Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLIEHYVALVKTGCAEYGQMNEMTLTEIADCLFCTERNAKLILHKLENSNWIIRESGAGRGRKSKIAFLRRPEELLLQTAKEYTMSGKLKKAKELLQQYQSAFPGLQNEYNMWLSEVFGFVTETGENGAKDVLRLFITPESVSSLDPCQIFLRSEGH-FVKQIFDTLFTFDSDMQEPKPHLVHGWEEVG-KKQWRFFLRKGVLFHNG------QPLTSRDVAFTFQRFLELADNPY-------------KWLLHGVKQVLEKGPYCVELILDKPNALLPYALCDERLSILPAEQG-------------GGKNGTGPFQMNQQH-SGMLVLEANERYFKGRPYLDRVEFVFSEQAGE-MN---GFTIQ-E-----------KQTCPEQQTVFDERHVQYLSLNLKKKGPLQHRSFRKALRLLISSERLVREAGGHRRIPVTSFLHPSP---------FEWEGVSPSELLKKSGYE-GETIVLYTF-----SETDHREDAEWIQNICAQHGIRLTLQFCDAADLRRPEIVQMADIIHDSATFYQDSEFGFLH-LLLSEN---SFLYQHLSEKLTQICSGMTERMFSMPDRCSRINILRDIDRQMIQELNAIPLYQNVLQVTSSKNVKGLVLDEEGWIDLYSVWLSK 3TPA Chain:A ((8-513)) -----------------------------------------------------------------------------------------------------------------------------------NTLVNCI-ATAPMKLSPAITNDANDFNASSQQVYNRLVEFKAGKIEVEPGLAERWEISEDGLVYTFYLRQNVKFHSNKTFSPTRPLNADDVVFSFQRQADKN-HPYHNVSAGTYFYFNWMNLPSILKSVEKVDDYTVKITLNKPNTPFITTVAMDFLSIYSKEYADQLLAQGKPETLDQQPIGTGPFIFQTNQTDHAVRYTANVDYWKGKADIERLIFSITPDAGTRYAKLKAGECDVIDFPNISDIAQMKKDPQINLLEREGLNLAYIGLNTTK-PELNNVKVRQALHHATDKKAIVDAVYQGGGTVATNPFPDAVLGYNPHLPQYEFNLEKAKALLAEAGYPNGFETEIWVQPVVRPSNPNPRRTAEIIQADWAKIGVKAKLVTHEWADFNKRTREGEFAAGTYGWTSRNGDPDNFLFPLFSQANIPGTNYSRWT----DEKFEALLASAAQIQDTQTRAKLYQQAVEIFQQNSPIIPFAHSINYVPLNKRVQGFVQNPFGYTAFYGVSLK-

General information: TITO was launched using: RESULT: Template: 3TPA.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 : 2411 -166450 -69.04 -381.76 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -69.04 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.336

(partial model without unconserved sides chains): PDB file : Tito_3TPA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TPA-query.scw PDB file : Tito_Scwrl_3TPA.pdb: