Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQMKKKFITGGIVVAFLCLIGYTGTRYANEIILWGGETDIDTINENLTQLDHTLTDKEQAITDLTARLAQKEQTLQDSKADVQEYQTKVNELENQKNQSAAEKQNL--ESQLVSKDAQLQSKQNEINVKLDEINQKNDEINHLNADWTARLQEAQAKLSELQNTV-----NGLNQQIATLTQEKTNVETQLTDTQKKLDEATAENSSLKQYIQKLEKAKDEVEDTADKSQQIVEEHLRK 2PMS Chain:C ((12-119)) -------------------------------------------------------------------------------------QAKIAELENQVHRLEQELKEIDE--------APLQSKLDAKKAKLSKLEELSDKIDELDAE-IAKLED-QLKAAEE----EDYFKEGLEKTIAAKKAELEKTEADL------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PMS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 118 17258 146.25 203.04 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain C : 0.67 3D Compatibility (PKB) : 146.25 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.596

(partial model without unconserved sides chains): PDB file : Tito_2PMS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PMS-query.scw PDB file : Tito_Scwrl_2PMS.pdb: