Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKTLTEKLNAIKATGKGIFVPYIMAGDHEKGLDGLGETIHFLEDLGVSAIEVGIPFSDPVADGPVIEEAGLRSLAHGTSTQALVETLKTI--ETEIPLVIMTYFNPLFQYGVENFVKDLADTAVKGLIIPDLPHEHANFVEPFLADTDIALIPLVSLTTGIERQKELIEGAEGFVYAVAINGVTGKS-GNYRADLDKHLAQLHQVADIPVLTGFGVSSQADLERFN-AVSDGVIVGSKIVKALHQGEPIQDFIRQAVAYQK 1GEQ Chain:A ((3-242)) ---------------KDGSLIPYLTAGDPD--KQSTLNFLLALDE-YAGAIELGIPFSDPIADGKTIQESHYRALKNGFKLREAFWIVKEFRRHSSTPIVLMTYYNPIYRAGVRNFLAEAKASGVDGILVVDLPVFHAKEFTEIAREEGIKTVFLAAPNTPDERLKVIDDMTTGFVYLVSLY------EIPK--TAYDLLRRAKRICRNKVAVGFGVSKREHVVSLLKEGANGVVVGSALVKIIGEK--GREATEFLKKKV-

General information: TITO was launched using: RESULT: Template: 1GEQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1219 -97817 -80.24 -427.15 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -80.24 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.689

(partial model without unconserved sides chains): PDB file : Tito_1GEQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GEQ-query.scw PDB file : Tito_Scwrl_1GEQ.pdb: