Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRKGNLSMTTQLQHLTLPEDIQQKLLSYKEQPISPEFQSLIGTSGYEAEDEAILFDAIIALAMGKNVLLKGPTGSGKTKLAETLSSYFHKPMHSVNCSVDLDAEALVGYKTIENQSGQATIEFVSGPVTKAMKEGHFLYIDEINMAKPETLPILNGVLDYRKMMTNPFTGEVIRAKSGFGVIAAINEGYVGTVPLNEALKNRFVIIDVPYIKGELLKQVLMSQSALKDEKLIDRFITLSSDLIVQANNGQVSEEAASIRALIDTCDLAAY-IPPRRAIERGIVEKLD-DDREKAAVRNIAETLFE 5C3C Chain:A ((27-281)) --------------------------------------------EPYYRAVQDEIELYRAGYEARIPMMLKGPTGCGKSRFVEHMAWKLNRPLITIACNEDMTASDLVGR---------------DGPLTVAARIGAICYLDEIVEARQDTIVVIHPLTDHRRVLPLEKKGELVEAHPDFQIVISYNP------DLKQSTKQRFGALDFDYPKPDIEAEIVSHEA-GVDKDTAEKLVQIAQKARN----------GLSTRLLVYAGKLIAKGVDARAACTMTLVNPITDDVDMRDALDTVVKTFF-

General information: TITO was launched using: RESULT: Template: 5C3C.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 : 1123 -127808 -113.81 -563.03 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -113.81 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.582

(partial model without unconserved sides chains): PDB file : Tito_5C3C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5C3C-query.scw PDB file : Tito_Scwrl_5C3C.pdb: