Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------MDIRQVTETIAMIEEQNF------DIRTITMGISLLDCIDPNINRAAEKIYQKITTKAANLVAVGDEIAAELGIPIVNKRVSV---TPISLIGAATDATDYVVLAKALDKAAKEIGV---DFIGGFSALVQK--GYQKGDEILINSIPRALAETDKVCSSVNIGSTKSGINM-----TAVADMGRIIKETANLSDMGVAKLVVFANAVEDNPFMAGAFHGVGEADVIINVGVSGPGVVKRALEKVR-GQSFDVVAETVKKTAFK------ITRIGQLVGQMASE--------RLGVEFGIVDLSLAPTPAVGDSVARVLEEMGLETVGTHGTTAALALLNDQVKKGGVMACNQVGGLSGAFIPVSEDEGMIAAVQNGSLNLEK----LEAMTAICSVGLDMIAIP---------EDTPAETIAAMIADEAAIGVINMKTTAVRIIPKGREG--DMIEFGGLLGTAPVMKVNG------ASSVDFISRGGQIPAPIHSFKN 4R8A Chain:A ((16-553)) LPEPFYYLHNFRAVLAWIGERYADLLDDQERAFIAAFAELPEASQALLVRMVMRKGTLFREGKLAYAEIGDTRAAVQPLLALGWVDAQPTLELAQLFGLLKKDELSQLFRDHLGRANLRKDALLERLQPLFPEARRLAEWQADFAEPVYELRCMALCDRLRLMYFGNLWQDWSEFVLADLGIYRYESVEFSADSRGFRLRADVDAYLHLFDCRQRFDLGEPLEELLAGLPGEPYANPWLEGRRVKLLFQFAQHCEKQ-------RDFDLAQRLYRQS-SHPGARLRAIRSLERGERFAEAHALAREASCAPESDAERQGLARLLPRLQGKLGLPRQARAAAPEIDRLDLCLAFPSEPCSVEWAVREHLEEPGCAVHYVENGLINSLFGLLCWEAIFAAIPGAFFHPFHSAPADLHSADFRQRRAALFEACLGRLEDGSYRDAIRCRYRDKFGLQSPFVYWELLGEELLEQALDCLPAAHLRAWFERLLEDIPGNRAGLPDLIQFWPAQRRYRMVEVKGPGDRLQDNQLRWLQFCREREMPVAVCYV

General information: TITO was launched using: RESULT: Template: 4R8A.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 : 1558 1219 0.78 2.79 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 0.78 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.181

(partial model without unconserved sides chains): PDB file : Tito_4R8A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R8A-query.scw PDB file : Tito_Scwrl_4R8A.pdb: