Table 2.

Decomposed binding free energy on a per-residue basis of the non-common amino acid residues largely contributing to the DNA binding, $\mathrm{\Delta }{G}_{\text{bind}}^{\text{amino}}\le -1.0\hspace{0.17em}\text{kcal\hspace{0.17em}}{\text{mol}}^{-1}$

CPD-PHR				CRY-DASH
Arg10	−1.2±0.2	Arg367	−1.1±0.2	Thr196	−3.4±0.8	Lys453	−7.2±2.8
Arg106	−1.0±0.2	Trp391	−2.0±0.7	Gln197	−1.8±1.0	Asn457	−2.2±1.2
Ser139	−1.1±1.2	Pro399	−2.9±0.5	Arg199	−3.4±0.4	Lys496	−1.5±0.2
Gly140	−1.6±0.8	Pro401	−4.2±0.8	Lys200	−1.7±1.8
Tyr145	−1.7±0.9	Asn406	−2.0±1.3	Arg259	−1.2±0.3
Gly149	−2.1±0.5	Ser409	−2.9±2.1	Lys274	−2.4±0.2
Pro150	−2.5±0.6	Gln410	−4.8±2.7	Lys288	−1.8±0.4
Asn154	−1.3±0.5	Lys412	−1.8±0.4	Arg334	−1.8±0.4
Lys247	−1.2±0.2	Lys413	−6.2±2.2	Lys339	−2.6±0.5
Arg273	−1.2±0.2	Lys434	−1.0±0.1	Arg351	−3.6±0.4
Arg277	−2.0±0.3	Arg459	−1.2±0.2	Arg404	−4.0±0.4
Arg305	−2.6±0.4	Lys461	−1.6±0.3	Asn441	−1.2±0.3
Met352	−1.9±0.5	Lys464	−2.3±1.2	Pro443	−3.1±0.6
Lys360	−2.1±0.7	Lys471	−4.8±2.2	Arg444	−10.3±1.2

Amino acid residues/Per-residue free energy decomposition [kcal/mol]