Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLIEHYVALVKTGCAEYGQMNEMTLTEIADCLFCTERNAKLILHKLENSNWIIRESGAGRGRKSKIAFLRRPEELLLQTAKEYTMSGKLKKAKELLQQYQSAFPGLQNEYNMWLSEVFGFVTETGENGAKDVLRLFITPESVSSLDPCQIFLRSEGH-FVKQIFDTLFTFDSDMQEPKPHLVHGWEEVG-KKQWRFFLRKGVLFHNGQP------LTSRDVAFTFQRFLELADNPYK-------------WLLHGVKQVLEKGPYCVELILDKPNALLPYALCDERLSILPAEQG-------------GGKNGTGPFQMNQQH-SGMLVLEANERYFKGRPYLDRVEFVFSEQAGE-MN---GFTIQ-E-----------KQTCPEQQTVFDERHVQYLSLNLKKKGPLQHRSFRKALRLLISSERLVREAGGHRRIPVTSFLHPSP---------FEWEGVSPSELLKKSGYE-GETIVLYTF-----SETDHREDAEWIQNICAQHGIRLTLQFCDAADLRRPEIVQMADIIHDSATFYQDSEFGFLHLLLSEN----SFLYQHLSEKLTQICSGMTERMFSMPDRCSRINILRDIDRQMIQELNAIPLYQNVLQVTSSKNVKGLVLDEEGWIDLYSVWLSK 3M8U Chain:A ((2-509)) ----------------------------------------------------------------------------------------------------------------------------------DKTFINCV-SRSPTGFSPALVMDGISYNASSQQVYNRLVEFKRGSTDIEPALAESWTVSDDGLTYTFNLRKGVKFHSNKEFTPSRDFNADDVVFSFQRQLDPN-HPYHNVSKATYPYFKAMKFSTLLKSVEKVDMHTVKITLNRQDATFLASLGMDFISIYSAEYADKMLAAGKPETIDTTPIGTGPFLFAGYQVDQKSRYLAHKEYWKGKADIDRLIFEIVPDATARYAKLQAGACDLIDFPNAADLEKMKTDPKVNLHSQSGLNIAYIAFNTEK-APFDNVKVRQALNYAVDKNAIIDAVYRGAGVAAKNPLPPTIWGYNNEITGYEYSPEKAKQLLKEAGFENGFETDIWVQPVVRASNPNPRRMAELVQSDWEKVGVKSKLVSYEWGDYIKRTKAGELTAGTYGWSGDNGDPDNFLSPLFGSENVGNSNYARFKN----PELDALLHKAVGLSDKAERAKIYEQAQVLLKEQAPWINVAHSINFAPTSKRVQDYKQSPFGYTYLYGTKLAD

General information: TITO was launched using: RESULT: Template: 3M8U.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 : 2403 -164064 -68.27 -374.57 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -68.27 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.376

(partial model without unconserved sides chains): PDB file : Tito_3M8U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M8U-query.scw PDB file : Tito_Scwrl_3M8U.pdb: