Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGMSAISTETLSLGYGDAVIIDELNLTIPKGEITVFIGSNGCGKSTLLRSLARLMKPRGGSVLLEGRAIAKLPTKEVAKELAILPQGPSAPEGLTVHQLVKQGRYPYQNWLKQWSKEDE---EAVERALKATKLEDMADRAVDSLSGGQRQRAWIAMTLAQETDIILLDEPTTYLDMTHQIEILDLLFELNEKEDRTIVMVLHDLNLACRYAHHLVAIKDKRIYAEGRPEEVITCDLVQNVFSMNCQVTQDPLFGTPLCIPHGRGRCIVQEAAFTSHG 4JBW Chain:A ((2-221)) ---ASVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAE--RGVGMVFQSYALYPHLSVAENMSFG-------LKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLEL----------------------------------------------

General information: TITO was launched using: RESULT: Template: 4JBW.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 : 1045 -71800 -68.71 -330.88 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -68.71 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_4JBW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JBW-query.scw PDB file : Tito_Scwrl_4JBW.pdb: