Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKDTIIALHAEHQGRWKNREEIAERMIALIGQLYREKNIVVSVYGRSLINRSVIQILKTHRRTRVVDVELSVVNTFPILEALAKVENIGSAEVDIGKLAVEYKEKGGDVDAFVAQAVESIKGSATSEQPKDVVLYGFGRIGRILARLIISQSGLGRGLSLKAIVVRKSSDGDLAKRASLLRRDSIHGTFAGTISVDEENEAIIANGNFIKVIYASSPSEVDYTQYGIENALLIDNTGKWRDAEGLSQHLKCPGVARVVLTAPSKGE-MKNVVFGVNNSDILDED-KIISAASCTTNAITPILKVLDDKYKVLNGHVETVHSFTNDQNLIDNYHKADRRGRAATLNMVITETGAAKAVAKALPALKGKLTGNSVRVPTPNVSLAILNLTLDKEVDREEVNEYIRQISINSNLQGQIGYTNSTEVVSSDFIGSRTAGVYDAQAT-ITSGNRLTAYVWYDNEVGYSCQVLRIAEQMCGVSYKKIPAETNA 3B1J Chain:B ((5-331)) ------------------------------------------------------------------------------------------------------------------------------------VAINGFGRIGRNFLRCWFGR----QNTDLEVVAINNTSDARTA--AHLLEYDSVLGRFNADISYDEN--SITVNGKTMKIVCDRNPLNLPWKEWDID--LVIESTGVFVTAEGASKHIQA-GAKKVLITAPGKGEGVGTYVIGVNDSEYRHEDFAVISNASCTTNCLAPVAKVLHDNFGIIKGTMTTTHSYTLDQRILDASHRDLRRARAAAVNIVPTTTGAAKAVALVIPELKGKLNGIALRVPTPNVSVVDLVVQVEKPTITEQVNEVLQKAS-QTTMKGIIKYSD-LPLVSSDFRGTDESSIVDSSLTLVMDGDLVKVIAWYDNEWGYSQRVVDLAE----------------

General information: TITO was launched using: RESULT: Template: 3B1J.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1911 -89244 -46.70 -275.44 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -46.70 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_3B1J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B1J-query.scw PDB file : Tito_Scwrl_3B1J.pdb: