Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKVNQILEEKVMPIAGRIAGQRHLQALRDGIILTMPLIIIGSFFLIIGNLPIPGYAEFMAKTFGSSWSEKLAYPVDATFEIMGLVAAFGIAYRLAEKYGVDALSAGAISLAAFLLATPYQVPFMPDGATKE-IMVGGGIPLSLMGSKGLFVAMIIAMVSTEIYRLIIQR-NLVFKMPDGVPPAVSKSFVALIPGFAVIFLIWAARLIVEATP-FESLHNIVSVLLGTPLSILGGSLGGSLVAEAVKMLLWACGLHGANIVGGVMAPIWYGAMDANRIAFQAGEELPKIFTQQFFDIWVNIGGSGATLALVVTMFLRARSKQMKQLGKLAVGPAIFNINEPIIFGMPIVMNPMLLLPFIITPLVTVTLTYIGMSTGLVAKPA-GIAVPWTMPPIFSGYLATGGKVSGAVMQAINIAVSFVVYYPFFRMWDKQKLKEENDLELVQTPAATDDKEAAL 3QNQ Chain:A ((3-434)) -----RFLEKYVMPVAGKVAEQRHLLAIRDGLVLTMPFLIIGSIFLIISTLPIPGYSEFMASLFGKNWNVALGYPVSATFNIMALIAVFGIAYRLGEYYKVDALASGALSLVTFLLATP-FQVAYIMPGTKESILVDGVIPAALMGSQGLFVAMIIAIISTEIYRFLV-QKKMIIKMPETVPPAVTRSFAALIPGFIVVTVVWIIRLIFE-HTTFGSIHNVVGKLLQEPLSILGASLWGAVIAVILVHVLWACGIHGATIVGGVMSPIWLSLMDQNRIAFQAGQDVPNTITAQFFDLWIYMGGSGATLALVVGMLLFARSQQLKSLGRLSIAPGIFNINEMVTFGMPIVMNPLLLIPFIVVPVVLTIVSYFAMEWGLVA-RPSGAAVTWTTPILFSGYLGSGGKISGVILQLVNFALAFVIYLPFLKIWDKQKIAEEKGEA---------------

General information: TITO was launched using: RESULT: Template: 3QNQ.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 : 2158 -299508 -138.79 -699.78 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -138.79 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_3QNQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QNQ-query.scw PDB file : Tito_Scwrl_3QNQ.pdb: