Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSARRSRLRRVRWLPHQRIVVLKEVDLWAEDCVTEGVDVVAERLWRMRMDASRNGRAQYLAEYLALHVDSSRHYQWLLSNY-GPSLRDVLLTSSLTPFTEERCKGVLRRVLLALDQLHRVSMYVHADVSLGNVLTSPS--SCDDVVLGDLESVSPIGAVP---RGCLGSYLFMAPERLVDGALPLAPHDDIWAFGIVCYNLLTWDVTHPWCALGTESDHSENYWAFLDLMSKAKDVPPCQLLLQSPLSRCSKEALTFVAVCLSWDPACRPSAAELLQHSWMLSP 2QR8 Chain:A ((31-283)) GVGSYSVCKRCIHKATNMEFAVKIIDKSK--------RDPTEEIEILLRY--GQ--HPNIITLKDVYDDGKYVY-VVTELMKGGELLDKILRQ--KFFSEREASAVLFTITKTVEYLHAQ-GVVHRDLKPSNILYVDESGNPESIRICDFGFAKQLRAENGLLMTPCYTANFVAPEVLE--RQGYDAACDIWSLGVLLYTMLTGY--TPFANGPD-----DTPEEILAR--IGSGKFS--LS-GGYWNSVSDTAKDLVSKMLHVDPHQRLTAALVLRHPWIVH-

General information: TITO was launched using: RESULT: Template: 2QR8.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 : 1048 -60302 -57.54 -244.14 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -57.54 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.412

(partial model without unconserved sides chains): PDB file : Tito_2QR8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QR8-query.scw PDB file : Tito_Scwrl_2QR8.pdb: