Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MELVQQL-------------------IADYGYLAIFLMLVLGIVGLPIPDEVMMTVVGYFTHTDVLNYELSILISFVGALLGMLISYMIGRKAGRPFIDKYGKWVGLKEKRMMKVEKWMK-----KYGPYSLILGYFIPGVRHVTCY----FSGIGKMDLKTYVAFAAIGAFLWCFVFITIGRVIGIIHV---------- 1M4U Chain:A ((1-206)) MQHYLHIRPAPSDNLPLVDLIEHPDPIFDPKEKDLNETLLRSLLGGHY-DPGFMATSPPEDRPGGAEDLAELDQLLRQRPSGAMPSEIKGLEFSEGLAQGKKQRLSKKLRRKLQMWLWSQTFCPVLYAWNDLGSRFWPRYVKVGSCFSKRSCSVPEGMVCKPSKSVHLTVLRWRCQRRGGQRCGWIPIQYPIISECKCSC

General information: TITO was launched using: RESULT: Template: 1M4U.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 : 412 -72203 -175.25 -448.46 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -175.25 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.080

(partial model without unconserved sides chains): PDB file : Tito_1M4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1M4U-query.scw PDB file : Tito_Scwrl_1M4U.pdb: