Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKLAADQLTLSYDSTVIIDGVDLKIEEGKITALIGANGCGKSTILKSLARLMAPKSGTVLLEGKDIHRQPSKEVAKKLAILPQSPQAPEGLTVEELCYFGRHPHKKLLSKHTQEDHDMVEWALEATGMIELKDRTLDALSGGQRQRAWISMALAQ------GTDLLLLDEPTTYLDISHQIEVLELLKKLNRDHGRTVVMVLHDLNQAAQYADYLISVLDGKIYNAGTPEDVFTQPFFREVFGLECCIMRSPIDQKPMCLPTGLCPKLRAK 4G1U Chain:C ((12-260)) ---LEASHLHYHVQQQALINDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPKALARTRAVMRQYSELAFPFSVSEVIQMGRAPYGG------SQDRQALQQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLNAETLTQWYQADLGVSRHPESALP--------------

General information: TITO was launched using: RESULT: Template: 4G1U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1210 -174191 -143.96 -716.84 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : -143.96 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.405

(partial model without unconserved sides chains): PDB file : Tito_4G1U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G1U-query.scw PDB file : Tito_Scwrl_4G1U.pdb: