Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKLAVCLSIVLLLLGAASPISAHTVYPVNPNAQQTTKDIMNWLAHLPNRSENRVMSGAFGGYSDVT-------FSMTEENRLKNATGQSPAIYGCDYGRGWLET--ADITD---TIDYCCNSSLISYWKSGGLPQVSLHLANPAFPSGNYKTAISNSQYKNILDPSTVEGKRLEALLSKIADGLTQLKNQ----GVTVLFRPLHEMNGEWFWWGLTGYNQKDNERISLYKELYKKIYRYMTETRGLDNLLWVYSPDANR----DFKTDFYPGSSYVDITGLDAYFTDPY---------AISGYDEML----SLKKPFAFAETGPSGN------IGSFDYAAFINAIRQKYP---QTTYFLTWDEQL------SPAA------------NQGAQSLYQNSWTLNKGEIWNGGSLTPIAE 4YN5 Chain:A ((46-426)) -----------------------GQSFKLVDSNASTLTKSLYAYLQDTS---GRQILFGHQHAVDEGLTLTNSGDRVGSTQSEVKNAVGDYPAIFGWDTLSLDGYEKPGNEKNSQAQNRANVVQSMRTVHELGGIIALSMHPENFVT--GNQYNDTSGDVVKNI-LPDGSHHEVFNAWLDNIAAFAHELTDQSTGELIPVIFRPFHEQNGGWFWWGAQTT------TASEYKALYRYTVDYLRDVKGVNNFLYAFSPNAPFDGNLTQYLRTYPGDQYVDIFGLDQYDNKANAGQATFLNGLTQDLAMISKLADEKGKIAAFTEYGYSPQGFNETGNYLQWYTAVLEAIK-KDPNASRIAYMQTWANFGYPTNMFVPYRDVNGNLGGDHELLPNFVEFYEDDYAAFLTEASGWNLYQD---

General information: TITO was launched using: RESULT: Template: 4YN5.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 : 1825 -135204 -74.08 -421.20 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -74.08 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_4YN5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YN5-query.scw PDB file : Tito_Scwrl_4YN5.pdb: