Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVEWLLRLEPWQQALAGTAFTYFMTALGAGLVFFFKEIKKEVLNLMLGFASGVMIAASFWSLLDPAITKAEENGDIAWLVVSIGFGLGGVFLYMADKTLPHMHFGPQHEAEGLPTHLKRTILLVFSITLHNIPEGLAVGVAFGAAATADNPTAAILAAVSVALGIGIQNFPEGAAVSIPLRQEGLSRKKAFVYGQASGIVEPIAGVIGALLVTKVELLLPYALAFAAGAMIYVVVEELIPEAQQTLSSKRHFAVFGVMSGFIIMMILDVALG 3UG4 Chain:B ((415-455)) --------------------------------------------------------------------------------------------------------------------------------------------------------AASISEDGKKLFIAVVNYRKEDALKVPIRVEGLGQKKATVY-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3UG4.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 : 54 -15513 -287.27 -378.35 target 2D structure prediction score : 0.32 Monomeric hydrophicity matching model chain B : 0.44 3D Compatibility (PKB) : -287.27 2D Compatibility (Sec. Struct. Predict.) : 0.32 1D Compatibility (Hydrophobicity) : 0.44 QMean score : 0.301

(partial model without unconserved sides chains): PDB file : Tito_3UG4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UG4-query.scw PDB file : Tito_Scwrl_3UG4.pdb: