Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVEWLLRLEPWQQALAGTAFTYFMTALGAGLVFFFKEIKKEVLNLMLGFASGVMIAASFWSLLDPAITKAEENGDIAWLVVSIGFGLGGVFLYMADKTLPHMHFGPQHEAEGLPTHLKRTILLVFSITLHNIPEGLAVGVAFGAAATADNPTAAILAAVSVALGIGIQNFPEGAAVSIPLRQEGLSRKKAFVYGQASGIVEPIAGVIGALLVTKVELLLPYALAFAAGAMIYVVVEELIPEAQQTLSSKRHFAVFGVMSGFIIMMILDVALG 3UG5 Chain:A ((415-455)) --------------------------------------------------------------------------------------------------------------------------------------------------------AASISEDGKKLFIAVVNYRKEDALKVPIRVEGLGQKKATVY-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3UG5.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 : 54 -14939 -276.65 -364.37 target 2D structure prediction score : 0.29 Monomeric hydrophicity matching model chain A : 0.44 3D Compatibility (PKB) : -276.65 2D Compatibility (Sec. Struct. Predict.) : 0.29 1D Compatibility (Hydrophobicity) : 0.44 QMean score : 0.307

(partial model without unconserved sides chains): PDB file : Tito_3UG5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UG5-query.scw PDB file : Tito_Scwrl_3UG5.pdb: