Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEANDQTQNIPAISFRSVRKSYKQDGQTYDVLQDVTGDIQQGAIVAVLGPSGSGKSTLLSMCNLMRTPDSGEVNIYGKEV--REWNVNELRRTAALAFQSAP--VLDGTV-RD------NLSLVQRLHQSQLYSPEKLASLAGLPPELLDRSARDLSGGQRQRLSLARTLSNPSSILLLDEITSALDPVSALEIEELIKRQHQEKKWTVMWVTHNMEQAKRIADTIWFMADGRLLEIAETDTFFSAPQHEAAKEFLKGGTR 4MKI Chain:B ((27-226)) -------------------------------LKDINFSIDDEEFVGIIGHTGSGKSTLIQQLNGLLKPSKGKIYINGIDITDKKVSLKDIRKQVGLVFQYPEYQLFEETVFKDIAFGPSNLGLSEEEVKERVYEA---MEIVGISKELADKSPFELSGGQKRRVAIAGILAMRPKILILDEPTAGLDPKGKQEILNKIKEIHDKYKMITILVSHNMEDIARIADKIIVMNRGKI---------------------------

General information: TITO was launched using: RESULT: Template: 4MKI.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 : 822 -100697 -122.50 -532.79 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -122.50 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_4MKI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MKI-query.scw PDB file : Tito_Scwrl_4MKI.pdb: