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Peptide | Global energy (kcal/Mol) | Attractive VdW energy (kcal/Mol) | H-Bond energy (kcal/Mol) | Peptidase-MHC pair | Bond distance (Å) | Conserved residues |
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GTDLEGNFY | -43.24 | -28.87 | 0.22 | PHE8 O-ARG156 A THR2 O-ILE66 CD1 THR2 N-ARG62 NH2 ASN7 OD1-TYR99 OH TYR9 CZ-TRP147 CE2 SER4 CB-ILE66 CD1 | 2.020 2.474 2.575 1.319 2.194 2.315 | TYR9 ARG62 ILE66 THR73 TYR99 GLU152 |
TVNVLAWLY | -50.38 | -32.3 | -3.03 | LEU8 C-TYR99 OH LEU8 O-TYR99 OH ALA6 O-ILE66 HG22 TRP7 CG-GLN70 CD TYR9 O1-IL66 CG2 SER4 CB-ILE66 CD1 | 2.573 1.960 1.768 2.688 2.497 1.596 | TYR9 ARG62 ILE66 THR73 TYR99 GLU152 |
GSVGFNIDY | -42.49 | -27.33 | -1.15 | PHE5 O-THR73 OG1 PHE5 O-THR73 CB SER2 O-ILE66 CG2 ASP8 OD2-TYR99 CD1 ASN6 N-THR73 CG2 GLY4 CA-GLN70 OE1 | 0.425 1.321 2.103 2.144 2.559 2.698 | TYR9 ARG62 ILE66 THR73 TYR99 GLU152 |
QTFSVLACY | -40.01 | -23.86 | -1.887 | TYR9 C-TYR116 OH LEU6 O-ARG156 HD3 SER4 CB-ILE66 CD1 CYS8 CB-TYR99 OH GLN1 OE1-ILE66 N CYS8 O-TYR99 CD1 | 1.475 1.634 2.744 2.682 2.011 2.493 | TYR9 ARG62 ILE66 THR73 TYR99 GLU152 |
DYDCVSFCY | -40.48 | -26.48 | -1.2 | CYS8 CB-GLN70 OE1 PHE7 CZ-ARG62 NH1 CYS8 SG-GLN70 OE1 ASP1 CG-GLU154 O GLN1 OE1-ILE66 N CYS8 O-TYR99 CD1 | 0.952 1.159 1.542 2.571 2.253 1.693 | TYR9 ARG62 ILE66 THR73 TYR99 GLU152 |
TANPKTPKY | -32.96 | -23.45 | -1.65 | TYR9 C-THR73 OG1 LYS8 O-THR73 HG21 PRO7 CD-TRP147 CZ2 LYS5 CE-TYR99 OH THR6 CA-TYR116 HH | 1.336 0.712 2.509 2.317 2.027 2.693 | TYR9 ARG62 ILE66 THR73 TYR99 GLU152 |
SEDMLNPNY | -29.63 | -26.6 | -0.72 | SER1 CB-THR73 OG1 LEU5 CD2-GLN70 OE1 MET4 CE-ILE66 CA TYR9 O1-TYR159 HB2 | 0.732 1.252 2.377 1.283 1.986 2.563 | TYR9 ARG62 ILE66 THR73 TYR99 GLU152 |
LLEDEFTPF | -35.13 | -32.62 | -3.99 | PRO8 CB-THR73 OG1 LEU1 N-ARG156 CD GLU5 O-ILE66 HG22 SER1 CB-THR73 OG1 LEU5 CD2-GLN70 OE1 MET4 CE-ILE66 CA | 1.679 1.813 1.750 1.569 2.576 2.201 | TYR9 ARG62 ILE66 THR73 TYR99 GLU152 |
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