Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQHETPLYTGLKKHASRQPVQFHIPGHKKGAGMDPEFRQFIGENALSIDLINIEPLDDLHAPKGIIKQAQDLAAEAFGAD--HTFFSVQGTSGAIMTMVMAVCGPGDKIIIPRNVHKSIM--TAIVFSGAVPIFIHPEIDNELGISHGITLESAKRALTEHPDAKGLLVINP-TYFGVAADLKSIVELAHSFDVPVLVDEAHGVHI-HFHDELPLSAMQAGADIAATSVHKLGGSLTQSSILNMREGLVSKDRVQSI----------------------LSMLTTTSTSYLLLASLDVARKRLATEG-RQLAEETLKLANQTRDRLNQIEGIYCVGSEILGSKAAYSYDPTKLIISVKSLGLTGHDVEKWLRESFNIEVELSD----LYNILCIFTP-GDSQNDADRLVEALTEIAQQMSEQDVTHQQTEVLLPEIPLLAMTPRDAFYANTEVIPLKEASGRIIAEFVMVYPPGIPIFIPGEIITEENISYIFKNLDAGLPVQGPEDSTLHMIRVIKEQKAIQ 3KGW Chain:A ((56-390)) ----------------------------------------------------------------QIMEEIKQGIQYVFQTRNPLTLVVSGSGHCAMETALFNLLEPGDSFLTGTNGIWGMRAAEIADRIGARVHQMIKKPG------EHYTLQEVEEGLAQ-HKPVLLFLVHGESSTGVVQPLDGFGELCHRYQCLLLVDSVASLGGVPIY------MDQQGIDIMYSSSQKVLNAPPGISLISFNDKAKY--KVYSRKTKPVSFYTDITYLAKLWGCEGETRVIHHTTPVTSLYCLRESLALIAEQGLENCWRRHREATAHLHKHLQEM-GLKFFVKDPE----I--RLPTITTVTVPA-GYNWRDIVSYVLDHFSIEISGGLGPTEERVLRIGLLGYNATTENVDRVAEALREALQHCPK------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KGW.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 : 1621 -203254 -125.39 -675.26 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -125.39 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_3KGW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KGW-query.scw PDB file : Tito_Scwrl_3KGW.pdb: