Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQKGAIWKDTVKDLSKEADVIITMVGYPSDVEEVYFGSNGIIENAKEGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQYQGPAGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAPRMLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPGLSLAKSLYDKLAAQGEENSGTQSIYKLWVK 3WS7 Chain:A ((19-303)) SHMRVGFIGLGIMGGPMATHLLKAGFLAAVYNRTREKTKPFAEAGVYVAESPADLAKRVDVVIVMVSDAPDVEQVLFGPSGVVEGARPGLIVVDMSTNSPDWARKFAERLAQYGIEFLDAPVTGGQKGAIEGTLTIMVGGKEELFHRLLPIFKAMGRDIVYMGPVGYGQAMKLVNQVVVALNTVAMVEGLKLAKALGLDMDKVAEVLT---ARSGAIELYLPKLLKGDLSPGFKAEHLKKDLGYVLEEARKRGVKLPGAELAYELYRKMVEDGAGSLGIHALGFY---

General information: TITO was launched using: RESULT: Template: 3WS7.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 : 1634 -213781 -130.83 -758.09 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -130.83 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.570

(partial model without unconserved sides chains): PDB file : Tito_3WS7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WS7-query.scw PDB file : Tito_Scwrl_3WS7.pdb: