Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEP-GEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVR-----RLPGVPLIAVPTPQRAALTRSVALA-VGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQR-------DDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVS--PDAVTGVIDWNDAAITDPAYDFGLLLRD---LGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG 4DTA Chain:A ((31-296)) --------------------------GNDCIAYEI-NRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGMTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLD------FREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHK--DIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIR-------

General information: TITO was launched using: RESULT: Template: 4DTA.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 : 1104 -1597 -1.45 -6.47 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -1.45 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.338

(partial model without unconserved sides chains): PDB file : Tito_4DTA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dta-query.scw PDB file : Tito_Scwrl_4DTA.pdb: