Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLLTLKKAHAAKIKKGYPLIEKEALAGSAGHMKEGDLVDIVSESGGEFLARGYYGLQNKGVGWTLTRNKHEQIDQAFFLSKLTKAAQARAKLFEAQDTTAFRLFNGEGDGVGGVTIDYYDGYLLIQWYSKGIYTF-----KDMLISALDEMDL-DYKAIYEKKRFDTAGQYVEDDDFVKGRRGEFPIIIQENGIQYAVDLNEGAMTGIFLDQRHVRKAIRDRYAKGKTVLNTFSYTGAFSVAAALGGAEKTTSVDVANRSLAKTIEQFSVNKLDYEAHDIKVMDVFNYFSYAAKKDLRFDLIILDPPSFARTKKRTFSAAKDYKNLLKETIAITADKGVIVASTNSSAFGMKKFKGFIDAAFKETNERYTIIEEFTLPEDFKTISAFPEGNYLKVVLLQKK 3V97 Chain:A ((393-697)) ---------------------------------------------------------------------------AEDYTNRLRKNLKKFEKWARQEGIECYRLYDADLPEY-NVAVDRYADWVVVQEYA-----HKARQRLFDIIAATISVLGIAPNKLVLKTRE---------------EK-GEFLEVTEYNAHLWVNLTDYLDTGLFLDHRIARRMLGQ-MSKGKDFLNLFSYTGSATVHAGLGGARSTTTVDMSRTYLEWAERNLRLNGLTGRAHRLIQADCLAWLRE---ANEQFDLIFIDPPTFS-----AFDVQRDHLALMKDLKRLLRAGGTIMFSNNKRGFRMD------LDGLAKLGLKAQEITQKTLSQDFARNRQIHNC-----------

General information: TITO was launched using: RESULT: Template: 3V97.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 : 1385 -2243 -1.62 -8.21 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -1.62 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_3V97.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3V97-query.scw PDB file : Tito_Scwrl_3V97.pdb: