Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIYVVYDSEGEHTKVLAEAIAEGARENDAAEVFIDHVDQ------------------------ADIRKLKDMDAIIWGCPGHFGTISSGLKTWIDRLGYLWAEGELINKVGAVFCTTATTHGGLEMTMHNLITPMFHQGMIVVGLPGNVP-----ENALYGSYYGAGVTCPVDSDELMSEEGIQLGRALGRRVSQVTGNLTAGQ 4LA4 Chain:A ((4-203)) -KIQIVFYSSYGHIYKMAEAIAAGAREVGDVEVTLLQVPELMPEEVQVKSGIKGYRAAFGSIPYATPEVLAEADAIIFGTPTRFGNMCSQMRNFLDQTGGLWMSGGLIGKVGSVFTSTASQHGGQETTITSFHTTLLHHGMVIVGVPYSEPGLTNMTEISGGTPYGASTLAGADGSRQPSENELQIARFQGKHVATIAKRL----

General information: TITO was launched using: RESULT: Template: 4LA4.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 : 980 -119806 -122.25 -700.62 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -122.25 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_4LA4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LA4-query.scw PDB file : Tito_Scwrl_4LA4.pdb: