Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNTSTAKHNYAPDILGAGYEQLTLNFPDDYEGKVVATLVRKKATQPTQKAVLYIHGFLDYF-FQTEMAEQFNAHGYDFYALDLRKYGRSKLPHQIFYNVLDLIEYDAEITQALEIIGQE-KHTQVLLAGHSTGGLTATLYAAHHPDHPLIKALWANSPFYDFNLSLVEKKFGIPMLSRVGKYLPKVKFPSQLNKWYTTSLHKQLKGEWDFNLDWKPTSAPTVQLSFVHAIHTAQKEIHRG-VKLNIPALIMHSHQTKNPRKWGPDATQSDVILDVKDIAKFGKKMK-GDVSVVSIHNGLHDLVLSAQPVREQVYQQLFQWLDQKVT 3PE6 Chain:A ((41-294)) ----------------------------------------------PKALIFVSHGAGEHSGRYEELARMLMGLDLLVFAHDHVGHGQSEGE-R--MVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLGHSMGGAIAILTAAERP--GHFAGMVLISPLVLANPESAT-TFKVLAAKVLNSVLPNLSSGPIDSSVLSRNK--TEVDIYNSDPLICR-AGL--KVCFGIQLLNAVSRVERALPKLTVPFLLLQGSAD--------------RLCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRT-

General information: TITO was launched using: RESULT: Template: 3PE6.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 : 1368 -37755 -27.60 -151.02 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -27.60 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_3PE6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PE6-query.scw PDB file : Tito_Scwrl_3PE6.pdb: