Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKSIWIAWKDVKIRITDRKGFMMLILMPLILTCILGAALGSVVDGGSRIDDIKVGYIQSDQSDTANMFTKDVLKKMKSIKVTKVGSKDKMKKLIDEKKIDVGIVIPNHWEAGKTSAVVNAAPDQTLKSSIIETAASSFIEQYKAVKEAASGSMDYISKTEAVKQGKLDPAQFAEKLAKTLEKETGDKLTIAEKSVGSKAVTSFQYYSAAMLCMFMLFHITVGAKSFLQEKDTETLARMLMTPAQKSVILFG---KWLGTYLFAIIQFFIFLIVTINVFGVDWGGNLLLVSVLGLSYAAAVSGISMLLASCISDMKTADAIGGFGIQLLAVLGGSMLPLYQFPDVLQSVSKAVPNRWALDGFLSLMEGGGWADLQKPVLLFAAIGFCSLVIGIRRLHTR 3IRS Chain:A ((3-283)) LK----------------------------IIDFRLRPPAMGFLNA-------------RIYTRPDIRNRFTRQLGFEPAPSAEEKSLELMFEEMAAAGIEQGVCVGRNSSVLGSVSNADVAAVAKAYPDKFHPVGSIEAATRKEAMAQMQEILDL-----GIRIVNLEPGVWATPM-----------------HVDDRRLYPL-YAFCEDNGIPVIMMTGGNAGPDITYTNPEHIDRVLGDFPDLTVVSSHGNWPWVQEIIHVAFRR----------------PNLYLSPDMYLYNLPGHADFIQAANSFLADR---------------MLFGTAYPMCPLKEYTEWFLTLPIKPDAMEKILH-----------------------GNAERLLAQAGR

General information: TITO was launched using: RESULT: Template: 3IRS.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 : 1649 -194510 -117.96 -699.67 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -117.96 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.282

(partial model without unconserved sides chains): PDB file : Tito_3IRS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IRS-query.scw PDB file : Tito_Scwrl_3IRS.pdb: