Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHSFSRFFGLGEKEQEPEIAEHDTNKEEILEIPVNAIVPNRFQPRTIFSDEKIKELAMTIHTHGIIQPIVVRHTEEEGQYELIAGERRWRAVQSLEWEKIPAIIKDFSDTETASVALIENLQREELSSIEEAHAYARLLELHDLTQEALAQRLGKGQSTIANKLRLLKLPQPVQEAIMEKKITERHARALIPLKQPELQVTLLTEIIEKSLNVKQTEDRVVKMLEQGQRKPKPRRKAFSRDTRIAMNTIRQSLSMVEDSGVKLNTEEEEFEEYIQLTIRIPK 4UMK Chain:B ((45-219)) -----------------------------------------PYQPRKVFSEDSLEELAQSIKEHGLLQPVLV--VSENGRYHLIAGERRLRASKLAKMPTIKAIVVDIEQEKMREVALIENIQREDLNPLELARSYKELLESYQMTQEELSKIVKKSRAHVANIMRLLTLSSKVQNALLEEKITSGHAKVLVGL-DGEKQELILNSIIGQKLSVRQTED----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4UMK.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 : 547 -27586 -50.43 -157.63 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -50.43 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.414

(partial model without unconserved sides chains): PDB file : Tito_4UMK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UMK-query.scw PDB file : Tito_Scwrl_4UMK.pdb: