Table 2.
Hydrogen bonds between the HLA-DRB1*04:01 molecule and the peptides CII259-273, L-ASNase67-81, and Gal264-CII259-273.
| HLA-DRB1*04:01 | CII259-273 | L-ASNase67-81 | Gal264-CII259-273 |
|---|---|---|---|
| α chain | |||
| Glu(E)11 | Lys(K)264—3.18 Å | — | Lys(K)264—3.56 Å |
| Phe(F)22 | Lys(K)264—5.27 Å | Val(V)71—3.99 Å | Lys(K)264—5.27 Å |
| Ile(I)31 | Ile(I)260—4.45 Å | Ala(A)69—4.25 Å | Ile(I)260—4.45 Å |
| Phe(F)32 | — | Ala(A)69—4.12 Å | — |
| Phe(F)48 | Ile(I)260—4.58 Å | Ala(A)69—4.53 Å | Ile(I)260—4.58 Å |
| Ala(A)54 | — | Ile(I)68—4.87 Å | — |
| Ala(A)59 | — | Val(V)71—5.04 Å | — |
| Asn(N)62 | Lys(K)264—2.68 Å | — | Lys(K)264—2.68 Å |
| Val(V)65 | — | — | Lys(K)270—5.04 Å |
| Asp(D)66 | Lys(K)270—5.10 Å | — | — |
| Ile(I)72 | Pro(P)273—5.04 Å | — | Pro(P)273—5.04 Å |
| β chain | |||
| His(H)13 | Lys(K)264—4.37 Å | Val(V)76—5.33 Å | — |
| Leu(L)27 | — | — | Gal-Hyl264—2.90 Å |
| Tyr(Y)30 | Lys(K)270—3.26 Å | — | Lys(K)270—5.12 Å |
| Tyr(Y)47 | — | — | Pro(P)269—4.99 Å |
| Asp(D)57 | — | Asn(N)78—3.00 Å | — |
| Trp(W)61 | Gly(G)268—2.92 Å | Val(V)76—5.48 Å | Gly(G)268—2.92 Å |
| Tyr(Y)78 | — | Glu(E)74—4.33 Å | — |
| Asn(N)82 | Gly(G)262—3.18 Å | Ala(A)69—3.40 Å | Gly(G)262—3.18 Å |
| Val(V)85 | Ala(A)261—4.82 Å | — | — |