Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPATQDAAAAEEESPVVCTAKKYIFDLHSYAWKESDCLIRIPRPHKGMGHGGMRVCYAVEDVDEEGAGTPMVAKMFRRNISDVVEKD-YFNEGAAQCMCEEFANNFNRIHLTNIHKP--NISFLQCYVVRIPRDSIPVASQKKRTGFFSYKTQDTGEVMFVMEPMLSGKFTKYNSNYGETYREDKKAALTSSEAKRRTEVFEAAEAFSHFTLVESGGSMLVCDLQGVNDFLTDPQIHTEDGKGLGMGNMGQEGIDKWIEKHECNEICRALGLQPLLGAVPSSTACAKEENLNLGLRAQLQSQNPVRLRDLVPLTKPLEEMTEAERIEYALKVSRLTD 3PDT Chain:A ((105-271)) --------------------------------------------------------------------GTKFVLKLYKKE--QQASRELYFEDVKMQMVCRDWGNKFNQ------KKPPKKIEFLMSWVVEL-IDRSPSSNGQ--------------PILCSIEPLLVGEFKKNNSNYG--------AVLTN----RST-----PQAFSHFTYELSNKQMIVVDIQGVDDLYTDPQIHTPDGKGFGLGNLGKAGINKFITTHKCNAVCALLDL-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PDT.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 : 738 8733 11.83 53.90 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 11.83 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_3PDT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PDT-query.scw PDB file : Tito_Scwrl_3PDT.pdb: