Table 2.
List of High-Occupancy Contacts and Side-Chain Entropy Changes
| H-Bond |
Nonpolar Contact |
|||||
|---|---|---|---|---|---|---|
| nSH3 | PRM | Occupancy | nSH3 | PRM | Occupancy | |
| nSH3:PRMcAbl | E166n (−1.35) | R767 (−3.48) | 0.987 | F141R (−2.82) | K760 (−0.45) | 0.930 |
| Y1863 (−0.59) | P761 (+0.02) | 0.939 | F141R (−2.82) | P761 (+0.02) | 0.769 | |
| – | – | – | F143R (+0.00) | L763 (−0.63) | 0.928 | |
| – | – | – | Q168n (−0.58) | P764 (+0.24) | 0.949 | |
| – | – | – | W169n (−2.97) | L763 (−0.63) | 0.840 | |
| – | – | – | P1833 (−0.66) | L763 (−0.63) | 0.876 | |
| – | – | – | P1853 (+0.05) | P764 (+0.24) | 0.772 | |
| – | – | – | Y1863 (−0.59) | P761 (+0.02) | 0.876 | |
| nSH3:PRMNS1A | D142R (+0.78) | R211 (−1.26) | 0.839 | F141R (−2.92) | R211 (−1.26) | 0.900 |
| D147R (−0.91) | K217 (−1.41) | 0.839 | F141R (−2.92) | P212 (−0.03) | 0.785 | |
| D150R (−0.12) | K217 (−1.41) | 0.943 | F143R (+0.06) | L214 (−0.84) | 0.955 | |
| E166n (−0.89) | R220 (−4.50) | 0.968 | Q168n (−0.56) | P215 (+0.93) | 0.970 | |
| Y1863 (−0.94) | P212 (−0.03) | 0.978 | W169n (−3.15) | L214 (−0.84) | 0.897 | |
| – | – | – | W169n (−3.15) | K217 (−1.41) | 0.951 | |
| – | – | – | P1833 (−0.75) | L214 (−0.84) | 0.886 | |
| – | – | – | P1853 (+0.04) | P215 (+0.93) | 0.870 | |
| – | – | – | Y1863 (−0.94) | R211 (−1.26) | 0.831 | |
| – | – | – | Y1863 (−0.94) | P212 (−0.03) | 0.926 | |
| – | – | – | Y1863 (−0.94) | L214 (−0.84) | 0.754 | |
| nSH3:PRMNS1B | D142R (+0.23) | R211 (−2.11) | 0.721 | F141R (−3.00) | R211 (−2.11) | 0.928 |
| D147R (−1.57) | K217 (−4.47) | 0.933 | F141R (−3.00) | P212 (+0.08) | 0.746 | |
| E149R (−0.37) | K217 (−4.47) | 0.825 | F143R (−0.14) | L214 (−1.00) | 0.949 | |
| E149R (−0.37) | R220 (−1.71) | 0.799 | Q168n (−0.65) | P215 (+0.94) | 0.939 | |
| D150R (−0.18) | K217 (−4.47) | 0.985 | W169n (−2.83) | L214 (−1.00) | 0.872 | |
| E166n (−1.10) | R220 (−1.71) | 0.783 | W169n (−2.83) | K217 (−4.47) | 0.920 | |
| Y1863 (−1.29) | P212 (+0.08) | 0.979 | P1833 (−0.71) | L214 (−1.00) | 0.914 | |
| – | – | – | P1853 (+0.06) | P215 (+0.94) | 0.826 | |
| – | – | – | Y1863 (−1.29) | R211 (−2.11) | 0.858 | |
| – | – | – | Y1863 (−1.29) | P212 (+0.08) | 0.926 | |
| – | – | – | Y1863 (−1.29) | L214 (−1.00) | 0.741 | |
Hydrogen bond (H-Bond) includes salt bridges. Residues of nSH3 are marked with superscripts with the corresponding subdomains (3: 310 helix; R: RT loop; and n: n-Src loop). Side-chain entropy change of each residue upon complex formation (in cal/(molK)) is in parentheses.