Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEMKEVYKAYPNGVKALNGISVTIHPGEFVYVVGPSGAGKSTFIKMIYREEKPTKGQILINHKDLATIKEKEIPFVRRKIGVVFQDFKLLPKLTVFENVAFALEVIGEQPSVIKKRVLEVLDLVQLKHKARQFPDQLSGGEQQRVSIARSIVNNPDVVIADEPTGNLDPDTSWEVMKTLEEINNR-GTTVVMATHNKEIVNTMKKRVIAIEDGIIVRDESRGEYGSYD 3PUY Chain:A ((4-210)) -VQLQNVTKAWGEVVVSKD-INLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRM-----NDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAG---------------

General information: TITO was launched using: RESULT: Template: 3PUY.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 : 982 -121376 -123.60 -589.20 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -123.60 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_3PUY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUY-query.scw PDB file : Tito_Scwrl_3PUY.pdb: