Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKTLTEKLNAIKATGKGIFVPYIMAGDHEKGLDGLGETIHFLEDLGVSAIEVGIPFSDPVADGPVIEEAGLRSLAHGTSTQALVETLKTIETEIPLVIMTYFNPLFQYGVENFVKDLADTAVKGLIIPDLPHEHANFVEPFLADTDIALIPLVSLTTGIERQKELIEGAEGFVYAVAINGVTGKSGNYRADLDKHLAQLHQVADIPVLTGFGVSSQADLERFNAVSDGVIVGSKIVKALHQGEPIQDFIRQAVAYQK 5KIN Chain:C ((1-258)) MPKTLTEKLNAIKAAGKGIFVPYIMAGDHEKGLDGLAETIHFLEDLGVSAIEVGIPFSDPVADGPVIEEAGLRSLAHGTSTQALVETLKTIETEIPLVIMTYFNPLFQYGVENFVKDLADTAVKGLIIPDLPHEHANFVEPFLANTDIALIPLVSLTTGIERQKELIEGAEGFIYAVAIN------GNYRADLDKHLAQLHQVADIPVLTGFGVSSQADLERFNAVSDGVIVGSKIVKALHQGEPIQDFIRQAVAYQK

General information: TITO was launched using: RESULT: Template: 5KIN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1343 -234551 -174.65 -930.76 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain C : 0.99 3D Compatibility (PKB) : -174.65 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.99 QMean score : 0.732

(partial model without unconserved sides chains): PDB file : Tito_5KIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KIN-query.scw PDB file : Tito_Scwrl_5KIN.pdb: