Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLTLKKAHAAKIKKGYPLIEKEALAGSAGHMKEGDLVDIVSESGGEFLARGYYGLQNKGVGWTLTRNKHEQIDQAFFLSKLTKAAQARAKLFEAQDTTAFRLFNGEGDGVGGVTIDYYDGYLLIQWYSKGIYTFKDMLISALDEMDLDYKAIYEKKRFDTAGQYVEDDD-FVKGRRGEFP--IIIQENGIQYAVDLNEGAMTGIFLDQRHVRKAIRDRYAKGKTVLNTFSYTGAFSVAAALGGAEKTTSVDVANRSLAKTIEQFSVNKLDYEAHDIKVMDV--FNYFSYAAKKDLRFDLIILDPPSFARTKKRTFSAAKDYKNLLKETIAITADKGVIVASTNSSAFGMKKFKGFIDAAFKETNERYTIIEEFTLPEDFKTISAFPEGNYLKVVLLQKK 1WXW Chain:A ((70-380)) ----------------------------------------------------------------------------AALLENLAQALARREAVLRQDPEGGYRLVHAEGDLLPGLVVDYYAGHAVVQATA---HAWEGLLPQVAEALRPHVQSVLAKN--DARTRELEGLPLYVRPLLGEVPERVQVQEGRVRYLVDLRA-----AYLDQRENR-LYMERF-RGERALDVFSYAGGFALHLALGFRE-VVAVDSSAEALRRAEENARLNGLG----NVRVLEANAFDLLRRLEKEGERFDLVVLDPPAFAKGKKDVERAYRAYKEVNLRAIKLLKEGGILATASCSHHMTEPLFYAMVAEAAQDAHRLLRVVEKRGQPFDHPVLLNHPETHYLKFAVFQ--

General information: TITO was launched using: RESULT: Template: 1WXW.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 : 1591 -10580 -6.65 -35.15 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -6.65 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_1WXW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WXW-query.scw PDB file : Tito_Scwrl_1WXW.pdb: