Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPKYAQVKEEISSWINQGKILPDQKIPTENELMQQFGVSRHTIRKAIGDLVSQGLLYSVQGGGTFVASRSAKSALHSNKTIGVLTTYISDYIFPSIIRGIESYLSEQGYSMLLTSTNNNPDNERRGLENLLSQHIDGLIV------EPTKSALQTPNIGYYLNLEKNGIPFAMINASYAELAAPSFTLDDV-KGGMMAAEHLLSLGHTHMMGIFKA--DDTQGVKRMNGFIQAHRERELFPSPDMIVTFTTEEKES--KLLEKVKATLEKNSKHMPTAILCYNDEIALKVIDMLREMDLKVPEDMSIVGYDDSHFAQISEVKLTSVKHPKSVLGKAAAKYVIDCLEHKKPKQEDVIFEPELIIRQSARKLNE 1QQB Chain:A ((54-329)) --------------------------------------------------------------------------AVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLE----------EYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREI-GVIPGPLERNTGAGRLAGFMKAMEE-AMIKVPESWIVQGDFEPESGYRAMQQILS-----QPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRS------

General information: TITO was launched using: RESULT: Template: 1QQB.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 : 1468 -5284 -3.60 -19.94 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -3.60 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_1QQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QQB-query.scw PDB file : Tito_Scwrl_1QQB.pdb: