Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEP-GEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVV-----VRRLPGVPLIAVPTPQRAALTRSVALA-VGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQR-------DDVRRFLGRPAPRPAGRHVLSHNDLGIEHILV--SPDAVTGVIDWNDAAITDPAYDFGLL---LRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG 4DFU Chain:A ((52-317)) --------------------------GNDCIAYEIN-RDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLD------FREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHK--DIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIR-------

General information: TITO was launched using: RESULT: Template: 4DFU.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 : 1099 4961 4.51 20.09 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 4.51 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.323

(partial model without unconserved sides chains): PDB file : Tito_4DFU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dfu-query.scw PDB file : Tito_Scwrl_4DFU.pdb: