Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVNGIHHVSALTADAQKNLDFYKKVLGLKLVKKSVNQDEP-TMYHLFYGDEVANPGTELTFFEIPRIAP-----FHAGTNSISSIGLRVPGTEALHYWKERFEEQQVTHSG-ISKRAGRDILAFQDHEGQRLVLTADEEGKGYGLPVK--QS----GIPEEFSFRGLGPVELTVP--YAEPTLHVLTNILGFTEISREPVE-G-QG-TAVILESGEGGAATEIHLIERNDL--PR------ERQGKGSVHHVAFRVRDEEELAGWHRIISREGFSNSGIVER-Y---Y-------FKALYFREPNGILFELSTDGPGFMVDENLDELGQTIALPPYLEHRRAEIEAKLKPIQ 3ZGJ Chain:A ((15-331)) -PPSDIAYAELYVADDREASGFLVDSLGFVPLAVAGPATGTHDRRSTVLRSG----EVTLVVTQALAPDTPVARYVERHGDSIADLAFGCDD---VRSCFDRAVLAGAEALQAPT------FATVSGFGDIRHTLVPA------LLPPDRDWALLPAATGRTGPRPLLDHVAVCLESGTLRSTAEFYEAAFDMPYYSSEYIEVGEQAMDMIFVRNA--GGGITFTLIEPDDTRVPGQIDQFLSAHDGPGVQHLAFLVDD---IVGSVRSLGDRGVAFLRTPGAYYDLL-AIEDLRETNVLADRDEWGYLLQIFTRSP------------------------------------

General information: TITO was launched using: RESULT: Template: 3ZGJ.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 : 1269 -125382 -98.80 -493.63 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -98.80 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.396

(partial model without unconserved sides chains): PDB file : Tito_3ZGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZGJ-query.scw PDB file : Tito_Scwrl_3ZGJ.pdb: