Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRTLIIISHPTIEESLNQQFFKEA---SAG--LPATWHHLESSYPD--------------------------------GKIDIETELQLLAQHDRIIFQFPFYWYSSPAHLKIWQDNVLERA----------AHVLKGKELGIVLTTGVAEKEYQAGGKEEYTISEFLR-PYQRIANKFHMTYLPPFVLAQFMYLSQEKRWEKLIAYQQYLSL-EGKPSLTQRIDWFIQRVQENQKMQEEESEKQAYIVEALTEAKEQIEDLTFTLQEMKGTSL 1QR2 Chain:A ((3-229)) KKVLIVYAHQEPK-SFNGSLKNVAVDELSRQGCTVTVSDLYAMNFEPRATDKDITGTLSNPEVFNYGVETHEAYKQRSLASDITDEQKKVREADLVIFQFPLYWFSVPAILKGWMDRVLCQGFAFDIPGFYDSGLLQGKLALLSVTTGGTAEMYTKTGVNGDS-RYFLWPLQHGTLHFCGFKVLAPQISFAPEIASEEERKGMVAAWSQRLQTIWKEEPIPCTAHWHFG---------------------------------------------

General information: TITO was launched using: RESULT: Template: 1QR2.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 : 802 -33586 -41.88 -188.68 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -41.88 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_1QR2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QR2-query.scw PDB file : Tito_Scwrl_1QR2.pdb: