Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLQVKIVPVTAFAQNCSLVWDSETKEAVLIDAGGDAAVLKKEVEALGLKVKALWLTHGHLDHAGAVGELAKEWSVPVVGPHKEDQFWLDMIQEVSARYGFPIPQPVKVDQWLEGGEVLKLGEDEFEVRFAPGHTPGHVMFYNKNHGLLWTGDVLFKGSIGRTDFPRGNHEQLIESIQRECFSLPDETQFISGHGPMSTIGYEKQFNPFVAGKAG 1XM8 Chain:A ((1-169)) -MQIELVP--CLKDNYAYILHDEDTGTVGVVDPSEAEPIIDSLKRSGRNLTYILNTHHHYDHTGGNLELKDRYGAKVIG---------------SAMDKDRIPG---IDMALKDGDKWMFAGHEVHVMDTPGHTKGHISLYFPGSRAIFTGDTMFSLSCGK--LFEGTPKQMLASLQK-ITSLPDDTSIYCGH---------------------

General information: TITO was launched using: RESULT: Template: 1XM8.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 : 995 -101317 -101.83 -599.51 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -101.83 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.668

(partial model without unconserved sides chains): PDB file : Tito_1XM8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XM8-query.scw PDB file : Tito_Scwrl_1XM8.pdb: