Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRYIEISDLTFYYDDEPVLEDVSYHVDAGEFVILTGENGAAKSTLVKASLGLLKPSKGMIKI-------AEKNQEGKKLSIGYIPQQVASFNAGFPSTVIELVRSGRYPRGRWFKRLSEKDHQ-HVQRALEAVGMWDMRNRRIGELSGGQKQRISLARIFATDPDLFVLDEPTTGMDEESRNEFYRLLRHSAHVHGKSVLMITHDHEDIKQYADRQIRLVRKEDSQWRCFHMNS 5X40 Chain:A ((33-221)) ------------------LDDLSLAVPKGESLAILGPNGAGKSTLLLHLNGTLRPQSGRVLLGGTATGHSRKDLTGWRRRVGLVLQD--ADDQLFATTVFEDVSFGPLNLG-----LSEAEARARVEEALAALSISDLRDRPTHMLSGGQKRRVAIAGAVAMRPEVLLLDQPTAGLDLAGTEQLLTLLR-GLRAAGMTLVFSTHDVELAAALADR-------------------

General information: TITO was launched using: RESULT: Template: 5X40.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 : 809 4474 5.53 24.72 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 5.53 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_5X40.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X40-query.scw PDB file : Tito_Scwrl_5X40.pdb: