Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKSIWIAWKDVKIRITDRKGFMMLILMPLILTCILGAALGSVVDGGSRIDDIKVGYIQSDQSDTANMFTKDVLKKMKSIKVTKVGSKDKMKKLIDEKKIDVGIVIPNHWEAGKTSAVVNAAPDQTLKSSIIETAASSFIEQYKAVKEAASGSMDYISKTEAVKQGKLDPAQFAEKLAKTLEKETGDKLTIAEKSVGSKAVTSFQYYSAAMLCMFMLFHITVGAKSFLQEKDTETLARMLMTPAQKSVILFGKWLGTYLFAIIQFFIFLIVTINVFGVDWGGNLLLVSVLGLSYAAAVSGISMLLASCISDMKTADAIGGFGIQLLAVLGGSMLPLYQFPDVLQSVSKAVPNRWALDGFLSLMEGGGWADLQKPVLLFAAIGFCSLVIGIRRLHTR 4MY1 Chain:A ((119-178)) ----------------------------------LVGAAVGVTADAMTRIDALVKASVDAIVLDTAHGHSQGVIDKVKEVR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4MY1.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 : 118 -8996 -76.23 -191.39 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.47 3D Compatibility (PKB) : -76.23 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.47 QMean score : 0.105

(partial model without unconserved sides chains): PDB file : Tito_4MY1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MY1-query.scw PDB file : Tito_Scwrl_4MY1.pdb: