Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKLSTMLKVDRTVDKEGQSPIAEHILEQWEHD--QGSAQFF-RSSTNFVYIFRKGGETCFLRFAESTER-TRAEI-EAEMALLNFLASQGMTVATPVVSKNGRCVATVETDLGTFHAVVFTQLPGREVEIEELSPAQFEIWGATLGKLHAMTHRYQDPKV----AARGTWRDHLTLVRNAVP--------TD---EPRVQAECDYLTSFLAALPVTEMNSGLIHGDFELDNLRWQD---ETLAMFDFDECAASWYIADVAFALRDLFETG--------VDLS-HPSFRAFIRGYCE--QYSLDEELLSHLPTFMRLVNLIIYAKLVRATDLTQDQDYPEWCTSLLLKLENWKQNYKTSLLSIPV 4OCV Chain:A ((26-328)) --------------------EALFDVASHFALEGTVDSIEPYGDGHINTTYLVTTDGPRYILQRMNTGIFPDTVNLMRNVELVTSTLKAQGKETLDIVRTTSGDTWAEI----DGGAWRVYKFIEHTMSYNLVPNPDVFREAGRAFGDFQNFLSGFDANQLTETIAHFHDTPHRFEDFKKALAADELGRAAGCGPEIEFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDERDLDKVHFSTELFRAYTEGFVGELRDSITAREAELLPFSGNLLTMECGMRFL--------------------------------------

General information: TITO was launched using: RESULT: Template: 4OCV.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 : 1140 -7764 -6.81 -28.86 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -6.81 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_4OCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ocv-query.scw PDB file : Tito_Scwrl_4OCV.pdb: