Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MAIEAGLVLFFVFVVLLVLGMPIAISIAFSSMMT------LLLVIPFDVSAFSSAQKMVGSINSFSLIAIP----FFVLSGIIMNNGGIAKKLVDFAMLFVGRVPGALAHT------NVLGNALFGSISSSAIAASTAIGGVLIPQQVEEGYDRKFATAVNIASAPTGMVIPPSTAFIMYSLVAGGASISALFMGGYLVGALWALGIMLVAFIVAKKNKYPVVEKGQMAHAGKIIKEAIPSLLLIVIIIGGILTGIFTAVEASAIAVIYSLLIAMFYYKTVKLKDIPNMLFQSVAMSGTIMFLLATSSMMSFAMAFTGIPQAISSLIMGVTDNKFIILLLVNL--VLLLVGMFMDVAPAILIFTPIFLPIVTS---------VGVDPVHYGLFSIMNLCVGSITPPVGTGLYVGASVGGVKAEAMLKPLLPFYGVILVVLFLITYFPQIVMWLPNMLS 5DOQ Chain:A ((1-432)) MNGYDPVLLSRILTELTLTVHIIYA-TIGVGVPLMIAIAQWVGIRKNDMHYILLARRWTRGFVITVAVGVVTGTAIGLQLSLLWPNFMQLAGQVIS---LPLFMETFAFFFEAIFLGIYLYTWDRFENQKKHLLLLIPVAIGSSASAMFITMVNAFMNTPQGFELKNGELVNID--PIVAMFNPAMPTKVAHVLATSYMTSAFVLASIAAWHLW------------KGNR-------------HIYHRKALHLTMKTAFIFSVASALVGDLSGKFLAEYQPEKLAAAEWHFETSSHAPLILFGTLEEDNEVKYALEIPYALSILAH--NHPAAVVTGLNDIPEDERPPLYIHYLFDVMVTIGVFLMVVAAVYWLGSIFRWKWTAKNWFFGLLVAGGPLAMIAIEAGWYLAEVGRQPWILRGYMKTAE--GATTSAHVDTMLVLFCLLYIVLVIASATVLIRMFRRNP--

General information: TITO was launched using: RESULT: Template: 5DOQ.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 : 1898 -250552 -132.01 -635.92 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -132.01 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.174

(partial model without unconserved sides chains): PDB file : Tito_5DOQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DOQ-query.scw PDB file : Tito_Scwrl_5DOQ.pdb: