Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFVKNDQTAVFALGGLGEIGKNTYAVQFQDEIVLIDAGIKFPEDELLGIDYVIPDYTYLVKNEDKIKGLFITHGHEDHIGGIPYLL-RQVNIPVYGGKLAIGLLRNKLEEHGLLRQTKLNIIGEDDIVKFRKTAVS-FFRTTHSIPDSYGIVVKTPPGNIVHTGDFKFD---FTPVGEPANLTKMAEIGKEGVLCLLSDSTNSENPEFTMSERRVGESIHDIFRKVDGRIIFATFASNIHRLQQVIEAAVQNGRKVAVFGRSMESAIEIGQTLGYINCPKNTFIEHNEINRMPANKVTILCTGSQGEPMAALSRIANGTHRQISINPGDTVVFSSSPIPGNTISVSRTINQLYRAGAEVIHGPLNDIHTSGHGGQEEQKLMLRLIKPKFFMPIHGEYRMQKMHVKLATDCGIPEENCFIMDNGEVLALKGDEASVAGKIPSGSVYIDGSGIGDIGNIVLRDRRILSEEGLVIVVVSIDMDDFKISAGPDLISRGFVYMRESGDLINDAQELISNHLQKVMERKTTQWSEIKNEITDTLAPFLYEKTKRRPMILPIIMEV 4XWW Chain:A ((21-559)) ----------VIPLGGMGEIGKNITVFRYGDEIVVVDGGLAFPKAHQMGIDLIVPRIDYLLEHQDKIKGWILTHGHEDHIGGLPYIFARLPRVPVYGLPLTLALVREKLSEFGL-QDVDLREVTYGDEVRFGQSFVAEFFCMTHSIPDNAGYILKTPVGDVLHTGDFKIDPDVGTGAGIVSDLERVEQAGKDGVLLLISDSTNAERPGHTPSEAEIARNLEEIIKGCRGRVFLTTFASQVYRIQNILDLAHRQGRRVVMEGRSMIKYAQAAQATGHMNPPE-PFLTSEEVGELQDQQVLFVCTGSQGQPMAVLGRLAFGTHAKIALRRGDTVILSSNPIPGNEDAVNLIVNRLYEIGVDVVYPPTYRVHASGHASQEELATILNLTRPKFFLPWHGEPRHQINHAKLAQTLPRPPKRTLIAKNGDIVNLGPDEFRVSGTVAAGAVYVDGLGVGDVNDDVLLDRVNLSQEGLLILTAVL-----HPTPHVEVVARGFA--RPNRDLELQIRRVALEAVEQGL-REKKRLEDVRDDMYGAVRRFTRKATGRNPVLIPMIVD-

General information: TITO was launched using: RESULT: Template: 4XWW.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 : 3111 -331381 -106.52 -620.56 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -106.52 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_4XWW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XWW-query.scw PDB file : Tito_Scwrl_4XWW.pdb: