Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLPLLEVSQLKMHFDAGKKRTVKAVDGVTFQIREGETFGLVGESGCGKSTLGRVLMRLYQPT----EGSVTYRGTNLHALSEKEQFAFNRK-LQMIFQDPYASLNPRMTVREIILEPMEIHNLYNTHKARLLVVDELLEAVGLHPD-FGSRYPHEFSGGQRQRIGIARALSLNPEFIVADEPISALDVSVQAQVVNLLKRLQKEKGLTFLFIAHDLSMVKHISDRIGVMYLGHMMEITESGTLYREPLHPYTKALLSSIPIPDPELEDKRERILLKGELPSPVNPPSGCVFRTRCPEAMPECGESRPQLQEIEPGRFVACHLYRNAETKEKVR 4FWI Chain:B ((20-319)) ----------------------TIKAADGISLDILENSVTAIVGESASGKSTIIEAMTKTLPPNGRILSGRVLYKGKDLLTMREEELRKIRWKEIALVPQAAQQSLNPTMKVIEHFKDTVEAHGVRWSHSELIEKASEKLRMVRLNPEAVLNSYPLQLSGGMKQRVLIALALLLDPVVLILDEPTSALDVLTQAHIIQLLKELKKMLKITLIFVTHDIAVAAELADKVAVIYGGNLVEYNSTFQIFKNPLHPYTRGLINSIM----------P---IPGDPPSLLNPPSGCRFHPRCEYAMEICKKEKPKWIRLDGEAHVACHLY----------

General information: TITO was launched using: RESULT: Template: 4FWI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1440 -178106 -123.68 -627.13 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -123.68 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_4FWI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FWI-query.scw PDB file : Tito_Scwrl_4FWI.pdb: