Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------MKKIKWLSGQPKVTSGVTWGMPWKKGELKKGDRLALMNENAETRYVQSEPSAYWPDGSIKWTKHAAVFGGQENQSFTVHKREVPQPTESLSILETEHDIQVDTGALVCTIHKTGSDFIQSLQINGKPIAAGGRLVAIRETRKESAAKMVLLHERSVSFIKRAAIEQSGPVKAVVKIEGVHVLHKTYEEWLPFVIRLTFYAGLSEIGLVHTQLIDRSGKLEFVKG---LGIEFDLFLEG---EPYNRHFRFAG------EKGMYKEPAQLFGTRKFNE----RYPLYEKQINGEMLSPDEEHKEWFAHGTQ-NAVWDD--VKIVQDSSDHYSLSKRTGKDYAWVGMLHGSR------AKGLCYAGGKNGGVALGLRYFFEKYPSALEITGLAGSRPKMTIW-----LW--------PPDGEAMDLRHY-TGNTHVASAYE----------------------------GFDEMRSDPTGIANTNEISLACFSH------------------------------------MPSDEVLN---------ALADKWQAPPLIVCEPDVYYESKALGVWSIIDTSHPLKKEL-EEQLDAAF-----LFYKKEVEQRRWYG---FWHYGD-------VMHTYDPIRHMWRYDL---------------GGYAWQNNELVPTLWLWQA----------FFRSGREDIFRMAEAMTRHTSET-----------------------------------------DSFHLGEYAG----LGSRHNVVHWGCGCKEA----------------------RISMAGLHKFYYYLTGD-DRTGDLLTEVKDADYALVKTDP-MRAFYEKGKHPTHARTGPDWAAFCSNWLAEWERTENSEYLKKIET------GI-NCLKRLPLRLLSGPTFE-----YDPATSMLHHMGDGIAGGYHMIIAF-GAP----------QVWME------------LAELLDDWEWEDMLSEFGEFYTLSDEEKRKKSGGALHDGHFHWPMFAAGM-----TAYAARKKQDPHLAAKAWNLLLEDKLSHTPLPIKPERIETWTQ-LEELPWVTTNTVSQWCLN--VIAALELIGDSLPAKKETSGKKG-------------------- 3VA7 Chain:A ((28-1236)) KKPFETVLIANRGEIAVRIMKTLKRMGIKSVAVYS---------DPDKYSQHVTDADFSVALHGRTA--AETYLDIDKIINAAKKTGAQAIIPGYGFLSENADFSDRCSQENIVFVGPSGDAIRKLGLKHSAREIAERAKVPLVPNARHVEIQ-MMGDGFGKAIAIGERDCSLQRR-------NQKVIEETPAPNLPEATRAKMRAASERLGSLLKYKCAGTVEFIYDEQRDEFYFLEVNARLQVEHPITEMVTGLDLVEWMLRIAANDSPDFDNTKIEVSGASIEARLYAENPVKDFRPSPGQLTSVSFPSWARVDTWVKKGTNVSAEYDPTLAKIIVHGKDRNDAIMKLNQALNET-AVYGCITNIDYLRSIASSKMFKEAKVATKVLDSFDYKPCAFEVLA-PGANTSVQDYPGRTGYWRIGVPPSGPMDSYSFRLANRVVGNNSKSPALEITLNGPKLLFHTETVIAVSGGTVSCTLNDAQIAQNEPIEVKRGDILSVGKVTVGCRAYLSIRGGIDVPEYLGSRSTFAMGNMGGYNGRILKLGDVLFLNQPELSVSSLPAPDFEPQAAPKSLLPTLSTNKDWKIGVTCGPHGSIDLFKEEYIEQFFNDKWKVHYNSNRFGVRLIGPKPKWARSDGGEAGLHPSNAHDYVYSLGAINFTGDEPVIITCDGPSLGGFV--CQAVVAEAELWKVGQLTPGDTIQFVPLSYGVARQLKESQDKSIDNFEEGSLLELSDDKILPKYENPILAVLPKKSDLSPKVTYRQAGDRYILVEYGELEFDLNICYRINRLIHQVERHQTVGIVEMSQGVRSVLIEFDGSKINQKALLKCLIAYESEIQFDKNWNVKSKIFKLPMAFEDSKTLDCVTRYRET--IRSEAPWLPNNVDFIADVNDIDRNDVKNMLYSAKFMVLGLGDVFLGSPCAVPLDPRHRYLGTKYNPSRTYTARGVVGIGGMYMCIYNAEGSPGGYQLVGRTITAWDKLVIGDHPIDHPWLLTPFDQVEFYPV--TEEELEVIIEDNDNGKFKIDVEESIFDHKEYLAWINENIDSIVAFQEAQGGEKADEFARLIQVANAELKKSEEYPDDAELLYSEYTGRFWKPVAAVGDHVEAGDGVIIIEAMKTEMVVGATKSGKVYKILHKNGDMVEAGDLVAVIV

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 : 3787 -182452 -48.18 -219.82 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -48.18 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.150

(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: