Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRKWNNIKEKKASKDANTSRIYAKFGREIYVAAKQGEPDPESNQALKVVLERAKTYSVPKNIIERAIEKAKGGAEENYDELRYEGFGPNGSMIIVDALTNNVNRTAPEVRAAFGKNGGNMGVSGSVAYMFDATAVIGVEGKTADEALEILMEADVDVRDILEEDDSAIVYAEPDQFHAVQEAFKN----AGVEEFTVAELTMLAQSE----VTLP--DDAKEQFEKLIDALEDLEDVQQVYHNVDLGE 2LQJ Chain:A ((150-228)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------QVRVICRPKAETYVRAHIVQRTSSNDITL-RGIRTGPAGDDNITLTAHLLMVGHTPAKLERLVAELSLQPGVYAVHWYAG---

General information: TITO was launched using: RESULT: Template: 2LQJ.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 : 235 -41924 -178.40 -607.59 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -178.40 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_2LQJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2LQJ-query.scw PDB file : Tito_Scwrl_2LQJ.pdb: