Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLLAAAVATLSVNAVQAAPTLYGKLNVSINQVDNKNFDGKSDVTEVNSNSSRIGVKGEEKLTDKLSAVYLAEWAISTDGSGS--DTDLSARNRFIGLKTEGVGTLKVGKYDSYFKTSAGSNQDIFNDDTRLDIT---NIMYGENRLDNVVGFELDPKLL----AGLTFNIMAQTGESTSDSKKGETGKDSKNDSFDSVSTSLGYENKDLGLAIAAAGDFGIKGKYAAYGLKDVYTDAYRVTGSYDIAKSGFVVGALWQHAEPTDDLTAYGQTYKSDGSIDKAGKAYRGLEEEAYAVTAAYKIPNTKLKVKAEYASAETQVNG---QADRKIDLYGLGLDYQINKQARFYGIVAQQKRDWLN----DDDKQTVVGTGIEYNF 3NSG Chain:B ((8-341)) ------------------GNKLDLYGKAVGRHVWTTTGD-----S-KNADQTYAQIGFKGETQINTDLTGFGQWEYRTKADRAEGEQQNSNLVRLAFAGLKYAEVGSIDYGRNYGIVYDVE-SYTDMAPYFSGETWGGAYTDNYMTSRAGGLLTYRN-SD-FFGLVDGLSFGIQYQGKNQDNHS--------INSQNGDGVGYTMAYEFDGFGVTAAYSNSKRTNDQQD-RDGNGDRAESRAVGAKYDAN--NVYLAAVYAETRNMSIVENTV-----------TDTVEMANKTQNLEVVAQYQFDF-GLRPAISYVQSKGKQLNGAGGSADLAKYIQAGATYYFNKNMNVWVDYRFNLLDENDYSSSYVGTDDQAAVGITYQF

General information: TITO was launched using: RESULT: Template: 3NSG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1747 81491 46.65 256.26 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 46.65 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.106

(partial model without unconserved sides chains): PDB file : Tito_3NSG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NSG-query.scw PDB file : Tito_Scwrl_3NSG.pdb: