Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPATQDAAAAEEESPVVCTAKKYIFDLHSYAWKESDCLIRIPRPHKGMGHGGMRVCYAVEDVDE--------------------------------EGAGTPMVAKMFRRNISD-VVEKDYFNEGAAQCMCEEFANNFNRIHLTNIHKPNISFLQCYVVRIPRDSIPVASQKKRTGFFSYKTQDTGEVMFVMEPMLSGKFTKYNSNYGETYREDKKAALTSSEAKRRTEVFEAAEAFSHFTLVESGGSMLVCDLQGVNDFLTDPQIHTEDGKGLGMGNMGQEGIDKWIEKHECNEICRALGLQPLLGAVPSSTACAKEENLNLGLRAQLQSQNPVRLRDLVPLTKPLEEMTEAERIEYALKVSRLTD 3PDT Chain:A ((22-273)) ----------------TGEMGILWEFDPIINKWIRLS--MKLKVERKPFAEGALREAYHTVSLGVGTDENYPLGTTKLFPPIEMISPISKNNEAMTQLKNGTKFVLKLYKKE--QQASRELYFEDVKMQMVCRDWGNKFNQKKPP----KKIEFLMSWVVELIDRSPS---------------SNGQPILCSIEPLLVGEFKKNNSNYGAVLTN-----------------RSTPQAFSHFTYELSNKQMIVVDIQGVDDLYTDPQIHTPDGKGFGLGNLGKAGINKFITTHKCNAVCALLDLDV---------------------------------------------------------------

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 : 1023 20222 19.77 93.62 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 19.77 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.480

(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: