Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MVTMQYS--CGKININIPDGYGDIKDIVFSAHIIVRYNNGHCGGIDPHIIGLCKKQIRRMSLYPILIIVSRDSKVIDDYKNLDIAYVDCTQCSNNFETALHVKNILKLLKIQLIHCHGYSTNYFLYMLKKLDKNGFGKVKTVITCHGWVEYNLKKKFLTYFDFWTYSMGDAFICVSETMKKRLESI--IKNKKIVAINNGINVSNSDLDVVGVQDFKKEFCIPNNKKIICYVGRLDPEKRPDRFLEFAEKLFLVREDVIFIMAGNGSMWAALKEKICHLKCRDNFRLLGEI--YPATIVYQISDLLYIPSDTEGIPMCVLESMSQGTSVLASNVGGLSEIIEHRVDGFLFEKEDVEGVCACANFLLNDSEYLKYIGENSKSKIRKHFSVQKMFVETMRVYDELLEKSSHG------ 3C48 Chain:A ((19-438)) SHMRVAMISMHTSPLQQGMNVYILSTATELAKQGIEVDIYTRATRPSQGEIVRVAEN---LRVINIAAGP----------------YEGLSKEELPTQLAAFTGGMLSFTRREKVTYDLIHSHYWLSGQVGWLLRDLWRIPLIHTAHTLAAVKNSYDTPESEARRICEQQLVDNADVLAVNTQEEMQDLMHHYDADPDRISVVSPGADVELYSP---GTERSRRELGIPLHTKVVAFVGRLQPFKGPQVLIKAVAALFDRDPDRNLRVIICGGPSDTYRHMAEELGVEKRIRFLDPRPPSELVAVYRAADIVAVPSFNESFGLVAMEAQASGTPVIAARVGGLPIAVAEGETGLLVDGHSPHAWADALATLLDDDETRIRMGEDAVEHA-RTFSWAATAAQLSSLYNDAIANENVDGETHHG

General information: TITO was launched using: RESULT: Template: 3C48.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 : 2124 18469 8.70 48.48 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 8.70 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_3C48.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C48-query.scw PDB file : Tito_Scwrl_3C48.pdb: