Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLGFIGTGVMGSAVARHLLEAGHEVAVYNRTKAKADPLVTEGAIWADTPKAVAEQSNILFTMVGYPKDVEEIYYGQSGIFSADISGHILVDLTTSTPSLAEKIAKTAKEKGADALDAPVSGGDLGAKNGTLTIMVGGEEAVYDQVLPLFKEFGTTFTLHGSAGKGQHTKMANQIMIAGTMTGMTEMLVYAQKNGLDLKKVIETLSGGSAANWSLSNYSPRILKEDYTPGFFVKHFIKDLKIALEEAEKMDLVLPATTQALKLYEELADKGFENDGTQALIKLWWPEGKIPEKKS 3W6Z Chain:A ((21-300)) MRVGFIGLGIMGGPMATHLLKAGFLAAVYNRTREKTKPFAEAGVYVAESPADLAKRVDVVIVMVSDAPDVEQVLFGPSGVVEGARPGLIVVDMSTNSPDWARKFAERLAQYGIEFLDAPVTGGQKGAIEGTLTIMVGGKEELFHRLLPIFKAMGRDIVYMGPVGYGQAMMLVNQVVVALNTVAMVEGLKLAKALGLDMDKVAEVLTRGAARSGAIELYLPKLLKGDLSPGFKAEHLKKDLGYVLEEARKRGVKLPGAELAYELYRKMVEDGAGSLGIHAL---------------

General information: TITO was launched using: RESULT: Template: 3W6Z.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 : 1575 -200539 -127.33 -716.21 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -127.33 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_3W6Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W6Z-query.scw PDB file : Tito_Scwrl_3W6Z.pdb: