Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQSVCILGVTGSIGQSTLKILGQHPDKYSVFAVSAHSRISELVEICKQFRPKVVVVPE-QKIAELKTLFAQQNISAIDVLAGQEGLVDIASHTDVDIVMAAIVGAAGLLPTLAAVKAGKRVLLANKEALVMSGEIMMQAARDHQALLLPVDSEHNAIFQSLPHNYLQA--DRTGQPQLG-VSKILLTASGGPFLNHSLEQLVHVTPQKACKHPNWSMGQKISVDSATLMNKGLELIEACHLFSISEHFVTVVVHPQSIIHSMVQYVDGSTLAQMGNPDMCTPIAHALAWPERLQTNVPALDLFEYSQLNFQAPDTQKFPALNLARQAMRAGGLAPTILNAANEIAVEAFLMERIGFTSIPQVVEHTLEKLENTAAESIECILDKDKVARSVAQQYIKYWRLK 5KRY Chain:A ((3-403)) GMQKLTILGATGSIGASTLKVIEQNPDKFSVVALAADSNVEKMQQLCQRWQPEYAVMANKEAALRLKMALAV-LAPNTQVLGGQEALCYVATLEQVDSVMAAIVGAAGLVPTMAAVKAGKRILLANKEALVMSGQLFIDEVEKSGAQLLPVDSEHNAIFQCLPQTVQGNLGRCDLA--SQGVSHILLTGSGGPFRYTDVAELEAVTPEQAIA-------PKISVDSATMMNKGLEYIEAKWLFNASRDQLKVIIHPQSVIHSMVQYLDGSVLAQMGEPDMATPIALTLSYPERVKAGVKPLDFTQVGELTFLQPDFERYPCLALAIEACYLGQHATTTLNAANEVAVAAFLARQIKFTDIARVNDSVLNQVCKQ-LDSLESLLELDRMARTLADEVVRER---

General information: TITO was launched using: RESULT: Template: 5KRY.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 : 2191 -109190 -49.84 -283.61 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -49.84 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_5KRY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KRY-query.scw PDB file : Tito_Scwrl_5KRY.pdb: