Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKDTIIALHAEHQGRWKNREEIAERMIALIGQLYREKNIVVSVYGRSLINRSVIQILKTHRRTRVVDVELSVVNTFPILEALAKVENIGSAEVDIGKLAVEYKEKGGDVDAFVAQAVESIKGSATSEQPKDVVLYGFGRIGRILARLIISQSGLGRGLSLKAIVVRKSSDGDLAKRASLLRRDSIHGTFAGTISVDEENEAIIANGNFIKVIYASSPSEVDYTQYGIENALLIDNTGKWRDAEGLSQHLKCPGVARVVLTAPSKGE-MKNVVFGVNNSDILDED-KIISAASCTTNAITPILKVLDDKYKVLNGHVETVHSFTNDQNLIDNYHKADRRGRAATLNMVITETGAAKAVAKALPALKGKLTGNSVRVPTPNVSLAILNLTLDKEVDREEVNEYIRQISINSNLQGQIGYTNSTEVVSSDFIGSRTAGVYDAQAT-ITSGNRLTAYVWYDNEVGYSCQVLRIAEQMCGVSYKKIPAETNA 3B20 Chain:R ((5-331)) ------------------------------------------------------------------------------------------------------------------------------------VAINGFGRIGRNFLRCWFGR----QNTDLEVVAINNTSDARTA--AHLLEYDSVLGRFNADISYDEN--SITVNGKTMKIVCDRNPLNLPWKEWDID--LVIESTGVFVTAEGASKHIQA-GAKKVLITAPGKGEGVGTYVIGVNDSEYRHEDFAVISNASCTTNCLAPVAKVLHDNFGIIKGTMTTTHSYTLDQRILDASHRDLRRARAAAVNIVPTTTGAAKAVALVIPELKGKLNGIALRVPTPNVSVVDLVVQVEKPTITEQVNEVLQKAS-QTTMKGIIKYSD-LPLVSSDFRGTDESSIVDSSLTLVMDGDLVKVIAWYDNEWGYSQRVVDLAE----------------

General information: TITO was launched using: RESULT: Template: 3B20.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain R - contact count / total energy / energy per contact / energy per residue : 1875 -83218 -44.38 -256.84 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain R : 0.74 3D Compatibility (PKB) : -44.38 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_3B20.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B20-query.scw PDB file : Tito_Scwrl_3B20.pdb: