Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MSKKLNRKKQLRNG----LRRSGAFSSTVTKVVDETK----KVVKRAEQSASAAGKAVSKKVEQAV---EATKEQAQKVANSVEDFAANLGGLPLDRAKTFYDEG-IKSASDFKNWTEKELLDLKGIGPATIKKLKENGIKFK---------------------------------------------------------------------------------- 1DGS Chain:A ((1-581)) MTREEARRRINELRDLIRYHNYRYYVLADPEISDAEYDRLLRELKELEERFPEFKSPDSPTEQVGARPLEPTFRPVRHPTRMYSLDNAFTYEEVLAFEERLEREAEAPSLYTVEHKVDGLSVLYYEEGVWSTGSGDGEVGEEVTQNLLTIPTIPRRLKGVPDRLEVRGEVYMPIEAFLRLNEELEERGEKVFKNPRNAAAGSLRQKDPRVTAKRGLRATFYALGLGLGLEESGLKSQYELLLWLKEKGFPVEHCYEKALGAEGVEEVYRRGLAQRHALPFEADGVVLKLDDLTLWGELGYTARAPRFALAYKFPAEEKETRLLDVVFQVGRTGRVTPVGVLEPVFIEGSEVSRVTLHNESYIEELDIRIGDWVLVHKAGGVIPEVLRVLKERRTGKERPIRWPEACPECGHRLVKEGKVHRCPNPLCPAKRFEAIRHYASRKAMDIEGLGEKLIERLLEKGLVRDVADLYHLRKEDLLGLERMGEKSAQNLLRQIEESKHRGLERLLYALGLPGVGEVLARNLARRFGTMDRLLEASLEELIEVEEVGELTARAILETLKDPAFRDLVRRLKEAGVSMESK

General information: TITO was launched using: RESULT: Template: 1DGS.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 : 294 33815 115.02 258.13 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 115.02 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.335

(partial model without unconserved sides chains): PDB file : Tito_1DGS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DGS-query.scw PDB file : Tito_Scwrl_1DGS.pdb: