Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLIEHYVALVKTGCAEYGQMNEMTLTEIADCLFCTERNAKLILHKLENSNWIIRESGAGRGRKSKIAFLRRPEELLLQTAKEYTMSGKLKKAKELLQQYQSAFPGLQNEYNMWLSEVFGFVTETGENGAKDVLRLFITPESVSSLDPCQIFLRSEGHFVKQIFDTLFTFDSDMQEPKPHLVHGWE--EVGKKQWRFFLRKGVLFHNGQ------PLTSRDVAFTFQRFLELADNPYKWLLHG-------------VKQVLEKGPYCVELILDKPNALLPYALCDERLSILPAE-------QGGGKN------GTGPF--QMNQQHSGMLVLEANERYFKGRPYLDRVEFVFSEQAGEM---------------NGFTIQEKQTCPEQQTVFDER-HVQYLSLNLKKKGPLQHRSFRKALRLLISSERLVR---EAGGHRRIPVTSFLHPSPFEWEGVSP------------SELLKKSGY----EGETIV--LYTFSETDHREDAEWIQNICAQHGIRLTLQFCDAADL-RRPEIVQMADIIHDSATFYQDSEFGFLHLLLSENSFLYQHLSEKLTQICSGMTERMFSMPDRCSRINILRDIDRQMIQELNAIPLYQNVLQVTSSKNVKGLVLDEEGWIDLYSVWLSK 3TPA Chain:A ((37-512)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------QQVYNRLVEFKAGKIEVEPGLAERWEISEDGLV-YTFYLRQNVKFHSNKTFSPTRPLNADDVVFSFQRQAD-KNHPYHNVSAGTYFYFNWMNLPSILKSVEKVDDYTVKITLNKPNTPFITTVAMDFLSIYSKEYADQLLAQGKPETLDQQPIGTGPFIFQTNQTDHAVR-YTANVDYWKGKADIERLIFSITPDAGTRYAKLKAGECDVIDFPNISDIAQMKKDPQINLLEREGLNLAYIGLNTTKPE-LNNVKVRQALHHATDKKAIVDAVYQGGG------TVATNPFPDAVLGYNPHLPQYEFNLEKAKALLAEAGYPNGFETEIWVQPVVRPSNPNPRRTAEIIQADWAKIGVKAKLVTHEWADFNKRTREGEFAAGTYGWTSRNGDPD-NFLFPLFSQANIPGTNYSRWTDEKFEALLASAAQIQDTQTRAKLYQQAVEIFQQNSPIIPFAHSINYVPLNKRVQGFVQNPFGYTAFYGVSL--

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 : 1984 -104781 -52.81 -260.65 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -52.81 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.322

(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: