Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MLQKVLIANRGEIALRITRACKTLGIKTVGIYSDADKDLMHLRFVDEAVCIGPGASSDSYLNIPAIITAAEITGADAIHPGYGFLSENAEFAEIVESSGFTFIGPRPEHIRLMGNKVSAIVAMKKAGVPTVPGCDHAVTIHNALAEAKEIGFPLIVKAAAGGGGRGMRIVERVDTLLESVQAAQRDAEMWFGDDTVYMERFLQKPRHVEVQVLGDGNGHAIHLYDRDCSLQRRHQKVLEEAPAPNLPEQARADILQACVHACQLMQYRGAGTFEFLF--EDGEFFFIEMNTRVQVEHPVTEMVTGVDIIEQQLRIAAGLGLELQQEDIEVRGHAIECRINAEDPTT-FLPSPGKIESFYAPGGAGIRLDSHIYPGYSIPPYYDSMIAKLIAHGKDRETSLARMRQALDEMILTGIKTNIPLHKDLI----LQDKNFCSQAMDIHYLEKHLLKQVEEEKKAETA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ 3VA7 Chain:A ((28-1236)) KKPFETVLIANRGEIAVRIMKTLKRMGIKSVAVYSDPDKYSQHVTDADFSVALHGRTAAETYLDIDKIINAAKKTGAQAIIPGYGFLSENADFSDRCSQEN------------------------------------------------------IVFVGPSGDAIRKLGL--------------KHSAREIAERAKVP---LVPNARHVEIQMMGDGFGKAIAIGERDCSLQRRNQKVIEETPAPNLPEATRAKMRAASERLGSLLKYKCAGTVEFIYDEQRDEFYFLEVNARLQVEHPITEMVTGLDLVEWMLRIAANDSPDFDNTKIEVSGASIEARLYAENPVKDFRPSPGQLTSVSFPSWA--RVDTWVKKGTNVSAEYDPTLAKIIVHGKDRNDAIMKLNQALNETAVYGCITNIDYLRSIASSKMFKEAKVATKVLDSFDYKPCAFEVLAPGANTSVQDYPGRTGYWRIGVPPSGPMDSYSFRLANRVVGNNSKSPALEITLNGPKLLFHTETVIAVSGGTVSCTLNDAQIAQNEPIEVKRGDILSVGKVTVGCRAYLSIRGGIDVPEYLGSRSTFAMGNMGGYNGRILKLGDVLFLNQPELSVSSLPAPDFEPQAAPKSLLPTLSTNKDWKIGVTCGPHGSIDLFKEEYIEQFFNDKWKVHYNSNRFGVRLIGPKPKWARSDGGEAGLHPSNAHDYVYSLGAINFTGDEPVIITCDGPSLGGFVCQAVVAEAELWKVGQLTPGDTIQFVPLSYGVARQLKESQDKSIDNFEEGSLLELSDDKILPKYENPILAVLPKKSDLSPKVTYRQAGDRYILVEYGELEFDLNICYRINRLIHQVERHQTVGIVEMSQGVRSVLIEFDGSKINQKALLKCLIAYESEIQFDKNWNVKSKIFKLPMAFEDSKTLDCVTRYRETIRSEAPWLPNNVDFIADVNDIDRNDVKNMLYSAKFMVLGLGDVFLGSPCAVPLDPRHRYLGTKYNPSRTYTARGVVGIGGMYMCIYNAEGSPGGYQLVGRTITAWDKLVIGDHPIDHPWLLTPFDQVEFYPVTEEELEVIIEDNDNGKFKIDVEESIFDHKEYLAWINENIDSIVAFQEAQGGEKADEFARLIQVANAELKKSEEYPDDAELLYSEYTGRFWKPVAAVGDHVEAGDGVIIIEAMKTEMVVGATKSGKVYKILHKNGDMVEAGDLVAVIV

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 : 2289 62258 27.20 162.55 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 27.20 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.431

(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: