Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MTTEKEMKQIQNEFKERMDEG---ELLNCMRCGFCLPSCPTYIESGFQETHSPRGRIALMKAVADGMIEPDEDVERSLSLCLGCRACEPVCPSGVKYGQLLEEARDIIHQNKKHSLGERV-MRKTAFHELFPHQNRMRSAVSLIGLYQRSGLQTAVRKSGMLRVLPEH-LRTMEAVLPD-VPKSKDMKHRPRFLPSIGPMKKRVAFFSGCLMDTMFLPTNNATLKLL-QLAGC-----DIVIPPEQACCGALHGHSG-----EKNTGKELAKQN----IAAFEALDVDAVITNAGGCGAFLTEYDHLLKDDPEWSERAAAFVQKLKDFSSVLVELDFHQMDLALETPQVVTYQDSCHLRNVMHTSLEPRQLLKSIKGAEFKEMEKADSCCGSAGIYNIVEVEMSMKILDSKMAAVKATEAILIVTANPGCLLQMKLGIEREGLSGKVRAVHLAD--LLLEAAGHKTS----- 3JCM Chain:B ((22-465)) NESTADILKQLPHERLQAVLEKIPEEDLEVRRLLSILKKPEVVENEDVQQRRIRLAEILMVDEIDLENINNDFFTPATSELIFARRFLINYSLERSRKRLQKEMERHQKFNTRQELLSRRTELQRMANLELAGSQLVSTKPISAVSLSTDDMVVATGSWAGDLQVLNSQTLQPLTQKLDSHVGKIGAIDWHP------DSNNQMISCAEDGLIKNFQYSNEEGGLRLLGDLVGHERRISDVKYHPSGKFIGSA-SHDMTWRLWDASTHQELLLQEGHDKGVFSLSFQCDGSLVCSGGMDSLSMLWDI----------RSGSKVMTLAGHSKPIYTVAWSPNGY-----QVATGGGD-GIINVWDIRKRDEGQLNQIL----------------AHRNIVTQVRFSKEDGGKKLVSCGYDNLINVYSSDTW----LKMGS-LAGHTDKIISLDISNNSHFLVSGGWDRSIKLWN

General information: TITO was launched using: RESULT: Template: 3JCM.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 : 1884 20252 10.75 50.63 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : 10.75 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.156

(partial model without unconserved sides chains): PDB file : Tito_3JCM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3JCM-query.scw PDB file : Tito_Scwrl_3JCM.pdb: