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 4DTB Chain:A ((31-296)) --------------------------GNDCIAYEI-NRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGYTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLD------FREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHK--DIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIR-------

General information: TITO was launched using: RESULT: Template: 4DTB.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 : 1085 -2888 -2.66 -11.69 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -2.66 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.332

(partial model without unconserved sides chains): PDB file : Tito_4DTB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dtb-query.scw PDB file : Tito_Scwrl_4DTB.pdb: