Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAVTYQGIKNVVVKDVPDPKIEKSDDMIIKVTSTAICGSDLHLIHGFIPNMQEDYVIGHEPMGIVEEVGSGVTKLKKGDRVIIPFNIACGECFFCKNQLESQCDQSNDNGEMGAYFGYSGQTGGYPGGQAEYLRVPFANFTHFKIPESCEEPDEKLSVIADAMTTGFWSVDNAGVKKGDTVIVLGCGPVGLFAQKFCWLKGAKRVIAVDYVNYRLQHAKRTNKVEIVNFEDHENTGNYLKEITKGGADVVIDAVGMDGKMSDLEFLASGLKLHGGTMSALVIASQAVRKGGTIQITGVYGGRYNGFPLGDIMQRNVNIRSGQAPVIHYMPYMFELVSTGKIDPGDVVSHVLPLSEAKHGYDIFDSKMDDCIKVVLKP 4CPD Chain:C ((1-343)) MRAVVFENKERVAVKEVNAPRLQHPLDALVRVHLAGICGSDLHLYHGKIPVLPGS-VLGHEFVGQVEAVGEGI-DLQPGDWVVGPFHIACGTCPYCRRHQYNLC-------ERGGVYGYGPMFGNLQGAQAEILRVPFSNVNLRKLPPNLS--PERAIFAGDILSTAYGGLIQGQLRPGDSVAVIGAGPVGLMAIEVAQVLGASKILAIDRIPERLERAASLGAIPI-NAEQENPVRRVRSETNDEGPDLVLEAVGGAATLS--------------------LALEMVRPGGRVSAVGVDNAPSFPFPLASGLVKDLTFRIGLANVHLYIDAVLALLASGRLQPERIVSHYLPLEEAPRGYELFDRK--EALKVLL--

General information: TITO was launched using: RESULT: Template: 4CPD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2176 -245827 -112.97 -718.79 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain C : 0.78 3D Compatibility (PKB) : -112.97 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_4CPD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CPD-query.scw PDB file : Tito_Scwrl_4CPD.pdb: