Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRASTVTIKTEQDLEKLRVSGRLAAQVLEMIGEYVKPGVTTEYLDNICNDYIVNTLKVIPANVGYHGFTKTICISVNEVVCHGIPSQNKILKDGDIINIDVAIIKDGYFGDTSRMYYVGNVNPHAKKLVETTYEAMVAGIHAVKPGATLGDIGYAIQSVAHREGYSIVREYCGHGIGKVYHEQPNILHYGQRGQGLVLKKGMVFTIEPMVNAGKPQVKELNDGWTVITQDHSLSAQWEHMVAVTDTGFELLTPWPEGVGNYPEI 4IU6 Chain:A ((127-380)) ----QIKLLSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLAC-IARNCYPSPLNYYNFPKSCCTSVNEVICHGIPDRR-PLQEGDIVNVDITLYRNGYHGDLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHAQANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMICEGGWQDETWPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDSARP----

General information: TITO was launched using: RESULT: Template: 4IU6.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 : 1529 -163500 -106.93 -643.70 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -106.93 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_4IU6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IU6-query.scw PDB file : Tito_Scwrl_4IU6.pdb: