37Å; M18-M21 VanDerWaalsContact O-N 3.11Å; M21-N25 PolarHBondContact O-N 3.05Å; M21-N25 VanDerWaalsContact O-N 3.15Å; M21-R28 PolarHBondContact SD-NH2 3.35Å; M21-R28 VanDerWaalsContact SD-NH2 3.44Å; M21-L51 HydrophobicContact CE-CD2 4.32Å
22F98.4Very high97.3Very high55 Ų5574.8 Ų74.824%0.24140%0.403CS..Hα-helixtrans-69.1-39.3175.7-85.7-86.5000112.1M18 E20 A24 N25 R28 S48 K49 M428M18-F22 VanDerWaalsContact O-CD2 3.31Å; M18-F22 WeakPolarHBondContact O-CD2 3.44Å; M18-F22 PolarHBondContact O-N 3.13Å; E20-F22 PolarHBondContact O-N 3.5Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 2.91Å; F22-N25 CarbonylContact O-C 3.57Å; F22-N25 PolarHBondContact O-N 3.43Å; F22-R28 HydrophobicContact CD1-CB 4.21Å; F22-R28 HydrophobicContact CD1-CG 4.45Å; F22-R28 HydrophobicContact CE1-CB 4.31Å; F22-R28 HydrophobicContact CE1-CG 4.3Å; F22-R28 HydrophobicContact CZ-CG 4.45Å; F22-S48 WeakPolarHBondContact CE2-O 3.12Å; F22-S48 VanDerWaalsContact CZ-OG 3.29Å; F22-S48 WeakPolarHBondContact CZ-OG 3.35Å; F22-K49 HydrophobicContact CE2-CG 4.09Å; F22-K49 HydrophobicContact CZ-CG 3.95Å; F22-M428 HydrophobicContact CD2-CE 4.49Å; F22-M428 HydrophobicContact CD2-SD 3.41Å; F22-M428 WeakPolarHBondContact CD2-SD 3.03Å; F22-M428 HydrophobicContact CE2-SD 3.34Å; F22-M428 WeakPolarHBondContact CE2-SD 3.22Å; F22-M428 HydrophobicContact CG-SD 4.25Å; F22-M428 HydrophobicContact CZ-SD 4.11Å
23A97.7Very high97.4Very high83 Ų8367 Ų6769%0.68637%0.371SS*.Hα-helixtrans-64.7-38.4176.700000112.3K19 E20K19-A23 WeakPolarHBondContact O-CB 3.47Å; K19-A23 PolarHBondContact O-N 3.2Å; K19-A23 VanDerWaalsContact O-N 3.11Å; E20-A23 PolarHBondContact O-N 3.44Å
24A97.4Very high97.6Very high86 Ų8663.4 Ų63.471%0.71136%0.356SS*.Hα-helixtrans-76.6-23.5179.800000113.6E20 F22E20-A24 VanDerWaalsContact O-CB 3.31Å; E20-A24 WeakPolarHBondContact O-CB 3.06Å; E20-A24 PolarHBondContact O-N 3.15Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 2.91Å
25N97.4Very high97.7Very high40 Ų4068 Ų6821%0.21438%0.379CS..  trans-133.694.4-177.2-177.61.2000112M21 F22 K27 R28 E31M21-N25 PolarHBondContact O-N 3.05Å; M21-N25 VanDerWaalsContact O-N 3.15Å; F22-N25 CarbonylContact O-C 3.57Å; F22-N25 PolarHBondContact O-N 3.43Å; N25-K27 PolarHBondContact O-N 3.34Å; N25-K27 VanDerWaalsContact O-N 3.1Å; N25-K27 WeakPolarHBondContact OD1-CA 3.31Å; N25-K27 WeakPolarHBondContact OD1-CB 3.49Å; N25-K27 PolarHBondContact OD1-N 2.9Å; N25-R28 HydrophobicContact CB-CB 4.2Å; N25-R28 WeakPolarHBondContact O-CB 3.49Å; N25-R28 PolarHBondContact O-N 2.99Å; N25-R28 PolarHBondContact OD1-N 3.31Å; N25-E31 PolarHBondContact ND2-OE2 3.45Å
26P97.2Very high97.9Very high126 Ų12663.4 Ų63.482%0.81835%0.348SS*.THydrogen-bonded Turntrans-61-18.8176-24.234.4000114.5
27K98Very high98Very high139 Ų13963.6 Ų63.660%0.60436%0.359SS*.THydrogen-bonded Turntrans-94.34.2178.4-64.4-175.2-178.8179.80113.2N25 F29 S30 E31N25-K27 PolarHBondContact O-N 3.34Å; N25-K27 VanDerWaalsContact O-N 3.1Å; N25-K27 WeakPolarHBondContact OD1-CA 3.31Å; N25-K27 WeakPolarHBondContact OD1-CB 3.49Å; N25-K27 PolarHBondContact OD1-N 2.9Å; K27-F29 VanDerWaalsContact C-N 3.27Å; K27-F29 PolarHBondContact O-N 3.26Å; K27-F29 VanDerWaalsContact O-N 3.16Å; K27-S30 PolarHBondContact O-N 3.09Å; K27-S30 PolarHBondContact O-OG 3.32Å; K27-E31 HydrophobicContact CB-CG 4.37Å; K27-E31 WeakPolarHBondContact O-CG 3.32Å; K27-E31 PolarHBondContact O-N 2.77Å
28R98.4Very high98.1Very high7 Ų762 Ų623%0.02635%0.348CS..Hα-helixtrans-53.1-41.5-175.3-172.3179.9175.976.71.2113.1M21 F22 N25 E31 F32 S48 N50 I52M21-R28 PolarHBondContact SD-NH2 3.35Å; M21-R28 VanDerWaalsContact SD-NH2 3.44Å; F22-R28 HydrophobicContact CD1-CB 4.21Å; F22-R28 HydrophobicContact CD1-CG 4.45Å; F22-R28 HydrophobicContact CE1-CB 4.31Å; F22-R28 HydrophobicContact CE1-CG 4.3Å; F22-R28 HydrophobicContact CZ-CG 4.45Å; N25-R28 HydrophobicContact CB-CB 4.2Å; N25-R28 WeakPolarHBondContact O-CB 3.49Å; N25-R28 PolarHBondContact O-N 2.99Å; N25-R28 PolarHBondContact OD1-N 3.31Å; R28-E31 PolarHBondContact O-N 3.29Å; R28-F32 HydrophobicContact CG-CD2 3.71Å; R28-F32 HydrophobicContact CG-CE2 4.25Å; R28-F32 WeakPolarHBondContact O-CB 3.29Å; R28-F32 WeakPolarHBondContact O-CD2 3.33Å; R28-F32 PolarHBondContact O-N 3.27Å; R28-S48 PolarHBondContact NE-O 3.24Å; R28-S48 PolarHBondContact NH2-O 2.68Å; R28-S48 VanDerWaalsContact NH2-O 3.12Å; R28-N50 PolarHBondContact NH2-O 3.31Å; R28-I52 PolarHBondContact NH1-O 3.2Å; R28-I52 PolarHBondContact NH2-O 2.99Å
29F98.7Very high98Very high93 Ų9367.3 Ų67.341%0.40838%0.383SS..Hα-helixtrans-59-51.5175169.8-99.4000111.7K27 E31 F32 S33 L44 D46K27-F29 VanDerWaalsContact C-N 3.27Å; K27-F29 PolarHBondContact O-N 3.26Å; K27-F29 VanDerWaalsContact O-N 3.16Å; F29-E31 PolarHBondContact O-N 2.92Å; F29-F32 CarbonylContact O-C 3.52Å; F29-F32 PolarHBondContact O-N 3.07Å; F29-S33 WeakPolarHBondContact O-CB 3.45Å; F29-S33 PolarHBondContact O-N 3.36Å; F29-S33 PolarHBondContact O-OG 3.26Å; F29-L44 HydrophobicContact CE2-CD1 4.42Å; F29-L44 HydrophobicContact CE2-CD2 4.42Å; F29-L44 HydrophobicContact CZ-CD1 4.15Å; F29-L44 HydrophobicContact CZ-CD2 4.27Å; F29-D46 HydrophobicContact CE2-CB 4.06Å
30S97.9Very high97.9Very high78 Ų7864.1 Ų64.155%0.54538%0.378SS..Hα-helixtrans-65.8-27.2-179.249.90000113.5K27K27-S30 PolarHBondContact O-N 3.09Å; K27-S30 PolarHBondContact O-OG 3.32Å
31E98.1Very high97.9Very high84 Ų8459.9 Ų59.939%0.39336%0.362SS..Hα-helixtrans-80.9-36177.5-70.2174.5-173.100112.4N25 K27 R28 F29N25-E31 PolarHBondContact ND2-OE2 3.45Å; K27-E31 HydrophobicContact CB-CG 4.37Å; K27-E31 WeakPolarHBondContact O-CG 3.32Å; K27-E31 PolarHBondContact O-N 2.77Å; R28-E31 PolarHBondContact O-N 3.29Å; F29-E31 PolarHBondContact O-N 2.92Å
32F98.7Very high98Very high6 Ų661.7 Ų61.73%0.02637%0.374CS..SBendtrans-115.641.7-176.4-60.1-79.4000112.2R28 F29 Y47 S48 I52 F57R28-F32 HydrophobicContact CG-CD2 3.71Å; R28-F32 HydrophobicContact CG-CE2 4.25Å; R28-F32 WeakPolarHBondContact O-CB 3.29Å; R28-F32 WeakPolarHBondContact O-CD2 3.33Å; R28-F32 PolarHBondContact O-N 3.27Å; F29-F32 CarbonylContact O-C 3.52Å; F29-F32 PolarHBondContact O-N 3.07Å; F32-Y47 HydrophobicContact CB-CD2 4.12Å; F32-Y47 HydrophobicContact CB-CE2 3.93Å; F32-Y47 HydrophobicContact CD1-CD2 4.38Å; F32-Y47 AromaticContact CD1-CE2 3.77Å; F32-Y47 HydrophobicContact CD1-CE2 3.77Å; F32-Y47 HydrophobicContact CG-CE2 4.36Å; F32-Y47 CarbonylContact O-C 3.43Å; F32-Y47 WeakPolarHBondContact O-CD1 3.41Å; F32-Y47 WeakPolarHBondContact O-CE1 3.27Å; F32-Y47 PolarHBondContact O-N 3.35Å; F32-S48 PolarHBondContact O-N 3.18Å; F32-I52 HydrophobicContact CD1-CD1 3.49Å; F32-I52 VanDerWaalsContact CD1-CD1 3.49Å; F32-I52 HydrophobicContact CD1-CG1 4.17Å; F32-I52 HydrophobicContact CE1-CD1 3.78Å; F32-I52 HydrophobicContact CE1-CG1 4.21Å; F32-I52 HydrophobicContact CG-CD1 4.38Å; F32-F57 HydrophobicContact CE1-CB 4.06Å; F32-F57 HydrophobicContact CE1-CG 4.3Å
33S98.9Very high98Very high11 Ų1159.1 Ų59.18%0.07736%0.362CS..EExtended strand (participates in β ladder)trans-138.7156.1166.262.90000110.4F29 L45F29-S33 WeakPolarHBondContact O-CB 3.45Å; F29-S33 PolarHBondContact O-N 3.36Å; F29-S33 PolarHBondContact O-OG 3.26Å; S33-L45 CarbonylContact C-O 3.51Å; S33-L45 WeakPolarHBondContact CA-O 3.44Å; S33-L45 WeakPolarHBondContact CB-O 3.19Å
34Q98.8Very high98.1Very high39 Ų3956.9 Ų56.918%0.18234%0.339CS..EExtended strand (participates in β ladder)trans-131.8136.2172.4-66.6-60.6-60.600109.6L44 L45 Y47 K305 L307 I310Q34-L44 WeakPolarHBondContact O-CA 3.48Å; Q34-L45 PolarHBondContact N-O 3.11Å; Q34-L45 PolarHBondContact O-N 3.4Å; Q34-Y47 HydrophobicContact CG-CE1 4.12Å; Q34-K305 VanDerWaalsContact OE1-CB 3.31Å; Q34-L307 HydrophobicContact CB-CD1 3.59Å; Q34-L307 HydrophobicContact CG-CD1 4.39Å; Q34-I310 HydrophobicContact CG-CD1 3.74Å
35I98.8Very high98.1Very high109 Ų10952.8 Ų52.856%0.55931%0.305SS*.EExtended strand (participates in β ladder)trans-110.9120.2174.6-62.5173.9000107.7T42 L44I35-T42 HydrophobicContact CG2-CG2 3.44Å; I35-T42 VanDerWaalsContact CG2-CG2 3.44Å; I35-L44 HydrophobicContact CG1-CD1 3.76Å
36L98.8Very high98.2Very high23 Ų2351.5 Ų51.512%0.1230%0.298CS..EExtended strand (participates in β ladder)trans-106.1108.3172.8179.159.9000108.9L38 T42 I43 M294 H297 L307L36-L38 HydrophobicContact CD1-CD2 3.91Å; L36-L38 HydrophobicContact CD2-CD1 4.37Å; L36-L38 HydrophobicContact CD2-CD2 3.87Å; L36-L38 HydrophobicContact CD2-CG 4.28Å; L36-L38 HydrophobicContact CG-CD2 3.64Å; L36-L38 HydrophobicContact CG-CG 3.96Å; L36-T42 WeakPolarHBondContact O-CA 3.38Å; L36-I43 PolarHBondContact N-O 2.85Å; L36-I43 PolarHBondContact O-N 3Å; L36-M294 HydrophobicContact CD2-CE 3.5Å; L36-M294 HydrophobicContact CD2-SD 4.26Å; L36-H297 HydrophobicContact CD1-CB 4.43Å; L36-H297 HydrophobicContact CD2-CB 4.26Å; L36-L307 HydrophobicContact CB-CD1 4.37Å; L36-L307 HydrophobicContact CB-CD2 4.07Å; L36-L307 HydrophobicContact CD2-CD2 4.2Å
37S98.5Very high98.3Very high91 Ų9145.6 Ų45.664%0.63626%0.259SS*.EExtended strand (participates in β ladder)trans-87117.3173.1-66.10000109.7
38L98.1Very high98.3Very high18 Ų1839 Ų399%0.09423%0.231CC..EExtended strand (participates in β ladder)trans-113.2156.7177.5-53.3172.8000110.2L36 G40 G41 I43 E293 Y476 I477 A480L36-L38 HydrophobicContact CD1-CD2 3.91Å; L36-L38 HydrophobicContact CD2-CD1 4.37Å; L36-L38 HydrophobicContact CD2-CD2 3.87Å; L36-L38 HydrophobicContact CD2-CG 4.28Å; L36-L38 HydrophobicContact CG-CD2 3.64Å; L36-L38 HydrophobicContact CG-CG 3.96Å; L38-G40 PolarHBondContact O-N 3.44Å; L38-G40 VanDerWaalsContact O-N 3.14Å; L38-G41 CarbonylContact C-O 3.52Å; L38-G41 WeakPolarHBondContact CA-O 3.32Å; L38-G41 VanDerWaalsContact CB-O 3.24Å; L38-G41 WeakPolarHBondContact CB-O 3.36Å; L38-G41 PolarHBondContact N-O 2.71Å; L38-G41 PolarHBondContact O-N 3.1Å; L38-I43 HydrophobicContact CD1-CD1 4.01Å; L38-I43 HydrophobicContact CD1-CG1 4.49Å; L38-E293 HydrophobicContact CD2-CB 4.14Å; L38-Y476 HydrophobicContact CB-CE1 3.66Å; L38-Y476 HydrophobicContact CD1-CE1 3.94Å; L38-Y476 HydrophobicContact CG-CE1 4.39Å; L38-I477 HydrophobicContact CD1-CD1 4.41Å; L38-A480 HydrophobicContact CD1-CB 3.78Å
39P96.9Very high98.3Very high111 Ų11140 Ų4072%0.72124%0.235SC*.THydrogen-bonded Turntrans-47.9-37.9171-30.730.6000115.1Y476P39-Y476 WeakPolarHBondContact CD-OH 3.41Å
40G94.3Very high98.3Very high31 Ų3135.6 Ų35.632%0.3222%0.216SC..THydrogen-bonded Turntrans-90.53.4-178.700000115.9L38L38-G40 PolarHBondContact O-N 3.44Å; L38-G40 VanDerWaalsContact O-N 3.14Å
41G97.8Very high98.4Very high15 Ų1532.4 Ų32.416%0.15519%0.193CC..EExtended strand (participates in β ladder)trans140.9-177.7-178.700000113.2L38L38-G41 CarbonylContact C-O 3.52Å; L38-G41 WeakPolarHBondContact CA-O 3.32Å; L38-G41 VanDerWaalsContact CB-O 3.24Å; L38-G41 WeakPolarHBondContact CB-O 3.36Å; L38-G41 PolarHBondContact N-O 2.71Å; L38-G41 PolarHBondContact O-N 3.1Å
42T98.7Very high98.4Very high51 Ų5128.4 Ų28.431%0.31317%0.174SC..EExtended strand (participates in β ladder)trans-110.8144.3-178.1-56.80000110.6I35 L36 F470 T471I35-T42 HydrophobicContact CG2-CG2 3.44Å; I35-T42 VanDerWaalsContact CG2-CG2 3.44Å; L36-T42 WeakPolarHBondContact O-CA 3.38Å; T42-F470 CarbonylContact O-C 3.26Å; T42-F470 WeakPolarHBondContact O-CA 3.29Å; T42-T471 PolarHBondContact N-OG1 2.77Å; T42-T471 PolarHBondContact O-N 3.25Å; T42-T471 PolarHBondContact O-OG1 2.94Å
43I98.9Very high98.3Very high0 Ų030.5 Ų30.50%019%0.186CC..EExtended strand (participates in β ladder)trans-119.4123.5170.2-56.1175.7000108.2L36 L38 M294 L307 I468 F470 I477 A480 L481L36-I43 PolarHBondContact N-O 2.85Å; L36-I43 PolarHBondContact O-N 3Å; L38-I43 HydrophobicContact CD1-CD1 4.01Å; L38-I43 HydrophobicContact CD1-CG1 4.49Å; I43-M294 HydrophobicContact CD1-CE 4.22Å; I43-L307 HydrophobicContact CG2-CD2 4.17Å; I43-I468 HydrophobicContact CG2-CG2 4.2Å; I43-F470 HydrophobicContact CG1-CB 4.12Å; I43-I477 HydrophobicContact CD1-CD1 4.42Å; I43-I477 HydrophobicContact CG1-CD1 4.14Å; I43-A480 HydrophobicContact CD1-CB 3.86Å; I43-L481 HydrophobicContact CD1-CD2 4.2Å; I43-L481 HydrophobicContact CD1-CG 4.48Å; I43-L481 HydrophobicContact CG2-CD2 4.47Å
44L98.9Very high98.2Very high37 Ų3733.9 Ų33.919%0.19421%0.206CC..EExtended strand (participates in β ladder)trans-99.7123.7167.9167.266.1000108.3F29 Q34 I35 I468 V469F29-L44 HydrophobicContact CE2-CD1 4.42Å; F29-L44 HydrophobicContact CE2-CD2 4.42Å; F29-L44 HydrophobicContact CZ-CD1 4.15Å; F29-L44 HydrophobicContact CZ-CD2 4.27Å; Q34-L44 WeakPolarHBondContact O-CA 3.48Å; I35-L44 HydrophobicContact CG1-CD1 3.76Å; L44-I468 CarbonylContact O-C 3.59Å; L44-I468 WeakPolarHBondContact O-CA 3.44Å; L44-V469 HydrophobicContact CB-CB 4.32Å; L44-V469 HydrophobicContact CD2-CB 4.4Å; L44-V469 PolarHBondContact N-O 2.7Å; L44-V469 PolarHBondContact O-N 2.9Å
45L98.9Very high98.1Very high0 Ų038.4 Ų38.40%023%0.227CC..EExtended strand (participates in β ladder)trans-102.4102.8161.6173.562.2000108.2S33 Q34 Y47 L307 I310 L311 N466 I468S33-L45 CarbonylContact C-O 3.51Å; S33-L45 WeakPolarHBondContact CA-O 3.44Å; S33-L45 WeakPolarHBondContact CB-O 3.19Å; Q34-L45 PolarHBondContact N-O 3.11Å; Q34-L45 PolarHBondContact O-N 3.4Å; L45-Y47 HydrophobicContact CD2-CD1 4.34Å; L45-Y47 HydrophobicContact CG-CD1 4.07Å; L45-L307 HydrophobicContact CB-CD2 4.27Å; L45-L307 HydrophobicContact CB-CG 3.98Å; L45-L307 HydrophobicContact CD2-CB 4.22Å; L45-L307 HydrophobicContact CD2-CG 3.97Å; L45-I310 HydrophobicContact CD2-CB 4.25Å; L45-I310 HydrophobicContact CD2-CG2 4.04Å; L45-L311 HydrophobicContact CD1-CD2 3.69Å; L45-L311 HydrophobicContact CD1-CG 4.24Å; L45-L311 HydrophobicContact CD2-CD2 4.25Å; L45-L311 HydrophobicContact CD2-CG 3.98Å; L45-N466 HydrophobicContact CD1-CB 4.27Å; L45-I468 HydrophobicContact CD1-CG1 3.84Å
46D98.9Very high98Very high12 Ų1233.4 Ų33.46%0.06420%0.202CC..EExtended strand (participates in β ladder)trans-90.3111.3166.2172.523.2000108.9F29 S48 K49 N466 S467F29-D46 HydrophobicContact CE2-CB 4.06Å; D46-S48 WeakPolarHBondContact OD1-CB 3.35Å; D46-S48 PolarHBondContact OD1-N 3.04Å; D46-S48 PolarHBondContact OD1-OG 3.39Å; D46-K49 IonicContact OD2-NZ 2.99Å; D46-K49 PolarHBondContact OD2-NZ 3.3Å; D46-N466 WeakPolarHBondContact O-CA 3.43Å; D46-S467 PolarHBondContact N-O 3.06Å; D46-S467 PolarHBondContact O-N 2.88Å
47Y98.9Very high98Very high2 Ų233 Ų331%0.00820%0.199CC..  trans-115.819.2176.262.8-78.5000111.4F32 Q34 L45 K49 N50 I52 F57 I310 L314 N466F32-Y47 HydrophobicContact CB-CD2 4.12Å; F32-Y47 HydrophobicContact CB-CE2 3.93Å; F32-Y47 HydrophobicContact CD1-CD2 4.38Å; F32-Y47 AromaticContact CD1-CE2 3.77Å; F32-Y47 HydrophobicContact CD1-CE2 3.77Å; F32-Y47 HydrophobicContact CG-CE2 4.36Å; F32-Y47 CarbonylContact O-C 3.43Å; F32-Y47 WeakPolarHBondContact O-CD1 3.41Å; F32-Y47 WeakPolarHBondContact O-CE1 3.27Å; F32-Y47 PolarHBondContact O-N 3.35Å; Q34-Y47 HydrophobicContact CG-CE1 4.12Å; L45-Y47 HydrophobicContact CD2-CD1 4.34Å; L45-Y47 HydrophobicContact CG-CD1 4.07Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 3.01Å; Y47-N50 WeakPolarHBondContact CA-ND2 3.3Å; Y47-N50 WeakPolarHBondContact O-CB 3.28Å; Y47-N50 PolarHBondContact O-ND2 3.25Å; Y47-I52 HydrophobicContact CD2-CD1 3.88Å; Y47-I52 HydrophobicContact CE2-CD1 4.08Å; Y47-F57 HydrophobicContact CE2-CD2 4.25Å; Y47-F57 AromaticContact CE2-CE2 3.76Å; Y47-F57 HydrophobicContact CE2-CE2 3.76Å; Y47-F57 HydrophobicContact CE2-CZ 4.01Å; Y47-I310 HydrophobicContact CD1-CG2 3.86Å; Y47-I310 HydrophobicContact CD2-CG2 3.77Å; Y47-I310 HydrophobicContact CE1-CD1 4.04Å; Y47-I310 HydrophobicContact CE1-CG2 4.02Å; Y47-I310 HydrophobicContact CE2-CG2 3.88Å; Y47-I310 HydrophobicContact CG-CG2 3.75Å; Y47-L314 HydrophobicContact CD2-CD1 4.18Å; Y47-L314 HydrophobicContact CG-CD1 4.27Å; Y47-N466 WeakPolarHBondContact CB-OD1 3.42Å
48S98.8Very high98Very high1 Ų133.2 Ų33.21%0.00719%0.193CC..  trans-71.9-24.6-178.666.20000113.4F22 R28 F32 D46 N50F22-S48 WeakPolarHBondContact CE2-O 3.12Å; F22-S48 VanDerWaalsContact CZ-OG 3.29Å; F22-S48 WeakPolarHBondContact CZ-OG 3.35Å; R28-S48 PolarHBondContact NE-O 3.24Å; R28-S48 PolarHBondContact NH2-O 2.68Å; R28-S48 VanDerWaalsContact NH2-O 3.12Å; F32-S48 PolarHBondContact O-N 3.18Å; D46-S48 WeakPolarHBondContact OD1-CB 3.35Å; D46-S48 PolarHBondContact OD1-N 3.04Å; D46-S48 PolarHBondContact OD1-OG 3.39Å; S48-N50 PolarHBondContact O-N 3.18Å; S48-N50 VanDerWaalsContact O-N 3.12Å
49K98.9Very high98Very high28 Ų2835.1 Ų35.112%0.12220%0.202CC..SBendtrans-85.244.8172.7-55.3-171.7-166.874.50112.3M18 F22 D46 Y47 M428 P464 S465M18-K49 HydrophobicContact SD-CB 4.36Å; F22-K49 HydrophobicContact CE2-CG 4.09Å; F22-K49 HydrophobicContact CZ-CG 3.95Å; D46-K49 IonicContact OD2-NZ 2.99Å; D46-K49 PolarHBondContact OD2-NZ 3.3Å; Y47-K49 VanDerWaalsContact C-N 3.31Å; Y47-K49 PolarHBondContact O-N 3.01Å; K49-M428 HydrophobicContact CD-CB 4.31Å; K49-M428 HydrophobicContact CD-SD 4.18Å; K49-M428 HydrophobicContact CG-SD 4.02Å; K49-P464 VanDerWaalsContact O-CA 3.29Å; K49-P464 WeakPolarHBondContact O-CA 3.3Å; K49-S465 PolarHBondContact O-N 3.12Å
50N98.9Very high98.1Very high1 Ų129.9 Ų29.91%0.00517%0.167CC..SBendtrans-121157.8171.7-74.9-80.5000111.1R28 Y47 S48 I52 L314 Y318 N466R28-N50 PolarHBondContact NH2-O 3.31Å; Y47-N50 WeakPolarHBondContact CA-ND2 3.3Å; Y47-N50 WeakPolarHBondContact O-CB 3.28Å; Y47-N50 PolarHBondContact O-ND2 3.25Å; S48-N50 PolarHBondContact O-N 3.18Å; S48-N50 VanDerWaalsContact O-N 3.12Å; N50-I52 HydrophobicContact CB-CG1 4.13Å; N50-I52 PolarHBondContact O-N 2.98Å; N50-L314 HydrophobicContact CB-CD2 4.01Å; N50-Y318 WeakPolarHBondContact CA-OH 3.26Å; N50-Y318 VanDerWaalsContact CB-OH 3.22Å; N50-Y318 WeakPolarHBondContact CB-OH 3.28Å; N50-Y318 VanDerWaalsContact CG-OH 3.31Å; N50-Y318 WeakPolarHBondContact OD1-CE2 3.38Å; N50-Y318 PolarHBondContact OD1-OH 2.71Å; N50-N466 PolarHBondContact ND2-OD1 2.92Å
51L98.3Very high98.3Very high10 Ų1028.8 Ų28.85%0.05215%0.154CC..SBendtrans-78.657.7179.9-66.2170000112.2M18 M21 Y318 Y322 N462M18-L51 HydrophobicContact CG-CD2 3.81Å; M18-L51 HydrophobicContact CG-CG 4.49Å; M21-L51 HydrophobicContact CE-CD2 4.32Å; L51-Y318 HydrophobicContact CD1-CE1 4.41Å; L51-Y318 PolarHBondContact N-OH 2.94Å; L51-Y318 VanDerWaalsContact N-OH 3.17Å; L51-Y322 WeakPolarHBondContact CB-OH 3.32Å; L51-Y322 HydrophobicContact CD1-CD1 4.39Å; L51-Y322 HydrophobicContact CD1-CE1 3.71Å; L51-N462 WeakPolarHBondContact CD2-OD1 3.35Å
52I98.3Very high98.3Very high0 Ų033.5 Ų33.50%017%0.17CC..  trans-130.1152.6-179.661169.2000111.9R28 F32 Y47 N50 S56 F57 L60 L314 M317R28-I52 PolarHBondContact NH1-O 3.2Å; R28-I52 PolarHBondContact NH2-O 2.99Å; F32-I52 HydrophobicContact CD1-CD1 3.49Å; F32-I52 VanDerWaalsContact CD1-CD1 3.49Å; F32-I52 HydrophobicContact CD1-CG1 4.17Å; F32-I52 HydrophobicContact CE1-CD1 3.78Å; F32-I52 HydrophobicContact CE1-CG1 4.21Å; F32-I52 HydrophobicContact CG-CD1 4.38Å; Y47-I52 HydrophobicContact CD2-CD1 3.88Å; Y47-I52 HydrophobicContact CE2-CD1 4.08Å; N50-I52 HydrophobicContact CB-CG1 4.13Å; N50-I52 PolarHBondContact O-N 2.98Å; I52-S56 WeakPolarHBondContact CA-OG 3.39Å; I52-F57 HydrophobicContact CD1-CB 4.35Å; I52-F57 HydrophobicContact CD1-CD2 4.03Å; I52-F57 HydrophobicContact CD1-CG 4.45Å; I52-L60 HydrophobicContact CG2-CD1 4.06Å; I52-L314 HydrophobicContact CD1-CD2 4.21Å; I52-L314 HydrophobicContact CG2-CD2 4.01Å; I52-M317 HydrophobicContact CG2-CE 3.8Å; I52-M317 HydrophobicContact CG2-SD 3.68Å
53D96.8Very high98.3Very high50 Ų5031.2 Ų31.227%0.26716%0.156SC..  trans-123.2-177.8163.962.514.9000108.9Q55 S56 F57D53-Q55 VanDerWaalsContact C-N 3.3Å; D53-Q55 PolarHBondContact O-N 3.39Å; D53-Q55 PolarHBondContact OD1-N 3.04Å; D53-S56 PolarHBondContact N-OG 2.91Å; D53-S56 PolarHBondContact O-OG 3.32Å; D53-S56 VanDerWaalsContact OD1-CB 3.31Å; D53-S56 WeakPolarHBondContact OD1-CB 3.25Å; D53-S56 PolarHBondContact OD1-N 3.45Å; D53-S56 PolarHBondContact OD1-OG 3.46Å; D53-F57 VanDerWaalsContact O-CB 3.28Å; D53-F57 WeakPolarHBondContact O-CB 3.31Å; D53-F57 PolarHBondContact O-N 3.43Å
54T96.4Very high98.3Very high82 Ų8231.2 Ų31.250%0.50316%0.156SC..Hα-helixtrans-59.5-42.7-179-50.60000111.6F57 D58T54-F57 PolarHBondContact O-N 3.17Å; T54-D58 WeakPolarHBondContact O-CB 3.41Å; T54-D58 VanDerWaalsContact O-CG 3.27Å; T54-D58 PolarHBondContact O-N 3.27Å
55Q97Very high98.3Very high135 Ų13534.6 Ų34.663%0.63117%0.169SC*.Hα-helixtrans-67.3-47.9-176.8-177.5178.710.800112.3D53 F57 D58 Q59D53-Q55 VanDerWaalsContact C-N 3.3Å; D53-Q55 PolarHBondContact O-N 3.39Å; D53-Q55 PolarHBondContact OD1-N 3.04Å; Q55-F57 VanDerWaalsContact C-N 3.34Å; Q55-D58 PolarHBondContact O-N 2.8Å; Q55-Q59 WeakPolarHBondContact O-CG 3.38Å; Q55-Q59 PolarHBondContact O-N 2.89Å
56S97.4Very high98.3Very high3 Ų338.2 Ų38.22%0.02119%0.189CC..Hα-helixtrans-66.1-37.1177.951.70000111.4I52 D53 Q59 L60I52-S56 WeakPolarHBondContact CA-OG 3.39Å; D53-S56 PolarHBondContact N-OG 2.91Å; D53-S56 PolarHBondContact O-OG 3.32Å; D53-S56 VanDerWaalsContact OD1-CB 3.31Å; D53-S56 WeakPolarHBondContact OD1-CB 3.25Å; D53-S56 PolarHBondContact OD1-N 3.45Å; D53-S56 PolarHBondContact OD1-OG 3.46Å; S56-Q59 PolarHBondContact O-N 3.5Å; S56-L60 VanDerWaalsContact O-CG 3.32Å; S56-L60 WeakPolarHBondContact O-CG 3.47Å; S56-L60 PolarHBondContact O-N 2.94Å
57F98.3Very high98.2Very high15 Ų1538.5 Ų38.57%0.06619%0.191CC..Hα-helixtrans-63.9-43.6172.6-174.8-113.2000112.1F32 Y47 I52 D53 T54 Q55 Q59 L60 I61 H304 I310F32-F57 HydrophobicContact CE1-CB 4.06Å; F32-F57 HydrophobicContact CE1-CG 4.3Å; Y47-F57 HydrophobicContact CE2-CD2 4.25Å; Y47-F57 AromaticContact CE2-CE2 3.76Å; Y47-F57 HydrophobicContact CE2-CE2 3.76Å; Y47-F57 HydrophobicContact CE2-CZ 4.01Å; I52-F57 HydrophobicContact CD1-CB 4.35Å; I52-F57 HydrophobicContact CD1-CD2 4.03Å; I52-F57 HydrophobicContact CD1-CG 4.45Å; D53-F57 VanDerWaalsContact O-CB 3.28Å; D53-F57 WeakPolarHBondContact O-CB 3.31Å; D53-F57 PolarHBondContact O-N 3.43Å; T54-F57 PolarHBondContact O-N 3.17Å; Q55-F57 VanDerWaalsContact C-N 3.34Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 2.88Å; F57-L60 WeakPolarHBondContact O-CB 3.48Å; F57-L60 PolarHBondContact O-N 2.98Å; F57-L60 VanDerWaalsContact O-N 3.1Å; F57-I61 HydrophobicContact CD1-CG1 4.33Å; F57-I61 HydrophobicContact CE1-CD1 4.41Å; F57-I61 HydrophobicContact CE1-CG1 3.98Å; F57-I61 HydrophobicContact CE2-CD1 4.08Å; F57-I61 HydrophobicContact CE2-CG1 4.23Å; F57-I61 HydrophobicContact CZ-CD1 3.87Å; F57-I61 HydrophobicContact CZ-CG1 3.93Å; F57-I61 WeakPolarHBondContact O-CG1 3.46Å; F57-I61 PolarHBondContact O-N 3.38Å; F57-H304 HydrophobicContact CE1-CB 4.21Å; F57-I310 HydrophobicContact CE2-CG1 4.28Å; F57-I310 HydrophobicContact CE2-CG2 4.38Å; F57-I310 HydrophobicContact CZ-CD1 4.41Å; F57-I310 HydrophobicContact CZ-CG1 4.05Å
58D98.2Very high98.2Very high96 Ų9643.2 Ų43.251%0.51322%0.217SC..Hα-helixtrans-60.6-38.8174.9-74.5-21.5000112.1T54 Q55 I61 K62T54-D58 WeakPolarHBondContact O-CB 3.41Å; T54-D58 VanDerWaalsContact O-CG 3.27Å; T54-D58 PolarHBondContact O-N 3.27Å; Q55-D58 PolarHBondContact O-N 2.8Å; D58-I61 PolarHBondContact O-N 3.5Å; D58-K62 WeakPolarHBondContact O-CB 3.5Å; D58-K62 PolarHBondContact O-N 3.38Å
59Q98.4Very high98.2Very high58 Ų5843.2 Ų43.227%0.27122%0.217SC..Hα-helixtrans-63.3-39.4173.5-73-178.8-22.500112.4F7 F11 Q55 S56 F57 K62 L63F7-Q59 HydrophobicContact CE2-CB 4.49Å; F11-Q59 HydrophobicContact CD2-CB 4.15Å; F11-Q59 VanDerWaalsContact CD2-OE1 3.27Å; F11-Q59 HydrophobicContact CE2-CB 4.4Å; Q55-Q59 WeakPolarHBondContact O-CG 3.38Å; Q55-Q59 PolarHBondContact O-N 2.89Å; S56-Q59 PolarHBondContact O-N 3.5Å; F57-Q59 VanDerWaalsContact C-N 3.29Å; F57-Q59 PolarHBondContact O-N 2.88Å; Q59-K62 PolarHBondContact O-N 3.21Å; Q59-L63 PolarHBondContact O-N 3.44Å
60L98.7Very high98.2Very high0 Ų045.6 Ų45.60%023%0.228CC..Hα-helixtrans-65.7-43.3176-73.2170.7000112.1F7 F11 I52 S56 F57 K62 L63 A64 V313 M317F7-L60 HydrophobicContact CE1-CD2 4.5Å; F7-L60 HydrophobicContact CE2-CD2 3.68Å; F7-L60 HydrophobicContact CE2-CG 4.31Å; F7-L60 HydrophobicContact CZ-CD2 3.44Å; F7-L60 VanDerWaalsContact CZ-CD2 3.44Å; F7-L60 HydrophobicContact CZ-CG 4.42Å; F11-L60 HydrophobicContact CE2-CD2 4.34Å; F11-L60 HydrophobicContact CE2-CG 4.11Å; I52-L60 HydrophobicContact CG2-CD1 4.06Å; S56-L60 VanDerWaalsContact O-CG 3.32Å; S56-L60 WeakPolarHBondContact O-CG 3.47Å; S56-L60 PolarHBondContact O-N 2.94Å; F57-L60 WeakPolarHBondContact O-CB 3.48Å; F57-L60 PolarHBondContact O-N 2.98Å; F57-L60 VanDerWaalsContact O-N 3.1Å; L60-K62 VanDerWaalsContact C-N 3.31Å; L60-K62 PolarHBondContact O-N 2.9Å; L60-L63 WeakPolarHBondContact O-CB 3.44Å; L60-L63 PolarHBondContact O-N 2.99Å; L60-A64 PolarHBondContact O-N 2.83Å; L60-V313 HydrophobicContact CB-CB 3.97Å; L60-V313 HydrophobicContact CB-CG2 3.88Å; L60-V313 HydrophobicContact CD2-CB 4.31Å; L60-M317 HydrophobicContact CD1-CB 4.33Å; L60-M317 HydrophobicContact CD1-SD 3.97Å; L60-M317 HydrophobicContact CD2-CB 3.83Å; L60-M317 HydrophobicContact CD2-CG 4.32Å
61I98.7Very high98.2Very high8 Ų851 Ų514%0.04125%0.252CS..Hα-helixtrans-65.7-38.2174.6-62.7-55.1000110.8F57 D58 L63 A64 K65 L303 H304 V309 V313F57-I61 HydrophobicContact CD1-CG1 4.33Å; F57-I61 HydrophobicContact CE1-CD1 4.41Å; F57-I61 HydrophobicContact CE1-CG1 3.98Å; F57-I61 HydrophobicContact CE2-CD1 4.08Å; F57-I61 HydrophobicContact CE2-CG1 4.23Å; F57-I61 HydrophobicContact CZ-CD1 3.87Å; F57-I61 HydrophobicContact CZ-CG1 3.93Å; F57-I61 WeakPolarHBondContact O-CG1 3.46Å; F57-I61 PolarHBondContact O-N 3.38Å; D58-I61 PolarHBondContact O-N 3.5Å; I61-L63 VanDerWaalsContact C-N 3.34Å; I61-A64 PolarHBondContact O-N 2.95Å; I61-K65 PolarHBondContact O-N 3.44Å; I61-K65 VanDerWaalsContact O-N 3.13Å; I61-L303 HydrophobicContact CG2-CB 3.98Å; I61-H304 HydrophobicContact CD1-CB 4.44Å; I61-H304 HydrophobicContact CG1-CB 4.09Å; I61-H304 HydrophobicContact CG2-CB 4.33Å; I61-V309 HydrophobicContact CD1-CG1 4.5Å; I61-V313 HydrophobicContact CD1-CG2 4.46Å
62K98.5Very high98.2Very high114 Ų11451.8 Ų51.850%0.49626%0.255SS..Hα-helixtrans-61.8-41.7173.7-166.6-170.5-173.7-50.80111.6D58 Q59 L60 A64 K65 D66D58-K62 WeakPolarHBondContact O-CB 3.5Å; D58-K62 PolarHBondContact O-N 3.38Å; Q59-K62 PolarHBondContact O-N 3.21Å; L60-K62 VanDerWaalsContact C-N 3.31Å; L60-K62 PolarHBondContact O-N 2.9Å; K62-A64 VanDerWaalsContact C-N 3.3Å; K62-A64 PolarHBondContact O-N 3.24Å; K62-K65 WeakPolarHBondContact O-CB 3.41Å; K62-K65 PolarHBondContact O-N 2.66Å; K62-K65 VanDerWaalsContact O-N 3.14Å; K62-D66 IonicContact NZ-OD1 3.25Å; K62-D66 PolarHBondContact NZ-OD1 3.05Å; K62-D66 IonicContact NZ-OD2 2.69Å; K62-D66 PolarHBondContact NZ-OD2 2.92Å; K62-D66 WeakPolarHBondContact O-CB 3.28Å; K62-D66 VanDerWaalsContact O-CG 3.28Å; K62-D66 PolarHBondContact O-N 3.46Å
63L98.7Very high98.2Very high3 Ų352.7 Ų52.72%0.01626%0.259CS..Hα-helixtrans-55.9-44.9174.517063.5000111.7A3 L4 F7 Q59 L60 I61 K65 D66 S67 V316 I495A3-L63 HydrophobicContact CB-CD1 4.13Å; L4-L63 HydrophobicContact CB-CD1 4.42Å; L4-L63 HydrophobicContact CD1-CD1 4.43Å; L4-L63 HydrophobicContact CD1-CD2 4.22Å; F7-L63 HydrophobicContact CB-CB 4.45Å; F7-L63 HydrophobicContact CB-CD1 3.81Å; F7-L63 HydrophobicContact CB-CD2 4.26Å; F7-L63 HydrophobicContact CB-CG 4.39Å; F7-L63 HydrophobicContact CD1-CD2 3.81Å; F7-L63 HydrophobicContact CD2-CB 3.9Å; F7-L63 HydrophobicContact CD2-CD2 3.94Å; F7-L63 HydrophobicContact CD2-CG 4.38Å; F7-L63 HydrophobicContact CE1-CD2 4.09Å; F7-L63 HydrophobicContact CE2-CB 4.45Å; F7-L63 HydrophobicContact CE2-CD2 4.2Å; F7-L63 HydrophobicContact CG-CB 4.26Å; F7-L63 HydrophobicContact CG-CD1 4.21Å; F7-L63 HydrophobicContact CG-CD2 3.74Å; F7-L63 HydrophobicContact CG-CG 4.29Å; F7-L63 HydrophobicContact CZ-CD2 4.3Å; Q59-L63 PolarHBondContact O-N 3.44Å; L60-L63 WeakPolarHBondContact O-CB 3.44Å; L60-L63 PolarHBondContact O-N 2.99Å; I61-L63 VanDerWaalsContact C-N 3.34Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 3.24Å; L63-D66 PolarHBondContact O-N 3.38Å; L63-S67 VanDerWaalsContact O-CB 3.26Å; L63-S67 WeakPolarHBondContact O-CB 3.34Å; L63-S67 PolarHBondContact O-N 2.69Å; L63-S67 PolarHBondContact O-OG 2.83Å; L63-V316 HydrophobicContact CD2-CG1 3.81Å; L63-I495 HydrophobicContact CD1-CG2 4.13Å; L63-I495 HydrophobicContact CD2-CG2 3.95Å; L63-I495 HydrophobicContact CG-CG2 4.07Å
64A98.7Very high98.3Very high0 Ų052.8 Ų52.80%026%0.26CS..Hα-helixtrans-61.4-42.317700000112L60 I61 K62 S67 V69 L303 V309 V313L60-A64 PolarHBondContact O-N 2.83Å; I61-A64 PolarHBondContact O-N 2.95Å; K62-A64 VanDerWaalsContact C-N 3.3Å; K62-A64 PolarHBondContact O-N 3.24Å; A64-S67 PolarHBondContact O-N 2.97Å; A64-V69 HydrophobicContact CB-CB 4.46Å; A64-V69 HydrophobicContact CB-CG2 4.1Å; A64-V69 VanDerWaalsContact O-CB 3.31Å; A64-V69 WeakPolarHBondContact O-CB 3.37Å; A64-V69 WeakPolarHBondContact O-CG2 3.17Å; A64-V69 PolarHBondContact O-N 2.82Å; A64-L303 HydrophobicContact CB-CD1 4.23Å; A64-V309 HydrophobicContact CB-CG1 4.2Å; A64-V313 HydrophobicContact CB-CG1 4.01Å
65K98.5Very high98.4Very high109 Ų10950.2 Ų50.247%0.47424%0.243SC..Hα-helixtrans-62.3-53175.5-67.7179.3177.7179.40111.9I61 K62 L63 S67 N68 L303I61-K65 PolarHBondContact O-N 3.44Å; I61-K65 VanDerWaalsContact O-N 3.13Å; K62-K65 WeakPolarHBondContact O-CB 3.41Å; K62-K65 PolarHBondContact O-N 2.66Å; K62-K65 VanDerWaalsContact O-N 3.14Å; L63-K65 VanDerWaalsContact C-N 3.34Å; L63-K65 PolarHBondContact O-N 3.24Å; K65-S67 PolarHBondContact O-N 3.28Å; K65-N68 PolarHBondContact O-N 3.36Å; K65-L303 HydrophobicContact CG-CD1 3.51Å
66D98.3Very high98.4Very high76 Ų7643.8 Ų43.841%0.40621%0.213SC..Hα-helixtrans-64.6-24.7-177.6-66-9.4000112.1A3 K62 L63 N68A3-D66 HydrophobicContact CB-CB 3.59Å; K62-D66 IonicContact NZ-OD1 3.25Å; K62-D66 PolarHBondContact NZ-OD1 3.05Å; K62-D66 IonicContact NZ-OD2 2.69Å; K62-D66 PolarHBondContact NZ-OD2 2.92Å; K62-D66 WeakPolarHBondContact O-CB 3.28Å; K62-D66 VanDerWaalsContact O-CG 3.28Å; K62-D66 PolarHBondContact O-N 3.46Å; L63-D66 PolarHBondContact O-N 3.38Å; D66-N68 PolarHBondContact O-N 2.81Å
67S98.3Very high98.4Very high17 Ų1744.5 Ų44.512%0.11922%0.216CC..THydrogen-bonded Turntrans-81.94.2173.9-54.30000113.6L63 A64 K65 V69 I494L63-S67 VanDerWaalsContact O-CB 3.26Å; L63-S67 WeakPolarHBondContact O-CB 3.34Å; L63-S67 PolarHBondContact O-N 2.69Å; L63-S67 PolarHBondContact O-OG 2.83Å; A64-S67 PolarHBondContact O-N 2.97Å; K65-S67 PolarHBondContact O-N 3.28Å; S67-V69 VanDerWaalsContact C-N 3.35Å; S67-V69 PolarHBondContact O-N 3.22Å; S67-I494 WeakPolarHBondContact O-CG2 3.17Å
68N97.6Very high98.4Very high101 Ų10148.6 Ų48.654%0.5424%0.235SC..THydrogen-bonded Turntrans60.835-179.1-59.5-60.5000114.6K65 D66 E70 K71 M72K65-N68 PolarHBondContact O-N 3.36Å; D66-N68 PolarHBondContact O-N 2.81Å; N68-E70 VanDerWaalsContact C-N 3.32Å; N68-E70 PolarHBondContact O-N 3.38Å; N68-K71 HydrophobicContact CB-CB 4.35Å; N68-K71 PolarHBondContact O-N 3.33Å; N68-M72 WeakPolarHBondContact O-CG 3.34Å; N68-M72 PolarHBondContact O-N 2.88Å
69V98.7Very high98.3Very high1 Ų144.3 Ų44.31%0.00621%0.214CC..Hα-helixtrans-57.6-43.1178.9168.80000112.2A64 S67 M72 R73 V491 I494 I495A64-V69 HydrophobicContact CB-CB 4.46Å; A64-V69 HydrophobicContact CB-CG2 4.1Å; A64-V69 VanDerWaalsContact O-CB 3.31Å; A64-V69 WeakPolarHBondContact O-CB 3.37Å; A64-V69 WeakPolarHBondContact O-CG2 3.17Å; A64-V69 PolarHBondContact O-N 2.82Å; S67-V69 VanDerWaalsContact C-N 3.35Å; S67-V69 PolarHBondContact O-N 3.22Å; V69-M72 PolarHBondContact O-N 3.41Å; V69-R73 VanDerWaalsContact O-CB 3.31Å; V69-R73 WeakPolarHBondContact O-CB 3.3Å; V69-R73 PolarHBondContact O-N 3.32Å; V69-V491 HydrophobicContact CG1-CB 4.43Å; V69-V491 HydrophobicContact CG1-CG1 4.05Å; V69-V491 HydrophobicContact CG1-CG2 3.84Å; V69-V491 HydrophobicContact CG2-CG1 4Å; V69-I494 HydrophobicContact CG2-CB 4.33Å; V69-I494 HydrophobicContact CG2-CG2 4.01Å; V69-I495 HydrophobicContact CG2-CG1 4.11Å
70E98.8Very high98.3Very high78 Ų7848.4 Ų48.436%0.36423%0.227SC..Hα-helixtrans-62.8-47.3179.9-67.5176.1109.300111.4N68 M72 R73 D74 L303N68-E70 VanDerWaalsContact C-N 3.32Å; N68-E70 PolarHBondContact O-N 3.38Å; E70-M72 PolarHBondContact O-N 3.45Å; E70-R73 WeakPolarHBondContact O-CB 3.23Å; E70-R73 PolarHBondContact O-N 3.18Å; E70-D74 PolarHBondContact O-N 3.42Å; E70-L303 HydrophobicContact CG-CD1 4.03Å; E70-L303 HydrophobicContact CG-CD2 3.9Å; E70-L303 HydrophobicContact CG-CG 4.16Å
71K98.4Very high98.3Very high114 Ų11452 Ų5250%0.49624%0.243SC..Hα-helixtrans-61-48.3176.9-172.5-164.7-180-440111.5N68 R73 D74 D75N68-K71 HydrophobicContact CB-CB 4.35Å; N68-K71 PolarHBondContact O-N 3.33Å; K71-R73 VanDerWaalsContact C-N 3.28Å; K71-R73 PolarHBondContact O-N 2.96Å; K71-D74 PolarHBondContact O-N 3.49Å; K71-D75 IonicContact NZ-OD1 3.8Å; K71-D75 PolarHBondContact NZ-OD1 2.81Å; K71-D75 IonicContact NZ-OD2 2.66Å; K71-D75 PolarHBondContact NZ-OD2 2.98Å; K71-D75 PolarHBondContact O-N 3.32Å
72M98.5Very high98.2Very high27 Ų2752 Ų5213%0.13324%0.243CC..Hα-helixtrans-65.2-34.7-178.2-73.5-61.5-57.400111.8N68 V69 E70 D75 M76 I82 F490 I494N68-M72 WeakPolarHBondContact O-CG 3.34Å; N68-M72 PolarHBondContact O-N 2.88Å; V69-M72 PolarHBondContact O-N 3.41Å; E70-M72 PolarHBondContact O-N 3.45Å; M72-D75 PolarHBondContact O-N 2.98Å; M72-M76 PolarHBondContact O-N 3.11Å; M72-I82 HydrophobicContact CE-CB 4.1Å; M72-I82 HydrophobicContact CE-CG2 4.01Å; M72-F490 HydrophobicContact CB-CZ 3.87Å; M72-F490 WeakPolarHBondContact O-CZ 3.38Å; M72-I494 HydrophobicContact CB-CD1 3.76Å; M72-I494 HydrophobicContact CB-CG1 3.84Å; M72-I494 HydrophobicContact CB-CG2 4.03Å; M72-I494 HydrophobicContact CE-CD1 3.66Å; M72-I494 HydrophobicContact CG-CD1 3.87Å; M72-I494 HydrophobicContact CG-CG1 4.25Å; M72-I494 HydrophobicContact CG-CG2 3.82Å
73R98.8Very high98.2Very high19 Ų1946.9 Ų46.97%0.07222%0.221CC..Hα-helixtrans-60.9-48.1172.4170.7-162.674.2-158.3-9.8110.1V69 E70 K71 D75 M76 M77 F298 K299 F490V69-R73 VanDerWaalsContact O-CB 3.31Å; V69-R73 WeakPolarHBondContact O-CB 3.3Å; V69-R73 PolarHBondContact O-N 3.32Å; E70-R73 WeakPolarHBondContact O-CB 3.23Å; E70-R73 PolarHBondContact O-N 3.18Å; K71-R73 VanDerWaalsContact C-N 3.28Å; K71-R73 PolarHBondContact O-N 2.96Å; R73-D75 VanDerWaalsContact C-N 3.32Å; R73-D75 PolarHBondContact O-N 2.86Å; R73-M76 WeakPolarHBondContact O-CB 3.39Å; R73-M76 PolarHBondContact O-N 3.27Å; R73-M77 HydrophobicContact CG-CE 3.6Å; R73-M77 HydrophobicContact CG-CG 4.47Å; R73-M77 HydrophobicContact CG-SD 3.82Å; R73-M77 WeakPolarHBondContact O-CG 3.49Å; R73-M77 PolarHBondContact O-N 2.88Å; R73-F298 HydrophobicContact CB-CE1 4.02Å; R73-F298 HydrophobicContact CB-CZ 4Å; R73-F298 WeakPolarHBondContact CD-O 3.33Å; R73-F298 HydrophobicContact CG-CD1 3.92Å; R73-F298 HydrophobicContact CG-CE1 3.44Å; R73-F298 VanDerWaalsContact CG-CE1 3.44Å; R73-F298 HydrophobicContact CG-CZ 3.82Å; R73-F298 PolarHBondContact NH1-O 2.94Å; R73-K299 PolarHBondContact NH1-O 2.91Å; R73-F490 HydrophobicContact CB-CE1 4.01Å; R73-F490 HydrophobicContact CB-CZ 4.43Å
74D98.6Very high98.2Very high53 Ų5350 Ų5028%0.28323%0.234SC..Hα-helixtrans-64.7-40.5-178.9-62-13.6000110.4E70 K71 M76 M77 E78E70-D74 PolarHBondContact O-N 3.42Å; K71-D74 PolarHBondContact O-N 3.49Å; D74-M76 VanDerWaalsContact C-N 3.35Å; D74-M76 PolarHBondContact O-N 2.91Å; D74-M77 PolarHBondContact O-N 2.84Å; D74-M77 VanDerWaalsContact O-N 3.09Å; D74-E78 WeakPolarHBondContact O-CB 3.46Å; D74-E78 WeakPolarHBondContact O-CG 3.33Å; D74-E78 PolarHBondContact O-N 3.25Å
75D98.4Very high98.2Very high28 Ų2852.7 Ų52.715%0.1525%0.251CS..Hα-helixtrans-58.5-42.9172.4-71.1-16.4000111.9K71 M72 R73 G79 R80 I82K71-D75 IonicContact NZ-OD1 3.8Å; K71-D75 PolarHBondContact NZ-OD1 2.81Å; K71-D75 IonicContact NZ-OD2 2.66Å; K71-D75 PolarHBondContact NZ-OD2 2.98Å; K71-D75 PolarHBondContact O-N 3.32Å; M72-D75 PolarHBondContact O-N 2.98Å; R73-D75 VanDerWaalsContact C-N 3.32Å; R73-D75 PolarHBondContact O-N 2.86Å; D75-G79 PolarHBondContact O-N 3.47Å; D75-R80 HydrophobicContact CB-CB 3.98Å; D75-R80 HydrophobicContact CB-CG 3.89Å; D75-R80 WeakPolarHBondContact O-CB 3.47Å; D75-R80 VanDerWaalsContact O-CG 3.31Å; D75-R80 WeakPolarHBondContact O-CG 3.48Å; D75-R80 PolarHBondContact O-N 3.32Å; D75-I82 HydrophobicContact CB-CG2 3.8Å
76M98.5Very high98.1Very high0 Ų049.7 Ų49.70%024%0.238CC..Hα-helixtrans-60.1-47.3173-172.6176.866.700110.7M72 R73 D74 E78 G79 I82 V90 L91 I93 F298 F490 F501M72-M76 PolarHBondContact O-N 3.11Å; R73-M76 WeakPolarHBondContact O-CB 3.39Å; R73-M76 PolarHBondContact O-N 3.27Å; D74-M76 VanDerWaalsContact C-N 3.35Å; D74-M76 PolarHBondContact O-N 2.91Å; M76-E78 VanDerWaalsContact C-N 3.29Å; M76-E78 PolarHBondContact O-N 3.45Å; M76-G79 PolarHBondContact O-N 2.9Å; M76-I82 HydrophobicContact CB-CD1 3.67Å; M76-I82 HydrophobicContact CG-CD1 3.84Å; M76-I82 HydrophobicContact SD-CD1 4.4Å; M76-V90 WeakPolarHBondContact CG-O 3.23Å; M76-V90 HydrophobicContact SD-CG1 4.48Å; M76-L91 VanDerWaalsContact O-CD2 3.29Å; M76-L91 WeakPolarHBondContact O-CD2 3.48Å; M76-I93 HydrophobicContact CE-CG2 4.46Å; M76-F298 HydrophobicContact CE-CE1 4.2Å; M76-F490 HydrophobicContact CB-CE2 4.46Å; M76-F490 HydrophobicContact SD-CD2 4Å; M76-F490 HydrophobicContact SD-CE2 4.08Å; M76-F490 HydrophobicContact SD-CG 4.43Å; M76-F501 HydrophobicContact SD-CZ 4.34Å
77M97.2Very high98Very high18 Ų1850.9 Ų50.99%0.08925%0.245CC..Hα-helixtrans-69.1-26.1-175.3-70.4177.3176.400114R73 D74 I93 F298 K299R73-M77 HydrophobicContact CG-CE 3.6Å; R73-M77 HydrophobicContact CG-CG 4.47Å; R73-M77 HydrophobicContact CG-SD 3.82Å; R73-M77 WeakPolarHBondContact O-CG 3.49Å; R73-M77 PolarHBondContact O-N 2.88Å; D74-M77 PolarHBondContact O-N 2.84Å; D74-M77 VanDerWaalsContact O-N 3.09Å; M77-I93 HydrophobicContact CB-CD1 4Å; M77-I93 HydrophobicContact CG-CD1 3.66Å; M77-F298 HydrophobicContact CE-CD1 3.72Å; M77-F298 HydrophobicContact CE-CE1 4.34Å; M77-K299 HydrophobicContact CE-CB 3.64Å; M77-K299 HydrophobicContact CE-CG 4.2Å; M77-K299 HydrophobicContact SD-CB 3.58Å; M77-K299 VanDerWaalsContact SD-CB 3.58Å; M77-K299 HydrophobicContact SD-CD 3.47Å; M77-K299 WeakPolarHBondContact SD-CD 3.39Å; M77-K299 HydrophobicContact SD-CG 3.43Å; M77-K299 WeakPolarHBondContact SD-CG 3.47Å
78E97Very high98Very high100 Ų10053.4 Ų53.447%0.46725%0.252SS..THydrogen-bonded Turntrans-85.7-3.9175.6-72.8-179.7-172.100113.8D74 M76 R80D74-E78 WeakPolarHBondContact O-CB 3.46Å; D74-E78 WeakPolarHBondContact O-CG 3.33Å; D74-E78 PolarHBondContact O-N 3.25Å; M76-E78 VanDerWaalsContact C-N 3.29Å; M76-E78 PolarHBondContact O-N 3.45Å; E78-R80 HydrophobicContact CB-CG 4.34Å; E78-R80 IonicContact OE2-CZ 2.9Å; E78-R80 IonicContact OE2-NE 2.71Å; E78-R80 PolarHBondContact OE2-NE 2.92Å; E78-R80 IonicContact OE2-NH2 2.72Å; E78-R80 PolarHBondContact OE2-NH2 2.99Å; E78-R80 VanDerWaalsContact OE2-NH2 3.16Å
79G97.7Very high98Very high7 Ų748.8 Ų48.87%0.07223%0.227CC..THydrogen-bonded Turntrans79.121.7-177.600000114.4D75 M76 A89D75-G79 PolarHBondContact O-N 3.47Å; M76-G79 PolarHBondContact O-N 2.9Å; G79-A89 WeakPolarHBondContact O-CB 3.42Å
80R97.6Very high98Very high143 Ų14349 Ų4954%0.5423%0.229SC..  trans-64151.6172.1-55.5-63.5-179.6174.3-2.1110.3D75 E78 I82D75-R80 HydrophobicContact CB-CB 3.98Å; D75-R80 HydrophobicContact CB-CG 3.89Å; D75-R80 WeakPolarHBondContact O-CB 3.47Å; D75-R80 VanDerWaalsContact O-CG 3.31Å; D75-R80 WeakPolarHBondContact O-CG 3.48Å; D75-R80 PolarHBondContact O-N 3.32Å; E78-R80 HydrophobicContact CB-CG 4.34Å; E78-R80 IonicContact OE2-CZ 2.9Å; E78-R80 IonicContact OE2-NE 2.71Å; E78-R80 PolarHBondContact OE2-NE 2.92Å; E78-R80 IonicContact OE2-NH2 2.72Å; E78-R80 PolarHBondContact OE2-NH2 2.99Å; E78-R80 VanDerWaalsContact OE2-NH2 3.16Å; R80-I82 HydrophobicContact CB-CG2 4.15Å; R80-I82 PolarHBondContact O-N 3.41Å
81K97.9Very high98Very high76 Ų7645.3 Ų45.333%0.3321%0.212SC..  trans-76.164.2-179.6-64.5-175.8167.5-172.10112.7N83 D87 R88 D106K81-N83 VanDerWaalsContact C-N 3.28Å; K81-N83 PolarHBondContact O-N 3.07Å; K81-D87 WeakPolarHBondContact CD-O 3.48Å; K81-D87 WeakPolarHBondContact CD-OD1 3.4Å; K81-D87 WeakPolarHBondContact CE-O 3.48Å; K81-D87 PolarHBondContact NZ-O 2.89Å; K81-D87 IonicContact NZ-OD1 2.71Å; K81-D87 IonicContact NZ-OD2 3.88Å; K81-D87 PolarHBondContact NZ-OD2 3.04Å; K81-R88 CarbonylContact C-O 3.56Å; K81-R88 VanDerWaalsContact C-O 3.28Å; K81-R88 WeakPolarHBondContact CA-O 3.29Å; K81-D106 WeakPolarHBondContact CE-OD1 3.42Å; K81-D106 IonicContact NZ-OD1 3.64Å
82I98.3Very high98Very high9 Ų940 Ų405%0.04619%0.189CC..  trans-76.3-14.4-176.268164.7000113.7M72 D75 M76 R80 F84 R88 V90 R357 F490 F501M72-I82 HydrophobicContact CE-CB 4.1Å; M72-I82 HydrophobicContact CE-CG2 4.01Å; D75-I82 HydrophobicContact CB-CG2 3.8Å; M76-I82 HydrophobicContact CB-CD1 3.67Å; M76-I82 HydrophobicContact CG-CD1 3.84Å; M76-I82 HydrophobicContact SD-CD1 4.4Å; R80-I82 HydrophobicContact CB-CG2 4.15Å; R80-I82 PolarHBondContact O-N 3.41Å; I82-F84 VanDerWaalsContact C-N 3.28Å; I82-F84 WeakPolarHBondContact O-CD1 3.17Å; I82-F84 PolarHBondContact O-N 3.46Å; I82-R88 PolarHBondContact N-O 2.98Å; I82-V90 HydrophobicContact CD1-CB 4.1Å; I82-V90 HydrophobicContact CD1-CG2 4.26Å; I82-V90 HydrophobicContact CG1-CB 3.87Å; I82-V90 HydrophobicContact CG1-CG2 3.64Å; I82-R357 PolarHBondContact O-NH1 3.34Å; I82-F490 HydrophobicContact CD1-CE2 3.95Å; I82-F501 HydrophobicContact CD1-CD2 4.24Å; I82-F501 HydrophobicContact CD1-CE2 3.64Å; I82-F501 HydrophobicContact CD1-CZ 4.4Å; I82-F501 HydrophobicContact CG1-CD2 4.4Å; I82-F501 HydrophobicContact CG1-CE2 4.29Å
83N98.5Very high98.1Very high6 Ų639.3 Ų39.33%0.03219%0.185CC..BIsolated β-bridgetrans-82.580.2164.4179.85.8000108.2K81 T85 E86 D87 R88 V90 N499 F501K81-N83 VanDerWaalsContact C-N 3.28Å; K81-N83 PolarHBondContact O-N 3.07Å; N83-T85 PolarHBondContact O-N 3.07Å; N83-E86 PolarHBondContact ND2-OE2 3.13Å; N83-E86 PolarHBondContact O-N 2.98Å; N83-D87 PolarHBondContact O-N 3.2Å; N83-D87 VanDerWaalsContact O-N 3.09Å; N83-R88 HydrophobicContact CB-CB 4.2Å; N83-R88 WeakPolarHBondContact CB-O 3.33Å; N83-R88 PolarHBondContact N-O 3.09Å; N83-R88 VanDerWaalsContact N-O 3.15Å; N83-R88 PolarHBondContact O-N 2.91Å; N83-V90 HydrophobicContact CB-CG2 3.66Å; N83-N499 PolarHBondContact OD1-ND2 3.33Å; N83-F501 HydrophobicContact CB-CB 3.91Å; N83-F501 PolarHBondContact ND2-O 3.33Å
84F97.5Very high98Very high68 Ų6838.4 Ų38.430%0.29818%0.182SC..THydrogen-bonded Turntrans-75.5-20.2-166.358.9-85.6000114.2I82 R357 N499I82-F84 VanDerWaalsContact C-N 3.28Å; I82-F84 WeakPolarHBondContact O-CD1 3.17Å; I82-F84 PolarHBondContact O-N 3.46Å; F84-R357 HydrophobicContact CD1-CG 3.83Å; F84-R357 HydrophobicContact CD2-CG 4.2Å; F84-R357 HydrophobicContact CE1-CB 4.09Å; F84-R357 HydrophobicContact CE1-CG 3.61Å; F84-R357 VanDerWaalsContact CE1-CZ 3.44Å; F84-R357 HydrophobicContact CE2-CB 4.33Å; F84-R357 HydrophobicContact CE2-CG 4.02Å; F84-R357 HydrophobicContact CG-CG 4.11Å; F84-R357 HydrophobicContact CZ-CB 3.85Å; F84-R357 HydrophobicContact CZ-CG 3.71Å; F84-N499 HydrophobicContact CD1-CB 4.28Å; F84-N499 HydrophobicContact CE1-CB 3.43Å; F84-N499 VanDerWaalsContact CE1-CB 3.43Å; F84-N499 HydrophobicContact CZ-CB 3.64Å
85T98.2Very high98.1Very high56 Ų5636 Ų3634%0.34417%0.169SC..THydrogen-bonded Turntrans-81.9-20.6178.162.70000112.5N83 N499 D502 W504N83-T85 PolarHBondContact O-N 3.07Å; T85-N499 PolarHBondContact OG1-ND2 3.29Å; T85-D502 WeakPolarHBondContact CB-OD2 3.28Å; T85-D502 VanDerWaalsContact CG2-OD2 3.31Å; T85-D502 WeakPolarHBondContact CG2-OD2 3.29Å; T85-D502 WeakPolarHBondContact OG1-CB 3.4Å; T85-D502 PolarHBondContact OG1-OD2 3.07Å; T85-W504 PolarHBondContact OG1-NE1 3.09Å; T85-W504 VanDerWaalsContact OG1-NE1 3.11Å
86E97.2Very high98.1Very high46 Ų4634.7 Ų34.722%0.21516%0.162CC..THydrogen-bonded Turntrans-111.51.1177-61.3-171.7110.400113.2N83 R88 D502 W504N83-E86 PolarHBondContact ND2-OE2 3.13Å; N83-E86 PolarHBondContact O-N 2.98Å; E86-R88 HydrophobicContact CB-CG 4.2Å; E86-R88 PolarHBondContact O-N 3.28Å; E86-R88 IonicContact OE1-CZ 3.2Å; E86-R88 IonicContact OE1-NH1 2.66Å; E86-R88 PolarHBondContact OE1-NH1 3.4Å; E86-R88 IonicContact OE1-NH2 2.86Å; E86-R88 IonicContact OE2-CZ 3.81Å; E86-R88 IonicContact OE2-NH1 2.7Å; E86-R88 PolarHBondContact OE2-NH1 3.31Å; E86-D502 HydrophobicContact CG-CB 4.46Å; E86-W504 HydrophobicContact CG-CZ2 3.88Å
87D97.2Very high98.1Very high101 Ų10135.3 Ų35.354%0.5417%0.165SC..THydrogen-bonded Turntrans51.748.4-173.6-168.349.4000113.3K81 N83K81-D87 WeakPolarHBondContact CD-O 3.48Å; K81-D87 WeakPolarHBondContact CD-OD1 3.4Å; K81-D87 WeakPolarHBondContact CE-O 3.48Å; K81-D87 PolarHBondContact NZ-O 2.89Å; K81-D87 IonicContact NZ-OD1 2.71Å; K81-D87 IonicContact NZ-OD2 3.88Å; K81-D87 PolarHBondContact NZ-OD2 3.04Å; N83-D87 PolarHBondContact O-N 3.2Å; N83-D87 VanDerWaalsContact O-N 3.09Å
88R97.7Very high98.1Very high70 Ų7038 Ų3826%0.26418%0.175SC..BIsolated β-bridgetrans-123.2145.7-176.1-72175.8-173.7149.28.6113.5K81 I82 N83 E86 D259K81-R88 CarbonylContact C-O 3.56Å; K81-R88 VanDerWaalsContact C-O 3.28Å; K81-R88 WeakPolarHBondContact CA-O 3.29Å; I82-R88 PolarHBondContact N-O 2.98Å; N83-R88 HydrophobicContact CB-CB 4.2Å; N83-R88 WeakPolarHBondContact CB-O 3.33Å; N83-R88 PolarHBondContact N-O 3.09Å; N83-R88 VanDerWaalsContact N-O 3.15Å; N83-R88 PolarHBondContact O-N 2.91Å; E86-R88 HydrophobicContact CB-CG 4.2Å; E86-R88 PolarHBondContact O-N 3.28Å; E86-R88 IonicContact OE1-CZ 3.2Å; E86-R88 IonicContact OE1-NH1 2.66Å; E86-R88 PolarHBondContact OE1-NH1 3.4Å; E86-R88 IonicContact OE1-NH2 2.86Å; E86-R88 IonicContact OE2-CZ 3.81Å; E86-R88 IonicContact OE2-NH1 2.7Å; E86-R88 PolarHBondContact OE2-NH1 3.31Å; R88-D259 IonicContact NE-OD2 3.69Å
89A98.3Very high98.2Very high4 Ų436.4 Ų36.43%0.03317%0.174CC..  trans-65.9163.5162.300000110.6G79 L91 V105 W260G79-A89 WeakPolarHBondContact O-CB 3.42Å; A89-L91 HydrophobicContact CB-CD1 4.16Å; A89-L91 HydrophobicContact CB-CG 4.27Å; A89-V105 HydrophobicContact CB-CG1 4.41Å; A89-V105 HydrophobicContact CB-CG2 4.01Å; A89-W260 HydrophobicContact CB-CB 3.94Å; A89-W260 VanDerWaalsContact O-CA 3.27Å; A89-W260 WeakPolarHBondContact O-CA 3.37Å; A89-W260 WeakPolarHBondContact O-CB 3.17Å
90V98.6Very high98.2Very high7 Ų739.7 Ų39.74%0.04219%0.19CC..  trans-132.5101.6177.9178.50000108.4M76 I82 N83 F501M76-V90 WeakPolarHBondContact CG-O 3.23Å; M76-V90 HydrophobicContact SD-CG1 4.48Å; I82-V90 HydrophobicContact CD1-CB 4.1Å; I82-V90 HydrophobicContact CD1-CG2 4.26Å; I82-V90 HydrophobicContact CG1-CB 3.87Å; I82-V90 HydrophobicContact CG1-CG2 3.64Å; N83-V90 HydrophobicContact CB-CG2 3.66Å; V90-F501 HydrophobicContact CB-CD1 4.46Å; V90-F501 HydrophobicContact CB-CD2 4.34Å; V90-F501 HydrophobicContact CB-CE2 4.44Å; V90-F501 HydrophobicContact CB-CG 4.32Å; V90-F501 HydrophobicContact CG1-CD1 3.47Å; V90-F501 VanDerWaalsContact CG1-CD1 3.47Å; V90-F501 HydrophobicContact CG1-CD2 4.06Å; V90-F501 HydrophobicContact CG1-CE1 3.42Å; V90-F501 VanDerWaalsContact CG1-CE1 3.42Å; V90-F501 HydrophobicContact CG1-CE2 3.99Å; V90-F501 HydrophobicContact CG1-CG 3.78Å; V90-F501 HydrophobicContact CG1-CZ 3.65Å; V90-F501 HydrophobicContact CG2-CB 3.83Å; V90-F501 HydrophobicContact CG2-CD1 4.17Å; V90-F501 HydrophobicContact CG2-CD2 3.65Å; V90-F501 HydrophobicContact CG2-CE2 4.21Å; V90-F501 HydrophobicContact CG2-CG 3.59Å
91L98.5Very high98.2Very high0 Ų037.2 Ų37.20%019%0.191CC..  trans-136.336.5-161.4-77.3-179.1000114.2M76 A89 I93 A94 I103 V105 W260M76-L91 VanDerWaalsContact O-CD2 3.29Å; M76-L91 WeakPolarHBondContact O-CD2 3.48Å; A89-L91 HydrophobicContact CB-CD1 4.16Å; A89-L91 HydrophobicContact CB-CG 4.27Å; L91-I93 HydrophobicContact CD2-CD1 4.42Å; L91-I93 HydrophobicContact CD2-CG1 4.19Å; L91-I93 PolarHBondContact O-N 2.99Å; L91-I93 VanDerWaalsContact O-N 3.12Å; L91-A94 HydrophobicContact CB-CB 4.07Å; L91-A94 VanDerWaalsContact O-CB 3.31Å; L91-A94 WeakPolarHBondContact O-CB 3.2Å; L91-A94 PolarHBondContact O-N 3.29Å; L91-I103 HydrophobicContact CD1-CG2 3.83Å; L91-I103 HydrophobicContact CD2-CG2 3.63Å; L91-I103 HydrophobicContact CG-CG2 4.39Å; L91-V105 HydrophobicContact CD1-CG2 3.26Å; L91-W260 HydrophobicContact CB-CB 4.41Å; L91-W260 HydrophobicContact CB-CD2 3.74Å; L91-W260 HydrophobicContact CB-CE3 3.34Å; L91-W260 HydrophobicContact CB-CG 4.23Å; L91-W260 HydrophobicContact CB-CZ3 3.78Å; L91-W260 HydrophobicContact CD1-CD2 4.42Å; L91-W260 PolarHBondContact N-O 2.77Å; L91-W260 WeakPolarHBondContact O-CZ3 3.33Å
92H98.7Very high98.2Very high3 Ų337.6 Ų37.61%0.01420%0.201CC..Hα-helixtrans-56.8-26.9170.349.3-87.2000112.6A94 L95 Y265 E486H92-A94 VanDerWaalsContact C-N 3.3Å; H92-A94 PolarHBondContact O-N 2.9Å; H92-L95 HydrophobicContact CB-CD1 4.5Å; H92-L95 WeakPolarHBondContact O-CB 3.43Å; H92-L95 PolarHBondContact O-N 3.41Å; H92-Y265 AromaticContact ND1-CG 3.95Å; H92-E486 IonicContact CD2-OE2 2.85Å
93I98.7Very high98.2Very high12 Ų1237.9 Ų37.96%0.06220%0.202CC..Hα-helixtrans-63.8-28.417164.3160.4000113.8M76 M77 L91 L95 R96 N97M76-I93 HydrophobicContact CE-CG2 4.46Å; M77-I93 HydrophobicContact CB-CD1 4Å; M77-I93 HydrophobicContact CG-CD1 3.66Å; L91-I93 HydrophobicContact CD2-CD1 4.42Å; L91-I93 HydrophobicContact CD2-CG1 4.19Å; L91-I93 PolarHBondContact O-N 2.99Å; L91-I93 VanDerWaalsContact O-N 3.12Å; I93-L95 VanDerWaalsContact C-N 3.31Å; I93-L95 PolarHBondContact O-N 3.49Å; I93-R96 CarbonylContact O-C 3.52Å; I93-R96 PolarHBondContact O-N 3.38Å; I93-N97 WeakPolarHBondContact O-CB 3.35Å; I93-N97 PolarHBondContact O-N 3.36Å
94A98.7Very high98.2Very high0 Ų041.6 Ų41.60%022%0.221CC..Hα-helixtrans-70.2-34.2-179.800000110.5L91 H92 R96 N97 I103 V110 M111 W260L91-A94 HydrophobicContact CB-CB 4.07Å; L91-A94 VanDerWaalsContact O-CB 3.31Å; L91-A94 WeakPolarHBondContact O-CB 3.2Å; L91-A94 PolarHBondContact O-N 3.29Å; H92-A94 VanDerWaalsContact C-N 3.3Å; H92-A94 PolarHBondContact O-N 2.9Å; A94-R96 PolarHBondContact O-N 2.89Å; A94-N97 PolarHBondContact O-N 3.23Å; A94-N97 VanDerWaalsContact O-N 3.16Å; A94-I103 HydrophobicContact CB-CD1 3.9Å; A94-V110 HydrophobicContact CB-CG2 3.84Å; A94-M111 HydrophobicContact CB-SD 4.25Å; A94-W260 HydrophobicContact CB-CH2 4.16Å; A94-W260 HydrophobicContact CB-CZ3 4.34Å
95L98.8Very high98.2Very high3 Ų339.4 Ų39.42%0.01621%0.212CC..Hα-helixtrans-59.8-27.2177.2-55.1174.1000113H92 I93 V114 W258 W260 V261 W268H92-L95 HydrophobicContact CB-CD1 4.5Å; H92-L95 WeakPolarHBondContact O-CB 3.43Å; H92-L95 PolarHBondContact O-N 3.41Å; I93-L95 VanDerWaalsContact C-N 3.31Å; I93-L95 PolarHBondContact O-N 3.49Å; L95-V114 HydrophobicContact CD2-CG2 4.34Å; L95-W258 HydrophobicContact CD2-CE3 3.99Å; L95-W258 HydrophobicContact CD2-CZ3 3.6Å; L95-W260 HydrophobicContact CD1-CZ3 4.49Å; L95-W260 HydrophobicContact CD2-CH2 3.62Å; L95-W260 HydrophobicContact CD2-CZ3 3.62Å; L95-W260 HydrophobicContact CG-CH2 4.26Å; L95-W260 HydrophobicContact CG-CZ3 3.85Å; L95-V261 HydrophobicContact CD1-CG1 3.97Å; L95-V261 HydrophobicContact CD1-CG2 3.99Å; L95-V261 HydrophobicContact CD2-CG2 4.07Å; L95-V261 HydrophobicContact CG-CG2 4.43Å; L95-W268 HydrophobicContact CB-CB 3.74Å; L95-W268 HydrophobicContact CD1-CB 3.86Å; L95-W268 HydrophobicContact CG-CB 4.47Å
96R98.8Very high98Very high0 Ų043 Ų430%023%0.23CC..THydrogen-bonded Turntrans-117.112.9-179.470.6-149-167.8-176.1-13.6112.8I93 A94 R98 L288 A291 H292 D295 E486I93-R96 CarbonylContact O-C 3.52Å; I93-R96 PolarHBondContact O-N 3.38Å; A94-R96 PolarHBondContact O-N 2.89Å; R96-R98 WeakPolarHBondContact O-CG 3.37Å; R96-R98 PolarHBondContact O-N 3.41Å; R96-L288 HydrophobicContact CB-CB 3.95Å; R96-L288 HydrophobicContact CB-CD2 3.78Å; R96-L288 HydrophobicContact CB-CG 4.45Å; R96-A291 VanDerWaalsContact CD-CB 3.47Å; R96-A291 HydrophobicContact CG-CB 4.22Å; R96-H292 WeakPolarHBondContact O-CB 3.32Å; R96-H292 VanDerWaalsContact O-CG 3.3Å; R96-H292 PolarHBondContact O-ND1 3.03Å; R96-D295 WeakPolarHBondContact CG-OD2 3.38Å; R96-D295 IonicContact CZ-OD1 3.7Å; R96-D295 IonicContact CZ-OD2 2.84Å; R96-D295 IonicContact NE-OD1 2.79Å; R96-D295 PolarHBondContact NE-OD1 2.71Å; R96-D295 IonicContact NE-OD2 2.77Å; R96-D295 PolarHBondContact NE-OD2 3.21Å; R96-D295 IonicContact NH2-OD1 3.3Å; R96-D295 PolarHBondContact NH2-OD1 3.41Å; R96-D295 IonicContact NH2-OD2 3.16Å; R96-E486 IonicContact CZ-OE2 2.82Å; R96-E486 IonicContact NH1-OE1 2.57Å; R96-E486 IonicContact NH1-OE2 3.28Å; R96-E486 PolarHBondContact NH1-OE2 3.35Å; R96-E486 IonicContact NH2-OE2 2.68Å; R96-E486 PolarHBondContact NH2-OE2 2.87Å
97N98.7Very high97.9Very high12 Ų1244 Ų446%0.06425%0.253CS..  trans-72.392.9179175.223.3000111.1I93 A94 S99 N100 V101 I103 M111 H292I93-N97 WeakPolarHBondContact O-CB 3.35Å; I93-N97 PolarHBondContact O-N 3.36Å; A94-N97 PolarHBondContact O-N 3.23Å; A94-N97 VanDerWaalsContact O-N 3.16Å; N97-S99 VanDerWaalsContact C-N 3.33Å; N97-S99 PolarHBondContact OD1-N 2.83Å; N97-S99 PolarHBondContact OD1-OG 3.28Å; N97-N100 PolarHBondContact O-N 3.2Å; N97-V101 PolarHBondContact ND2-O 3.06Å; N97-I103 HydrophobicContact CB-CD1 4.38Å; N97-M111 HydrophobicContact CB-CE 3.68Å; N97-M111 HydrophobicContact CB-SD 3.81Å; N97-M111 PolarHBondContact ND2-SD 3.13Å; N97-M111 VanDerWaalsContact O-CE 3.29Å; N97-M111 WeakPolarHBondContact O-CE 3.2Å; N97-H292 PolarHBondContact OD1-CE1 2.61Å; N97-H292 VanDerWaalsContact OD1-CE1 3.26Å
98R98.4Very high98Very high76 Ų7646.9 Ų46.929%0.28726%0.26SS..THydrogen-bonded Turntrans-78-19.4-177-49.5-53.3-62.9159.52.7113.2R96 N100 E289 H292R96-R98 WeakPolarHBondContact O-CG 3.37Å; R96-R98 PolarHBondContact O-N 3.41Å; R98-N100 PolarHBondContact O-N 3.02Å; R98-E289 HydrophobicContact CG-CB 4.46Å; R98-E289 HydrophobicContact CG-CG 3.81Å; R98-H292 HydrophobicContact CG-CB 3.94Å; R98-H292 PolarHBondContact N-NE2 3.05Å
99S97.8Very high98Very high66 Ų6645.6 Ų45.646%0.46226%0.258SS..THydrogen-bonded Turntrans-69.7-18.8174.876.40000113.5N97 V101 H292N97-S99 VanDerWaalsContact C-N 3.33Å; N97-S99 PolarHBondContact OD1-N 2.83Å; N97-S99 PolarHBondContact OD1-OG 3.28Å; S99-V101 PolarHBondContact O-N 3.23Å; S99-V101 WeakPolarHBondContact OG-CG2 3.28Å; S99-V101 PolarHBondContact OG-N 3.06Å; S99-H292 PolarHBondContact N-NE2 3.19Å
100N98.3Very high98Very high76 Ų7646.2 Ų46.241%0.40626%0.262SS..  trans53.320.1-173-71.1-56.3000114.4N97 R98 M111 N115N97-N100 PolarHBondContact O-N 3.2Å; R98-N100 PolarHBondContact O-N 3.02Å; N100-M111 WeakPolarHBondContact OD1-CE 3.43Å; N100-N115 PolarHBondContact OD1-ND2 2.97Å
101V97.7Very high98Very high91 Ų9146 Ų4655%0.55226%0.26SS*.  trans-59.3129.3167.5174.10000107.7N97 S99N97-V101 PolarHBondContact ND2-O 3.06Å; S99-V101 PolarHBondContact O-N 3.23Å; S99-V101 WeakPolarHBondContact OG-CG2 3.28Å; S99-V101 PolarHBondContact OG-N 3.06Å
102P98.3Very high98Very high83 Ų8349.8 Ų49.854%0.53929%0.285SS..  trans-55.2139.1-176.9-29.336.3000112.9M104 D109P102-M104 HydrophobicContact CB-SD 4.33Å; P102-D109 WeakPolarHBondContact CA-OD1 3.41Å; P102-D109 HydrophobicContact CB-CB 4.33Å
103I98.3Very high98Very high15 Ų1551 Ų518%0.07730%0.298CS..  trans-126.2120172.7-58.5177000107.6L91 A94 N97 D109 V110 M111L91-I103 HydrophobicContact CD1-CG2 3.83Å; L91-I103 HydrophobicContact CD2-CG2 3.63Å; L91-I103 HydrophobicContact CG-CG2 4.39Å; A94-I103 HydrophobicContact CB-CD1 3.9Å; N97-I103 HydrophobicContact CB-CD1 4.38Å; I103-D109 PolarHBondContact N-OD1 2.82Å; I103-D109 WeakPolarHBondContact O-CA 3.5Å; I103-V110 HydrophobicContact CB-CG2 4.17Å; I103-V110 PolarHBondContact O-N 2.98Å; I103-M111 HydrophobicContact CD1-SD 4.44Å
104M97.9Very high98Very high85 Ų8550.6 Ų50.642%0.41930%0.296SS..EExtended strand (participates in β ladder)trans-96.3130-167.7-54-56.9-71.100111.1P102 G107 K108 D109P102-M104 HydrophobicContact CB-SD 4.33Å; M104-G107 WeakPolarHBondContact CE-O 3.39Å; M104-K108 WeakPolarHBondContact CA-O 3.29Å; M104-D109 HydrophobicContact SD-CB 3.81Å
105V97.2Very high98Very high21 Ų2153.1 Ų53.113%0.12731%0.31CS..EExtended strand (participates in β ladder)trans-123124.6164.6179.30000107.5A89 L91 G107 K108 V110A89-V105 HydrophobicContact CB-CG1 4.41Å; A89-V105 HydrophobicContact CB-CG2 4.01Å; L91-V105 HydrophobicContact CD1-CG2 3.26Å; V105-G107 PolarHBondContact O-N 2.76Å; V105-G107 VanDerWaalsContact O-N 3.1Å; V105-K108 PolarHBondContact N-O 3.02Å; V105-K108 PolarHBondContact O-N 2.88Å; V105-V110 HydrophobicContact CB-CG1 3.95Å; V105-V110 HydrophobicContact CG2-CG1 3.65Å
106D95.1Very high97.9Very high133 Ų13355.9 Ų55.971%0.71133%0.333SS*.THydrogen-bonded Turntrans48.440.8-179.3-58.6-38.3000113.3K81 K108K81-D106 WeakPolarHBondContact CE-OD1 3.42Å; K81-D106 IonicContact NZ-OD1 3.64Å; D106-K108 VanDerWaalsContact C-N 3.33Å; D106-K108 PolarHBondContact O-N 2.87Å
107G95.4Very high97.9Very high67 Ų6756.7 Ų56.769%0.69134%0.338SS*.THydrogen-bonded Turntrans79.55.7178.400000115.5M104 V105M104-G107 WeakPolarHBondContact CE-O 3.39Å; V105-G107 PolarHBondContact O-N 2.76Å; V105-G107 VanDerWaalsContact O-N 3.1Å
108K97.7Very high97.9Very high161 Ų16156.8 Ų56.870%0.734%0.338SS*.EExtended strand (participates in β ladder)trans-117.8132.8178.2-174.6175.7175.5-177.50111.6M104 V105 D106 V110M104-K108 WeakPolarHBondContact CA-O 3.29Å; V105-K108 PolarHBondContact N-O 3.02Å; V105-K108 PolarHBondContact O-N 2.88Å; D106-K108 VanDerWaalsContact C-N 3.33Å; D106-K108 PolarHBondContact O-N 2.87Å; K108-V110 PolarHBondContact O-N 3.14Å
109D98.4Very high97.9Very high42 Ų4258.1 Ų58.123%0.22535%0.348CS..EExtended strand (participates in β ladder)trans-67.9128.6171.9-177.714.8000110.3P102 I103 M104 M111 P112P102-D109 WeakPolarHBondContact CA-OD1 3.41Å; P102-D109 HydrophobicContact CB-CB 4.33Å; I103-D109 PolarHBondContact N-OD1 2.82Å; I103-D109 WeakPolarHBondContact O-CA 3.5Å; M104-D109 HydrophobicContact SD-CB 3.81Å; D109-M111 WeakPolarHBondContact OD1-CB 3.03Å; D109-M111 WeakPolarHBondContact OD1-CG 3.4Å; D109-M111 PolarHBondContact OD1-N 3.11Å; D109-P112 WeakPolarHBondContact OD2-CD 3.35Å
110V98.4Very high98Very high17 Ų1757.9 Ų57.910%0.10334%0.339CS..SBendtrans-85.1-19.9-179.7-56.30000113A94 I103 V105 K108 G113 V114 W260A94-V110 HydrophobicContact CB-CG2 3.84Å; I103-V110 HydrophobicContact CB-CG2 4.17Å; I103-V110 PolarHBondContact O-N 2.98Å; V105-V110 HydrophobicContact CB-CG1 3.95Å; V105-V110 HydrophobicContact CG2-CG1 3.65Å; K108-V110 PolarHBondContact O-N 3.14Å; V110-G113 PolarHBondContact O-N 3.24Å; V110-V114 PolarHBondContact O-N 3.43Å; V110-V114 VanDerWaalsContact O-N 3.09Å; V110-W260 HydrophobicContact CB-CZ2 4.01Å; V110-W260 HydrophobicContact CG1-CZ2 4.26Å; V110-W260 HydrophobicContact CG2-CZ2 4.22Å
111M98.7Very high98Very high3 Ų354.2 Ų54.22%0.01532%0.32CS..Hα-helixtrans-59.5-39.4-172.7-65.9-51-54.300114.4A94 N97 N100 I103 D109 G113 V114 N115A94-M111 HydrophobicContact CB-SD 4.25Å; N97-M111 HydrophobicContact CB-CE 3.68Å; N97-M111 HydrophobicContact CB-SD 3.81Å; N97-M111 PolarHBondContact ND2-SD 3.13Å; N97-M111 VanDerWaalsContact O-CE 3.29Å; N97-M111 WeakPolarHBondContact O-CE 3.2Å; N100-M111 WeakPolarHBondContact OD1-CE 3.43Å; I103-M111 HydrophobicContact CD1-SD 4.44Å; D109-M111 WeakPolarHBondContact OD1-CB 3.03Å; D109-M111 WeakPolarHBondContact OD1-CG 3.4Å; D109-M111 PolarHBondContact OD1-N 3.11Å; M111-G113 VanDerWaalsContact C-N 3.28Å; M111-G113 PolarHBondContact O-N 3.21Å; M111-V114 HydrophobicContact CE-CB 4.48Å; M111-V114 HydrophobicContact CE-CG1 4.44Å; M111-V114 PolarHBondContact O-N 2.9Å; M111-N115 WeakPolarHBondContact O-CB 3.34Å; M111-N115 PolarHBondContact O-N 2.74Å; M111-N115 PolarHBondContact O-ND2 3.41Å
112P98.6Very high98Very high80 Ų8051.2 Ų51.252%0.51930%0.303SS..Hα-helixtrans-58.1-39.8173.9-26.936000113.1D109 A116D109-P112 WeakPolarHBondContact OD2-CD 3.35Å; P112-A116 WeakPolarHBondContact O-CB 3.23Å; P112-A116 PolarHBondContact O-N 2.79Å
113G98Very high98Very high28 Ų2853.9 Ų53.929%0.28931%0.306SS..Hα-helixtrans-67.4-45.2176.800000112.3V110 M111 N115 A116 V117 W258V110-G113 PolarHBondContact O-N 3.24Å; M111-G113 VanDerWaalsContact C-N 3.28Å; M111-G113 PolarHBondContact O-N 3.21Å; G113-N115 PolarHBondContact O-N 3.15Å; G113-A116 PolarHBondContact O-N 3.13Å; G113-V117 PolarHBondContact O-N 3.05Å; G113-V117 VanDerWaalsContact O-N 3.13Å; G113-W258 VanDerWaalsContact C-CZ2 3.46Å
114V98.5Very high98Very high3 Ų353.7 Ų53.72%0.01830%0.304CS..Hα-helixtrans-54-51.7174.1174.40000111.2L95 V110 M111 A116 V117 L118 W258 W260L95-V114 HydrophobicContact CD2-CG2 4.34Å; V110-V114 PolarHBondContact O-N 3.43Å; V110-V114 VanDerWaalsContact O-N 3.09Å; M111-V114 HydrophobicContact CE-CB 4.48Å; M111-V114 HydrophobicContact CE-CG1 4.44Å; M111-V114 PolarHBondContact O-N 2.9Å; V114-A116 PolarHBondContact O-N 2.81Å; V114-V117 PolarHBondContact O-N 3.46Å; V114-L118 HydrophobicContact CG1-CD1 4.14Å; V114-L118 WeakPolarHBondContact O-CG 3.43Å; V114-L118 PolarHBondContact O-N 3.26Å; V114-W258 VanDerWaalsContact CA-CH2 3.46Å; V114-W258 HydrophobicContact CB-CH2 4.25Å; V114-W258 HydrophobicContact CG2-CE3 4.5Å; V114-W258 HydrophobicContact CG2-CH2 3.82Å; V114-W258 HydrophobicContact CG2-CZ3 3.73Å; V114-W260 HydrophobicContact CG2-CH2 3.99Å; V114-W260 HydrophobicContact CG2-CZ2 4.46Å
115N98.7Very high98Very high54 Ų5449.6 Ų49.629%0.28929%0.285SS..Hα-helixtrans-68.5-34.9-177.7-70-36000112.8N100 M111 G113 V117 L118 Q119N100-N115 PolarHBondContact OD1-ND2 2.97Å; M111-N115 WeakPolarHBondContact O-CB 3.34Å; M111-N115 PolarHBondContact O-N 2.74Å; M111-N115 PolarHBondContact O-ND2 3.41Å; G113-N115 PolarHBondContact O-N 3.15Å; N115-V117 VanDerWaalsContact C-N 3.35Å; N115-V117 PolarHBondContact O-N 2.76Å; N115-L118 PolarHBondContact O-N 3.07Å; N115-Q119 WeakPolarHBondContact O-CB 3.49Å; N115-Q119 PolarHBondContact O-N 2.98Å
116A98.3Very high98Very high61 Ų6152.8 Ų52.850%0.50430%0.301SS..Hα-helixtrans-61.2-43.5175.200000111.6P112 G113 V114 Q119 H120P112-A116 WeakPolarHBondContact O-CB 3.23Å; P112-A116 PolarHBondContact O-N 2.79Å; G113-A116 PolarHBondContact O-N 3.13Å; V114-A116 PolarHBondContact O-N 2.81Å; A116-Q119 PolarHBondContact O-N 2.84Å; A116-H120 WeakPolarHBondContact O-CB 3.37Å; A116-H120 PolarHBondContact O-N 3.45Å
117V98.4Very high98.2Very high17 Ų1747.4 Ų47.410%0.10327%0.273CS..Hα-helixtrans-67.3-44.2176.1175.10000111.2G113 V114 N115 Q119 H120 M121 E256 W258 A270G113-V117 PolarHBondContact O-N 3.05Å; G113-V117 VanDerWaalsContact O-N 3.13Å; V114-V117 PolarHBondContact O-N 3.46Å; N115-V117 VanDerWaalsContact C-N 3.35Å; N115-V117 PolarHBondContact O-N 2.76Å; V117-Q119 VanDerWaalsContact C-N 3.29Å; V117-Q119 PolarHBondContact O-N 3.03Å; V117-H120 WeakPolarHBondContact O-CB 3.49Å; V117-H120 PolarHBondContact O-N 3.46Å; V117-H120 VanDerWaalsContact O-N 3.11Å; V117-M121 HydrophobicContact CG1-CG 4.35Å; V117-M121 HydrophobicContact CG1-SD 4.12Å; V117-M121 VanDerWaalsContact O-CG 3.31Å; V117-M121 WeakPolarHBondContact O-CG 3.08Å; V117-M121 PolarHBondContact O-N 3.1Å; V117-E256 WeakPolarHBondContact CG1-O 3.44Å; V117-E256 HydrophobicContact CG2-CB 4.34Å; V117-E256 WeakPolarHBondContact CG2-O 3.18Å; V117-W258 HydrophobicContact CB-CH2 4.5Å; V117-W258 HydrophobicContact CG2-CH2 4.06Å; V117-W258 HydrophobicContact CG2-CZ2 4.3Å; V117-A270 HydrophobicContact CG1-CB 4.09Å
118L98.6Very high98.3Very high14 Ų1444.2 Ų44.27%0.07324%0.24CC..Hα-helixtrans-59.6-40.1175.6-72.7174.6000112.1V114 N115 H120 M121 S122 M281 F284 L288V114-L118 HydrophobicContact CG1-CD1 4.14Å; V114-L118 WeakPolarHBondContact O-CG 3.43Å; V114-L118 PolarHBondContact O-N 3.26Å; N115-L118 PolarHBondContact O-N 3.07Å; L118-H120 VanDerWaalsContact C-N 3.34Å; L118-M121 HydrophobicContact CD2-SD 4.22Å; L118-M121 PolarHBondContact O-N 3.44Å; L118-S122 PolarHBondContact O-N 2.8Å; L118-M281 WeakPolarHBondContact O-CE 3.42Å; L118-F284 HydrophobicContact CD2-CE1 4.01Å; L118-L288 HydrophobicContact CD1-CD1 4.19Å; L118-L288 HydrophobicContact CD2-CD1 3.85Å
119Q98.5Very high98.3Very high103 Ų10339.6 Ų39.648%0.48122%0.219SC..Hα-helixtrans-66.9-37.3175.5-176.659.958.400111.9N115 A116 V117 S122 K123N115-Q119 WeakPolarHBondContact O-CB 3.49Å; N115-Q119 PolarHBondContact O-N 2.98Å; A116-Q119 PolarHBondContact O-N 2.84Å; V117-Q119 VanDerWaalsContact C-N 3.29Å; V117-Q119 PolarHBondContact O-N 3.03Å; Q119-S122 WeakPolarHBondContact O-CB 3.48Å; Q119-S122 PolarHBondContact O-N 2.98Å; Q119-K123 WeakPolarHBondContact O-CG 3.42Å; Q119-K123 PolarHBondContact O-N 3.07Å; Q119-K123 VanDerWaalsContact O-N 3.08Å
120H98.3Very high98.3Very high61 Ų6141.6 Ų41.628%0.28224%0.236SC..Hα-helixtrans-64.8-48174.8-174.5-161.9000111.1A116 V117 L118 S122 K123 F124 E252 F255A116-H120 WeakPolarHBondContact O-CB 3.37Å; A116-H120 PolarHBondContact O-N 3.45Å; V117-H120 WeakPolarHBondContact O-CB 3.49Å; V117-H120 PolarHBondContact O-N 3.46Å; V117-H120 VanDerWaalsContact O-N 3.11Å; L118-H120 VanDerWaalsContact C-N 3.34Å; H120-S122 PolarHBondContact O-N 2.66Å; H120-K123 PolarHBondContact O-N 2.77Å; H120-F124 PolarHBondContact O-N 2.81Å; H120-E252 PolarHBondContact CE1-O 3.04Å; H120-E252 PolarHBondContact NE2-O 3.11Å; H120-E252 VanDerWaalsContact NE2-O 3.07Å; H120-F255 HydrophobicContact CB-CE1 4.47Å; H120-F255 AromaticContact CD2-CE1 3.78Å; H120-F255 AromaticContact CE1-CD1 3.94Å; H120-F255 AromaticContact CE1-CE1 3.66Å; H120-F255 AromaticContact CE1-CZ 3.96Å; H120-F255 AromaticContact CG-CE1 3.75Å; H120-F255 AromaticContact ND1-CD1 3.66Å; H120-F255 AromaticContact ND1-CE1 3.68Å; H120-F255 AromaticContact NE2-CE1 3.73Å; H120-F255 AromaticContact NE2-CZ 3.91Å
121M98.7Very high98.2Very high0 Ų040.9 Ų40.90%023%0.232CC..Hα-helixtrans-55.3-40.2171.4-66.2169.56900110.9V117 L118 F124 C125 F255 L273 A276 M281 F284V117-M121 HydrophobicContact CG1-CG 4.35Å; V117-M121 HydrophobicContact CG1-SD 4.12Å; V117-M121 VanDerWaalsContact O-CG 3.31Å; V117-M121 WeakPolarHBondContact O-CG 3.08Å; V117-M121 PolarHBondContact O-N 3.1Å; L118-M121 HydrophobicContact CD2-SD 4.22Å; L118-M121 PolarHBondContact O-N 3.44Å; M121-F124 PolarHBondContact O-N 3.09Å; M121-C125 VanDerWaalsContact O-CB 3.25Å; M121-C125 WeakPolarHBondContact O-CB 3.27Å; M121-C125 PolarHBondContact O-N 3.45Å; M121-C125 PolarHBondContact O-SG 2.91Å; M121-F255 HydrophobicContact CG-CD1 3.81Å; M121-F255 HydrophobicContact CG-CE1 4.29Å; M121-L273 HydrophobicContact CB-CD1 4.14Å; M121-L273 HydrophobicContact CE-CB 4.3Å; M121-L273 HydrophobicContact CE-CD1 4.39Å; M121-L273 HydrophobicContact CG-CD1 4.11Å; M121-A276 HydrophobicContact CE-CB 4.49Å; M121-M281 HydrophobicContact CB-CE 4.27Å; M121-M281 HydrophobicContact CB-SD 4.07Å; M121-F284 HydrophobicContact CE-CD1 4.37Å; M121-F284 HydrophobicContact CE-CE1 3.71Å; M121-F284 HydrophobicContact CE-CZ 4.06Å
122S98.5Very high98.2Very high28 Ų2847.3 Ų47.320%0.19626%0.262CS..Hα-helixtrans-59.8-54.6179.1-160.70000112.6L118 Q119 H120 F124 C125 D126L118-S122 PolarHBondContact O-N 2.8Å; Q119-S122 WeakPolarHBondContact O-CB 3.48Å; Q119-S122 PolarHBondContact O-N 2.98Å; H120-S122 PolarHBondContact O-N 2.66Å; S122-F124 VanDerWaalsContact C-N 3.29Å; S122-F124 PolarHBondContact O-N 3.27Å; S122-C125 PolarHBondContact O-N 3.38Å; S122-D126 VanDerWaalsContact O-CG 3.28Å; S122-D126 PolarHBondContact O-N 3.45Å
123K98.4Very high98.1Very high138 Ų13845.8 Ų45.860%0.625%0.246SC*.Hα-helixtrans-59-43-179.8-68.6176.7-179-178.90111.4Q119 H120 D126 S127Q119-K123 WeakPolarHBondContact O-CG 3.42Å; Q119-K123 PolarHBondContact O-N 3.07Å; Q119-K123 VanDerWaalsContact O-N 3.08Å; H120-K123 PolarHBondContact O-N 2.77Å; K123-D126 PolarHBondContact O-N 3.26Å; K123-S127 WeakPolarHBondContact O-CB 3.36Å; K123-S127 PolarHBondContact O-N 3.4Å
124F98Very high98.1Very high11 Ų1148.9 Ų48.95%0.04825%0.251CS..Hα-helixtrans-65.5-47.2178.7-175-99000112.1H120 M121 S122 D126 S127 V128 W133 L196 V235 F255 L273 L277H120-F124 PolarHBondContact O-N 2.81Å; M121-F124 PolarHBondContact O-N 3.09Å; S122-F124 VanDerWaalsContact C-N 3.29Å; S122-F124 PolarHBondContact O-N 3.27Å; F124-D126 VanDerWaalsContact C-N 3.32Å; F124-D126 PolarHBondContact O-N 3.48Å; F124-S127 PolarHBondContact O-N 2.89Å; F124-V128 HydrophobicContact CD1-CG2 4.12Å; F124-V128 HydrophobicContact CD2-CG2 4.49Å; F124-V128 HydrophobicContact CE1-CG2 3.69Å; F124-V128 HydrophobicContact CE2-CG2 4.08Å; F124-V128 HydrophobicContact CZ-CG2 3.66Å; F124-V128 WeakPolarHBondContact O-CG2 3.25Å; F124-V128 PolarHBondContact O-N 3.25Å; F124-W133 HydrophobicContact CD2-CE3 4.27Å; F124-W133 HydrophobicContact CD2-CZ3 4.08Å; F124-W133 HydrophobicContact CE2-CD2 4.18Å; F124-W133 AromaticContact CE2-CE3 3.86Å; F124-W133 HydrophobicContact CE2-CE3 3.86Å; F124-W133 AromaticContact CE2-CH2 3.82Å; F124-W133 HydrophobicContact CE2-CH2 3.82Å; F124-W133 HydrophobicContact CE2-CZ2 4.13Å; F124-W133 AromaticContact CE2-CZ3 3.68Å; F124-W133 HydrophobicContact CE2-CZ3 3.68Å; F124-L196 HydrophobicContact CE1-CD2 3.74Å; F124-L196 HydrophobicContact CZ-CD1 4.39Å; F124-L196 HydrophobicContact CZ-CD2 3.59Å; F124-V235 HydrophobicContact CE1-CG1 4.43Å; F124-V235 HydrophobicContact CE2-CG1 3.88Å; F124-V235 HydrophobicContact CZ-CG1 3.6Å; F124-F255 HydrophobicContact CB-CE1 3.95Å; F124-F255 HydrophobicContact CB-CZ 3.69Å; F124-F255 AromaticContact CD1-CZ 3.89Å; F124-F255 HydrophobicContact CD1-CZ 3.89Å; F124-F255 AromaticContact CD2-CZ 3.94Å; F124-F255 HydrophobicContact CD2-CZ 3.94Å; F124-F255 HydrophobicContact CG-CE1 4.29Å; F124-F255 HydrophobicContact CG-CE2 4.45Å; F124-F255 AromaticContact CG-CZ 3.55Å; F124-F255 HydrophobicContact CG-CZ 3.55Å; F124-L273 HydrophobicContact CD1-CD1 4.08Å; F124-L273 HydrophobicContact CD1-CD2 4.14Å; F124-L273 HydrophobicContact CE1-CD2 4.15Å; F124-L277 HydrophobicContact CD1-CD2 4.42Å; F124-L277 HydrophobicContact CE1-CD1 4.2Å; F124-L277 HydrophobicContact CE1-CD2 4.38Å
125C98.2Very high98Very high0 Ų048.7 Ų48.70%025%0.251CS..Hα-helixtrans-58.1-44.2176.7-77.20000112M121 S122 V128 R129 A276 L277 M281M121-C125 VanDerWaalsContact O-CB 3.25Å; M121-C125 WeakPolarHBondContact O-CB 3.27Å; M121-C125 PolarHBondContact O-N 3.45Å; M121-C125 PolarHBondContact O-SG 2.91Å; S122-C125 PolarHBondContact O-N 3.38Å; C125-V128 PolarHBondContact O-N 3.19Å; C125-R129 WeakPolarHBondContact O-CB 3.44Å; C125-R129 WeakPolarHBondContact O-CD 3.32Å; C125-R129 WeakPolarHBondContact O-CG 3.48Å; C125-R129 PolarHBondContact O-N 3.3Å; C125-A276 VanDerWaalsContact SG-CB 3.59Å; C125-L277 HydrophobicContact CB-CD2 4.37Å; C125-M281 HydrophobicContact CB-CG 3.56Å; C125-M281 HydrophobicContact CB-SD 4.23Å
126D97.6Very high98Very high88 Ų8848.7 Ų48.747%0.47125%0.247SC..Hα-helixtrans-64.3-43.3178.6-67.9-24.2000111.2S122 K123 F124 S130S122-D126 VanDerWaalsContact O-CG 3.28Å; S122-D126 PolarHBondContact O-N 3.45Å; K123-D126 PolarHBondContact O-N 3.26Å; F124-D126 VanDerWaalsContact C-N 3.32Å; F124-D126 PolarHBondContact O-N 3.48Å; D126-S130 WeakPolarHBondContact O-CB 3Å; D126-S130 PolarHBondContact O-N 2.88Å; D126-S130 PolarHBondContact O-OG 2.9Å
127S97.8Very high97.9Very high19 Ų1948.7 Ų48.713%0.13324%0.241CC..Hα-helixtrans-63.7-43.6177.9-164.10000112.3K123 F124 S130 G131 E132 W133K123-S127 WeakPolarHBondContact O-CB 3.36Å; K123-S127 PolarHBondContact O-N 3.4Å; F124-S127 PolarHBondContact O-N 2.89Å; S127-S130 PolarHBondContact O-OG 3.24Å; S127-G131 PolarHBondContact O-N 3.1Å; S127-E132 WeakPolarHBondContact CB-OE2 3.46Å; S127-E132 PolarHBondContact O-N 3.23Å; S127-E132 PolarHBondContact OG-OE2 3.35Å; S127-W133 PolarHBondContact O-N 2.85Å
128V98Very high97.9Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-69.3-46.8177.9178.60000111.7F124 C125 G131 W133 I141 I170 L196 L277F124-V128 HydrophobicContact CD1-CG2 4.12Å; F124-V128 HydrophobicContact CD2-CG2 4.49Å; F124-V128 HydrophobicContact CE1-CG2 3.69Å; F124-V128 HydrophobicContact CE2-CG2 4.08Å; F124-V128 HydrophobicContact CZ-CG2 3.66Å; F124-V128 WeakPolarHBondContact O-CG2 3.25Å; F124-V128 PolarHBondContact O-N 3.25Å; C125-V128 PolarHBondContact O-N 3.19Å; V128-G131 PolarHBondContact O-N 2.85Å; V128-G131 VanDerWaalsContact O-N 3.15Å; V128-W133 HydrophobicContact CB-CB 4.43Å; V128-W133 HydrophobicContact CG2-CB 3.86Å; V128-W133 HydrophobicContact CG2-CD2 4.41Å; V128-W133 HydrophobicContact CG2-CG 3.97Å; V128-I141 HydrophobicContact CG1-CB 3.98Å; V128-I141 HydrophobicContact CG1-CG1 4.34Å; V128-I141 HydrophobicContact CG1-CG2 4.13Å; V128-I170 HydrophobicContact CG1-CD1 3.85Å; V128-L196 HydrophobicContact CG2-CD2 4.29Å; V128-L277 HydrophobicContact CB-CD2 3.7Å; V128-L277 HydrophobicContact CG1-CD2 3.81Å; V128-L277 HydrophobicContact CG2-CD2 4.18Å
129R97.9Very high97.9Very high65 Ų6553.9 Ų53.925%0.24527%0.274CS..Hα-helixtrans-73.7-28.4-175.9-68.8168.960.588.6-1.6113.6C125 G131 S168 H169 I170 L277 Y278 G280C125-R129 WeakPolarHBondContact O-CB 3.44Å; C125-R129 WeakPolarHBondContact O-CD 3.32Å; C125-R129 WeakPolarHBondContact O-CG 3.48Å; C125-R129 PolarHBondContact O-N 3.3Å; R129-G131 PolarHBondContact O-N 2.8Å; R129-S168 PolarHBondContact NH1-OG 2.94Å; R129-H169 PolarHBondContact O-CE1 3.05Å; R129-H169 VanDerWaalsContact O-CE1 3.28Å; R129-I170 HydrophobicContact CB-CD1 4.41Å; R129-I170 HydrophobicContact CG-CD1 3.61Å; R129-L277 PolarHBondContact NH1-O 3.35Å; R129-Y278 PolarHBondContact NH1-O 2.66Å; R129-G280 VanDerWaalsContact CZ-CA 3.47Å
130S97.3Very high97.9Very high83 Ų8353.3 Ų53.358%0.5827%0.271SS*.THydrogen-bonded Turntrans-75.1-13.8171.862.60000112.6D126 S127 E132D126-S130 WeakPolarHBondContact O-CB 3Å; D126-S130 PolarHBondContact O-N 2.88Å; D126-S130 PolarHBondContact O-OG 2.9Å; S127-S130 PolarHBondContact O-OG 3.24Å; S130-E132 VanDerWaalsContact C-N 3.28Å; S130-E132 PolarHBondContact OG-N 2.85Å
131G97.4Very high97.9Very high3 Ų350.4 Ų50.43%0.03126%0.258CS..THydrogen-bonded Turntrans77.211.2-172.900000113.3S127 V128 R129 K134S127-G131 PolarHBondContact O-N 3.1Å; V128-G131 PolarHBondContact O-N 2.85Å; V128-G131 VanDerWaalsContact O-N 3.15Å; R129-G131 PolarHBondContact O-N 2.8Å; G131-K134 VanDerWaalsContact O-CD 3.23Å; G131-K134 WeakPolarHBondContact O-CD 3.41Å; G131-K134 WeakPolarHBondContact O-CE 3.28Å; G131-K134 PolarHBondContact O-NZ 2.69Å
132E97.9Very high97.9Very high137 Ų13751.9 Ų51.964%0.6427%0.267SS*.  trans-62.2-45.4170-178.2-165.7-167.900110.5S127 S130 K134S127-E132 WeakPolarHBondContact CB-OE2 3.46Å; S127-E132 PolarHBondContact O-N 3.23Å; S127-E132 PolarHBondContact OG-OE2 3.35Å; S130-E132 VanDerWaalsContact C-N 3.28Å; S130-E132 PolarHBondContact OG-N 2.85Å; E132-K134 WeakPolarHBondContact O-CG 3.43Å; E132-K134 PolarHBondContact O-N 2.83Å; E132-K134 VanDerWaalsContact O-N 3.15Å
133W97.5Very high97.9Very high49 Ų4950.7 Ų50.719%0.18626%0.258CS..SBendtrans-65.7114.7173.1-170.8-78000110F124 S127 V128 K232F124-W133 HydrophobicContact CD2-CE3 4.27Å; F124-W133 HydrophobicContact CD2-CZ3 4.08Å; F124-W133 HydrophobicContact CE2-CD2 4.18Å; F124-W133 AromaticContact CE2-CE3 3.86Å; F124-W133 HydrophobicContact CE2-CE3 3.86Å; F124-W133 AromaticContact CE2-CH2 3.82Å; F124-W133 HydrophobicContact CE2-CH2 3.82Å; F124-W133 HydrophobicContact CE2-CZ2 4.13Å; F124-W133 AromaticContact CE2-CZ3 3.68Å; F124-W133 HydrophobicContact CE2-CZ3 3.68Å; S127-W133 PolarHBondContact O-N 2.85Å; V128-W133 HydrophobicContact CB-CB 4.43Å; V128-W133 HydrophobicContact CG2-CB 3.86Å; V128-W133 HydrophobicContact CG2-CD2 4.41Å; V128-W133 HydrophobicContact CG2-CG 3.97Å; W133-K232 PolarHBondContact NE1-O 3.3Å
134K97.7Very high97.9Very high92 Ų9244.1 Ų44.140%0.423%0.23SC..BIsolated β-bridgetrans-103.9141.1-179.8-56.9-49.4-167.81790111.8G131 E132 G138 K139G131-K134 VanDerWaalsContact O-CD 3.23Å; G131-K134 WeakPolarHBondContact O-CD 3.41Å; G131-K134 WeakPolarHBondContact O-CE 3.28Å; G131-K134 PolarHBondContact O-NZ 2.69Å; E132-K134 WeakPolarHBondContact O-CG 3.43Å; E132-K134 PolarHBondContact O-N 2.83Å; E132-K134 VanDerWaalsContact O-N 3.15Å; K134-G138 VanDerWaalsContact CD-O 3.28Å; K134-G138 WeakPolarHBondContact CD-O 3.36Å; K134-K139 CarbonylContact C-O 3.51Å; K134-K139 WeakPolarHBondContact CA-O 3.37Å
135G97.2Very high97.9Very high0 Ų043.6 Ų43.60%023%0.227CC..  trans-63.9178.4163.100000112.3T137 G138 K139 H233G135-T137 PolarHBondContact O-N 3.06Å; G135-T137 VanDerWaalsContact O-N 3.14Å; G135-G138 PolarHBondContact O-N 3.28Å; G135-K139 PolarHBondContact N-O 3.03Å; G135-H233 VanDerWaalsContact CA-NE2 3.28Å; G135-H233 WeakPolarHBondContact CA-NE2 3.21Å
136Y97Very high98Very high53 Ų5343.6 Ų43.621%0.20823%0.227CC..THydrogen-bonded Turntrans-64.3-22.5-172.379.7-84.1000114.1E193 F220 A224 H229 H233Y136-E193 HydrophobicContact CE1-CB 4.31Å; Y136-E193 HydrophobicContact CE1-CG 3.91Å; Y136-F220 HydrophobicContact CD1-CE2 4.08Å; Y136-F220 HydrophobicContact CD1-CZ 4.24Å; Y136-F220 HydrophobicContact CE1-CE2 4.37Å; Y136-A224 HydrophobicContact CD1-CB 4.2Å; Y136-A224 HydrophobicContact CD2-CB 4.21Å; Y136-A224 HydrophobicContact CE1-CB 4.08Å; Y136-A224 HydrophobicContact CE2-CB 4.09Å; Y136-A224 HydrophobicContact CG-CB 4.27Å; Y136-H229 VanDerWaalsContact CB-CG 3.49Å; Y136-H229 AromaticContact CD2-CD2 3.7Å; Y136-H229 AromaticContact CD2-NE2 3.93Å; Y136-H229 HydrophobicContact CG-CB 4.45Å; Y136-H233 AromaticContact CD1-NE2 3.5Å; Y136-H233 PolarHBondContact N-NE2 3.1Å
137T97.8Very high98Very high61 Ų6139.4 Ų39.437%0.37421%0.205SC..THydrogen-bonded Turntrans-977.6175.562.70000114G135 K139 E193G135-T137 PolarHBondContact O-N 3.06Å; G135-T137 VanDerWaalsContact O-N 3.14Å; T137-K139 VanDerWaalsContact C-N 3.33Å; T137-E193 WeakPolarHBondContact CB-OE2 3.37Å; T137-E193 HydrophobicContact CG2-CB 4.41Å; T137-E193 HydrophobicContact CG2-CG 3.78Å; T137-E193 VanDerWaalsContact CG2-OE2 3.23Å; T137-E193 WeakPolarHBondContact CG2-OE2 3.34Å; T137-E193 PolarHBondContact OG1-OE2 2.83Å
138G97.5Very high98.1Very high45 Ų4538.5 Ų38.546%0.46420%0.199SC..SBendtrans84.71-179.700000114.7K134 G135K134-G138 VanDerWaalsContact CD-O 3.28Å; K134-G138 WeakPolarHBondContact CD-O 3.36Å; G135-G138 PolarHBondContact O-N 3.28Å
139K98.4Very high98Very high95 Ų9541.4 Ų41.441%0.41321%0.214SC..PPolyproline II helixtrans-78.4150.9176.2-65.5177.6-177.8165.10111.4K134 G135 T137 E193 T194K134-K139 CarbonylContact C-O 3.51Å; K134-K139 WeakPolarHBondContact CA-O 3.37Å; G135-K139 PolarHBondContact N-O 3.03Å; T137-K139 VanDerWaalsContact C-N 3.33Å; K139-E193 HydrophobicContact CD-CB 4.17Å; K139-E193 WeakPolarHBondContact CD-OE2 3.17Å; K139-E193 WeakPolarHBondContact CE-OE2 3.37Å; K139-E193 IonicContact NZ-OE1 2.66Å; K139-E193 PolarHBondContact NZ-OE1 2.8Å; K139-E193 IonicContact NZ-OE2 3.86Å; K139-E193 PolarHBondContact NZ-OE2 3.3Å; K139-T194 HydrophobicContact CB-CG2 3.66Å; K139-T194 HydrophobicContact CD-CG2 4.04Å; K139-T194 HydrophobicContact CG-CG2 4.5Å
140Q98.1Very high97.9Very high92 Ų9239.4 Ų39.443%0.4321%0.213SC..BIsolated β-bridgetrans-71.1151.7173.668.3-172.8-800111.3T194Q140-T194 WeakPolarHBondContact O-CB 3.49Å; Q140-T194 VanDerWaalsContact O-CG2 3.31Å; Q140-T194 WeakPolarHBondContact O-CG2 3.25Å
141I98.4Very high97.8Very high0 Ų035.8 Ų35.80%019%0.189CC..PPolyproline II helixtrans-69.6135174.8-58.2-57.1000110V128 D143 V144 T194 L196V128-I141 HydrophobicContact CG1-CB 3.98Å; V128-I141 HydrophobicContact CG1-CG1 4.34Å; V128-I141 HydrophobicContact CG1-CG2 4.13Å; I141-D143 WeakPolarHBondContact CG2-O 3.37Å; I141-V144 HydrophobicContact CG2-CG2 4.47Å; I141-T194 CarbonylContact C-O 3.59Å; I141-T194 WeakPolarHBondContact CA-O 3.21Å; I141-L196 HydrophobicContact CD1-CB 4.4Å; I141-L196 HydrophobicContact CG1-CB 4.46Å; I141-L196 HydrophobicContact CG2-CB 3.81Å
142T98.6Very high97.8Very high31 Ų3136.4 Ų36.419%0.1919%0.193CC..  trans-119-23.1177.3580000112.7R171 T194T142-R171 PolarHBondContact O-N 3.1Å; T142-R171 PolarHBondContact OG1-NH2 2.99Å; T142-T194 PolarHBondContact N-O 3.03Å; T142-T194 WeakPolarHBondContact OG1-CB 3.36Å; T142-T194 PolarHBondContact OG1-OG1 2.77Å
143D98.9Very high97.8Very high2 Ų230.5 Ų30.51%0.01117%0.166CC..EExtended strand (participates in β ladder)trans-131.1136-175.1-62.7-92.1000110.1I141 R171 H173 V190 T194 V195 L196I141-D143 WeakPolarHBondContact CG2-O 3.37Å; D143-R171 CarbonylContact C-O 3.41Å; D143-R171 WeakPolarHBondContact CA-O 3.27Å; D143-R171 VanDerWaalsContact CG-NH2 3.32Å; D143-R171 IonicContact OD1-CZ 2.87Å; D143-R171 IonicContact OD1-NE 3.28Å; D143-R171 PolarHBondContact OD1-NE 3.45Å; D143-R171 IonicContact OD1-NH2 3.68Å; D143-R171 PolarHBondContact OD1-NH2 2.93Å; D143-R171 IonicContact OD2-CZ 3.81Å; D143-R171 IonicContact OD2-NE 2.73Å; D143-R171 IonicContact OD2-NH2 3.85Å; D143-R171 PolarHBondContact OD2-NH2 3.1Å; D143-H173 IonicContact OD1-CD2 3.03Å; D143-H173 IonicContact OD1-CE1 2.74Å; D143-H173 IonicContact OD1-NE2 3.99Å; D143-H173 PolarHBondContact OD1-NE2 3.48Å; D143-V190 HydrophobicContact CB-CB 4.36Å; D143-V190 HydrophobicContact CB-CG1 3.95Å; D143-T194 PolarHBondContact N-O 3.24Å; D143-V195 HydrophobicContact CB-CB 4.44Å; D143-V195 HydrophobicContact CB-CG2 4.21Å; D143-V195 CarbonylContact O-C 3.49Å; D143-V195 WeakPolarHBondContact O-CA 3.47Å; D143-L196 PolarHBondContact O-N 2.72Å
144V98.8Very high97.8Very high0 Ų029.9 Ų29.90%017%0.166CC..EExtended strand (participates in β ladder)trans-117127.5171.9171.30000107.9I141 I170 R171 V172 H173 L196 I198 L277I141-V144 HydrophobicContact CG2-CG2 4.47Å; V144-I170 HydrophobicContact CB-CG2 4.24Å; V144-I170 HydrophobicContact CG2-CG2 3.6Å; V144-R171 PolarHBondContact N-O 3.31Å; V144-V172 HydrophobicContact CB-CG1 4.26Å; V144-V172 CarbonylContact O-C 3.59Å; V144-V172 WeakPolarHBondContact O-CA 3.31Å; V144-H173 PolarHBondContact O-N 2.9Å; V144-L196 CarbonylContact C-O 3.54Å; V144-L196 VanDerWaalsContact CA-O 3.3Å; V144-L196 WeakPolarHBondContact CA-O 3.21Å; V144-L196 HydrophobicContact CG2-CB 4.38Å; V144-L196 HydrophobicContact CG2-CD2 4.42Å; V144-I198 HydrophobicContact CG1-CD1 3.4Å; V144-I198 VanDerWaalsContact CG1-CD1 3.4Å; V144-I198 HydrophobicContact CG1-CG1 3.95Å; V144-L277 HydrophobicContact CG1-CD1 4.21Å; V144-L277 HydrophobicContact CG2-CD1 4.09Å
145V98.9Very high97.9Very high0 Ų025.6 Ų25.60%015%0.148CC..EExtended strand (participates in β ladder)trans-114.7109.2177.4-1770000108.8I147 H173 V175 T186 V190 V195 L196 F197 I198V145-I147 HydrophobicContact CG1-CG1 4.09Å; V145-H173 CarbonylContact C-O 3.33Å; V145-H173 WeakPolarHBondContact CA-O 3.36Å; V145-H173 HydrophobicContact CG2-CB 4.15Å; V145-V175 HydrophobicContact CG1-CG2 3.82Å; V145-T186 HydrophobicContact CG1-CG2 4.04Å; V145-T186 HydrophobicContact CG2-CG2 4.23Å; V145-V190 HydrophobicContact CG2-CG1 4.06Å; V145-V195 HydrophobicContact CG2-CG2 3.62Å; V145-L196 PolarHBondContact N-O 3.22Å; V145-F197 HydrophobicContact CB-CD1 3.64Å; V145-F197 HydrophobicContact CB-CE1 3.86Å; V145-F197 HydrophobicContact CG1-CD1 3.96Å; V145-F197 HydrophobicContact CG1-CE1 4.05Å; V145-F197 HydrophobicContact CG2-CD1 4.22Å; V145-F197 HydrophobicContact CG2-CE1 3.97Å; V145-F197 WeakPolarHBondContact O-CA 3.13Å; V145-I198 PolarHBondContact O-N 3.23Å
146N98.9Very high97.9Very high0 Ų025.6 Ų25.60%015%0.148CC..EExtended strand (participates in β ladder)trans-84.1117.7173.8-17496.9000109.8S152 H173 F174 V175 S274N146-S152 PolarHBondContact ND2-O 2.6Å; N146-S152 VanDerWaalsContact ND2-O 3.1Å; N146-H173 PolarHBondContact N-O 3.2Å; N146-F174 HydrophobicContact CB-CD1 3.66Å; N146-F174 HydrophobicContact CB-CE1 3.9Å; N146-F174 WeakPolarHBondContact O-CA 3.3Å; N146-V175 PolarHBondContact O-N 3Å; N146-S274 PolarHBondContact OD1-OG 2.95Å
147I98.9Very high98Very high0 Ų024.3 Ų24.30%015%0.145CC..EExtended strand (participates in β ladder)trans-107.1110.2177.3-54.3-176.8000108.5V145 V175 F197 I198 I199 A200 T209 N212 A216V145-I147 HydrophobicContact CG1-CG1 4.09Å; I147-V175 WeakPolarHBondContact CA-O 3.42Å; I147-V175 HydrophobicContact CG1-CB 4.28Å; I147-F197 HydrophobicContact CD1-CD1 3.92Å; I147-I198 PolarHBondContact N-O 3.1Å; I147-I199 HydrophobicContact CB-CD1 4.06Å; I147-I199 HydrophobicContact CD1-CD1 3.89Å; I147-I199 HydrophobicContact CG1-CD1 4.27Å; I147-A200 PolarHBondContact O-N 3.16Å; I147-T209 HydrophobicContact CG2-CG2 4.22Å; I147-T209 WeakPolarHBondContact O-CG2 3.28Å; I147-N212 HydrophobicContact CG2-CB 3.57Å; I147-A216 HydrophobicContact CD1-CB 3.69Å
148G98.3Very high98.1Very high1 Ų121.4 Ų21.41%0.0113%0.128CC..  trans-174162-175.500000110.6D153 V175 S176 A200G148-D153 WeakPolarHBondContact O-CB 3.3Å; G148-V175 PolarHBondContact N-O 3.46Å; G148-V175 VanDerWaalsContact N-O 3.1Å; G148-S176 WeakPolarHBondContact O-CA 3.45Å; G148-S176 WeakPolarHBondContact O-CB 3.42Å; G148-A200 WeakPolarHBondContact CA-O 3.27Å
149I97.5Very high98.2Very high61 Ų6119.3 Ų19.331%0.31311%0.106SC..  trans-130.9153.6179.5-163.6168000111.3G151 S152 T206 E208I149-G151 PolarHBondContact O-N 2.82Å; I149-S152 PolarHBondContact O-N 3.36Å; I149-T206 HydrophobicContact CG2-CG2 3.82Å; I149-E208 HydrophobicContact CD1-CB 4.13Å; I149-E208 HydrophobicContact CD1-CG 4.1Å
150G95.4Very high98.2Very high22 Ų2215 Ų1523%0.2279%0.087CC..G310 helixtrans60.6-118179.400000111.4S152 D153 L154 Q345G150-S152 PolarHBondContact O-N 2.87Å; G150-D153 PolarHBondContact O-N 2.98Å; G150-L154 PolarHBondContact O-N 2.82Å; G150-Q345 VanDerWaalsContact C-OE1 3.29Å
151G94.5Very high98.2Very high8 Ų813.1 Ų13.18%0.0828%0.078CC..G310 helixtrans-65.3-23.5-177.700000114.1I149 D153 G263 S266 Q345I149-G151 PolarHBondContact O-N 2.82Å; G151-D153 VanDerWaalsContact C-N 3.25Å; G151-D153 PolarHBondContact O-N 2.83Å; G151-G263 CarbonylContact C-O 3.57Å; G151-G263 VanDerWaalsContact CA-C 3.5Å; G151-G263 WeakPolarHBondContact CA-O 3.38Å; G151-S266 PolarHBondContact O-OG 3.43Å; G151-Q345 VanDerWaalsContact N-NE2 3.17Å
152S97.1Very high98.2Very high16 Ų1613.1 Ų13.111%0.1128%0.078CC..G310 helixtrans-85.87.3175.9-59.90000113.5N146 I149 G150 A200N146-S152 PolarHBondContact ND2-O 2.6Å; N146-S152 VanDerWaalsContact ND2-O 3.1Å; I149-S152 PolarHBondContact O-N 3.36Å; G150-S152 PolarHBondContact O-N 2.87Å; S152-A200 VanDerWaalsContact CB-O 3.27Å; S152-A200 WeakPolarHBondContact CB-O 3.42Å
153D98.5Very high98.2Very high12 Ų1211.6 Ų11.66%0.0647%0.069CC..THydrogen-bonded Turntrans-133.1-59.4-177.7-176.156000112.2G148 G150 G151 G155 P156 V157 S176G148-D153 WeakPolarHBondContact O-CB 3.3Å; G150-D153 PolarHBondContact O-N 2.98Å; G151-D153 VanDerWaalsContact C-N 3.25Å; G151-D153 PolarHBondContact O-N 2.83Å; D153-G155 VanDerWaalsContact C-N 3.33Å; D153-G155 PolarHBondContact O-N 2.71Å; D153-P156 VanDerWaalsContact O-CD 3.25Å; D153-P156 WeakPolarHBondContact O-CD 3.47Å; D153-V157 VanDerWaalsContact O-CG2 3.28Å; D153-V157 WeakPolarHBondContact O-CG2 3.32Å; D153-V157 PolarHBondContact O-N 2.88Å; D153-V157 WeakPolarHBondContact OD1-CG2 3.28Å; D153-S176 VanDerWaalsContact CG-CB 3.43Å; D153-S176 VanDerWaalsContact OD2-CB 3.25Å; D153-S176 WeakPolarHBondContact OD2-CB 3.13Å; D153-S176 PolarHBondContact OD2-OG 3.44Å; D153-S176 VanDerWaalsContact OD2-OG 3.14Å
154L98.2Very high98.2Very high37 Ų3715.3 Ų15.319%0.1949%0.085CC..Hα-helixtrans-60.5-38.9-167.1-72.2176.7000113.5G150 M158 Y342 Q345G150-L154 PolarHBondContact O-N 2.82Å; L154-M158 WeakPolarHBondContact O-CB 3.5Å; L154-M158 PolarHBondContact O-N 3.28Å; L154-Y342 HydrophobicContact CB-CD2 4.33Å; L154-Q345 HydrophobicContact CD1-CB 3.75Å; L154-Q345 HydrophobicContact CD1-CG 4.45Å
155G98.7Very high98.2Very high1 Ų117.8 Ų17.81%0.0110%0.101CC..Hα-helixtrans-62.6-59.9175.700000112.1D153 V157 M158 V159D153-G155 VanDerWaalsContact C-N 3.33Å; D153-G155 PolarHBondContact O-N 2.71Å; G155-V157 VanDerWaalsContact C-N 3.35Å; G155-V157 PolarHBondContact O-N 2.93Å; G155-M158 PolarHBondContact O-N 3.19Å; G155-V159 WeakPolarHBondContact O-CG2 3.42Å; G155-V159 PolarHBondContact O-N 2.8Å
156P98.7Very high98.2Very high0 Ų020.5 Ų20.50%011%0.112CC..Hα-helixtrans-51.5-45.2173.3-31.737.1000115.3D153 T160 F174 I271 S274 I275D153-P156 VanDerWaalsContact O-CD 3.25Å; D153-P156 WeakPolarHBondContact O-CD 3.47Å; P156-T160 WeakPolarHBondContact O-CB 3.06Å; P156-T160 WeakPolarHBondContact O-CG2 3.46Å; P156-T160 PolarHBondContact O-N 3.5Å; P156-T160 PolarHBondContact O-OG1 2.94Å; P156-F174 HydrophobicContact CB-CD1 4.37Å; P156-F174 HydrophobicContact CB-CE1 3.59Å; P156-F174 HydrophobicContact CB-CZ 4.35Å; P156-I271 HydrophobicContact CG-CG2 3.82Å; P156-I271 WeakPolarHBondContact CG-O 3.31Å; P156-S274 WeakPolarHBondContact CB-OG 3.46Å; P156-I275 HydrophobicContact CB-CG1 4.33Å
157V98.8Very high98.2Very high26 Ų2622.2 Ų22.216%0.15813%0.126CC..Hα-helixtrans-58.5-53.8175.6171.10000110.6D153 G155 V159 T160 E161 F174 R338D153-V157 VanDerWaalsContact O-CG2 3.28Å; D153-V157 WeakPolarHBondContact O-CG2 3.32Å; D153-V157 PolarHBondContact O-N 2.88Å; D153-V157 WeakPolarHBondContact OD1-CG2 3.28Å; G155-V157 VanDerWaalsContact C-N 3.35Å; G155-V157 PolarHBondContact O-N 2.93Å; V157-V159 PolarHBondContact O-N 3.15Å; V157-T160 PolarHBondContact O-OG1 2.73Å; V157-T160 VanDerWaalsContact O-OG1 3.14Å; V157-E161 WeakPolarHBondContact O-CB 3.49Å; V157-E161 PolarHBondContact O-N 2.93Å; V157-F174 HydrophobicContact CB-CD2 4.49Å; V157-F174 HydrophobicContact CB-CG 4.43Å; V157-F174 HydrophobicContact CG2-CB 3.57Å; V157-F174 HydrophobicContact CG2-CD1 3.51Å; V157-F174 HydrophobicContact CG2-CD2 3.74Å; V157-F174 HydrophobicContact CG2-CE1 4.14Å; V157-F174 HydrophobicContact CG2-CE2 4.31Å; V157-F174 HydrophobicContact CG2-CG 3.31Å; V157-F174 HydrophobicContact CG2-CZ 4.49Å; V157-R338 HydrophobicContact CG1-CG 4.18Å
158M98.9Very high97.8Very high1 Ų124 Ų241%0.00514%0.138CC..Hα-helixtrans-62-45.4-176.2175.3-82.3-69.800111.8L154 G155 E161 C162 L267 R338 F339 Y342 L478 I482L154-M158 WeakPolarHBondContact O-CB 3.5Å; L154-M158 PolarHBondContact O-N 3.28Å; G155-M158 PolarHBondContact O-N 3.19Å; M158-E161 PolarHBondContact O-N 3.1Å; M158-C162 WeakPolarHBondContact O-CB 3.36Å; M158-C162 PolarHBondContact O-N 2.79Å; M158-C162 PolarHBondContact O-SG 3.18Å; M158-L267 HydrophobicContact CE-CD2 4.36Å; M158-R338 HydrophobicContact CB-CB 4.05Å; M158-R338 HydrophobicContact CG-CB 4.31Å; M158-F339 HydrophobicContact SD-CD2 4.05Å; M158-Y342 HydrophobicContact CB-CG 4.45Å; M158-Y342 HydrophobicContact CE-CD1 3.6Å; M158-Y342 HydrophobicContact CE-CD2 3.84Å; M158-Y342 HydrophobicContact CE-CE1 3.98Å; M158-Y342 HydrophobicContact CE-CE2 4.19Å; M158-Y342 HydrophobicContact CE-CG 3.52Å; M158-Y342 HydrophobicContact CG-CG 4.38Å; M158-L478 HydrophobicContact SD-CD1 4.33Å; M158-I482 HydrophobicContact CE-CD1 3.64Å; M158-I482 HydrophobicContact CE-CG1 3.92Å; M158-I482 HydrophobicContact SD-CD1 4.36Å
159V98.9Very high97.6Very high0 Ų028.5 Ų28.50%016%0.159CC..Hα-helixtrans-69.5-41.3-176.6175.70000111.8G155 V157 E161 C162 L163 L267 I275 L287 L478 I482G155-V159 WeakPolarHBondContact O-CG2 3.42Å; G155-V159 PolarHBondContact O-N 2.8Å; V157-V159 PolarHBondContact O-N 3.15Å; V159-E161 VanDerWaalsContact C-N 3.32Å; V159-E161 PolarHBondContact O-N 3.43Å; V159-C162 PolarHBondContact O-N 3.15Å; V159-L163 HydrophobicContact CG1-CD1 3.73Å; V159-L163 HydrophobicContact CG1-CG 4.26Å; V159-L163 WeakPolarHBondContact O-CB 3.47Å; V159-L163 WeakPolarHBondContact O-CG 3.49Å; V159-L163 PolarHBondContact O-N 3.28Å; V159-L267 HydrophobicContact CG2-CD1 4.22Å; V159-L267 HydrophobicContact CG2-CD2 4.07Å; V159-I275 HydrophobicContact CB-CD1 3.73Å; V159-I275 HydrophobicContact CB-CG1 4.09Å; V159-I275 HydrophobicContact CB-CG2 4.4Å; V159-I275 HydrophobicContact CG1-CB 4.46Å; V159-I275 HydrophobicContact CG1-CD1 3.86Å; V159-I275 HydrophobicContact CG1-CG1 4.12Å; V159-I275 HydrophobicContact CG1-CG2 3.52Å; V159-I275 HydrophobicContact CG2-CD1 4.1Å; V159-L287 HydrophobicContact CG1-CD2 3.78Å; V159-L478 HydrophobicContact CB-CD2 4.44Å; V159-L478 HydrophobicContact CG1-CD2 4Å; V159-L478 HydrophobicContact CG2-CD2 4.35Å; V159-I482 HydrophobicContact CG2-CD1 4.05Å
160T98.9Very high97.7Very high4 Ų425.6 Ų25.63%0.02514%0.144CC..Hα-helixtrans-66.4-35.8176.754.40000111.9P156 V157 L163 K164 V172 F174 I275 Y278P156-T160 WeakPolarHBondContact O-CB 3.06Å; P156-T160 WeakPolarHBondContact O-CG2 3.46Å; P156-T160 PolarHBondContact O-N 3.5Å; P156-T160 PolarHBondContact O-OG1 2.94Å; V157-T160 PolarHBondContact O-OG1 2.73Å; V157-T160 VanDerWaalsContact O-OG1 3.14Å; T160-L163 PolarHBondContact O-N 2.77Å; T160-K164 PolarHBondContact O-N 3.25Å; T160-K164 VanDerWaalsContact O-N 3.11Å; T160-V172 HydrophobicContact CG2-CG2 4.23Å; T160-F174 HydrophobicContact CG2-CZ 3.98Å; T160-F174 VanDerWaalsContact OG1-CE2 3.28Å; T160-F174 WeakPolarHBondContact OG1-CE2 3.37Å; T160-F174 WeakPolarHBondContact OG1-CZ 3.43Å; T160-I275 HydrophobicContact CG2-CB 4.4Å; T160-I275 HydrophobicContact CG2-CG1 4.14Å; T160-Y278 HydrophobicContact CG2-CD1 3.7Å; T160-Y278 HydrophobicContact CG2-CG 4.17Å; T160-Y278 WeakPolarHBondContact O-CE1 3.23Å
161E98.8Very high97.8Very high53 Ų5330.5 Ų30.525%0.24816%0.156CC..Hα-helixtrans-65.9-46.2173.4-166.559.7-155.300111.5V157 M158 V159 L163 K164 Y335 R338V157-E161 WeakPolarHBondContact O-CB 3.49Å; V157-E161 PolarHBondContact O-N 2.93Å; M158-E161 PolarHBondContact O-N 3.1Å; V159-E161 VanDerWaalsContact C-N 3.32Å; V159-E161 PolarHBondContact O-N 3.43Å; E161-L163 VanDerWaalsContact C-N 3.3Å; E161-L163 PolarHBondContact O-N 2.79Å; E161-K164 PolarHBondContact O-N 3.45Å; E161-K164 IonicContact OE1-NZ 3.88Å; E161-K164 PolarHBondContact OE1-NZ 3.45Å; E161-K164 WeakPolarHBondContact OE2-CE 3.34Å; E161-K164 IonicContact OE2-NZ 3.64Å; E161-K164 PolarHBondContact OE2-NZ 2.82Å; E161-Y335 CarbonylContact C-O 3.5Å; E161-Y335 WeakPolarHBondContact O-CB 3.44Å; E161-Y335 WeakPolarHBondContact O-CD1 3.35Å; E161-R338 HydrophobicContact CG-CG 4.47Å
162C98.9Very high98Very high0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-60.3-36.4176.5-73.90000113.3M158 V159 Y335 L473 L478M158-C162 WeakPolarHBondContact O-CB 3.36Å; M158-C162 PolarHBondContact O-N 2.79Å; M158-C162 PolarHBondContact O-SG 3.18Å; V159-C162 PolarHBondContact O-N 3.15Å; C162-Y335 VanDerWaalsContact CA-O 3.23Å; C162-Y335 WeakPolarHBondContact CA-O 3.46Å; C162-Y335 PolarHBondContact N-O 3.22Å; C162-Y335 PolarHBondContact SG-O 3.47Å; C162-Y335 VanDerWaalsContact SG-O 3.34Å; C162-L473 HydrophobicContact CB-CD2 4.29Å; C162-L478 HydrophobicContact CB-CD1 4.18Å; C162-L478 HydrophobicContact CB-CD2 3.52Å; C162-L478 HydrophobicContact CB-CG 4.49Å
163L98.9Very high98.1Very high0 Ų032.1 Ų32.10%016%0.161CC..THydrogen-bonded Turntrans-105.318.3-173-57.9-177.6000113.7V159 T160 E161 P165 Y166 V279 P475 L478V159-L163 HydrophobicContact CG1-CD1 3.73Å; V159-L163 HydrophobicContact CG1-CG 4.26Å; V159-L163 WeakPolarHBondContact O-CB 3.47Å; V159-L163 WeakPolarHBondContact O-CG 3.49Å; V159-L163 PolarHBondContact O-N 3.28Å; T160-L163 PolarHBondContact O-N 2.77Å; E161-L163 VanDerWaalsContact C-N 3.3Å; E161-L163 PolarHBondContact O-N 2.79Å; L163-P165 VanDerWaalsContact C-N 3.26Å; L163-P165 VanDerWaalsContact O-N 3.14Å; L163-Y166 HydrophobicContact CB-CD2 4.24Å; L163-Y166 HydrophobicContact CD2-CD2 4.1Å; L163-Y166 HydrophobicContact CD2-CE2 4.32Å; L163-Y166 WeakPolarHBondContact O-CA 3.46Å; L163-Y166 WeakPolarHBondContact O-CB 3.43Å; L163-Y166 PolarHBondContact O-N 3.33Å; L163-V279 HydrophobicContact CB-CG1 3.83Å; L163-P475 HydrophobicContact CD1-CB 3.87Å; L163-P475 HydrophobicContact CD1-CG 4.06Å; L163-P475 HydrophobicContact CD2-CB 4.35Å; L163-P475 HydrophobicContact CD2-CG 4.11Å; L163-L478 HydrophobicContact CD1-CD2 4Å; L163-L478 HydrophobicContact CD2-CB 4.37Å; L163-L478 HydrophobicContact CD2-CD2 3.79Å; L163-L478 HydrophobicContact CG-CD2 3.66Å
164K98.7Very high98.1Very high80 Ų8033.1 Ų33.135%0.34817%0.165SC..G310 helixtrans-48-36.7174.7-173.5168.7-65.6164.80114.7T160 E161 Y166 A167 Y335T160-K164 PolarHBondContact O-N 3.25Å; T160-K164 VanDerWaalsContact O-N 3.11Å; E161-K164 PolarHBondContact O-N 3.45Å; E161-K164 IonicContact OE1-NZ 3.88Å; E161-K164 PolarHBondContact OE1-NZ 3.45Å; E161-K164 WeakPolarHBondContact OE2-CE 3.34Å; E161-K164 IonicContact OE2-NZ 3.64Å; E161-K164 PolarHBondContact OE2-NZ 2.82Å; K164-Y166 PolarHBondContact O-N 3.5Å; K164-Y166 VanDerWaalsContact O-N 3.14Å; K164-A167 WeakPolarHBondContact O-CB 3.17Å; K164-A167 PolarHBondContact O-N 3.13Å; K164-A167 VanDerWaalsContact O-N 3.15Å; K164-Y335 HydrophobicContact CB-CD1 3.88Å; K164-Y335 HydrophobicContact CB-CE1 3.7Å; K164-Y335 HydrophobicContact CD-CD1 4.46Å; K164-Y335 HydrophobicContact CD-CE1 3.96Å; K164-Y335 HydrophobicContact CG-CE1 4.05Å
165P98.6Very high98.1Very high51 Ų5131.4 Ų31.433%0.33116%0.156SC..G310 helixtrans-60.9-18.7173.3-26.636.7000115.6L163 Y335 H404L163-P165 VanDerWaalsContact C-N 3.26Å; L163-P165 VanDerWaalsContact O-N 3.14Å; P165-Y335 HydrophobicContact CG-CD2 3.95Å; P165-Y335 HydrophobicContact CG-CE1 4.31Å; P165-Y335 HydrophobicContact CG-CE2 3.33Å; P165-H404 HydrophobicContact CB-CB 4.25Å; P165-H404 HydrophobicContact CG-CB 3.9Å
166Y98.6Very high98.1Very high58 Ų5832.3 Ų32.323%0.22716%0.162CC..G310 helixtrans-102.15.6-178.8-60.4-84.7000112.8L163 K164 V279 H404 P475L163-Y166 HydrophobicContact CB-CD2 4.24Å; L163-Y166 HydrophobicContact CD2-CD2 4.1Å; L163-Y166 HydrophobicContact CD2-CE2 4.32Å; L163-Y166 WeakPolarHBondContact O-CA 3.46Å; L163-Y166 WeakPolarHBondContact O-CB 3.43Å; L163-Y166 PolarHBondContact O-N 3.33Å; K164-Y166 PolarHBondContact O-N 3.5Å; K164-Y166 VanDerWaalsContact O-N 3.14Å; Y166-V279 WeakPolarHBondContact O-CA 3.5Å; Y166-H404 AromaticContact CE2-CE1 3.55Å; Y166-H404 AromaticContact CZ-CE1 3.77Å; Y166-H404 PolarHBondContact OH-CE1 2.67Å; Y166-P475 HydrophobicContact CD1-CG 4.34Å; Y166-P475 HydrophobicContact CD2-CG 4.23Å; Y166-P475 HydrophobicContact CE1-CG 4.48Å; Y166-P475 HydrophobicContact CE2-CG 4.37Å; Y166-P475 HydrophobicContact CG-CG 4.21Å
167A97.6Very high98.1Very high36 Ų3636.2 Ų36.230%0.29818%0.183SC..  trans-65.4154.3-178.800000112.9K164 Y278K164-A167 WeakPolarHBondContact O-CB 3.17Å; K164-A167 PolarHBondContact O-N 3.13Å; K164-A167 VanDerWaalsContact O-N 3.15Å; A167-Y278 HydrophobicContact CB-CD1 4.23Å; A167-Y278 HydrophobicContact CB-CD2 4.06Å; A167-Y278 HydrophobicContact CB-CE1 3.67Å; A167-Y278 HydrophobicContact CB-CE2 3.46Å; A167-Y278 VanDerWaalsContact CB-CE2 3.46Å; A167-Y278 HydrophobicContact CB-CG 4.42Å; A167-Y278 WeakPolarHBondContact CB-OH 3.41Å
168S92.2Very high98.1Very high36 Ų3638.7 Ų38.725%0.25220%0.195SC..  trans-95.4-158.9167.8780000112.1R129 I170 Y278R129-S168 PolarHBondContact NH1-OG 2.94Å; S168-I170 VanDerWaalsContact C-N 3.3Å; S168-I170 PolarHBondContact OG-N 3.34Å; S168-Y278 PolarHBondContact N-O 3.37Å; S168-Y278 PolarHBondContact OG-O 3.42Å
169H94.4Very high98Very high96 Ų9642.6 Ų42.644%0.44422%0.216SC..SBendtrans-74.8-16.1173.366.4-85.6000113.7R129 R171R129-H169 PolarHBondContact O-CE1 3.05Å; R129-H169 VanDerWaalsContact O-CE1 3.28Å; H169-R171 PolarHBondContact O-N 3.09Å
170I97.7Very high98Very high1 Ų144.7 Ų44.71%0.00524%0.237CC..  trans-71.9127.4178-64.2-176.2000109.2V128 R129 V144 S168 Y278V128-I170 HydrophobicContact CG1-CD1 3.85Å; R129-I170 HydrophobicContact CB-CD1 4.41Å; R129-I170 HydrophobicContact CG-CD1 3.61Å; V144-I170 HydrophobicContact CB-CG2 4.24Å; V144-I170 HydrophobicContact CG2-CG2 3.6Å; S168-I170 VanDerWaalsContact C-N 3.3Å; S168-I170 PolarHBondContact OG-N 3.34Å; I170-Y278 VanDerWaalsContact O-CD2 3.26Å; I170-Y278 WeakPolarHBondContact O-CD2 3.2Å; I170-Y278 WeakPolarHBondContact O-CE2 3.15Å
171R98.6Very high98Very high125 Ų12548.3 Ų48.347%0.47226%0.259SS..EExtended strand (participates in β ladder)trans-88.3139.5170.6-66.1179.2-65-86.71.9110.1T142 D143 V144 H169T142-R171 PolarHBondContact O-N 3.1Å; T142-R171 PolarHBondContact OG1-NH2 2.99Å; D143-R171 CarbonylContact C-O 3.41Å; D143-R171 WeakPolarHBondContact CA-O 3.27Å; D143-R171 VanDerWaalsContact CG-NH2 3.32Å; D143-R171 IonicContact OD1-CZ 2.87Å; D143-R171 IonicContact OD1-NE 3.28Å; D143-R171 PolarHBondContact OD1-NE 3.45Å; D143-R171 IonicContact OD1-NH2 3.68Å; D143-R171 PolarHBondContact OD1-NH2 2.93Å; D143-R171 IonicContact OD2-CZ 3.81Å; D143-R171 IonicContact OD2-NE 2.73Å; D143-R171 IonicContact OD2-NH2 3.85Å; D143-R171 PolarHBondContact OD2-NH2 3.1Å; V144-R171 PolarHBondContact N-O 3.31Å; H169-R171 PolarHBondContact O-N 3.09Å
172V98.6Very high98Very high27 Ų2748.6 Ų48.616%0.16426%0.26CS..EExtended strand (participates in β ladder)trans-109.9140.6173.2-70.10000110.9V144 T160 F174 Y278V144-V172 HydrophobicContact CB-CG1 4.26Å; V144-V172 CarbonylContact O-C 3.59Å; V144-V172 WeakPolarHBondContact O-CA 3.31Å; T160-V172 HydrophobicContact CG2-CG2 4.23Å; V172-F174 HydrophobicContact CB-CE2 4.07Å; V172-F174 HydrophobicContact CB-CZ 4.17Å; V172-F174 HydrophobicContact CG2-CE2 3.81Å; V172-F174 HydrophobicContact CG2-CZ 4.12Å; V172-Y278 HydrophobicContact CB-CD2 4.39Å; V172-Y278 HydrophobicContact CG1-CD2 3.88Å; V172-Y278 HydrophobicContact CG1-CG 4.01Å; V172-Y278 HydrophobicContact CG2-CD1 4.24Å; V172-Y278 HydrophobicContact CG2-CD2 3.75Å; V172-Y278 HydrophobicContact CG2-CE1 4.39Å; V172-Y278 HydrophobicContact CG2-CE2 3.93Å; V172-Y278 HydrophobicContact CG2-CG 3.91Å
173H98.8Very high98Very high31 Ų3149.1 Ų49.114%0.14426%0.263CS..EExtended strand (participates in β ladder)trans-129.9150.6174.1-49.3-98.1000108.4D143 V144 V145 N146 T186D143-H173 IonicContact OD1-CD2 3.03Å; D143-H173 IonicContact OD1-CE1 2.74Å; D143-H173 IonicContact OD1-NE2 3.99Å; D143-H173 PolarHBondContact OD1-NE2 3.48Å; V144-H173 PolarHBondContact O-N 2.9Å; V145-H173 CarbonylContact C-O 3.33Å; V145-H173 WeakPolarHBondContact CA-O 3.36Å; V145-H173 HydrophobicContact CG2-CB 4.15Å; N146-H173 PolarHBondContact N-O 3.2Å; H173-T186 HydrophobicContact CB-CG2 3.76Å
174F98.8Very high98Very high33 Ų3351.3 Ų51.315%0.14528%0.281CS..EExtended strand (participates in β ladder)trans-129.3125.3-176.2-62.2-86.3000109.1N146 P156 V157 T160 V172 H182N146-F174 HydrophobicContact CB-CD1 3.66Å; N146-F174 HydrophobicContact CB-CE1 3.9Å; N146-F174 WeakPolarHBondContact O-CA 3.3Å; P156-F174 HydrophobicContact CB-CD1 4.37Å; P156-F174 HydrophobicContact CB-CE1 3.59Å; P156-F174 HydrophobicContact CB-CZ 4.35Å; V157-F174 HydrophobicContact CB-CD2 4.49Å; V157-F174 HydrophobicContact CB-CG 4.43Å; V157-F174 HydrophobicContact CG2-CB 3.57Å; V157-F174 HydrophobicContact CG2-CD1 3.51Å; V157-F174 HydrophobicContact CG2-CD2 3.74Å; V157-F174 HydrophobicContact CG2-CE1 4.14Å; V157-F174 HydrophobicContact CG2-CE2 4.31Å; V157-F174 HydrophobicContact CG2-CG 3.31Å; V157-F174 HydrophobicContact CG2-CZ 4.49Å; T160-F174 HydrophobicContact CG2-CZ 3.98Å; T160-F174 VanDerWaalsContact OG1-CE2 3.28Å; T160-F174 WeakPolarHBondContact OG1-CE2 3.37Å; T160-F174 WeakPolarHBondContact OG1-CZ 3.43Å; V172-F174 HydrophobicContact CB-CE2 4.07Å; V172-F174 HydrophobicContact CB-CZ 4.17Å; V172-F174 HydrophobicContact CG2-CE2 3.81Å; V172-F174 HydrophobicContact CG2-CZ 4.12Å; F174-H182 PolarHBondContact O-CE1 2.81Å; F174-H182 PolarHBondContact O-NE2 3.17Å
175V98.8Very high98Very high0 Ų051.4 Ų51.40%028%0.283CS..EExtended strand (participates in β ladder)trans-122.1114.9178.8178.10000108.3V145 N146 I147 G148 I183 T186 N212V145-V175 HydrophobicContact CG1-CG2 3.82Å; N146-V175 PolarHBondContact O-N 3Å; I147-V175 WeakPolarHBondContact CA-O 3.42Å; I147-V175 HydrophobicContact CG1-CB 4.28Å; G148-V175 PolarHBondContact N-O 3.46Å; G148-V175 VanDerWaalsContact N-O 3.1Å; V175-I183 HydrophobicContact CG1-CB 3.94Å; V175-I183 HydrophobicContact CG1-CD1 4.06Å; V175-I183 HydrophobicContact CG2-CD1 4.14Å; V175-T186 HydrophobicContact CG2-CG2 3.78Å; V175-T186 WeakPolarHBondContact CG2-OG1 3.34Å; V175-N212 HydrophobicContact CG1-CB 4.31Å
176S98.4Very high98Very high20 Ų2049.4 Ų49.414%0.1427%0.269CS..  trans-125.9-57.2-174.856.40000114G148 D153 H182G148-S176 WeakPolarHBondContact O-CA 3.45Å; G148-S176 WeakPolarHBondContact O-CB 3.42Å; D153-S176 VanDerWaalsContact CG-CB 3.43Å; D153-S176 VanDerWaalsContact OD2-CB 3.25Å; D153-S176 WeakPolarHBondContact OD2-CB 3.13Å; D153-S176 PolarHBondContact OD2-OG 3.44Å; D153-S176 VanDerWaalsContact OD2-OG 3.14Å; S176-H182 PolarHBondContact N-CE1 2.95Å; S176-H182 VanDerWaalsContact N-CE1 3.3Å; S176-H182 PolarHBondContact N-ND1 2.8Å; S176-H182 VanDerWaalsContact N-ND1 3.19Å; S176-H182 PolarHBondContact OG-CE1 3.47Å
177N98.2Very high98Very high82 Ų8247.6 Ų47.644%0.43926%0.264SS..  trans-55.4143.5179-157.5-19.3000112.8D179 H182 N212N177-D179 VanDerWaalsContact C-N 3.29Å; N177-D179 HydrophobicContact CB-CB 4.44Å; N177-D179 PolarHBondContact OD1-N 3.42Å; N177-D179 VanDerWaalsContact OD1-N 3.09Å; N177-H182 HydrophobicContact CB-CB 4.29Å; N177-H182 PolarHBondContact N-ND1 2.9Å; N177-N212 PolarHBondContact O-ND2 3.36Å
178I98.1Very high98.1Very high79 Ų7953 Ų5341%0.40528%0.28SS..SBendtrans-79.6-13.2173.3-169.248.8000112.7G180 E208 T211I178-G180 PolarHBondContact O-N 2.81Å; I178-E208 HydrophobicContact CB-CB 4.04Å; I178-E208 HydrophobicContact CB-CG 3.76Å; I178-E208 HydrophobicContact CG1-CG 4.33Å; I178-E208 HydrophobicContact CG2-CG 4.14Å; I178-T211 HydrophobicContact CD1-CG2 3.72Å
179D98.5Very high98.4Very high83 Ų8357.8 Ų57.844%0.44430%0.297SS..SBendtrans-52.6114.4163.7-179-9.6000109.3N177 T181 H182N177-D179 VanDerWaalsContact C-N 3.29Å; N177-D179 HydrophobicContact CB-CB 4.44Å; N177-D179 PolarHBondContact OD1-N 3.42Å; N177-D179 VanDerWaalsContact OD1-N 3.09Å; D179-T181 PolarHBondContact O-N 3.14Å; D179-T181 VanDerWaalsContact OD1-CB 3.23Å; D179-T181 WeakPolarHBondContact OD1-CB 3.46Å; D179-T181 PolarHBondContact OD1-N 2.87Å; D179-T181 PolarHBondContact OD1-OG1 2.86Å; D179-H182 WeakPolarHBondContact O-CB 3.45Å; D179-H182 PolarHBondContact O-N 3Å
180G98.5Very high98.6Very high43 Ų4354 Ų5444%0.44328%0.28SS..Hα-helixtrans-56.9-20.2-176.600000113.5I178 H182 I183 A184I178-G180 PolarHBondContact O-N 2.81Å; G180-H182 PolarHBondContact O-N 2.8Å; G180-I183 WeakPolarHBondContact O-CG2 3.29Å; G180-A184 WeakPolarHBondContact O-CB 3.36Å; G180-A184 PolarHBondContact O-N 2.82Å
181T98.8Very high98.6Very high81 Ų8157.2 Ų57.250%0.49730%0.298SS..Hα-helixtrans-53.1-40.9170.8-55.30000111.8D179 A184 E185D179-T181 PolarHBondContact O-N 3.14Å; D179-T181 VanDerWaalsContact OD1-CB 3.23Å; D179-T181 WeakPolarHBondContact OD1-CB 3.46Å; D179-T181 PolarHBondContact OD1-N 2.87Å; D179-T181 PolarHBondContact OD1-OG1 2.86Å; T181-A184 PolarHBondContact O-N 3.42Å; T181-E185 HydrophobicContact CG2-CG 4.06Å; T181-E185 WeakPolarHBondContact O-CB 3.41Å; T181-E185 WeakPolarHBondContact O-CG 3.42Å; T181-E185 PolarHBondContact O-N 2.97Å
182H98.8Very high98.6Very high59 Ų5951.8 Ų51.827%0.27328%0.278SS..Hα-helixtrans-67.6-47.7-171.4-161.8-177.7000112.1F174 S176 N177 D179 G180 T186F174-H182 PolarHBondContact O-CE1 2.81Å; F174-H182 PolarHBondContact O-NE2 3.17Å; S176-H182 PolarHBondContact N-CE1 2.95Å; S176-H182 VanDerWaalsContact N-CE1 3.3Å; S176-H182 PolarHBondContact N-ND1 2.8Å; S176-H182 VanDerWaalsContact N-ND1 3.19Å; S176-H182 PolarHBondContact OG-CE1 3.47Å; N177-H182 HydrophobicContact CB-CB 4.29Å; N177-H182 PolarHBondContact N-ND1 2.9Å; D179-H182 WeakPolarHBondContact O-CB 3.45Å; D179-H182 PolarHBondContact O-N 3Å; G180-H182 PolarHBondContact O-N 2.8Å; H182-T186 WeakPolarHBondContact O-CB 3.43Å; H182-T186 PolarHBondContact O-N 2.85Å; H182-T186 PolarHBondContact O-OG1 2.68Å
183I98.8Very high98.6Very high11 Ų1152.5 Ų52.56%0.05628%0.28CS..Hα-helixtrans-68.8-42.6175-174.461.9000110.7V175 G180 E185 T186 L187 A216V175-I183 HydrophobicContact CG1-CB 3.94Å; V175-I183 HydrophobicContact CG1-CD1 4.06Å; V175-I183 HydrophobicContact CG2-CD1 4.14Å; G180-I183 WeakPolarHBondContact O-CG2 3.29Å; I183-E185 PolarHBondContact O-N 3.14Å; I183-T186 PolarHBondContact O-N 3.26Å; I183-L187 HydrophobicContact CD1-CD1 4.03Å; I183-L187 HydrophobicContact CD1-CD2 4.24Å; I183-L187 HydrophobicContact CD1-CG 3.91Å; I183-L187 HydrophobicContact CG1-CD1 3.78Å; I183-L187 HydrophobicContact CG1-CG 4.1Å; I183-L187 WeakPolarHBondContact O-CB 3.3Å; I183-L187 VanDerWaalsContact O-CG 3.27Å; I183-L187 WeakPolarHBondContact O-CG 3.29Å; I183-L187 PolarHBondContact O-N 3.31Å; I183-A216 HydrophobicContact CD1-CB 4.2Å
184A98.7Very high98.6Very high45 Ų4551.8 Ų51.837%0.37228%0.278SS..Hα-helixtrans-61.6-47.5-178.200000112.7G180 T181 T186 L187 K188G180-A184 WeakPolarHBondContact O-CB 3.36Å; G180-A184 PolarHBondContact O-N 2.82Å; T181-A184 PolarHBondContact O-N 3.42Å; A184-T186 VanDerWaalsContact C-N 3.3Å; A184-T186 PolarHBondContact O-N 2.77Å; A184-L187 PolarHBondContact O-N 3.19Å; A184-K188 WeakPolarHBondContact O-CG 3.25Å; A184-K188 PolarHBondContact O-N 3.48Å
185E98.8Very high98.6Very high83 Ų8350.2 Ų50.239%0.38827%0.271SS..Hα-helixtrans-68.3-29.8178.2-71.8-56.4137.700112.9T181 I183 K188T181-E185 HydrophobicContact CG2-CG 4.06Å; T181-E185 WeakPolarHBondContact O-CB 3.41Å; T181-E185 WeakPolarHBondContact O-CG 3.42Å; T181-E185 PolarHBondContact O-N 2.97Å; I183-E185 PolarHBondContact O-N 3.14Å; E185-K188 IonicContact OE1-NZ 3.6Å; E185-K188 PolarHBondContact OE1-NZ 3.03Å; E185-K188 IonicContact OE2-NZ 3.94Å
186T98.8Very high98.6Very high8 Ų850.2 Ų50.25%0.04927%0.271CS..Hα-helixtrans-70.6-45.2174.3-59.20000111V145 H173 V175 H182 I183 A184 K188 K189V145-T186 HydrophobicContact CG1-CG2 4.04Å; V145-T186 HydrophobicContact CG2-CG2 4.23Å; H173-T186 HydrophobicContact CB-CG2 3.76Å; V175-T186 HydrophobicContact CG2-CG2 3.78Å; V175-T186 WeakPolarHBondContact CG2-OG1 3.34Å; H182-T186 WeakPolarHBondContact O-CB 3.43Å; H182-T186 PolarHBondContact O-N 2.85Å; H182-T186 PolarHBondContact O-OG1 2.68Å; I183-T186 PolarHBondContact O-N 3.26Å; A184-T186 VanDerWaalsContact C-N 3.3Å; A184-T186 PolarHBondContact O-N 2.77Å; T186-K188 PolarHBondContact O-N 2.89Å; T186-K189 WeakPolarHBondContact O-CB 3.3Å; T186-K189 PolarHBondContact O-N 2.9Å
187L98.7Very high98.6Very high21 Ų2149.2 Ų49.211%0.1126%0.264CS..Hα-helixtrans-64.4-24.6-179.7-68.2177.4000113.1I183 A184 K189 V190 F197 W219I183-L187 HydrophobicContact CD1-CD1 4.03Å; I183-L187 HydrophobicContact CD1-CD2 4.24Å; I183-L187 HydrophobicContact CD1-CG 3.91Å; I183-L187 HydrophobicContact CG1-CD1 3.78Å; I183-L187 HydrophobicContact CG1-CG 4.1Å; I183-L187 WeakPolarHBondContact O-CB 3.3Å; I183-L187 VanDerWaalsContact O-CG 3.27Å; I183-L187 WeakPolarHBondContact O-CG 3.29Å; I183-L187 PolarHBondContact O-N 3.31Å; A184-L187 PolarHBondContact O-N 3.19Å; L187-K189 PolarHBondContact O-N 3.47Å; L187-V190 HydrophobicContact CD2-CG2 4.21Å; L187-F197 HydrophobicContact CD2-CE1 3.96Å; L187-F197 HydrophobicContact CD2-CZ 3.8Å; L187-W219 HydrophobicContact CD1-CB 3.82Å; L187-W219 HydrophobicContact CD1-CD2 4.06Å; L187-W219 HydrophobicContact CD1-CG 3.67Å; L187-W219 HydrophobicContact CD2-CD2 3.77Å; L187-W219 HydrophobicContact CD2-CE3 3.7Å; L187-W219 HydrophobicContact CD2-CG 4.28Å; L187-W219 HydrophobicContact CD2-CH2 4.33Å; L187-W219 HydrophobicContact CD2-CZ2 4.39Å; L187-W219 HydrophobicContact CD2-CZ3 4.01Å; L187-W219 HydrophobicContact CG-CD2 4.33Å; L187-W219 HydrophobicContact CG-CG 4.42Å
188K98.5Very high98.6Very high149 Ų14945.3 Ų45.365%0.64824%0.243SC*.THydrogen-bonded Turntrans-66.1-20.9171.1-71.2174-173.1175.90113.8A184 E185 T186A184-K188 WeakPolarHBondContact O-CG 3.25Å; A184-K188 PolarHBondContact O-N 3.48Å; E185-K188 IonicContact OE1-NZ 3.6Å; E185-K188 PolarHBondContact OE1-NZ 3.03Å; E185-K188 IonicContact OE2-NZ 3.94Å; T186-K188 PolarHBondContact O-N 2.89Å
189K98.4Very high98.6Very high137 Ų13741.6 Ų41.660%0.59622%0.224SC*.THydrogen-bonded Turntrans-97.6-12.9-174.1-61.9171.2-172.7172.40113.6T186 L187T186-K189 WeakPolarHBondContact O-CB 3.3Å; T186-K189 PolarHBondContact O-N 2.9Å; L187-K189 PolarHBondContact O-N 3.47Å
190V98.7Very high98.6Very high16 Ų1637.6 Ų37.610%0.09720%0.203CC..SBendtrans-115.5154.5-171.8-55.50000111.4D143 V145 L187 V195 W219D143-V190 HydrophobicContact CB-CB 4.36Å; D143-V190 HydrophobicContact CB-CG1 3.95Å; V145-V190 HydrophobicContact CG2-CG1 4.06Å; L187-V190 HydrophobicContact CD2-CG2 4.21Å; V190-V195 HydrophobicContact CB-CB 4.19Å; V190-V195 HydrophobicContact CB-CG2 4.02Å; V190-V195 HydrophobicContact CG1-CG2 4.31Å; V190-V195 HydrophobicContact CG2-CB 4.35Å; V190-V195 HydrophobicContact CG2-CG2 4.08Å; V190-W219 HydrophobicContact CG2-CH2 3.9Å; V190-W219 HydrophobicContact CG2-CZ2 4.39Å
191N98.5Very high98.5Very high69 Ų6935.7 Ų35.737%0.36918%0.182SC..  trans-104.1129.9175.9-176-33.4000109.9E193 T194 V195N191-E193 PolarHBondContact O-N 2.92Å; N191-E193 VanDerWaalsContact O-N 3.1Å; N191-E193 WeakPolarHBondContact OD1-CB 3.29Å; N191-E193 PolarHBondContact OD1-N 3.22Å; N191-T194 PolarHBondContact O-N 2.92Å; N191-V195 WeakPolarHBondContact O-CB 3.48Å; N191-V195 VanDerWaalsContact O-CG1 3.28Å; N191-V195 WeakPolarHBondContact O-CG1 3.13Å; N191-V195 PolarHBondContact O-N 2.77Å
192S98.3Very high98.1Very high10 Ų1034 Ų347%0.0717%0.169CC..THydrogen-bonded Turntrans-57.4-26.2-179.757.30000113.6H223 H233S192-H223 WeakPolarHBondContact OG-CB 3.49Å; S192-H233 PolarHBondContact O-CE1 3.43Å; S192-H233 VanDerWaalsContact O-CE1 3.28Å
193E98.5Very high97.7Very high43 Ų4334.3 Ų34.320%0.20118%0.175CC..THydrogen-bonded Turntrans-77.8-22.7178.8-61.7-173.9-107.800113.9Y136 T137 K139 N191Y136-E193 HydrophobicContact CE1-CB 4.31Å; Y136-E193 HydrophobicContact CE1-CG 3.91Å; T137-E193 WeakPolarHBondContact CB-OE2 3.37Å; T137-E193 HydrophobicContact CG2-CB 4.41Å; T137-E193 HydrophobicContact CG2-CG 3.78Å; T137-E193 VanDerWaalsContact CG2-OE2 3.23Å; T137-E193 WeakPolarHBondContact CG2-OE2 3.34Å; T137-E193 PolarHBondContact OG1-OE2 2.83Å; K139-E193 HydrophobicContact CD-CB 4.17Å; K139-E193 WeakPolarHBondContact CD-OE2 3.17Å; K139-E193 WeakPolarHBondContact CE-OE2 3.37Å; K139-E193 IonicContact NZ-OE1 2.66Å; K139-E193 PolarHBondContact NZ-OE1 2.8Å; K139-E193 IonicContact NZ-OE2 3.86Å; K139-E193 PolarHBondContact NZ-OE2 3.3Å; N191-E193 PolarHBondContact O-N 2.92Å; N191-E193 VanDerWaalsContact O-N 3.1Å; N191-E193 WeakPolarHBondContact OD1-CB 3.29Å; N191-E193 PolarHBondContact OD1-N 3.22Å
194T98.6Very high97.5Very high15 Ų1533.9 Ų33.99%0.09217%0.172CC..THydrogen-bonded Turntrans-131.113.1-169.764.40000114K139 Q140 I141 T142 D143 N191K139-T194 HydrophobicContact CB-CG2 3.66Å; K139-T194 HydrophobicContact CD-CG2 4.04Å; K139-T194 HydrophobicContact CG-CG2 4.5Å; Q140-T194 WeakPolarHBondContact O-CB 3.49Å; Q140-T194 VanDerWaalsContact O-CG2 3.31Å; Q140-T194 WeakPolarHBondContact O-CG2 3.25Å; I141-T194 CarbonylContact C-O 3.59Å; I141-T194 WeakPolarHBondContact CA-O 3.21Å; T142-T194 PolarHBondContact N-O 3.03Å; T142-T194 WeakPolarHBondContact OG1-CB 3.36Å; T142-T194 PolarHBondContact OG1-OG1 2.77Å; D143-T194 PolarHBondContact N-O 3.24Å; N191-T194 PolarHBondContact O-N 2.92Å
195V98.7Very high97.3Very high0 Ų035.7 Ų35.70%018%0.179CC..EExtended strand (participates in β ladder)trans-99.6139.1177.966.10000111.9D143 V145 V190 N191 F197 W219 H233D143-V195 HydrophobicContact CB-CB 4.44Å; D143-V195 HydrophobicContact CB-CG2 4.21Å; D143-V195 CarbonylContact O-C 3.49Å; D143-V195 WeakPolarHBondContact O-CA 3.47Å; V145-V195 HydrophobicContact CG2-CG2 3.62Å; V190-V195 HydrophobicContact CB-CB 4.19Å; V190-V195 HydrophobicContact CB-CG2 4.02Å; V190-V195 HydrophobicContact CG1-CG2 4.31Å; V190-V195 HydrophobicContact CG2-CB 4.35Å; V190-V195 HydrophobicContact CG2-CG2 4.08Å; N191-V195 WeakPolarHBondContact O-CB 3.48Å; N191-V195 VanDerWaalsContact O-CG1 3.28Å; N191-V195 WeakPolarHBondContact O-CG1 3.13Å; N191-V195 PolarHBondContact O-N 2.77Å; V195-F197 HydrophobicContact CB-CE2 4.47Å; V195-F197 HydrophobicContact CG1-CD2 4.3Å; V195-F197 HydrophobicContact CG1-CE2 3.52Å; V195-F197 HydrophobicContact CG1-CZ 3.92Å; V195-F197 HydrophobicContact CG2-CE1 4.31Å; V195-F197 HydrophobicContact CG2-CE2 4.09Å; V195-F197 HydrophobicContact CG2-CZ 3.98Å; V195-W219 HydrophobicContact CG1-CH2 4.31Å; V195-W219 HydrophobicContact CG1-CZ3 4.06Å; V195-H233 PolarHBondContact O-ND1 2.98Å
196L98.6Very high97Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-113.7125.2168.7176.870.2000109.4F124 V128 I141 D143 V144 V145 V235 L277F124-L196 HydrophobicContact CE1-CD2 3.74Å; F124-L196 HydrophobicContact CZ-CD1 4.39Å; F124-L196 HydrophobicContact CZ-CD2 3.59Å; V128-L196 HydrophobicContact CG2-CD2 4.29Å; I141-L196 HydrophobicContact CD1-CB 4.4Å; I141-L196 HydrophobicContact CG1-CB 4.46Å; I141-L196 HydrophobicContact CG2-CB 3.81Å; D143-L196 PolarHBondContact O-N 2.72Å; V144-L196 CarbonylContact C-O 3.54Å; V144-L196 VanDerWaalsContact CA-O 3.3Å; V144-L196 WeakPolarHBondContact CA-O 3.21Å; V144-L196 HydrophobicContact CG2-CB 4.38Å; V144-L196 HydrophobicContact CG2-CD2 4.42Å; V145-L196 PolarHBondContact N-O 3.22Å; L196-V235 HydrophobicContact CD1-CG1 4.24Å; L196-L277 HydrophobicContact CD2-CD1 4.34Å
197F98.8Very high96.8Very high0 Ų037.7 Ų37.70%019%0.192CC..EExtended strand (participates in β ladder)trans-94.9131.7174.2-63.8-82.7000110.8V145 I147 L187 V195 I199 A216 W219 H233 F234 V235V145-F197 HydrophobicContact CB-CD1 3.64Å; V145-F197 HydrophobicContact CB-CE1 3.86Å; V145-F197 HydrophobicContact CG1-CD1 3.96Å; V145-F197 HydrophobicContact CG1-CE1 4.05Å; V145-F197 HydrophobicContact CG2-CD1 4.22Å; V145-F197 HydrophobicContact CG2-CE1 3.97Å; V145-F197 WeakPolarHBondContact O-CA 3.13Å; I147-F197 HydrophobicContact CD1-CD1 3.92Å; L187-F197 HydrophobicContact CD2-CE1 3.96Å; L187-F197 HydrophobicContact CD2-CZ 3.8Å; V195-F197 HydrophobicContact CB-CE2 4.47Å; V195-F197 HydrophobicContact CG1-CD2 4.3Å; V195-F197 HydrophobicContact CG1-CE2 3.52Å; V195-F197 HydrophobicContact CG1-CZ 3.92Å; V195-F197 HydrophobicContact CG2-CE1 4.31Å; V195-F197 HydrophobicContact CG2-CE2 4.09Å; V195-F197 HydrophobicContact CG2-CZ 3.98Å; F197-I199 HydrophobicContact CB-CD1 4.37Å; F197-A216 HydrophobicContact CD1-CB 3.96Å; F197-A216 HydrophobicContact CE1-CB 3.81Å; F197-A216 HydrophobicContact CZ-CB 4.21Å; F197-W219 HydrophobicContact CE2-CE3 4.36Å; F197-W219 AromaticContact CE2-CZ3 3.98Å; F197-W219 HydrophobicContact CE2-CZ3 3.98Å; F197-W219 HydrophobicContact CZ-CE3 4.02Å; F197-W219 AromaticContact CZ-CZ3 3.74Å; F197-W219 HydrophobicContact CZ-CZ3 3.74Å; F197-H233 PolarHBondContact N-O 3.05Å; F197-F234 HydrophobicContact CB-CD1 3.61Å; F197-F234 HydrophobicContact CB-CE1 3.6Å; F197-F234 HydrophobicContact CB-CG 4.21Å; F197-F234 HydrophobicContact CB-CZ 4.19Å; F197-F234 HydrophobicContact CD2-CD1 4.35Å; F197-F234 HydrophobicContact CD2-CD2 4.43Å; F197-F234 AromaticContact CD2-CE1 3.72Å; F197-F234 HydrophobicContact CD2-CE1 3.72Å; F197-F234 AromaticContact CD2-CE2 3.81Å; F197-F234 HydrophobicContact CD2-CE2 3.81Å; F197-F234 AromaticContact CD2-CZ 3.4Å; F197-F234 HydrophobicContact CD2-CZ 3.4Å; F197-F234 VanDerWaalsContact CD2-CZ 3.4Å; F197-F234 HydrophobicContact CE2-CE2 4.42Å; F197-F234 AromaticContact CE2-CZ 3.96Å; F197-F234 HydrophobicContact CE2-CZ 3.96Å; F197-F234 HydrophobicContact CG-CD1 4.24Å; F197-F234 AromaticContact CG-CE1 3.73Å; F197-F234 HydrophobicContact CG-CE1 3.73Å; F197-F234 AromaticContact CG-CZ 3.92Å; F197-F234 HydrophobicContact CG-CZ 3.92Å; F197-F234 WeakPolarHBondContact O-CA 3.29Å; F197-V235 PolarHBondContact O-N 3.33Å
198I98.8Very high96.7Very high0 Ų039.1 Ų39.10%020%0.198CC..EExtended strand (participates in β ladder)trans-111.7112.2175-59.5-179.6000107.7V144 V145 I147 A200 V235 L237 L273 L277V144-I198 HydrophobicContact CG1-CD1 3.4Å; V144-I198 VanDerWaalsContact CG1-CD1 3.4Å; V144-I198 HydrophobicContact CG1-CG1 3.95Å; V145-I198 PolarHBondContact O-N 3.23Å; I147-I198 PolarHBondContact N-O 3.1Å; I198-A200 PolarHBondContact O-N 3.21Å; I198-V235 HydrophobicContact CB-CG2 4.16Å; I198-V235 HydrophobicContact CG1-CG2 3.67Å; I198-V235 HydrophobicContact CG2-CG2 4.26Å; I198-L237 HydrophobicContact CG2-CD1 3.45Å; I198-L237 VanDerWaalsContact CG2-CD1 3.45Å; I198-L237 HydrophobicContact CG2-CD2 3.96Å; I198-L237 HydrophobicContact CG2-CG 3.56Å; I198-L273 HydrophobicContact CD1-CD2 4.18Å; I198-L273 HydrophobicContact CD1-CG 4.23Å; I198-L277 HydrophobicContact CD1-CD1 3.66Å
199I98.6Very high96.6Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-91.7102.5178.8-47-50.7000108.7I147 F197 F204 T209 M210 A213 F234 V235 A236 L237 I249I147-I199 HydrophobicContact CB-CD1 4.06Å; I147-I199 HydrophobicContact CD1-CD1 3.89Å; I147-I199 HydrophobicContact CG1-CD1 4.27Å; F197-I199 HydrophobicContact CB-CD1 4.37Å; I199-F204 HydrophobicContact CB-CE2 3.86Å; I199-F204 HydrophobicContact CB-CZ 4.04Å; I199-F204 HydrophobicContact CG2-CD2 4.43Å; I199-F204 HydrophobicContact CG2-CE2 3.51Å; I199-F204 HydrophobicContact CG2-CZ 3.71Å; I199-T209 HydrophobicContact CG2-CG2 4.2Å; I199-M210 HydrophobicContact CG2-SD 4.34Å; I199-A213 HydrophobicContact CD1-CB 3.67Å; I199-A213 HydrophobicContact CG1-CB 4.19Å; I199-A213 HydrophobicContact CG2-CB 3.95Å; I199-F234 HydrophobicContact CD1-CD1 4.13Å; I199-F234 HydrophobicContact CD1-CE1 4.46Å; I199-F234 HydrophobicContact CG1-CD1 4.29Å; I199-V235 PolarHBondContact N-O 2.66Å; I199-A236 WeakPolarHBondContact O-CA 3.33Å; I199-L237 PolarHBondContact O-N 2.69Å; I199-I249 HydrophobicContact CG1-CD1 4.19Å
200A98.2Very high96.6Very high0 Ų026.9 Ų26.90%015%0.146CC..EExtended strand (participates in β ladder)trans-99.899.2-173.900000110.7I147 G148 S152 I198 L237 I271I147-A200 PolarHBondContact O-N 3.16Å; G148-A200 WeakPolarHBondContact CA-O 3.27Å; S152-A200 VanDerWaalsContact CB-O 3.27Å; S152-A200 WeakPolarHBondContact CB-O 3.42Å; I198-A200 PolarHBondContact O-N 3.21Å; A200-L237 HydrophobicContact CB-CB 4.47Å; A200-L237 HydrophobicContact CB-CD1 3.9Å; A200-L237 HydrophobicContact CB-CG 4.41Å; A200-I271 HydrophobicContact CB-CD1 4.11Å
201S96.5Very high96.6Very high2 Ų229 Ų291%0.01416%0.159CC..  trans-155.3119.8179.5-179.70000111.8T203 F204 T206 L237 S238S201-T203 PolarHBondContact O-N 2.64Å; S201-F204 PolarHBondContact O-N 2.85Å; S201-F204 WeakPolarHBondContact OG-CA 3.12Å; S201-F204 PolarHBondContact OG-N 2.93Å; S201-T206 PolarHBondContact OG-OG1 3.39Å; S201-L237 CarbonylContact C-O 3.48Å; S201-L237 PolarHBondContact N-O 3.11Å; S201-L237 VanDerWaalsContact O-O 3.13Å; S201-S238 WeakPolarHBondContact O-CA 3.49Å; S201-S238 VanDerWaalsContact O-CB 3.29Å; S201-S238 WeakPolarHBondContact O-CB 3.49Å; S201-S238 PolarHBondContact O-OG 3.31Å
202K90.2Very high96.6Very high47 Ų4725.9 Ų25.920%0.20414%0.142CC..SBendtrans-52.5-54.5177.3-173.8172.8-173.2167.80111.9S238 T239 F257 D259 V261K202-S238 PolarHBondContact O-OG 3.5Å; K202-S238 VanDerWaalsContact O-OG 3.13Å; K202-T239 HydrophobicContact CG-CG2 3.93Å; K202-T239 PolarHBondContact O-N 3.18Å; K202-T239 VanDerWaalsContact O-N 3.15Å; K202-T239 PolarHBondContact O-OG1 3.08Å; K202-T239 VanDerWaalsContact O-OG1 3.13Å; K202-F257 HydrophobicContact CB-CE2 3.78Å; K202-F257 HydrophobicContact CB-CZ 3.58Å; K202-F257 HydrophobicContact CD-CE2 4.01Å; K202-F257 HydrophobicContact CG-CE2 3.6Å; K202-F257 HydrophobicContact CG-CZ 3.88Å; K202-D259 PolarHBondContact NZ-O 2.99Å; K202-V261 PolarHBondContact NZ-O 2.92Å
203T89.6Confident96.6Very high65 Ų6525.4 Ų25.440%0.39914%0.139SC..SBendtrans-85.3-16.6-17762.30000113.3S201 T205 N240S201-T203 PolarHBondContact O-N 2.64Å; T203-T205 VanDerWaalsContact CB-OG1 3.23Å; T203-T205 WeakPolarHBondContact CB-OG1 3.4Å; T203-T205 PolarHBondContact O-N 3.28Å; T203-T205 PolarHBondContact OG1-N 3.26Å; T203-T205 PolarHBondContact OG1-OG1 2.91Å; T203-N240 PolarHBondContact O-ND2 3.21Å
204F95Very high96.6Very high2 Ų227.3 Ų27.31%0.00915%0.151CC..SBendtrans57.223.8-169.6-138.2-106.5000114.4I199 S201 M210 A236 N240 E243 V244 F247 I249I199-F204 HydrophobicContact CB-CE2 3.86Å; I199-F204 HydrophobicContact CB-CZ 4.04Å; I199-F204 HydrophobicContact CG2-CD2 4.43Å; I199-F204 HydrophobicContact CG2-CE2 3.51Å; I199-F204 HydrophobicContact CG2-CZ 3.71Å; S201-F204 PolarHBondContact O-N 2.85Å; S201-F204 WeakPolarHBondContact OG-CA 3.12Å; S201-F204 PolarHBondContact OG-N 2.93Å; F204-M210 HydrophobicContact CD1-CE 3.76Å; F204-M210 HydrophobicContact CD1-SD 4.03Å; F204-M210 HydrophobicContact CE1-CE 3.59Å; F204-M210 HydrophobicContact CE1-SD 4.16Å; F204-M210 HydrophobicContact CG-SD 4.24Å; F204-M210 HydrophobicContact CZ-CE 4.25Å; F204-M210 HydrophobicContact CZ-SD 4.47Å; F204-M210 WeakPolarHBondContact O-CG 3.22Å; F204-M210 VanDerWaalsContact O-SD 3.4Å; F204-A236 HydrophobicContact CE2-CB 3.75Å; F204-A236 HydrophobicContact CZ-CB 4.12Å; F204-N240 HydrophobicContact CB-CB 4.22Å; F204-E243 HydrophobicContact CB-CB 4.04Å; F204-E243 HydrophobicContact CD1-CB 3.99Å; F204-E243 HydrophobicContact CG-CB 4.49Å; F204-V244 HydrophobicContact CB-CG2 4.47Å; F204-V244 HydrophobicContact CD1-CG2 3.92Å; F204-V244 HydrophobicContact CD2-CG2 3.7Å; F204-V244 HydrophobicContact CE1-CB 4.41Å; F204-V244 HydrophobicContact CE1-CG2 4Å; F204-V244 HydrophobicContact CE2-CG2 3.8Å; F204-V244 HydrophobicContact CG-CG2 3.76Å; F204-V244 HydrophobicContact CZ-CG2 3.95Å; F204-F247 HydrophobicContact CE1-CB 3.7Å; F204-F247 HydrophobicContact CE1-CD2 4.47Å; F204-F247 HydrophobicContact CE1-CG 4.05Å; F204-F247 HydrophobicContact CZ-CB 4.44Å; F204-F247 HydrophobicContact CZ-CG 4.45Å; F204-I249 HydrophobicContact CZ-CD1 4.11Å
205T94.3Very high96.6Very high83 Ų8328.6 Ų28.651%0.50916%0.16SC..  trans-132.4-1.2-176.854.40000113.4T203 I207 E243T203-T205 VanDerWaalsContact CB-OG1 3.23Å; T203-T205 WeakPolarHBondContact CB-OG1 3.4Å; T203-T205 PolarHBondContact O-N 3.28Å; T203-T205 PolarHBondContact OG1-N 3.26Å; T203-T205 PolarHBondContact OG1-OG1 2.91Å; T205-I207 PolarHBondContact O-N 2.89Å; T205-E243 HydrophobicContact CG2-CG 4.24Å
206T93.1Very high96.6Very high40 Ų4028.6 Ų28.625%0.24516%0.16CC..  trans-55.7119.3175.7-52.10000110.4I149 S201 E208 T209 M210I149-T206 HydrophobicContact CG2-CG2 3.82Å; S201-T206 PolarHBondContact OG-OG1 3.39Å; T206-E208 VanDerWaalsContact C-N 3.34Å; T206-E208 WeakPolarHBondContact CG2-OE2 3.23Å; T206-E208 PolarHBondContact O-N 2.87Å; T206-T209 PolarHBondContact O-N 3.06Å; T206-M210 WeakPolarHBondContact O-CB 3.5Å; T206-M210 WeakPolarHBondContact O-CG 3.36Å; T206-M210 PolarHBondContact O-N 3.26Å
207I94.3Very high96.5Very high93 Ų9330.5 Ų30.548%0.47717%0.168SC..Hα-helixtrans-61.3-41.7-168.1-169.2169.2000112.4T205 T211T205-I207 PolarHBondContact O-N 2.89Å; I207-T211 VanDerWaalsContact O-CB 3.25Å; I207-T211 WeakPolarHBondContact O-CB 3.42Å; I207-T211 PolarHBondContact O-N 3.45Å; I207-T211 PolarHBondContact O-OG1 3.48Å
208E96.5Very high96.5Very high50 Ų5037.6 Ų37.623%0.23420%0.202CC..Hα-helixtrans-63.6-52.1179-59.287.3166.500110.6I149 I178 T206 M210 T211 N212I149-E208 HydrophobicContact CD1-CB 4.13Å; I149-E208 HydrophobicContact CD1-CG 4.1Å; I178-E208 HydrophobicContact CB-CB 4.04Å; I178-E208 HydrophobicContact CB-CG 3.76Å; I178-E208 HydrophobicContact CG1-CG 4.33Å; I178-E208 HydrophobicContact CG2-CG 4.14Å; T206-E208 VanDerWaalsContact C-N 3.34Å; T206-E208 WeakPolarHBondContact CG2-OE2 3.23Å; T206-E208 PolarHBondContact O-N 2.87Å; E208-M210 PolarHBondContact O-N 3.43Å; E208-T211 PolarHBondContact O-N 3.49Å; E208-N212 WeakPolarHBondContact O-CB 3.45Å; E208-N212 PolarHBondContact O-N 2.95Å; E208-N212 PolarHBondContact O-ND2 2.99Å
209T97.6Very high96.5Very high2 Ų240.3 Ų40.31%0.01221%0.212CC..Hα-helixtrans-60.9-46.4179.8-52.50000111.9I147 I199 T206 N212 A213I147-T209 HydrophobicContact CG2-CG2 4.22Å; I147-T209 WeakPolarHBondContact O-CG2 3.28Å; I199-T209 HydrophobicContact CG2-CG2 4.2Å; T206-T209 PolarHBondContact O-N 3.06Å; T209-N212 PolarHBondContact O-N 3.18Å; T209-A213 VanDerWaalsContact O-CB 3.28Å; T209-A213 WeakPolarHBondContact O-CB 3.3Å; T209-A213 PolarHBondContact O-N 2.79Å
210M97.8Very high96.5Very high28 Ų2840.3 Ų40.314%0.13821%0.212CC..Hα-helixtrans-72.4-32.9-176.9-64.7-46.6-63.900112.4I199 F204 T206 E208 A213 N214 F247I199-M210 HydrophobicContact CG2-SD 4.34Å; F204-M210 HydrophobicContact CD1-CE 3.76Å; F204-M210 HydrophobicContact CD1-SD 4.03Å; F204-M210 HydrophobicContact CE1-CE 3.59Å; F204-M210 HydrophobicContact CE1-SD 4.16Å; F204-M210 HydrophobicContact CG-SD 4.24Å; F204-M210 HydrophobicContact CZ-CE 4.25Å; F204-M210 HydrophobicContact CZ-SD 4.47Å; F204-M210 WeakPolarHBondContact O-CG 3.22Å; F204-M210 VanDerWaalsContact O-SD 3.4Å; T206-M210 WeakPolarHBondContact O-CB 3.5Å; T206-M210 WeakPolarHBondContact O-CG 3.36Å; T206-M210 PolarHBondContact O-N 3.26Å; E208-M210 PolarHBondContact O-N 3.43Å; M210-A213 PolarHBondContact O-N 3.15Å; M210-N214 WeakPolarHBondContact O-CB 3.21Å; M210-N214 VanDerWaalsContact O-CG 3.3Å; M210-N214 PolarHBondContact O-N 2.89Å; M210-N214 PolarHBondContact O-ND2 2.85Å; M210-F247 HydrophobicContact CE-CD2 3.67Å; M210-F247 HydrophobicContact CE-CE2 4.11Å; M210-F247 HydrophobicContact CE-CG 4.45Å
211T98.1Very high96.4Very high60 Ų6042.6 Ų42.637%0.36822%0.224SC..Hα-helixtrans-66.7-44.1173.5-55.90000110.9I178 I207 E208 N214 S215I178-T211 HydrophobicContact CD1-CG2 3.72Å; I207-T211 VanDerWaalsContact O-CB 3.25Å; I207-T211 WeakPolarHBondContact O-CB 3.42Å; I207-T211 PolarHBondContact O-N 3.45Å; I207-T211 PolarHBondContact O-OG1 3.48Å; E208-T211 PolarHBondContact O-N 3.49Å; T211-N214 PolarHBondContact O-N 2.88Å; T211-S215 WeakPolarHBondContact O-CB 3.47Å; T211-S215 PolarHBondContact O-N 3.44Å; T211-S215 PolarHBondContact O-OG 2.95Å
212N98.8Very high96.5Very high3 Ų344.2 Ų44.22%0.01624%0.241CC..Hα-helixtrans-63.1-42.8173.5-80.8-34.6000112.1I147 V175 N177 E208 T209 N214 S215 A216I147-N212 HydrophobicContact CG2-CB 3.57Å; V175-N212 HydrophobicContact CG1-CB 4.31Å; N177-N212 PolarHBondContact O-ND2 3.36Å; E208-N212 WeakPolarHBondContact O-CB 3.45Å; E208-N212 PolarHBondContact O-N 2.95Å; E208-N212 PolarHBondContact O-ND2 2.99Å; T209-N212 PolarHBondContact O-N 3.18Å; N212-N214 PolarHBondContact O-N 3.02Å; N212-S215 PolarHBondContact O-N 3.4Å; N212-A216 WeakPolarHBondContact O-CB 3.33Å; N212-A216 PolarHBondContact O-N 2.68Å
213A98.5Very high96.9Very high0 Ų046.6 Ų46.60%025%0.253CS..Hα-helixtrans-61.7-43.6177.500000112I199 T209 M210 A216 K217 F247I199-A213 HydrophobicContact CD1-CB 3.67Å; I199-A213 HydrophobicContact CG1-CB 4.19Å; I199-A213 HydrophobicContact CG2-CB 3.95Å; T209-A213 VanDerWaalsContact O-CB 3.28Å; T209-A213 WeakPolarHBondContact O-CB 3.3Å; T209-A213 PolarHBondContact O-N 2.79Å; M210-A213 PolarHBondContact O-N 3.15Å; A213-A216 PolarHBondContact O-N 3.28Å; A213-K217 WeakPolarHBondContact O-CB 3.32Å; A213-K217 PolarHBondContact O-N 3.26Å; A213-F247 HydrophobicContact CB-CE2 3.89Å; A213-F247 HydrophobicContact CB-CZ 3.9Å
214N97.9Very high97.2Very high83 Ų8344 Ų4444%0.44424%0.238SC..Hα-helixtrans-65.1-40175.2-75.7-41.9000111.8M210 T211 N212 K217 E218 F247M210-N214 WeakPolarHBondContact O-CB 3.21Å; M210-N214 VanDerWaalsContact O-CG 3.3Å; M210-N214 PolarHBondContact O-N 2.89Å; M210-N214 PolarHBondContact O-ND2 2.85Å; T211-N214 PolarHBondContact O-N 2.88Å; N212-N214 PolarHBondContact O-N 3.02Å; N214-K217 PolarHBondContact O-N 3.23Å; N214-E218 WeakPolarHBondContact O-CB 3.44Å; N214-E218 PolarHBondContact O-N 3.36Å; N214-F247 WeakPolarHBondContact OD1-CE2 3.38Å
215S98.6Very high97.2Very high42 Ų4251.8 Ų51.829%0.29427%0.272SS..Hα-helixtrans-63-43175.7-56.40000111.8T211 N212 E218 W219T211-S215 WeakPolarHBondContact O-CB 3.47Å; T211-S215 PolarHBondContact O-N 3.44Å; T211-S215 PolarHBondContact O-OG 2.95Å; N212-S215 PolarHBondContact O-N 3.4Å; S215-E218 PolarHBondContact O-N 3.04Å; S215-W219 WeakPolarHBondContact O-CB 3.39Å; S215-W219 PolarHBondContact O-N 3.5Å
216A98.6Very high97.2Very high0 Ų051.5 Ų51.50%027%0.267CS..Hα-helixtrans-63.7-41.8174.400000112I147 I183 F197 N212 A213 W219 F220 F234I147-A216 HydrophobicContact CD1-CB 3.69Å; I183-A216 HydrophobicContact CD1-CB 4.2Å; F197-A216 HydrophobicContact CD1-CB 3.96Å; F197-A216 HydrophobicContact CE1-CB 3.81Å; F197-A216 HydrophobicContact CZ-CB 4.21Å; N212-A216 WeakPolarHBondContact O-CB 3.33Å; N212-A216 PolarHBondContact O-N 2.68Å; A213-A216 PolarHBondContact O-N 3.28Å; A216-W219 PolarHBondContact O-N 2.71Å; A216-F220 VanDerWaalsContact O-CB 3.3Å; A216-F220 WeakPolarHBondContact O-CB 3.25Å; A216-F220 PolarHBondContact O-N 2.86Å; A216-F234 HydrophobicContact CB-CE1 4.34Å
217K97.6Very high97.1Very high40 Ų4054.3 Ų54.317%0.17428%0.284CS..Hα-helixtrans-65-43.5176.7-177.5179.3174.6-176.30111.9A213 N214 F220 L221 V230 F234 F247A213-K217 WeakPolarHBondContact O-CB 3.32Å; A213-K217 PolarHBondContact O-N 3.26Å; N214-K217 PolarHBondContact O-N 3.23Å; K217-F220 PolarHBondContact O-N 3.12Å; K217-L221 HydrophobicContact CG-CD1 4.01Å; K217-L221 HydrophobicContact CG-CG 4.42Å; K217-L221 WeakPolarHBondContact O-CB 3.35Å; K217-L221 VanDerWaalsContact O-CG 3.29Å; K217-L221 WeakPolarHBondContact O-CG 3.31Å; K217-L221 PolarHBondContact O-N 3.38Å; K217-V230 HydrophobicContact CG-CG2 4.46Å; K217-F234 HydrophobicContact CB-CE1 4.22Å; K217-F234 HydrophobicContact CB-CZ 4.07Å; K217-F247 HydrophobicContact CB-CZ 4.09Å; K217-F247 HydrophobicContact CD-CE1 4.03Å; K217-F247 HydrophobicContact CD-CE2 4.26Å; K217-F247 HydrophobicContact CD-CZ 3.82Å; K217-F247 PolarHBondContact NZ-O 2.6Å
218E97.8Very high97Very high150 Ų15053.2 Ų53.270%0.70129%0.285SS*.Hα-helixtrans-60.5-49.9175.3-178.5178.7-179.400110.9N214 S215 F220 L221 G222N214-E218 WeakPolarHBondContact O-CB 3.44Å; N214-E218 PolarHBondContact O-N 3.36Å; S215-E218 PolarHBondContact O-N 3.04Å; E218-F220 VanDerWaalsContact C-N 3.32Å; E218-F220 PolarHBondContact O-N 3.02Å; E218-L221 PolarHBondContact O-N 3.03Å; E218-G222 PolarHBondContact O-N 3.36Å
219W98.6Very high96.8Very high57 Ų5752.9 Ų52.922%0.21628%0.283CS..Hα-helixtrans-56.4-46.2175171.189.7000111.9L187 V190 V195 F197 S215 A216 G222 H223L187-W219 HydrophobicContact CD1-CB 3.82Å; L187-W219 HydrophobicContact CD1-CD2 4.06Å; L187-W219 HydrophobicContact CD1-CG 3.67Å; L187-W219 HydrophobicContact CD2-CD2 3.77Å; L187-W219 HydrophobicContact CD2-CE3 3.7Å; L187-W219 HydrophobicContact CD2-CG 4.28Å; L187-W219 HydrophobicContact CD2-CH2 4.33Å; L187-W219 HydrophobicContact CD2-CZ2 4.39Å; L187-W219 HydrophobicContact CD2-CZ3 4.01Å; L187-W219 HydrophobicContact CG-CD2 4.33Å; L187-W219 HydrophobicContact CG-CG 4.42Å; V190-W219 HydrophobicContact CG2-CH2 3.9Å; V190-W219 HydrophobicContact CG2-CZ2 4.39Å; V195-W219 HydrophobicContact CG1-CH2 4.31Å; V195-W219 HydrophobicContact CG1-CZ3 4.06Å; F197-W219 HydrophobicContact CE2-CE3 4.36Å; F197-W219 AromaticContact CE2-CZ3 3.98Å; F197-W219 HydrophobicContact CE2-CZ3 3.98Å; F197-W219 HydrophobicContact CZ-CE3 4.02Å; F197-W219 AromaticContact CZ-CZ3 3.74Å; F197-W219 HydrophobicContact CZ-CZ3 3.74Å; S215-W219 WeakPolarHBondContact O-CB 3.39Å; S215-W219 PolarHBondContact O-N 3.5Å; A216-W219 PolarHBondContact O-N 2.71Å; W219-G222 WeakPolarHBondContact O-CA 3.31Å; W219-G222 PolarHBondContact O-N 3.47Å; W219-H223 AromaticContact CD1-CE1 3.81Å; W219-H223 AromaticContact CE2-CE1 3.68Å; W219-H223 AromaticContact CE2-ND1 3.97Å; W219-H223 AromaticContact NE1-CE1 3.38Å; W219-H223 PolarHBondContact NE1-CE1 3.37Å; W219-H223 PolarHBondContact O-N 3.03Å; W219-H223 PolarHBondContact O-ND1 3.5Å
220F98.3Very high96.6Very high0 Ų052.9 Ų52.90%028%0.283CS..Hα-helixtrans-62.2-47.9179.5172.3-99.6000111.5Y136 A216 K217 E218 G222 H223 A224 H229 V230 H233 F234Y136-F220 HydrophobicContact CD1-CE2 4.08Å; Y136-F220 HydrophobicContact CD1-CZ 4.24Å; Y136-F220 HydrophobicContact CE1-CE2 4.37Å; A216-F220 VanDerWaalsContact O-CB 3.3Å; A216-F220 WeakPolarHBondContact O-CB 3.25Å; A216-F220 PolarHBondContact O-N 2.86Å; K217-F220 PolarHBondContact O-N 3.12Å; E218-F220 VanDerWaalsContact C-N 3.32Å; E218-F220 PolarHBondContact O-N 3.02Å; F220-G222 PolarHBondContact O-N 3.29Å; F220-H223 PolarHBondContact O-N 3.28Å; F220-A224 HydrophobicContact CD1-CB 4.25Å; F220-A224 HydrophobicContact CE1-CB 3.72Å; F220-A224 HydrophobicContact CE2-CB 3.99Å; F220-A224 HydrophobicContact CZ-CB 3.57Å; F220-A224 WeakPolarHBondContact O-CB 3.46Å; F220-A224 PolarHBondContact O-N 3.46Å; F220-H229 HydrophobicContact CE1-CB 3.93Å; F220-H229 HydrophobicContact CZ-CB 3.82Å; F220-V230 HydrophobicContact CD1-CG2 4.39Å; F220-V230 HydrophobicContact CE1-CG2 4.33Å; F220-H233 HydrophobicContact CD2-CB 4.25Å; F220-H233 HydrophobicContact CE1-CB 4.39Å; F220-H233 HydrophobicContact CE2-CB 3.74Å; F220-H233 AromaticContact CE2-CD2 3.42Å; F220-H233 VanDerWaalsContact CE2-CD2 3.42Å; F220-H233 WeakPolarHBondContact CE2-CD2 3.42Å; F220-H233 AromaticContact CE2-CE1 3.94Å; F220-H233 AromaticContact CE2-CG 3.31Å; F220-H233 AromaticContact CE2-ND1 3.65Å; F220-H233 AromaticContact CE2-NE2 3.82Å; F220-H233 HydrophobicContact CZ-CB 3.81Å; F220-H233 AromaticContact CZ-CD2 3.29Å; F220-H233 WeakPolarHBondContact CZ-CD2 3.16Å; F220-H233 AromaticContact CZ-CG 3.54Å; F220-H233 AromaticContact CZ-NE2 3.98Å; F220-F234 HydrophobicContact CB-CE2 4.01Å; F220-F234 HydrophobicContact CB-CZ 4.11Å; F220-F234 AromaticContact CD1-CE2 3.81Å; F220-F234 HydrophobicContact CD1-CE2 3.81Å; F220-F234 HydrophobicContact CE1-CE2 4.45Å; F220-F234 AromaticContact CG-CE2 3.84Å; F220-F234 HydrophobicContact CG-CE2 3.84Å; F220-F234 HydrophobicContact CG-CZ 4.43Å
221L97.3Very high96.2Very high47 Ų4753.2 Ų53.225%0.24629%0.29CS..Hα-helixtrans-66.6-27.9177.5-68.8175.9000112.3K217 E218 H223 K225 N226 V230K217-L221 HydrophobicContact CG-CD1 4.01Å; K217-L221 HydrophobicContact CG-CG 4.42Å; K217-L221 WeakPolarHBondContact O-CB 3.35Å; K217-L221 VanDerWaalsContact O-CG 3.29Å; K217-L221 WeakPolarHBondContact O-CG 3.31Å; K217-L221 PolarHBondContact O-N 3.38Å; E218-L221 PolarHBondContact O-N 3.03Å; L221-H223 PolarHBondContact O-N 2.83Å; L221-K225 VanDerWaalsContact O-CA 3.31Å; L221-K225 WeakPolarHBondContact O-CA 3.09Å; L221-K225 PolarHBondContact O-N 3.11Å; L221-N226 WeakPolarHBondContact CD2-O 3.38Å; L221-V230 HydrophobicContact CD2-CG2 3.93Å; L221-V230 HydrophobicContact CG-CG2 4.43Å
222G97.9Very high95.9Very high37 Ų3754.7 Ų54.738%0.38129%0.292SS..Hα-helixtrans-56.3-28.9168.200000113.2E218 W219 F220 K225E218-G222 PolarHBondContact O-N 3.36Å; W219-G222 WeakPolarHBondContact O-CA 3.31Å; W219-G222 PolarHBondContact O-N 3.47Å; F220-G222 PolarHBondContact O-N 3.29Å; G222-K225 WeakPolarHBondContact O-CE 3.41Å; G222-K225 PolarHBondContact O-NZ 3.32Å
223H97.9Very high95.9Very high96 Ų9654.6 Ų54.644%0.44429%0.291SS..Hα-helixtrans-100.3-51.1177.8-64.378.8000112.6S192 W219 F220 L221 K225S192-H223 WeakPolarHBondContact OG-CB 3.49Å; W219-H223 AromaticContact CD1-CE1 3.81Å; W219-H223 AromaticContact CE2-CE1 3.68Å; W219-H223 AromaticContact CE2-ND1 3.97Å; W219-H223 AromaticContact NE1-CE1 3.38Å; W219-H223 PolarHBondContact NE1-CE1 3.37Å; W219-H223 PolarHBondContact O-N 3.03Å; W219-H223 PolarHBondContact O-ND1 3.5Å; F220-H223 PolarHBondContact O-N 3.28Å; L221-H223 PolarHBondContact O-N 2.83Å; H223-K225 VanDerWaalsContact C-N 3.33Å; H223-K225 PolarHBondContact O-N 2.87Å
224A96.6Very high95.9Very high10 Ų1054.6 Ų54.68%0.08329%0.291CS..Hα-helixtrans-75-20.9-174.300000113.5Y136 F220 N226 H229Y136-A224 HydrophobicContact CD1-CB 4.2Å; Y136-A224 HydrophobicContact CD2-CB 4.21Å; Y136-A224 HydrophobicContact CE1-CB 4.08Å; Y136-A224 HydrophobicContact CE2-CB 4.09Å; Y136-A224 HydrophobicContact CG-CB 4.27Å; F220-A224 HydrophobicContact CD1-CB 4.25Å; F220-A224 HydrophobicContact CE1-CB 3.72Å; F220-A224 HydrophobicContact CE2-CB 3.99Å; F220-A224 HydrophobicContact CZ-CB 3.57Å; F220-A224 WeakPolarHBondContact O-CB 3.46Å; F220-A224 PolarHBondContact O-N 3.46Å; A224-N226 PolarHBondContact O-N 3.08Å; A224-H229 HydrophobicContact CB-CB 4.27Å
225K95.3Very high95.9Very high167 Ų16750.6 Ų50.673%0.72627%0.27SS*.  trans55.62.7177.5-54.7-56.7-168.6-171.10116.7L221 G222 H223L221-K225 VanDerWaalsContact O-CA 3.31Å; L221-K225 WeakPolarHBondContact O-CA 3.09Å; L221-K225 PolarHBondContact O-N 3.11Å; G222-K225 WeakPolarHBondContact O-CE 3.41Å; G222-K225 PolarHBondContact O-NZ 3.32Å; H223-K225 VanDerWaalsContact C-N 3.33Å; H223-K225 PolarHBondContact O-N 2.87Å
226N94Very high95.8Very high76 Ų7648.6 Ų48.641%0.40626%0.256SS..  trans-135.5126.1179.8-170.4-19.4000111.4L221 A224 S228 H229L221-N226 WeakPolarHBondContact CD2-O 3.38Å; A224-N226 PolarHBondContact O-N 3.08Å; N226-S228 VanDerWaalsContact CG-OG 3.29Å; N226-S228 PolarHBondContact ND2-OG 3.18Å; N226-S228 PolarHBondContact O-N 2.94Å; N226-S228 PolarHBondContact OD1-N 3.38Å; N226-S228 PolarHBondContact OD1-OG 3.43Å; N226-H229 WeakPolarHBondContact O-CB 3.47Å; N226-H229 PolarHBondContact O-N 2.88Å
227V91.9Very high95.8Very high99 Ų9948.6 Ų48.660%0.626%0.256SS*.G310 helixtrans-63.5-27.8-179.173.70000113.3H229 V230V227-H229 PolarHBondContact O-N 2.67Å; V227-V230 HydrophobicContact CG2-CG2 4.41Å; V227-V230 WeakPolarHBondContact O-CB 3.5Å; V227-V230 VanDerWaalsContact O-CG2 3.27Å; V227-V230 WeakPolarHBondContact O-CG2 3.31Å; V227-V230 PolarHBondContact O-N 2.84Å; V227-V230 VanDerWaalsContact O-N 3.11Å
228S91Very high95.7Very high71 Ų7146.7 Ų46.750%0.49725%0.247SC..G310 helixtrans-64.8-21.1178.269.70000112.9N226 V230N226-S228 VanDerWaalsContact CG-OG 3.29Å; N226-S228 PolarHBondContact ND2-OG 3.18Å; N226-S228 PolarHBondContact O-N 2.94Å; N226-S228 PolarHBondContact OD1-N 3.38Å; N226-S228 PolarHBondContact OD1-OG 3.43Å; S228-V230 VanDerWaalsContact C-N 3.26Å; S228-V230 PolarHBondContact O-N 2.95Å
229H93.1Very high95.2Very high42 Ų4242.5 Ų42.519%0.19423%0.232CC..G310 helixtrans-74.4-14.5177.1-65.3-32.7000113.5Y136 F220 A224 N226 V227 A231 K232 H233Y136-H229 VanDerWaalsContact CB-CG 3.49Å; Y136-H229 AromaticContact CD2-CD2 3.7Å; Y136-H229 AromaticContact CD2-NE2 3.93Å; Y136-H229 HydrophobicContact CG-CB 4.45Å; F220-H229 HydrophobicContact CE1-CB 3.93Å; F220-H229 HydrophobicContact CZ-CB 3.82Å; A224-H229 HydrophobicContact CB-CB 4.27Å; N226-H229 WeakPolarHBondContact O-CB 3.47Å; N226-H229 PolarHBondContact O-N 2.88Å; V227-H229 PolarHBondContact O-N 2.67Å; H229-A231 PolarHBondContact O-N 3.33Å; H229-K232 PolarHBondContact O-N 3.29Å; H229-K232 VanDerWaalsContact O-N 3.07Å; H229-H233 PolarHBondContact O-CD2 3.2Å
230V92.4Very high94.9Very high2 Ų242 Ų421%0.01223%0.233CC..Hα-helixtrans-57.1-40.2176.3173.50000111K217 F220 L221 V227 S228 K232 H233 F234K217-V230 HydrophobicContact CG-CG2 4.46Å; F220-V230 HydrophobicContact CD1-CG2 4.39Å; F220-V230 HydrophobicContact CE1-CG2 4.33Å; L221-V230 HydrophobicContact CD2-CG2 3.93Å; L221-V230 HydrophobicContact CG-CG2 4.43Å; V227-V230 HydrophobicContact CG2-CG2 4.41Å; V227-V230 WeakPolarHBondContact O-CB 3.5Å; V227-V230 VanDerWaalsContact O-CG2 3.27Å; V227-V230 WeakPolarHBondContact O-CG2 3.31Å; V227-V230 PolarHBondContact O-N 2.84Å; V227-V230 VanDerWaalsContact O-N 3.11Å; S228-V230 VanDerWaalsContact C-N 3.26Å; S228-V230 PolarHBondContact O-N 2.95Å; V230-K232 PolarHBondContact O-N 3.03Å; V230-H233 PolarHBondContact O-N 2.77Å; V230-F234 HydrophobicContact CB-CD2 4.35Å; V230-F234 HydrophobicContact CG1-CB 4.03Å; V230-F234 HydrophobicContact CG1-CD2 3.74Å; V230-F234 HydrophobicContact CG1-CG 4.02Å; V230-F234 PolarHBondContact O-N 3.16Å
231A89.9Confident94.6Very high35 Ų3544.3 Ų44.329%0.28925%0.253SS..Hα-helixtrans-61.1-20.1179.700000114.1H229 N253H229-A231 PolarHBondContact O-N 3.33Å; A231-N253 PolarHBondContact O-ND2 3.42Å
232K92.9Very high94.5Very high92 Ų9247 Ų4740%0.427%0.271SS..Hα-helixtrans-91.3-14.4176.8-64.3-174.2177-172.10113.7W133 H229 V230W133-K232 PolarHBondContact NE1-O 3.3Å; H229-K232 PolarHBondContact O-N 3.29Å; H229-K232 VanDerWaalsContact O-N 3.07Å; V230-K232 PolarHBondContact O-N 3.03Å
233H97.5Very high94.4Very high0 Ų048 Ų480%027%0.266CS..Hα-helixtrans-125-4.3-170-72.9-91.1000113.6G135 Y136 S192 V195 F197 F220 H229 V230G135-H233 VanDerWaalsContact CA-NE2 3.28Å; G135-H233 WeakPolarHBondContact CA-NE2 3.21Å; Y136-H233 AromaticContact CD1-NE2 3.5Å; Y136-H233 PolarHBondContact N-NE2 3.1Å; S192-H233 PolarHBondContact O-CE1 3.43Å; S192-H233 VanDerWaalsContact O-CE1 3.28Å; V195-H233 PolarHBondContact O-ND1 2.98Å; F197-H233 PolarHBondContact N-O 3.05Å; F220-H233 HydrophobicContact CD2-CB 4.25Å; F220-H233 HydrophobicContact CE1-CB 4.39Å; F220-H233 HydrophobicContact CE2-CB 3.74Å; F220-H233 AromaticContact CE2-CD2 3.42Å; F220-H233 VanDerWaalsContact CE2-CD2 3.42Å; F220-H233 WeakPolarHBondContact CE2-CD2 3.42Å; F220-H233 AromaticContact CE2-CE1 3.94Å; F220-H233 AromaticContact CE2-CG 3.31Å; F220-H233 AromaticContact CE2-ND1 3.65Å; F220-H233 AromaticContact CE2-NE2 3.82Å; F220-H233 HydrophobicContact CZ-CB 3.81Å; F220-H233 AromaticContact CZ-CD2 3.29Å; F220-H233 WeakPolarHBondContact CZ-CD2 3.16Å; F220-H233 AromaticContact CZ-CG 3.54Å; F220-H233 AromaticContact CZ-NE2 3.98Å; H229-H233 PolarHBondContact O-CD2 3.2Å; V230-H233 PolarHBondContact O-N 2.77Å
234F97.8Very high94.2Very high0 Ų043.4 Ų43.40%025%0.245CC..EExtended strand (participates in β ladder)trans-133.3129.8-179.7-68.1-100.7000110.7F197 I199 A216 K217 F220 V230 F247 I249F197-F234 HydrophobicContact CB-CD1 3.61Å; F197-F234 HydrophobicContact CB-CE1 3.6Å; F197-F234 HydrophobicContact CB-CG 4.21Å; F197-F234 HydrophobicContact CB-CZ 4.19Å; F197-F234 HydrophobicContact CD2-CD1 4.35Å; F197-F234 HydrophobicContact CD2-CD2 4.43Å; F197-F234 AromaticContact CD2-CE1 3.72Å; F197-F234 HydrophobicContact CD2-CE1 3.72Å; F197-F234 AromaticContact CD2-CE2 3.81Å; F197-F234 HydrophobicContact CD2-CE2 3.81Å; F197-F234 AromaticContact CD2-CZ 3.4Å; F197-F234 HydrophobicContact CD2-CZ 3.4Å; F197-F234 VanDerWaalsContact CD2-CZ 3.4Å; F197-F234 HydrophobicContact CE2-CE2 4.42Å; F197-F234 AromaticContact CE2-CZ 3.96Å; F197-F234 HydrophobicContact CE2-CZ 3.96Å; F197-F234 HydrophobicContact CG-CD1 4.24Å; F197-F234 AromaticContact CG-CE1 3.73Å; F197-F234 HydrophobicContact CG-CE1 3.73Å; F197-F234 AromaticContact CG-CZ 3.92Å; F197-F234 HydrophobicContact CG-CZ 3.92Å; F197-F234 WeakPolarHBondContact O-CA 3.29Å; I199-F234 HydrophobicContact CD1-CD1 4.13Å; I199-F234 HydrophobicContact CD1-CE1 4.46Å; I199-F234 HydrophobicContact CG1-CD1 4.29Å; A216-F234 HydrophobicContact CB-CE1 4.34Å; K217-F234 HydrophobicContact CB-CE1 4.22Å; K217-F234 HydrophobicContact CB-CZ 4.07Å; F220-F234 HydrophobicContact CB-CE2 4.01Å; F220-F234 HydrophobicContact CB-CZ 4.11Å; F220-F234 AromaticContact CD1-CE2 3.81Å; F220-F234 HydrophobicContact CD1-CE2 3.81Å; F220-F234 HydrophobicContact CE1-CE2 4.45Å; F220-F234 AromaticContact CG-CE2 3.84Å; F220-F234 HydrophobicContact CG-CE2 3.84Å; F220-F234 HydrophobicContact CG-CZ 4.43Å; V230-F234 HydrophobicContact CB-CD2 4.35Å; V230-F234 HydrophobicContact CG1-CB 4.03Å; V230-F234 HydrophobicContact CG1-CD2 3.74Å; V230-F234 HydrophobicContact CG1-CG 4.02Å; V230-F234 PolarHBondContact O-N 3.16Å; F234-F247 HydrophobicContact CD1-CE1 4.05Å; F234-F247 HydrophobicContact CD1-CZ 4.46Å; F234-I249 HydrophobicContact CB-CD1 4.03Å; F234-I249 HydrophobicContact CB-CG1 3.75Å
235V98.3Very high93.9Very high0 Ų045.7 Ų45.70%026%0.259CS..EExtended strand (participates in β ladder)trans-127.1158.9170-58.80000109.9F124 L196 F197 I198 I199 N253 F255 L273F124-V235 HydrophobicContact CE1-CG1 4.43Å; F124-V235 HydrophobicContact CE2-CG1 3.88Å; F124-V235 HydrophobicContact CZ-CG1 3.6Å; L196-V235 HydrophobicContact CD1-CG1 4.24Å; F197-V235 PolarHBondContact O-N 3.33Å; I198-V235 HydrophobicContact CB-CG2 4.16Å; I198-V235 HydrophobicContact CG1-CG2 3.67Å; I198-V235 HydrophobicContact CG2-CG2 4.26Å; I199-V235 PolarHBondContact N-O 2.66Å; V235-N253 HydrophobicContact CB-CB 4.36Å; V235-N253 WeakPolarHBondContact CB-O 3.5Å; V235-N253 HydrophobicContact CG1-CB 3.95Å; V235-F255 HydrophobicContact CB-CE2 4.06Å; V235-F255 HydrophobicContact CG1-CE2 4.35Å; V235-F255 HydrophobicContact CG2-CE2 4.42Å; V235-L273 HydrophobicContact CG2-CD2 4.21Å
236A98.2Very high93.7Very high0 Ų045 Ų450%026%0.256CS..EExtended strand (participates in β ladder)trans-122.6138.1-176.300000111.8I199 F204 V244 I249 N253 M254 F255I199-A236 WeakPolarHBondContact O-CA 3.33Å; F204-A236 HydrophobicContact CE2-CB 3.75Å; F204-A236 HydrophobicContact CZ-CB 4.12Å; A236-V244 HydrophobicContact CB-CB 4.33Å; A236-V244 HydrophobicContact CB-CG1 3.58Å; A236-V244 HydrophobicContact CB-CG2 3.7Å; A236-I249 HydrophobicContact CB-CD1 3.93Å; A236-I249 HydrophobicContact CB-CG2 4.17Å; A236-N253 PolarHBondContact N-O 2.81Å; A236-M254 HydrophobicContact CB-CG 4.34Å; A236-M254 CarbonylContact O-C 3.57Å; A236-M254 WeakPolarHBondContact O-CA 3.44Å; A236-F255 PolarHBondContact O-N 3.46Å
237L97.8Very high93.6Very high0 Ų042 Ų420%024%0.24CC..EExtended strand (participates in β ladder)trans-111.4102.9168.2-38.6177.1000106.4I198 I199 A200 S201 F255 A270 I271 L273I198-L237 HydrophobicContact CG2-CD1 3.45Å; I198-L237 VanDerWaalsContact CG2-CD1 3.45Å; I198-L237 HydrophobicContact CG2-CD2 3.96Å; I198-L237 HydrophobicContact CG2-CG 3.56Å; I199-L237 PolarHBondContact O-N 2.69Å; A200-L237 HydrophobicContact CB-CB 4.47Å; A200-L237 HydrophobicContact CB-CD1 3.9Å; A200-L237 HydrophobicContact CB-CG 4.41Å; S201-L237 CarbonylContact C-O 3.48Å; S201-L237 PolarHBondContact N-O 3.11Å; S201-L237 VanDerWaalsContact O-O 3.13Å; L237-F255 WeakPolarHBondContact CA-O 3.44Å; L237-F255 HydrophobicContact CD2-CB 3.77Å; L237-F255 HydrophobicContact CD2-CD2 3.86Å; L237-F255 HydrophobicContact CD2-CG 4.06Å; L237-A270 WeakPolarHBondContact CD1-O 3.49Å; L237-I271 HydrophobicContact CB-CD1 4.01Å; L237-I271 HydrophobicContact CD1-CD1 4.24Å; L237-L273 HydrophobicContact CD1-CB 4.32Å; L237-L273 HydrophobicContact CD2-CB 3.93Å; L237-L273 HydrophobicContact CD2-CD2 3.72Å; L237-L273 HydrophobicContact CD2-CG 4.48Å
238S94.5Very high93.5Very high0 Ų039.1 Ų39.10%023%0.23CC..EExtended strand (participates in β ladder)trans-159.5166.3-169-160.60000113.5S201 K202 N240 F255 E256S201-S238 WeakPolarHBondContact O-CA 3.49Å; S201-S238 VanDerWaalsContact O-CB 3.29Å; S201-S238 WeakPolarHBondContact O-CB 3.49Å; S201-S238 PolarHBondContact O-OG 3.31Å; K202-S238 PolarHBondContact O-OG 3.5Å; K202-S238 VanDerWaalsContact O-OG 3.13Å; S238-N240 PolarHBondContact OG-N 3.06Å; S238-F255 PolarHBondContact N-O 3.25Å; S238-E256 WeakPolarHBondContact O-CA 3.24Å
239T88.1Confident93.6Very high61 Ų6135.9 Ų35.937%0.37421%0.208SC..SBendtrans-106.72.3169.679.40000111.7K202 F257K202-T239 HydrophobicContact CG-CG2 3.93Å; K202-T239 PolarHBondContact O-N 3.18Å; K202-T239 VanDerWaalsContact O-N 3.15Å; K202-T239 PolarHBondContact O-OG1 3.08Å; K202-T239 VanDerWaalsContact O-OG1 3.13Å; T239-F257 HydrophobicContact CG2-CD1 4.3Å; T239-F257 HydrophobicContact CG2-CD2 3.85Å; T239-F257 HydrophobicContact CG2-CE1 4.36Å; T239-F257 HydrophobicContact CG2-CE2 3.93Å; T239-F257 HydrophobicContact CG2-CG 4.08Å; T239-F257 HydrophobicContact CG2-CZ 4.21Å; T239-F257 WeakPolarHBondContact CG2-O 3.23Å
240N92.4Very high93.3Very high46 Ų4634.8 Ų34.825%0.24621%0.205CC..  trans-118.179.1-171.6-171.1-9.8000112.1T203 F204 S238 T242 E243 V244T203-N240 PolarHBondContact O-ND2 3.21Å; F204-N240 HydrophobicContact CB-CB 4.22Å; S238-N240 PolarHBondContact OG-N 3.06Å; N240-T242 PolarHBondContact O-N 3.46Å; N240-T242 VanDerWaalsContact O-N 3.17Å; N240-T242 PolarHBondContact OD1-N 3.45Å; N240-E243 VanDerWaalsContact ND2-CG 3.32Å; N240-E243 WeakPolarHBondContact ND2-CG 3.44Å; N240-E243 PolarHBondContact O-N 3.36Å; N240-E243 PolarHBondContact OD1-N 2.94Å; N240-V244 WeakPolarHBondContact O-CG2 3.28Å; N240-V244 PolarHBondContact O-N 3.43Å; N240-V244 VanDerWaalsContact O-N 3.13Å
241A92.6Very high93.1Very high50 Ų5038.8 Ų38.841%0.41323%0.232SC..Hα-helixtrans-54.1-36.2-18000000113.4V244 C245 M254A241-V244 PolarHBondContact O-N 3.23Å; A241-C245 WeakPolarHBondContact O-CB 3.1Å; A241-C245 PolarHBondContact O-N 2.93Å; A241-C245 PolarHBondContact O-SG 2.85Å; A241-M254 VanDerWaalsContact CA-SD 3.55Å; A241-M254 HydrophobicContact CB-CE 3.97Å; A241-M254 HydrophobicContact CB-SD 3.96Å
242T94.5Very high93.2Very high103 Ų10343 Ų4363%0.63225%0.246SC*.Hα-helixtrans-63.9-50.1-177.4-59.20000111.6N240 C245 K246N240-T242 PolarHBondContact O-N 3.46Å; N240-T242 VanDerWaalsContact O-N 3.17Å; N240-T242 PolarHBondContact OD1-N 3.45Å; T242-C245 PolarHBondContact O-N 3.46Å; T242-K246 WeakPolarHBondContact O-CB 3.41Å; T242-K246 PolarHBondContact O-N 3.04Å
243E94.8Very high93.3Very high57 Ų5739.1 Ų39.127%0.26623%0.229SC..Hα-helixtrans-71.8-30.3179.1-69.2-62.1133.700112.1F204 T205 N240 K246 F247F204-E243 HydrophobicContact CB-CB 4.04Å; F204-E243 HydrophobicContact CD1-CB 3.99Å; F204-E243 HydrophobicContact CG-CB 4.49Å; T205-E243 HydrophobicContact CG2-CG 4.24Å; N240-E243 VanDerWaalsContact ND2-CG 3.32Å; N240-E243 WeakPolarHBondContact ND2-CG 3.44Å; N240-E243 PolarHBondContact O-N 3.36Å; N240-E243 PolarHBondContact OD1-N 2.94Å; E243-K246 PolarHBondContact O-N 3.14Å; E243-K246 IonicContact OE1-NZ 2.96Å; E243-K246 PolarHBondContact OE1-NZ 3.28Å; E243-K246 VanDerWaalsContact OE1-NZ 3.14Å; E243-K246 IonicContact OE2-NZ 3.29Å; E243-K246 PolarHBondContact OE2-NZ 3.46Å; E243-F247 PolarHBondContact O-N 2.8Å
244V93.6Very high93.2Very high0 Ų040.6 Ų40.60%024%0.236CC..Hα-helixtrans-61.9-50.1172.9171.30000111.3F204 A236 N240 A241 K246 F247 G248 I249 M254F204-V244 HydrophobicContact CB-CG2 4.47Å; F204-V244 HydrophobicContact CD1-CG2 3.92Å; F204-V244 HydrophobicContact CD2-CG2 3.7Å; F204-V244 HydrophobicContact CE1-CB 4.41Å; F204-V244 HydrophobicContact CE1-CG2 4Å; F204-V244 HydrophobicContact CE2-CG2 3.8Å; F204-V244 HydrophobicContact CG-CG2 3.76Å; F204-V244 HydrophobicContact CZ-CG2 3.95Å; A236-V244 HydrophobicContact CB-CB 4.33Å; A236-V244 HydrophobicContact CB-CG1 3.58Å; A236-V244 HydrophobicContact CB-CG2 3.7Å; N240-V244 WeakPolarHBondContact O-CG2 3.28Å; N240-V244 PolarHBondContact O-N 3.43Å; N240-V244 VanDerWaalsContact O-N 3.13Å; A241-V244 PolarHBondContact O-N 3.23Å; V244-K246 VanDerWaalsContact C-N 3.32Å; V244-K246 PolarHBondContact O-N 3.48Å; V244-F247 WeakPolarHBondContact O-CB 3.21Å; V244-F247 PolarHBondContact O-N 2.95Å; V244-G248 PolarHBondContact O-N 3.48Å; V244-I249 HydrophobicContact CG1-CB 3.8Å; V244-I249 HydrophobicContact CG1-CG2 3.82Å; V244-I249 PolarHBondContact O-N 3.37Å; V244-M254 HydrophobicContact CB-SD 4.15Å; V244-M254 HydrophobicContact CG1-CB 4.26Å; V244-M254 HydrophobicContact CG1-CG 4.24Å; V244-M254 HydrophobicContact CG1-SD 4.29Å; V244-M254 HydrophobicContact CG2-CG 4.28Å; V244-M254 HydrophobicContact CG2-SD 3.92Å
245C91.9Very high93.2Very high58 Ų5840.6 Ų40.639%0.39224%0.236SC..Hα-helixtrans-63.9-39177.7-67.70000111.8A241 T242 F247 G248A241-C245 WeakPolarHBondContact O-CB 3.1Å; A241-C245 PolarHBondContact O-N 2.93Å; A241-C245 PolarHBondContact O-SG 2.85Å; T242-C245 PolarHBondContact O-N 3.46Å; C245-F247 VanDerWaalsContact C-N 3.28Å; C245-F247 PolarHBondContact O-N 2.86Å; C245-G248 WeakPolarHBondContact O-CA 3.28Å; C245-G248 PolarHBondContact O-N 2.95Å
246K91.4Very high93.1Very high152 Ų15245.1 Ų45.166%0.66126%0.257SS*.Hα-helixtrans-63-33175.6-177.8-179.7165.4-1590112.8T242 E243 V244 G248T242-K246 WeakPolarHBondContact O-CB 3.41Å; T242-K246 PolarHBondContact O-N 3.04Å; E243-K246 PolarHBondContact O-N 3.14Å; E243-K246 IonicContact OE1-NZ 2.96Å; E243-K246 PolarHBondContact OE1-NZ 3.28Å; E243-K246 VanDerWaalsContact OE1-NZ 3.14Å; E243-K246 IonicContact OE2-NZ 3.29Å; E243-K246 PolarHBondContact OE2-NZ 3.46Å; V244-K246 VanDerWaalsContact C-N 3.32Å; V244-K246 PolarHBondContact O-N 3.48Å; K246-G248 PolarHBondContact O-N 3.05Å
247F91.8Very high92.8Very high14 Ų1445.3 Ų45.36%0.06126%0.258CS..Hα-helixtrans-69.1-19.6171.2-175.4-89.7000112.5F204 M210 A213 N214 K217 F234 E243 V244 C245 I249F204-F247 HydrophobicContact CE1-CB 3.7Å; F204-F247 HydrophobicContact CE1-CD2 4.47Å; F204-F247 HydrophobicContact CE1-CG 4.05Å; F204-F247 HydrophobicContact CZ-CB 4.44Å; F204-F247 HydrophobicContact CZ-CG 4.45Å; M210-F247 HydrophobicContact CE-CD2 3.67Å; M210-F247 HydrophobicContact CE-CE2 4.11Å; M210-F247 HydrophobicContact CE-CG 4.45Å; A213-F247 HydrophobicContact CB-CE2 3.89Å; A213-F247 HydrophobicContact CB-CZ 3.9Å; N214-F247 WeakPolarHBondContact OD1-CE2 3.38Å; K217-F247 HydrophobicContact CB-CZ 4.09Å; K217-F247 HydrophobicContact CD-CE1 4.03Å; K217-F247 HydrophobicContact CD-CE2 4.26Å; K217-F247 HydrophobicContact CD-CZ 3.82Å; K217-F247 PolarHBondContact NZ-O 2.6Å; F234-F247 HydrophobicContact CD1-CE1 4.05Å; F234-F247 HydrophobicContact CD1-CZ 4.46Å; E243-F247 PolarHBondContact O-N 2.8Å; V244-F247 WeakPolarHBondContact O-CB 3.21Å; V244-F247 PolarHBondContact O-N 2.95Å; C245-F247 VanDerWaalsContact C-N 3.28Å; C245-F247 PolarHBondContact O-N 2.86Å; F247-I249 HydrophobicContact CD1-CD1 3.63Å; F247-I249 HydrophobicContact CD1-CG1 3.85Å; F247-I249 HydrophobicContact CE1-CD1 3.97Å; F247-I249 HydrophobicContact CE1-CG1 4.3Å
248G89.5Confident92.7Very high39 Ų3947.5 Ų47.540%0.40227%0.267SS..THydrogen-bonded Turntrans96.418.1178.300000114.2V244 C245 K246V244-G248 PolarHBondContact O-N 3.48Å; C245-G248 WeakPolarHBondContact O-CA 3.28Å; C245-G248 PolarHBondContact O-N 2.95Å; K246-G248 PolarHBondContact O-N 3.05Å
249I92.7Very high92.7Very high3 Ų351.3 Ų51.32%0.01529%0.287CS..  trans-85.5134.4168.7-70.7161.4000108.2I199 F204 F234 A236 V244 F247 N253I199-I249 HydrophobicContact CG1-CD1 4.19Å; F204-I249 HydrophobicContact CZ-CD1 4.11Å; F234-I249 HydrophobicContact CB-CD1 4.03Å; F234-I249 HydrophobicContact CB-CG1 3.75Å; A236-I249 HydrophobicContact CB-CD1 3.93Å; A236-I249 HydrophobicContact CB-CG2 4.17Å; V244-I249 HydrophobicContact CG1-CB 3.8Å; V244-I249 HydrophobicContact CG1-CG2 3.82Å; V244-I249 PolarHBondContact O-N 3.37Å; F247-I249 HydrophobicContact CD1-CD1 3.63Å; F247-I249 HydrophobicContact CD1-CG1 3.85Å; F247-I249 HydrophobicContact CE1-CD1 3.97Å; F247-I249 HydrophobicContact CE1-CG1 4.3Å; I249-N253 HydrophobicContact CG2-CB 3.8Å
250A87.2Confident93.1Very high18 Ų1848.9 Ų48.915%0.14927%0.271CS..  trans-64.9141.8179.400000110.6E252 N253A250-E252 VanDerWaalsContact CB-CD 3.43Å; A250-E252 HydrophobicContact CB-CG 4.21Å; A250-E252 WeakPolarHBondContact CB-OE1 3.4Å; A250-E252 WeakPolarHBondContact CB-OE2 3.43Å; A250-E252 PolarHBondContact O-N 2.78Å; A250-N253 WeakPolarHBondContact O-CA 3.47Å; A250-N253 WeakPolarHBondContact O-CB 3.46Å; A250-N253 PolarHBondContact O-N 2.92Å
251P88.1Confident93.3Very high87 Ų8746.7 Ų46.757%0.56526%0.259SS*.G310 helixtrans-53.7-37.9-179.1-24.631.3000113.9N253 M254P251-N253 PolarHBondContact O-N 3.21Å; P251-M254 WeakPolarHBondContact O-CB 3.48Å; P251-M254 PolarHBondContact O-N 2.97Å; P251-M254 VanDerWaalsContact O-N 3.1Å
252E92.1Very high93.3Very high124 Ų12445.3 Ų45.358%0.57925%0.25SC*.G310 helixtrans-65.9-17.2176.764.5-89.5-151.900113.7H120 A250 M254H120-E252 PolarHBondContact CE1-O 3.04Å; H120-E252 PolarHBondContact NE2-O 3.11Å; H120-E252 VanDerWaalsContact NE2-O 3.07Å; A250-E252 VanDerWaalsContact CB-CD 3.43Å; A250-E252 HydrophobicContact CB-CG 4.21Å; A250-E252 WeakPolarHBondContact CB-OE1 3.4Å; A250-E252 WeakPolarHBondContact CB-OE2 3.43Å; A250-E252 PolarHBondContact O-N 2.78Å; E252-M254 VanDerWaalsContact C-N 3.33Å
253N94.1Very high93.3Very high10 Ų1041.8 Ų41.85%0.05323%0.234CC..G310 helixtrans-96.110.9176-73.5-5.9000112.3A231 V235 A236 I249 A250 P251A231-N253 PolarHBondContact O-ND2 3.42Å; V235-N253 HydrophobicContact CB-CB 4.36Å; V235-N253 WeakPolarHBondContact CB-O 3.5Å; V235-N253 HydrophobicContact CG1-CB 3.95Å; A236-N253 PolarHBondContact N-O 2.81Å; I249-N253 HydrophobicContact CG2-CB 3.8Å; A250-N253 WeakPolarHBondContact O-CA 3.47Å; A250-N253 WeakPolarHBondContact O-CB 3.46Å; A250-N253 PolarHBondContact O-N 2.92Å; P251-N253 PolarHBondContact O-N 3.21Å
254M96.4Very high93.5Very high31 Ų3139.2 Ų39.215%0.15322%0.222CC..EExtended strand (participates in β ladder)trans-95.6128.1172-166.6-176.580.500110.4A236 A241 V244 P251 E252 E256A236-M254 HydrophobicContact CB-CG 4.34Å; A236-M254 CarbonylContact O-C 3.57Å; A236-M254 WeakPolarHBondContact O-CA 3.44Å; A241-M254 VanDerWaalsContact CA-SD 3.55Å; A241-M254 HydrophobicContact CB-CE 3.97Å; A241-M254 HydrophobicContact CB-SD 3.96Å; V244-M254 HydrophobicContact CB-SD 4.15Å; V244-M254 HydrophobicContact CG1-CB 4.26Å; V244-M254 HydrophobicContact CG1-CG 4.24Å; V244-M254 HydrophobicContact CG1-SD 4.29Å; V244-M254 HydrophobicContact CG2-CG 4.28Å; V244-M254 HydrophobicContact CG2-SD 3.92Å; P251-M254 WeakPolarHBondContact O-CB 3.48Å; P251-M254 PolarHBondContact O-N 2.97Å; P251-M254 VanDerWaalsContact O-N 3.1Å; E252-M254 VanDerWaalsContact C-N 3.33Å; M254-E256 HydrophobicContact CE-CB 4.46Å
255F98.1Very high93.7Very high0 Ų039.4 Ų39.40%022%0.222CC..EExtended strand (participates in β ladder)trans-106.4107.6174.4-58.9-95.4000108.2H120 M121 F124 V235 A236 L237 S238 A270 L273H120-F255 HydrophobicContact CB-CE1 4.47Å; H120-F255 AromaticContact CD2-CE1 3.78Å; H120-F255 AromaticContact CE1-CD1 3.94Å; H120-F255 AromaticContact CE1-CE1 3.66Å; H120-F255 AromaticContact CE1-CZ 3.96Å; H120-F255 AromaticContact CG-CE1 3.75Å; H120-F255 AromaticContact ND1-CD1 3.66Å; H120-F255 AromaticContact ND1-CE1 3.68Å; H120-F255 AromaticContact NE2-CE1 3.73Å; H120-F255 AromaticContact NE2-CZ 3.91Å; M121-F255 HydrophobicContact CG-CD1 3.81Å; M121-F255 HydrophobicContact CG-CE1 4.29Å; F124-F255 HydrophobicContact CB-CE1 3.95Å; F124-F255 HydrophobicContact CB-CZ 3.69Å; F124-F255 AromaticContact CD1-CZ 3.89Å; F124-F255 HydrophobicContact CD1-CZ 3.89Å; F124-F255 AromaticContact CD2-CZ 3.94Å; F124-F255 HydrophobicContact CD2-CZ 3.94Å; F124-F255 HydrophobicContact CG-CE1 4.29Å; F124-F255 HydrophobicContact CG-CE2 4.45Å; F124-F255 AromaticContact CG-CZ 3.55Å; F124-F255 HydrophobicContact CG-CZ 3.55Å; V235-F255 HydrophobicContact CB-CE2 4.06Å; V235-F255 HydrophobicContact CG1-CE2 4.35Å; V235-F255 HydrophobicContact CG2-CE2 4.42Å; A236-F255 PolarHBondContact O-N 3.46Å; L237-F255 WeakPolarHBondContact CA-O 3.44Å; L237-F255 HydrophobicContact CD2-CB 3.77Å; L237-F255 HydrophobicContact CD2-CD2 3.86Å; L237-F255 HydrophobicContact CD2-CG 4.06Å; S238-F255 PolarHBondContact N-O 3.25Å; F255-A270 HydrophobicContact CB-CB 3.65Å; F255-A270 WeakPolarHBondContact O-CB 3.44Å; F255-L273 HydrophobicContact CD2-CD2 3.82Å; F255-L273 HydrophobicContact CE1-CD2 4.41Å; F255-L273 HydrophobicContact CE2-CD2 3.7Å; F255-L273 HydrophobicContact CG-CD2 4.26Å; F255-L273 HydrophobicContact CZ-CD2 4.02Å
256E95.5Very high94Very high94 Ų9436.7 Ų36.744%0.43920%0.204SC..EExtended strand (participates in β ladder)trans-74.2151.4-174-168.2177.3173.100112.3V117 S238 M254V117-E256 WeakPolarHBondContact CG1-O 3.44Å; V117-E256 HydrophobicContact CG2-CB 4.34Å; V117-E256 WeakPolarHBondContact CG2-O 3.18Å; S238-E256 WeakPolarHBondContact O-CA 3.24Å; M254-E256 HydrophobicContact CE-CB 4.46Å
257F92.8Very high94.3Very high4 Ų429.6 Ų29.62%0.01817%0.173CC..  trans-146-176.9160.462.8-84.7000109.3K202 T239 V261 A270 I271K202-F257 HydrophobicContact CB-CE2 3.78Å; K202-F257 HydrophobicContact CB-CZ 3.58Å; K202-F257 HydrophobicContact CD-CE2 4.01Å; K202-F257 HydrophobicContact CG-CE2 3.6Å; K202-F257 HydrophobicContact CG-CZ 3.88Å; T239-F257 HydrophobicContact CG2-CD1 4.3Å; T239-F257 HydrophobicContact CG2-CD2 3.85Å; T239-F257 HydrophobicContact CG2-CE1 4.36Å; T239-F257 HydrophobicContact CG2-CE2 3.93Å; T239-F257 HydrophobicContact CG2-CG 4.08Å; T239-F257 HydrophobicContact CG2-CZ 4.21Å; T239-F257 WeakPolarHBondContact CG2-O 3.23Å; F257-V261 HydrophobicContact CD2-CB 4.07Å; F257-V261 HydrophobicContact CD2-CG1 4.34Å; F257-A270 HydrophobicContact CD1-CB 4.29Å; F257-I271 HydrophobicContact CE1-CD1 3.92Å; F257-I271 HydrophobicContact CE1-CG1 4.17Å; F257-I271 HydrophobicContact CZ-CD1 4.04Å; F257-I271 HydrophobicContact CZ-CG1 4.23Å
258W95.4Very high94.7Very high47 Ų4728.9 Ų28.918%0.17817%0.17CC..  trans-118.5166.4-166-54-81.9000114L95 G113 V114 V117 W260 V261L95-W258 HydrophobicContact CD2-CE3 3.99Å; L95-W258 HydrophobicContact CD2-CZ3 3.6Å; G113-W258 VanDerWaalsContact C-CZ2 3.46Å; V114-W258 VanDerWaalsContact CA-CH2 3.46Å; V114-W258 HydrophobicContact CB-CH2 4.25Å; V114-W258 HydrophobicContact CG2-CE3 4.5Å; V114-W258 HydrophobicContact CG2-CH2 3.82Å; V114-W258 HydrophobicContact CG2-CZ3 3.73Å; V117-W258 HydrophobicContact CB-CH2 4.5Å; V117-W258 HydrophobicContact CG2-CH2 4.06Å; V117-W258 HydrophobicContact CG2-CZ2 4.3Å; W258-W260 VanDerWaalsContact C-N 3.31Å; W258-W260 HydrophobicContact CB-CD2 3.75Å; W258-W260 HydrophobicContact CB-CE3 4.49Å; W258-W260 HydrophobicContact CB-CG 4Å; W258-W260 HydrophobicContact CB-CZ2 3.77Å; W258-W260 AromaticContact CD2-CE2 3.83Å; W258-W260 AromaticContact CD2-CH2 3.85Å; W258-W260 HydrophobicContact CD2-CH2 3.85Å; W258-W260 AromaticContact CD2-CZ2 3.27Å; W258-W260 HydrophobicContact CD2-CZ2 3.27Å; W258-W260 AromaticContact CE3-CE2 3.95Å; W258-W260 AromaticContact CE3-CH2 3.15Å; W258-W260 HydrophobicContact CE3-CH2 3.15Å; W258-W260 AromaticContact CE3-CZ2 3.12Å; W258-W260 HydrophobicContact CE3-CZ2 3.12Å; W258-W260 AromaticContact CE3-CZ3 3.98Å; W258-W260 HydrophobicContact CE3-CZ3 3.98Å; W258-W260 HydrophobicContact CG-CD2 4.46Å; W258-W260 AromaticContact CG-CE2 3.56Å; W258-W260 HydrophobicContact CG-CH2 4.43Å; W258-W260 AromaticContact CG-CZ2 3.56Å; W258-W260 HydrophobicContact CG-CZ2 3.56Å; W258-W260 AromaticContact CG-NE1 3.53Å; W258-W260 AromaticContact CZ3-CH2 3.73Å; W258-W260 HydrophobicContact CZ3-CH2 3.73Å; W258-W260 AromaticContact CZ3-CZ2 3.98Å; W258-W260 HydrophobicContact CZ3-CZ2 3.98Å; W258-W260 PolarHBondContact O-N 3.28Å; W258-V261 HydrophobicContact CB-CG2 4.4Å; W258-V261 HydrophobicContact CE3-CG2 4.18Å; W258-V261 WeakPolarHBondContact O-CB 3.43Å; W258-V261 PolarHBondContact O-N 2.66Å; W258-V261 VanDerWaalsContact O-N 3.1Å
259D93.2Very high95.1Very high80 Ų8027.3 Ų27.343%0.42815%0.153SC..THydrogen-bonded Turntrans-66.3-31.7-179.670-21.5000113.3R88 K202 V261R88-D259 IonicContact NE-OD2 3.69Å; K202-D259 PolarHBondContact NZ-O 2.99Å; D259-V261 PolarHBondContact O-N 3.34Å
260W96.3Very high95.4Very high10 Ų1027.2 Ų27.24%0.03815%0.153CC..THydrogen-bonded Turntrans-70.8-4.4172.852.1-105.2000114.2A89 L91 A94 L95 V110 V114 W258A89-W260 HydrophobicContact CB-CB 3.94Å; A89-W260 VanDerWaalsContact O-CA 3.27Å; A89-W260 WeakPolarHBondContact O-CA 3.37Å; A89-W260 WeakPolarHBondContact O-CB 3.17Å; L91-W260 HydrophobicContact CB-CB 4.41Å; L91-W260 HydrophobicContact CB-CD2 3.74Å; L91-W260 HydrophobicContact CB-CE3 3.34Å; L91-W260 HydrophobicContact CB-CG 4.23Å; L91-W260 HydrophobicContact CB-CZ3 3.78Å; L91-W260 HydrophobicContact CD1-CD2 4.42Å; L91-W260 PolarHBondContact N-O 2.77Å; L91-W260 WeakPolarHBondContact O-CZ3 3.33Å; A94-W260 HydrophobicContact CB-CH2 4.16Å; A94-W260 HydrophobicContact CB-CZ3 4.34Å; L95-W260 HydrophobicContact CD1-CZ3 4.49Å; L95-W260 HydrophobicContact CD2-CH2 3.62Å; L95-W260 HydrophobicContact CD2-CZ3 3.62Å; L95-W260 HydrophobicContact CG-CH2 4.26Å; L95-W260 HydrophobicContact CG-CZ3 3.85Å; V110-W260 HydrophobicContact CB-CZ2 4.01Å; V110-W260 HydrophobicContact CG1-CZ2 4.26Å; V110-W260 HydrophobicContact CG2-CZ2 4.22Å; V114-W260 HydrophobicContact CG2-CH2 3.99Å; V114-W260 HydrophobicContact CG2-CZ2 4.46Å; W258-W260 VanDerWaalsContact C-N 3.31Å; W258-W260 HydrophobicContact CB-CD2 3.75Å; W258-W260 HydrophobicContact CB-CE3 4.49Å; W258-W260 HydrophobicContact CB-CG 4Å; W258-W260 HydrophobicContact CB-CZ2 3.77Å; W258-W260 AromaticContact CD2-CE2 3.83Å; W258-W260 AromaticContact CD2-CH2 3.85Å; W258-W260 HydrophobicContact CD2-CH2 3.85Å; W258-W260 AromaticContact CD2-CZ2 3.27Å; W258-W260 HydrophobicContact CD2-CZ2 3.27Å; W258-W260 AromaticContact CE3-CE2 3.95Å; W258-W260 AromaticContact CE3-CH2 3.15Å; W258-W260 HydrophobicContact CE3-CH2 3.15Å; W258-W260 AromaticContact CE3-CZ2 3.12Å; W258-W260 HydrophobicContact CE3-CZ2 3.12Å; W258-W260 AromaticContact CE3-CZ3 3.98Å; W258-W260 HydrophobicContact CE3-CZ3 3.98Å; W258-W260 HydrophobicContact CG-CD2 4.46Å; W258-W260 AromaticContact CG-CE2 3.56Å; W258-W260 HydrophobicContact CG-CH2 4.43Å; W258-W260 AromaticContact CG-CZ2 3.56Å; W258-W260 HydrophobicContact CG-CZ2 3.56Å; W258-W260 AromaticContact CG-NE1 3.53Å; W258-W260 AromaticContact CZ3-CH2 3.73Å; W258-W260 HydrophobicContact CZ3-CH2 3.73Å; W258-W260 AromaticContact CZ3-CZ2 3.98Å; W258-W260 HydrophobicContact CZ3-CZ2 3.98Å; W258-W260 PolarHBondContact O-N 3.28Å
261V96.6Very high95.9Very high0 Ų026.3 Ų26.30%015%0.146CC..SBendtrans-88.2102.8167.8-172.70000108.8L95 K202 F257 W258 D259L95-V261 HydrophobicContact CD1-CG1 3.97Å; L95-V261 HydrophobicContact CD1-CG2 3.99Å; L95-V261 HydrophobicContact CD2-CG2 4.07Å; L95-V261 HydrophobicContact CG-CG2 4.43Å; K202-V261 PolarHBondContact NZ-O 2.92Å; F257-V261 HydrophobicContact CD2-CB 4.07Å; F257-V261 HydrophobicContact CD2-CG1 4.34Å; W258-V261 HydrophobicContact CB-CG2 4.4Å; W258-V261 HydrophobicContact CE3-CG2 4.18Å; W258-V261 WeakPolarHBondContact O-CB 3.43Å; W258-V261 PolarHBondContact O-N 2.66Å; W258-V261 VanDerWaalsContact O-N 3.1Å; D259-V261 PolarHBondContact O-N 3.34Å
262G94.5Very high96.4Very high21 Ų2122.2 Ų22.222%0.21612%0.119CC..  trans-67.8140.1170.400000110.8R264 Y265 S266G262-R264 PolarHBondContact O-N 3.33Å; G262-Y265 CarbonylContact O-C 3.44Å; G262-Y265 VanDerWaalsContact O-C 3.32Å; G262-Y265 WeakPolarHBondContact O-CA 3.33Å; G262-Y265 PolarHBondContact O-N 3.39Å; G262-S266 PolarHBondContact O-N 3.35Å
263G93.9Very high96.7Very high29 Ų2916.3 Ų16.330%0.2999%0.091SC..G310 helixtrans-55.5-48.2-174.300000113.1G151 Y265 S266G151-G263 CarbonylContact C-O 3.57Å; G151-G263 VanDerWaalsContact CA-C 3.5Å; G151-G263 WeakPolarHBondContact CA-O 3.38Å; G263-Y265 PolarHBondContact O-N 3.18Å; G263-Y265 VanDerWaalsContact O-N 3.11Å; G263-S266 WeakPolarHBondContact O-CB 3.45Å; G263-S266 PolarHBondContact O-N 2.71Å; G263-S266 VanDerWaalsContact O-N 3.16Å; G263-S266 PolarHBondContact O-OG 3.46Å
264R97.7Very high96.9Very high3 Ų315.8 Ų15.81%0.0119%0.088CC..G310 helixtrans-70.31.217766.1-172164.6-86.60.7115.1G262 Y342 Q345 E349 S350 S500 D502G262-R264 PolarHBondContact O-N 3.33Å; R264-Y342 PolarHBondContact O-OH 2.94Å; R264-Q345 HydrophobicContact CB-CG 3.9Å; R264-Q345 WeakPolarHBondContact CD-O 3.43Å; R264-E349 WeakPolarHBondContact CD-OE2 3.08Å; R264-E349 IonicContact CZ-OE2 2.73Å; R264-E349 IonicContact NE-OE2 3.34Å; R264-E349 IonicContact NH1-OE2 2.68Å; R264-E349 PolarHBondContact NH1-OE2 3.32Å; R264-S350 WeakPolarHBondContact CD-OG 3.26Å; R264-S350 PolarHBondContact NE-OG 2.97Å; R264-S500 PolarHBondContact NH2-O 3.38Å; R264-D502 PolarHBondContact NH2-O 2.75Å
265Y98.6Very high97Very high3 Ų314.3 Ų14.31%0.0128%0.081CC..G310 helixtrans-126.121.1175.7-60.3-81.1000111.4H92 G262 G263 W268 S350 E486 I489 F501H92-Y265 AromaticContact ND1-CG 3.95Å; G262-Y265 CarbonylContact O-C 3.44Å; G262-Y265 VanDerWaalsContact O-C 3.32Å; G262-Y265 WeakPolarHBondContact O-CA 3.33Å; G262-Y265 PolarHBondContact O-N 3.39Å; G263-Y265 PolarHBondContact O-N 3.18Å; G263-Y265 VanDerWaalsContact O-N 3.11Å; Y265-W268 VanDerWaalsContact O-CD1 3.24Å; Y265-S350 PolarHBondContact OH-OG 2.84Å; Y265-E486 HydrophobicContact CD1-CB 4.24Å; Y265-E486 HydrophobicContact CD1-CG 3.75Å; Y265-E486 HydrophobicContact CE1-CB 3.9Å; Y265-E486 HydrophobicContact CE1-CG 3.74Å; Y265-I489 WeakPolarHBondContact OH-CG2 3.27Å; Y265-F501 HydrophobicContact CD2-CD1 4.45Å; Y265-F501 AromaticContact CE2-CD1 3.9Å; Y265-F501 HydrophobicContact CE2-CD1 3.9Å; Y265-F501 AromaticContact CE2-CE1 3.98Å; Y265-F501 HydrophobicContact CE2-CE1 3.98Å
266S98.1Very high97.1Very high2 Ų214.3 Ų14.31%0.0148%0.081CC..  trans-98.6-12.9-165.769.60000115.2G151 G262 G263 W268 S269 I271G151-S266 PolarHBondContact O-OG 3.43Å; G262-S266 PolarHBondContact O-N 3.35Å; G263-S266 WeakPolarHBondContact O-CB 3.45Å; G263-S266 PolarHBondContact O-N 2.71Å; G263-S266 VanDerWaalsContact O-N 3.16Å; G263-S266 PolarHBondContact O-OG 3.46Å; S266-W268 PolarHBondContact O-N 3.05Å; S266-S269 WeakPolarHBondContact O-CB 3.41Å; S266-S269 PolarHBondContact O-N 3.12Å; S266-S269 PolarHBondContact O-OG 2.9Å; S266-I271 WeakPolarHBondContact O-CB 3.49Å
267L98.6Very high97.2Very high2 Ų29.9 Ų9.91%0.016%0.06CC..THydrogen-bonded Turntrans-57.6-20-174.471.984.6000114.2M158 V159 S269 G272 I275 L287 Y342M158-L267 HydrophobicContact CE-CD2 4.36Å; V159-L267 HydrophobicContact CG2-CD1 4.22Å; V159-L267 HydrophobicContact CG2-CD2 4.07Å; L267-S269 VanDerWaalsContact C-N 3.33Å; L267-G272 WeakPolarHBondContact O-CA 3.5Å; L267-G272 PolarHBondContact O-N 2.98Å; L267-I275 HydrophobicContact CB-CD1 4.34Å; L267-L287 HydrophobicContact CD1-CD2 4.35Å; L267-Y342 HydrophobicContact CD2-CE2 3.71Å; L267-Y342 VanDerWaalsContact CD2-OH 3.32Å; L267-Y342 WeakPolarHBondContact CD2-OH 3.36Å
268W98.8Very high97.5Very high0 Ų011 Ų110%07%0.065CC..THydrogen-bonded Turntrans-76.8-18.5177.4-39.7110.3000113.6L95 Y265 S266 L287 L288 A291 I482 E486L95-W268 HydrophobicContact CB-CB 3.74Å; L95-W268 HydrophobicContact CD1-CB 3.86Å; L95-W268 HydrophobicContact CG-CB 4.47Å; Y265-W268 VanDerWaalsContact O-CD1 3.24Å; S266-W268 PolarHBondContact O-N 3.05Å; W268-L287 HydrophobicContact CE3-CG 4.47Å; W268-L287 HydrophobicContact CZ3-CD1 4.15Å; W268-L287 HydrophobicContact CZ3-CD2 4.44Å; W268-L287 HydrophobicContact CZ3-CG 3.9Å; W268-L288 HydrophobicContact CB-CD2 3.84Å; W268-L288 HydrophobicContact CE3-CD2 3.9Å; W268-A291 HydrophobicContact CE3-CB 4.25Å; W268-A291 HydrophobicContact CH2-CB 3.68Å; W268-A291 HydrophobicContact CZ2-CB 4.4Å; W268-A291 HydrophobicContact CZ3-CB 3.6Å; W268-I482 HydrophobicContact CH2-CB 3.8Å; W268-I482 HydrophobicContact CH2-CD1 4.03Å; W268-I482 HydrophobicContact CH2-CG2 3.9Å; W268-I482 HydrophobicContact CZ2-CB 3.89Å; W268-I482 HydrophobicContact CZ2-CG2 3.45Å; W268-I482 VanDerWaalsContact CZ2-CG2 3.45Å; W268-E486 PolarHBondContact NE1-OE1 3.33Å
269S98.3Very high97.7Very high6 Ų68.8 Ų8.84%0.0426%0.057CC..SBendtrans-89.2-162.7-177.572.40000111.8S266 L267 I271 G272S266-S269 WeakPolarHBondContact O-CB 3.41Å; S266-S269 PolarHBondContact O-N 3.12Å; S266-S269 PolarHBondContact O-OG 2.9Å; L267-S269 VanDerWaalsContact C-N 3.33Å; S269-I271 PolarHBondContact O-N 3.27Å; S269-I271 VanDerWaalsContact O-N 3.08Å; S269-I271 PolarHBondContact OG-N 2.83Å; S269-G272 PolarHBondContact O-N 2.97Å
270A98.3Very high97.9Very high0 Ų05.3 Ų5.30%04%0.04CC..G310 helixtrans-44.8-34.1164.200000113.5V117 L237 F255 F257 G272 L273V117-A270 HydrophobicContact CG1-CB 4.09Å; L237-A270 WeakPolarHBondContact CD1-O 3.49Å; F255-A270 HydrophobicContact CB-CB 3.65Å; F255-A270 WeakPolarHBondContact O-CB 3.44Å; F257-A270 HydrophobicContact CD1-CB 4.29Å; A270-G272 PolarHBondContact O-N 3.49Å; A270-L273 VanDerWaalsContact O-CB 3.3Å; A270-L273 WeakPolarHBondContact O-CB 3.49Å; A270-L273 PolarHBondContact O-N 3.39Å
271I98.4Very high98Very high0 Ų05.6 Ų5.60%04%0.041CC..G310 helixtrans-53.1-28175.2-63.1-65.3000112.6P156 A200 L237 F257 S266 S269 L273P156-I271 HydrophobicContact CG-CG2 3.82Å; P156-I271 WeakPolarHBondContact CG-O 3.31Å; A200-I271 HydrophobicContact CB-CD1 4.11Å; L237-I271 HydrophobicContact CB-CD1 4.01Å; L237-I271 HydrophobicContact CD1-CD1 4.24Å; F257-I271 HydrophobicContact CE1-CD1 3.92Å; F257-I271 HydrophobicContact CE1-CG1 4.17Å; F257-I271 HydrophobicContact CZ-CD1 4.04Å; F257-I271 HydrophobicContact CZ-CG1 4.23Å; S266-I271 WeakPolarHBondContact O-CB 3.49Å; S269-I271 PolarHBondContact O-N 3.27Å; S269-I271 VanDerWaalsContact O-N 3.08Å; S269-I271 PolarHBondContact OG-N 2.83Å; I271-L273 PolarHBondContact O-N 2.83Å
272G98.7Very high98.1Very high0 Ų012 Ų120%07%0.071CC..G310 helixtrans-75.25.1174.900000115.7L267 S269 A270 S274 I275 A276L267-G272 WeakPolarHBondContact O-CA 3.5Å; L267-G272 PolarHBondContact O-N 2.98Å; S269-G272 PolarHBondContact O-N 2.97Å; A270-G272 PolarHBondContact O-N 3.49Å; G272-S274 VanDerWaalsContact C-N 3.3Å; G272-S274 PolarHBondContact O-N 3.12Å; G272-I275 WeakPolarHBondContact O-CA 3.45Å; G272-I275 VanDerWaalsContact O-CB 3.24Å; G272-I275 WeakPolarHBondContact O-CB 3.32Å; G272-I275 PolarHBondContact O-N 3.08Å; G272-A276 PolarHBondContact O-N 3.06Å
273L98.8Very high98.3Very high0 Ų012.3 Ų12.30%07%0.068CC..Hα-helixtrans-57.5-40.8-176.3-176.463.4000113M121 F124 I198 V235 L237 F255 A270 I271 I275 A276 L277M121-L273 HydrophobicContact CB-CD1 4.14Å; M121-L273 HydrophobicContact CE-CB 4.3Å; M121-L273 HydrophobicContact CE-CD1 4.39Å; M121-L273 HydrophobicContact CG-CD1 4.11Å; F124-L273 HydrophobicContact CD1-CD1 4.08Å; F124-L273 HydrophobicContact CD1-CD2 4.14Å; F124-L273 HydrophobicContact CE1-CD2 4.15Å; I198-L273 HydrophobicContact CD1-CD2 4.18Å; I198-L273 HydrophobicContact CD1-CG 4.23Å; V235-L273 HydrophobicContact CG2-CD2 4.21Å; L237-L273 HydrophobicContact CD1-CB 4.32Å; L237-L273 HydrophobicContact CD2-CB 3.93Å; L237-L273 HydrophobicContact CD2-CD2 3.72Å; L237-L273 HydrophobicContact CD2-CG 4.48Å; F255-L273 HydrophobicContact CD2-CD2 3.82Å; F255-L273 HydrophobicContact CE1-CD2 4.41Å; F255-L273 HydrophobicContact CE2-CD2 3.7Å; F255-L273 HydrophobicContact CG-CD2 4.26Å; F255-L273 HydrophobicContact CZ-CD2 4.02Å; A270-L273 VanDerWaalsContact O-CB 3.3Å; A270-L273 WeakPolarHBondContact O-CB 3.49Å; A270-L273 PolarHBondContact O-N 3.39Å; I271-L273 PolarHBondContact O-N 2.83Å; L273-I275 VanDerWaalsContact C-N 3.29Å; L273-I275 PolarHBondContact O-N 2.92Å; L273-A276 PolarHBondContact O-N 2.73Å; L273-L277 HydrophobicContact CD1-CD1 4.45Å; L273-L277 HydrophobicContact CD1-CG 4.48Å; L273-L277 HydrophobicContact CG-CD1 3.98Å; L273-L277 HydrophobicContact CG-CG 4.47Å; L273-L277 WeakPolarHBondContact O-CB 3.02Å; L273-L277 WeakPolarHBondContact O-CG 3.35Å; L273-L277 PolarHBondContact O-N 2.91Å
274S98.7Very high98.6Very high0 Ų010.9 Ų10.90%05%0.054CC..Hα-helixtrans-64.3-34175.748.90000112.3N146 P156 G272 Y278N146-S274 PolarHBondContact OD1-OG 2.95Å; P156-S274 WeakPolarHBondContact CB-OG 3.46Å; G272-S274 VanDerWaalsContact C-N 3.3Å; G272-S274 PolarHBondContact O-N 3.12Å; S274-Y278 WeakPolarHBondContact O-CB 3.46Å; S274-Y278 PolarHBondContact O-N 3.33Å; S274-Y278 VanDerWaalsContact O-N 3.11Å
275I98.9Very high98.6Very high0 Ų012.5 Ų12.50%06%0.062CC..Hα-helixtrans-62.9-52.8172-54.6165.6000109.4P156 V159 T160 L267 G272 L273 L277 Y278 V279 F284 L287P156-I275 HydrophobicContact CB-CG1 4.33Å; V159-I275 HydrophobicContact CB-CD1 3.73Å; V159-I275 HydrophobicContact CB-CG1 4.09Å; V159-I275 HydrophobicContact CB-CG2 4.4Å; V159-I275 HydrophobicContact CG1-CB 4.46Å; V159-I275 HydrophobicContact CG1-CD1 3.86Å; V159-I275 HydrophobicContact CG1-CG1 4.12Å; V159-I275 HydrophobicContact CG1-CG2 3.52Å; V159-I275 HydrophobicContact CG2-CD1 4.1Å; T160-I275 HydrophobicContact CG2-CB 4.4Å; T160-I275 HydrophobicContact CG2-CG1 4.14Å; L267-I275 HydrophobicContact CB-CD1 4.34Å; G272-I275 WeakPolarHBondContact O-CA 3.45Å; G272-I275 VanDerWaalsContact O-CB 3.24Å; G272-I275 WeakPolarHBondContact O-CB 3.32Å; G272-I275 PolarHBondContact O-N 3.08Å; L273-I275 VanDerWaalsContact C-N 3.29Å; L273-I275 PolarHBondContact O-N 2.92Å; I275-L277 VanDerWaalsContact C-N 3.34Å; I275-L277 PolarHBondContact O-N 3.32Å; I275-Y278 WeakPolarHBondContact O-CB 3.19Å; I275-Y278 PolarHBondContact O-N 3Å; I275-V279 HydrophobicContact CG2-CG2 4.07Å; I275-V279 WeakPolarHBondContact O-CG2 3.24Å; I275-V279 PolarHBondContact O-N 3.03Å; I275-F284 HydrophobicContact CB-CD2 4.08Å; I275-F284 HydrophobicContact CB-CE2 4.27Å; I275-F284 HydrophobicContact CD1-CE2 4.27Å; I275-F284 HydrophobicContact CG2-CD2 3.87Å; I275-F284 HydrophobicContact CG2-CE2 4.41Å; I275-L287 HydrophobicContact CG2-CD2 4.44Å
276A98.8Very high98.6Very high0 Ų015.9 Ų15.90%08%0.077CC..Hα-helixtrans-62-38-17800000113.1M121 C125 G272 L273 Y278 G280 M281 F284M121-A276 HydrophobicContact CE-CB 4.49Å; C125-A276 VanDerWaalsContact SG-CB 3.59Å; G272-A276 PolarHBondContact O-N 3.06Å; L273-A276 PolarHBondContact O-N 2.73Å; A276-Y278 VanDerWaalsContact C-N 3.31Å; A276-Y278 PolarHBondContact O-N 2.86Å; A276-G280 CarbonylContact O-C 3.28Å; A276-G280 VanDerWaalsContact O-C 3.26Å; A276-G280 WeakPolarHBondContact O-CA 3.42Å; A276-G280 PolarHBondContact O-N 2.99Å; A276-M281 HydrophobicContact CB-CG 4.38Å; A276-M281 HydrophobicContact CB-SD 3.55Å; A276-M281 VanDerWaalsContact CB-SD 3.55Å; A276-F284 HydrophobicContact CB-CB 3.94Å; A276-F284 HydrophobicContact CB-CD1 4.22Å; A276-F284 HydrophobicContact CB-CD2 4.34Å; A276-F284 HydrophobicContact CB-CG 3.91Å
277L98.7Very high98.7Very high0 Ų015.8 Ų15.80%08%0.076CC..Hα-helixtrans-64.3-37.5173.1-76.7164.1000111.9F124 C125 V128 R129 V144 L196 I198 L273 I275F124-L277 HydrophobicContact CD1-CD2 4.42Å; F124-L277 HydrophobicContact CE1-CD1 4.2Å; F124-L277 HydrophobicContact CE1-CD2 4.38Å; C125-L277 HydrophobicContact CB-CD2 4.37Å; V128-L277 HydrophobicContact CB-CD2 3.7Å; V128-L277 HydrophobicContact CG1-CD2 3.81Å; V128-L277 HydrophobicContact CG2-CD2 4.18Å; R129-L277 PolarHBondContact NH1-O 3.35Å; V144-L277 HydrophobicContact CG1-CD1 4.21Å; V144-L277 HydrophobicContact CG2-CD1 4.09Å; L196-L277 HydrophobicContact CD2-CD1 4.34Å; I198-L277 HydrophobicContact CD1-CD1 3.66Å; L273-L277 HydrophobicContact CD1-CD1 4.45Å; L273-L277 HydrophobicContact CD1-CG 4.48Å; L273-L277 HydrophobicContact CG-CD1 3.98Å; L273-L277 HydrophobicContact CG-CG 4.47Å; L273-L277 WeakPolarHBondContact O-CB 3.02Å; L273-L277 WeakPolarHBondContact O-CG 3.35Å; L273-L277 PolarHBondContact O-N 2.91Å; I275-L277 VanDerWaalsContact C-N 3.34Å; I275-L277 PolarHBondContact O-N 3.32Å
278Y98.6Very high98.7Very high27 Ų2715.7 Ų15.711%0.1068%0.076CC..Hα-helixtrans-72.3-57.6-179.1-169.5-129000112.3R129 T160 A167 S168 I170 V172 S274 I275 A276R129-Y278 PolarHBondContact NH1-O 2.66Å; T160-Y278 HydrophobicContact CG2-CD1 3.7Å; T160-Y278 HydrophobicContact CG2-CG 4.17Å; T160-Y278 WeakPolarHBondContact O-CE1 3.23Å; A167-Y278 HydrophobicContact CB-CD1 4.23Å; A167-Y278 HydrophobicContact CB-CD2 4.06Å; A167-Y278 HydrophobicContact CB-CE1 3.67Å; A167-Y278 HydrophobicContact CB-CE2 3.46Å; A167-Y278 VanDerWaalsContact CB-CE2 3.46Å; A167-Y278 HydrophobicContact CB-CG 4.42Å; A167-Y278 WeakPolarHBondContact CB-OH 3.41Å; S168-Y278 PolarHBondContact N-O 3.37Å; S168-Y278 PolarHBondContact OG-O 3.42Å; I170-Y278 VanDerWaalsContact O-CD2 3.26Å; I170-Y278 WeakPolarHBondContact O-CD2 3.2Å; I170-Y278 WeakPolarHBondContact O-CE2 3.15Å; V172-Y278 HydrophobicContact CB-CD2 4.39Å; V172-Y278 HydrophobicContact CG1-CD2 3.88Å; V172-Y278 HydrophobicContact CG1-CG 4.01Å; V172-Y278 HydrophobicContact CG2-CD1 4.24Å; V172-Y278 HydrophobicContact CG2-CD2 3.75Å; V172-Y278 HydrophobicContact CG2-CE1 4.39Å; V172-Y278 HydrophobicContact CG2-CE2 3.93Å; V172-Y278 HydrophobicContact CG2-CG 3.91Å; S274-Y278 WeakPolarHBondContact O-CB 3.46Å; S274-Y278 PolarHBondContact O-N 3.33Å; S274-Y278 VanDerWaalsContact O-N 3.11Å; I275-Y278 WeakPolarHBondContact O-CB 3.19Å; I275-Y278 PolarHBondContact O-N 3Å; A276-Y278 VanDerWaalsContact C-N 3.31Å; A276-Y278 PolarHBondContact O-N 2.86Å
279V98.8Very high98.7Very high2 Ų219 Ų191%0.0129%0.091CC..Hα-helixtrans-95.6-6.5-173.5-56.90000114.3L163 Y166 I275 N283L163-V279 HydrophobicContact CB-CG1 3.83Å; Y166-V279 WeakPolarHBondContact O-CA 3.5Å; I275-V279 HydrophobicContact CG2-CG2 4.07Å; I275-V279 WeakPolarHBondContact O-CG2 3.24Å; I275-V279 PolarHBondContact O-N 3.03Å; V279-N283 HydrophobicContact CB-CB 3.96Å; V279-N283 HydrophobicContact CG2-CB 3.69Å; V279-N283 WeakPolarHBondContact O-CB 3.47Å; V279-N283 PolarHBondContact O-ND2 3.33Å
280G98.5Very high98.7Very high7 Ų718.7 Ų18.77%0.0729%0.089CC..  trans86.3152.4-174.300000112.6R129 A276 E282 N283 F284R129-G280 VanDerWaalsContact CZ-CA 3.47Å; A276-G280 CarbonylContact O-C 3.28Å; A276-G280 VanDerWaalsContact O-C 3.26Å; A276-G280 WeakPolarHBondContact O-CA 3.42Å; A276-G280 PolarHBondContact O-N 2.99Å; G280-E282 VanDerWaalsContact C-N 3.32Å; G280-E282 PolarHBondContact O-N 2.97Å; G280-N283 PolarHBondContact O-N 3.45Å; G280-F284 PolarHBondContact O-N 3.33Å
281M98.4Very high98.7Very high15 Ų1518.7 Ų18.77%0.0749%0.089CC..Hα-helixtrans-62.8-36.2-177.4-75.8-74.4-50.600113.1L118 M121 C125 A276 N283 F284 I285L118-M281 WeakPolarHBondContact O-CE 3.42Å; M121-M281 HydrophobicContact CB-CE 4.27Å; M121-M281 HydrophobicContact CB-SD 4.07Å; C125-M281 HydrophobicContact CB-CG 3.56Å; C125-M281 HydrophobicContact CB-SD 4.23Å; A276-M281 HydrophobicContact CB-CG 4.38Å; A276-M281 HydrophobicContact CB-SD 3.55Å; A276-M281 VanDerWaalsContact CB-SD 3.55Å; M281-N283 VanDerWaalsContact C-N 3.31Å; M281-N283 PolarHBondContact O-N 2.9Å; M281-F284 CarbonylContact O-C 3.55Å; M281-F284 PolarHBondContact O-N 3.4Å; M281-F284 VanDerWaalsContact O-N 3.14Å; M281-I285 VanDerWaalsContact O-CG1 3.24Å; M281-I285 WeakPolarHBondContact O-CG1 3.45Å; M281-I285 PolarHBondContact O-N 2.97Å
282E98.4Very high98.8Very high134 Ų13419.5 Ų19.563%0.6269%0.093SC*.Hα-helixtrans-58.2-44.1176.6-168-163.4143.300111.8G280 I285 K286G280-E282 VanDerWaalsContact C-N 3.32Å; G280-E282 PolarHBondContact O-N 2.97Å; E282-I285 PolarHBondContact O-N 3.5Å; E282-K286 WeakPolarHBondContact O-CG 3.38Å; E282-K286 PolarHBondContact O-N 3.41Å; E282-K286 IonicContact OE1-NZ 3.42Å; E282-K286 PolarHBondContact OE1-NZ 3.48Å
283N98.8Very high98.8Very high28 Ų2821.8 Ų21.815%0.1510%0.104CC..Hα-helixtrans-71.1-34.1176.5-73.7-41000112.1V279 G280 M281 K286 L287 P475V279-N283 HydrophobicContact CB-CB 3.96Å; V279-N283 HydrophobicContact CG2-CB 3.69Å; V279-N283 WeakPolarHBondContact O-CB 3.47Å; V279-N283 PolarHBondContact O-ND2 3.33Å; G280-N283 PolarHBondContact O-N 3.45Å; M281-N283 VanDerWaalsContact C-N 3.31Å; M281-N283 PolarHBondContact O-N 2.9Å; N283-K286 PolarHBondContact O-N 3.02Å; N283-L287 PolarHBondContact O-N 2.88Å; N283-P475 HydrophobicContact CB-CB 4.37Å; N283-P475 HydrophobicContact CB-CG 3.89Å; N283-P475 WeakPolarHBondContact O-CB 3.47Å
284F98.9Very high98.8Very high0 Ų021.8 Ų21.80%010%0.104CC..Hα-helixtrans-65-38.9172.2-172.7-109.2000112L118 M121 I275 A276 G280 M281 L287 L288L118-F284 HydrophobicContact CD2-CE1 4.01Å; M121-F284 HydrophobicContact CE-CD1 4.37Å; M121-F284 HydrophobicContact CE-CE1 3.71Å; M121-F284 HydrophobicContact CE-CZ 4.06Å; I275-F284 HydrophobicContact CB-CD2 4.08Å; I275-F284 HydrophobicContact CB-CE2 4.27Å; I275-F284 HydrophobicContact CD1-CE2 4.27Å; I275-F284 HydrophobicContact CG2-CD2 3.87Å; I275-F284 HydrophobicContact CG2-CE2 4.41Å; A276-F284 HydrophobicContact CB-CB 3.94Å; A276-F284 HydrophobicContact CB-CD1 4.22Å; A276-F284 HydrophobicContact CB-CD2 4.34Å; A276-F284 HydrophobicContact CB-CG 3.91Å; G280-F284 PolarHBondContact O-N 3.33Å; M281-F284 CarbonylContact O-C 3.55Å; M281-F284 PolarHBondContact O-N 3.4Å; M281-F284 VanDerWaalsContact O-N 3.14Å; F284-L287 HydrophobicContact CD2-CD2 4.06Å; F284-L287 HydrophobicContact CE2-CD2 4.2Å; F284-L287 WeakPolarHBondContact O-CB 3.35Å; F284-L287 PolarHBondContact O-N 3.17Å; F284-L288 HydrophobicContact CD1-CD1 4.24Å; F284-L288 HydrophobicContact CE1-CD1 3.97Å; F284-L288 HydrophobicContact CE1-CG 4.39Å; F284-L288 HydrophobicContact CZ-CD2 4.49Å; F284-L288 WeakPolarHBondContact O-CG 3.36Å; F284-L288 PolarHBondContact O-N 3.09Å; F284-L288 VanDerWaalsContact O-N 3.07Å
285I98.8Very high98.8Very high36 Ų3622.2 Ų22.219%0.18511%0.106CC..Hα-helixtrans-65.6-42.5174.3-65.9-68.4000110.7M281 E282 L287 L288 E289M281-I285 VanDerWaalsContact O-CG1 3.24Å; M281-I285 WeakPolarHBondContact O-CG1 3.45Å; M281-I285 PolarHBondContact O-N 2.97Å; E282-I285 PolarHBondContact O-N 3.5Å; I285-L287 VanDerWaalsContact C-N 3.27Å; I285-L287 PolarHBondContact O-N 2.88Å; I285-L288 HydrophobicContact CD1-CD1 4.24Å; I285-L288 WeakPolarHBondContact O-CB 3.5Å; I285-L288 PolarHBondContact O-N 2.91Å; I285-L288 VanDerWaalsContact O-N 3.07Å; I285-E289 HydrophobicContact CG2-CG 4.33Å; I285-E289 WeakPolarHBondContact CG2-OE1 3.48Å; I285-E289 WeakPolarHBondContact O-CG 3.44Å; I285-E289 PolarHBondContact O-N 3.41Å
286K98.9Very high98.8Very high74 Ų7425.3 Ų25.332%0.32212%0.119SC..Hα-helixtrans-57.5-40172.7-76.2166.7172.9162.90112.1E282 N283 E289 G290 P475 Y476E282-K286 WeakPolarHBondContact O-CG 3.38Å; E282-K286 PolarHBondContact O-N 3.41Å; E282-K286 IonicContact OE1-NZ 3.42Å; E282-K286 PolarHBondContact OE1-NZ 3.48Å; N283-K286 PolarHBondContact O-N 3.02Å; K286-E289 PolarHBondContact O-N 3.34Å; K286-G290 PolarHBondContact O-N 3.17Å; K286-P475 HydrophobicContact CB-CB 4.09Å; K286-Y476 VanDerWaalsContact O-CA 3.22Å; K286-Y476 WeakPolarHBondContact O-CA 3.49Å
287L98.9Very high98.8Very high0 Ų026.1 Ų26.10%012%0.123CC..Hα-helixtrans-59.7-44.9173.6175.273.8000111.8V159 L267 W268 I275 N283 F284 I285 A291 P475 L478 G479 I482V159-L287 HydrophobicContact CG1-CD2 3.78Å; L267-L287 HydrophobicContact CD1-CD2 4.35Å; W268-L287 HydrophobicContact CE3-CG 4.47Å; W268-L287 HydrophobicContact CZ3-CD1 4.15Å; W268-L287 HydrophobicContact CZ3-CD2 4.44Å; W268-L287 HydrophobicContact CZ3-CG 3.9Å; I275-L287 HydrophobicContact CG2-CD2 4.44Å; N283-L287 PolarHBondContact O-N 2.88Å; F284-L287 HydrophobicContact CD2-CD2 4.06Å; F284-L287 HydrophobicContact CE2-CD2 4.2Å; F284-L287 WeakPolarHBondContact O-CB 3.35Å; F284-L287 PolarHBondContact O-N 3.17Å; I285-L287 VanDerWaalsContact C-N 3.27Å; I285-L287 PolarHBondContact O-N 2.88Å; L287-A291 PolarHBondContact O-N 3.01Å; L287-P475 WeakPolarHBondContact CA-O 3.49Å; L287-P475 HydrophobicContact CB-CB 4.23Å; L287-P475 VanDerWaalsContact CD1-O 3.28Å; L287-P475 WeakPolarHBondContact CD1-O 3.35Å; L287-L478 HydrophobicContact CD1-CB 4.26Å; L287-L478 HydrophobicContact CD1-CD2 4.25Å; L287-L478 HydrophobicContact CD1-CG 4.15Å; L287-G479 WeakPolarHBondContact O-CA 3.22Å; L287-I482 HydrophobicContact CD1-CD1 4.5Å
288L98.9Very high98.8Very high0 Ų026.1 Ų26.10%012%0.123CC..Hα-helixtrans-64.7-41.6174.7-61.5174.6000112.1R96 L118 W268 F284 I285 A291 H292R96-L288 HydrophobicContact CB-CB 3.95Å; R96-L288 HydrophobicContact CB-CD2 3.78Å; R96-L288 HydrophobicContact CB-CG 4.45Å; L118-L288 HydrophobicContact CD1-CD1 4.19Å; L118-L288 HydrophobicContact CD2-CD1 3.85Å; W268-L288 HydrophobicContact CB-CD2 3.84Å; W268-L288 HydrophobicContact CE3-CD2 3.9Å; F284-L288 HydrophobicContact CD1-CD1 4.24Å; F284-L288 HydrophobicContact CE1-CD1 3.97Å; F284-L288 HydrophobicContact CE1-CG 4.39Å; F284-L288 HydrophobicContact CZ-CD2 4.49Å; F284-L288 WeakPolarHBondContact O-CG 3.36Å; F284-L288 PolarHBondContact O-N 3.09Å; F284-L288 VanDerWaalsContact O-N 3.07Å; I285-L288 HydrophobicContact CD1-CD1 4.24Å; I285-L288 WeakPolarHBondContact O-CB 3.5Å; I285-L288 PolarHBondContact O-N 2.91Å; I285-L288 VanDerWaalsContact O-N 3.07Å; L288-A291 PolarHBondContact O-N 3.26Å; L288-H292 WeakPolarHBondContact O-CB 3.29Å; L288-H292 PolarHBondContact O-N 3.16Å
289E98.9Very high98.8Very high69 Ų6929.8 Ų29.832%0.32214%0.14SC..Hα-helixtrans-60.6-45.2178.7-74.6167.1173.400112.5R98 I285 K286 A291 H292 E293 Y476R98-E289 HydrophobicContact CG-CB 4.46Å; R98-E289 HydrophobicContact CG-CG 3.81Å; I285-E289 HydrophobicContact CG2-CG 4.33Å; I285-E289 WeakPolarHBondContact CG2-OE1 3.48Å; I285-E289 WeakPolarHBondContact O-CG 3.44Å; I285-E289 PolarHBondContact O-N 3.41Å; K286-E289 PolarHBondContact O-N 3.34Å; E289-A291 VanDerWaalsContact C-N 3.31Å; E289-A291 PolarHBondContact O-N 2.67Å; E289-H292 WeakPolarHBondContact O-CB 3.46Å; E289-H292 PolarHBondContact O-N 3.3Å; E289-E293 WeakPolarHBondContact O-CG 3.4Å; E289-E293 PolarHBondContact O-N 3.44Å; E289-Y476 HydrophobicContact CB-CD2 3.87Å; E289-Y476 HydrophobicContact CB-CE2 3.83Å
290G98.9Very high98.8Very high0 Ų036.4 Ų36.40%017%0.17CC..Hα-helixtrans-64.2-38.6177.500000112.9K286 E293 M294 Y476 A480K286-G290 PolarHBondContact O-N 3.17Å; G290-E293 PolarHBondContact O-N 3.19Å; G290-M294 PolarHBondContact O-N 3.49Å; G290-Y476 VanDerWaalsContact CA-O 3.32Å; G290-Y476 WeakPolarHBondContact CA-O 3.44Å; G290-A480 WeakPolarHBondContact O-CA 3.28Å; G290-A480 WeakPolarHBondContact O-CB 3.35Å
291A98.9Very high98.8Very high0 Ų037.5 Ų37.50%018%0.176CC..Hα-helixtrans-66.5-40174.900000112.2R96 W268 L287 L288 E289 E293 M294 D295 G479 A483R96-A291 VanDerWaalsContact CD-CB 3.47Å; R96-A291 HydrophobicContact CG-CB 4.22Å; W268-A291 HydrophobicContact CE3-CB 4.25Å; W268-A291 HydrophobicContact CH2-CB 3.68Å; W268-A291 HydrophobicContact CZ2-CB 4.4Å; W268-A291 HydrophobicContact CZ3-CB 3.6Å; L287-A291 PolarHBondContact O-N 3.01Å; L288-A291 PolarHBondContact O-N 3.26Å; E289-A291 VanDerWaalsContact C-N 3.31Å; E289-A291 PolarHBondContact O-N 2.67Å; A291-E293 VanDerWaalsContact C-N 3.29Å; A291-E293 PolarHBondContact O-N 3.38Å; A291-M294 PolarHBondContact O-N 2.86Å; A291-D295 VanDerWaalsContact O-CG 3.25Å; A291-D295 PolarHBondContact O-N 3.47Å; A291-G479 WeakPolarHBondContact CA-O 3.47Å; A291-G479 WeakPolarHBondContact CB-O 3.31Å; A291-A483 HydrophobicContact CB-CB 3.97Å
292H98.9Very high98.8Very high17 Ų1740.1 Ų40.18%0.07919%0.194CC..Hα-helixtrans-59.6-38.8173.7-170.245.4000113R96 N97 R98 S99 L288 E289 M294 D295 K296R96-H292 WeakPolarHBondContact O-CB 3.32Å; R96-H292 VanDerWaalsContact O-CG 3.3Å; R96-H292 PolarHBondContact O-ND1 3.03Å; N97-H292 PolarHBondContact OD1-CE1 2.61Å; N97-H292 VanDerWaalsContact OD1-CE1 3.26Å; R98-H292 HydrophobicContact CG-CB 3.94Å; R98-H292 PolarHBondContact N-NE2 3.05Å; S99-H292 PolarHBondContact N-NE2 3.19Å; L288-H292 WeakPolarHBondContact O-CB 3.29Å; L288-H292 PolarHBondContact O-N 3.16Å; E289-H292 WeakPolarHBondContact O-CB 3.46Å; E289-H292 PolarHBondContact O-N 3.3Å; H292-M294 VanDerWaalsContact C-N 3.33Å; H292-D295 WeakPolarHBondContact O-CB 3.3Å; H292-D295 PolarHBondContact O-N 3.16Å; H292-D295 VanDerWaalsContact O-N 3.15Å; H292-K296 PolarHBondContact O-N 2.93Å
293E98.8Very high98.8Very high49 Ų4934 Ų3423%0.22917%0.165CC..Hα-helixtrans-72-33-178.5-69.4-83.4168.800111.2L38 E289 G290 A291 K296 H297 Y476L38-E293 HydrophobicContact CD2-CB 4.14Å; E289-E293 WeakPolarHBondContact O-CG 3.4Å; E289-E293 PolarHBondContact O-N 3.44Å; G290-E293 PolarHBondContact O-N 3.19Å; A291-E293 VanDerWaalsContact C-N 3.29Å; A291-E293 PolarHBondContact O-N 3.38Å; E293-K296 PolarHBondContact O-N 2.87Å; E293-K296 VanDerWaalsContact OE1-CE 3.29Å; E293-K296 WeakPolarHBondContact OE1-CE 3.48Å; E293-K296 IonicContact OE1-NZ 3.94Å; E293-K296 PolarHBondContact OE1-NZ 3.16Å; E293-K296 WeakPolarHBondContact OE2-CE 3.35Å; E293-K296 IonicContact OE2-NZ 3.05Å; E293-K296 PolarHBondContact OE2-NZ 3.38Å; E293-H297 WeakPolarHBondContact O-CB 3.43Å; E293-H297 PolarHBondContact O-N 3.18Å; E293-Y476 HydrophobicContact CG-CE2 4.48Å; E293-Y476 WeakPolarHBondContact CG-OH 3.19Å
294M98.9Very high98.8Very high0 Ų036.6 Ų36.60%018%0.177CC..Hα-helixtrans-69.4-33.8167.2-172.459.561.200112.7L36 I43 G290 A291 H292 H297 F298 P308 A480 A483 M484L36-M294 HydrophobicContact CD2-CE 3.5Å; L36-M294 HydrophobicContact CD2-SD 4.26Å; I43-M294 HydrophobicContact CD1-CE 4.22Å; G290-M294 PolarHBondContact O-N 3.49Å; A291-M294 PolarHBondContact O-N 2.86Å; H292-M294 VanDerWaalsContact C-N 3.33Å; M294-H297 PolarHBondContact O-N 2.94Å; M294-H297 HydrophobicContact SD-CB 4.46Å; M294-F298 WeakPolarHBondContact O-CB 3.4Å; M294-F298 PolarHBondContact O-N 2.84Å; M294-P308 HydrophobicContact SD-CG 4.04Å; M294-A480 HydrophobicContact CB-CB 4.36Å; M294-A480 HydrophobicContact CE-CB 4.23Å; M294-A480 WeakPolarHBondContact CG-O 3.19Å; M294-A483 HydrophobicContact CB-CB 3.81Å; M294-A483 HydrophobicContact CG-CB 3.9Å; M294-M484 HydrophobicContact CE-CB 3.96Å; M294-M484 HydrophobicContact CE-CG 4.37Å; M294-M484 HydrophobicContact CE-SD 4.44Å; M294-M484 HydrophobicContact CG-CB 4.01Å; M294-M484 HydrophobicContact SD-CB 3.92Å; M294-M484 HydrophobicContact SD-CG 4.24Å
295D98.9Very high98.8Very high9 Ų941.6 Ų41.65%0.04820%0.198CC..Hα-helixtrans-61.9-44.5172.6-61.7-28.7000111.3R96 A291 H292 F298 K299 H487R96-D295 WeakPolarHBondContact CG-OD2 3.38Å; R96-D295 IonicContact CZ-OD1 3.7Å; R96-D295 IonicContact CZ-OD2 2.84Å; R96-D295 IonicContact NE-OD1 2.79Å; R96-D295 PolarHBondContact NE-OD1 2.71Å; R96-D295 IonicContact NE-OD2 2.77Å; R96-D295 PolarHBondContact NE-OD2 3.21Å; R96-D295 IonicContact NH2-OD1 3.3Å; R96-D295 PolarHBondContact NH2-OD1 3.41Å; R96-D295 IonicContact NH2-OD2 3.16Å; A291-D295 VanDerWaalsContact O-CG 3.25Å; A291-D295 PolarHBondContact O-N 3.47Å; H292-D295 WeakPolarHBondContact O-CB 3.3Å; H292-D295 PolarHBondContact O-N 3.16Å; H292-D295 VanDerWaalsContact O-N 3.15Å; D295-F298 PolarHBondContact O-N 3.26Å; D295-K299 WeakPolarHBondContact O-CB 3.41Å; D295-K299 PolarHBondContact O-N 2.7Å; D295-H487 IonicContact OD1-CD2 2.67Å; D295-H487 IonicContact OD1-CE1 2.81Å; D295-H487 PolarHBondContact OD1-CE1 3.09Å; D295-H487 IonicContact OD1-NE2 3.78Å; D295-H487 PolarHBondContact OD1-NE2 2.86Å
296K98.7Very high98.8Very high65 Ų6539.9 Ų39.928%0.28319%0.189SC..Hα-helixtrans-62.6-47.7175.1-71.4-171.1-62.9171.10111.5H292 E293 F298 K299 E300H292-K296 PolarHBondContact O-N 2.93Å; E293-K296 PolarHBondContact O-N 2.87Å; E293-K296 VanDerWaalsContact OE1-CE 3.29Å; E293-K296 WeakPolarHBondContact OE1-CE 3.48Å; E293-K296 IonicContact OE1-NZ 3.94Å; E293-K296 PolarHBondContact OE1-NZ 3.16Å; E293-K296 WeakPolarHBondContact OE2-CE 3.35Å; E293-K296 IonicContact OE2-NZ 3.05Å; E293-K296 PolarHBondContact OE2-NZ 3.38Å; K296-F298 VanDerWaalsContact C-N 3.27Å; K296-F298 PolarHBondContact O-N 3.13Å; K296-K299 PolarHBondContact O-N 3.29Å; K296-K299 VanDerWaalsContact O-N 3.08Å; K296-E300 WeakPolarHBondContact O-CB 3.43Å; K296-E300 PolarHBondContact O-N 3.37Å
297H98.8Very high98.8Very high17 Ų1736.4 Ų36.48%0.07917%0.174CC..Hα-helixtrans-56.1-42.9174.3172.475.7000111.7L36 E293 M294 K299 T301 N306 L307L36-H297 HydrophobicContact CD1-CB 4.43Å; L36-H297 HydrophobicContact CD2-CB 4.26Å; E293-H297 WeakPolarHBondContact O-CB 3.43Å; E293-H297 PolarHBondContact O-N 3.18Å; M294-H297 PolarHBondContact O-N 2.94Å; M294-H297 HydrophobicContact SD-CB 4.46Å; H297-K299 VanDerWaalsContact C-N 3.33Å; H297-K299 PolarHBondContact O-N 3.05Å; H297-T301 PolarHBondContact CE1-OG1 3.37Å; H297-T301 PolarHBondContact ND1-OG1 3.49Å; H297-T301 WeakPolarHBondContact O-CB 3.45Å; H297-T301 PolarHBondContact O-N 3.48Å; H297-T301 VanDerWaalsContact O-N 3.08Å; H297-T301 PolarHBondContact O-OG1 3.35Å; H297-T301 VanDerWaalsContact O-OG1 3.05Å; H297-N306 PolarHBondContact O-ND2 3.1Å; H297-L307 PolarHBondContact NE2-N 2.82Å; H297-L307 VanDerWaalsContact NE2-N 3.12Å
298F98.9Very high98.8Very high0 Ų036.4 Ų36.40%017%0.174CC..Hα-helixtrans-64.2-37.5177.2179.5-130.6000112.7R73 M76 M77 M294 D295 K296 N306 P308 V309 H487 F490 V491R73-F298 HydrophobicContact CB-CE1 4.02Å; R73-F298 HydrophobicContact CB-CZ 4Å; R73-F298 WeakPolarHBondContact CD-O 3.33Å; R73-F298 HydrophobicContact CG-CD1 3.92Å; R73-F298 HydrophobicContact CG-CE1 3.44Å; R73-F298 VanDerWaalsContact CG-CE1 3.44Å; R73-F298 HydrophobicContact CG-CZ 3.82Å; R73-F298 PolarHBondContact NH1-O 2.94Å; M76-F298 HydrophobicContact CE-CE1 4.2Å; M77-F298 HydrophobicContact CE-CD1 3.72Å; M77-F298 HydrophobicContact CE-CE1 4.34Å; M294-F298 WeakPolarHBondContact O-CB 3.4Å; M294-F298 PolarHBondContact O-N 2.84Å; D295-F298 PolarHBondContact O-N 3.26Å; K296-F298 VanDerWaalsContact C-N 3.27Å; K296-F298 PolarHBondContact O-N 3.13Å; F298-N306 PolarHBondContact O-ND2 3.42Å; F298-P308 HydrophobicContact CB-CG 4.45Å; F298-P308 HydrophobicContact CD2-CB 4.17Å; F298-P308 HydrophobicContact CD2-CG 4.29Å; F298-V309 HydrophobicContact CD2-CG2 4.27Å; F298-V309 HydrophobicContact CE2-CG2 3.86Å; F298-H487 HydrophobicContact CD1-CB 3.88Å; F298-H487 AromaticContact CD1-CD2 3.74Å; F298-H487 AromaticContact CD1-CE1 3.75Å; F298-H487 AromaticContact CD1-CG 3.37Å; F298-H487 AromaticContact CD1-ND1 3.37Å; F298-H487 WeakPolarHBondContact CD1-ND1 3.35Å; F298-H487 AromaticContact CD1-NE2 3.94Å; F298-H487 HydrophobicContact CD2-CB 4.12Å; F298-H487 HydrophobicContact CE1-CB 4.07Å; F298-H487 AromaticContact CE1-CG 3.84Å; F298-H487 AromaticContact CE1-ND1 3.6Å; F298-H487 HydrophobicContact CE2-CB 4.34Å; F298-H487 HydrophobicContact CG-CB 3.91Å; F298-H487 AromaticContact CG-CD2 3.85Å; F298-H487 AromaticContact CG-CG 3.69Å; F298-H487 HydrophobicContact CZ-CB 4.33Å; F298-F490 AromaticContact CE1-CD1 3.91Å; F298-F490 HydrophobicContact CE1-CD1 3.91Å; F298-F490 HydrophobicContact CE1-CE1 4.14Å; F298-F490 AromaticContact CZ-CD1 3.63Å; F298-F490 HydrophobicContact CZ-CD1 3.63Å; F298-F490 AromaticContact CZ-CE1 3.84Å; F298-F490 HydrophobicContact CZ-CE1 3.84Å; F298-V491 HydrophobicContact CE2-CG2 3.65Å; F298-V491 HydrophobicContact CZ-CG2 3.79Å
299K98.5Very high98.8Very high104 Ų10436.4 Ų36.445%0.45217%0.174SC..Hα-helixtrans-71-48.4177.5-168.9175.3-170.1173.70113.6R73 M77 D295 K296 H297R73-K299 PolarHBondContact NH1-O 2.91Å; M77-K299 HydrophobicContact CE-CB 3.64Å; M77-K299 HydrophobicContact CE-CG 4.2Å; M77-K299 HydrophobicContact SD-CB 3.58Å; M77-K299 VanDerWaalsContact SD-CB 3.58Å; M77-K299 HydrophobicContact SD-CD 3.47Å; M77-K299 WeakPolarHBondContact SD-CD 3.39Å; M77-K299 HydrophobicContact SD-CG 3.43Å; M77-K299 WeakPolarHBondContact SD-CG 3.47Å; D295-K299 WeakPolarHBondContact O-CB 3.41Å; D295-K299 PolarHBondContact O-N 2.7Å; K296-K299 PolarHBondContact O-N 3.29Å; K296-K299 VanDerWaalsContact O-N 3.08Å; H297-K299 VanDerWaalsContact C-N 3.33Å; H297-K299 PolarHBondContact O-N 3.05Å
300E98.5Very high98.8Very high140 Ų14033.1 Ų33.165%0.65416%0.159SC*.Hα-helixtrans-98.2-23.9-161.6-65.3166.2-168.400112.5K296K296-E300 WeakPolarHBondContact O-CB 3.43Å; K296-E300 PolarHBondContact O-N 3.37Å
301T98.8Very high98.8Very high31 Ų3133.2 Ų33.219%0.1916%0.159CC..SBendtrans-83.1130.8-174.5-59.20000111.9H297 L303 K305 N306H297-T301 PolarHBondContact CE1-OG1 3.37Å; H297-T301 PolarHBondContact ND1-OG1 3.49Å; H297-T301 WeakPolarHBondContact O-CB 3.45Å; H297-T301 PolarHBondContact O-N 3.48Å; H297-T301 VanDerWaalsContact O-N 3.08Å; H297-T301 PolarHBondContact O-OG1 3.35Å; H297-T301 VanDerWaalsContact O-OG1 3.05Å; T301-L303 PolarHBondContact O-N 3.48Å; T301-K305 HydrophobicContact CG2-CB 3.76Å; T301-N306 HydrophobicContact CG2-CB 4.21Å; T301-N306 PolarHBondContact O-ND2 2.97Å
302P98.6Very high98.8Very high70 Ų7033.2 Ų33.246%0.45516%0.159SC..  trans-52.5139.1172.8-2734.5000112.4H304 K305 N306P302-H304 PolarHBondContact O-N 3.15Å; P302-K305 PolarHBondContact O-N 2.95Å; P302-N306 PolarHBondContact O-N 3.11Å
303L98.8Very high98.8Very high5 Ų532.4 Ų32.43%0.02616%0.156CC..G310 helixtrans-50.8-37.5-170.9-60.5-176.6000114.9I61 A64 K65 E70 T301 K305 N306 V309I61-L303 HydrophobicContact CG2-CB 3.98Å; A64-L303 HydrophobicContact CB-CD1 4.23Å; K65-L303 HydrophobicContact CG-CD1 3.51Å; E70-L303 HydrophobicContact CG-CD1 4.03Å; E70-L303 HydrophobicContact CG-CD2 3.9Å; E70-L303 HydrophobicContact CG-CG 4.16Å; T301-L303 PolarHBondContact O-N 3.48Å; L303-K305 PolarHBondContact O-N 2.95Å; L303-N306 PolarHBondContact O-N 2.92Å; L303-V309 HydrophobicContact CB-CG1 4.15Å; L303-V309 HydrophobicContact CD2-CG1 4.18Å; L303-V309 HydrophobicContact CD2-CG2 3.81Å
304H98.3Very high98.8Very high83 Ų8330.1 Ų30.138%0.38415%0.145SC..G310 helixtrans-71.5-7.8-179.869.4-82.1000114.6F57 I61 P302F57-H304 HydrophobicContact CE1-CB 4.21Å; I61-H304 HydrophobicContact CD1-CB 4.44Å; I61-H304 HydrophobicContact CG1-CB 4.09Å; I61-H304 HydrophobicContact CG2-CB 4.33Å; P302-H304 PolarHBondContact O-N 3.15Å
305K98.7Very high98.8Very high104 Ų10430.3 Ų30.345%0.45215%0.147SC..G310 helixtrans-120.11.9173.9-62.4-171.9-177.3-178.10112.6Q34 T301 P302 L303 L307Q34-K305 VanDerWaalsContact OE1-CB 3.31Å; T301-K305 HydrophobicContact CG2-CB 3.76Å; P302-K305 PolarHBondContact O-N 2.95Å; L303-K305 PolarHBondContact O-N 2.95Å; K305-L307 PolarHBondContact O-N 3.19Å
306N98.9Very high98.8Very high0 Ų029.9 Ų29.90%015%0.145CC..  trans-90.2100.8-169.9-171-45000110H297 F298 T301 P302 L303 P308 V309 I310H297-N306 PolarHBondContact O-ND2 3.1Å; F298-N306 PolarHBondContact O-ND2 3.42Å; T301-N306 HydrophobicContact CG2-CB 4.21Å; T301-N306 PolarHBondContact O-ND2 2.97Å; P302-N306 PolarHBondContact O-N 3.11Å; L303-N306 PolarHBondContact O-N 2.92Å; N306-P308 VanDerWaalsContact OD1-CD 3.28Å; N306-P308 WeakPolarHBondContact OD1-CD 3.25Å; N306-V309 HydrophobicContact CB-CB 4.02Å; N306-V309 HydrophobicContact CB-CG2 3.92Å; N306-V309 WeakPolarHBondContact O-CA 3.41Å; N306-V309 WeakPolarHBondContact O-CB 3.42Å; N306-V309 PolarHBondContact O-N 3.37Å; N306-I310 WeakPolarHBondContact O-CG1 3.38Å; N306-I310 PolarHBondContact O-N 3.1Å
307L98.9Very high98.8Very high2 Ų226.8 Ų26.81%0.0113%0.131CC..Hα-helixtrans-37.8-59.3-178.9-84.865.7000114.6Q34 L36 I43 L45 H297 K305 V309 I310 L311 M484Q34-L307 HydrophobicContact CB-CD1 3.59Å; Q34-L307 HydrophobicContact CG-CD1 4.39Å; L36-L307 HydrophobicContact CB-CD1 4.37Å; L36-L307 HydrophobicContact CB-CD2 4.07Å; L36-L307 HydrophobicContact CD2-CD2 4.2Å; I43-L307 HydrophobicContact CG2-CD2 4.17Å; L45-L307 HydrophobicContact CB-CD2 4.27Å; L45-L307 HydrophobicContact CB-CG 3.98Å; L45-L307 HydrophobicContact CD2-CB 4.22Å; L45-L307 HydrophobicContact CD2-CG 3.97Å; H297-L307 PolarHBondContact NE2-N 2.82Å; H297-L307 VanDerWaalsContact NE2-N 3.12Å; K305-L307 PolarHBondContact O-N 3.19Å; L307-V309 VanDerWaalsContact C-N 3.34Å; L307-V309 PolarHBondContact O-N 3.27Å; L307-I310 PolarHBondContact O-N 3.32Å; L307-L311 PolarHBondContact O-N 3.28Å; L307-M484 HydrophobicContact CB-CG 4.44Å; L307-M484 HydrophobicContact CB-SD 4.04Å; L307-M484 HydrophobicContact CD2-SD 3.95Å; L307-M484 HydrophobicContact CG-SD 4.49Å
308P99Very high98.8Very high0 Ų026.1 Ų26.10%013%0.128CC..Hα-helixtrans-55-43.2176.1-25.428.1000114.7M294 F298 N306 L311 A312 M484 H487M294-P308 HydrophobicContact SD-CG 4.04Å; F298-P308 HydrophobicContact CB-CG 4.45Å; F298-P308 HydrophobicContact CD2-CB 4.17Å; F298-P308 HydrophobicContact CD2-CG 4.29Å; N306-P308 VanDerWaalsContact OD1-CD 3.28Å; N306-P308 WeakPolarHBondContact OD1-CD 3.25Å; P308-L311 PolarHBondContact O-N 3.44Å; P308-A312 VanDerWaalsContact O-CB 3.32Å; P308-A312 WeakPolarHBondContact O-CB 3.18Å; P308-A312 PolarHBondContact O-N 2.92Å; P308-M484 HydrophobicContact CG-CG 4.12Å; P308-H487 HydrophobicContact CB-CB 3.53Å; P308-H487 HydrophobicContact CG-CB 3.83Å
309V98.9Very high98.8Very high0 Ų026.8 Ų26.80%013%0.131CC..Hα-helixtrans-66.6-43-179.3177.80000110.5I61 A64 F298 L303 N306 L307 A312 V313 V491I61-V309 HydrophobicContact CD1-CG1 4.5Å; A64-V309 HydrophobicContact CB-CG1 4.2Å; F298-V309 HydrophobicContact CD2-CG2 4.27Å; F298-V309 HydrophobicContact CE2-CG2 3.86Å; L303-V309 HydrophobicContact CB-CG1 4.15Å; L303-V309 HydrophobicContact CD2-CG1 4.18Å; L303-V309 HydrophobicContact CD2-CG2 3.81Å; N306-V309 HydrophobicContact CB-CB 4.02Å; N306-V309 HydrophobicContact CB-CG2 3.92Å; N306-V309 WeakPolarHBondContact O-CA 3.41Å; N306-V309 WeakPolarHBondContact O-CB 3.42Å; N306-V309 PolarHBondContact O-N 3.37Å; L307-V309 VanDerWaalsContact C-N 3.34Å; L307-V309 PolarHBondContact O-N 3.27Å; V309-A312 WeakPolarHBondContact O-CB 3.35Å; V309-A312 PolarHBondContact O-N 3.49Å; V309-V313 HydrophobicContact CG1-CG1 4.31Å; V309-V313 WeakPolarHBondContact O-CG1 3.24Å; V309-V313 WeakPolarHBondContact O-CG2 3.35Å; V309-V313 PolarHBondContact O-N 3.21Å; V309-V491 HydrophobicContact CG2-CG2 4.04Å
310I98.9Very high98.8Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-59.1-50177-67.3168.7000110.2Q34 L45 Y47 F57 N306 L307 A312 V313 L314Q34-I310 HydrophobicContact CG-CD1 3.74Å; L45-I310 HydrophobicContact CD2-CB 4.25Å; L45-I310 HydrophobicContact CD2-CG2 4.04Å; Y47-I310 HydrophobicContact CD1-CG2 3.86Å; Y47-I310 HydrophobicContact CD2-CG2 3.77Å; Y47-I310 HydrophobicContact CE1-CD1 4.04Å; Y47-I310 HydrophobicContact CE1-CG2 4.02Å; Y47-I310 HydrophobicContact CE2-CG2 3.88Å; Y47-I310 HydrophobicContact CG-CG2 3.75Å; F57-I310 HydrophobicContact CE2-CG1 4.28Å; F57-I310 HydrophobicContact CE2-CG2 4.38Å; F57-I310 HydrophobicContact CZ-CD1 4.41Å; F57-I310 HydrophobicContact CZ-CG1 4.05Å; N306-I310 WeakPolarHBondContact O-CG1 3.38Å; N306-I310 PolarHBondContact O-N 3.1Å; L307-I310 PolarHBondContact O-N 3.32Å; I310-A312 VanDerWaalsContact C-N 3.28Å; I310-A312 PolarHBondContact O-N 3.37Å; I310-V313 WeakPolarHBondContact O-CG2 3.38Å; I310-V313 PolarHBondContact O-N 3.4Å; I310-L314 HydrophobicContact CG2-CD1 3.95Å; I310-L314 WeakPolarHBondContact O-CB 3.47Å; I310-L314 VanDerWaalsContact O-CG 3.26Å; I310-L314 WeakPolarHBondContact O-CG 3.47Å; I310-L314 PolarHBondContact O-N 2.98Å; I310-L314 VanDerWaalsContact O-N 3.1Å
311L99Very high98.8Very high1 Ų117.7 Ų17.71%0.0059%0.092CC..Hα-helixtrans-59.7-40176.6-72.6174000111.9L45 L307 P308 G315 N466 I468 M484 K488L45-L311 HydrophobicContact CD1-CD2 3.69Å; L45-L311 HydrophobicContact CD1-CG 4.24Å; L45-L311 HydrophobicContact CD2-CD2 4.25Å; L45-L311 HydrophobicContact CD2-CG 3.98Å; L307-L311 PolarHBondContact O-N 3.28Å; P308-L311 PolarHBondContact O-N 3.44Å; L311-G315 PolarHBondContact O-N 3.11Å; L311-G315 VanDerWaalsContact O-N 3.11Å; L311-N466 HydrophobicContact CD2-CB 4.4Å; L311-I468 HydrophobicContact CD1-CD1 4.48Å; L311-M484 HydrophobicContact CD1-CE 3.94Å; L311-M484 HydrophobicContact CD1-CG 4Å; L311-M484 HydrophobicContact CD1-SD 3.9Å; L311-K488 HydrophobicContact CB-CB 4.37Å; L311-K488 HydrophobicContact CB-CD 3.96Å; L311-K488 HydrophobicContact CB-CG 3.91Å
312A99Very high98.7Very high0 Ų018.3 Ų18.30%09%0.091CC..Hα-helixtrans-65.2-51.1-17900000112P308 V309 I310 L314 G315 V316 K488 V491 Q492P308-A312 VanDerWaalsContact O-CB 3.32Å; P308-A312 WeakPolarHBondContact O-CB 3.18Å; P308-A312 PolarHBondContact O-N 2.92Å; V309-A312 WeakPolarHBondContact O-CB 3.35Å; V309-A312 PolarHBondContact O-N 3.49Å; I310-A312 VanDerWaalsContact C-N 3.28Å; I310-A312 PolarHBondContact O-N 3.37Å; A312-L314 VanDerWaalsContact C-N 3.34Å; A312-L314 PolarHBondContact O-N 3.3Å; A312-G315 WeakPolarHBondContact O-CA 3.4Å; A312-G315 PolarHBondContact O-N 3.33Å; A312-G315 VanDerWaalsContact O-N 3.13Å; A312-V316 WeakPolarHBondContact O-CG2 3.45Å; A312-V316 PolarHBondContact O-N 3.44Å; A312-K488 HydrophobicContact CB-CG 4.17Å; A312-K488 WeakPolarHBondContact CB-O 3.32Å; A312-V491 HydrophobicContact CB-CB 3.54Å; A312-V491 HydrophobicContact CB-CG1 3.44Å; A312-V491 VanDerWaalsContact CB-CG1 3.44Å; A312-Q492 HydrophobicContact CB-CG 3.74Å; A312-Q492 PolarHBondContact O-NE2 3.22Å
313V98.9Very high98.7Very high0 Ų017.4 Ų17.40%010%0.095CC..Hα-helixtrans-68.6-33.1-177-59.40000112.2L60 I61 A64 V309 I310 G315 V316 M317 I495L60-V313 HydrophobicContact CB-CB 3.97Å; L60-V313 HydrophobicContact CB-CG2 3.88Å; L60-V313 HydrophobicContact CD2-CB 4.31Å; I61-V313 HydrophobicContact CD1-CG2 4.46Å; A64-V313 HydrophobicContact CB-CG1 4.01Å; V309-V313 HydrophobicContact CG1-CG1 4.31Å; V309-V313 WeakPolarHBondContact O-CG1 3.24Å; V309-V313 WeakPolarHBondContact O-CG2 3.35Å; V309-V313 PolarHBondContact O-N 3.21Å; I310-V313 WeakPolarHBondContact O-CG2 3.38Å; I310-V313 PolarHBondContact O-N 3.4Å; V313-G315 VanDerWaalsContact C-N 3.34Å; V313-V316 PolarHBondContact O-N 3.26Å; V313-M317 WeakPolarHBondContact O-CB 3.28Å; V313-M317 PolarHBondContact O-N 2.84Å; V313-I495 HydrophobicContact CG1-CD1 4.11Å
314L98.9Very high98.7Very high1 Ų117.4 Ų17.41%0.00510%0.095CC..Hα-helixtrans-61.6-44.1170.2-72.2170.5000111.2Y47 N50 I52 I310 A312 M317 Y318Y47-L314 HydrophobicContact CD2-CD1 4.18Å; Y47-L314 HydrophobicContact CG-CD1 4.27Å; N50-L314 HydrophobicContact CB-CD2 4.01Å; I52-L314 HydrophobicContact CD1-CD2 4.21Å; I52-L314 HydrophobicContact CG2-CD2 4.01Å; I310-L314 HydrophobicContact CG2-CD1 3.95Å; I310-L314 WeakPolarHBondContact O-CB 3.47Å; I310-L314 VanDerWaalsContact O-CG 3.26Å; I310-L314 WeakPolarHBondContact O-CG 3.47Å; I310-L314 PolarHBondContact O-N 2.98Å; I310-L314 VanDerWaalsContact O-N 3.1Å; A312-L314 VanDerWaalsContact C-N 3.34Å; A312-L314 PolarHBondContact O-N 3.3Å; L314-M317 HydrophobicContact CD2-CE 4.27Å; L314-M317 WeakPolarHBondContact O-CB 3.21Å; L314-M317 PolarHBondContact O-N 2.66Å; L314-Y318 HydrophobicContact CB-CE2 4.49Å; L314-Y318 WeakPolarHBondContact O-CD2 3.43Å; L314-Y318 PolarHBondContact O-N 2.92Å
315G98.9Very high98.7Very high4 Ų419.4 Ų19.44%0.04111%0.105CC..Hα-helixtrans-60.4-47174.300000112.5L311 A312 V313 M317 Y318 I319L311-G315 PolarHBondContact O-N 3.11Å; L311-G315 VanDerWaalsContact O-N 3.11Å; A312-G315 WeakPolarHBondContact O-CA 3.4Å; A312-G315 PolarHBondContact O-N 3.33Å; A312-G315 VanDerWaalsContact O-N 3.13Å; V313-G315 VanDerWaalsContact C-N 3.34Å; G315-M317 VanDerWaalsContact C-N 3.29Å; G315-M317 PolarHBondContact O-N 3.37Å; G315-Y318 PolarHBondContact O-N 3.14Å; G315-I319 WeakPolarHBondContact O-CB 3.48Å; G315-I319 WeakPolarHBondContact O-CD1 3.26Å; G315-I319 VanDerWaalsContact O-CG1 3.25Å; G315-I319 WeakPolarHBondContact O-CG1 3.42Å; G315-I319 PolarHBondContact O-N 3.46Å
316V98.8Very high98.7Very high0 Ų016 Ų160%09%0.093CC..Hα-helixtrans-58.1-42175.2171.80000111.1L4 L63 A312 V313 N320 Q492 I495 W496L4-V316 HydrophobicContact CD1-CG1 4.13Å; L63-V316 HydrophobicContact CD2-CG1 3.81Å; A312-V316 WeakPolarHBondContact O-CG2 3.45Å; A312-V316 PolarHBondContact O-N 3.44Å; V313-V316 PolarHBondContact O-N 3.26Å; V316-N320 WeakPolarHBondContact CG1-OD1 3.27Å; V316-N320 WeakPolarHBondContact O-CB 3.4Å; V316-N320 PolarHBondContact O-N 2.96Å; V316-N320 PolarHBondContact O-OD1 3.14Å; V316-N320 VanDerWaalsContact O-OD1 3.13Å; V316-Q492 HydrophobicContact CG2-CG 4.13Å; V316-I495 HydrophobicContact CG1-CG2 4.07Å; V316-I495 HydrophobicContact CG2-CB 4.43Å; V316-I495 HydrophobicContact CG2-CD1 4.06Å; V316-I495 HydrophobicContact CG2-CG2 4.16Å; V316-W496 HydrophobicContact CG2-CZ2 4.18Å
317M98.7Very high98.7Very high0 Ų016.6 Ų16.60%010%0.095CC..Hα-helixtrans-58-52.4175.1-171.6-172.96200110.9F11 I52 L60 V313 L314 G315 I319 I321 Y322F11-M317 HydrophobicContact CE1-CG 4.1Å; F11-M317 HydrophobicContact CE1-SD 4.18Å; F11-M317 HydrophobicContact CZ-CG 3.97Å; F11-M317 HydrophobicContact CZ-SD 3.71Å; I52-M317 HydrophobicContact CG2-CE 3.8Å; I52-M317 HydrophobicContact CG2-SD 3.68Å; L60-M317 HydrophobicContact CD1-CB 4.33Å; L60-M317 HydrophobicContact CD1-SD 3.97Å; L60-M317 HydrophobicContact CD2-CB 3.83Å; L60-M317 HydrophobicContact CD2-CG 4.32Å; V313-M317 WeakPolarHBondContact O-CB 3.28Å; V313-M317 PolarHBondContact O-N 2.84Å; L314-M317 HydrophobicContact CD2-CE 4.27Å; L314-M317 WeakPolarHBondContact O-CB 3.21Å; L314-M317 PolarHBondContact O-N 2.66Å; G315-M317 VanDerWaalsContact C-N 3.29Å; G315-M317 PolarHBondContact O-N 3.37Å; M317-I319 PolarHBondContact O-N 3.31Å; M317-I321 HydrophobicContact CG-CB 4.49Å; M317-I321 WeakPolarHBondContact O-CA 3.37Å; M317-I321 WeakPolarHBondContact O-CB 3.38Å; M317-I321 PolarHBondContact O-N 3.04Å; M317-Y322 HydrophobicContact CE-CE2 4.12Å; M317-Y322 HydrophobicContact CG-CD2 4.16Å; M317-Y322 HydrophobicContact CG-CE2 3.91Å; M317-Y322 PolarHBondContact O-N 3.3Å; M317-Y322 HydrophobicContact SD-CE2 4.02Å
318Y98.8Very high98.7Very high4 Ų416.5 Ų16.52%0.01610%0.095CC..Hα-helixtrans-66.7-39.3-176.7-68.7-56.6000113N50 L51 L314 G315 Y322 G323 A324 L392 P394 P464N50-Y318 WeakPolarHBondContact CA-OH 3.26Å; N50-Y318 VanDerWaalsContact CB-OH 3.22Å; N50-Y318 WeakPolarHBondContact CB-OH 3.28Å; N50-Y318 VanDerWaalsContact CG-OH 3.31Å; N50-Y318 WeakPolarHBondContact OD1-CE2 3.38Å; N50-Y318 PolarHBondContact OD1-OH 2.71Å; L51-Y318 HydrophobicContact CD1-CE1 4.41Å; L51-Y318 PolarHBondContact N-OH 2.94Å; L51-Y318 VanDerWaalsContact N-OH 3.17Å; L314-Y318 HydrophobicContact CB-CE2 4.49Å; L314-Y318 WeakPolarHBondContact O-CD2 3.43Å; L314-Y318 PolarHBondContact O-N 2.92Å; G315-Y318 PolarHBondContact O-N 3.14Å; Y318-Y322 AromaticContact CD1-CD2 3.84Å; Y318-Y322 HydrophobicContact CD1-CD2 3.84Å; Y318-Y322 HydrophobicContact CD1-CE2 4.4Å; Y318-Y322 HydrophobicContact CD1-CG 4.17Å; Y318-Y322 HydrophobicContact CE1-CD2 4.32Å; Y318-Y322 HydrophobicContact CE1-CE2 4.44Å; Y318-Y322 CarbonylContact O-C 3.5Å; Y318-Y322 WeakPolarHBondContact O-CA 3.47Å; Y318-Y322 WeakPolarHBondContact O-CB 3.41Å; Y318-Y322 PolarHBondContact O-N 3.43Å; Y318-G323 PolarHBondContact O-N 3.07Å; Y318-A324 WeakPolarHBondContact O-CB 3.44Å; Y318-A324 PolarHBondContact O-N 3.07Å; Y318-L392 HydrophobicContact CD1-CD2 4.34Å; Y318-P394 VanDerWaalsContact CB-CG 3.49Å; Y318-P394 HydrophobicContact CD1-CG 4.13Å; Y318-P394 HydrophobicContact CD2-CB 3.77Å; Y318-P394 HydrophobicContact CD2-CG 3.55Å; Y318-P394 HydrophobicContact CE2-CB 4.23Å; Y318-P394 HydrophobicContact CE2-CG 4.32Å; Y318-P394 HydrophobicContact CG-CB 4.2Å; Y318-P394 HydrophobicContact CG-CG 3.45Å; Y318-P394 VanDerWaalsContact CG-CG 3.45Å; Y318-P464 HydrophobicContact CD1-CG 4.33Å; Y318-P464 HydrophobicContact CE1-CB 3.97Å; Y318-P464 HydrophobicContact CE1-CG 3.64Å; Y318-P464 HydrophobicContact CE2-CB 4.18Å; Y318-P464 HydrophobicContact CE2-CG 4.26Å; Y318-P464 VanDerWaalsContact CZ-CB 3.48Å; Y318-P464 WeakPolarHBondContact OH-CB 3.22Å
319I98.8Very high98.7Very high13 Ų1316.5 Ų16.57%0.06710%0.095CC..Hα-helixtrans-66.9-55.9178.1-68.1162.9000110G315 M317 G323 T366 P368 W496G315-I319 WeakPolarHBondContact O-CB 3.48Å; G315-I319 WeakPolarHBondContact O-CD1 3.26Å; G315-I319 VanDerWaalsContact O-CG1 3.25Å; G315-I319 WeakPolarHBondContact O-CG1 3.42Å; G315-I319 PolarHBondContact O-N 3.46Å; M317-I319 PolarHBondContact O-N 3.31Å; I319-G323 VanDerWaalsContact O-CA 3.3Å; I319-G323 WeakPolarHBondContact O-CA 3.41Å; I319-G323 PolarHBondContact O-N 3.47Å; I319-T366 WeakPolarHBondContact CG2-O 3.07Å; I319-P368 HydrophobicContact CD1-CB 4.01Å; I319-P368 HydrophobicContact CD1-CG 3.98Å; I319-P368 HydrophobicContact CG1-CB 4.36Å; I319-W496 HydrophobicContact CB-CZ2 4.47Å; I319-W496 HydrophobicContact CD1-CH2 3.67Å; I319-W496 HydrophobicContact CD1-CZ2 3.62Å; I319-W496 HydrophobicContact CG2-CZ2 4.21Å
320N98.6Very high98.7Very high25 Ų2516.5 Ų16.513%0.13410%0.095CC..Hα-helixtrans-90.8-22.4-166.3-58.4103.1000114.6L8 V316 S365 W496L8-N320 HydrophobicContact CD2-CB 3.61Å; V316-N320 WeakPolarHBondContact CG1-OD1 3.27Å; V316-N320 WeakPolarHBondContact O-CB 3.4Å; V316-N320 PolarHBondContact O-N 2.96Å; V316-N320 PolarHBondContact O-OD1 3.14Å; V316-N320 VanDerWaalsContact O-OD1 3.13Å; N320-S365 PolarHBondContact ND2-O 2.92Å; N320-W496 PolarHBondContact OD1-NE1 2.99Å
321I98.2Very high98.7Very high28 Ų2816.6 Ų16.614%0.14410%0.095CC..THydrogen-bonded Turntrans-103.2-39.2177.5-61-67.5000112F7 L8 F11 K13 M317F7-I321 HydrophobicContact CE1-CD1 3.94Å; F7-I321 HydrophobicContact CE1-CG1 3.75Å; F7-I321 HydrophobicContact CZ-CG1 4.24Å; L8-I321 HydrophobicContact CD2-CD1 3.58Å; L8-I321 HydrophobicContact CD2-CG1 4.23Å; F11-I321 HydrophobicContact CB-CD1 3.92Å; F11-I321 HydrophobicContact CD1-CB 4.39Å; F11-I321 HydrophobicContact CD1-CD1 3.89Å; F11-I321 HydrophobicContact CD1-CG1 3.77Å; F11-I321 HydrophobicContact CD1-CG2 3.88Å; F11-I321 HydrophobicContact CE1-CG1 4.28Å; F11-I321 HydrophobicContact CE1-CG2 4.08Å; F11-I321 HydrophobicContact CG-CD1 4.19Å; F11-I321 HydrophobicContact CG-CG1 4.3Å; K13-I321 HydrophobicContact CD-CG2 4.32Å; K13-I321 VanDerWaalsContact CE-CG2 3.5Å; K13-I321 WeakPolarHBondContact CE-O 3.43Å; K13-I321 HydrophobicContact CG-CG2 3.78Å; K13-I321 PolarHBondContact NZ-O 2.73Å; M317-I321 HydrophobicContact CG-CB 4.49Å; M317-I321 WeakPolarHBondContact O-CA 3.37Å; M317-I321 WeakPolarHBondContact O-CB 3.38Å; M317-I321 PolarHBondContact O-N 3.04Å
322Y98Very high98.7Very high45 Ų4516.6 Ų16.618%0.17610%0.095CC..THydrogen-bonded Turntrans-99.3-9.3-177.3-66.9-94.1000113.9K13 L51 M317 Y318 A324 L392K13-Y322 HydrophobicContact CD-CD1 4.29Å; K13-Y322 HydrophobicContact CD-CE1 3.88Å; K13-Y322 HydrophobicContact CG-CE1 4.16Å; L51-Y322 WeakPolarHBondContact CB-OH 3.32Å; L51-Y322 HydrophobicContact CD1-CD1 4.39Å; L51-Y322 HydrophobicContact CD1-CE1 3.71Å; M317-Y322 HydrophobicContact CE-CE2 4.12Å; M317-Y322 HydrophobicContact CG-CD2 4.16Å; M317-Y322 HydrophobicContact CG-CE2 3.91Å; M317-Y322 PolarHBondContact O-N 3.3Å; M317-Y322 HydrophobicContact SD-CE2 4.02Å; Y318-Y322 AromaticContact CD1-CD2 3.84Å; Y318-Y322 HydrophobicContact CD1-CD2 3.84Å; Y318-Y322 HydrophobicContact CD1-CE2 4.4Å; Y318-Y322 HydrophobicContact CD1-CG 4.17Å; Y318-Y322 HydrophobicContact CE1-CD2 4.32Å; Y318-Y322 HydrophobicContact CE1-CE2 4.44Å; Y318-Y322 CarbonylContact O-C 3.5Å; Y318-Y322 WeakPolarHBondContact O-CA 3.47Å; Y318-Y322 WeakPolarHBondContact O-CB 3.41Å; Y318-Y322 PolarHBondContact O-N 3.43Å; Y322-A324 VanDerWaalsContact C-N 3.28Å; Y322-A324 PolarHBondContact O-N 3.3Å; Y322-L392 HydrophobicContact CD1-CD2 4.03Å; Y322-L392 HydrophobicContact CG-CD2 4.03Å
323G98.1Very high98.7Very high51 Ų5117.2 Ų17.253%0.52610%0.099SC..  trans67.927.1179.200000113.3Y318 I319 E325Y318-G323 PolarHBondContact O-N 3.07Å; I319-G323 VanDerWaalsContact O-CA 3.3Å; I319-G323 WeakPolarHBondContact O-CA 3.41Å; I319-G323 PolarHBondContact O-N 3.47Å; G323-E325 PolarHBondContact O-N 3.25Å
324A98.7Very high98.7Very high4 Ų422.5 Ų22.53%0.03312%0.123CC..  trans-71.5108.7175.700000109.8Y318 Y322 T326 P394Y318-A324 WeakPolarHBondContact O-CB 3.44Å; Y318-A324 PolarHBondContact O-N 3.07Å; Y322-A324 VanDerWaalsContact C-N 3.28Å; Y322-A324 PolarHBondContact O-N 3.3Å; A324-T326 VanDerWaalsContact C-N 3.28Å; A324-T326 PolarHBondContact O-N 2.99Å; A324-P394 HydrophobicContact CB-CG 3.98Å
325E98.6Very high98.7Very high126 Ų12624.6 Ų24.659%0.58913%0.132SC*.  trans-73.5-18.7-179.9-67.1178.1-133.600113.3G323 I369 R391G323-E325 PolarHBondContact O-N 3.25Å; E325-I369 PolarHBondContact O-N 3.14Å; E325-R391 IonicContact OE1-NH1 2.77Å
326T98.9Very high98.7Very high33 Ų3324.4 Ų24.420%0.20213%0.13CC..EExtended strand (participates in β ladder)trans-129.7150.4-170.881.30000112.5A324 I369 W371 P394A324-T326 VanDerWaalsContact C-N 3.28Å; A324-T326 PolarHBondContact O-N 2.99Å; T326-I369 CarbonylContact C-O 3.52Å; T326-I369 WeakPolarHBondContact CA-O 3.24Å; T326-I369 WeakPolarHBondContact CB-O 3.47Å; T326-I369 HydrophobicContact CG2-CB 4.19Å; T326-W371 PolarHBondContact OG1-NE1 3.35Å; T326-P394 WeakPolarHBondContact O-CD 3.28Å
327Q98.9Very high98.7Very high11 Ų1125.5 Ų25.55%0.05114%0.137CC..EExtended strand (participates in β ladder)trans-122.8122.7169.8173.672.240.600109.1P368 I369 V370 W371 D396Q327-P368 HydrophobicContact CB-CB 4.2Å; Q327-P368 HydrophobicContact CB-CG 3.94Å; Q327-I369 PolarHBondContact N-O 2.84Å; Q327-V370 HydrophobicContact CB-CG2 4.49Å; Q327-V370 WeakPolarHBondContact O-CA 3.4Å; Q327-W371 PolarHBondContact O-N 3.32Å; Q327-W371 VanDerWaalsContact O-N 3.16Å; Q327-D396 PolarHBondContact NE2-OD1 3.38Å; Q327-D396 PolarHBondContact NE2-OD2 2.99Å; Q327-D396 VanDerWaalsContact NE2-OD2 3.1Å
328A98.9Very high98.7Very high0 Ų030.3 Ų30.30%016%0.155CC..EExtended strand (participates in β ladder)trans-91.4135.617600000111.3L330 W371 I393 P394 C395 D396A328-L330 HydrophobicContact CB-CD1 4.11Å; A328-L330 HydrophobicContact CB-CD2 4.2Å; A328-L330 HydrophobicContact CB-CG 4.05Å; A328-W371 CarbonylContact C-O 3.56Å; A328-W371 VanDerWaalsContact CA-O 3.26Å; A328-W371 WeakPolarHBondContact CA-O 3.47Å; A328-W371 HydrophobicContact CB-CZ2 4.3Å; A328-I393 HydrophobicContact CB-CG2 3.94Å; A328-P394 PolarHBondContact N-O 2.9Å; A328-C395 HydrophobicContact CB-CB 4.37Å; A328-C395 WeakPolarHBondContact O-CA 3.19Å; A328-D396 PolarHBondContact O-N 3.37Å
329I98.9Very high98.7Very high1 Ų130.1 Ų30.11%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-115.6110.9172.2-61178.3000107.9P331 F339 A340 F343 V370 W371 G372 L398 Y485I329-P331 VanDerWaalsContact O-CD 3.27Å; I329-P331 WeakPolarHBondContact O-CD 3.31Å; I329-F339 HydrophobicContact CG2-CD1 3.78Å; I329-F339 HydrophobicContact CG2-CE1 4.13Å; I329-A340 HydrophobicContact CB-CB 4.17Å; I329-A340 HydrophobicContact CG2-CB 4.45Å; I329-F343 HydrophobicContact CD1-CB 3.67Å; I329-F343 HydrophobicContact CD1-CD2 4.4Å; I329-F343 HydrophobicContact CD1-CG 4.27Å; I329-V370 HydrophobicContact CD1-CG1 3.67Å; I329-V370 HydrophobicContact CG1-CG1 4.16Å; I329-W371 PolarHBondContact N-O 3.08Å; I329-G372 WeakPolarHBondContact O-CA 3.32Å; I329-L398 HydrophobicContact CG2-CD1 3.74Å; I329-Y485 HydrophobicContact CD1-CE1 4.01Å; I329-Y485 HydrophobicContact CG1-CE1 4.45Å
330L98.9Very high98.7Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-122.976.1-165.1-55.7173.8000110.3A328 Y332 F382 Y383 I386 C395 D396 F397 L398A328-L330 HydrophobicContact CB-CD1 4.11Å; A328-L330 HydrophobicContact CB-CD2 4.2Å; A328-L330 HydrophobicContact CB-CG 4.05Å; L330-Y332 WeakPolarHBondContact O-CD2 3.5Å; L330-Y332 PolarHBondContact O-N 3.14Å; L330-F382 HydrophobicContact CD2-CE2 3.87Å; L330-F382 HydrophobicContact CD2-CZ 3.96Å; L330-Y383 HydrophobicContact CD1-CE1 3.96Å; L330-Y383 WeakPolarHBondContact CD1-OH 3.31Å; L330-Y383 HydrophobicContact CD2-CE1 4.24Å; L330-I386 HydrophobicContact CD1-CD1 4.43Å; L330-C395 HydrophobicContact CD1-CB 3.89Å; L330-D396 PolarHBondContact N-O 2.78Å; L330-F397 HydrophobicContact CD1-CD2 4.37Å; L330-F397 HydrophobicContact CD1-CE1 4.41Å; L330-F397 HydrophobicContact CD1-CE2 3.85Å; L330-F397 HydrophobicContact CD1-CZ 3.86Å; L330-L398 PolarHBondContact O-N 3.5Å
331P98.9Very high98.7Very high1 Ų129.1 Ų29.11%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-73125.1179.129.9-32.6000110.8I329 D333 M336 P374 G375 L398I329-P331 VanDerWaalsContact O-CD 3.27Å; I329-P331 WeakPolarHBondContact O-CD 3.31Å; P331-D333 PolarHBondContact O-N 3.04Å; P331-M336 HydrophobicContact CB-CB 3.61Å; P331-M336 HydrophobicContact CB-CE 4.21Å; P331-M336 HydrophobicContact CB-CG 4.42Å; P331-M336 HydrophobicContact CB-SD 4.03Å; P331-M336 HydrophobicContact CG-CB 3.9Å; P331-P374 CarbonylContact O-C 3.59Å; P331-P374 WeakPolarHBondContact O-CA 3.43Å; P331-P374 WeakPolarHBondContact O-CB 3.42Å; P331-G375 PolarHBondContact O-N 3.25Å; P331-L398 CarbonylContact C-O 3.52Å; P331-L398 WeakPolarHBondContact CA-O 3.22Å; P331-L398 HydrophobicContact CB-CB 4.35Å
332Y98.9Very high98.7Very high1 Ų128 Ų280%0.00415%0.146CC..SBendtrans-85.357.3169.8-80.5-125.5000109L330 T376 Q379 F397 L398 I399 L416 N419 F420 Q423L330-Y332 WeakPolarHBondContact O-CD2 3.5Å; L330-Y332 PolarHBondContact O-N 3.14Å; Y332-T376 HydrophobicContact CD1-CG2 4.47Å; Y332-T376 HydrophobicContact CE1-CG2 4.16Å; Y332-Q379 PolarHBondContact OH-NE2 3.36Å; Y332-F397 HydrophobicContact CD2-CD1 4.11Å; Y332-F397 AromaticContact CE2-CD1 3.4Å; Y332-F397 HydrophobicContact CE2-CD1 3.4Å; Y332-F397 VanDerWaalsContact CE2-CD1 3.4Å; Y332-F397 AromaticContact CE2-CE1 3.61Å; Y332-F397 HydrophobicContact CE2-CE1 3.61Å; Y332-F397 AromaticContact CZ-CD1 3.99Å; Y332-F397 AromaticContact CZ-CE1 3.91Å; Y332-F397 WeakPolarHBondContact OH-CE1 3.32Å; Y332-L398 PolarHBondContact N-O 3.36Å; Y332-I399 HydrophobicContact CG-CD1 4.46Å; Y332-L416 HydrophobicContact CD1-CD1 3.75Å; Y332-L416 HydrophobicContact CD1-CG 4.33Å; Y332-L416 HydrophobicContact CG-CD1 4.38Å; Y332-L416 WeakPolarHBondContact O-CD2 3.45Å; Y332-N419 HydrophobicContact CE1-CB 4.08Å; Y332-F420 HydrophobicContact CD1-CB 3.62Å; Y332-F420 HydrophobicContact CD1-CD2 4.33Å; Y332-F420 AromaticContact CD2-CD2 3.98Å; Y332-F420 HydrophobicContact CD2-CD2 3.98Å; Y332-F420 HydrophobicContact CE1-CB 3.88Å; Y332-F420 VanDerWaalsContact CE1-N 3.32Å; Y332-F420 HydrophobicContact CG-CB 4.06Å; Y332-F420 AromaticContact CG-CD2 3.9Å; Y332-F420 HydrophobicContact CG-CD2 3.9Å; Y332-F420 HydrophobicContact CG-CG 4.5Å; Y332-Q423 VanDerWaalsContact OH-CG 3.3Å; Y332-Q423 WeakPolarHBondContact OH-CG 3.07Å
333D98.9Very high98.8Very high14 Ų1426 Ų268%0.07514%0.138CC..  trans-155.2126.3177-178.4-78.2000108.7P331 Y335 M336 P400P331-D333 PolarHBondContact O-N 3.04Å; D333-Y335 VanDerWaalsContact OD1-CA 3.29Å; D333-Y335 WeakPolarHBondContact OD1-CA 3.33Å; D333-Y335 VanDerWaalsContact OD1-CB 3.23Å; D333-Y335 WeakPolarHBondContact OD1-CB 3.37Å; D333-Y335 PolarHBondContact OD1-N 3.37Å; D333-M336 HydrophobicContact CB-CB 4.16Å; D333-M336 HydrophobicContact CB-CG 3.96Å; D333-M336 HydrophobicContact CB-SD 4.02Å; D333-M336 PolarHBondContact O-N 2.84Å; D333-M336 PolarHBondContact OD1-N 3.18Å; D333-P400 HydrophobicContact CB-CG 4.45Å
334Q98.9Very high98.8Very high111 Ų11127.3 Ų27.352%0.51913%0.131SC..SBendtrans-73.1-29.2-175.7-171.959.742.800112.7M336 S337Q334-M336 PolarHBondContact O-N 3.37Å; Q334-S337 VanDerWaalsContact O-CB 3.27Å; Q334-S337 WeakPolarHBondContact O-CB 3.18Å; Q334-S337 PolarHBondContact O-N 3.23Å; Q334-S337 PolarHBondContact O-OG 3.42Å
335Y98.9Very high98.8Very high45 Ų4528.2 Ų28.218%0.17613%0.134CC..THydrogen-bonded Turntrans-68.1-24.1173.9-64.8-57.9000111E161 C162 K164 P165 D333 S337 H404 N405E161-Y335 CarbonylContact C-O 3.5Å; E161-Y335 WeakPolarHBondContact O-CB 3.44Å; E161-Y335 WeakPolarHBondContact O-CD1 3.35Å; C162-Y335 VanDerWaalsContact CA-O 3.23Å; C162-Y335 WeakPolarHBondContact CA-O 3.46Å; C162-Y335 PolarHBondContact N-O 3.22Å; C162-Y335 PolarHBondContact SG-O 3.47Å; C162-Y335 VanDerWaalsContact SG-O 3.34Å; K164-Y335 HydrophobicContact CB-CD1 3.88Å; K164-Y335 HydrophobicContact CB-CE1 3.7Å; K164-Y335 HydrophobicContact CD-CD1 4.46Å; K164-Y335 HydrophobicContact CD-CE1 3.96Å; K164-Y335 HydrophobicContact CG-CE1 4.05Å; P165-Y335 HydrophobicContact CG-CD2 3.95Å; P165-Y335 HydrophobicContact CG-CE1 4.31Å; P165-Y335 HydrophobicContact CG-CE2 3.33Å; D333-Y335 VanDerWaalsContact OD1-CA 3.29Å; D333-Y335 WeakPolarHBondContact OD1-CA 3.33Å; D333-Y335 VanDerWaalsContact OD1-CB 3.23Å; D333-Y335 WeakPolarHBondContact OD1-CB 3.37Å; D333-Y335 PolarHBondContact OD1-N 3.37Å; Y335-S337 PolarHBondContact O-N 2.93Å; Y335-H404 HydrophobicContact CE2-CB 4.24Å; Y335-N405 PolarHBondContact OH-ND2 3.45Å
336M98.9Very high98.8Very high0 Ų022.3 Ų22.30%011%0.107CC..THydrogen-bonded Turntrans-81.915.9171.9-62.4-176.876.600114.7P331 D333 Q334 R338 F339 L398 F470 L473P331-M336 HydrophobicContact CB-CB 3.61Å; P331-M336 HydrophobicContact CB-CE 4.21Å; P331-M336 HydrophobicContact CB-CG 4.42Å; P331-M336 HydrophobicContact CB-SD 4.03Å; P331-M336 HydrophobicContact CG-CB 3.9Å; D333-M336 HydrophobicContact CB-CB 4.16Å; D333-M336 HydrophobicContact CB-CG 3.96Å; D333-M336 HydrophobicContact CB-SD 4.02Å; D333-M336 PolarHBondContact O-N 2.84Å; D333-M336 PolarHBondContact OD1-N 3.18Å; Q334-M336 PolarHBondContact O-N 3.37Å; M336-R338 PolarHBondContact O-N 2.68Å; M336-F339 HydrophobicContact CB-CB 4.05Å; M336-F339 HydrophobicContact CE-CB 4.21Å; M336-F339 HydrophobicContact CE-CD1 3.86Å; M336-F339 HydrophobicContact CE-CD2 3.55Å; M336-F339 HydrophobicContact CE-CE1 4.04Å; M336-F339 HydrophobicContact CE-CE2 3.73Å; M336-F339 HydrophobicContact CE-CG 3.61Å; M336-F339 HydrophobicContact CE-CZ 3.96Å; M336-F339 WeakPolarHBondContact O-CB 3.44Å; M336-F339 PolarHBondContact O-N 3.34Å; M336-L398 HydrophobicContact CE-CD2 4.39Å; M336-F470 HydrophobicContact SD-CZ 3.9Å; M336-L473 HydrophobicContact CG-CD1 4.37Å; M336-L473 HydrophobicContact CG-CD2 3.55Å; M336-L473 HydrophobicContact SD-CD1 3.98Å; M336-L473 HydrophobicContact SD-CD2 4.06Å
337S98.6Very high98.8Very high23 Ų2320.9 Ų20.916%0.16110%0.098CC..THydrogen-bonded Turntrans-57.7-22-17959.70000115.9Q334 Y335Q334-S337 VanDerWaalsContact O-CB 3.27Å; Q334-S337 WeakPolarHBondContact O-CB 3.18Å; Q334-S337 PolarHBondContact O-N 3.23Å; Q334-S337 PolarHBondContact O-OG 3.42Å; Y335-S337 PolarHBondContact O-N 2.93Å
338R98.8Very high98.8Very high100 Ų10023.6 Ų23.638%0.37711%0.111SC..THydrogen-bonded Turntrans-103.83.5176.4-57.6-55.3-62.1156.2-3.4113.7V157 M158 E161 M336 A341 Y342V157-R338 HydrophobicContact CG1-CG 4.18Å; M158-R338 HydrophobicContact CB-CB 4.05Å; M158-R338 HydrophobicContact CG-CB 4.31Å; E161-R338 HydrophobicContact CG-CG 4.47Å; M336-R338 PolarHBondContact O-N 2.68Å; R338-A341 PolarHBondContact O-N 2.96Å; R338-Y342 PolarHBondContact O-N 2.8Å
339F98.9Very high98.8Very high0 Ų026.3 Ų26.30%012%0.124CC..Hα-helixtrans-65.8-44.9-176.3-166.7-97.3000112.4M158 I329 M336 Y342 F343 L398 L478 L481 I482 Y485M158-F339 HydrophobicContact SD-CD2 4.05Å; I329-F339 HydrophobicContact CG2-CD1 3.78Å; I329-F339 HydrophobicContact CG2-CE1 4.13Å; M336-F339 HydrophobicContact CB-CB 4.05Å; M336-F339 HydrophobicContact CE-CB 4.21Å; M336-F339 HydrophobicContact CE-CD1 3.86Å; M336-F339 HydrophobicContact CE-CD2 3.55Å; M336-F339 HydrophobicContact CE-CE1 4.04Å; M336-F339 HydrophobicContact CE-CE2 3.73Å; M336-F339 HydrophobicContact CE-CG 3.61Å; M336-F339 HydrophobicContact CE-CZ 3.96Å; M336-F339 WeakPolarHBondContact O-CB 3.44Å; M336-F339 PolarHBondContact O-N 3.34Å; F339-Y342 PolarHBondContact O-N 3.26Å; F339-F343 HydrophobicContact CD1-CD2 4.04Å; F339-F343 HydrophobicContact CD1-CE2 4.27Å; F339-F343 HydrophobicContact CD2-CE2 4.37Å; F339-F343 AromaticContact CE1-CD2 3.75Å; F339-F343 HydrophobicContact CE1-CD2 3.75Å; F339-F343 AromaticContact CE1-CE2 3.67Å; F339-F343 HydrophobicContact CE1-CE2 3.67Å; F339-F343 HydrophobicContact CE2-CD2 4.46Å; F339-F343 AromaticContact CE2-CE2 3.79Å; F339-F343 HydrophobicContact CE2-CE2 3.79Å; F339-F343 HydrophobicContact CZ-CD2 4Å; F339-F343 AromaticContact CZ-CE2 3.42Å; F339-F343 HydrophobicContact CZ-CE2 3.42Å; F339-F343 VanDerWaalsContact CZ-CE2 3.42Å; F339-F343 HydrophobicContact CZ-CZ 4.48Å; F339-F343 WeakPolarHBondContact O-CD2 3.38Å; F339-F343 PolarHBondContact O-N 3.28Å; F339-L398 HydrophobicContact CE1-CD2 3.98Å; F339-L398 HydrophobicContact CZ-CD2 4.42Å; F339-L478 HydrophobicContact CD2-CD1 4.41Å; F339-L478 HydrophobicContact CE2-CD1 4.17Å; F339-L481 HydrophobicContact CZ-CB 4.46Å; F339-I482 HydrophobicContact CE2-CG1 4.16Å; F339-Y485 HydrophobicContact CE1-CD2 4.36Å; F339-Y485 HydrophobicContact CE1-CE2 4.04Å; F339-Y485 HydrophobicContact CZ-CD2 4.25Å; F339-Y485 HydrophobicContact CZ-CE2 4.25Å
340A98.8Very high98.8Very high4 Ų426.2 Ų26.23%0.03312%0.124CC..Hα-helixtrans-63.1-43.4175.400000111.8I329 Y342 F343 Q344I329-A340 HydrophobicContact CB-CB 4.17Å; I329-A340 HydrophobicContact CG2-CB 4.45Å; A340-Y342 VanDerWaalsContact C-N 3.33Å; A340-Y342 PolarHBondContact O-N 2.87Å; A340-F343 CarbonylContact O-C 3.35Å; A340-F343 PolarHBondContact O-N 3.29Å; A340-F343 VanDerWaalsContact O-N 3.16Å; A340-Q344 PolarHBondContact O-N 3.27Å
341A98.6Very high98.8Very high13 Ų1326.2 Ų26.211%0.10712%0.124CC..Hα-helixtrans-65.3-33.317800000113.2R338 Q344R338-A341 PolarHBondContact O-N 2.96Å; A341-Q344 WeakPolarHBondContact O-CB 3.47Å; A341-Q344 PolarHBondContact O-N 3.39Å
342Y98.9Very high98.8Very high6 Ų628.6 Ų28.62%0.02415%0.149CC..Hα-helixtrans-62.2-46.2170.8173.9-98000111.2L154 M158 R264 L267 R338 F339 A340 Q344 Q345 G346 I482L154-Y342 HydrophobicContact CB-CD2 4.33Å; M158-Y342 HydrophobicContact CB-CG 4.45Å; M158-Y342 HydrophobicContact CE-CD1 3.6Å; M158-Y342 HydrophobicContact CE-CD2 3.84Å; M158-Y342 HydrophobicContact CE-CE1 3.98Å; M158-Y342 HydrophobicContact CE-CE2 4.19Å; M158-Y342 HydrophobicContact CE-CG 3.52Å; M158-Y342 HydrophobicContact CG-CG 4.38Å; R264-Y342 PolarHBondContact O-OH 2.94Å; L267-Y342 HydrophobicContact CD2-CE2 3.71Å; L267-Y342 VanDerWaalsContact CD2-OH 3.32Å; L267-Y342 WeakPolarHBondContact CD2-OH 3.36Å; R338-Y342 PolarHBondContact O-N 2.8Å; F339-Y342 PolarHBondContact O-N 3.26Å; A340-Y342 VanDerWaalsContact C-N 3.33Å; A340-Y342 PolarHBondContact O-N 2.87Å; Y342-Q344 VanDerWaalsContact C-N 3.33Å; Y342-Q344 PolarHBondContact O-N 2.93Å; Y342-Q345 PolarHBondContact O-N 3.39Å; Y342-G346 PolarHBondContact O-N 3.47Å; Y342-I482 HydrophobicContact CE1-CG2 3.75Å
343F98.9Very high98.8Very high1 Ų130 Ų300%0.00415%0.154CC..Hα-helixtrans-77.2-13178.9-77.8-63.3000114.8I329 F339 A340 Q345 G346 D347 V370 I482 Y485 I489I329-F343 HydrophobicContact CD1-CB 3.67Å; I329-F343 HydrophobicContact CD1-CD2 4.4Å; I329-F343 HydrophobicContact CD1-CG 4.27Å; F339-F343 HydrophobicContact CD1-CD2 4.04Å; F339-F343 HydrophobicContact CD1-CE2 4.27Å; F339-F343 HydrophobicContact CD2-CE2 4.37Å; F339-F343 AromaticContact CE1-CD2 3.75Å; F339-F343 HydrophobicContact CE1-CD2 3.75Å; F339-F343 AromaticContact CE1-CE2 3.67Å; F339-F343 HydrophobicContact CE1-CE2 3.67Å; F339-F343 HydrophobicContact CE2-CD2 4.46Å; F339-F343 AromaticContact CE2-CE2 3.79Å; F339-F343 HydrophobicContact CE2-CE2 3.79Å; F339-F343 HydrophobicContact CZ-CD2 4Å; F339-F343 AromaticContact CZ-CE2 3.42Å; F339-F343 HydrophobicContact CZ-CE2 3.42Å; F339-F343 VanDerWaalsContact CZ-CE2 3.42Å; F339-F343 HydrophobicContact CZ-CZ 4.48Å; F339-F343 WeakPolarHBondContact O-CD2 3.38Å; F339-F343 PolarHBondContact O-N 3.28Å; A340-F343 CarbonylContact O-C 3.35Å; A340-F343 PolarHBondContact O-N 3.29Å; A340-F343 VanDerWaalsContact O-N 3.16Å; F343-Q345 VanDerWaalsContact C-N 3.32Å; F343-G346 PolarHBondContact O-N 3.39Å; F343-D347 WeakPolarHBondContact O-CB 3.37Å; F343-D347 PolarHBondContact O-N 2.84Å; F343-V370 HydrophobicContact CB-CG1 4.42Å; F343-I482 HydrophobicContact CZ-CB 4.41Å; F343-I482 HydrophobicContact CZ-CG2 3.98Å; F343-Y485 HydrophobicContact CD1-CG 4.43Å; F343-Y485 HydrophobicContact CD2-CG 4.4Å; F343-Y485 HydrophobicContact CE1-CG 4.12Å; F343-Y485 HydrophobicContact CE2-CD2 4.19Å; F343-Y485 HydrophobicContact CE2-CG 4.07Å; F343-Y485 HydrophobicContact CZ-CD2 4.31Å; F343-Y485 AromaticContact CZ-CG 3.94Å; F343-Y485 HydrophobicContact CZ-CG 3.94Å; F343-I489 HydrophobicContact CD1-CD1 3.93Å; F343-I489 HydrophobicContact CE1-CD1 4.18Å
344Q98.8Very high98.8Very high80 Ų8035.2 Ų35.237%0.37418%0.177SC..Iπ-helixtrans-57.2-49.3162.1-78.4176.9-15.500110.4A340 A341 Y342 M348 V370A340-Q344 PolarHBondContact O-N 3.27Å; A341-Q344 WeakPolarHBondContact O-CB 3.47Å; A341-Q344 PolarHBondContact O-N 3.39Å; Y342-Q344 VanDerWaalsContact C-N 3.33Å; Y342-Q344 PolarHBondContact O-N 2.93Å; Q344-M348 HydrophobicContact CB-SD 4.16Å; Q344-M348 HydrophobicContact CG-SD 4.19Å; Q344-M348 WeakPolarHBondContact O-CB 3.26Å; Q344-M348 VanDerWaalsContact O-CG 3.24Å; Q344-M348 WeakPolarHBondContact O-CG 3.45Å; Q344-M348 PolarHBondContact O-N 2.84Å; Q344-V370 HydrophobicContact CG-CB 4.31Å; Q344-V370 HydrophobicContact CG-CG1 4.31Å; Q344-V370 WeakPolarHBondContact CG-O 3.27Å; Q344-V370 PolarHBondContact NE2-O 2.93Å; Q344-V370 VanDerWaalsContact NE2-O 3.1Å
345Q98.7Very high98.8Very high22 Ų2232.9 Ų32.910%0.10317%0.17CC..Iπ-helixtrans-69.7-49.2174.3-168.7-173.621.300111.2G150 G151 L154 R264 Y342 F343 D347 E349G150-Q345 VanDerWaalsContact C-OE1 3.29Å; G151-Q345 VanDerWaalsContact N-NE2 3.17Å; L154-Q345 HydrophobicContact CD1-CB 3.75Å; L154-Q345 HydrophobicContact CD1-CG 4.45Å; R264-Q345 HydrophobicContact CB-CG 3.9Å; R264-Q345 WeakPolarHBondContact CD-O 3.43Å; Y342-Q345 PolarHBondContact O-N 3.39Å; F343-Q345 VanDerWaalsContact C-N 3.32Å; Q345-D347 VanDerWaalsContact C-N 3.32Å; Q345-D347 PolarHBondContact O-N 3.3Å; Q345-E349 HydrophobicContact CG-CB 4.21Å; Q345-E349 PolarHBondContact NE2-OE2 3.27Å; Q345-E349 WeakPolarHBondContact O-CB 3.46Å; Q345-E349 PolarHBondContact O-N 3.38Å; Q345-E349 VanDerWaalsContact O-N 3.14Å
346G98.6Very high98.7Very high2 Ų232.3 Ų32.32%0.02117%0.168CC..Iπ-helixtrans-55.1-44.8-175.400000113.3Y342 F343 S350Y342-G346 PolarHBondContact O-N 3.47Å; F343-G346 PolarHBondContact O-N 3.39Å; G346-S350 VanDerWaalsContact O-CB 3.23Å; G346-S350 WeakPolarHBondContact O-CB 3.47Å; G346-S350 PolarHBondContact O-OG 3.26Å
347D98.9Very high98.6Very high3 Ų335.5 Ų35.52%0.01618%0.18CC..Iπ-helixtrans-86.7-55.6-177.9-159.9-36.6000111.5F343 Q345 E349 S350 N351 V370 I489F343-D347 WeakPolarHBondContact O-CB 3.37Å; F343-D347 PolarHBondContact O-N 2.84Å; Q345-D347 VanDerWaalsContact C-N 3.32Å; Q345-D347 PolarHBondContact O-N 3.3Å; D347-E349 PolarHBondContact O-N 2.98Å; D347-S350 WeakPolarHBondContact O-CB 3.46Å; D347-S350 PolarHBondContact O-N 3.05Å; D347-S350 VanDerWaalsContact O-N 3.17Å; D347-N351 PolarHBondContact O-N 3.2Å; D347-V370 HydrophobicContact CB-CG2 3.68Å; D347-I489 HydrophobicContact CB-CD1 3.97Å; D347-I489 HydrophobicContact CB-CG1 4.06Å
348M98.9Very high98.4Very high68 Ų6838.1 Ų38.134%0.33519%0.192SC..Iπ-helixtrans-71.5-38.3-168.7-53.4168.959.900112.5Q344 S350 G352 P368 I369 V370Q344-M348 HydrophobicContact CB-SD 4.16Å; Q344-M348 HydrophobicContact CG-SD 4.19Å; Q344-M348 WeakPolarHBondContact O-CB 3.26Å; Q344-M348 VanDerWaalsContact O-CG 3.24Å; Q344-M348 WeakPolarHBondContact O-CG 3.45Å; Q344-M348 PolarHBondContact O-N 2.84Å; M348-S350 VanDerWaalsContact C-N 3.27Å; M348-S350 PolarHBondContact O-N 2.9Å; M348-G352 VanDerWaalsContact O-CA 3.29Å; M348-G352 WeakPolarHBondContact O-CA 3.38Å; M348-G352 PolarHBondContact O-N 3.1Å; M348-P368 WeakPolarHBondContact CG-O 3.47Å; M348-I369 HydrophobicContact CE-CG2 4.35Å; M348-V370 HydrophobicContact CG-CB 4.29Å; M348-V370 HydrophobicContact CG-CG2 4.35Å; M348-V370 HydrophobicContact SD-CB 4.25Å; M348-V370 PolarHBondContact SD-N 3.18Å
349E98.7Very high98.3Very high57 Ų5736.3 Ų36.327%0.26620%0.204SC..Iπ-helixtrans-72.1-26.1176.3-164.3-177.1-112.400111.4R264 Q345 D347 K353 Q503R264-E349 WeakPolarHBondContact CD-OE2 3.08Å; R264-E349 IonicContact CZ-OE2 2.73Å; R264-E349 IonicContact NE-OE2 3.34Å; R264-E349 IonicContact NH1-OE2 2.68Å; R264-E349 PolarHBondContact NH1-OE2 3.32Å; Q345-E349 HydrophobicContact CG-CB 4.21Å; Q345-E349 PolarHBondContact NE2-OE2 3.27Å; Q345-E349 WeakPolarHBondContact O-CB 3.46Å; Q345-E349 PolarHBondContact O-N 3.38Å; Q345-E349 VanDerWaalsContact O-N 3.14Å; D347-E349 PolarHBondContact O-N 2.98Å; E349-K353 VanDerWaalsContact O-CE 3.25Å; E349-K353 WeakPolarHBondContact O-CE 3.45Å; E349-K353 PolarHBondContact O-NZ 3.46Å; E349-Q503 HydrophobicContact CG-CB 4.04Å
350S98.9Very high98.2Very high0 Ų042.4 Ų42.40%023%0.231CC..Hα-helixtrans-75.1-56.2174.5-62.60000112R264 Y265 G346 D347 M348 K353 S500R264-S350 WeakPolarHBondContact CD-OG 3.26Å; R264-S350 PolarHBondContact NE-OG 2.97Å; Y265-S350 PolarHBondContact OH-OG 2.84Å; G346-S350 VanDerWaalsContact O-CB 3.23Å; G346-S350 WeakPolarHBondContact O-CB 3.47Å; G346-S350 PolarHBondContact O-OG 3.26Å; D347-S350 WeakPolarHBondContact O-CB 3.46Å; D347-S350 PolarHBondContact O-N 3.05Å; D347-S350 VanDerWaalsContact O-N 3.17Å; M348-S350 VanDerWaalsContact C-N 3.27Å; M348-S350 PolarHBondContact O-N 2.9Å; S350-K353 VanDerWaalsContact O-CE 3.3Å; S350-K353 WeakPolarHBondContact O-CE 3.48Å; S350-K353 VanDerWaalsContact O-CG 3.3Å; S350-K353 WeakPolarHBondContact O-CG 3.45Å; S350-K353 PolarHBondContact O-NZ 3.22Å; S350-S500 VanDerWaalsContact CA-O 3.28Å; S350-S500 WeakPolarHBondContact CA-O 3.41Å; S350-S500 VanDerWaalsContact CB-O 3.23Å; S350-S500 WeakPolarHBondContact CB-O 3.34Å; S350-S500 WeakPolarHBondContact O-CA 3.37Å; S350-S500 PolarHBondContact OG-O 3.07Å
351N98.9Very high98.2Very high0 Ų048.9 Ų48.90%026%0.26CS..Hα-helixtrans-109.5-3.2-163.8-71.5-12000114.4D347 K353 T366 G367 I489 W496 I498 S500D347-N351 PolarHBondContact O-N 3.2Å; N351-K353 PolarHBondContact O-N 2.82Å; N351-T366 WeakPolarHBondContact O-CB 3.49Å; N351-T366 PolarHBondContact O-OG1 3.11Å; N351-G367 WeakPolarHBondContact O-CA 3.24Å; N351-G367 PolarHBondContact O-N 3.31Å; N351-I489 WeakPolarHBondContact ND2-CG2 3.27Å; N351-I489 PolarHBondContact ND2-O 3.25Å; N351-W496 HydrophobicContact CB-CE3 4.24Å; N351-W496 HydrophobicContact CB-CZ3 3.78Å; N351-I498 HydrophobicContact CB-CD1 4.07Å; N351-S500 WeakPolarHBondContact OD1-CB 3.48Å; N351-S500 PolarHBondContact OD1-OG 2.82Å
352G98.8Very high98.1Very high51 Ų5149.3 Ų49.353%0.52626%0.261SS..  trans-70.664.1168.600000111.7M348M348-G352 VanDerWaalsContact O-CA 3.29Å; M348-G352 WeakPolarHBondContact O-CA 3.38Å; M348-G352 PolarHBondContact O-N 3.1Å
353K98.7Very high98Very high29 Ų2954.6 Ų54.613%0.12629%0.29CS..  trans-130.1151.8-171.2-53.1-65.5169.267.40110.5E349 S350 N351 T366 I498 N499 D502E349-K353 VanDerWaalsContact O-CE 3.25Å; E349-K353 WeakPolarHBondContact O-CE 3.45Å; E349-K353 PolarHBondContact O-NZ 3.46Å; S350-K353 VanDerWaalsContact O-CE 3.3Å; S350-K353 WeakPolarHBondContact O-CE 3.48Å; S350-K353 VanDerWaalsContact O-CG 3.3Å; S350-K353 WeakPolarHBondContact O-CG 3.45Å; S350-K353 PolarHBondContact O-NZ 3.22Å; N351-K353 PolarHBondContact O-N 2.82Å; K353-T366 WeakPolarHBondContact O-CB 3.41Å; K353-T366 VanDerWaalsContact O-CG2 3.29Å; K353-T366 WeakPolarHBondContact O-CG2 3.08Å; K353-T366 PolarHBondContact O-OG1 3.32Å; K353-I498 HydrophobicContact CB-CB 4.11Å; K353-I498 HydrophobicContact CB-CD1 3.87Å; K353-I498 HydrophobicContact CB-CG2 4.18Å; K353-I498 HydrophobicContact CG-CD1 4.07Å; K353-N499 PolarHBondContact NZ-O 3.31Å; K353-D502 PolarHBondContact NZ-O 2.87Å; K353-D502 IonicContact NZ-OD1 3.67Å; K353-D502 PolarHBondContact NZ-OD1 3.24Å
354F98.5Very high98Very high124 Ų12455.6 Ų55.654%0.54429%0.294SS..  trans-125.4-3.9179.572.8-83000113.6E361 V362F354-E361 HydrophobicContact CD2-CG 4.04Å; F354-E361 CarbonylContact O-C 3.12Å; F354-E361 VanDerWaalsContact O-CA 3.3Å; F354-E361 WeakPolarHBondContact O-CA 3.43Å; F354-V362 HydrophobicContact CB-CG2 4.17Å; F354-V362 PolarHBondContact O-N 3.02Å
355V98.6Very high97.9Very high63 Ų6355.5 Ų55.538%0.38230%0.302SS..BIsolated β-bridgetrans-111.6129.5-179.8-175.10000109.9
356R97.4Very high97.9Very high32 Ų3255.4 Ų55.412%0.12130%0.303CS..BIsolated β-bridgetrans-83.1168.8178.7-59.9-169.3-44.6-152.82.9112.4D358 G359 K360 V362 Y364 N497R356-D358 WeakPolarHBondContact CB-OD1 3.15Å; R356-D358 IonicContact CZ-OD1 3.78Å; R356-D358 IonicContact CZ-OD2 3.88Å; R356-D358 IonicContact NE-OD1 2.77Å; R356-D358 PolarHBondContact NE-OD1 2.96Å; R356-D358 IonicContact NE-OD2 3.84Å; R356-D358 IonicContact NH2-OD1 3.76Å; R356-D358 PolarHBondContact NH2-OD1 2.83Å; R356-D358 IonicContact NH2-OD2 3.34Å; R356-D358 PolarHBondContact NH2-OD2 3.34Å; R356-D358 PolarHBondContact O-N 3.17Å; R356-G359 PolarHBondContact O-N 2.9Å; R356-K360 WeakPolarHBondContact CB-O 3.23Å; R356-K360 WeakPolarHBondContact CG-O 3.22Å; R356-K360 PolarHBondContact N-O 3.18Å; R356-V362 HydrophobicContact CG-CG1 3.58Å; R356-Y364 WeakPolarHBondContact CD-OH 3.29Å; R356-N497 CarbonylContact C-O 3.51Å; R356-N497 WeakPolarHBondContact CA-O 3.27Å; R356-N497 WeakPolarHBondContact CB-O 3.23Å
357R96.1Very high97.9Very high68 Ų6856.2 Ų56.226%0.25731%0.312SS..THydrogen-bonded Turntrans-60.3-23.3175.8-157171.6-58.7-100.3-4.9114.2I82 F84 G359 N497 I498I82-R357 PolarHBondContact O-NH1 3.34Å; F84-R357 HydrophobicContact CD1-CG 3.83Å; F84-R357 HydrophobicContact CD2-CG 4.2Å; F84-R357 HydrophobicContact CE1-CB 4.09Å; F84-R357 HydrophobicContact CE1-CG 3.61Å; F84-R357 VanDerWaalsContact CE1-CZ 3.44Å; F84-R357 HydrophobicContact CE2-CB 4.33Å; F84-R357 HydrophobicContact CE2-CG 4.02Å; F84-R357 HydrophobicContact CG-CG 4.11Å; F84-R357 HydrophobicContact CZ-CB 3.85Å; F84-R357 HydrophobicContact CZ-CG 3.71Å; R357-G359 VanDerWaalsContact C-N 3.31Å; R357-N497 VanDerWaalsContact CB-OD1 3.32Å; R357-N497 WeakPolarHBondContact CB-OD1 3Å; R357-N497 PolarHBondContact N-O 3.35Å; R357-I498 PolarHBondContact NH2-O 3.19Å
358D94.9Very high97.9Very high78 Ų7856.5 Ų56.542%0.41731%0.313SS..THydrogen-bonded Turntrans-89.89.7173.971.4-23.1000113.7R356 K360R356-D358 WeakPolarHBondContact CB-OD1 3.15Å; R356-D358 IonicContact CZ-OD1 3.78Å; R356-D358 IonicContact CZ-OD2 3.88Å; R356-D358 IonicContact NE-OD1 2.77Å; R356-D358 PolarHBondContact NE-OD1 2.96Å; R356-D358 IonicContact NE-OD2 3.84Å; R356-D358 IonicContact NH2-OD1 3.76Å; R356-D358 PolarHBondContact NH2-OD1 2.83Å; R356-D358 IonicContact NH2-OD2 3.34Å; R356-D358 PolarHBondContact NH2-OD2 3.34Å; R356-D358 PolarHBondContact O-N 3.17Å; D358-K360 VanDerWaalsContact C-N 3.26Å; D358-K360 PolarHBondContact O-N 3.47Å; D358-K360 PolarHBondContact OD1-N 2.9Å
359G96.6Very high98Very high61 Ų6157.2 Ų57.263%0.62932%0.318SS*.SBendtrans77.24.717800000114.8R356 R357R356-G359 PolarHBondContact O-N 2.9Å; R357-G359 VanDerWaalsContact C-N 3.31Å
360K97.2Very high98Very high129 Ų12954.6 Ų54.656%0.56131%0.306SS*.PPolyproline II helixtrans-93.6149.3178.1-62.5-176.3-177.5174.40111.4R356 D358R356-K360 WeakPolarHBondContact CB-O 3.23Å; R356-K360 WeakPolarHBondContact CG-O 3.22Å; R356-K360 PolarHBondContact N-O 3.18Å; D358-K360 VanDerWaalsContact C-N 3.26Å; D358-K360 PolarHBondContact O-N 3.47Å; D358-K360 PolarHBondContact OD1-N 2.9Å
361E98.1Very high98Very high139 Ų13957.4 Ų57.465%0.6532%0.316SS*.BIsolated β-bridgetrans-66.3147.8170.2-179163.1-173.400111.2F354F354-E361 HydrophobicContact CD2-CG 4.04Å; F354-E361 CarbonylContact O-C 3.12Å; F354-E361 VanDerWaalsContact O-CA 3.3Å; F354-E361 WeakPolarHBondContact O-CA 3.43Å
362V97.7Very high98Very high22 Ų2258 Ų5813%0.13332%0.323CS..PPolyproline II helixtrans-76.8143.3173.4-60.80000110.8F354 R356 Y364 T366 I498F354-V362 HydrophobicContact CB-CG2 4.17Å; F354-V362 PolarHBondContact O-N 3.02Å; R356-V362 HydrophobicContact CG-CG1 3.58Å; V362-Y364 HydrophobicContact CB-CD2 4.07Å; V362-Y364 HydrophobicContact CB-CE1 4.37Å; V362-Y364 HydrophobicContact CB-CE2 3.85Å; V362-Y364 HydrophobicContact CB-CG 4.43Å; V362-Y364 HydrophobicContact CG1-CD2 4.32Å; V362-Y364 HydrophobicContact CG1-CE2 3.62Å; V362-Y364 VanDerWaalsContact CG2-O 3.29Å; V362-Y364 WeakPolarHBondContact CG2-O 3.37Å; V362-T366 HydrophobicContact CG1-CG2 4.27Å; V362-T366 HydrophobicContact CG2-CG2 4.29Å; V362-I498 HydrophobicContact CG1-CG2 4.32Å
363D97Very high98Very high118 Ų11860.2 Ų60.263%0.63132%0.319SS*.SBendtrans-108.121.1170.658.3-17.2000111.8H5H5-D363 IonicContact CD2-OD2 2.8Å; H5-D363 IonicContact CE1-OD1 2.67Å; H5-D363 PolarHBondContact CE1-OD1 3.37Å; H5-D363 IonicContact NE2-OD1 3.31Å; H5-D363 PolarHBondContact NE2-OD1 3.28Å; H5-D363 IonicContact NE2-OD2 3.28Å; H5-D363 PolarHBondContact NE2-OD2 2.89Å
364Y97.5Very high98Very high22 Ų2259 Ų599%0.08631%0.314CS..SBendtrans-141.4159.1179.248.6-100.7000110.5L4 H5 R356 V362 T366 W496L4-Y364 HydrophobicContact CD2-CD1 3.98Å; L4-Y364 HydrophobicContact CD2-CD2 3.65Å; L4-Y364 HydrophobicContact CD2-CE1 4.07Å; L4-Y364 HydrophobicContact CD2-CE2 3.75Å; L4-Y364 HydrophobicContact CD2-CG 3.77Å; H5-Y364 AromaticContact CE1-CE1 3.82Å; R356-Y364 WeakPolarHBondContact CD-OH 3.29Å; V362-Y364 HydrophobicContact CB-CD2 4.07Å; V362-Y364 HydrophobicContact CB-CE1 4.37Å; V362-Y364 HydrophobicContact CB-CE2 3.85Å; V362-Y364 HydrophobicContact CB-CG 4.43Å; V362-Y364 HydrophobicContact CG1-CD2 4.32Å; V362-Y364 HydrophobicContact CG1-CE2 3.62Å; V362-Y364 VanDerWaalsContact CG2-O 3.29Å; V362-Y364 WeakPolarHBondContact CG2-O 3.37Å; Y364-T366 HydrophobicContact CD2-CG2 4.35Å; Y364-T366 HydrophobicContact CE2-CG2 4.25Å; Y364-W496 AromaticContact CD2-CD1 3.99Å; Y364-W496 HydrophobicContact CE2-CB 4.03Å; Y364-W496 AromaticContact CE2-CD1 3.88Å; Y364-W496 HydrophobicContact CE2-CG 4.27Å; Y364-W496 PolarHBondContact OH-O 3.37Å
365S98.4Very high97.9Very high77 Ų7753.3 Ų53.354%0.53829%0.291SS..  trans-71.4148.2175.8-51.80000112.4N320 W496N320-S365 PolarHBondContact ND2-O 2.92Å; S365-W496 PolarHBondContact O-NE1 3.13Å
366T98.8Very high97.9Very high20 Ų2052.2 Ų52.212%0.12328%0.284CS..  trans-116.3-132.4179.455.70000111.3I319 N351 K353 V362 Y364 W496 I498I319-T366 WeakPolarHBondContact CG2-O 3.07Å; N351-T366 WeakPolarHBondContact O-CB 3.49Å; N351-T366 PolarHBondContact O-OG1 3.11Å; K353-T366 WeakPolarHBondContact O-CB 3.41Å; K353-T366 VanDerWaalsContact O-CG2 3.29Å; K353-T366 WeakPolarHBondContact O-CG2 3.08Å; K353-T366 PolarHBondContact O-OG1 3.32Å; V362-T366 HydrophobicContact CG1-CG2 4.27Å; V362-T366 HydrophobicContact CG2-CG2 4.29Å; Y364-T366 HydrophobicContact CD2-CG2 4.35Å; Y364-T366 HydrophobicContact CE2-CG2 4.25Å; T366-W496 HydrophobicContact CG2-CB 4.15Å; T366-W496 HydrophobicContact CG2-CD2 4.31Å; T366-W496 HydrophobicContact CG2-CG 4.1Å; T366-W496 WeakPolarHBondContact O-CH2 3.5Å; T366-W496 WeakPolarHBondContact O-CZ2 3.47Å; T366-I498 HydrophobicContact CG2-CG2 4.34Å
367G98.6Very high98Very high20 Ų2055.4 Ų55.421%0.20630%0.304CS..SBendtrans-54.3137.2-173.500000113.4N351N351-G367 WeakPolarHBondContact O-CA 3.24Å; N351-G367 PolarHBondContact O-N 3.31Å
368P98.9Very high98.1Very high8 Ų852.1 Ų52.15%0.05229%0.292CS..  trans-78.9165.5179.734.7-35.2000111.5I319 Q327 M348 V370I319-P368 HydrophobicContact CD1-CB 4.01Å; I319-P368 HydrophobicContact CD1-CG 3.98Å; I319-P368 HydrophobicContact CG1-CB 4.36Å; Q327-P368 HydrophobicContact CB-CB 4.2Å; Q327-P368 HydrophobicContact CB-CG 3.94Å; M348-P368 WeakPolarHBondContact CG-O 3.47Å; P368-V370 HydrophobicContact CG-CG2 4.32Å; P368-V370 PolarHBondContact O-N 3.14Å
369I99Very high98.2Very high84 Ų8450 Ų5043%0.43128%0.279SS..EExtended strand (participates in β ladder)trans-74.1113.2163.4-61.9165.2000108.2E325 T326 Q327 M348E325-I369 PolarHBondContact O-N 3.14Å; T326-I369 CarbonylContact C-O 3.52Å; T326-I369 WeakPolarHBondContact CA-O 3.24Å; T326-I369 WeakPolarHBondContact CB-O 3.47Å; T326-I369 HydrophobicContact CG2-CB 4.19Å; Q327-I369 PolarHBondContact N-O 2.84Å; M348-I369 HydrophobicContact CE-CG2 4.35Å
370V98.9Very high98.3Very high1 Ų155 Ų551%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-87.9136.3176.4176.50000110.4Q327 I329 F343 Q344 D347 M348 P368Q327-V370 HydrophobicContact CB-CG2 4.49Å; Q327-V370 WeakPolarHBondContact O-CA 3.4Å; I329-V370 HydrophobicContact CD1-CG1 3.67Å; I329-V370 HydrophobicContact CG1-CG1 4.16Å; F343-V370 HydrophobicContact CB-CG1 4.42Å; Q344-V370 HydrophobicContact CG-CB 4.31Å; Q344-V370 HydrophobicContact CG-CG1 4.31Å; Q344-V370 WeakPolarHBondContact CG-O 3.27Å; Q344-V370 PolarHBondContact NE2-O 2.93Å; Q344-V370 VanDerWaalsContact NE2-O 3.1Å; D347-V370 HydrophobicContact CB-CG2 3.68Å; M348-V370 HydrophobicContact CG-CB 4.29Å; M348-V370 HydrophobicContact CG-CG2 4.35Å; M348-V370 HydrophobicContact SD-CB 4.25Å; M348-V370 PolarHBondContact SD-N 3.18Å; P368-V370 HydrophobicContact CG-CG2 4.32Å; P368-V370 PolarHBondContact O-N 3.14Å
371W98.9Very high98.4Very high59 Ų5952.3 Ų52.322%0.22329%0.288CS..EExtended strand (participates in β ladder)trans-157.8171177.966.5-74.8000111.4T326 Q327 A328 I329 F382 I386 I393T326-W371 PolarHBondContact OG1-NE1 3.35Å; Q327-W371 PolarHBondContact O-N 3.32Å; Q327-W371 VanDerWaalsContact O-N 3.16Å; A328-W371 CarbonylContact C-O 3.56Å; A328-W371 VanDerWaalsContact CA-O 3.26Å; A328-W371 WeakPolarHBondContact CA-O 3.47Å; A328-W371 HydrophobicContact CB-CZ2 4.3Å; I329-W371 PolarHBondContact N-O 3.08Å; W371-F382 HydrophobicContact CE3-CE2 4.42Å; W371-F382 HydrophobicContact CH2-CB 4.45Å; W371-F382 AromaticContact CH2-CD2 3.47Å; W371-F382 HydrophobicContact CH2-CD2 3.47Å; W371-F382 VanDerWaalsContact CH2-CD2 3.47Å; W371-F382 AromaticContact CH2-CE2 3.82Å; W371-F382 HydrophobicContact CH2-CE2 3.82Å; W371-F382 HydrophobicContact CH2-CG 4.02Å; W371-F382 HydrophobicContact CZ3-CB 4.29Å; W371-F382 AromaticContact CZ3-CD1 3.98Å; W371-F382 HydrophobicContact CZ3-CD1 3.98Å; W371-F382 AromaticContact CZ3-CD2 3.33Å; W371-F382 HydrophobicContact CZ3-CD2 3.33Å; W371-F382 HydrophobicContact CZ3-CE1 4.09Å; W371-F382 AromaticContact CZ3-CE2 3.45Å; W371-F382 HydrophobicContact CZ3-CE2 3.45Å; W371-F382 VanDerWaalsContact CZ3-CE2 3.45Å; W371-F382 AromaticContact CZ3-CG 3.61Å; W371-F382 HydrophobicContact CZ3-CG 3.61Å; W371-F382 AromaticContact CZ3-CZ 3.85Å; W371-F382 HydrophobicContact CZ3-CZ 3.85Å; W371-I386 HydrophobicContact CH2-CD1 4.17Å; W371-I386 HydrophobicContact CH2-CG1 4.35Å; W371-I393 HydrophobicContact CZ2-CD1 4.18Å; W371-I393 HydrophobicContact CZ2-CG2 4.04Å
372G98.7Very high98.4Very high13 Ų1347.6 Ų47.613%0.13427%0.265CS..  trans151.3163.9173.200000113I329I329-G372 WeakPolarHBondContact O-CA 3.32Å
373E98.8Very high98.5Very high97 Ų9746.7 Ų46.745%0.45326%0.26SS..  trans-138.8158.9175.7-75.9-66.1160.200109F382E373-F382 HydrophobicContact CB-CE1 3.81Å; E373-F382 HydrophobicContact CB-CZ 4.03Å; E373-F382 HydrophobicContact CG-CE1 4.06Å
374P98.7Very high98.5Very high3 Ų346.8 Ų46.82%0.01926%0.256CS..  trans-58144.3179.8-27.837000114.5P331 N377 G378P331-P374 CarbonylContact O-C 3.59Å; P331-P374 WeakPolarHBondContact O-CA 3.43Å; P331-P374 WeakPolarHBondContact O-CB 3.42Å; P374-N377 WeakPolarHBondContact O-CB 3.41Å; P374-N377 PolarHBondContact O-N 2.83Å; P374-N377 VanDerWaalsContact O-N 3.16Å; P374-G378 PolarHBondContact O-N 3.46Å; P374-G378 VanDerWaalsContact O-N 3.11Å
375G97.9Very high98.6Very high6 Ų650 Ų506%0.06227%0.274CS..THydrogen-bonded Turntrans-74.4144.2162.100000110.6P331P331-G375 PolarHBondContact O-N 3.25Å
376T98.5Very high98.6Very high39 Ų3946.5 Ų46.524%0.23925%0.25CC..THydrogen-bonded Turncis-89.2-2.64.760.40000114Y332 G378 Q379 L416 N419Y332-T376 HydrophobicContact CD1-CG2 4.47Å; Y332-T376 HydrophobicContact CE1-CG2 4.16Å; T376-G378 VanDerWaalsContact C-N 3.28Å; T376-G378 PolarHBondContact O-N 3.1Å; T376-Q379 WeakPolarHBondContact O-CA 3.33Å; T376-Q379 WeakPolarHBondContact O-CB 3.34Å; T376-Q379 WeakPolarHBondContact O-CG 3.28Å; T376-Q379 PolarHBondContact O-N 3.48Å; T376-L416 HydrophobicContact CG2-CD1 3.93Å; T376-N419 HydrophobicContact CG2-CB 3.74Å
377N98.5Very high98.6Very high99 Ų9946.3 Ų46.353%0.52925%0.247SC..G310 helixtrans-54.3-42.1-174.2-60.742.4000112.8P374 Q379 H380 A381P374-N377 WeakPolarHBondContact O-CB 3.41Å; P374-N377 PolarHBondContact O-N 2.83Å; P374-N377 VanDerWaalsContact O-N 3.16Å; N377-Q379 PolarHBondContact O-N 2.94Å; N377-Q379 VanDerWaalsContact O-N 3.16Å; N377-H380 PolarHBondContact O-N 2.94Å; N377-A381 PolarHBondContact O-N 3.31Å
378G98.1Very high98.6Very high0 Ų048.5 Ų48.50%025%0.252CS..G310 helixtrans-55.9-30.917600000114.2P374 T376 H380 A381 F382 Y383P374-G378 PolarHBondContact O-N 3.46Å; P374-G378 VanDerWaalsContact O-N 3.11Å; T376-G378 VanDerWaalsContact C-N 3.28Å; T376-G378 PolarHBondContact O-N 3.1Å; G378-H380 PolarHBondContact O-N 2.99Å; G378-A381 PolarHBondContact O-N 2.93Å; G378-A381 VanDerWaalsContact O-N 3.13Å; G378-F382 PolarHBondContact O-N 3.42Å; G378-Y383 WeakPolarHBondContact O-CD1 3.45Å; G378-Y383 PolarHBondContact O-N 3.26Å
379Q98.5Very high98.5Very high32 Ų3249.3 Ų49.315%0.1526%0.262CS..G310 helixtrans-62.1-32.2177.4-56.5-179.930.500112.2Y332 T376 N377 Y383 N419 Q423Y332-Q379 PolarHBondContact OH-NE2 3.36Å; T376-Q379 WeakPolarHBondContact O-CA 3.33Å; T376-Q379 WeakPolarHBondContact O-CB 3.34Å; T376-Q379 WeakPolarHBondContact O-CG 3.28Å; T376-Q379 PolarHBondContact O-N 3.48Å; N377-Q379 PolarHBondContact O-N 2.94Å; N377-Q379 VanDerWaalsContact O-N 3.16Å; Q379-Y383 HydrophobicContact CB-CD2 4.23Å; Q379-Y383 HydrophobicContact CB-CG 4.41Å; Q379-Y383 HydrophobicContact CG-CD2 3.72Å; Q379-Y383 HydrophobicContact CG-CE2 3.66Å; Q379-Y383 HydrophobicContact CG-CG 4.3Å; Q379-N419 PolarHBondContact OE1-OD1 3.2Å; Q379-Q423 VanDerWaalsContact CD-NE2 3.32Å; Q379-Q423 HydrophobicContact CG-CG 4.08Å
380H98.4Very high98.5Very high166 Ų16652 Ų5277%0.76928%0.282SS*.G310 helixtrans-98.111.5-179.2-59.4-85.1000112.9N377 G378N377-H380 PolarHBondContact O-N 2.94Å; G378-H380 PolarHBondContact O-N 2.99Å
381A98.3Very high98.5Very high74 Ų7459.2 Ų59.261%0.61231%0.309SS*.THydrogen-bonded Turntrans-125.7-65.5-179.100000112.2N377 G378N377-A381 PolarHBondContact O-N 3.31Å; G378-A381 PolarHBondContact O-N 2.93Å; G378-A381 VanDerWaalsContact O-N 3.13Å
382F98.6Very high98.4Very high39 Ų3958.9 Ų58.917%0.17131%0.311CS..THydrogen-bonded Turntrans-127.4-5.1-168.753.5-105.2000114.5L330 W371 E373 G378 Q384 L385 I386L330-F382 HydrophobicContact CD2-CE2 3.87Å; L330-F382 HydrophobicContact CD2-CZ 3.96Å; W371-F382 HydrophobicContact CE3-CE2 4.42Å; W371-F382 HydrophobicContact CH2-CB 4.45Å; W371-F382 AromaticContact CH2-CD2 3.47Å; W371-F382 HydrophobicContact CH2-CD2 3.47Å; W371-F382 VanDerWaalsContact CH2-CD2 3.47Å; W371-F382 AromaticContact CH2-CE2 3.82Å; W371-F382 HydrophobicContact CH2-CE2 3.82Å; W371-F382 HydrophobicContact CH2-CG 4.02Å; W371-F382 HydrophobicContact CZ3-CB 4.29Å; W371-F382 AromaticContact CZ3-CD1 3.98Å; W371-F382 HydrophobicContact CZ3-CD1 3.98Å; W371-F382 AromaticContact CZ3-CD2 3.33Å; W371-F382 HydrophobicContact CZ3-CD2 3.33Å; W371-F382 HydrophobicContact CZ3-CE1 4.09Å; W371-F382 AromaticContact CZ3-CE2 3.45Å; W371-F382 HydrophobicContact CZ3-CE2 3.45Å; W371-F382 VanDerWaalsContact CZ3-CE2 3.45Å; W371-F382 AromaticContact CZ3-CG 3.61Å; W371-F382 HydrophobicContact CZ3-CG 3.61Å; W371-F382 AromaticContact CZ3-CZ 3.85Å; W371-F382 HydrophobicContact CZ3-CZ 3.85Å; E373-F382 HydrophobicContact CB-CE1 3.81Å; E373-F382 HydrophobicContact CB-CZ 4.03Å; E373-F382 HydrophobicContact CG-CE1 4.06Å; G378-F382 PolarHBondContact O-N 3.42Å; F382-Q384 PolarHBondContact O-N 2.92Å; F382-Q384 VanDerWaalsContact O-N 3.17Å; F382-L385 WeakPolarHBondContact O-CB 3.46Å; F382-L385 PolarHBondContact O-N 3.41Å; F382-I386 HydrophobicContact CD2-CD1 3.84Å; F382-I386 HydrophobicContact CD2-CG1 4.45Å; F382-I386 HydrophobicContact CE2-CD1 4.03Å; F382-I386 PolarHBondContact O-N 3.13Å
383Y98.6Very high98.4Very high4 Ų458.7 Ų58.72%0.01631%0.307CS..Hα-helixtrans-63.8-22.3177.7-82.338.1000112.5L330 G378 Q379 L385 I386 H387 F397 Q423L330-Y383 HydrophobicContact CD1-CE1 3.96Å; L330-Y383 WeakPolarHBondContact CD1-OH 3.31Å; L330-Y383 HydrophobicContact CD2-CE1 4.24Å; G378-Y383 WeakPolarHBondContact O-CD1 3.45Å; G378-Y383 PolarHBondContact O-N 3.26Å; Q379-Y383 HydrophobicContact CB-CD2 4.23Å; Q379-Y383 HydrophobicContact CB-CG 4.41Å; Q379-Y383 HydrophobicContact CG-CD2 3.72Å; Q379-Y383 HydrophobicContact CG-CE2 3.66Å; Q379-Y383 HydrophobicContact CG-CG 4.3Å; Y383-L385 VanDerWaalsContact C-N 3.26Å; Y383-L385 PolarHBondContact O-N 2.99Å; Y383-I386 HydrophobicContact CD1-CD1 3.81Å; Y383-I386 HydrophobicContact CE1-CD1 4.14Å; Y383-I386 HydrophobicContact CG-CD1 4.32Å; Y383-I386 PolarHBondContact O-N 3.45Å; Y383-I386 VanDerWaalsContact O-N 3.17Å; Y383-H387 WeakPolarHBondContact O-CB 3.22Å; Y383-H387 PolarHBondContact O-CD2 3.49Å; Y383-H387 VanDerWaalsContact O-CD2 3.31Å; Y383-H387 PolarHBondContact O-N 3.4Å; Y383-F397 AromaticContact CE2-CE1 3.98Å; Y383-F397 HydrophobicContact CE2-CE1 3.98Å; Y383-F397 AromaticContact CE2-CZ 3.93Å; Y383-F397 HydrophobicContact CE2-CZ 3.93Å; Y383-F397 WeakPolarHBondContact OH-CE1 3.41Å; Y383-Q423 HydrophobicContact CD2-CG 4.3Å; Y383-Q423 HydrophobicContact CE2-CB 4.18Å; Y383-Q423 HydrophobicContact CE2-CG 3.97Å
384Q98.6Very high98.4Very high119 Ų11954.2 Ų54.256%0.55629%0.287SS*.Hα-helixtrans-52-46.6167.9175.858.938.900111.6F382 Q388F382-Q384 PolarHBondContact O-N 2.92Å; F382-Q384 VanDerWaalsContact O-N 3.17Å; Q384-Q388 PolarHBondContact O-N 3.47Å
385L98.7Very high98.4Very high90 Ų9054.1 Ų54.147%0.47129%0.286SS..Hα-helixtrans-69-40.7177.9-176151.4000111F382 Y383 H387 G389 I393F382-L385 WeakPolarHBondContact O-CB 3.46Å; F382-L385 PolarHBondContact O-N 3.41Å; Y383-L385 VanDerWaalsContact C-N 3.26Å; Y383-L385 PolarHBondContact O-N 2.99Å; L385-H387 VanDerWaalsContact C-N 3.34Å; L385-H387 PolarHBondContact O-N 3.28Å; L385-G389 WeakPolarHBondContact O-CA 3.48Å; L385-G389 PolarHBondContact O-N 3.25Å; L385-I393 HydrophobicContact CD2-CD1 3.5Å
386I98.7Very high98.5Very high4 Ų453.9 Ų53.92%0.02128%0.283CS..Hα-helixtrans-59.6-48.2177-56.3178.6000109.6L330 W371 F382 Y383 I393 L427 R463L330-I386 HydrophobicContact CD1-CD1 4.43Å; W371-I386 HydrophobicContact CH2-CD1 4.17Å; W371-I386 HydrophobicContact CH2-CG1 4.35Å; F382-I386 HydrophobicContact CD2-CD1 3.84Å; F382-I386 HydrophobicContact CD2-CG1 4.45Å; F382-I386 HydrophobicContact CE2-CD1 4.03Å; F382-I386 PolarHBondContact O-N 3.13Å; Y383-I386 HydrophobicContact CD1-CD1 3.81Å; Y383-I386 HydrophobicContact CE1-CD1 4.14Å; Y383-I386 HydrophobicContact CG-CD1 4.32Å; Y383-I386 PolarHBondContact O-N 3.45Å; Y383-I386 VanDerWaalsContact O-N 3.17Å; I386-I393 HydrophobicContact CG1-CD1 4.13Å; I386-L427 HydrophobicContact CG2-CD2 3.61Å; I386-R463 WeakPolarHBondContact O-CD 3.42Å; I386-R463 PolarHBondContact O-NE 2.9Å
387H98.7Very high98.5Very high15 Ų1552 Ų527%0.06927%0.272CS..Hα-helixtrans-77.6-35.7-175-83.8-68000115.7Y383 L385 Q423 L427 F459 R463Y383-H387 WeakPolarHBondContact O-CB 3.22Å; Y383-H387 PolarHBondContact O-CD2 3.49Å; Y383-H387 VanDerWaalsContact O-CD2 3.31Å; Y383-H387 PolarHBondContact O-N 3.4Å; L385-H387 VanDerWaalsContact C-N 3.34Å; L385-H387 PolarHBondContact O-N 3.28Å; H387-Q423 PolarHBondContact NE2-OE1 3.31Å; H387-L427 VanDerWaalsContact CE1-CD2 3.43Å; H387-L427 WeakPolarHBondContact CE1-CD2 3.45Å; H387-F459 HydrophobicContact CB-CD1 3.94Å; H387-F459 HydrophobicContact CB-CE1 3.92Å; H387-R463 PolarHBondContact O-NE 3.47Å; H387-R463 PolarHBondContact O-NH1 2.98Å; H387-R463 PolarHBondContact O-NH2 2.86Å
388Q98.4Very high98.5Very high67 Ų6747.3 Ų47.331%0.31325%0.247SC..Hα-helixtrans-130.3-1.8-172.1-64.6-169.3-59.700113.9Q384 H456 S458 F459Q384-Q388 PolarHBondContact O-N 3.47Å; Q388-H456 PolarHBondContact NE2-O 3.14Å; Q388-S458 PolarHBondContact NE2-O 3.23Å; Q388-F459 HydrophobicContact CG-CD1 3.95Å; Q388-F459 HydrophobicContact CG-CE1 3.87Å; Q388-F459 HydrophobicContact CG-CZ 4.47Å
389G98Very high98.6Very high24 Ų2447.3 Ų47.325%0.24725%0.247CC..SBendtrans-71.4-179.3171.400000113.2L385L385-G389 WeakPolarHBondContact O-CA 3.48Å; L385-G389 PolarHBondContact O-N 3.25Å
390T97.9Very high98.6Very high140 Ų14045.9 Ų45.986%0.85924%0.24SC*.SBendtrans-99.31.3-175.755.30000113.8
391R98Very high98.6Very high154 Ų15441 Ų4158%0.58122%0.222SC*.  trans-98142.6-178.1-57.6-62.8-176.9164.41110.6E325 I393E325-R391 IonicContact OE1-NH1 2.77Å; R391-I393 HydrophobicContact CB-CD1 4.15Å; R391-I393 HydrophobicContact CB-CG1 4.12Å
392L98.3Very high98.6Very high51 Ų5142.5 Ų42.527%0.26722%0.216SC..  trans-89.3120.1166.6-178.371.3000108.5Y318 Y322 P464Y318-L392 HydrophobicContact CD1-CD2 4.34Å; Y322-L392 HydrophobicContact CD1-CD2 4.03Å; Y322-L392 HydrophobicContact CG-CD2 4.03Å; L392-P464 HydrophobicContact CD1-CG 4.21Å
393I98.9Very high98.7Very high9 Ų942.3 Ų42.35%0.04622%0.218CC..  trans-128.1102.1-175.7-59.9159.6000107.5A328 W371 L385 I386 R391 C395A328-I393 HydrophobicContact CB-CG2 3.94Å; W371-I393 HydrophobicContact CZ2-CD1 4.18Å; W371-I393 HydrophobicContact CZ2-CG2 4.04Å; L385-I393 HydrophobicContact CD2-CD1 3.5Å; I386-I393 HydrophobicContact CG1-CD1 4.13Å; R391-I393 HydrophobicContact CB-CD1 4.15Å; R391-I393 HydrophobicContact CB-CG1 4.12Å; I393-C395 PolarHBondContact O-SG 2.78Å; I393-C395 VanDerWaalsContact O-SG 3.4Å
394P98.9Very high98.7Very high4 Ų443.6 Ų43.63%0.02622%0.224CC..  trans-61.1134.6165.8-20.132.4000110.3Y318 A324 T326 A328Y318-P394 VanDerWaalsContact CB-CG 3.49Å; Y318-P394 HydrophobicContact CD1-CG 4.13Å; Y318-P394 HydrophobicContact CD2-CB 3.77Å; Y318-P394 HydrophobicContact CD2-CG 3.55Å; Y318-P394 HydrophobicContact CE2-CB 4.23Å; Y318-P394 HydrophobicContact CE2-CG 4.32Å; Y318-P394 HydrophobicContact CG-CB 4.2Å; Y318-P394 HydrophobicContact CG-CG 3.45Å; Y318-P394 VanDerWaalsContact CG-CG 3.45Å; A324-P394 HydrophobicContact CB-CG 3.98Å; T326-P394 WeakPolarHBondContact O-CD 3.28Å; A328-P394 PolarHBondContact N-O 2.9Å
395C99Very high98.7Very high1 Ų141.9 Ų41.91%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-124.6129.6-177.3-60.30000111.4A328 L330 I393 F397 P464 S465 N466A328-C395 HydrophobicContact CB-CB 4.37Å; A328-C395 WeakPolarHBondContact O-CA 3.19Å; L330-C395 HydrophobicContact CD1-CB 3.89Å; I393-C395 PolarHBondContact O-SG 2.78Å; I393-C395 VanDerWaalsContact O-SG 3.4Å; C395-F397 HydrophobicContact CB-CD2 3.81Å; C395-F397 HydrophobicContact CB-CE2 3.48Å; C395-F397 VanDerWaalsContact CB-CE2 3.48Å; C395-P464 PolarHBondContact N-O 2.84Å; C395-S465 CarbonylContact O-C 3.52Å; C395-S465 WeakPolarHBondContact O-CA 3.47Å; C395-N466 PolarHBondContact O-N 3.27Å
396D99Very high98.6Very high0 Ų041.7 Ų41.70%022%0.223CC..EExtended strand (participates in β ladder)trans-95.6109.6165.9-65.4-19.8000108Q327 A328 L330 L398 N466 I468 Y485 K488Q327-D396 PolarHBondContact NE2-OD1 3.38Å; Q327-D396 PolarHBondContact NE2-OD2 2.99Å; Q327-D396 VanDerWaalsContact NE2-OD2 3.1Å; A328-D396 PolarHBondContact O-N 3.37Å; L330-D396 PolarHBondContact N-O 2.78Å; D396-L398 HydrophobicContact CB-CD1 4.32Å; D396-L398 VanDerWaalsContact O-CD1 3.31Å; D396-L398 WeakPolarHBondContact O-CD1 3.35Å; D396-N466 WeakPolarHBondContact OD1-CB 3.46Å; D396-N466 PolarHBondContact OD1-ND2 2.88Å; D396-I468 HydrophobicContact CB-CD1 4.33Å; D396-Y485 VanDerWaalsContact CB-OH 3.24Å; D396-Y485 WeakPolarHBondContact CB-OH 3.42Å; D396-Y485 PolarHBondContact OD2-OH 3.21Å; D396-Y485 VanDerWaalsContact OD2-OH 3.14Å; D396-K488 IonicContact OD2-NZ 3.59Å; D396-K488 PolarHBondContact OD2-NZ 2.99Å
397F99Very high98.6Very high1 Ų145.2 Ų45.20%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-91.6128.6172.9-77.3-110.7000108.9L330 Y332 Y383 C395 F420 Q423 T424 L427 N466 I468L330-F397 HydrophobicContact CD1-CD2 4.37Å; L330-F397 HydrophobicContact CD1-CE1 4.41Å; L330-F397 HydrophobicContact CD1-CE2 3.85Å; L330-F397 HydrophobicContact CD1-CZ 3.86Å; Y332-F397 HydrophobicContact CD2-CD1 4.11Å; Y332-F397 AromaticContact CE2-CD1 3.4Å; Y332-F397 HydrophobicContact CE2-CD1 3.4Å; Y332-F397 VanDerWaalsContact CE2-CD1 3.4Å; Y332-F397 AromaticContact CE2-CE1 3.61Å; Y332-F397 HydrophobicContact CE2-CE1 3.61Å; Y332-F397 AromaticContact CZ-CD1 3.99Å; Y332-F397 AromaticContact CZ-CE1 3.91Å; Y332-F397 WeakPolarHBondContact OH-CE1 3.32Å; Y383-F397 AromaticContact CE2-CE1 3.98Å; Y383-F397 HydrophobicContact CE2-CE1 3.98Å; Y383-F397 AromaticContact CE2-CZ 3.93Å; Y383-F397 HydrophobicContact CE2-CZ 3.93Å; Y383-F397 WeakPolarHBondContact OH-CE1 3.41Å; C395-F397 HydrophobicContact CB-CD2 3.81Å; C395-F397 HydrophobicContact CB-CE2 3.48Å; C395-F397 VanDerWaalsContact CB-CE2 3.48Å; F397-F420 HydrophobicContact CB-CD2 4.13Å; F397-F420 HydrophobicContact CB-CE2 3.53Å; F397-F420 HydrophobicContact CB-CZ 4.11Å; F397-F420 HydrophobicContact CD1-CD2 4.39Å; F397-Q423 HydrophobicContact CE1-CB 3.79Å; F397-Q423 HydrophobicContact CZ-CB 4.18Å; F397-T424 HydrophobicContact CB-CG2 4.05Å; F397-T424 HydrophobicContact CD1-CG2 3.83Å; F397-T424 HydrophobicContact CD2-CG2 3.65Å; F397-T424 HydrophobicContact CE1-CG2 4.14Å; F397-T424 HydrophobicContact CE2-CG2 3.96Å; F397-T424 HydrophobicContact CG-CG2 3.58Å; F397-T424 HydrophobicContact CZ-CG2 4.21Å; F397-L427 HydrophobicContact CE2-CD1 3.79Å; F397-L427 HydrophobicContact CZ-CD1 3.84Å; F397-N466 PolarHBondContact N-O 3.27Å; F397-I468 PolarHBondContact O-N 3.38Å
398L99Very high98.6Very high0 Ų051 Ų510%027%0.272CS..EExtended strand (participates in β ladder)trans-123.5136.4-177.4-55.895.6000111.2I329 L330 P331 Y332 M336 F339 D396 I468 F470 Y485I329-L398 HydrophobicContact CG2-CD1 3.74Å; L330-L398 PolarHBondContact O-N 3.5Å; P331-L398 CarbonylContact C-O 3.52Å; P331-L398 WeakPolarHBondContact CA-O 3.22Å; P331-L398 HydrophobicContact CB-CB 4.35Å; Y332-L398 PolarHBondContact N-O 3.36Å; M336-L398 HydrophobicContact CE-CD2 4.39Å; F339-L398 HydrophobicContact CE1-CD2 3.98Å; F339-L398 HydrophobicContact CZ-CD2 4.42Å; D396-L398 HydrophobicContact CB-CD1 4.32Å; D396-L398 VanDerWaalsContact O-CD1 3.31Å; D396-L398 WeakPolarHBondContact O-CD1 3.35Å; L398-I468 VanDerWaalsContact CA-O 3.29Å; L398-I468 WeakPolarHBondContact CA-O 3.32Å; L398-I468 HydrophobicContact CD2-CB 4.29Å; L398-I468 HydrophobicContact CD2-CD1 4.05Å; L398-I468 HydrophobicContact CD2-CG2 4.3Å; L398-I468 HydrophobicContact CG-CB 4.1Å; L398-I468 HydrophobicContact CG-CD1 4.16Å; L398-F470 HydrophobicContact CB-CE1 4.18Å; L398-Y485 HydrophobicContact CD2-CE2 4.09Å
399I98.9Very high98.5Very high0 Ų051.8 Ų51.80%030%0.298CS..EExtended strand (participates in β ladder)trans-154.4139.9176.9-164.1165.9000113.2Y332 L416 L417 F420 I468 V469 F470Y332-I399 HydrophobicContact CG-CD1 4.46Å; I399-L416 HydrophobicContact CD1-CD2 4.44Å; I399-L416 HydrophobicContact CD1-CG 4.09Å; I399-L417 HydrophobicContact CD1-CD2 3.73Å; I399-L417 HydrophobicContact CD1-CG 4.2Å; I399-L417 HydrophobicContact CG1-CD2 4.31Å; I399-L417 HydrophobicContact CG2-CD2 4.48Å; I399-F420 HydrophobicContact CB-CD2 3.62Å; I399-F420 HydrophobicContact CB-CE2 3.68Å; I399-F420 HydrophobicContact CB-CG 4.13Å; I399-F420 HydrophobicContact CB-CZ 4.28Å; I399-F420 HydrophobicContact CD1-CB 3.68Å; I399-F420 HydrophobicContact CD1-CD2 4.1Å; I399-F420 HydrophobicContact CD1-CG 3.93Å; I399-F420 HydrophobicContact CG1-CD2 4.44Å; I399-F420 HydrophobicContact CG2-CD1 3.82Å; I399-F420 HydrophobicContact CG2-CD2 3.6Å; I399-F420 HydrophobicContact CG2-CE1 3.71Å; I399-F420 HydrophobicContact CG2-CE2 3.42Å; I399-F420 VanDerWaalsContact CG2-CE2 3.42Å; I399-F420 HydrophobicContact CG2-CG 3.78Å; I399-F420 HydrophobicContact CG2-CZ 3.5Å; I399-I468 PolarHBondContact N-O 2.95Å; I399-V469 HydrophobicContact CG2-CB 4.48Å; I399-V469 HydrophobicContact CG2-CG1 4.19Å; I399-V469 HydrophobicContact CG2-CG2 4.07Å; I399-V469 WeakPolarHBondContact O-CA 3.35Å; I399-F470 PolarHBondContact O-N 2.93Å
400P98.9Very high98.5Very high1 Ų151.5 Ų51.51%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-77.2138.7165.528.7-31.8000112.3D333 H413 F470D333-P400 HydrophobicContact CB-CG 4.45Å; P400-H413 PolarHBondContact O-CE1 3.33Å; P400-H413 VanDerWaalsContact O-CE1 3.25Å; P400-H413 PolarHBondContact O-NE2 3.43Å; P400-F470 CarbonylContact C-O 3.57Å; P400-F470 VanDerWaalsContact CA-O 3.22Å; P400-F470 WeakPolarHBondContact CA-O 3.46Å; P400-F470 HydrophobicContact CB-CD2 4.01Å; P400-F470 HydrophobicContact CB-CE2 3.61Å; P400-F470 HydrophobicContact CB-CZ 4.37Å; P400-F470 HydrophobicContact CG-CE2 4.2Å
401V98.9Very high98.6Very high63 Ų6348.4 Ų48.438%0.38227%0.272SS..EExtended strand (participates in β ladder)trans-64.7-44.3171.3177.10000110.4H413 V469 F470 T471V401-H413 PolarHBondContact O-CD2 2.86Å; V401-H413 VanDerWaalsContact O-CD2 3.22Å; V401-H413 PolarHBondContact O-NE2 2.98Å; V401-V469 HydrophobicContact CG2-CG1 3.58Å; V401-F470 PolarHBondContact N-O 3.06Å; V401-T471 PolarHBondContact N-O 3.19Å
402H98.7Very high98.6Very high107 Ų10746 Ų4650%0.49527%0.268SS..EExtended strand (participates in β ladder)trans-104.5121.5177.7-58.2-56.3000111.5T471 K472H402-T471 PolarHBondContact CD2-O 3.46Å; H402-T471 VanDerWaalsContact CD2-O 3.27Å; H402-T471 PolarHBondContact N-O 3.36Å; H402-K472 HydrophobicContact CB-CB 4.28Å; H402-K472 HydrophobicContact CB-CD 4.26Å; H402-K472 HydrophobicContact CB-CG 4.38Å
403T98.8Very high98.6Very high35 Ų3544.5 Ų44.522%0.21526%0.259CS..  trans-69.2153.7169.5-176.70000112.1N405 P406 H413T403-N405 VanDerWaalsContact C-N 3.31Å; T403-N405 PolarHBondContact OG1-N 3.02Å; T403-N405 PolarHBondContact OG1-O 3.32Å; T403-P406 HydrophobicContact CG2-CB 4.07Å; T403-H413 WeakPolarHBondContact CB-ND1 3.09Å; T403-H413 HydrophobicContact CG2-CB 3.78Å
404H98.7Very high98.6Very high30 Ų3050.6 Ų50.614%0.13929%0.287CS..SBendtrans-75.5-21.6165-68.3-67.8000112.8P165 Y166 Y335 K472 L473P165-H404 HydrophobicContact CB-CB 4.25Å; P165-H404 HydrophobicContact CG-CB 3.9Å; Y166-H404 AromaticContact CE2-CE1 3.55Å; Y166-H404 AromaticContact CZ-CE1 3.77Å; Y166-H404 PolarHBondContact OH-CE1 2.67Å; Y335-H404 HydrophobicContact CE2-CB 4.24Å; H404-K472 WeakPolarHBondContact CE1-CE 3.37Å; H404-K472 WeakPolarHBondContact ND1-CE 3.36Å; H404-L473 PolarHBondContact CE1-O 2.84Å; H404-L473 VanDerWaalsContact CE1-O 3.28Å; H404-L473 PolarHBondContact NE2-O 2.77Å
405N98.6Very high98.6Very high83 Ų8354.5 Ų54.544%0.44431%0.307SS..  trans-126.682.5-173.4-57.4-65.7000110.7Y335 T403 V407Y335-N405 PolarHBondContact OH-ND2 3.45Å; T403-N405 VanDerWaalsContact C-N 3.31Å; T403-N405 PolarHBondContact OG1-N 3.02Å; T403-N405 PolarHBondContact OG1-O 3.32Å; N405-V407 HydrophobicContact CB-CG2 4.25Å; N405-V407 PolarHBondContact O-N 2.57Å
406P98.1Very high98.6Very high87 Ų8756.2 Ų56.257%0.56532%0.316SS*.  trans-77.156-179.533.6-36.7000112.2T403 G409 G410T403-P406 HydrophobicContact CG2-CB 4.07Å; P406-G409 PolarHBondContact O-N 3.13Å; P406-G410 PolarHBondContact O-N 3.45Å
407V98.3Very high98.6Very high78 Ų7858.6 Ų58.647%0.47333%0.328SS..G310 helixtrans-60.8142-179.1177.90000110.3N405 G409 G410N405-V407 HydrophobicContact CB-CG2 4.25Å; N405-V407 PolarHBondContact O-N 2.57Å; V407-G409 VanDerWaalsContact C-N 3.27Å; V407-G409 PolarHBondContact O-N 2.96Å; V407-G410 PolarHBondContact O-N 2.85Å
408Q98.1Very high98.6Very high137 Ų13761.5 Ų61.564%0.6435%0.349SS*.G310 helixtrans5244.3-176.1-65.9177.4-1.300112.5G410 L411Q408-G410 PolarHBondContact O-N 3.14Å; Q408-L411 HydrophobicContact CB-CB 4.2Å; Q408-L411 PolarHBondContact O-N 3.06Å
409G97.1Very high98.6Very high83 Ų8363.6 Ų63.686%0.85636%0.36SS*.G310 helixtrans68.216.2179.200000114.4P406 V407P406-G409 PolarHBondContact O-N 3.13Å; V407-G409 VanDerWaalsContact C-N 3.27Å; V407-G409 PolarHBondContact O-N 2.96Å
410G98.3Very high98.6Very high17 Ų1763.8 Ų63.818%0.17536%0.361CS..G310 helixtrans100.1-1.8-179.300000114.9P406 V407 Q408 H412 H413 E414P406-G410 PolarHBondContact O-N 3.45Å; V407-G410 PolarHBondContact O-N 2.85Å; Q408-G410 PolarHBondContact O-N 3.14Å; G410-H412 VanDerWaalsContact C-N 3.26Å; G410-H412 PolarHBondContact O-N 3.05Å; G410-H413 PolarHBondContact O-N 3.08Å; G410-E414 PolarHBondContact O-N 3.49Å
411L98.7Very high98.6Very high75 Ų7568.8 Ų68.839%0.39339%0.387SS..Hα-helixtrans-51.7-43.3-179.1177.761.2000112.9Q408 H413 E414 I415Q408-L411 HydrophobicContact CB-CB 4.2Å; Q408-L411 PolarHBondContact O-N 3.06Å; L411-H413 VanDerWaalsContact C-N 3.29Å; L411-H413 PolarHBondContact O-N 3.45Å; L411-E414 PolarHBondContact O-N 3.24Å; L411-I415 HydrophobicContact CD1-CD1 3.99Å; L411-I415 HydrophobicContact CD1-CG1 4.26Å; L411-I415 HydrophobicContact CG-CD1 4.02Å; L411-I415 WeakPolarHBondContact O-CG1 3.48Å; L411-I415 PolarHBondContact O-N 3.15Å
412H98.8Very high98.6Very high105 Ų10567.9 Ų67.949%0.48639%0.386SS..Hα-helixtrans-59.2-40.9177.7-77.1-109.2000112.3G410 L416G410-H412 VanDerWaalsContact C-N 3.26Å; G410-H412 PolarHBondContact O-N 3.05Å; H412-L416 WeakPolarHBondContact O-CB 3.19Å; H412-L416 PolarHBondContact O-N 3.02Å
413H98.8Very high98.6Very high18 Ų1864.2 Ų64.28%0.08337%0.369CS..Hα-helixtrans-76.7-32.8-178.9-157.859.9000112.1P400 V401 T403 G410 L411 L416 L417P400-H413 PolarHBondContact O-CE1 3.33Å; P400-H413 VanDerWaalsContact O-CE1 3.25Å; P400-H413 PolarHBondContact O-NE2 3.43Å; V401-H413 PolarHBondContact O-CD2 2.86Å; V401-H413 VanDerWaalsContact O-CD2 3.22Å; V401-H413 PolarHBondContact O-NE2 2.98Å; T403-H413 WeakPolarHBondContact CB-ND1 3.09Å; T403-H413 HydrophobicContact CG2-CB 3.78Å; G410-H413 PolarHBondContact O-N 3.08Å; L411-H413 VanDerWaalsContact C-N 3.29Å; L411-H413 PolarHBondContact O-N 3.45Å; H413-L416 PolarHBondContact O-N 2.83Å; H413-L417 WeakPolarHBondContact O-CB 3.18Å; H413-L417 WeakPolarHBondContact O-CD1 2.99Å; H413-L417 VanDerWaalsContact O-CG 3.28Å; H413-L417 WeakPolarHBondContact O-CG 3.37Å; H413-L417 PolarHBondContact O-N 3.08Å
414E98.7Very high98.6Very high137 Ų13762.6 Ų62.664%0.6436%0.359SS*.Hα-helixtrans-60.3-47.7170.9-173.3-178.7120.600111.1G410 L411 L416 L417 S418G410-E414 PolarHBondContact O-N 3.49Å; L411-E414 PolarHBondContact O-N 3.24Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 2.92Å; E414-L417 PolarHBondContact O-N 2.94Å; E414-S418 PolarHBondContact O-N 2.82Å
415I98.9Very high98.6Very high87 Ų8766.6 Ų66.645%0.44638%0.378SS..Hα-helixtrans-62.4-41.7175.8-66.2168.8000110.6L411 S418 N419L411-I415 HydrophobicContact CD1-CD1 3.99Å; L411-I415 HydrophobicContact CD1-CG1 4.26Å; L411-I415 HydrophobicContact CG-CD1 4.02Å; L411-I415 WeakPolarHBondContact O-CG1 3.48Å; L411-I415 PolarHBondContact O-N 3.15Å; I415-S418 PolarHBondContact O-N 2.68Å; I415-S418 PolarHBondContact O-OG 2.83Å; I415-N419 PolarHBondContact O-N 2.9Å; I415-N419 PolarHBondContact O-ND2 3.17Å
416L98.8Very high98.6Very high36 Ų3664.3 Ų64.319%0.18837%0.371CS..Hα-helixtrans-61.6-46.5177.4-173.965000112Y332 T376 I399 H412 H413 E414 N419 F420Y332-L416 HydrophobicContact CD1-CD1 3.75Å; Y332-L416 HydrophobicContact CD1-CG 4.33Å; Y332-L416 HydrophobicContact CG-CD1 4.38Å; Y332-L416 WeakPolarHBondContact O-CD2 3.45Å; T376-L416 HydrophobicContact CG2-CD1 3.93Å; I399-L416 HydrophobicContact CD1-CD2 4.44Å; I399-L416 HydrophobicContact CD1-CG 4.09Å; H412-L416 WeakPolarHBondContact O-CB 3.19Å; H412-L416 PolarHBondContact O-N 3.02Å; H413-L416 PolarHBondContact O-N 2.83Å; E414-L416 VanDerWaalsContact C-N 3.33Å; E414-L416 PolarHBondContact O-N 2.92Å; L416-N419 PolarHBondContact O-N 3.37Å; L416-F420 PolarHBondContact O-N 3.04Å
417L98.9Very high98.6Very high51 Ų5160.3 Ų60.327%0.26735%0.345SS..Hα-helixtrans-61.1-44175.6-75.2163.1000111.4I399 H413 E414 N419 F420 L421I399-L417 HydrophobicContact CD1-CD2 3.73Å; I399-L417 HydrophobicContact CD1-CG 4.2Å; I399-L417 HydrophobicContact CG1-CD2 4.31Å; I399-L417 HydrophobicContact CG2-CD2 4.48Å; H413-L417 WeakPolarHBondContact O-CB 3.18Å; H413-L417 WeakPolarHBondContact O-CD1 2.99Å; H413-L417 VanDerWaalsContact O-CG 3.28Å; H413-L417 WeakPolarHBondContact O-CG 3.37Å; H413-L417 PolarHBondContact O-N 3.08Å; E414-L417 PolarHBondContact O-N 2.94Å; L417-N419 VanDerWaalsContact C-N 3.27Å; L417-N419 PolarHBondContact O-N 2.96Å; L417-F420 WeakPolarHBondContact O-CB 3.29Å; L417-F420 PolarHBondContact O-N 3.13Å; L417-L421 WeakPolarHBondContact O-CG 3.13Å; L417-L421 PolarHBondContact O-N 3.43Å
418S98.8Very high98.7Very high62 Ų6257.6 Ų57.643%0.43433%0.327SS..Hα-helixtrans-58.9-41.1177.375.80000111.7E414 I415 A422E414-S418 PolarHBondContact O-N 2.82Å; I415-S418 PolarHBondContact O-N 2.68Å; I415-S418 PolarHBondContact O-OG 2.83Å; S418-A422 WeakPolarHBondContact O-CB 3.06Å; S418-A422 PolarHBondContact O-N 3.29Å
419N98.9Very high98.7Very high44 Ų4453.3 Ų53.324%0.23531%0.31CS..Hα-helixtrans-70.8-37.6177.8-86.6-84.3000112.8Y332 T376 Q379 I415 L416 L417 Q423Y332-N419 HydrophobicContact CE1-CB 4.08Å; T376-N419 HydrophobicContact CG2-CB 3.74Å; Q379-N419 PolarHBondContact OE1-OD1 3.2Å; I415-N419 PolarHBondContact O-N 2.9Å; I415-N419 PolarHBondContact O-ND2 3.17Å; L416-N419 PolarHBondContact O-N 3.37Å; L417-N419 VanDerWaalsContact C-N 3.27Å; L417-N419 PolarHBondContact O-N 2.96Å; N419-Q423 WeakPolarHBondContact O-CB 3.36Å; N419-Q423 VanDerWaalsContact O-CG 3.22Å; N419-Q423 WeakPolarHBondContact O-CG 3.5Å; N419-Q423 PolarHBondContact O-N 3.47Å; N419-Q423 VanDerWaalsContact O-N 3.1Å
420F98.9Very high98.7Very high3 Ų350.1 Ų50.11%0.01328%0.278CS..Hα-helixtrans-59.3-49.1174.1171.1-88.5000110.8Y332 F397 I399 L416 L417 V469Y332-F420 HydrophobicContact CD1-CB 3.62Å; Y332-F420 HydrophobicContact CD1-CD2 4.33Å; Y332-F420 AromaticContact CD2-CD2 3.98Å; Y332-F420 HydrophobicContact CD2-CD2 3.98Å; Y332-F420 HydrophobicContact CE1-CB 3.88Å; Y332-F420 VanDerWaalsContact CE1-N 3.32Å; Y332-F420 HydrophobicContact CG-CB 4.06Å; Y332-F420 AromaticContact CG-CD2 3.9Å; Y332-F420 HydrophobicContact CG-CD2 3.9Å; Y332-F420 HydrophobicContact CG-CG 4.5Å; F397-F420 HydrophobicContact CB-CD2 4.13Å; F397-F420 HydrophobicContact CB-CE2 3.53Å; F397-F420 HydrophobicContact CB-CZ 4.11Å; F397-F420 HydrophobicContact CD1-CD2 4.39Å; I399-F420 HydrophobicContact CB-CD2 3.62Å; I399-F420 HydrophobicContact CB-CE2 3.68Å; I399-F420 HydrophobicContact CB-CG 4.13Å; I399-F420 HydrophobicContact CB-CZ 4.28Å; I399-F420 HydrophobicContact CD1-CB 3.68Å; I399-F420 HydrophobicContact CD1-CD2 4.1Å; I399-F420 HydrophobicContact CD1-CG 3.93Å; I399-F420 HydrophobicContact CG1-CD2 4.44Å; I399-F420 HydrophobicContact CG2-CD1 3.82Å; I399-F420 HydrophobicContact CG2-CD2 3.6Å; I399-F420 HydrophobicContact CG2-CE1 3.71Å; I399-F420 HydrophobicContact CG2-CE2 3.42Å; I399-F420 VanDerWaalsContact CG2-CE2 3.42Å; I399-F420 HydrophobicContact CG2-CG 3.78Å; I399-F420 HydrophobicContact CG2-CZ 3.5Å; L416-F420 PolarHBondContact O-N 3.04Å; L417-F420 WeakPolarHBondContact O-CB 3.29Å; L417-F420 PolarHBondContact O-N 3.13Å; F420-V469 HydrophobicContact CE1-CG2 3.79Å; F420-V469 HydrophobicContact CZ-CG2 3.79Å
421L98.9Very high98.6Very high106 Ų10652.7 Ų52.756%0.55528%0.284SS*.Hα-helixtrans-64.9-51.7179.9-66170000110.8L417 Q423 T424 E425L417-L421 WeakPolarHBondContact O-CG 3.13Å; L417-L421 PolarHBondContact O-N 3.43Å; L421-Q423 VanDerWaalsContact C-N 3.3Å; L421-Q423 PolarHBondContact O-N 2.82Å; L421-T424 PolarHBondContact O-N 3.31Å; L421-T424 PolarHBondContact O-OG1 3.18Å; L421-T424 VanDerWaalsContact O-OG1 3.12Å; L421-E425 PolarHBondContact O-N 3.16Å; L421-E425 VanDerWaalsContact O-N 3.09Å
422A98.8Very high98.5Very high44 Ų4452 Ų5236%0.36428%0.283SS..Hα-helixtrans-60.5-36-176.100000113.1S418 E425 A426S418-A422 WeakPolarHBondContact O-CB 3.06Å; S418-A422 PolarHBondContact O-N 3.29Å; A422-E425 PolarHBondContact O-N 3Å; A422-A426 VanDerWaalsContact O-CB 3.23Å; A422-A426 WeakPolarHBondContact O-CB 3.15Å; A422-A426 PolarHBondContact O-N 3.11Å
423Q98.9Very high98.4Very high31 Ų3151 Ų5115%0.14528%0.277CS..Hα-helixtrans-69.3-43.4-178.9-73.2-65.3-18.500112.6Y332 Q379 Y383 H387 F397 N419 L421 E425 A426 L427Y332-Q423 VanDerWaalsContact OH-CG 3.3Å; Y332-Q423 WeakPolarHBondContact OH-CG 3.07Å; Q379-Q423 VanDerWaalsContact CD-NE2 3.32Å; Q379-Q423 HydrophobicContact CG-CG 4.08Å; Y383-Q423 HydrophobicContact CD2-CG 4.3Å; Y383-Q423 HydrophobicContact CE2-CB 4.18Å; Y383-Q423 HydrophobicContact CE2-CG 3.97Å; H387-Q423 PolarHBondContact NE2-OE1 3.31Å; F397-Q423 HydrophobicContact CE1-CB 3.79Å; F397-Q423 HydrophobicContact CZ-CB 4.18Å; N419-Q423 WeakPolarHBondContact O-CB 3.36Å; N419-Q423 VanDerWaalsContact O-CG 3.22Å; N419-Q423 WeakPolarHBondContact O-CG 3.5Å; N419-Q423 PolarHBondContact O-N 3.47Å; N419-Q423 VanDerWaalsContact O-N 3.1Å; L421-Q423 VanDerWaalsContact C-N 3.3Å; L421-Q423 PolarHBondContact O-N 2.82Å; Q423-E425 VanDerWaalsContact C-N 3.33Å; Q423-A426 PolarHBondContact O-N 2.68Å; Q423-L427 WeakPolarHBondContact O-CB 3.39Å; Q423-L427 VanDerWaalsContact O-CG 3.29Å; Q423-L427 WeakPolarHBondContact O-CG 3.5Å; Q423-L427 PolarHBondContact O-N 3.17Å
424T98.8Very high98.3Very high1 Ų156 Ų561%0.00630%0.3CS..Hα-helixtrans-68.8-34176.466.40000112.1F397 L421 M428F397-T424 HydrophobicContact CB-CG2 4.05Å; F397-T424 HydrophobicContact CD1-CG2 3.83Å; F397-T424 HydrophobicContact CD2-CG2 3.65Å; F397-T424 HydrophobicContact CE1-CG2 4.14Å; F397-T424 HydrophobicContact CE2-CG2 3.96Å; F397-T424 HydrophobicContact CG-CG2 3.58Å; F397-T424 HydrophobicContact CZ-CG2 4.21Å; L421-T424 PolarHBondContact O-N 3.31Å; L421-T424 PolarHBondContact O-OG1 3.18Å; L421-T424 VanDerWaalsContact O-OG1 3.12Å; T424-M428 PolarHBondContact O-N 3.4Å
425E98.8Very high98.2Very high113 Ų11353 Ų5353%0.52829%0.287SS..Hα-helixtrans-64.2-48.9171.8-177.6175.6-150.300111.5L421 A422 Q423 L427 M428 T429L421-E425 PolarHBondContact O-N 3.16Å; L421-E425 VanDerWaalsContact O-N 3.09Å; A422-E425 PolarHBondContact O-N 3Å; Q423-E425 VanDerWaalsContact C-N 3.33Å; E425-L427 VanDerWaalsContact C-N 3.33Å; E425-L427 PolarHBondContact O-N 2.89Å; E425-M428 WeakPolarHBondContact O-CB 3.47Å; E425-M428 PolarHBondContact O-N 2.9Å; E425-M428 VanDerWaalsContact O-N 3.1Å; E425-T429 HydrophobicContact CG-CG2 4.05Å; E425-T429 WeakPolarHBondContact O-CG2 3.33Å; E425-T429 PolarHBondContact O-N 2.86Å; E425-T429 PolarHBondContact O-OG1 3.19Å
426A98.6Very high98.1Very high36 Ų3649 Ų4930%0.29827%0.266SS..Hα-helixtrans-62.2-38.7-179.800000112.7A422 Q423 M428 G430A422-A426 VanDerWaalsContact O-CB 3.23Å; A422-A426 WeakPolarHBondContact O-CB 3.15Å; A422-A426 PolarHBondContact O-N 3.11Å; Q423-A426 PolarHBondContact O-N 2.68Å; A426-M428 VanDerWaalsContact C-N 3.28Å; A426-M428 PolarHBondContact O-N 3.45Å; A426-G430 PolarHBondContact O-N 3.24Å
427L98.8Very high98Very high2 Ų250.1 Ų50.11%0.0127%0.27CS..Hα-helixtrans-61.1-38.8174.4-75.9171.8000111.7I386 H387 F397 Q423 E425 G461 N462 R463I386-L427 HydrophobicContact CG2-CD2 3.61Å; H387-L427 VanDerWaalsContact CE1-CD2 3.43Å; H387-L427 WeakPolarHBondContact CE1-CD2 3.45Å; F397-L427 HydrophobicContact CE2-CD1 3.79Å; F397-L427 HydrophobicContact CZ-CD1 3.84Å; Q423-L427 WeakPolarHBondContact O-CB 3.39Å; Q423-L427 VanDerWaalsContact O-CG 3.29Å; Q423-L427 WeakPolarHBondContact O-CG 3.5Å; Q423-L427 PolarHBondContact O-N 3.17Å; E425-L427 VanDerWaalsContact C-N 3.33Å; E425-L427 PolarHBondContact O-N 2.89Å; L427-G461 CarbonylContact O-C 3.32Å; L427-G461 WeakPolarHBondContact O-CA 3.4Å; L427-N462 PolarHBondContact O-N 3.16Å; L427-R463 HydrophobicContact CB-CB 4.01Å; L427-R463 HydrophobicContact CD2-CB 3.83Å; L427-R463 HydrophobicContact CD2-CG 4.43Å; L427-R463 HydrophobicContact CG-CB 4.48Å; L427-R463 PolarHBondContact O-N 2.9Å
428M98.6Very high97.9Very high22 Ų2255.1 Ų55.111%0.10829%0.29CS..Hα-helixtrans-73.2-53.6177.3178-172.172.100112.3M18 F22 K49 T424 E425 A426 N462M18-M428 HydrophobicContact CB-CG 3.78Å; M18-M428 HydrophobicContact CB-SD 4.49Å; M18-M428 HydrophobicContact CE-CB 4.39Å; M18-M428 HydrophobicContact CE-CG 4.35Å; F22-M428 HydrophobicContact CD2-CE 4.49Å; F22-M428 HydrophobicContact CD2-SD 3.41Å; F22-M428 WeakPolarHBondContact CD2-SD 3.03Å; F22-M428 HydrophobicContact CE2-SD 3.34Å; F22-M428 WeakPolarHBondContact CE2-SD 3.22Å; F22-M428 HydrophobicContact CG-SD 4.25Å; F22-M428 HydrophobicContact CZ-SD 4.11Å; K49-M428 HydrophobicContact CD-CB 4.31Å; K49-M428 HydrophobicContact CD-SD 4.18Å; K49-M428 HydrophobicContact CG-SD 4.02Å; T424-M428 PolarHBondContact O-N 3.4Å; E425-M428 WeakPolarHBondContact O-CB 3.47Å; E425-M428 PolarHBondContact O-N 2.9Å; E425-M428 VanDerWaalsContact O-N 3.1Å; A426-M428 VanDerWaalsContact C-N 3.28Å; A426-M428 PolarHBondContact O-N 3.45Å; M428-N462 PolarHBondContact O-N 2.93Å
429T98.2Very high97.8Very high47 Ų4757 Ų5729%0.28829%0.291SS..Hα-helixtrans-80-37.1-167.354.80000113.1E425E425-T429 HydrophobicContact CG-CG2 4.05Å; E425-T429 WeakPolarHBondContact O-CG2 3.33Å; E425-T429 PolarHBondContact O-N 2.86Å; E425-T429 PolarHBondContact O-OG1 3.19Å
430G97.6Very high97.7Very high16 Ų1655.4 Ų55.417%0.16528%0.283CS..  trans57.3-160-168.300000112.8A426 F459 G461A426-G430 PolarHBondContact O-N 3.24Å; G430-F459 CarbonylContact C-O 3.34Å; G430-F459 VanDerWaalsContact CA-O 3.32Å; G430-F459 WeakPolarHBondContact CA-O 3.32Å; G430-G461 VanDerWaalsContact CA-CA 3.49Å
431K97.6Very high97.7Very high71 Ų7161.3 Ų61.331%0.30931%0.309SS..BIsolated β-bridgetrans-152.5114.3175.5-166.2-176.4-77.2-151.10108E435 V436 E439 S458 F459K431-E435 HydrophobicContact CG-CB 4.03Å; K431-V436 HydrophobicContact CB-CG2 4.36Å; K431-V436 HydrophobicContact CD-CG2 3.54Å; K431-V436 HydrophobicContact CG-CG2 3.74Å; K431-E439 IonicContact NZ-OE1 3.91Å; K431-E439 PolarHBondContact NZ-OE1 2.85Å; K431-E439 IonicContact NZ-OE2 3.34Å; K431-E439 PolarHBondContact NZ-OE2 3.43Å; K431-S458 CarbonylContact O-C 3.45Å; K431-S458 WeakPolarHBondContact O-CA 3.43Å; K431-F459 CarbonylContact C-O 3.54Å; K431-F459 HydrophobicContact CB-CB 4.36Å; K431-F459 HydrophobicContact CB-CD2 4.25Å; K431-F459 PolarHBondContact N-O 3Å; K431-F459 PolarHBondContact O-N 3.34Å
432T96.2Very high97.6Very high61 Ų6160.5 Ų60.537%0.37432%0.317SS..  trans-65.6155.7-175.661.60000111.5E434 E435 V436T432-E434 PolarHBondContact O-N 3.04Å; T432-E435 WeakPolarHBondContact CB-OE2 3.22Å; T432-E435 PolarHBondContact N-OE2 2.64Å; T432-E435 PolarHBondContact O-N 2.73Å; T432-E435 WeakPolarHBondContact OG1-CB 3.49Å; T432-E435 WeakPolarHBondContact OG1-CG 3.48Å; T432-E435 PolarHBondContact OG1-N 3.17Å; T432-E435 PolarHBondContact OG1-OE2 2.79Å; T432-V436 VanDerWaalsContact O-CG2 3.3Å; T432-V436 WeakPolarHBondContact O-CG2 3.31Å; T432-V436 PolarHBondContact O-N 2.78Å; T432-V436 VanDerWaalsContact O-N 3.07Å
433K96.1Very high97.5Very high83 Ų8362.1 Ų62.136%0.36133%0.331SS..Hα-helixtrans-58.6-35.2177-176.8-176.1174.3-172.60111V436 H437 A454K433-V436 PolarHBondContact O-N 2.79Å; K433-H437 WeakPolarHBondContact O-CB 3.33Å; K433-H437 PolarHBondContact O-N 3.05Å; K433-A454 HydrophobicContact CG-CB 3.93Å
434E96.3Very high97.4Very high122 Ų12263.3 Ų63.357%0.5735%0.351SS*.Hα-helixtrans-68.2-43.5-179.9-64.467.2-146.800111.8T432 H437 K438T432-E434 PolarHBondContact O-N 3.04Å; E434-H437 PolarHBondContact O-N 2.82Å; E434-K438 WeakPolarHBondContact O-CG 3.41Å; E434-K438 PolarHBondContact O-N 3.46Å
435E96.2Very high97.2Very high76 Ų7664.8 Ų64.836%0.35536%0.36SS..Hα-helixtrans-60.2-48.5173.4-74.8160.2154.600110.5K19 K431 T432 H437 K438 E439K19-E435 IonicContact NZ-OE1 3.95Å; K431-E435 HydrophobicContact CG-CB 4.03Å; T432-E435 WeakPolarHBondContact CB-OE2 3.22Å; T432-E435 PolarHBondContact N-OE2 2.64Å; T432-E435 PolarHBondContact O-N 2.73Å; T432-E435 WeakPolarHBondContact OG1-CB 3.49Å; T432-E435 WeakPolarHBondContact OG1-CG 3.48Å; T432-E435 PolarHBondContact OG1-N 3.17Å; T432-E435 PolarHBondContact OG1-OE2 2.79Å; E435-H437 PolarHBondContact O-N 3.28Å; E435-K438 PolarHBondContact O-N 3Å; E435-E439 WeakPolarHBondContact O-CG 3.19Å; E435-E439 PolarHBondContact O-N 3.05Å
436V97Very high97Very high2 Ų263.6 Ų63.61%0.01236%0.361CS..Hα-helixtrans-63.2-42.5178.7-179.70000111.7K431 T432 K433 K438 E439 L440 A454 K457K431-V436 HydrophobicContact CB-CG2 4.36Å; K431-V436 HydrophobicContact CD-CG2 3.54Å; K431-V436 HydrophobicContact CG-CG2 3.74Å; T432-V436 VanDerWaalsContact O-CG2 3.3Å; T432-V436 WeakPolarHBondContact O-CG2 3.31Å; T432-V436 PolarHBondContact O-N 2.78Å; T432-V436 VanDerWaalsContact O-N 3.07Å; K433-V436 PolarHBondContact O-N 2.79Å; V436-K438 VanDerWaalsContact C-N 3.31Å; V436-K438 PolarHBondContact O-N 3.33Å; V436-E439 PolarHBondContact O-N 3.47Å; V436-L440 HydrophobicContact CG1-CD1 3.76Å; V436-L440 HydrophobicContact CG1-CG 4.13Å; V436-L440 WeakPolarHBondContact O-CB 3.41Å; V436-L440 VanDerWaalsContact O-CG 3.3Å; V436-L440 WeakPolarHBondContact O-CG 3.44Å; V436-L440 PolarHBondContact O-N 3.07Å; V436-A454 HydrophobicContact CG1-CB 4.36Å; V436-K457 HydrophobicContact CG1-CB 3.5Å; V436-K457 VanDerWaalsContact CG2-O 3.27Å; V436-K457 WeakPolarHBondContact CG2-O 3.21Å
437H97.3Very high96.8Very high60 Ų6064.3 Ų64.328%0.27837%0.372SS..Hα-helixtrans-60.8-42.5178.2-176.2-68.6000110.8K433 E434 E435 L440 F441 L450 A454K433-H437 WeakPolarHBondContact O-CB 3.33Å; K433-H437 PolarHBondContact O-N 3.05Å; E434-H437 PolarHBondContact O-N 2.82Å; E435-H437 PolarHBondContact O-N 3.28Å; H437-L440 PolarHBondContact O-N 3.39Å; H437-F441 VanDerWaalsContact O-CB 3.29Å; H437-F441 WeakPolarHBondContact O-CB 3.29Å; H437-F441 PolarHBondContact O-N 3Å; H437-L450 WeakPolarHBondContact CE1-CD2 3.37Å; H437-L450 VanDerWaalsContact NE2-CD2 3.34Å; H437-L450 WeakPolarHBondContact NE2-CD2 3.4Å; H437-L450 WeakPolarHBondContact NE2-CG 3.49Å; H437-A454 HydrophobicContact CB-CB 3.93Å
438K97.1Very high96.5Very high155 Ų15571.1 Ų71.167%0.67441%0.409SS*.Hα-helixtrans-62.5-45.7175.7-72.7172.3-177.2178.30111.7E434 E435 V436 F441 A442E434-K438 WeakPolarHBondContact O-CG 3.41Å; E434-K438 PolarHBondContact O-N 3.46Å; E435-K438 PolarHBondContact O-N 3Å; V436-K438 VanDerWaalsContact C-N 3.31Å; V436-K438 PolarHBondContact O-N 3.33Å; K438-F441 PolarHBondContact O-N 3.37Å; K438-A442 WeakPolarHBondContact O-CB 3.32Å; K438-A442 PolarHBondContact O-N 2.86Å
439E97Very high96.3Very high101 Ų10175.9 Ų75.947%0.47243%0.432SS..Hα-helixtrans-60.1-46.7176.1-71.4175.1-175.400112K431 E435 V436 A442 A443K431-E439 IonicContact NZ-OE1 3.91Å; K431-E439 PolarHBondContact NZ-OE1 2.85Å; K431-E439 IonicContact NZ-OE2 3.34Å; K431-E439 PolarHBondContact NZ-OE2 3.43Å; E435-E439 WeakPolarHBondContact O-CG 3.19Å; E435-E439 PolarHBondContact O-N 3.05Å; V436-E439 PolarHBondContact O-N 3.47Å; E439-A442 PolarHBondContact O-N 2.9Å; E439-A443 WeakPolarHBondContact O-CB 3.06Å; E439-A443 PolarHBondContact O-N 3.43Å
440L97.1Very high96.2Very high11 Ų1174.1 Ų74.16%0.05842%0.421CS..Hα-helixtrans-65.6-41.3179.7-74.5175.3000112.8V436 H437 A443 G444 V445 L450 L453 A454 K457V436-L440 HydrophobicContact CG1-CD1 3.76Å; V436-L440 HydrophobicContact CG1-CG 4.13Å; V436-L440 WeakPolarHBondContact O-CB 3.41Å; V436-L440 VanDerWaalsContact O-CG 3.3Å; V436-L440 WeakPolarHBondContact O-CG 3.44Å; V436-L440 PolarHBondContact O-N 3.07Å; H437-L440 PolarHBondContact O-N 3.39Å; L440-A443 CarbonylContact O-C 3.5Å; L440-A443 PolarHBondContact O-N 3.1Å; L440-G444 PolarHBondContact O-N 3.36Å; L440-V445 HydrophobicContact CB-CB 4.21Å; L440-V445 HydrophobicContact CD2-CG2 4.13Å; L440-V445 WeakPolarHBondContact O-CB 3.32Å; L440-V445 PolarHBondContact O-N 3.35Å; L440-L450 HydrophobicContact CB-CD1 3.3Å; L440-L450 HydrophobicContact CD1-CD1 4.25Å; L440-L450 HydrophobicContact CG-CD1 4.43Å; L440-L453 HydrophobicContact CD1-CB 3.56Å; L440-A454 HydrophobicContact CD1-CB 4.25Å; L440-K457 HydrophobicContact CD1-CD 4.44Å; L440-K457 HydrophobicContact CD2-CD 4.05Å
441F97.1Very high96Very high127 Ų12777.2 Ų77.256%0.55743%0.434SS*.Hα-helixtrans-63.1-44.1176.1-177.1-99.6000111.3H437 K438 A443 G444 T446 L450H437-F441 VanDerWaalsContact O-CB 3.29Å; H437-F441 WeakPolarHBondContact O-CB 3.29Å; H437-F441 PolarHBondContact O-N 3Å; K438-F441 PolarHBondContact O-N 3.37Å; F441-A443 PolarHBondContact O-N 2.93Å; F441-G444 PolarHBondContact O-N 3.3Å; F441-T446 HydrophobicContact CD2-CG2 4.34Å; F441-T446 HydrophobicContact CE2-CG2 4.27Å; F441-L450 HydrophobicContact CB-CD1 4.3Å; F441-L450 HydrophobicContact CB-CD2 4.08Å; F441-L450 HydrophobicContact CD2-CD2 3.84Å; F441-L450 HydrophobicContact CG-CD2 4.44Å
442A97.2Very high95.9Very high89 Ų8976.9 Ų76.974%0.73644%0.44SS*.Hα-helixtrans-63.4-29.9174.900000112.8K438 E439 G444K438-A442 WeakPolarHBondContact O-CB 3.32Å; K438-A442 PolarHBondContact O-N 2.86Å; E439-A442 PolarHBondContact O-N 2.9Å; A442-G444 PolarHBondContact O-N 2.9Å
443A96.5Very high95.9Very high78 Ų7876.4 Ų76.465%0.64544%0.435SS*.THydrogen-bonded Turntrans-80.2617300000114E439 L440 F441E439-A443 WeakPolarHBondContact O-CB 3.06Å; E439-A443 PolarHBondContact O-N 3.43Å; L440-A443 CarbonylContact O-C 3.5Å; L440-A443 PolarHBondContact O-N 3.1Å; F441-A443 PolarHBondContact O-N 2.93Å
444G96.8Very high95.9Very high56 Ų5672.4 Ų72.458%0.57742%0.418SS*.THydrogen-bonded Turntrans85.16.2176.400000115.4L440 F441 A442L440-G444 PolarHBondContact O-N 3.36Å; F441-G444 PolarHBondContact O-N 3.3Å; A442-G444 PolarHBondContact O-N 2.9Å
445V95.6Very high95.8Very high32 Ų3271.9 Ų71.919%0.19442%0.418CS..  trans-77.5125.3173.9-175.40000108.9L440 M449 L450 L453L440-V445 HydrophobicContact CB-CB 4.21Å; L440-V445 HydrophobicContact CD2-CG2 4.13Å; L440-V445 WeakPolarHBondContact O-CB 3.32Å; L440-V445 PolarHBondContact O-N 3.35Å; V445-M449 HydrophobicContact CG1-CB 4.19Å; V445-M449 HydrophobicContact CG1-CG 4.17Å; V445-M449 HydrophobicContact CG1-SD 4.33Å; V445-L450 HydrophobicContact CG1-CB 4.17Å; V445-L453 HydrophobicContact CG1-CD1 4.15Å
446T94.9Very high95.8Very high88 Ų8874.5 Ų74.554%0.5443%0.43SS..  trans-135.1176.2-176.959.60000111.7F441F441-T446 HydrophobicContact CD2-CG2 4.34Å; F441-T446 HydrophobicContact CE2-CG2 4.27Å
447G93.2Very high95.9Very high52 Ų5279.6 Ų79.654%0.53645%0.452SS..Hα-helixtrans65.4-153.9178.600000113.7M449 L450G447-M449 PolarHBondContact O-N 3.23Å; G447-L450 WeakPolarHBondContact O-CB 3.26Å; G447-L450 PolarHBondContact O-N 3.12Å; G447-L450 VanDerWaalsContact O-N 3.12Å
448D93.6Very high95.8Very high145 Ų14577.9 Ų77.978%0.77545%0.447SS*.Hα-helixtrans-60.6-29.4-177.6-64.1-26.3000112.9L450 N451 S452D448-L450 VanDerWaalsContact C-N 3.3Å; D448-L450 PolarHBondContact O-N 3.23Å; D448-N451 PolarHBondContact O-N 2.87Å; D448-S452 PolarHBondContact O-N 3.01Å
449M94.4Very high95.9Very high122 Ų12273.8 Ų73.860%0.60143%0.429SS*.Hα-helixtrans-63.7-36.5178.5-161.6-175.6-41.800112.1V445 G447 S452 L453V445-M449 HydrophobicContact CG1-CB 4.19Å; V445-M449 HydrophobicContact CG1-CG 4.17Å; V445-M449 HydrophobicContact CG1-SD 4.33Å; G447-M449 PolarHBondContact O-N 3.23Å; M449-S452 PolarHBondContact O-N 3.43Å; M449-L453 HydrophobicContact CG-CD1 3.77Å; M449-L453 HydrophobicContact CG-CG 4.14Å; M449-L453 VanDerWaalsContact O-CB 3.26Å; M449-L453 WeakPolarHBondContact O-CB 3.48Å; M449-L453 WeakPolarHBondContact O-CG 3.34Å; M449-L453 PolarHBondContact O-N 2.77Å; M449-L453 HydrophobicContact SD-CD1 4.2Å
450L95.4Very high95.9Very high10 Ų1078.1 Ų78.15%0.05245%0.446CS..Hα-helixtrans-61.2-47.9177.117657.4000111.3H437 L440 F441 V445 G447 D448 A454H437-L450 WeakPolarHBondContact CE1-CD2 3.37Å; H437-L450 VanDerWaalsContact NE2-CD2 3.34Å; H437-L450 WeakPolarHBondContact NE2-CD2 3.4Å; H437-L450 WeakPolarHBondContact NE2-CG 3.49Å; L440-L450 HydrophobicContact CB-CD1 3.3Å; L440-L450 HydrophobicContact CD1-CD1 4.25Å; L440-L450 HydrophobicContact CG-CD1 4.43Å; F441-L450 HydrophobicContact CB-CD1 4.3Å; F441-L450 HydrophobicContact CB-CD2 4.08Å; F441-L450 HydrophobicContact CD2-CD2 3.84Å; F441-L450 HydrophobicContact CG-CD2 4.44Å; V445-L450 HydrophobicContact CG1-CB 4.17Å; G447-L450 WeakPolarHBondContact O-CB 3.26Å; G447-L450 PolarHBondContact O-N 3.12Å; G447-L450 VanDerWaalsContact O-N 3.12Å; D448-L450 VanDerWaalsContact C-N 3.3Å; D448-L450 PolarHBondContact O-N 3.23Å; L450-A454 WeakPolarHBondContact O-CB 3.42Å; L450-A454 PolarHBondContact O-N 3.49Å
451N93.7Very high95.9Very high81 Ų8177.9 Ų77.943%0.43345%0.447SS..Hα-helixtrans-66.5-42-179.7-76.1-45.6000112.4D448 L455D448-N451 PolarHBondContact O-N 2.87Å; N451-L455 PolarHBondContact O-N 3.23Å
452S94.3Very high96Very high63 Ų6374.2 Ų74.244%0.44143%0.433SS..Hα-helixtrans-64.1-53.9177.71770000111.4D448 M449 A454 L455 H456D448-S452 PolarHBondContact O-N 3.01Å; M449-S452 PolarHBondContact O-N 3.43Å; S452-A454 VanDerWaalsContact C-N 3.28Å; S452-A454 PolarHBondContact O-N 2.91Å; S452-L455 PolarHBondContact O-N 3.14Å; S452-L455 VanDerWaalsContact O-N 3.14Å; S452-H456 PolarHBondContact O-CD2 2.9Å; S452-H456 VanDerWaalsContact O-CD2 3.23Å; S452-H456 PolarHBondContact O-N 2.88Å; S452-H456 VanDerWaalsContact O-N 3.17Å
453L96.2Very high96.1Very high51 Ų5171.1 Ų71.127%0.26740%0.402SS..Hα-helixtrans-64.9-32.4179.8-71.1179.1000112.4L440 V445 M449 L455 H456 K457L440-L453 HydrophobicContact CD1-CB 3.56Å; V445-L453 HydrophobicContact CG1-CD1 4.15Å; M449-L453 HydrophobicContact CG-CD1 3.77Å; M449-L453 HydrophobicContact CG-CG 4.14Å; M449-L453 VanDerWaalsContact O-CB 3.26Å; M449-L453 WeakPolarHBondContact O-CB 3.48Å; M449-L453 WeakPolarHBondContact O-CG 3.34Å; M449-L453 PolarHBondContact O-N 2.77Å; M449-L453 HydrophobicContact SD-CD1 4.2Å; L453-L455 PolarHBondContact O-N 3.23Å; L453-H456 PolarHBondContact O-N 2.89Å; L453-K457 WeakPolarHBondContact O-CB 3.43Å; L453-K457 PolarHBondContact O-N 3.07Å
454A96.9Very high96.2Very high0 Ų067.5 Ų67.50%037%0.372CS..Hα-helixtrans-58.7-39.1175.600000112K433 V436 H437 L440 L450 S452 S458K433-A454 HydrophobicContact CG-CB 3.93Å; V436-A454 HydrophobicContact CG1-CB 4.36Å; H437-A454 HydrophobicContact CB-CB 3.93Å; L440-A454 HydrophobicContact CD1-CB 4.25Å; L450-A454 WeakPolarHBondContact O-CB 3.42Å; L450-A454 PolarHBondContact O-N 3.49Å; S452-A454 VanDerWaalsContact C-N 3.28Å; S452-A454 PolarHBondContact O-N 2.91Å; A454-S458 WeakPolarHBondContact O-CB 3.45Å; A454-S458 PolarHBondContact O-N 2.9Å
455L94.6Very high96.3Very high110 Ų11064.9 Ų64.958%0.57635%0.345SS*.Hα-helixtrans-71.8-47.6176.1-174.761.2000111.5N451 S452 L453 K457 S458N451-L455 PolarHBondContact O-N 3.23Å; S452-L455 PolarHBondContact O-N 3.14Å; S452-L455 VanDerWaalsContact O-N 3.14Å; L453-L455 PolarHBondContact O-N 3.23Å; L455-K457 VanDerWaalsContact C-N 3.29Å; L455-K457 PolarHBondContact O-N 3.38Å; L455-S458 WeakPolarHBondContact O-CB 3.39Å; L455-S458 PolarHBondContact O-N 2.85Å; L455-S458 VanDerWaalsContact O-N 3.14Å; L455-S458 PolarHBondContact O-OG 3.21Å
456H96.8Very high96.4Very high132 Ų13263.7 Ų63.761%0.61134%0.337SS*.Hα-helixtrans-61.3-34.3-179.9-77.9-73.2000113.7Q388 S452 L453Q388-H456 PolarHBondContact NE2-O 3.14Å; S452-H456 PolarHBondContact O-CD2 2.9Å; S452-H456 VanDerWaalsContact O-CD2 3.23Å; S452-H456 PolarHBondContact O-N 2.88Å; S452-H456 VanDerWaalsContact O-N 3.17Å; L453-H456 PolarHBondContact O-N 2.89Å
457K97.3Very high96.6Very high109 Ų10959.8 Ų59.847%0.47431%0.314SS..THydrogen-bonded Turntrans-93.34.2179.5-68.2-179.2173.6-170.10113.2V436 L440 L453 L455 F459V436-K457 HydrophobicContact CG1-CB 3.5Å; V436-K457 VanDerWaalsContact CG2-O 3.27Å; V436-K457 WeakPolarHBondContact CG2-O 3.21Å; L440-K457 HydrophobicContact CD1-CD 4.44Å; L440-K457 HydrophobicContact CD2-CD 4.05Å; L453-K457 WeakPolarHBondContact O-CB 3.43Å; L453-K457 PolarHBondContact O-N 3.07Å; L455-K457 VanDerWaalsContact C-N 3.29Å; L455-K457 PolarHBondContact O-N 3.38Å; K457-F459 VanDerWaalsContact O-CD2 3.27Å; K457-F459 WeakPolarHBondContact O-CD2 3.49Å; K457-F459 VanDerWaalsContact O-CE2 3.32Å; K457-F459 WeakPolarHBondContact O-CE2 3.29Å
458S97.3Very high96.9Very high23 Ų2357.3 Ų57.316%0.16129%0.288CS..  trans-81.4148.617372.20000111.9Q388 K431 A454 L455Q388-S458 PolarHBondContact NE2-O 3.23Å; K431-S458 CarbonylContact O-C 3.45Å; K431-S458 WeakPolarHBondContact O-CA 3.43Å; A454-S458 WeakPolarHBondContact O-CB 3.45Å; A454-S458 PolarHBondContact O-N 2.9Å; L455-S458 WeakPolarHBondContact O-CB 3.39Å; L455-S458 PolarHBondContact O-N 2.85Å; L455-S458 VanDerWaalsContact O-N 3.14Å; L455-S458 PolarHBondContact O-OG 3.21Å
459F98.4Very high97.2Very high70 Ų7051.8 Ų51.831%0.30726%0.259SS..BIsolated β-bridgetrans-126.2118.6179-68.4-104.9000107.8H387 Q388 G430 K431 K457 G461H387-F459 HydrophobicContact CB-CD1 3.94Å; H387-F459 HydrophobicContact CB-CE1 3.92Å; Q388-F459 HydrophobicContact CG-CD1 3.95Å; Q388-F459 HydrophobicContact CG-CE1 3.87Å; Q388-F459 HydrophobicContact CG-CZ 4.47Å; G430-F459 CarbonylContact C-O 3.34Å; G430-F459 VanDerWaalsContact CA-O 3.32Å; G430-F459 WeakPolarHBondContact CA-O 3.32Å; K431-F459 CarbonylContact C-O 3.54Å; K431-F459 HydrophobicContact CB-CB 4.36Å; K431-F459 HydrophobicContact CB-CD2 4.25Å; K431-F459 PolarHBondContact N-O 3Å; K431-F459 PolarHBondContact O-N 3.34Å; K457-F459 VanDerWaalsContact O-CD2 3.27Å; K457-F459 WeakPolarHBondContact O-CD2 3.49Å; K457-F459 VanDerWaalsContact O-CE2 3.32Å; K457-F459 WeakPolarHBondContact O-CE2 3.29Å; F459-G461 PolarHBondContact O-N 3.39Å; F459-G461 VanDerWaalsContact O-N 3.09Å
460K97Very high97.4Very high192 Ų19246 Ų4684%0.83523%0.231SC*.  trans-63.3-17.2-178.4-66.9-178.9178.2177.80113.7
461G97.9Very high97.5Very high6 Ų647.8 Ų47.86%0.06224%0.242CC..  trans59-149.1-175.300000112L427 G430 F459 R463L427-G461 CarbonylContact O-C 3.32Å; L427-G461 WeakPolarHBondContact O-CA 3.4Å; G430-G461 VanDerWaalsContact CA-CA 3.49Å; F459-G461 PolarHBondContact O-N 3.39Å; F459-G461 VanDerWaalsContact O-N 3.09Å; G461-R463 PolarHBondContact O-N 3.25Å; G461-R463 VanDerWaalsContact O-N 3.14Å; G461-R463 PolarHBondContact O-NH1 2.88Å
462N98.4Very high97.8Very high49 Ų4947.2 Ų47.226%0.26224%0.236SC..  trans52.533.3174.4-152.543.5000114.8T17 M18 L51 L427 M428T17-N462 WeakPolarHBondContact CA-OD1 3.38Å; M18-N462 VanDerWaalsContact CE-C 3.46Å; M18-N462 PolarHBondContact N-OD1 2.97Å; L51-N462 WeakPolarHBondContact CD2-OD1 3.35Å; L427-N462 PolarHBondContact O-N 3.16Å; M428-N462 PolarHBondContact O-N 2.93Å
463R98.6Very high98Very high25 Ų2544.2 Ų44.29%0.09422%0.215CC..  trans-103.9122.7178-73.6164.2175.787-5.2110.4M18 I386 H387 L427 G461M18-R463 VanDerWaalsContact CE-C 3.49Å; M18-R463 WeakPolarHBondContact CE-O 3.47Å; I386-R463 WeakPolarHBondContact O-CD 3.42Å; I386-R463 PolarHBondContact O-NE 2.9Å; H387-R463 PolarHBondContact O-NE 3.47Å; H387-R463 PolarHBondContact O-NH1 2.98Å; H387-R463 PolarHBondContact O-NH2 2.86Å; L427-R463 HydrophobicContact CB-CB 4.01Å; L427-R463 HydrophobicContact CD2-CB 3.83Å; L427-R463 HydrophobicContact CD2-CG 4.43Å; L427-R463 HydrophobicContact CG-CB 4.48Å; L427-R463 PolarHBondContact O-N 2.9Å; G461-R463 PolarHBondContact O-N 3.25Å; G461-R463 VanDerWaalsContact O-N 3.14Å; G461-R463 PolarHBondContact O-NH1 2.88Å
464P98.8Very high98.1Very high1 Ų143 Ų431%0.00621%0.21CC..  trans-77.9147.6-167.931.2-35.6000112.9K49 Y318 L392 C395K49-P464 VanDerWaalsContact O-CA 3.29Å; K49-P464 WeakPolarHBondContact O-CA 3.3Å; Y318-P464 HydrophobicContact CD1-CG 4.33Å; Y318-P464 HydrophobicContact CE1-CB 3.97Å; Y318-P464 HydrophobicContact CE1-CG 3.64Å; Y318-P464 HydrophobicContact CE2-CB 4.18Å; Y318-P464 HydrophobicContact CE2-CG 4.26Å; Y318-P464 VanDerWaalsContact CZ-CB 3.48Å; Y318-P464 WeakPolarHBondContact OH-CB 3.22Å; L392-P464 HydrophobicContact CD1-CG 4.21Å; C395-P464 PolarHBondContact N-O 2.84Å
465S98.9Very high98.2Very high1 Ų143.2 Ų43.21%0.00721%0.211CC..EExtended strand (participates in β ladder)trans-147.8144.1175.162.50000111.5K49 C395K49-S465 PolarHBondContact O-N 3.12Å; C395-S465 CarbonylContact O-C 3.52Å; C395-S465 WeakPolarHBondContact O-CA 3.47Å
466N99Very high98.4Very high8 Ų838.8 Ų38.84%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-95.4141.6159.8-61.4-47.4000109.3L45 D46 Y47 N50 L311 C395 D396 F397L45-N466 HydrophobicContact CD1-CB 4.27Å; D46-N466 WeakPolarHBondContact O-CA 3.43Å; Y47-N466 WeakPolarHBondContact CB-OD1 3.42Å; N50-N466 PolarHBondContact ND2-OD1 2.92Å; L311-N466 HydrophobicContact CD2-CB 4.4Å; C395-N466 PolarHBondContact O-N 3.27Å; D396-N466 WeakPolarHBondContact OD1-CB 3.46Å; D396-N466 PolarHBondContact OD1-ND2 2.88Å; F397-N466 PolarHBondContact N-O 3.27Å
467S99Very high98.5Very high6 Ų632.5 Ų32.54%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-112111.6169.8-66.30000109.3D46D46-S467 PolarHBondContact N-O 3.06Å; D46-S467 PolarHBondContact O-N 2.88Å
468I99Very high98.6Very high0 Ų027.3 Ų27.30%014%0.135CC..EExtended strand (participates in β ladder)trans-103.999.1178.5-57.9166000107.8I43 L44 L45 L311 D396 F397 L398 I399 F470 L481 M484 Y485I43-I468 HydrophobicContact CG2-CG2 4.2Å; L44-I468 CarbonylContact O-C 3.59Å; L44-I468 WeakPolarHBondContact O-CA 3.44Å; L45-I468 HydrophobicContact CD1-CG1 3.84Å; L311-I468 HydrophobicContact CD1-CD1 4.48Å; D396-I468 HydrophobicContact CB-CD1 4.33Å; F397-I468 PolarHBondContact O-N 3.38Å; L398-I468 VanDerWaalsContact CA-O 3.29Å; L398-I468 WeakPolarHBondContact CA-O 3.32Å; L398-I468 HydrophobicContact CD2-CB 4.29Å; L398-I468 HydrophobicContact CD2-CD1 4.05Å; L398-I468 HydrophobicContact CD2-CG2 4.3Å; L398-I468 HydrophobicContact CG-CB 4.1Å; L398-I468 HydrophobicContact CG-CD1 4.16Å; I399-I468 PolarHBondContact N-O 2.95Å; I468-F470 HydrophobicContact CG2-CD1 4.37Å; I468-L481 HydrophobicContact CG2-CD2 3.87Å; I468-M484 HydrophobicContact CD1-CE 3.98Å; I468-M484 HydrophobicContact CG2-CE 4.11Å; I468-Y485 HydrophobicContact CD1-CE2 4.26Å; I468-Y485 WeakPolarHBondContact CD1-OH 3.33Å
469V99Very high98.7Very high28 Ų2826.2 Ų26.217%0.1713%0.127CC..EExtended strand (participates in β ladder)trans-107.1133.3-177.2-1750000108.7L44 I399 V401 F420L44-V469 HydrophobicContact CB-CB 4.32Å; L44-V469 HydrophobicContact CD2-CB 4.4Å; L44-V469 PolarHBondContact N-O 2.7Å; L44-V469 PolarHBondContact O-N 2.9Å; I399-V469 HydrophobicContact CG2-CB 4.48Å; I399-V469 HydrophobicContact CG2-CG1 4.19Å; I399-V469 HydrophobicContact CG2-CG2 4.07Å; I399-V469 WeakPolarHBondContact O-CA 3.35Å; V401-V469 HydrophobicContact CG2-CG1 3.58Å; F420-V469 HydrophobicContact CE1-CG2 3.79Å; F420-V469 HydrophobicContact CZ-CG2 3.79Å
470F98.9Very high98.7Very high2 Ų222.9 Ų22.91%0.00911%0.112CC..EExtended strand (participates in β ladder)trans-137153.3-178.646.6-89000112.1T42 I43 M336 L398 I399 P400 V401 I468 K472 L473 I477 L481T42-F470 CarbonylContact O-C 3.26Å; T42-F470 WeakPolarHBondContact O-CA 3.29Å; I43-F470 HydrophobicContact CG1-CB 4.12Å; M336-F470 HydrophobicContact SD-CZ 3.9Å; L398-F470 HydrophobicContact CB-CE1 4.18Å; I399-F470 PolarHBondContact O-N 2.93Å; P400-F470 CarbonylContact C-O 3.57Å; P400-F470 VanDerWaalsContact CA-O 3.22Å; P400-F470 WeakPolarHBondContact CA-O 3.46Å; P400-F470 HydrophobicContact CB-CD2 4.01Å; P400-F470 HydrophobicContact CB-CE2 3.61Å; P400-F470 HydrophobicContact CB-CZ 4.37Å; P400-F470 HydrophobicContact CG-CE2 4.2Å; V401-F470 PolarHBondContact N-O 3.06Å; I468-F470 HydrophobicContact CG2-CD1 4.37Å; F470-K472 PolarHBondContact O-N 2.61Å; F470-L473 HydrophobicContact CE2-CB 4.01Å; F470-L473 HydrophobicContact CE2-CD1 3.8Å; F470-L473 HydrophobicContact CZ-CD1 4.17Å; F470-I477 HydrophobicContact CB-CG2 3.87Å; F470-I477 HydrophobicContact CD2-CG2 3.61Å; F470-I477 HydrophobicContact CE2-CG2 4.39Å; F470-I477 HydrophobicContact CG-CG2 3.86Å; F470-L481 HydrophobicContact CD1-CD1 3.83Å; F470-L481 HydrophobicContact CD1-CD2 4.12Å; F470-L481 HydrophobicContact CD2-CD1 4.3Å; F470-L481 HydrophobicContact CE1-CD1 3.67Å; F470-L481 HydrophobicContact CE1-CD2 4.45Å; F470-L481 HydrophobicContact CE2-CD1 4.14Å; F470-L481 HydrophobicContact CG-CD1 4.14Å; F470-L481 HydrophobicContact CZ-CD1 3.83Å
471T98.7Very high98.8Very high46 Ų4613.7 Ų13.728%0.2827%0.073SC..EExtended strand (participates in β ladder)trans-56-50.1-170-54.80000113.3T42 V401 H402T42-T471 PolarHBondContact N-OG1 2.77Å; T42-T471 PolarHBondContact O-N 3.25Å; T42-T471 PolarHBondContact O-OG1 2.94Å; V401-T471 PolarHBondContact N-O 3.19Å; H402-T471 PolarHBondContact CD2-O 3.46Å; H402-T471 VanDerWaalsContact CD2-O 3.27Å; H402-T471 PolarHBondContact N-O 3.36Å
472K98.9Very high98.9Very high70 Ų7013.4 Ų13.430%0.3047%0.07SC..EExtended strand (participates in β ladder)trans-160.9147.8179.1-174165.5-175.9174.80109.1H402 H404 F470 T474 I477H402-K472 HydrophobicContact CB-CB 4.28Å; H402-K472 HydrophobicContact CB-CD 4.26Å; H402-K472 HydrophobicContact CB-CG 4.38Å; H404-K472 WeakPolarHBondContact CE1-CE 3.37Å; H404-K472 WeakPolarHBondContact ND1-CE 3.36Å; F470-K472 PolarHBondContact O-N 2.61Å; K472-T474 HydrophobicContact CB-CG2 4.14Å; K472-T474 HydrophobicContact CG-CG2 4.2Å; K472-T474 PolarHBondContact O-N 3.16Å; K472-I477 WeakPolarHBondContact O-CB 3.45Å; K472-I477 WeakPolarHBondContact O-CG2 3.33Å
473L98.9Very high98.9Very high0 Ų011.1 Ų11.10%06%0.057CC..  trans-7774.3175.7-166.966.9000111C162 M336 H404 F470 L478 L481C162-L473 HydrophobicContact CB-CD2 4.29Å; M336-L473 HydrophobicContact CG-CD1 4.37Å; M336-L473 HydrophobicContact CG-CD2 3.55Å; M336-L473 HydrophobicContact SD-CD1 3.98Å; M336-L473 HydrophobicContact SD-CD2 4.06Å; H404-L473 PolarHBondContact CE1-O 2.84Å; H404-L473 VanDerWaalsContact CE1-O 3.28Å; H404-L473 PolarHBondContact NE2-O 2.77Å; F470-L473 HydrophobicContact CE2-CB 4.01Å; F470-L473 HydrophobicContact CE2-CD1 3.8Å; F470-L473 HydrophobicContact CZ-CD1 4.17Å; L473-L478 HydrophobicContact CD1-CB 4.22Å; L473-L478 HydrophobicContact CD1-CD1 4.26Å; L473-L481 HydrophobicContact CD1-CD1 4.26Å
474T98.9Very high98.9Very high26 Ų269.9 Ų9.916%0.165%0.053CC..  trans-86.5165173.566.40000110.4K472 Y476 I477 L478K472-T474 HydrophobicContact CB-CG2 4.14Å; K472-T474 HydrophobicContact CG-CG2 4.2Å; K472-T474 PolarHBondContact O-N 3.16Å; T474-Y476 PolarHBondContact O-N 3.22Å; T474-I477 PolarHBondContact O-N 2.97Å; T474-I477 PolarHBondContact OG1-N 3.38Å; T474-L478 WeakPolarHBondContact O-CB 3.47Å; T474-L478 PolarHBondContact O-N 2.92Å
475P98.9Very high98.9Very high3 Ų39.9 Ų9.92%0.0195%0.053CC..Hα-helixtrans-52.5-43.3172-2533.1000111.7L163 Y166 N283 K286 L287 L478 G479L163-P475 HydrophobicContact CD1-CB 3.87Å; L163-P475 HydrophobicContact CD1-CG 4.06Å; L163-P475 HydrophobicContact CD2-CB 4.35Å; L163-P475 HydrophobicContact CD2-CG 4.11Å; Y166-P475 HydrophobicContact CD1-CG 4.34Å; Y166-P475 HydrophobicContact CD2-CG 4.23Å; Y166-P475 HydrophobicContact CE1-CG 4.48Å; Y166-P475 HydrophobicContact CE2-CG 4.37Å; Y166-P475 HydrophobicContact CG-CG 4.21Å; N283-P475 HydrophobicContact CB-CB 4.37Å; N283-P475 HydrophobicContact CB-CG 3.89Å; N283-P475 WeakPolarHBondContact O-CB 3.47Å; K286-P475 HydrophobicContact CB-CB 4.09Å; L287-P475 WeakPolarHBondContact CA-O 3.49Å; L287-P475 HydrophobicContact CB-CB 4.23Å; L287-P475 VanDerWaalsContact CD1-O 3.28Å; L287-P475 WeakPolarHBondContact CD1-O 3.35Å; P475-L478 PolarHBondContact O-N 3.03Å; P475-G479 PolarHBondContact O-N 2.76Å
476Y98.9Very high98.9Very high17 Ų1710 Ų107%0.0675%0.053CC..Hα-helixtrans-60.2-53.1176.9-172.9-75.4000112.7L38 P39 K286 E289 G290 E293 T474 L478 G479 A480L38-Y476 HydrophobicContact CB-CE1 3.66Å; L38-Y476 HydrophobicContact CD1-CE1 3.94Å; L38-Y476 HydrophobicContact CG-CE1 4.39Å; P39-Y476 WeakPolarHBondContact CD-OH 3.41Å; K286-Y476 VanDerWaalsContact O-CA 3.22Å; K286-Y476 WeakPolarHBondContact O-CA 3.49Å; E289-Y476 HydrophobicContact CB-CD2 3.87Å; E289-Y476 HydrophobicContact CB-CE2 3.83Å; G290-Y476 VanDerWaalsContact CA-O 3.32Å; G290-Y476 WeakPolarHBondContact CA-O 3.44Å; E293-Y476 HydrophobicContact CG-CE2 4.48Å; E293-Y476 WeakPolarHBondContact CG-OH 3.19Å; T474-Y476 PolarHBondContact O-N 3.22Å; Y476-L478 VanDerWaalsContact C-N 3.32Å; Y476-L478 PolarHBondContact O-N 2.88Å; Y476-G479 PolarHBondContact O-N 3.4Å; Y476-G479 VanDerWaalsContact O-N 3.13Å; Y476-A480 PolarHBondContact O-N 3.32Å
477I98.9Very high98.9Very high0 Ų09.6 Ų9.60%05%0.051CC..Hα-helixtrans-65.2-37.9-179-69.7-66.4000111.4L38 I43 F470 K472 T474 G479 A480 L481L38-I477 HydrophobicContact CD1-CD1 4.41Å; I43-I477 HydrophobicContact CD1-CD1 4.42Å; I43-I477 HydrophobicContact CG1-CD1 4.14Å; F470-I477 HydrophobicContact CB-CG2 3.87Å; F470-I477 HydrophobicContact CD2-CG2 3.61Å; F470-I477 HydrophobicContact CE2-CG2 4.39Å; F470-I477 HydrophobicContact CG-CG2 3.86Å; K472-I477 WeakPolarHBondContact O-CB 3.45Å; K472-I477 WeakPolarHBondContact O-CG2 3.33Å; T474-I477 PolarHBondContact O-N 2.97Å; T474-I477 PolarHBondContact OG1-N 3.38Å; I477-G479 VanDerWaalsContact C-N 3.29Å; I477-G479 PolarHBondContact O-N 2.99Å; I477-A480 PolarHBondContact O-N 3.01Å; I477-L481 HydrophobicContact CG2-CD1 3.95Å; I477-L481 HydrophobicContact CG2-CG 4.25Å; I477-L481 VanDerWaalsContact O-CG 3.28Å; I477-L481 WeakPolarHBondContact O-CG 3.11Å; I477-L481 PolarHBondContact O-N 3.27Å
478L99Very high98.9Very high0 Ų09.4 Ų9.40%05%0.049CC..Hα-helixtrans-58.8-43.2173.4178.463.1000111.3M158 V159 C162 L163 L287 F339 L473 T474 P475 Y476 A480 L481 I482M158-L478 HydrophobicContact SD-CD1 4.33Å; V159-L478 HydrophobicContact CB-CD2 4.44Å; V159-L478 HydrophobicContact CG1-CD2 4Å; V159-L478 HydrophobicContact CG2-CD2 4.35Å; C162-L478 HydrophobicContact CB-CD1 4.18Å; C162-L478 HydrophobicContact CB-CD2 3.52Å; C162-L478 HydrophobicContact CB-CG 4.49Å; L163-L478 HydrophobicContact CD1-CD2 4Å; L163-L478 HydrophobicContact CD2-CB 4.37Å; L163-L478 HydrophobicContact CD2-CD2 3.79Å; L163-L478 HydrophobicContact CG-CD2 3.66Å; L287-L478 HydrophobicContact CD1-CB 4.26Å; L287-L478 HydrophobicContact CD1-CD2 4.25Å; L287-L478 HydrophobicContact CD1-CG 4.15Å; F339-L478 HydrophobicContact CD2-CD1 4.41Å; F339-L478 HydrophobicContact CE2-CD1 4.17Å; L473-L478 HydrophobicContact CD1-CB 4.22Å; L473-L478 HydrophobicContact CD1-CD1 4.26Å; T474-L478 WeakPolarHBondContact O-CB 3.47Å; T474-L478 PolarHBondContact O-N 2.92Å; P475-L478 PolarHBondContact O-N 3.03Å; Y476-L478 VanDerWaalsContact C-N 3.32Å; Y476-L478 PolarHBondContact O-N 2.88Å; L478-A480 PolarHBondContact O-N 2.87Å; L478-L481 PolarHBondContact O-N 3.34Å; L478-I482 HydrophobicContact CD1-CD1 3.91Å; L478-I482 HydrophobicContact CD1-CG1 4.07Å; L478-I482 HydrophobicContact CD2-CD1 4.44Å; L478-I482 HydrophobicContact CG-CD1 3.75Å; L478-I482 HydrophobicContact CG-CG1 4.36Å; L478-I482 VanDerWaalsContact O-CG1 3.26Å; L478-I482 WeakPolarHBondContact O-CG1 3.49Å; L478-I482 PolarHBondContact O-N 2.82Å
479G98.9Very high98.9Very high0 Ų09.4 Ų9.40%05%0.049CC..Hα-helixtrans-58.5-47.5176.700000112.4L287 A291 P475 Y476 I477 L481 I482 A483L287-G479 WeakPolarHBondContact O-CA 3.22Å; A291-G479 WeakPolarHBondContact CA-O 3.47Å; A291-G479 WeakPolarHBondContact CB-O 3.31Å; P475-G479 PolarHBondContact O-N 2.76Å; Y476-G479 PolarHBondContact O-N 3.4Å; Y476-G479 VanDerWaalsContact O-N 3.13Å; I477-G479 VanDerWaalsContact C-N 3.29Å; I477-G479 PolarHBondContact O-N 2.99Å; G479-L481 PolarHBondContact O-N 2.93Å; G479-I482 PolarHBondContact O-N 2.9Å; G479-A483 WeakPolarHBondContact O-CB 3.2Å; G479-A483 PolarHBondContact O-N 2.86Å
480A98.9Very high98.9Very high0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-61.6-42.8176.700000112.2L38 I43 G290 M294 Y476 I477 L478 M484L38-A480 HydrophobicContact CD1-CB 3.78Å; I43-A480 HydrophobicContact CD1-CB 3.86Å; G290-A480 WeakPolarHBondContact O-CA 3.28Å; G290-A480 WeakPolarHBondContact O-CB 3.35Å; M294-A480 HydrophobicContact CB-CB 4.36Å; M294-A480 HydrophobicContact CE-CB 4.23Å; M294-A480 WeakPolarHBondContact CG-O 3.19Å; Y476-A480 PolarHBondContact O-N 3.32Å; I477-A480 PolarHBondContact O-N 3.01Å; L478-A480 PolarHBondContact O-N 2.87Å; A480-M484 WeakPolarHBondContact O-CB 3.5Å; A480-M484 PolarHBondContact O-N 3.07Å
481L99Very high98.9Very high0 Ų08.1 Ų8.10%04%0.041CC..Hα-helixtrans-64.4-44.7178.3-71.1171.5000111.9I43 F339 I468 F470 L473 I477 L478 G479 M484 Y485I43-L481 HydrophobicContact CD1-CD2 4.2Å; I43-L481 HydrophobicContact CD1-CG 4.48Å; I43-L481 HydrophobicContact CG2-CD2 4.47Å; F339-L481 HydrophobicContact CZ-CB 4.46Å; I468-L481 HydrophobicContact CG2-CD2 3.87Å; F470-L481 HydrophobicContact CD1-CD1 3.83Å; F470-L481 HydrophobicContact CD1-CD2 4.12Å; F470-L481 HydrophobicContact CD2-CD1 4.3Å; F470-L481 HydrophobicContact CE1-CD1 3.67Å; F470-L481 HydrophobicContact CE1-CD2 4.45Å; F470-L481 HydrophobicContact CE2-CD1 4.14Å; F470-L481 HydrophobicContact CG-CD1 4.14Å; F470-L481 HydrophobicContact CZ-CD1 3.83Å; L473-L481 HydrophobicContact CD1-CD1 4.26Å; I477-L481 HydrophobicContact CG2-CD1 3.95Å; I477-L481 HydrophobicContact CG2-CG 4.25Å; I477-L481 VanDerWaalsContact O-CG 3.28Å; I477-L481 WeakPolarHBondContact O-CG 3.11Å; I477-L481 PolarHBondContact O-N 3.27Å; L478-L481 PolarHBondContact O-N 3.34Å; G479-L481 PolarHBondContact O-N 2.93Å; L481-M484 HydrophobicContact CD2-CE 3.93Å; L481-M484 WeakPolarHBondContact O-CB 3.19Å; L481-M484 PolarHBondContact O-N 3.46Å; L481-Y485 WeakPolarHBondContact O-CD2 3.47Å; L481-Y485 PolarHBondContact O-N 2.88Å
482I99Very high98.9Very high0 Ų06 Ų60%03%0.028CC..Hα-helixtrans-63.5-49.7179.2-61.3159.2000109.7M158 V159 W268 L287 F339 Y342 F343 L478 G479 M484 Y485 E486M158-I482 HydrophobicContact CE-CD1 3.64Å; M158-I482 HydrophobicContact CE-CG1 3.92Å; M158-I482 HydrophobicContact SD-CD1 4.36Å; V159-I482 HydrophobicContact CG2-CD1 4.05Å; W268-I482 HydrophobicContact CH2-CB 3.8Å; W268-I482 HydrophobicContact CH2-CD1 4.03Å; W268-I482 HydrophobicContact CH2-CG2 3.9Å; W268-I482 HydrophobicContact CZ2-CB 3.89Å; W268-I482 HydrophobicContact CZ2-CG2 3.45Å; W268-I482 VanDerWaalsContact CZ2-CG2 3.45Å; L287-I482 HydrophobicContact CD1-CD1 4.5Å; F339-I482 HydrophobicContact CE2-CG1 4.16Å; Y342-I482 HydrophobicContact CE1-CG2 3.75Å; F343-I482 HydrophobicContact CZ-CB 4.41Å; F343-I482 HydrophobicContact CZ-CG2 3.98Å; L478-I482 HydrophobicContact CD1-CD1 3.91Å; L478-I482 HydrophobicContact CD1-CG1 4.07Å; L478-I482 HydrophobicContact CD2-CD1 4.44Å; L478-I482 HydrophobicContact CG-CD1 3.75Å; L478-I482 HydrophobicContact CG-CG1 4.36Å; L478-I482 VanDerWaalsContact O-CG1 3.26Å; L478-I482 WeakPolarHBondContact O-CG1 3.49Å; L478-I482 PolarHBondContact O-N 2.82Å; G479-I482 PolarHBondContact O-N 2.9Å; I482-M484 PolarHBondContact O-N 2.88Å; I482-Y485 PolarHBondContact O-N 3.33Å; I482-Y485 VanDerWaalsContact O-N 3.11Å; I482-E486 HydrophobicContact CG2-CG 4.38Å; I482-E486 WeakPolarHBondContact O-CG 3.24Å; I482-E486 PolarHBondContact O-N 2.7Å
483A98.9Very high98.9Very high0 Ų02.7 Ų2.70%01%0.014CC..Hα-helixtrans-58.6-34.6177.900000112.7A291 M294 G479 Y485 E486 H487A291-A483 HydrophobicContact CB-CB 3.97Å; M294-A483 HydrophobicContact CB-CB 3.81Å; M294-A483 HydrophobicContact CG-CB 3.9Å; G479-A483 WeakPolarHBondContact O-CB 3.2Å; G479-A483 PolarHBondContact O-N 2.86Å; A483-Y485 VanDerWaalsContact C-N 3.33Å; A483-Y485 PolarHBondContact O-N 3.17Å; A483-E486 PolarHBondContact O-N 3.14Å; A483-H487 PolarHBondContact O-CD2 2.82Å; A483-H487 PolarHBondContact O-N 2.87Å
484M99Very high98.9Very high0 Ų03.2 Ų3.20%02%0.016CC..Hα-helixtrans-60.6-43.5176.8-178178.565.800111.6M294 L307 P308 L311 I468 A480 L481 I482 K488M294-M484 HydrophobicContact CE-CB 3.96Å; M294-M484 HydrophobicContact CE-CG 4.37Å; M294-M484 HydrophobicContact CE-SD 4.44Å; M294-M484 HydrophobicContact CG-CB 4.01Å; M294-M484 HydrophobicContact SD-CB 3.92Å; M294-M484 HydrophobicContact SD-CG 4.24Å; L307-M484 HydrophobicContact CB-CG 4.44Å; L307-M484 HydrophobicContact CB-SD 4.04Å; L307-M484 HydrophobicContact CD2-SD 3.95Å; L307-M484 HydrophobicContact CG-SD 4.49Å; P308-M484 HydrophobicContact CG-CG 4.12Å; L311-M484 HydrophobicContact CD1-CE 3.94Å; L311-M484 HydrophobicContact CD1-CG 4Å; L311-M484 HydrophobicContact CD1-SD 3.9Å; I468-M484 HydrophobicContact CD1-CE 3.98Å; I468-M484 HydrophobicContact CG2-CE 4.11Å; A480-M484 WeakPolarHBondContact O-CB 3.5Å; A480-M484 PolarHBondContact O-N 3.07Å; L481-M484 HydrophobicContact CD2-CE 3.93Å; L481-M484 WeakPolarHBondContact O-CB 3.19Å; L481-M484 PolarHBondContact O-N 3.46Å; I482-M484 PolarHBondContact O-N 2.88Å; M484-K488 PolarHBondContact O-N 3.23Å
485Y99Very high98.9Very high1 Ų12.1 Ų2.10%0.0041%0.01CC..Hα-helixtrans-74.6-35.1176.4-83-92.3000112.6I329 F339 F343 D396 L398 I468 L481 I482 A483 H487 K488 I489I329-Y485 HydrophobicContact CD1-CE1 4.01Å; I329-Y485 HydrophobicContact CG1-CE1 4.45Å; F339-Y485 HydrophobicContact CE1-CD2 4.36Å; F339-Y485 HydrophobicContact CE1-CE2 4.04Å; F339-Y485 HydrophobicContact CZ-CD2 4.25Å; F339-Y485 HydrophobicContact CZ-CE2 4.25Å; F343-Y485 HydrophobicContact CD1-CG 4.43Å; F343-Y485 HydrophobicContact CD2-CG 4.4Å; F343-Y485 HydrophobicContact CE1-CG 4.12Å; F343-Y485 HydrophobicContact CE2-CD2 4.19Å; F343-Y485 HydrophobicContact CE2-CG 4.07Å; F343-Y485 HydrophobicContact CZ-CD2 4.31Å; F343-Y485 AromaticContact CZ-CG 3.94Å; F343-Y485 HydrophobicContact CZ-CG 3.94Å; D396-Y485 VanDerWaalsContact CB-OH 3.24Å; D396-Y485 WeakPolarHBondContact CB-OH 3.42Å; D396-Y485 PolarHBondContact OD2-OH 3.21Å; D396-Y485 VanDerWaalsContact OD2-OH 3.14Å; L398-Y485 HydrophobicContact CD2-CE2 4.09Å; I468-Y485 HydrophobicContact CD1-CE2 4.26Å; I468-Y485 WeakPolarHBondContact CD1-OH 3.33Å; L481-Y485 WeakPolarHBondContact O-CD2 3.47Å; L481-Y485 PolarHBondContact O-N 2.88Å; I482-Y485 PolarHBondContact O-N 3.33Å; I482-Y485 VanDerWaalsContact O-N 3.11Å; A483-Y485 VanDerWaalsContact C-N 3.33Å; A483-Y485 PolarHBondContact O-N 3.17Å; Y485-H487 VanDerWaalsContact C-N 3.29Å; Y485-H487 PolarHBondContact O-N 3.14Å; Y485-K488 HydrophobicContact CD1-CD 3.85Å; Y485-K488 HydrophobicContact CE1-CD 4.23Å; Y485-K488 WeakPolarHBondContact O-CB 3.5Å; Y485-K488 PolarHBondContact O-N 3.3Å; Y485-I489 WeakPolarHBondContact O-CB 3.4Å; Y485-I489 VanDerWaalsContact O-CD1 3.28Å; Y485-I489 WeakPolarHBondContact O-CD1 3.27Å; Y485-I489 WeakPolarHBondContact O-CG1 3.32Å; Y485-I489 PolarHBondContact O-N 2.83Å
486E98.9Very high98.9Very high2 Ų22 Ų21%0.0091%0.009CC..Hα-helixtrans-56.7-45.5172.7-68.1176.9156.400111.2H92 R96 Y265 W268 I482 A483 I489 F490H92-E486 IonicContact CD2-OE2 2.85Å; R96-E486 IonicContact CZ-OE2 2.82Å; R96-E486 IonicContact NH1-OE1 2.57Å; R96-E486 IonicContact NH1-OE2 3.28Å; R96-E486 PolarHBondContact NH1-OE2 3.35Å; R96-E486 IonicContact NH2-OE2 2.68Å; R96-E486 PolarHBondContact NH2-OE2 2.87Å; Y265-E486 HydrophobicContact CD1-CB 4.24Å; Y265-E486 HydrophobicContact CD1-CG 3.75Å; Y265-E486 HydrophobicContact CE1-CB 3.9Å; Y265-E486 HydrophobicContact CE1-CG 3.74Å; W268-E486 PolarHBondContact NE1-OE1 3.33Å; I482-E486 HydrophobicContact CG2-CG 4.38Å; I482-E486 WeakPolarHBondContact O-CG 3.24Å; I482-E486 PolarHBondContact O-N 2.7Å; A483-E486 PolarHBondContact O-N 3.14Å; E486-I489 PolarHBondContact O-N 3.43Å; E486-F490 PolarHBondContact O-N 3.4Å
487H99Very high98.9Very high0 Ų03.6 Ų3.60%02%0.019CC..Hα-helixtrans-71.4-33.9176.9-65.4-38.6000112.8D295 F298 P308 A483 Y485 I489 F490 V491D295-H487 IonicContact OD1-CD2 2.67Å; D295-H487 IonicContact OD1-CE1 2.81Å; D295-H487 PolarHBondContact OD1-CE1 3.09Å; D295-H487 IonicContact OD1-NE2 3.78Å; D295-H487 PolarHBondContact OD1-NE2 2.86Å; F298-H487 HydrophobicContact CD1-CB 3.88Å; F298-H487 AromaticContact CD1-CD2 3.74Å; F298-H487 AromaticContact CD1-CE1 3.75Å; F298-H487 AromaticContact CD1-CG 3.37Å; F298-H487 AromaticContact CD1-ND1 3.37Å; F298-H487 WeakPolarHBondContact CD1-ND1 3.35Å; F298-H487 AromaticContact CD1-NE2 3.94Å; F298-H487 HydrophobicContact CD2-CB 4.12Å; F298-H487 HydrophobicContact CE1-CB 4.07Å; F298-H487 AromaticContact CE1-CG 3.84Å; F298-H487 AromaticContact CE1-ND1 3.6Å; F298-H487 HydrophobicContact CE2-CB 4.34Å; F298-H487 HydrophobicContact CG-CB 3.91Å; F298-H487 AromaticContact CG-CD2 3.85Å; F298-H487 AromaticContact CG-CG 3.69Å; F298-H487 HydrophobicContact CZ-CB 4.33Å; P308-H487 HydrophobicContact CB-CB 3.53Å; P308-H487 HydrophobicContact CG-CB 3.83Å; A483-H487 PolarHBondContact O-CD2 2.82Å; A483-H487 PolarHBondContact O-N 2.87Å; Y485-H487 VanDerWaalsContact C-N 3.29Å; Y485-H487 PolarHBondContact O-N 3.14Å; H487-I489 VanDerWaalsContact C-N 3.34Å; H487-I489 PolarHBondContact O-N 3.1Å; H487-F490 WeakPolarHBondContact O-CB 3.32Å; H487-F490 PolarHBondContact O-N 2.84Å; H487-V491 VanDerWaalsContact O-CG2 3.27Å; H487-V491 WeakPolarHBondContact O-CG2 3.48Å; H487-V491 PolarHBondContact O-N 3.48Å
488K98.9Very high98.8Very high3 Ų33.6 Ų3.61%0.0132%0.019CC..Hα-helixtrans-55.2-51.9169.9173.8-161.9177.8-179.80110.1L311 A312 D396 M484 Y485 F490 V491 Q492L311-K488 HydrophobicContact CB-CB 4.37Å; L311-K488 HydrophobicContact CB-CD 3.96Å; L311-K488 HydrophobicContact CB-CG 3.91Å; A312-K488 HydrophobicContact CB-CG 4.17Å; A312-K488 WeakPolarHBondContact CB-O 3.32Å; D396-K488 IonicContact OD2-NZ 3.59Å; D396-K488 PolarHBondContact OD2-NZ 2.99Å; M484-K488 PolarHBondContact O-N 3.23Å; Y485-K488 HydrophobicContact CD1-CD 3.85Å; Y485-K488 HydrophobicContact CE1-CD 4.23Å; Y485-K488 WeakPolarHBondContact O-CB 3.5Å; Y485-K488 PolarHBondContact O-N 3.3Å; K488-F490 VanDerWaalsContact C-N 3.32Å; K488-F490 PolarHBondContact O-N 2.89Å; K488-V491 PolarHBondContact O-N 2.92Å; K488-Q492 WeakPolarHBondContact O-CG 3.43Å; K488-Q492 PolarHBondContact O-N 3.1Å; K488-Q492 VanDerWaalsContact O-N 3.1Å
489I99Very high98.8Very high0 Ų03.7 Ų3.70%02%0.019CC..Hα-helixtrans-60.6-43.6-179-68.7157.8000110.4Y265 F343 D347 N351 Y485 E486 H487 Q492 G493Y265-I489 WeakPolarHBondContact OH-CG2 3.27Å; F343-I489 HydrophobicContact CD1-CD1 3.93Å; F343-I489 HydrophobicContact CE1-CD1 4.18Å; D347-I489 HydrophobicContact CB-CD1 3.97Å; D347-I489 HydrophobicContact CB-CG1 4.06Å; N351-I489 WeakPolarHBondContact ND2-CG2 3.27Å; N351-I489 PolarHBondContact ND2-O 3.25Å; Y485-I489 WeakPolarHBondContact O-CB 3.4Å; Y485-I489 VanDerWaalsContact O-CD1 3.28Å; Y485-I489 WeakPolarHBondContact O-CD1 3.27Å; Y485-I489 WeakPolarHBondContact O-CG1 3.32Å; Y485-I489 PolarHBondContact O-N 2.83Å; E486-I489 PolarHBondContact O-N 3.43Å; H487-I489 VanDerWaalsContact C-N 3.34Å; H487-I489 PolarHBondContact O-N 3.1Å; I489-Q492 PolarHBondContact O-N 2.92Å; I489-G493 PolarHBondContact O-N 3.28Å
490F98.9Very high98.8Very high2 Ų23.8 Ų3.81%0.0092%0.02CC..Hα-helixtrans-57.2-53.2174.7168-99.5000112.1M72 R73 M76 I82 F298 E486 H487 K488 Q492 G493 I494 F501M72-F490 HydrophobicContact CB-CZ 3.87Å; M72-F490 WeakPolarHBondContact O-CZ 3.38Å; R73-F490 HydrophobicContact CB-CE1 4.01Å; R73-F490 HydrophobicContact CB-CZ 4.43Å; M76-F490 HydrophobicContact CB-CE2 4.46Å; M76-F490 HydrophobicContact SD-CD2 4Å; M76-F490 HydrophobicContact SD-CE2 4.08Å; M76-F490 HydrophobicContact SD-CG 4.43Å; I82-F490 HydrophobicContact CD1-CE2 3.95Å; F298-F490 AromaticContact CE1-CD1 3.91Å; F298-F490 HydrophobicContact CE1-CD1 3.91Å; F298-F490 HydrophobicContact CE1-CE1 4.14Å; F298-F490 AromaticContact CZ-CD1 3.63Å; F298-F490 HydrophobicContact CZ-CD1 3.63Å; F298-F490 AromaticContact CZ-CE1 3.84Å; F298-F490 HydrophobicContact CZ-CE1 3.84Å; E486-F490 PolarHBondContact O-N 3.4Å; H487-F490 WeakPolarHBondContact O-CB 3.32Å; H487-F490 PolarHBondContact O-N 2.84Å; K488-F490 VanDerWaalsContact C-N 3.32Å; K488-F490 PolarHBondContact O-N 2.89Å; F490-Q492 VanDerWaalsContact C-N 3.29Å; F490-Q492 PolarHBondContact O-N 3.28Å; F490-G493 PolarHBondContact O-N 3.07Å; F490-G493 VanDerWaalsContact O-N 3.12Å; F490-I494 HydrophobicContact CD1-CG1 4.41Å; F490-I494 HydrophobicContact CD2-CD1 4.37Å; F490-I494 HydrophobicContact CD2-CG1 4.16Å; F490-I494 HydrophobicContact CE1-CG1 3.94Å; F490-I494 HydrophobicContact CE2-CD1 3.76Å; F490-I494 HydrophobicContact CE2-CG1 3.71Å; F490-I494 HydrophobicContact CZ-CD1 3.99Å; F490-I494 HydrophobicContact CZ-CG1 3.58Å; F490-I494 WeakPolarHBondContact O-CG1 3.23Å; F490-I494 PolarHBondContact O-N 3.34Å; F490-F501 AromaticContact CD2-CE2 3.93Å; F490-F501 HydrophobicContact CD2-CE2 3.93Å; F490-F501 AromaticContact CD2-CZ 3.7Å; F490-F501 HydrophobicContact CD2-CZ 3.7Å; F490-F501 HydrophobicContact CE2-CE2 4.33Å; F490-F501 HydrophobicContact CE2-CZ 4.44Å
491V98.9Very high98.8Very high0 Ų04.4 Ų4.40%02%0.022CC..Hα-helixtrans-58.6-42.7-177.7172.50000111.1V69 F298 V309 A312 H487 K488 I494 I495V69-V491 HydrophobicContact CG1-CB 4.43Å; V69-V491 HydrophobicContact CG1-CG1 4.05Å; V69-V491 HydrophobicContact CG1-CG2 3.84Å; V69-V491 HydrophobicContact CG2-CG1 4Å; F298-V491 HydrophobicContact CE2-CG2 3.65Å; F298-V491 HydrophobicContact CZ-CG2 3.79Å; V309-V491 HydrophobicContact CG2-CG2 4.04Å; A312-V491 HydrophobicContact CB-CB 3.54Å; A312-V491 HydrophobicContact CB-CG1 3.44Å; A312-V491 VanDerWaalsContact CB-CG1 3.44Å; H487-V491 VanDerWaalsContact O-CG2 3.27Å; H487-V491 WeakPolarHBondContact O-CG2 3.48Å; H487-V491 PolarHBondContact O-N 3.48Å; K488-V491 PolarHBondContact O-N 2.92Å; V491-I494 PolarHBondContact O-N 2.7Å; V491-I495 HydrophobicContact CG1-CD1 3.95Å; V491-I495 WeakPolarHBondContact O-CG1 3.32Å; V491-I495 PolarHBondContact O-N 3.35Å
492Q98.9Very high98.8Very high2 Ų24.8 Ų4.81%0.0093%0.025CC..Hα-helixtrans-61.9-45.5176.3-67.6-174.9-3200112.2A312 V316 K488 I489 F490 I494 I495 W496A312-Q492 HydrophobicContact CB-CG 3.74Å; A312-Q492 PolarHBondContact O-NE2 3.22Å; V316-Q492 HydrophobicContact CG2-CG 4.13Å; K488-Q492 WeakPolarHBondContact O-CG 3.43Å; K488-Q492 PolarHBondContact O-N 3.1Å; K488-Q492 VanDerWaalsContact O-N 3.1Å; I489-Q492 PolarHBondContact O-N 2.92Å; F490-Q492 VanDerWaalsContact C-N 3.29Å; F490-Q492 PolarHBondContact O-N 3.28Å; Q492-I494 VanDerWaalsContact C-N 3.29Å; Q492-I494 PolarHBondContact O-N 2.9Å; Q492-I495 PolarHBondContact O-N 2.93Å; Q492-W496 HydrophobicContact CB-CE3 3.92Å; Q492-W496 HydrophobicContact CB-CH2 3.81Å; Q492-W496 HydrophobicContact CB-CZ2 4.43Å; Q492-W496 HydrophobicContact CB-CZ3 3.52Å; Q492-W496 HydrophobicContact CG-CH2 4.27Å; Q492-W496 HydrophobicContact CG-CZ3 4.44Å; Q492-W496 PolarHBondContact O-N 3.44Å
493G98.8Very high98.7Very high0 Ų07.4 Ų7.40%04%0.037CC..Hα-helixtrans-60-37176.700000113.5I489 F490 N497 I498 S500I489-G493 PolarHBondContact O-N 3.28Å; F490-G493 PolarHBondContact O-N 3.07Å; F490-G493 VanDerWaalsContact O-N 3.12Å; G493-N497 PolarHBondContact O-N 3Å; G493-N497 VanDerWaalsContact O-N 3.08Å; G493-I498 WeakPolarHBondContact O-CG1 3.43Å; G493-I498 PolarHBondContact O-N 2.92Å; G493-S500 WeakPolarHBondContact CA-OG 3.33Å
494I98.7Very high98.6Very high11 Ų1113.1 Ų13.16%0.0566%0.059CC..Hα-helixtrans-66.6-45.8173.9-61.5-47.3000111.5S67 V69 M72 F490 V491 Q492 W496 N497S67-I494 WeakPolarHBondContact O-CG2 3.17Å; V69-I494 HydrophobicContact CG2-CB 4.33Å; V69-I494 HydrophobicContact CG2-CG2 4.01Å; M72-I494 HydrophobicContact CB-CD1 3.76Å; M72-I494 HydrophobicContact CB-CG1 3.84Å; M72-I494 HydrophobicContact CB-CG2 4.03Å; M72-I494 HydrophobicContact CE-CD1 3.66Å; M72-I494 HydrophobicContact CG-CD1 3.87Å; M72-I494 HydrophobicContact CG-CG1 4.25Å; M72-I494 HydrophobicContact CG-CG2 3.82Å; F490-I494 HydrophobicContact CD1-CG1 4.41Å; F490-I494 HydrophobicContact CD2-CD1 4.37Å; F490-I494 HydrophobicContact CD2-CG1 4.16Å; F490-I494 HydrophobicContact CE1-CG1 3.94Å; F490-I494 HydrophobicContact CE2-CD1 3.76Å; F490-I494 HydrophobicContact CE2-CG1 3.71Å; F490-I494 HydrophobicContact CZ-CD1 3.99Å; F490-I494 HydrophobicContact CZ-CG1 3.58Å; F490-I494 WeakPolarHBondContact O-CG1 3.23Å; F490-I494 PolarHBondContact O-N 3.34Å; V491-I494 PolarHBondContact O-N 2.7Å; Q492-I494 VanDerWaalsContact C-N 3.29Å; Q492-I494 PolarHBondContact O-N 2.9Å; I494-W496 VanDerWaalsContact C-N 3.3Å; I494-W496 PolarHBondContact O-N 3.01Å; I494-N497 WeakPolarHBondContact O-CA 3.45Å; I494-N497 PolarHBondContact O-N 3.34Å
495I98.8Very high98.5Very high4 Ų416.9 Ų16.92%0.02110%0.097CC..Hα-helixtrans-60.2-41.4177.5-69.1167.7000111.3L4 L63 V69 V313 V316 V491 Q492 N497L4-I495 HydrophobicContact CD1-CG2 4.3Å; L63-I495 HydrophobicContact CD1-CG2 4.13Å; L63-I495 HydrophobicContact CD2-CG2 3.95Å; L63-I495 HydrophobicContact CG-CG2 4.07Å; V69-I495 HydrophobicContact CG2-CG1 4.11Å; V313-I495 HydrophobicContact CG1-CD1 4.11Å; V316-I495 HydrophobicContact CG1-CG2 4.07Å; V316-I495 HydrophobicContact CG2-CB 4.43Å; V316-I495 HydrophobicContact CG2-CD1 4.06Å; V316-I495 HydrophobicContact CG2-CG2 4.16Å; V491-I495 HydrophobicContact CG1-CD1 3.95Å; V491-I495 WeakPolarHBondContact O-CG1 3.32Å; V491-I495 PolarHBondContact O-N 3.35Å; Q492-I495 PolarHBondContact O-N 2.93Å; I495-N497 PolarHBondContact O-N 2.9Å
496W98.7Very high98.3Very high0 Ų019.4 Ų19.40%011%0.113CC..THydrogen-bonded Turntrans-76.2-4175.3-65.3-41.6000113.9V316 I319 N320 N351 Y364 S365 T366 Q492 I494 I498V316-W496 HydrophobicContact CG2-CZ2 4.18Å; I319-W496 HydrophobicContact CB-CZ2 4.47Å; I319-W496 HydrophobicContact CD1-CH2 3.67Å; I319-W496 HydrophobicContact CD1-CZ2 3.62Å; I319-W496 HydrophobicContact CG2-CZ2 4.21Å; N320-W496 PolarHBondContact OD1-NE1 2.99Å; N351-W496 HydrophobicContact CB-CE3 4.24Å; N351-W496 HydrophobicContact CB-CZ3 3.78Å; Y364-W496 AromaticContact CD2-CD1 3.99Å; Y364-W496 HydrophobicContact CE2-CB 4.03Å; Y364-W496 AromaticContact CE2-CD1 3.88Å; Y364-W496 HydrophobicContact CE2-CG 4.27Å; Y364-W496 PolarHBondContact OH-O 3.37Å; S365-W496 PolarHBondContact O-NE1 3.13Å; T366-W496 HydrophobicContact CG2-CB 4.15Å; T366-W496 HydrophobicContact CG2-CD2 4.31Å; T366-W496 HydrophobicContact CG2-CG 4.1Å; T366-W496 WeakPolarHBondContact O-CH2 3.5Å; T366-W496 WeakPolarHBondContact O-CZ2 3.47Å; Q492-W496 HydrophobicContact CB-CE3 3.92Å; Q492-W496 HydrophobicContact CB-CH2 3.81Å; Q492-W496 HydrophobicContact CB-CZ2 4.43Å; Q492-W496 HydrophobicContact CB-CZ3 3.52Å; Q492-W496 HydrophobicContact CG-CH2 4.27Å; Q492-W496 HydrophobicContact CG-CZ3 4.44Å; Q492-W496 PolarHBondContact O-N 3.44Å; I494-W496 VanDerWaalsContact C-N 3.3Å; I494-W496 PolarHBondContact O-N 3.01Å; W496-I498 VanDerWaalsContact C-N 3.25Å; W496-I498 HydrophobicContact CB-CD1 4.32Å; W496-I498 HydrophobicContact CB-CG1 4.05Å; W496-I498 HydrophobicContact CB-CG2 4.26Å; W496-I498 HydrophobicContact CE3-CD1 4.06Å; W496-I498 PolarHBondContact O-N 3.32Å
497N98.1Very high98Very high50 Ų5024.1 Ų24.127%0.26714%0.135SC..THydrogen-bonded Turntrans54.636.8-177.4-167.134.5000113.5R356 R357 G493 I494 I495R356-N497 CarbonylContact C-O 3.51Å; R356-N497 WeakPolarHBondContact CA-O 3.27Å; R356-N497 WeakPolarHBondContact CB-O 3.23Å; R357-N497 VanDerWaalsContact CB-OD1 3.32Å; R357-N497 WeakPolarHBondContact CB-OD1 3Å; R357-N497 PolarHBondContact N-O 3.35Å; G493-N497 PolarHBondContact O-N 3Å; G493-N497 VanDerWaalsContact O-N 3.08Å; I494-N497 WeakPolarHBondContact O-CA 3.45Å; I494-N497 PolarHBondContact O-N 3.34Å; I495-N497 PolarHBondContact O-N 2.9Å
498I98.6Very high97.9Very high0 Ų030 Ų300%017%0.165CC..BIsolated β-bridgetrans-106.2175.8179.659170.2000111.4N351 K353 R357 V362 T366 G493 W496N351-I498 HydrophobicContact CB-CD1 4.07Å; K353-I498 HydrophobicContact CB-CB 4.11Å; K353-I498 HydrophobicContact CB-CD1 3.87Å; K353-I498 HydrophobicContact CB-CG2 4.18Å; K353-I498 HydrophobicContact CG-CD1 4.07Å; R357-I498 PolarHBondContact NH2-O 3.19Å; V362-I498 HydrophobicContact CG1-CG2 4.32Å; T366-I498 HydrophobicContact CG2-CG2 4.34Å; G493-I498 WeakPolarHBondContact O-CG1 3.43Å; G493-I498 PolarHBondContact O-N 2.92Å; W496-I498 VanDerWaalsContact C-N 3.25Å; W496-I498 HydrophobicContact CB-CD1 4.32Å; W496-I498 HydrophobicContact CB-CG1 4.05Å; W496-I498 HydrophobicContact CB-CG2 4.26Å; W496-I498 HydrophobicContact CE3-CD1 4.06Å; W496-I498 PolarHBondContact O-N 3.32Å
499N98.7Very high97.7Very high3 Ų332.2 Ų32.22%0.01619%0.189CC..  trans-95.6108.4169.7-166.1-2.4000111.4N83 F84 T85 K353 F501 D502N83-N499 PolarHBondContact OD1-ND2 3.33Å; F84-N499 HydrophobicContact CD1-CB 4.28Å; F84-N499 HydrophobicContact CE1-CB 3.43Å; F84-N499 VanDerWaalsContact CE1-CB 3.43Å; F84-N499 HydrophobicContact CZ-CB 3.64Å; T85-N499 PolarHBondContact OG1-ND2 3.29Å; K353-N499 PolarHBondContact NZ-O 3.31Å; N499-F501 PolarHBondContact O-N 3.34Å; N499-F501 PolarHBondContact OD1-N 2.93Å; N499-D502 WeakPolarHBondContact CB-OD2 3.4Å; N499-D502 WeakPolarHBondContact ND2-CB 3.5Å; N499-D502 PolarHBondContact ND2-OD2 2.99Å
500S98.8Very high97.4Very high2 Ų238.5 Ų38.51%0.01422%0.216CC..SBendtrans-74.7-5.8175.8-59.20000114R264 S350 N351 G493R264-S500 PolarHBondContact NH2-O 3.38Å; S350-S500 VanDerWaalsContact CA-O 3.28Å; S350-S500 WeakPolarHBondContact CA-O 3.41Å; S350-S500 VanDerWaalsContact CB-O 3.23Å; S350-S500 WeakPolarHBondContact CB-O 3.34Å; S350-S500 WeakPolarHBondContact O-CA 3.37Å; S350-S500 PolarHBondContact OG-O 3.07Å; N351-S500 WeakPolarHBondContact OD1-CB 3.48Å; N351-S500 PolarHBondContact OD1-OG 2.82Å; G493-S500 WeakPolarHBondContact CA-OG 3.33Å
501F98.6Very high97.2Very high12 Ų1242.1 Ų42.15%0.05324%0.238CC..SBendtrans-119.4-6.7-162.8-56-65000115.3M76 I82 N83 V90 Y265 F490 N499M76-F501 HydrophobicContact SD-CZ 4.34Å; I82-F501 HydrophobicContact CD1-CD2 4.24Å; I82-F501 HydrophobicContact CD1-CE2 3.64Å; I82-F501 HydrophobicContact CD1-CZ 4.4Å; I82-F501 HydrophobicContact CG1-CD2 4.4Å; I82-F501 HydrophobicContact CG1-CE2 4.29Å; N83-F501 HydrophobicContact CB-CB 3.91Å; N83-F501 PolarHBondContact ND2-O 3.33Å; V90-F501 HydrophobicContact CB-CD1 4.46Å; V90-F501 HydrophobicContact CB-CD2 4.34Å; V90-F501 HydrophobicContact CB-CE2 4.44Å; V90-F501 HydrophobicContact CB-CG 4.32Å; V90-F501 HydrophobicContact CG1-CD1 3.47Å; V90-F501 VanDerWaalsContact CG1-CD1 3.47Å; V90-F501 HydrophobicContact CG1-CD2 4.06Å; V90-F501 HydrophobicContact CG1-CE1 3.42Å; V90-F501 VanDerWaalsContact CG1-CE1 3.42Å; V90-F501 HydrophobicContact CG1-CE2 3.99Å; V90-F501 HydrophobicContact CG1-CG 3.78Å; V90-F501 HydrophobicContact CG1-CZ 3.65Å; V90-F501 HydrophobicContact CG2-CB 3.83Å; V90-F501 HydrophobicContact CG2-CD1 4.17Å; V90-F501 HydrophobicContact CG2-CD2 3.65Å; V90-F501 HydrophobicContact CG2-CE2 4.21Å; V90-F501 HydrophobicContact CG2-CG 3.59Å; Y265-F501 HydrophobicContact CD2-CD1 4.45Å; Y265-F501 AromaticContact CE2-CD1 3.9Å; Y265-F501 HydrophobicContact CE2-CD1 3.9Å; Y265-F501 AromaticContact CE2-CE1 3.98Å; Y265-F501 HydrophobicContact CE2-CE1 3.98Å; F490-F501 AromaticContact CD2-CE2 3.93Å; F490-F501 HydrophobicContact CD2-CE2 3.93Å; F490-F501 AromaticContact CD2-CZ 3.7Å; F490-F501 HydrophobicContact CD2-CZ 3.7Å; F490-F501 HydrophobicContact CE2-CE2 4.33Å; F490-F501 HydrophobicContact CE2-CZ 4.44Å; N499-F501 PolarHBondContact O-N 3.34Å; N499-F501 PolarHBondContact OD1-N 2.93Å
502D97.9Very high97.1Very high9 Ų945.7 Ų45.75%0.04826%0.257CS..  trans-95.5178167.26721.7000112T85 E86 R264 K353 N499 W504T85-D502 WeakPolarHBondContact CB-OD2 3.28Å; T85-D502 VanDerWaalsContact CG2-OD2 3.31Å; T85-D502 WeakPolarHBondContact CG2-OD2 3.29Å; T85-D502 WeakPolarHBondContact OG1-CB 3.4Å; T85-D502 PolarHBondContact OG1-OD2 3.07Å; E86-D502 HydrophobicContact CG-CB 4.46Å; R264-D502 PolarHBondContact NH2-O 2.75Å; K353-D502 PolarHBondContact NZ-O 2.87Å; K353-D502 IonicContact NZ-OD1 3.67Å; K353-D502 PolarHBondContact NZ-OD1 3.24Å; N499-D502 WeakPolarHBondContact CB-OD2 3.4Å; N499-D502 WeakPolarHBondContact ND2-CB 3.5Å; N499-D502 PolarHBondContact ND2-OD2 2.99Å; D502-W504 PolarHBondContact OD2-NE1 3.12Å
503Q97.2Very high97Very high55 Ų5548.3 Ų48.326%0.25728%0.279SS..  trans-15544.717857.5-80.3-36.600113.2E349 G505 V506E349-Q503 HydrophobicContact CG-CB 4.04Å; Q503-G505 PolarHBondContact O-N 3.01Å; Q503-V506 HydrophobicContact CB-CG1 4.43Å; Q503-V506 HydrophobicContact CG-CG2 4.42Å; Q503-V506 WeakPolarHBondContact O-CG2 3.19Å; Q503-V506 PolarHBondContact O-N 2.87Å
504W97.6Very high96.8Very high120 Ų12056.1 Ų56.146%0.45531%0.313SS..G310 helixtrans-55.8-25.3-176.4-63.7110.2000114.8T85 E86 D502 V506 E507T85-W504 PolarHBondContact OG1-NE1 3.09Å; T85-W504 VanDerWaalsContact OG1-NE1 3.11Å; E86-W504 HydrophobicContact CG-CZ2 3.88Å; D502-W504 PolarHBondContact OD2-NE1 3.12Å; W504-V506 PolarHBondContact O-N 2.98Å; W504-E507 VanDerWaalsContact CE3-CD 3.48Å; W504-E507 HydrophobicContact CE3-CG 4.44Å; W504-E507 VanDerWaalsContact CE3-OE1 3.31Å; W504-E507 WeakPolarHBondContact CZ3-OE1 3.47Å; W504-E507 PolarHBondContact O-N 3.22Å
505G97.4Very high96.6Very high78 Ų7861.7 Ų61.780%0.80434%0.337SS*.G310 helixtrans-61.2-14.9178.900000115.5Q503Q503-G505 PolarHBondContact O-N 3.01Å
506V94.2Very high96.6Very high55 Ų5563.5 Ų63.533%0.33335%0.346SS..G310 helixtrans-85.1-10.3-179.9-50.60000113.8Q503 W504 K510Q503-V506 HydrophobicContact CB-CG1 4.43Å; Q503-V506 HydrophobicContact CG-CG2 4.42Å; Q503-V506 WeakPolarHBondContact O-CG2 3.19Å; Q503-V506 PolarHBondContact O-N 2.87Å; W504-V506 PolarHBondContact O-N 2.98Å; V506-K510 WeakPolarHBondContact O-CG 3.37Å
507E93.3Very high96.4Very high101 Ų10168.9 Ų68.947%0.47237%0.371SS..Hα-helixtrans-76.2-42.1-168.9-66.1-165.7151.900113.8W504 G509 K510 V511W504-E507 VanDerWaalsContact CE3-CD 3.48Å; W504-E507 HydrophobicContact CE3-CG 4.44Å; W504-E507 VanDerWaalsContact CE3-OE1 3.31Å; W504-E507 WeakPolarHBondContact CZ3-OE1 3.47Å; W504-E507 PolarHBondContact O-N 3.22Å; E507-G509 VanDerWaalsContact C-N 3.34Å; E507-G509 PolarHBondContact O-N 2.75Å; E507-K510 WeakPolarHBondContact O-CB 3.36Å; E507-K510 PolarHBondContact O-N 3.12Å; E507-K510 VanDerWaalsContact O-N 3.11Å; E507-V511 WeakPolarHBondContact O-CG2 3.14Å; E507-V511 PolarHBondContact O-N 2.93Å
508L95.7Very high96.3Very high123 Ų12369.8 Ų69.864%0.64438%0.38SS*.Hα-helixtrans-58.5-47.3-175.2178.860.4000111.5K510 V511 L512L508-K510 VanDerWaalsContact C-N 3.31Å; L508-K510 PolarHBondContact O-N 3.33Å; L508-V511 PolarHBondContact O-N 3.44Å; L508-L512 HydrophobicContact CD1-CD1 4.05Å; L508-L512 HydrophobicContact CD1-CG 4.12Å; L508-L512 HydrophobicContact CG-CD1 4.05Å; L508-L512 HydrophobicContact CG-CG 4.48Å; L508-L512 WeakPolarHBondContact O-CG 3.26Å; L508-L512 PolarHBondContact O-N 2.52Å
509G95.5Very high96.2Very high49 Ų4971.5 Ų71.551%0.50539%0.388SS..Hα-helixtrans-58.6-42.1177.100000112.5E507 L512 A513E507-G509 VanDerWaalsContact C-N 3.34Å; E507-G509 PolarHBondContact O-N 2.75Å; G509-L512 PolarHBondContact O-N 3.28Å; G509-A513 VanDerWaalsContact O-CB 3.31Å; G509-A513 WeakPolarHBondContact O-CB 3.18Å; G509-A513 PolarHBondContact O-N 2.89Å
510K92.6Very high96.1Very high133 Ų13374 Ų7458%0.57840%0.401SS*.Hα-helixtrans-63.7-43.2177.3-68.1174.5-177.4177.80112.1V506 E507 L508 K514V506-K510 WeakPolarHBondContact O-CG 3.37Å; E507-K510 WeakPolarHBondContact O-CB 3.36Å; E507-K510 PolarHBondContact O-N 3.12Å; E507-K510 VanDerWaalsContact O-N 3.11Å; L508-K510 VanDerWaalsContact C-N 3.31Å; L508-K510 PolarHBondContact O-N 3.33Å; K510-K514 WeakPolarHBondContact O-CB 3.38Å; K510-K514 PolarHBondContact O-N 3.36Å; K510-K514 VanDerWaalsContact O-N 3.1Å
511V94.6Very high95.7Very high78 Ų7879.1 Ų79.147%0.47343%0.432SS..Hα-helixtrans-63.7-45.9178.11720000111E507 L508 K514 K515E507-V511 WeakPolarHBondContact O-CG2 3.14Å; E507-V511 PolarHBondContact O-N 2.93Å; L508-V511 PolarHBondContact O-N 3.44Å; V511-K514 PolarHBondContact O-N 3.44Å; V511-K515 PolarHBondContact O-N 3.06Å
512L97.2Very high95.4Very high75 Ų7580.9 Ų80.939%0.39344%0.444SS..Hα-helixtrans-65.7-44.5179.6-66.1177.2000111.7L508 G509 K514 K515 I516L508-L512 HydrophobicContact CD1-CD1 4.05Å; L508-L512 HydrophobicContact CD1-CG 4.12Å; L508-L512 HydrophobicContact CG-CD1 4.05Å; L508-L512 HydrophobicContact CG-CG 4.48Å; L508-L512 WeakPolarHBondContact O-CG 3.26Å; L508-L512 PolarHBondContact O-N 2.52Å; G509-L512 PolarHBondContact O-N 3.28Å; L512-K514 VanDerWaalsContact C-N 3.31Å; L512-K514 PolarHBondContact O-N 2.96Å; L512-K515 WeakPolarHBondContact O-CB 3.3Å; L512-K515 PolarHBondContact O-N 2.64Å; L512-K515 VanDerWaalsContact O-N 3.07Å; L512-I516 WeakPolarHBondContact O-CG1 3.3Å; L512-I516 PolarHBondContact O-N 3.31Å
513A96.3Very high95Very high57 Ų5788 Ų8847%0.47148%0.482SS..Hα-helixtrans-58.9-41.7177.100000112.3G509 K515 I516 Q517G509-A513 VanDerWaalsContact O-CB 3.31Å; G509-A513 WeakPolarHBondContact O-CB 3.18Å; G509-A513 PolarHBondContact O-N 2.89Å; A513-K515 VanDerWaalsContact C-N 3.27Å; A513-K515 PolarHBondContact O-N 3.34Å; A513-I516 PolarHBondContact O-N 3.19Å; A513-Q517 WeakPolarHBondContact O-CB 3.42Å; A513-Q517 PolarHBondContact O-N 3.05Å
514K93.9Very high94.8Very high163 Ų16392 Ų9271%0.70950%0.501SS*.Hα-helixtrans-63.3-31.4176.8-171.3175.8-179.5-179.80112.8K510 V511 L512 P518K510-K514 WeakPolarHBondContact O-CB 3.38Å; K510-K514 PolarHBondContact O-N 3.36Å; K510-K514 VanDerWaalsContact O-N 3.1Å; V511-K514 PolarHBondContact O-N 3.44Å; L512-K514 VanDerWaalsContact C-N 3.31Å; L512-K514 PolarHBondContact O-N 2.96Å; K514-P518 VanDerWaalsContact O-CD 3.3Å; K514-P518 WeakPolarHBondContact O-CD 3.46Å
515K95.7Very high94.6Very high128 Ų12892.4 Ų92.456%0.55752%0.516SS*.Hα-helixtrans-74.3-42.4174.2-70.1-179.9178.3-1770112V511 L512 A513 P518V511-K515 PolarHBondContact O-N 3.06Å; L512-K515 WeakPolarHBondContact O-CB 3.3Å; L512-K515 PolarHBondContact O-N 2.64Å; L512-K515 VanDerWaalsContact O-N 3.07Å; A513-K515 VanDerWaalsContact C-N 3.27Å; A513-K515 PolarHBondContact O-N 3.34Å; K515-P518 WeakPolarHBondContact O-CD 3.47Å; K515-P518 WeakPolarHBondContact O-CG 3.15Å
516I97.3Very high94.7Very high43 Ų4389.7 Ų89.722%0.22148%0.483CS..Hα-helixtrans-72.9-37.2-176.5-68166.8000112.2L512 A513 E519 L520 T533 I537L512-I516 WeakPolarHBondContact O-CG1 3.3Å; L512-I516 PolarHBondContact O-N 3.31Å; A513-I516 PolarHBondContact O-N 3.19Å; I516-E519 WeakPolarHBondContact O-CB 3.31Å; I516-E519 PolarHBondContact O-N 3.33Å; I516-L520 HydrophobicContact CG2-CD1 4.33Å; I516-L520 HydrophobicContact CG2-CD2 4.47Å; I516-L520 HydrophobicContact CG2-CG 4.16Å; I516-L520 PolarHBondContact O-N 3.43Å; I516-T533 HydrophobicContact CD1-CG2 4.28Å; I516-I537 HydrophobicContact CG2-CD1 4.23Å
517Q96Very high94.8Very high112 Ų11292.5 Ų92.552%0.52350%0.501SS..Hα-helixtrans-49-52.6-175.7-176.3-176.324.400114.6A513 E519 L520A513-Q517 WeakPolarHBondContact O-CB 3.42Å; A513-Q517 PolarHBondContact O-N 3.05Å; Q517-E519 VanDerWaalsContact C-N 3.3Å; Q517-E519 PolarHBondContact O-N 3.41Å; Q517-L520 PolarHBondContact O-N 2.9Å
518P95.8Very high95Very high69 Ų6991.4 Ų91.445%0.44850%0.504SS..Hα-helixtrans-63.7-35.6178.824.5-34.7000112.5K514 K515 L520 T521K514-P518 VanDerWaalsContact O-CD 3.3Å; K514-P518 WeakPolarHBondContact O-CD 3.46Å; K515-P518 WeakPolarHBondContact O-CD 3.47Å; K515-P518 WeakPolarHBondContact O-CG 3.15Å; P518-L520 PolarHBondContact O-N 3.25Å; P518-T521 PolarHBondContact O-N 3.47Å; P518-T521 VanDerWaalsContact O-N 3.08Å; P518-T521 PolarHBondContact O-OG1 3.07Å
519E96.7Very high95.1Very high37 Ų3788 Ų8817%0.17348%0.484CS..Hα-helixtrans-63.9-26.7-178.7-62.6175.4153.800112.6I516 Q517 T521 T522 I526 S528 H529 K541I516-E519 WeakPolarHBondContact O-CB 3.31Å; I516-E519 PolarHBondContact O-N 3.33Å; Q517-E519 VanDerWaalsContact C-N 3.3Å; Q517-E519 PolarHBondContact O-N 3.41Å; E519-T521 PolarHBondContact O-N 3.12Å; E519-T522 PolarHBondContact O-OG1 3.25Å; E519-I526 HydrophobicContact CB-CD1 3.83Å; E519-I526 HydrophobicContact CB-CG1 4.06Å; E519-I526 HydrophobicContact CG-CD1 4.18Å; E519-S528 PolarHBondContact OE1-OG 2.72Å; E519-H529 IonicContact OE1-NE2 3.76Å; E519-H529 PolarHBondContact OE1-NE2 3.49Å; E519-H529 IonicContact OE2-CD2 3.14Å; E519-H529 IonicContact OE2-CE1 2.68Å; E519-H529 IonicContact OE2-NE2 3.57Å; E519-H529 PolarHBondContact OE2-NE2 2.75Å; E519-K541 WeakPolarHBondContact O-CE 3.39Å; E519-K541 PolarHBondContact O-NZ 3.45Å
520L96Very high95.2Very high55 Ų5589.8 Ų89.829%0.28848%0.483SS..THydrogen-bonded Turntrans-69.2-18.8176.3-66.1175.9000113.8I516 Q517 P518 I537I516-L520 HydrophobicContact CG2-CD1 4.33Å; I516-L520 HydrophobicContact CG2-CD2 4.47Å; I516-L520 HydrophobicContact CG2-CG 4.16Å; I516-L520 PolarHBondContact O-N 3.43Å; Q517-L520 PolarHBondContact O-N 2.9Å; P518-L520 PolarHBondContact O-N 3.25Å; L520-I537 HydrophobicContact CD2-CG1 4.12Å; L520-I537 HydrophobicContact CD2-CG2 4.23Å
521T91Very high95.5Very high110 Ų11088.8 Ų88.868%0.67549%0.493SS*.THydrogen-bonded Turntrans-100-14.7-175.862.80000113.7P518 E519P518-T521 PolarHBondContact O-N 3.47Å; P518-T521 VanDerWaalsContact O-N 3.08Å; P518-T521 PolarHBondContact O-OG1 3.07Å; E519-T521 PolarHBondContact O-N 3.12Å
522T91.8Very high95.7Very high49 Ų4988.5 Ų88.530%0.30149%0.494SS..SBendtrans-80.7154.817873.30000111E519 E524 K541E519-T522 PolarHBondContact O-OG1 3.25Å; T522-E524 PolarHBondContact O-N 3.26Å; T522-K541 WeakPolarHBondContact O-CE 3.34Å; T522-K541 PolarHBondContact O-NZ 2.81Å; T522-K541 PolarHBondContact OG1-NZ 3.46Å
523N88.9Confident95.7Very high157 Ų15786.7 Ų86.784%0.8449%0.486SS*.SBendtrans-81.8-2.1171.4-72.2-36.9000113.2
524E93Very high95.8Very high140 Ų14085.2 Ų85.265%0.65447%0.47SS*.SBendtrans-73.6147.2-176.1-63.1179172.200111.9T522 I526 K541T522-E524 PolarHBondContact O-N 3.26Å; E524-I526 PolarHBondContact O-N 2.79Å; E524-K541 PolarHBondContact O-NZ 2.85Å
525V94.9Very high96Very high129 Ų12979.4 Ų79.478%0.78246%0.457SS*.PPolyproline II helixtrans-71.5123.1167.8-179.70000107.8T527V525-T527 HydrophobicContact CG1-CG2 4.23Å
526I97.5Very high96.2Very high20 Ų2078.2 Ų78.210%0.10346%0.456CS..PPolyproline II helixtrans-90.4124.9-178-53.8-55.7000109.2E519 E524 S528 N534 I537E519-I526 HydrophobicContact CB-CD1 3.83Å; E519-I526 HydrophobicContact CB-CG1 4.06Å; E519-I526 HydrophobicContact CG-CD1 4.18Å; E524-I526 PolarHBondContact O-N 2.79Å; I526-S528 VanDerWaalsContact CG2-OG 3.27Å; I526-S528 WeakPolarHBondContact CG2-OG 3.47Å; I526-N534 PolarHBondContact O-OD1 2.77Å; I526-I537 HydrophobicContact CB-CG2 4.11Å; I526-I537 HydrophobicContact CG1-CG2 3.82Å; I526-I537 HydrophobicContact CG2-CD1 4.15Å
527T97.1Very high96.2Very high115 Ų11576.5 Ų76.571%0.70645%0.447SS*.  trans-130.115.5177.963.70000112.5V525 N534V525-T527 HydrophobicContact CG1-CG2 4.23Å; T527-N534 WeakPolarHBondContact CA-ND2 3.31Å
528S97Very high96.2Very high78 Ų7873.2 Ų73.255%0.54544%0.439SS..SBendtrans-81.4-10.9-17444.60000114.1E519 I526E519-S528 PolarHBondContact OE1-OG 2.72Å; I526-S528 VanDerWaalsContact CG2-OG 3.27Å; I526-S528 WeakPolarHBondContact CG2-OG 3.47Å
529H97.8Very high96.3Very high50 Ų5075.9 Ų75.923%0.23144%0.444CS..SBendtrans-116.9-174.2-177.1-52-81.9000112.5E519 T533 N534E519-H529 IonicContact OE1-NE2 3.76Å; E519-H529 PolarHBondContact OE1-NE2 3.49Å; E519-H529 IonicContact OE2-CD2 3.14Å; E519-H529 IonicContact OE2-CE1 2.68Å; E519-H529 IonicContact OE2-NE2 3.57Å; E519-H529 PolarHBondContact OE2-NE2 2.75Å; H529-T533 HydrophobicContact CB-CG2 3.69Å; H529-N534 WeakPolarHBondContact CB-OD1 3.34Å; H529-N534 PolarHBondContact N-OD1 3.27Å; H529-N534 VanDerWaalsContact N-OD1 3.09Å; H529-N534 PolarHBondContact O-ND2 2.89Å
530D98.4Very high96.3Very high88 Ų8878 Ų7847%0.47146%0.456SS..  trans-62.1162.4168.471.690.3000111.7S532 T533 N534D530-S532 PolarHBondContact O-N 3.36Å; D530-S532 WeakPolarHBondContact OD1-CA 3.42Å; D530-S532 WeakPolarHBondContact OD1-CB 3.21Å; D530-S532 PolarHBondContact OD1-N 3.11Å; D530-T533 PolarHBondContact O-N 3.22Å; D530-T533 PolarHBondContact OD1-N 3.29Å; D530-T533 VanDerWaalsContact OD2-CB 3.3Å; D530-T533 WeakPolarHBondContact OD2-CB 3.31Å; D530-T533 PolarHBondContact OD2-OG1 3.5Å; D530-N534 VanDerWaalsContact O-CG 3.32Å; D530-N534 PolarHBondContact O-N 3.43Å; D530-N534 PolarHBondContact O-ND2 2.92Å
531S98.4Very high96.3Very high112 Ų11277.3 Ų77.378%0.78345%0.45SS*.Hα-helixtrans-61.7-29-175.156.60000113.8G535S531-G535 PolarHBondContact O-N 2.71Å
532S98.7Very high96.5Very high71 Ų7178 Ų7850%0.49745%0.45SS..Hα-helixtrans-70.7-53.4177.1-172.40000110.2D530 N534 G535 L536D530-S532 PolarHBondContact O-N 3.36Å; D530-S532 WeakPolarHBondContact OD1-CA 3.42Å; D530-S532 WeakPolarHBondContact OD1-CB 3.21Å; D530-S532 PolarHBondContact OD1-N 3.11Å; S532-N534 VanDerWaalsContact C-N 3.34Å; S532-N534 PolarHBondContact O-N 2.94Å; S532-G535 PolarHBondContact O-N 3.16Å; S532-G535 VanDerWaalsContact O-N 3.15Å; S532-L536 WeakPolarHBondContact O-CG 3.49Å; S532-L536 PolarHBondContact O-N 3.11Å
533T98.6Very high96.7Very high37 Ų3781.6 Ų81.623%0.22746%0.463CS..Hα-helixtrans-58.9-44.9179.6-58.40000111.6I516 H529 D530 G535 L536 I537I516-T533 HydrophobicContact CD1-CG2 4.28Å; H529-T533 HydrophobicContact CB-CG2 3.69Å; D530-T533 PolarHBondContact O-N 3.22Å; D530-T533 PolarHBondContact OD1-N 3.29Å; D530-T533 VanDerWaalsContact OD2-CB 3.3Å; D530-T533 WeakPolarHBondContact OD2-CB 3.31Å; D530-T533 PolarHBondContact OD2-OG1 3.5Å; T533-G535 PolarHBondContact O-N 3.04Å; T533-L536 PolarHBondContact O-N 2.73Å; T533-I537 HydrophobicContact CG2-CD1 4.04Å; T533-I537 WeakPolarHBondContact O-CG1 3.38Å; T533-I537 PolarHBondContact O-N 2.97Å
534N98.3Very high96.7Very high26 Ų2682.6 Ų82.614%0.13946%0.455CS..Hα-helixtrans-61.9-45.3176-66.8-24.6000111.9I526 T527 H529 D530 S532 L536 I537 A538I526-N534 PolarHBondContact O-OD1 2.77Å; T527-N534 WeakPolarHBondContact CA-ND2 3.31Å; H529-N534 WeakPolarHBondContact CB-OD1 3.34Å; H529-N534 PolarHBondContact N-OD1 3.27Å; H529-N534 VanDerWaalsContact N-OD1 3.09Å; H529-N534 PolarHBondContact O-ND2 2.89Å; D530-N534 VanDerWaalsContact O-CG 3.32Å; D530-N534 PolarHBondContact O-N 3.43Å; D530-N534 PolarHBondContact O-ND2 2.92Å; S532-N534 VanDerWaalsContact C-N 3.34Å; S532-N534 PolarHBondContact O-N 2.94Å; N534-L536 VanDerWaalsContact C-N 3.34Å; N534-L536 PolarHBondContact O-N 3.46Å; N534-I537 PolarHBondContact O-N 3.15Å; N534-A538 WeakPolarHBondContact O-CB 3.46Å; N534-A538 PolarHBondContact O-N 2.96Å
535G98.1Very high95.7Very high42 Ų4287.7 Ų87.743%0.43348%0.475SS..Hα-helixtrans-61.3-40.5178.400000112.7S531 S532 T533 A538 F539S531-G535 PolarHBondContact O-N 2.71Å; S532-G535 PolarHBondContact O-N 3.16Å; S532-G535 VanDerWaalsContact O-N 3.15Å; T533-G535 PolarHBondContact O-N 3.04Å; G535-A538 PolarHBondContact O-N 3.48Å; G535-F539 WeakPolarHBondContact O-CB 3.21Å; G535-F539 PolarHBondContact O-N 3.04Å
536L98.3Very high95.7Very high103 Ų10385.6 Ų85.654%0.53946%0.459SS..Hα-helixtrans-65.7-46.2175.4-70.9169.8000111.9S532 T533 N534 A538 F539 I540S532-L536 WeakPolarHBondContact O-CG 3.49Å; S532-L536 PolarHBondContact O-N 3.11Å; T533-L536 PolarHBondContact O-N 2.73Å; N534-L536 VanDerWaalsContact C-N 3.34Å; N534-L536 PolarHBondContact O-N 3.46Å; L536-A538 VanDerWaalsContact C-N 3.31Å; L536-A538 PolarHBondContact O-N 2.92Å; L536-F539 PolarHBondContact O-N 3.27Å; L536-I540 VanDerWaalsContact O-CG1 3.28Å; L536-I540 WeakPolarHBondContact O-CG1 3.46Å; L536-I540 PolarHBondContact O-N 2.97Å
537I97.9Very high95.6Very high7 Ų789.1 Ų89.14%0.03648%0.478CS..Hα-helixtrans-58.8-45.4175.5-70.1169.1000110.2I516 L520 I526 T533 N534 I540 K541I516-I537 HydrophobicContact CG2-CD1 4.23Å; L520-I537 HydrophobicContact CD2-CG1 4.12Å; L520-I537 HydrophobicContact CD2-CG2 4.23Å; I526-I537 HydrophobicContact CB-CG2 4.11Å; I526-I537 HydrophobicContact CG1-CG2 3.82Å; I526-I537 HydrophobicContact CG2-CD1 4.15Å; T533-I537 HydrophobicContact CG2-CD1 4.04Å; T533-I537 WeakPolarHBondContact O-CG1 3.38Å; T533-I537 PolarHBondContact O-N 2.97Å; N534-I537 PolarHBondContact O-N 3.15Å; I537-I540 PolarHBondContact O-N 3.1Å; I537-K541 HydrophobicContact CG2-CD 4.21Å; I537-K541 HydrophobicContact CG2-CG 4.37Å; I537-K541 WeakPolarHBondContact O-CG 3.37Å; I537-K541 PolarHBondContact O-N 3.46Å
538A96.9Very high95.6Very high42 Ų4287.6 Ų87.635%0.34747%0.466SS..Hα-helixtrans-61.2-45.1177.600000111.8N534 G535 L536 I540 K541 N542N534-A538 WeakPolarHBondContact O-CB 3.46Å; N534-A538 PolarHBondContact O-N 2.96Å; G535-A538 PolarHBondContact O-N 3.48Å; L536-A538 VanDerWaalsContact C-N 3.31Å; L536-A538 PolarHBondContact O-N 2.92Å; A538-I540 PolarHBondContact O-N 3.31Å; A538-K541 PolarHBondContact O-N 3.2Å; A538-N542 WeakPolarHBondContact O-CB 3.47Å; A538-N542 VanDerWaalsContact O-CG 3.23Å; A538-N542 PolarHBondContact O-N 3.39Å; A538-N542 PolarHBondContact O-ND2 3.21Å
539F97.4Very high95.5Very high125 Ų12588.2 Ų88.255%0.54846%0.461SS..Hα-helixtrans-58.3-48.2175.3-176.8-87.9000111.4G535 L536 K541 N542 H543G535-F539 WeakPolarHBondContact O-CB 3.21Å; G535-F539 PolarHBondContact O-N 3.04Å; L536-F539 PolarHBondContact O-N 3.27Å; F539-K541 PolarHBondContact O-N 3.44Å; F539-N542 PolarHBondContact O-N 3.29Å; F539-H543 AromaticContact CD1-ND1 3.89Å; F539-H543 AromaticContact CD2-CE1 3.51Å; F539-H543 AromaticContact CD2-ND1 3.76Å; F539-H543 AromaticContact CE1-ND1 3.78Å; F539-H543 AromaticContact CE2-CE1 3.19Å; F539-H543 WeakPolarHBondContact CE2-CE1 3.29Å; F539-H543 AromaticContact CE2-ND1 3.66Å; F539-H543 AromaticContact CE2-NE2 3.83Å; F539-H543 AromaticContact CG-ND1 3.87Å; F539-H543 AromaticContact CZ-CE1 3.53Å; F539-H543 AromaticContact CZ-ND1 3.66Å; F539-H543 AromaticContact CZ-NE2 3.91Å; F539-H543 PolarHBondContact O-N 3Å; F539-H543 PolarHBondContact O-ND1 2.99Å
540I97.3Very high95.3Very high83 Ų8390.6 Ų90.643%0.42648%0.475SS..Hα-helixtrans-59.7-48.8178.5-69.5163.1000110.8L536 I537 A538 N542 H543 R544L536-I540 VanDerWaalsContact O-CG1 3.28Å; L536-I540 WeakPolarHBondContact O-CG1 3.46Å; L536-I540 PolarHBondContact O-N 2.97Å; I537-I540 PolarHBondContact O-N 3.1Å; A538-I540 PolarHBondContact O-N 3.31Å; I540-N542 VanDerWaalsContact C-N 3.28Å; I540-N542 PolarHBondContact O-N 3.03Å; I540-H543 PolarHBondContact O-N 3.39Å; I540-R544 WeakPolarHBondContact O-CB 3.41Å; I540-R544 PolarHBondContact O-N 3.03Å; I540-R544 VanDerWaalsContact O-N 3.13Å
541K95.2Very high95.1Very high39 Ų3990.7 Ų90.717%0.1748%0.476CS..Hα-helixtrans-59.6-39.4179.2-73.3-172.4-177.5-163.80112.2E519 T522 E524 I537 A538 F539 H543E519-K541 WeakPolarHBondContact O-CE 3.39Å; E519-K541 PolarHBondContact O-NZ 3.45Å; T522-K541 WeakPolarHBondContact O-CE 3.34Å; T522-K541 PolarHBondContact O-NZ 2.81Å; T522-K541 PolarHBondContact OG1-NZ 3.46Å; E524-K541 PolarHBondContact O-NZ 2.85Å; I537-K541 HydrophobicContact CG2-CD 4.21Å; I537-K541 HydrophobicContact CG2-CG 4.37Å; I537-K541 WeakPolarHBondContact O-CG 3.37Å; I537-K541 PolarHBondContact O-N 3.46Å; A538-K541 PolarHBondContact O-N 3.2Å; F539-K541 PolarHBondContact O-N 3.44Å; K541-H543 VanDerWaalsContact C-N 3.33Å; K541-H543 PolarHBondContact O-N 3.35Å
542N94.5Very high94.9Very high125 Ų12589.2 Ų89.267%0.66845%0.454SS*.Hα-helixtrans-69.2-27.8179.8-72.7-16.4000113.5A538 F539 I540A538-N542 WeakPolarHBondContact O-CB 3.47Å; A538-N542 VanDerWaalsContact O-CG 3.23Å; A538-N542 PolarHBondContact O-N 3.39Å; A538-N542 PolarHBondContact O-ND2 3.21Å; F539-N542 PolarHBondContact O-N 3.29Å; I540-N542 VanDerWaalsContact C-N 3.28Å; I540-N542 PolarHBondContact O-N 3.03Å
543H96Very high94.6Very high125 Ų12590.6 Ų90.658%0.57945%0.45SS*.Hα-helixtrans-107.25.7-175-63.985.2000114.4F539 I540 K541F539-H543 AromaticContact CD1-ND1 3.89Å; F539-H543 AromaticContact CD2-CE1 3.51Å; F539-H543 AromaticContact CD2-ND1 3.76Å; F539-H543 AromaticContact CE1-ND1 3.78Å; F539-H543 AromaticContact CE2-CE1 3.19Å; F539-H543 WeakPolarHBondContact CE2-CE1 3.29Å; F539-H543 AromaticContact CE2-ND1 3.66Å; F539-H543 AromaticContact CE2-NE2 3.83Å; F539-H543 AromaticContact CG-ND1 3.87Å; F539-H543 AromaticContact CZ-CE1 3.53Å; F539-H543 AromaticContact CZ-ND1 3.66Å; F539-H543 AromaticContact CZ-NE2 3.91Å; F539-H543 PolarHBondContact O-N 3Å; F539-H543 PolarHBondContact O-ND1 2.99Å; I540-H543 PolarHBondContact O-N 3.39Å; K541-H543 VanDerWaalsContact C-N 3.33Å; K541-H543 PolarHBondContact O-N 3.35Å
544R89.5Confident94.3Very high178 Ų17895.1 Ų95.167%0.67247%0.469SS*.  trans-88.8-9.2179.6-165.9173.5-178.9-176.52.6113.9I540I540-R544 WeakPolarHBondContact O-CB 3.41Å; I540-R544 PolarHBondContact O-N 3.03Å; I540-R544 VanDerWaalsContact O-N 3.13Å
545K71.8Confident93.9Very high246 Ų246101.4 Ų101.4100%1.0750%0.499SS*.  trans-83.80-177.4-72.3-171.8179.4179.20112.9

Retrieved 545 of 545 residues in 149.8 ms (Link to these results)

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