Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLTLKKAHAAKIKKGYPLIEKEALAGSAGHMKEGDLVDIVSESGGEFLARGYYGLQNKGVGWTLTRNKHEQIDQAFFLSKLTKAAQARAKLFEAQDTTAFRLFNGEGDGVGGVTIDYYDGYLLIQWYSKGIYTFKDMLISALDEMDLDYKAIYEKKRFDTAGQY-VEDDDFVKGRRGEFPIIIQENGIQYAVDLNEGAMTGIFLDQRHVRKAIRDRYAKGKTVLNTFSYTGAFSVAAALGGAEKTTSVDVANRSLAKTIEQFSVNKLDYEAHDIKVMDVFNYFSYAAKKDLRFDLIILDPPSFARTKKRTFSAAKDYKNLLKETIAITADKGVIVASTNSSAFGMKKFKGFIDAAFKETNERYTIIEEFTLPEDFKTISAFPEGNYLKVVLLQKK 2CWW Chain:A ((1-382)) MR-IQVNAKGAARLLSRHLWVFRRDVVSG---PETPGLYPVYW--GRRFLALALYNPHTDLAVRAYRFAP-AEDPVAALLENLAQALARREAVLRQDPEGGYRLVHAEGDLLPGLVVDYYAGHAVVQATAHAWEGLLPQVAEALRPH---VQSVLAKNDARTRELEGLPLYVRPLLGEVPERVQVQEGRVRYLVDL------GAYLDQRENRLYMERF--RGERALDVFSYAGGFALHLA-LGFREVVAVDSSAEALRRAEENARLNGLG--NVRVLEANAFDLLRRLEKEGERFDLVVLDPPAFAKGKKDVERAYRAYKEVNLRAIKLLKEGGILATASCSHHMTEPLFYAMVAEAAQDAHRLLRVVEKRGQPFDHPVLLNHPETHYLKFAVFQVL

General information: TITO was launched using: RESULT: Template: 2CWW.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 : 2161 -99845 -46.20 -266.25 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -46.20 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_2CWW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CWW-query.scw PDB file : Tito_Scwrl_2CWW.pdb: