Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MFRKILIANRGEIAVRIIRAARELGIATVAVYSTADKEALHTLLADEAVCIGPGKATESYLNINAVLSAAVLTEAEAIHPGFGFLSENSKFATMCEEVGIKFIGPSGHVMDMMGDKINARAQMIKAGVPVIPGSDGEVHNSEEALIVAEKIGYPVMLKASAGGGGKGIRKVEKPDDLVSAFETASSEAKANYGNGAMYIERVIYPARHIEVQILGDEHGHVIHLGERDCSLQRNNQKVLEESPSIAIGKTLRHEIGAAAVRAAEFVGYENAGTIEFLLDEASRNFYFMEMNTRVQVEHPVTEFVSGVDIVKEQICIAAGQPLSVKQEDIVLRGHAIECRINAENPAFNFAPSPGKITNLYLPSGGVGLRVDSAVYPGYTIPPYYDSMIAKIIVHGENRFDALMKMQRALYELEIEGVQTNADFQLDLISDRNVIAGDYDTSFLMETFLPKYQEKE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3VA7 Chain:A ((28-1236)) KKPFETVLIANRGEIAVRIMKTLKRMGIKSVAVYSDPDKYSQHVTDADFSVALHGRTAAETYLDIDKIINAAKKTGAQAIIPGYGFLSENADFSDRCSQEN-------------------------------------------------------IVFVGPSGDAIRKLGLKHSAREIAER-------------AKVPLVPN----ARHVEIQMMGDGFGKAIAIGERDCSLQRRNQKVIEETPAPNLPEATRAKMRAASERLGSLLKYKCAGTVEFIYDEQRDEFYFLEVNARLQVEHPITEMVTGLDLVEWMLRIAANDSPDFDNTKIEVSGASIEARLYAENPVKDFRPSPGQLTSVSFPSW---ARVDTWVKKGTNVSAEYDPTLAKIIVHGKDRNDAIMKLNQALNETAVYGCITNIDYLRSIASSKMFKEAKVATKVLDS-----FDYKPCAFEVLAPGANTSVQDYPGRTGYWRIGVPPSGPMDSYSFRLANRVVGNNSKSPALEITLNGPKLLFHTETVIAVSGGTVSCTLNDAQIAQNEPIEVKRGDILSVGKVTVGCRAYLSIRGGIDVPEYLGSRSTFAMGNMGGYNGRILKLGDVLFLNQPELSVSSLPAPDFEPQAAPKSLLPTLSTNKDWKIGVTCGPHGSIDLFKEEYIEQFFNDKWKVHYNSNRFGVRLIGPKPKWARSDGGEAGLHPSNAHDYVYSLGAINFTGDEPVIITCDGPSLGGFVCQAVVAEAELWKVGQLTPGDTIQFVPLSYGVARQLKESQDKSIDNFEEGSLLELSDDKILPKYENPILAVLPKKSDLSPKVTYRQAGDRYILVEYGELEFDLNICYRINRLIHQVERHQTVGIVEMSQGVRSVLIEFDGSKINQKALLKCLIAYESEIQFDKNWNVKSKIFKLPMAFEDSKTLDCVTRYRETIRSEAPWLPNNVDFIADVNDIDRNDVKNMLYSAKFMVLGLGDVFLGSPCAVPLDPRHRYLGTKYNPSRTYTARGVVGIGGMYMCIYNAEGSPGGYQLVGRTITAWDKLVIGDHPIDHPWLLTPFDQVEFYPVTEEELEVIIEDNDNGKFKIDVEESIFDHKEYLAWINENIDSIVAFQEAQGGEKADEFARLIQVANAELKKSEEYPDDAELLYSEYTGRFWKPVAAVGDHVEAGDGVIIIEAMKTEMVVGATKSGKVYKILHKNGDMVEAGDLVAVIV

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 : 2273 47384 20.85 126.36 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 20.85 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.433

(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: