Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MQLTELSIKNQNVFVQHYIDGKEEM--SSFFDYSIHHKDMWRERLEDLSSRF--------FAREELAAYLTSYHNKFGSSAMQSAIEKLK--------------------------DPSSAAVVGGQQAGLLT---------GPLYTIHKIISIIVLAKQQEKELQVPVIPIFWVAGEDHDLDEINFVHTSEEN--------GPVKKKLPQSYWKKSSAASTSLD---QEKCAAWIDDVFAAFEETDHTNTLLDNVKRCLR--ESVTFTDFFELLIAD----------------LFQEEGLVLLNSGDPGIKKLETAMFQ----KILRENDELARA-VSDQQAFMRQAGYKPI-----IESGKEQANLFYEYEDERFLIEKDNGRFVIKEL----DLGWTRDELHTHMEEHPERFSNNVVTRPLMQEFLIPTLAF---IAGPGEINYWGELKQAFAVMGFKMPPVMPRLNITILERHIEKKLAERNISLQDAIERGTENQRETYFERQIPEEFTAVMDQAKSQIEAIHKTVRQEALKVDQSLEPLLLKNAAFIQDQLQFLERTVMKRIEEKEGYVLKDYERIQNSIKPLLAPQERIWNIMYYLNRYGPKFFTTFKNL-PFSFQNQHQVVKL--------- 3O6X Chain:A ((3-728)) KMRFFALQELSNRKPLEITTPSNKLSDYYASHVFDRKKMQEYLPKEAYKAVVDATEKGTPISREMADLIANGMKSWAKSLNVTHYTHWFQPLTKHDGFIEFGEDGEVIERFSGKLLTAWDGSSPAFVVDTTLCIPTIFIEALDYKTPLLKALAAVDKAATEVCQLFDKNITRVFTNLGWEQEYFLVDTSLYNARPDLRLTGRTLMGHSIPPRVTAFMKELEIECHKLGIPVKTRHNEVAPNQFELAPIFENCNLANDHNQLVMDLMKRIARKHHFAVLFHEKPYNGVNGSGKHNNWSLCTDTGINLFAPGKNPKGNMLFLTFLVNVLMMVHKNQDLLRASIMSAGNSHRLGANEAPPAILSIFLGSQLSATLDEIRNRTSPFAFTGNRFEFRAAGSSANCAAAMIAINAAMANQLNEFKASVDKDEAIFRILKENIIASELIRFEGD-GYSEEWKQEAARRGLTNICHVPEALMHYMDNQSRAVLIGERIFNETELACRLEVELEKY-TMKVQIESRVLGDLAINHIVPIAVSYQNRLLENLCRMKEI---FSEEEYEVMSADRKELIKEISHRVSAIKVLVRDMTEARKVANHKENFKEKAFAYEETVRPYLESIRDHIDHLEMEIDDEIWPLPKYRELLFT

General information: TITO was launched using: RESULT: Template: 3O6X.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 : 2341 -153740 -65.67 -287.90 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -65.67 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.214

(partial model without unconserved sides chains): PDB file : Tito_3O6X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3O6X-query.scw PDB file : Tito_Scwrl_3O6X.pdb: