Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLTEQQQDKLSKVQLEESWKRSLTSFLLSPYMDSLRDFLFQQKQAQKTIYPPSKQIFNALNITPLDHVKVVILGQDPYHGPNQANGLSFSVQRGV-ALPPSLRNIFHELHTDLGVPVSRHGDLTKWAEQGVLLLNSVLTVEAGQPTSHHKQGWEEFTDAVIDVLNEQREHIVFILWGAYAQRKGQRINREKHLVLTAAHPSPLAANRGGFFGCKVFSKTNQYLKQHGIEPIDWQLDA 4WS2 Chain:A ((42-237)) --------------------------------------FLRAEIAAGRRYLPAGSNVLRAFTF-PFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASR-GFFGSRPFSRANELLVGMGAEPIDWRL--

General information: TITO was launched using: RESULT: Template: 4WS2.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 : 991 -31136 -31.42 -159.67 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -31.42 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_4WS2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WS2-query.scw PDB file : Tito_Scwrl_4WS2.pdb: