Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------MSVVDFSQLPPPNLIKELDFEQILA-------KRKERFISLFPTEQQLQWKEVLERESEPVTKLLEENAYMELILTNQINQDARALLLAFSSGSD----LDHIAISYYGLKRLVITPANPNTVPPTAAVMETDENLKERCILSL-SGLNTAGATNAYKFFAKS-----ADGRVADASIISHEDNPCFLDVYITQHDSTNYE-ASPDLINIVQKALDPEDVRPVGDRPTVHSSKAVPYQIQARLYISQTAENV--------------MLLSVAKKRL-----EKYVENSKKIGQSIRRSAIYAALHVDGV---SRVEILN-LTSDIEISRSQHAFCTSLDIQIGGTE----------------------------------------------------------------- 5A1S Chain:A ((16-448)) SDLLRFKIFGMPLPLYAFALITLLLSHFYNAIPTDLVGGFALMFVMGAIFGEIGKRLPIFNKYIGGAPVMIFLVAAYFVYAGIFTQKEIDAISNVMDKSNFLNLFIAVLITGAILSVNRKLLLKSLLGYIPTILAGIVGASLFGIVIGLCFGIPVDRIMMLYVLPIMGGGNGAGAVPLSEIYHSVTGRSREEYYSTAIAILTIANIFAIIFAALLDMVGKKYTWLSGEGELVRKASFKTEDDEKAGQITHRETAVGMVLSTTCFLLAYVVAKKILPSIGGVSIHYFAWMVLIVAALNASGLCSPEIKAGAKRLSDFFSKQLLWVLMVGVGVCYTDLQEIIDALTFANVVIAAIIVVGAVVGAAIGGWLIGFYPIESSITAGLCMANRGGSGDLEVLSACNRMNLISYAQISSRLGGGIVLVIASIVFSMMVLE

General information: TITO was launched using: RESULT: Template: 5A1S.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 : 907 -36491 -40.23 -119.64 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -40.23 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.091

(partial model without unconserved sides chains): PDB file : Tito_5A1S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5A1S-query.scw PDB file : Tito_Scwrl_5A1S.pdb: