Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALLAEFYSKEGNMNTNLASFIVGLIIDENDRFYFVQKDGQTYALAKEEGQHTVGDTVKGFAYTDMKQKLRLTTLEVTATQDQFGWGRVTEVRKDLGVFVDTGLPDKEIVVSLDILPELKELWPKKGDQLYIRLEVDKKDRIWGLLAYQEDFQRLARPAYNNMQNQNWPAIVYRLKLSGTFVYLPENNMLGFIHPSERYAEPRLGQVLDARVIGFREVDRTLNLSLKPRSFEMLENDAQMILTYLESNGGFMTLNDKSSPDDIKATFGISKGQFKKALGGLMKAGKIKQDQFGTELI 3A1Y Chain:G ((1-284)) MAHVAE---WKKKEVEELAKLI-----KSYPVIALVDVS-----------------SMPAYPLSQMRRLIRENGGLLRVSRNTL------------------------------IELAIKKAAKELGKPELEKL-VEYIDRGAGILVTNMNPFKLYKFLQQNRQPQP-------LEVGLDVLAVYED---GIVYTPDVLAIDEQEYIDMLQKAYMHAFNLAVNIA--YPTPETIEAIIQKAFLNAKTVAIEAGYITKETIQDIIGRAFRAMLLLAQQLP------------------

General information: TITO was launched using: RESULT: Template: 3A1Y.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 689 -55328 -80.30 -262.22 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain G : 0.61 3D Compatibility (PKB) : -80.30 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.246

(partial model without unconserved sides chains): PDB file : Tito_3A1Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A1Y-query.scw PDB file : Tito_Scwrl_3A1Y.pdb: