Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINCGAKMLIQRGGLKVVAGLGISGVSAVNFLHEQGYQVAVTDSRPTPPGHDQIPAGVKTSFGQLDQELLLQAEEIILSPGLAPQLPEIQAAIAKGISVVGDIQLLRRATDVPI-VAITGSNAKSTVTTLIGLMAKDAG-KKVAVGGNLGRPALDLLKDQPELLVLELSSFQLETTSHLNAEVAVVLNMSEDHLDRHGNM----LGYHQAKHRI-FQGAKKVVFNRDDALSRPLVPDTTPMQSFGLNAPDLNQYGVLRDADGTL--WLARGLQ---RLIKSSD------LYIQGMHNVANALACLALGEAIGLPMESMLETLKQFKGLEHRC----EYVKTVHDVRYYND--SKGTNVGATL-AAIDGLGAAIEVKKGKVALILGGQGKGQDFSPLRSSIEKYAKVVVLIGEDAPVIEQAIQGATKILHAATLKEAVELCQRETQAEDVVLLSPACASFDMFKSYNDRGQQFVACVNSLV 1GQY Chain:A ((26-365)) -----------------IGGAGMSGIAEI--LLNEGYQISGSDIADGVVTQRLAQAGAKIYIGHA-EEHIEGASVVVVSSAIKDDNPELVTSKQKRIPVIQRAQMLAEIMRFRHGIAVAGTHGKTTTTAMISMIYTQAKLDPTFVNGGLVKSAGKNAHLGASRYLIAEADESDASFLHLQPMVSVVTNMEPD------DFEKMKATYVKFLHNLPFYGL--AVMCADDPVLMELVPKV---------GRQVITYGFSEQADYRIEDYEQTGFQGHYTVICPNNERINVLLNVPGKHNALNATAALAVAKEEGIANEAILEALADFQGAGRRFDQLGEFIRPNGKVRLVDDYGHHPTEVGVTIKAAREGWG--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1GQY.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 : 1678 -14261 -8.50 -46.30 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -8.50 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_1GQY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GQY-query.scw PDB file : Tito_Scwrl_1GQY.pdb: