Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHFTFLGTSSGVPTLSRNVSGLAVRNSKNKDWILVDAGEGTQHRIQQARLSLQNLIAICITHVHGDHCYGLVGLLASAGMNARNNPLIVIAPKEIQQWFEITAQLTDLHLPYSIKFIDVNEATRPQQLTDELFIQAHPLSHRV------------PSFAFSIYIKSTQKKIDIQALTQLGIPKGDIWGHLKRGYDVEFEGRILKSQDFIKIQNQQIHAIIGGDNDRPELLADAC-KDAQLLIHEATYLQTVLDKVGKGPMHSSAKMVAEFAEQQSLDNLILTHFSPRHQDKTGQQAIIEEVRQFYKGHFYLANDFDEFTLNETGQLLKIE 3X2Y Chain:A ((1-227)) GMKVTFLGA-----------AVVLIE---GKKNIIIDPFISGNPVCPVKLEGLPKIDYILVTHGHGDHLGDAVEIAKK-------NDATVISNYEICHYLGKKG----------VKTHAMHI-G-GSYLFDFGRVKMTPAVHGSGILDGDSMIYGGNPSGFLITI-------------------------------------------------EGKKIYHAGDTGLTREMELLAEENVDVAFLPIGG-----------NFVMDVEDAVRAAVMIKPKKVVPMHYGTWELIFADVELFKKKVEE-KGVECVILEPGESLEL----------

General information: TITO was launched using: RESULT: Template: 3X2Y.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 : 1272 -95368 -74.97 -445.64 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -74.97 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_3X2Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3X2Y-query.scw PDB file : Tito_Scwrl_3X2Y.pdb: