Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPATQDAAAAEEESPVVCTAKKYIFDLHSYAWKESDCLIRIPRPHKGMGHGGMRVCYAVEDVDEEGAGTPMVAKMFRRNISDVVEKD-YFNEGAAQCMCEEFANNFNRIHLTNIHKP--NISFLQCYVVRIPRDSIPVASQKKRTGFFSYKTQDTGEVMFVMEPMLSGKFTKYNSNYGETYREDKKAALTSSEAKRRTEVFEAAEAFSHFTLVESGGSMLVCDLQGVNDFLTDPQIHTEDGKGLGMGNMGQEGIDKWIEKHECNEICRALGLQPLLGAVPSSTACAKEENLNLGLRAQLQSQNPVRLRDLVPLTKPLEEMTEAERIEYALKVSRLTD 3LLA Chain:A ((105-275)) --------------------------------------------------------------------GTKFVLKLYKKE--QQASRELYFEDVKMQMVCRDWGNKFNQ------KKPPKKIEFLMSWVVEL-IDRSPSSNGQ--------------PILCSIEPLLVGEFKKNNSNYG--------AVLTN----RST-----PQAFSHFTYELSNKQMIVVDIQGVDDLYTDPQIHTPDGKGFGLGNLGKAGINKFITTHKCNAVCALLDLDVKL-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3LLA.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 : 763 11965 15.68 72.08 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 15.68 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_3LLA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LLA-query.scw PDB file : Tito_Scwrl_3LLA.pdb: