Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRYRIHYIDVQNALQNYIWILEDTETHEAVAVDPT-------------EAELVTHFCQEHQLTLKQIWLTHWHKDHIGGVADLTANTP--MAVYGPRDELSKI--------PGITHP-------LQHDDHLKFNDLKVEIIATPGHTLGHIVYFIEELN--ALFCGDTLFA--MGCGRL-FEGT-AEQMYHSLNRLAALPTATKVYCTHEYTLSNAEFALSVEPENHALQERAEQVRMLRQEGKITLPSSIELELATNPFLRAESVDEFAHLRSLKDNF 4YSK Chain:A ((22-214)) ------------------YLVMDRETRQCALIDSVLDYDPKSGRTCSASADRLVERVNELNASVRWVLETHVHADHLSAAAYLKEKLGGHTAIGAHITQVQKVFGALFNAEPGFARDGSQFDVLLEDEEGFRIGNLQARALHTPGHTPACMSFMIEDAGEIAVFVGDTLFMPDYGTARCDFPGADARTLYRSIRRLLAFPDQTRLFMCHDY--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YSK.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 : 717 -19985 -27.87 -127.29 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -27.87 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_4YSK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YSK-query.scw PDB file : Tito_Scwrl_4YSK.pdb: