Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIGIIGGGSVGLLCAYYL--SLYHDVTVVTRRQEQAAAIQSEGIRLYKGGEEFRADCSAD--TSINSDFDLLVVTVKQHQLQSVFSSLERIG--KTNILFLQNGMGHIHDLKDWHVGHSIYVGIVEHGAVRKSDTAVDHTGLGAIKWSAFDDAEPDRLNILFQHNHSDFPIYYETDWYRLLTGKLIVNACINPLTALLQVKNGELLTTPAYLAFMKLVFQEACRILKLENEEKAWERVQAVC----GQTKENRSSMLVDVIGGRQTEADAIIGYLLKEASLQGLDAVHLEFLYGSIKALERNTNKVF 4YCA Chain:A ((3-286)) LSVAIIGPGAVGTTIAYELQQSLPH-TTLIGRH--------AKTITYYTVPHAPAQDIVVKGYEDVTNTFDVIIIAVKTHQLDAVIPHLTYLAHEDTLIILAQNGY--LEHIPFKNVCQAV----VYISGQKKGDVV---THFRDYQLRIQDNALTRQFRDLVQDSQID--IVLEANIQQAIWYKLLVNLGINSITALGR-QTVAIMHNPEIRILCRQLLLDGCRVAQAEGLNFSEQTVDTIMTIYQGYPDEMGTSMYYDIVHQQPLEVEAIQGFIYRRAREHNLDTPYLDTIYSFLRAYQQN-----

General information: TITO was launched using: RESULT: Template: 4YCA.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 : 1438 -214480 -149.15 -788.53 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -149.15 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_4YCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YCA-query.scw PDB file : Tito_Scwrl_4YCA.pdb: