Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKSIWIAWKDVKIRITDRKGFMMLILMPLILTCILGAALGSVVDGGSRIDDIKVGYIQSDQSDTANMFTKDVLKKMKSIKVTKVGSKDKMKKLIDEKKIDVGIVIPNHWEAGKTSAVVNAAPDQTLKSSIIETAASSFIEQYKAVKEAASGSMDYISKTEAVKQGKLDPAQFAEKLAKTLEKETGDKLTIAEKSVGSKAVTSFQYYSAAMLCMFMLFHITVGAKSFLQEKDTETLARMLMTPAQKSVILFGKWLGTYLFAIIQFFIFLIVTINVFGVDWGGNLLLVSVLGLSYAAAVSGISMLLASCISDMKTADAIGGFGIQLLAVLGGSMLPLYQFPDVLQSVSKAVPNRWALDGFLSLMEGGGWADLQKPVLLFAAIGFCSLVIGIRRLHTR 3TSD Chain:A ((246-326)) ----------------------------------LVGAAVGVTADAMTRIDALVKASVDAIVLDTAHGHSQGVIDKVKEVR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TSD.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 : 113 -10714 -94.81 -227.95 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.47 3D Compatibility (PKB) : -94.81 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.47 QMean score : 0.131

(partial model without unconserved sides chains): PDB file : Tito_3TSD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TSD-query.scw PDB file : Tito_Scwrl_3TSD.pdb: