Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPKYAQVKEEISSWINQGKILPDQKIPTENELMQQFGVSRHTIRKAIGDLVSQGLLYSVQGGGTFVASRSAKSALHSNKTIGVLTTYISDYIFPSIIRGIESYLSEQGYSMLLTSTNNNPDNERRGLENLLSQHIDGLIV------EPTKSALQTPNIGYYLNLEKNGIPFAMINASYAELAAPSFTLDDV-KGGMMAAEHLLSLGHTHMMGIFKA--DDTQGVKRMNGFIQAHRERELFPSPDMIVTFTTEEKES--KLLEKVKATLEKNSKHMPTAILCYNDEIALKVIDMLREMDLKVPEDMSIVGYDDSHFAQISEVKLTSVKHPKSVLGKAAAKYVIDCLEHKKPKQEDVIFEPELIIRQSARKLNE 2PUA Chain:A ((50-329)) --------------------------------------------------------------------ARSLK--VNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLE----------EYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREI-GVIPGPLEANTGAGRLAGFMKAMEE-AMIKVPESWIVQGDFEPESGYRAMQQILS-----QPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRS------

General information: TITO was launched using: RESULT: Template: 2PUA.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 : 1478 -4987 -3.37 -18.54 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -3.37 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_2PUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PUA-query.scw PDB file : Tito_Scwrl_2PUA.pdb: