Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MKFSKILVANRGEIAVRVMQTAKAMGYQTVAVYSDADRNARHVQEADEAVYIGASKVSESYLSIAKIIEACKKTGADAVHPGYGFLSENTDFAQACIDNQITFIGPTASAIELMGSKRLSKIAMIEAGVPCVPGYEGDRQDLEYLATQAEQIGFPIMVKASAGGGGRGMRLVQQASELFEALQTARSEAENAFGSGELILEKAVIAPRHVEIQVFGDTHGNYVYLFERDCSIQRRHQKVVEEAPCPVMTPELRQKMGEAAVAAAKTCAYVGAGTVEFLLDA-SGAFYFLEMNTRLQVEHPVTELITGLDLVEWQLRVANGEQLPLKQQELTLNGHAIEVRLYAEDPRQDFLPQTGKILRWKPAALPNVRIDHGMLATDEVSPFYDPMVAKVIAYGKTREDAIRLLARAVDDSVLLGVNSNKQFLVNLLRHPVVVAGDTNTAFIQQHFKNDPSLHYQVLSLETLAIAAALFSQSKGPAVWQTGLGVPLPLKLQTADQQIQLQLSSVNNTFTVQFCEQVVCIDVLEKTPEQLVYLIDGVRRRVQYVLDDDQLYLDRDNGNVLIRNMTYAAPEATDVAGDGKIRAPMDGAVVNILVNEGDQVVKGQTLLILEAMKIQQQIKSDVDGVVDEILGQQGQQVKKRQMLFSIQI-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3VA7 Chain:A ((28-1236)) KKPFETVLIANRGEIAVRIMKTLKRMGIKSVAVYSDPDKYSQHVTDADFSVALHGRTAAETYLDIDKIINAAKKTGAQAIIPGYGFLSENADFSDRCSQ-------------------------------------------------------ENIVFVGPSGDAIRKLGLKHSAREIAERAKVPLVPN-----------------ARHVEIQMMGDGFGKAIAIGERDCSLQRRNQKVIEETPAPNLPEATRAKMRAASERLGSLLKYKCAGTVEFIYDEQRDEFYFLEVNARLQVEHPITEMVTGLDLVEWMLRIAANDSPDFDNTKIEVSGASIEARLYAENPVKDFRPSPGQLTSVSFP--SWARVDTWVKKGTNVSAEYDPTLAKIIVHGKDRNDAIMKLNQALNETAVYGCITNIDYLRSIASSKMFKEAKVATKVLDSFDYKPCAFEVLAPGANT-----SVQDYPGRTGYWRIGVPPSGPM----DSYSFRLANRVVGNNSKSPALEITLNGPKLLFHTETVIAVSG-----GTVSCTLNDAQIAQNEPIEVKRGDILSVGKVTV------------GCRAYLSIRGG--------------IDVPEYLGSRSTFAMGNMGGYNGRILKLGDVLFLNQPELSVSSLPAPDFEPQAAPKSLLPTLSTNKDWKIGVTCGPHGSIDLFKEEYIEQFFNDKWKVHYNSNRFGVRLIGPKPKWARSDGGEAGLHPSNAHDYVYSLGAINFTGDEPVIITCDGPSLGGFVCQAVVAEAELWKVGQLTPGDTIQFVPLSYGVARQLKESQDKSIDNFEEGSLLELSDDKILPKYENPILAVLPKKSDLSPKVTYRQAGDRYILVEYGELEFDLNICYRINRLIHQVERHQTVGIVEMSQGVRSVLIEFDGSKINQKALLKCLIAYESEIQFDKNWNVKSKIFKLPMAFEDSKTLDCVTRYRETIRSEAPWLPNNVDFIADVNDIDRNDVKNMLYSAKFMVLGLGDVFLGSPCAVPLDPRHRYLGTKYNPSRTYTARGVVGIGGMYMCIYNAEGSPGGYQLVGRTITAWDKLVIGDHPIDHPWLLTPFDQVEFYPVTEEELEVIIEDNDNGKFKIDVEESIFDHKEYLAWINENIDSIVAFQEAQGGEKADEFARLIQVANAELKKSEEYPDDAELLYSEYTGRFWKPVAAVGDHVEAGDGVIIIEAMKTEMVVGATKSGKVYKILHKNGDMVEAGDLVAVIV

General information: TITO was launched using: RESULT: Template: 3VA7.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 : 3255 30163 9.27 56.70 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 9.27 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.381

(partial model without unconserved sides chains): PDB file : Tito_3VA7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VA7-query.scw PDB file : Tito_Scwrl_3VA7.pdb: