|
| Peptide | Global energy (kcal/Mol) | Attractive VdW energy (kcal/Mol) | H-Bond energy (kcal/Mol) | Peptidase-MHC pair | Bond distance (Å) | Conserved residues |
|
| 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 |
|
