Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPLIIGIDPGSRLTGYGIIEKDGS-KLRFVDAGTIRTET----------QEMPERLKRIFAGV-ERIVKFHGPTEAAVEQVFMAQNPDSA---LKLGQARGAAIAALVNL----------DLQVAEYTARQIKQSVVGYG-AADKEQVQMMVMRLLNLT----------------IKPQ-ADAADALAAAICHAHASGSMSKLTVLNALGGMARGRSRSSSRRR 1KCF Chain:B ((40-244)) -SRVLGIDLGIKNFSYCFASQNEDSKVIIHNWSVENLTEKNGLDIQWTEDFQPSSMADLSIQLFNTLHEKFNPHVILMERQRY-------EWTLRVNMLESMLYALHYAEKRNSIEQKIQYPFLLSLSPKSTYSYWASVLN-----SRVQMVKELIDGQKILFENEEALYKWNNG-EFKKDDMADSALIASGWMRWQAQ-------------------------

General information: TITO was launched using: RESULT: Template: 1KCF.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 486 -17304 -35.60 -121.86 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -35.60 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_1KCF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KCF-query.scw PDB file : Tito_Scwrl_1KCF.pdb: