Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVFVARQPIFNR-KEQVVAYELLYRES-EENV-Y-SA---K------DGDQATTDLVINSFLNIGIEKL--TEGKRCFVNFTESLMFSNLP----------TSFNPKQLVIEILEDI--PITPALISRCKELKKMGYMLALDDFYAINPQDEDLLEKLMSY-IDILKIDFLKTTRM--------ERRTILQTYGCRGLIFLAEKVETRKEYKQAVQDGFQLFQGYFFSEPRIISGHDLSTHFYSYYELLNELSKEQPNIKRVTEYIERDLSLSYQILKFLNSSHSRLSQKIESIQQAIMLLGFNEIKRWIYILSFKDLSRKGHSSKHEIIKISLIRAKLCELLARKTSRPQPASYMLIGMFSLIDTLLHREIEEIVQELPLKDEVGQALLGHQNDYYQMLELVKLIESNNWDTCSELGNQLDKEEAYECYLEALEWCHNLMDAK 4KIE Chain:A ((27-256)) -EFKPWIQPVFCAQTGVLTGCEVLVRWEHPQTGIIPPDQFIPLAESSGLIVIMTRQLMKQTADILMPVKHLLPDNFHIGINVSAGCFLAAGFEKECLNLVNKLGNDKIKLVLELTERNPIPVTPEARAIFDSLHQHNITFALDDFGT-GYAT---YRYLQAFPVDFIKIDKSFVQMASVDEISGHIVDNIVELARKPGLSIVAEGVETQEQADLMIGKGVHFLQGYLYSPPVPGN------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KIE.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 : 781 -22644 -28.99 -116.72 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -28.99 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_4KIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KIE-query.scw PDB file : Tito_Scwrl_4KIE.pdb: