Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIGIIGGGSVGLLCAYYL--SLYHDVTVVTRRQEQAAAIQSEGIRLYKGGEEFRADCSAD--TSINSDFDLLVVTVKQHQLQSVFSSLERIG--KTNILFLQNGMGHIHDLKDWHVGHSIYVGIVEHGAVRKSDTAVDHTGLGAIKWSAFDDAEPDRLNILFQHNHSDFPIYYETDWYRLLTGKLIVNACINPLTALLQVKNGELLTTPAYLAFMKLVFQEACRILKLENEEKAWERVQAVC----GQTKENRSSMLVDVIGGRQTEADAIIGYLLKEASLQGLDAVHLEFLYGSIKALERNTNKVF 4S3M Chain:A ((3-283)) LSVAIIGPGAVGTTIAYELQQSLPH-TTLIGRH--------AKTITYYTVPHAPAQDIVVKGYEDVTNTFDVIIIAVKTHQLDAVIPHLTYLAHEDTLIILAQNGYGQLEHIPFKNVCQAV----VYISGQKKGDVV---THFRDYQLRIQDNALTRQFRDLVQDSQID--IVLEANIQQAIWYKLLVNLGINSIT-LLGRQTVAIMHNPEIRILCRQLLLDGCRVAQAEGLNFSEQTVDTIMTIYQGY------------------EVEAIQGFIYRRAREHNLDTPYLDTIYSFLRAY--------

General information: TITO was launched using: RESULT: Template: 4S3M.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 : 1306 -218059 -166.97 -861.89 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -166.97 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.469

(partial model without unconserved sides chains): PDB file : Tito_4S3M.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S3M-query.scw PDB file : Tito_Scwrl_4S3M.pdb: