Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MGES----TSLKEILSTLTKRILLIMIVT--AAATAAGGLISFFALTPIYENSTQILVNQ-SKNERKEVQFND--------------VQTNLQLINTYNVIIKSPAILDEVIKE-------MG------LSMTSQELNDK--------ITVSSEQDSQVVNISVRDENAETAAH----IANTIASVFQDKITSIMN--VDNVSILSKAEVSEHPSPVSPKPLLNI--AIAFAAGLAGSIGLAFLLEHLDNTIKSEEQ-------------LESLLDIPVLGTVSTIANEQKTAKTLQGFQSEKTGSG-----HFGA------------------------------ 4QRN Chain:A ((22-373)) SMTQDLKTGGEQGYLRIATEEAFATREIIDVYLRMIRDGTADKGMVSLWGFYAQSP-SERATQILERLLDLGERRIADMDATGIDKAILALTSPGVQPLHDLDEARTLATRANDTLADACQKYPDRFIGMGTVAPQDPEWSAREIHRGARELGFKGIQINSHTQGRYLDEEFFDPIFRALVEVDQPLYIHPATSPDSMIDPMLEAGLDGAIFGFGVETGMHLLRLITIGIFDKYPSLQIMVGHMGE-ALPYWLYRLDYMHQAGVRSQRYERMKPLKKTIEGYLKSNVLVTNSGVAWEPAIKFCQQVMGEDRVMYAMDYPYQYVADEVRAMDAMDMSAQTKKKFFQTNAEKWFKL

General information: TITO was launched using: RESULT: Template: 4QRN.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 : 1196 220 0.18 0.89 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 0.18 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.185

(partial model without unconserved sides chains): PDB file : Tito_4QRN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QRN-query.scw PDB file : Tito_Scwrl_4QRN.pdb: