Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------MENIIEINYNQTGKSKKTNEYGMREMQARAFEKR---NSQYLLVKAPPASGKSRALMFIGLDKLINQGLRK-----VIVAVPERSIGSSFKNTDLKSYGFFENWKVDPRNNLTVGGDNSKVKSFVRFMESDDQVLICTHSTLRFAFEKIDDKAFDNC-LLAIDEFHHVSADVNSRLGELLRSIIHNSSAHIVAMTGSYFRGDSVPILLPEDEELFDKVTYSYYEQLDGYEYLKGFGIGYHFYQGQYTSAINEVLDTNKKTIVHIPNVNSGESTKDKYDEVGKILDMIGEVEYQDDDTGIIYVKRHSDGKTLKIADLVDDQVGRENVVAYLRNIEALDDLDIIIALGMAKEGFDWPFCEHTLTVGYRGSLTEIVQIIGRCTRDSYNKTYAQFTNLIAMPDAKDEVVTYTVNTMLKAISASLLMEQVLTPDFKFKRRRNESEKSSTTGELFVKGLKEPSTENVKKIIENDINDLKAKIMQDSQVQKTFSGEVDPKVLNKVLIPKVIQKVYPNLSDEEIEEVRQHVVLDTVMKGAKSEVVGSKEFIRMADKFINIEDLDINLIDSINPFQKAFEVLSKELNSPVLKLIQETIDAKRINFDEDELVFIWPKV 3I5X Chain:A ((54-562)) SKLIHVPKEDNSKEVTLDSLLEEGVLDKEIHKAITRMEFPGLTPVQQKTIKPILSSEDHDVIARAKTGTGKTFAFLIPIFQHLINTKFDSQYMVKAVIVAPTRDLALQIEAEVKKIHDMNYGLK--KYACVSLVGGTDFRAAMNKMNKLRPNIVIATPGRLIDVLEKYSNKFFRFVDYKVLDEADRL---LEIGFRDDLETISGILNEK---NSKSADNIKTLLFSATLDDKVQKLANNIMNKK--ECLFLDTVDKNEPEAHERIDQSVVISEKFANSIFAAVEHIKKQIKERDSNY---KAIIFAPTVKFTSFLCSILKNEFKKDLPILEFHG-KITQNKRTSLVKRFKK----DESGILVCTDVGARGMDFPNVHEVLQIGVPSELANYIHRIGRTARSG-----------------KEGSSVLFICKDELPFVRELEDAKNIVIAKQEKYEP---------------------SEEIKSEVLEAVT-----------------------------------------EEPEDISDIVISLISSYRSCIKEYRFSERRILPEIAS--------------------TYGVLLNDPQLKIPVSRRFLDKLGLSRSPIGKAMFEIRD-

General information: TITO was launched using: RESULT: Template: 3I5X.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 : 2673 -230231 -86.13 -478.65 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -86.13 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.240

(partial model without unconserved sides chains): PDB file : Tito_3I5X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3I5X-query.scw PDB file : Tito_Scwrl_3I5X.pdb: