Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MWKRMTAKAEGLYIADTKSFVTKQMDK-LDFDYGGIPGDLHF--GLTKKAGAREPMFSRGTEIFNRRQISIVSIEECNEIALKMGVPRILPEWLGANVAVSGMPDLTSLKEGSRIIFPSGAALLCEGENDPCIQPGEVIQSYYPDQPKLASAFVRHAL--GIRGIVCI----VERPGAVYTG-----DEIEVHSYQRKVKRKAERV-- 3WG9 Chain:A ((4-217)) KTIVSMAVIRRLPRYHRYLEELLKNDVKRISSRELSEKMGVTASQIRQDLNNFGGYGYNVEELYNNLTKILGLDKTYNTIIIGAGNLGQAIAN------YTSFEKSGFNLKGIFDINPRLFGLKI---RDVEVMDVETVEDFIARNKIDIGILCIPKDNAQYTADRLVRAGIKAIWNFLPIDLKVPDDVILENVHLSDSLFTVSYRLNEEELFKKLKG

General information: TITO was launched using: RESULT: Template: 3WG9.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 : 764 4625 6.05 25.27 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 6.05 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.263

(partial model without unconserved sides chains): PDB file : Tito_3WG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WG9-query.scw PDB file : Tito_Scwrl_3WG9.pdb: