Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKKRITFGLLVLMVCVILFVLYVQLRNKDSIPVQSSAIHPEEDRIFFIYSNPFIKESVLLSTSTGERFNRRTFKVADVPYIQTKSYASTDLVLLAEHEPFYYTLEKDVIKEHPLSDPFAFWYEGKDVTIEAYNVDTTGNEIHINDRKTKKEY-TLTLPPLVTMGASDENFIYIIQSM-SIYVIDRKTEEMIETLSLASY------ADQFADSEEFIVASS--DHKLTVIEKGTWKT-TYIAYPED-----------LEYADTVYYDKESGSFYVAYEDKEGGANLLEYGEDFSIHTYSLKFPYMEAKFKGNLLYIVAQEEHKKGIGGYVGVFDIHSKEMLYQFDLPEEQVKVQDFVVVDNK 3MBR Chain:X ((85-233)) -------------------------------------------------------------------------------------------------------------------------------------------HEGFVYDLATLTPRARFRYPGEGWALTSDDSHLYMSDGTAVIRKLDPDTLQQVGSIKVTAGGRPLDNLNELEWVNGELLANVWLTSRIARIDPASGKVVAWIDLQALVPDADALTDSTNDVLNGIAFDAEHDRLFVTGKRW---PMLYEIRL-----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3MBR.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 535 -63309 -118.33 -498.50 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain X : 0.55 3D Compatibility (PKB) : -118.33 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_3MBR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MBR-query.scw PDB file : Tito_Scwrl_3MBR.pdb: