Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTNQQPKAVIVIFGATGDLAKRKLYPSIHRLYQNGQIGEEFAVVGVGRRPWSNEDLRQTVKTSISSSADK------HIDDFTSHFYYHPFDVTNPGSYQELNVLLNQLEDTYQIP---NNRMFYLAMAPEFFGTIAKTLKSEGVTA-TTGWSRLVIEKPFGHDLPSAQALNKEIREAFTEDQIYRIDHYLGKQMVQNIEVIRFANAIFEPLWTNRYISNIQITSSESLGVEDRARYYEKSGALRDMVQNHIMQMVALLAMEPPIKLNTEEIRSEKVKVLRALRPIAKDEVDEYFVRGQYHAGEIDGVPVPAYTDEDNVAPDSNTETFVAGKLLIDNFRWAGVPFYIRTGKRMKEKSTKIVVQFKDIPMNLYYGNENNMNPNLLVIHIQPDEGITLYLNAKKLGGAAHAQPIKLDYCSNCNDELNTPEAYEKLIHDCLLGDATNFAHWDEVALSWSFVDSISETWAANKTLSPNYESGSMGPKESDDLLVKDGLHWWNI 4EM5 Chain:D ((57-531)) ----------IVVLGASGDLAKKKTFPALFQLYCNGMLPRDVNILGYARS--TMEDVEKWKKDTLAGFFTRLDERGCHVGNFLRRISYMTGSYDRDEDFARLNERILRMEEAFQGPEKGGNRLFYLALPPSVFVGVCRGLSKGAMQKPELGWVRLIVEKPFGRDTETSEQLSNQLKPLFNERQVFRIDHYLGKEMVQNIIVTRFANRVFSALWNSNSIACVQITFKEKIGTAGRGGYFDSIGIIRDVIQNHLTQILSLLTMEKPRSLSAEDIRDEKVQVLRQVVPANPAEC----VLGQYTA-SADG-STPGYLDDPSVPKGSHCPTFAVLRLHVNNDRWHGVPFIIRAGKALEERLLDIRIQFKDEIRP--FGESTQRNE--LVIRAQPSEAMYLKLTAKTPGLLNDTHQTELDLTYERRYDVTLPDAYESLIHEALLGNSTNFVRVDELDAAWRIYTPLLHAIDRGEVKVLPYAAGSCGPEEAQEFIRISGYKTT--

General information: TITO was launched using: RESULT: Template: 4EM5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2398 -9355 -3.90 -20.12 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain D : 0.80 3D Compatibility (PKB) : -3.90 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_4EM5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4EM5-query.scw PDB file : Tito_Scwrl_4EM5.pdb: