Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRMIRLTDNRPIGFIDSGVGGLTVVKEALKQLPNENILFVGDTARCPYGPRPAEQVIQYTWEMTDYLVEQGIKMLVIACNTATAVALEEIKA-ALSIPVIGVILPGTRAAVKKTQN-KQVGIIGTIGTVKSQAYEKALKEKVPELTVTSLACPKFVSVVESNEYHSSVAKKIVAETLAPLTTKKIDTLILGCTHYPLLRPIIQNVMGENVQLIDSGAETVGEVSMLLDYFNLSNSPQNGRTLCQFYTTGSAKLFEEIAEDWLGIGHLNVEHIELGGK 3OUT Chain:A ((6-262)) ---------DNRPIGVFDSGIGGLTIVKNLMSILPNEDIIYFGDIARIPYGTKSRATIQKFAAQTAKFLIDQEVKAIIIACNTISAIAKDIVQEIAKAIPVIDVITAG----VSLVDNLNTVGVIATPATINSNAYALQIHKKNPNIEVYSNPCGLFVSMIEEGFVSGHIVELVAKEYLSYFHDKNIQALILGCTHYPIIKESIAKIL--DVKLIDPSLQASKMLYSLLFENKLLNTTK-NPEY-RFYVTDIPLKFRSVGEMFL---QTEMQHLEI---

General information: TITO was launched using: RESULT: Template: 3OUT.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 : 1523 -95513 -62.71 -376.04 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -62.71 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_3OUT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OUT-query.scw PDB file : Tito_Scwrl_3OUT.pdb: