Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALFLQRSNQHSNNNRLKRMKSHLRVHYFQHIAGEGFGSCYSFLKAHHATITATEFFALPVDLPLEIEALP-YIEDVDLLLIMGGTMSVNDEANYPWLKIEKRWIRRYLAAGKPAIGLCLGGQLIANALGAAVSRNRYQELGWSTVQRVPNLPKESFL-LPEKINVMQWHSETFEIPKGAIHLAENSVCRNQMYQIGSNVLGFQFHPEMTPKVLNLLLENEQELSIFKGEYVQSLDELHHCDIQKFEQGNQLLNRAIEFVVNQ 3M3P Chain:A ((2-195)) ---------------------SLKPVMIIQFSASEGPGHFGDFLAGEH--IPFQVL--RMD---RSD-PLPAEIRDCSGLAMMGGPMSAN--DDLPWMPTLLALIRDAVAQRVPVIGHCLGGQLLAKAMGGEVTDSPHAEIGWVRAWPQHVPQALEWLGTWDELELFEWHYQTFSIPPGAVHILRSEHCANQAYVLDDLHIGFQCHIEMQAHMVREWCSISPEEL--------------------------------------

General information: TITO was launched using: RESULT: Template: 3M3P.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 : 1026 -48437 -47.21 -252.27 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -47.21 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.469

(partial model without unconserved sides chains): PDB file : Tito_3M3P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M3P-query.scw PDB file : Tito_Scwrl_3M3P.pdb: