Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKDTIIALHAEHQGRWKNREEIAERMIALIGQLYREKNIVVSVYGRSLINRSVIQILKTHRRTRVVDVELSVVNTFPILEALAKVENIGSAEVDIGKLAVEYKEKGGDVDAFVAQAVESIKGSATSEQPKDVVLYGFGRIGRILARLIISQSGLGRGLSLKAIVVRKSSDGDLAKRAS-LLRRDSIHGTFAGTISVDEENEAIIANGNFIKVIYASSPSEVDYTQYGIENALLIDNTGKWRDAEGLSQHLKCPGVARVVLTAPSKGEMKNVVFGVNNSDILDEDKIISAASCTTNAITPILKVLDDKYKVLNGHVETVHSFTNDQNLIDNYHKADRRGRAATLNMVITETGAAKAVAKALPALKGKLTGNSVRVPTPNVSLAILNLTLDKEVDREEVNEYIRQISINSNLQGQIGYTNSTEVVSSDFIGSRTAGVYDAQATITSGNRLTAYV-WYDNEVGYSCQVLRIAEQMCGVSYKKIPAETNA 1RM3 Chain:A ((4-329)) ------------------------------------------------------------------------------------------------------------------------------------VAINGFGRIGRNFLRCW-----HGRKDSPLDVVVINDAGG--VKQASHLLKYDSILGTFDADVKT-AGDSAISVDGKVIKVVSDRNPVNLPWGDMGID--LVIEGTGVFVDRDGAGKHLQA-GAKKVLITAPGKGDIPTYVVGVNEEGYTHADTIISNASCTTNCLAPFVKVLDQKFGIIKGTMTTTHSYTGDQRLLDASHRDLRRARAACLNIVPTSTGAAKAVALVLPNLKGKLNGIALRVPTPNVSVVDLVVQVSKKTFAEEVNAAFRE-SADNELKGILSVCDE-PLVSIDFRCTDVSSTIDSSLTMVMGDDMVKVIAWYDNEWGYSQRVVDLAD----------------

General information: TITO was launched using: RESULT: Template: 1RM3.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 : 1925 -11700 -6.08 -36.11 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -6.08 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_1RM3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RM3-query.scw PDB file : Tito_Scwrl_1RM3.pdb: