Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIIRIETSRIAVPLTKPFKTALRTVYTAESVIVRITYDSGAVGWGEAPPTLVITGDSMDSIESAIHHVLKPALLGKSLAGYEAILHDIQHLLTGNMSAKAAVEMALYDGWAQMCGLPLYQMLGGYRDTLETDYTVSVNSPEEMAADAENYLKQGFQTLKIKVGKDDIATDIARIQEIRKRVGSAVKLRLDANQGWRPKEAVTAIRKMEDAGLGIELVEQPVHKDDLAGLKKVTDATDTPIMADESVFTPRQAFEVLQTRSADLINIKLMKAGGISGAEKINAMAEACGVECMVGSMIETKLGITAAAHFAASKRNITRFDFDAPLMLKTDVFNGGITYSGSTISMPGKPGLGIIGAALLKGEKEQ 1TKK Chain:G ((1-359)) MKIIRIETSRIAVPLTKPFKTALRTVYTAESVIVRITYDSGAVGWGEAPPTLVITGDSMDSIESAIHHVLKPALLGKSLAGYEAILHDIQHLLTGNMSAKAAVEMALYDGWAQMCGLPLYQMLGGYRDTLETDYTVSVNSPEEMAADAENYLKQGFQTLKIKVGKDDIATDIARIQEIRKRVGSAVKLRLDANQGWRPKEAVTAIRKMEDAGLGIELVEQPVHKDDLAGLKKVTDATDTPIMADESVFTPRQAFEVLQTRSADLINIKLMKAGGISGAEKINAMAEACGVECMVGSMIETKLGITAAAHFAASKRNITRFDFDAPLMLKTDVFNGGITYSGSTISMPGKPGLGIIGAAL-------

General information: TITO was launched using: RESULT: Template: 1TKK.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 2293 -172065 -75.04 -479.29 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain G : 1.00 3D Compatibility (PKB) : -75.04 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 1.00 QMean score : 0.735

(partial model without unconserved sides chains): PDB file : Tito_1TKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1TKK-query.scw PDB file : Tito_Scwrl_1TKK.pdb: