Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQVFLSTTTEFKEIDTLEPGTWINLVNPTQNESLEIANTFDIDIADLRAPLDAEEMSRITIEDEYTLIIVDVPVTEERNNRTYYVTIPLGIIITEETIITTCLEPLPVLDVFINRRLRNFYTFMRSRFIFQILYRNAELYLTA-LRSIDRKSEQI----------ESQLHQSTRNEELIE-LMELEKTIVYFKASLKTNERVIKKLTSSTSNIKKYL-----EDEDLLEDTLIETQQAIEMADIYGNVLHSMTETFASIISNNQNNIMKTLALVTIVMSIPTMVFSAYGMNFKDNEIPLNGEPNAFWLIVFIAFAMSVSLTLYLIHKKWF 4EGW Chain:A ((52-272)) ----------------------WIDCYDPKDEELYKLSKKIGISVSDLQIGLDEQEIPRVEEDEDFYLIIYKAPLFEED-----ITTTSLGIYIKNNLLLTIHSDKIKAIG-----RLHKLISTKKPRIVFE---RGIGFLLYHILNEITRSYSRILMNLEDELEELEDKLLAGYDREVMEKILGLRKTLVYFHKSLIANRDVLVLLK------RKYLPITTKEDRENFEDLYYDTLQLIDMSATYREVLTSMMDITLSLEN---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4EGW.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 : 912 -50960 -55.88 -249.80 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -55.88 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_4EGW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EGW-query.scw PDB file : Tito_Scwrl_4EGW.pdb: