Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLIEHYVALVKTGCAEYGQMNEMTLTEIADCLFCTERNAKLILHKLENSNWIIRESGAGRGRKSKIAFLRRPEELLLQTAKEYTMSGKLKKAKELLQQYQSAFPGLQNEYNMWLSEVFGFVTETGENGAKDVLRLFITPESVSSLDPCQIFLRSEGHFVKQIFDTLFTFDSDMQEPKPHLVHGWEEVG-KKQWRFFLRKGVLFHNGQPLTSRDVAFTFQRFLELA-DNPYKWLL----------------HGVKQVLEKGPYCVELILDKPNALLPYALCDERLSILPAEQG----------GGKNGTGPFQMNQQH-SGMLVLEANERYFKGR-PYLDRVEFVFSEQAGE-MN---GFTIQ-EK---QTCP---E----QQTVFDERHVQYLSLNLKKKGPLQHRSFRKALRLLISSERLVREAGGHRRIPVTSFLHPSP--------FEWEGVSPSELLKKSGYEGE----TIVLYTFSETDHREDAEWIQNICAQ-HGIRLTLQFCDAADLRRPEIVQMADIIHDSATFYQDSEFGFLHLLLSEN-SF-LYQHLSEKLTQICSGMTERMFSMPDRCSRINILRDIDRQMIQ-ELNAIPLYQNVLQVTS-SKNVKGLVLDEEGWIDLYSVWLSK 4GL8 Chain:A ((29-528)) ----------------------------------------------------------------------------------------------------------------------------------KLVFKLNI-GSEPATLDAQLINDTVGSGIVSQMFLGILDGDPRTGGYRPGLAKSWDISDDGVVYTFHLRDNLVWSDGVSITAEGIRKSYLRILDKETGSSFVNMIKSVIKNAEEYFDGKANESELGIKALDEKTLEITLKSPKPYFLDMLVHQTFIPVPMHVIEKYGQRWTDPENMVVSGPFKLKSRVLNEKVVLEKNNKYYNSKDVVLDSIIFFVTDNSITAYNMYLNDELDAIFKNVPPDLLKDLKLRDDYYSMGINSTSFYSLNMKV-KPLDNVKVRKALSFAIDRKTLTESVLNDSSIPTRRATPDYIDYSYKSNLSLFDAEMAKKLLADAGYPNGNNFPLLKVKYNTSDSQRKIAEFIQNQWKKNLNINVQLENEEWSTYINSRVNGNYEIIRSGWSGDYADPMTFLSIFQTENTSFSSYGYSN----SEYDELLIKSDNERDIFKRQEILKKAEAIIIERDFPAVFLNITSSSYLFRNDKWKGWEPNISERFNLSEIKPI-

General information: TITO was launched using: RESULT: Template: 4GL8.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 : 2433 -165693 -68.10 -378.29 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -68.10 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.364

(partial model without unconserved sides chains): PDB file : Tito_4GL8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GL8-query.scw PDB file : Tito_Scwrl_4GL8.pdb: