Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTPLNERRIANAIRVLAMDAVQQANSGHPGAPMGMADIADVVWREFLNHNPNNPQWANRDRFVLSNGHGSMLQYALLHLTGYDLSIEDLKQFRQLHSKTPGHPEYGYAPGIETTTGPLGQGIANAVGFALAEKTLAAQFNKDDLKVVDHFTYCFLGDGCLMEGISHEVCSLAGTLQLGKLIAYYDDNGISIDGEVEGWFSDDTEERFKSYGWQVLRVDG--HDADAIRQATVEAKAETQKPTIIICKTIIGLGSPNKQGKEDCHGAPLGKDEITLTREALGWTEE-AFVIPADVYAAWDAK-AKGNEAEAAWNEVFAQYQAKYPTEAAELLRRISGDLPTEFSAQADAFIRETNAKAETVATRKASQNTLQAFGPLLPELLGGSADLAGSNLTLWKGCQGVQ------ENPAGNYVYYGVREFGMTAIANGVALHGG-FIPYAATFLMFMEYARNAVRMSALMKQRVIHVYTHDSIGLGEDGPTHQPIEQIASLRGTPNLNTWRPADTVETAIAWKSALERKDGPTALIFSRQNLPFQTRTEEQIQNAAKGGYILAQEKGELKAIIIATGSEVSLAMEAYAQLE--G--VRVVSMPCAEEFMKQDAAYREAVLPAHIRARVAVEAAHVDYWWKFVGLDGKVIGMTTYGESAPAKDLFQFFGITTEAVVAAVKELTA 5HYV Chain:A ((22-682)) ---SSVDQKAISTIRLLAVDAVAAANSGHPGAPLGLAPAAHAVFK-KMRFNPKDTKWINRDRFVLSNGHACALLYSMLVLYGYDLTVEDLKKFRQLGSKTPGHPENTDVPGAEVTTGPLGQGICNGVGIALAQAQFAATYNKPDFPISDSYTYVFLGDGCLMEGVSSEASSLAGHLQLGNLIAFWDDNKISIDGSTEVAFTEDVIARYKSYGWHIVEVSDADTDITAIAAAIDEAKKVTNKPTLVRLTTTIGFGSL-AQGTHGVHGAPLKADDIKQLKTKWGFNPEESFAVPAEVTASYNEHVAENQKIQQQWNELFAAYKQKYPELGAELQRRLDGKLPENWDKALPVYTP----ADAAVATRKLSEIVLSKIIPEVPEIIGGSADLTPSNLTKAKGTVDFQPAATGLGDYSGRYIRYGVREHAMGAIMNGIAAFGANYKNYGGTFLNFVSYAAGAVRLSALSEFPITWVATHDSIGLGEDGPTHQPIETLAHFRATPNISVWRPADGNETSAAYKSAIESTHTPHILALTRQNLPQLEGS--SIEKASKGGYTLVQQ-DKADIIIVATGSEVSLAVDALKVLEGQGIKAGVVSLPDQLTFDKQSEEYKLSVLPDG-VPILSVEVMSTFGWSKYS---HQQFGLNRFGASGKAPEIFKLFEFTPEGVAERAAKTVA

General information: TITO was launched using: RESULT: Template: 5HYV.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 : 4137 -89889 -21.73 -139.15 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -21.73 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.554

(partial model without unconserved sides chains): PDB file : Tito_5HYV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HYV-query.scw PDB file : Tito_Scwrl_5HYV.pdb: