Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKKLAIASALLSALAVSGAANAYQAEVGGSYNYLDPDNGSSVSKFGVDGTYYFNPVQTRNAPLAEAAFLNRASN-VNAHVNYGDNSGTKDTQYGVGVEYFVPNSDFYLSGDVGRNEREIDNTNIDSKVTTYAAEVGYLPAPGLLLALGVKGYDEKDG--KDGADPTVRAKYVTQVGQHDVNLEAY-------GAFGDLDEYKVRGDYYIDKTLSLGVDY--YNNDLTDKDEFGINAKKFLNQQVSVEGRVGFGDNDNTYGVRAAYRF----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4W8J Chain:A ((33-1178)) YTPIDISLSLTQFLLSEFVPGAGFVLGLVDIIWGIFGPSQWDAFLVQIEQLINQRIEEFARNQAISRLEGLSNLYQIYAESFREWEADPTNPALREEMRIQFNDMNSALTTAIPLLAVQNYQVPLLSVYVQAANLHLSVLRDVSVFGQRWGFDAATINSRYNDLTRLIGNYTDYAVRWYNTGLERVWGPDSRDWVRYNQFRRELTLTVLDIVALFPNYDSRRYPIRTVSQLTREIYTNPVLENFDGSFRGSAQGIERSIRSPHLMDILNSITIYTDAHRGYYYWSGHQIMASPVGFSGPEFTFPLYGTMGNAAPQQRIVAQLGQGVYRTLSSTLYRRPFNQQLSVLDGTEFAYGTSSNLPSAVYRKSGTVDSLDEIPPQNNNVPPRQGFSHRLSHVSMFRSGFVSIIRAPMFSWIHRSAEVNNIIASDSITQIPAVKGNFLFNGSVISGPGFTGGDLVRLNSSNIQNRGYIEVPIHFPSTSTRYRVRVRYASVTPIHLNVNWGNSSIFSNTVPATATSLDNLQSSDFGYFESANAFTGNIVGVRNF------SGTAGVIID-RFEFIPV---TATLEAEYNLERAQKAVNALFTSTNQLGLKTNVTDYHIDQVSNLVT-YLSDEFSLDEKRELSEKVKH-AKRLSDERNLLQDSNFKDINRERGWGGSTGITIQGGDDVFKENYVTLSGTFDESYPTYLYQKIDESKLKAFTRYQLRG--YIEDSQDLEIYLIRYNAKHETVNVPGTGSSAHHSHHFSLDIDVGSTDLNEDLGVWVIFKIKTQDGHARLGNLEFLEEKPLVGEALARVKRAEKKWRDKREKLEWETNIVYKEAKESVDALFVNSQYDQLQADTNIAMIHAADKRVHSIREAYLPELSVIPGVNAAIFEELEGRIFTAFSLYDARNVIKNGDFNNGLSSWNVKGHVDVEEQNNQRSVLVVPEWEAEVSQEVRVSPGRGYILRVTAYKEGYGEGSVTIHEIENNTDELKFSNPVGYVTKELEYFPETDKVWIEIGETEGTFIVDSVELLLMEE

General information: TITO was launched using: RESULT: Template: 4W8J.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 : 1002 66478 66.34 275.84 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 66.34 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.097

(partial model without unconserved sides chains): PDB file : Tito_4W8J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4W8J-query.scw PDB file : Tito_Scwrl_4W8J.pdb: