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

General information: TITO was launched using: RESULT: Template: 4LAF.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 : 983 -118234 -120.28 -691.42 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -120.28 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.436

(partial model without unconserved sides chains): PDB file : Tito_4LAF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LAF-query.scw PDB file : Tito_Scwrl_4LAF.pdb: