Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPKYAQVKEEISSWINQGKILPDQKIPTENELMQQFGVSRHTIRKAIGDLVSQGLLYSVQGGGTFVASRSAKSALHSNKTIGVLTTYISDYIFPSIIRGIESYLSEQGYSMLLTSTNNNPDNERRGLENLLSQHIDGLIV------EPTKSALQTPNIGYYLNLEKNGIPFAMINASYAELAAPSFTLDDV-KGGMMAAEHLLSLGHTHMMGIFKA--DDTQGVKRMNGFIQAHRERELFPSPDMIVTFTTEEKES--KLLEKVKATLEKNSKHMPTAILCYNDEIALKVIDMLREMDLKVPEDMSIVGYDDSHFAQISEVKLTSVKHPKSVLGKAAAKYVIDCLEHKKPKQEDVIFEPELIIRQSARKLNE 1VPW Chain:A ((50-329)) --------------------------------------------------------------------ARSMK--VNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLE----------EYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREI-GVIPGPLERNTGAGRLAGFMKAMEE-AMIKVPESWIVQGDFEPESGYRAMQQILS-----QPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRS------

General information: TITO was launched using: RESULT: Template: 1VPW.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 : 1477 -7386 -5.00 -27.46 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -5.00 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_1VPW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VPW-query.scw PDB file : Tito_Scwrl_1VPW.pdb: