Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MNDFTTEIVQT--LVTKGDLNELFR-----SHLEKAINTLLRTELTAF---------------LDYEKYDRTGF--------NSGNSRNGSYFR----SIKTEYGELTLEIPRDRNGEFKQQTLPAYKRTNDTLETTII----HLFEKGVTM-----------SEIADLIEKMYGHHYT----------------PQTMSNMTKVLTEE---VNAFKSRALNDKYVAI----FMDA----TYIPLKRQTVSKEAIYIAIGIREDGTKEVLSYAIAPTESTYVWNELLQDINSRGVQEVLLFITDGLKGMK-----DTIHQIYPKAKYQH-------CCIHVSRNIAH----KVRVKDRKEICDDFKAVYQANSKEEANTFLSGMIEKWKKNYPKVTQSLIENQDLLTFYDFPPSIRRTIYSTNLIESFNKQIKRYSRRKEQFQNEESLERFLVSIFDTYNQKFLNRSHKGFQQVTD-TLVSMFTE-- 4TWA Chain:A ((3-497)) MAITSKKIENFSDWYTQVIVKSELIEYYDISGCYILRPAAYYIWECVQAFFNKEIKKLNVENSYFPLFVTKNKLEKEKNHIEGFSPEVAWVTKYGDSNLPEEIAIRPTSETIMYSVFPKWIRSYRDLPLKLNQWNTVVRWEFKQPTPFIRTREFLWQEGHTAHKNEEEAVKLVFDILDLYRRWYEEYLAVPIIKGIKSEGEKFGGANFTSTAEAFISENGRAIQAATSHYLGTNFAKMFKIEFEDENEVKQYVHQTSWGCTTRSIGIMIMTHGDDKGLVLPPNVSKYK-VVIVPIFYKTTDENAIHSYCKDIEKILKNAQINCVYDDRASYSPGYKFNHWELRGIPIRIEVGPKDLQNNSCVIVRRDNNEKCNVKKESVLLETQQMLVDIHKNLFLKAKKKLDDSIVQVTSFSEVMNALNKKKMVLAPWCEDIATE---EEIKKETQRLSL-----TLSGAMKPLCIPLDQPPMPPNMKCFWSGKPAKRWCLFGRSY

General information: TITO was launched using: RESULT: Template: 4TWA.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 : 1954 71327 36.50 186.23 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 36.50 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.191

(partial model without unconserved sides chains): PDB file : Tito_4TWA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TWA-query.scw PDB file : Tito_Scwrl_4TWA.pdb: