Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEMKEVYKAYPNGVKALNGISVTIHPGEFVYVVGPSGAGKSTFIKMIYREEKPTKGQILINHKDLATIKEKEIPFVRRKIGVVFQDFKLLPKLTVFENVAFALEVIGEQPSVIKKRVLEVLDLVQLKHKARQFPDQLSGGEQQRVSIARSIVNNPDVVIADEPTGNLDPDTSWEVMKTLEEINNR-GTTVVMATHNKEIVNTMKKRVIAIEDGIIVRDESRGEYGSYD 4KI0 Chain:B ((4-210)) -VQLQNVTKAWGEVVVSKD-INLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRM-----NDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAG---------------

General information: TITO was launched using: RESULT: Template: 4KI0.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 : 997 -118868 -119.23 -577.03 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -119.23 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.570

(partial model without unconserved sides chains): PDB file : Tito_4KI0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KI0-query.scw PDB file : Tito_Scwrl_4KI0.pdb: