Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRKKLALSLIAFWLTACLVGCASWI------------DRGESITAVGSTALQPLVEVAADEFGTIHVGKTVNVQGGGSGTGLSQVQSGAVDIGNSDVFAEEKDGID---------ASALVDHKVAVAGLALIVNKEVDVDNLTTEQLRQIFIG--------EVTNWKEVGGK----DLPISVINRAAGSGSRATFDTVIME-GQSAMQSQEQDSNGAVKSIVSKSPGAISYLSLTYIDDSVKSMKL---N---GYDLSPENISSNNWPLWSYEHMYTLGQ----PNELAAEFLNFVLSDETQEGIVKGLKYIPIKEMKVEKDAAGTVTVLEGRQ 4OMB Chain:A ((36-330)) --------------------------AIDPALPEYQKASGVSGNLSSVGSDTLANLMTMWAEEYKRLYPNVNIQIQAAGSSTAPPALTEGTANLG----PMSRKMKDVELQAFEQKYGYKPTAVPVAVDALAIFVHKDNPIKGLTMQQVDAIFSATRLCGSKQDVKTWGDLGLTGDWAKKPVQLFGRNSVSGTYGYFKEEALCKGDFRPNVNEQPGSASVVQSVSQSLNGIGYSGIGYKTASVKTVALAKKEGAAFVEDNEQNALNGTYPLSRFLYVYVNKAPNKPLDPLEAQFLKLVLSKTGQ-QVVVKDGYIPLPAKVAEKAIK----------

General information: TITO was launched using: RESULT: Template: 4OMB.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 : 1316 52682 40.03 209.89 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 40.03 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_4OMB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OMB-query.scw PDB file : Tito_Scwrl_4OMB.pdb: