Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRIILLLAVIIAAAAAGVAFYVAKDKGHEKAADVSVNTESGDELLVSITDTDLLTKYYENDK--V-I--HEEK-LTSYPAFALDQKQQVLYYTGNNEQNEMRLFKLDLKSHKKTM-LYKGAESADSLFLSKDRSTIYFRLGKADESNFRIAAFDLKTKKYKNLYPAANDQDDTVSSFFYNQKNDSFALLHYSVEEDYKKTDEANEKGIDPEPTTIHFAEGR-QNKFNELKSLNQFISDIAVSDDDKRILFTSYTQKGTEQTASIQMLNADTKKYESIISNQKSFKLLIDAQPQFSKDGKNIYFLAEAKGAKKLKDETGREAKVRTIYSYSLENKTFKKVWENPNGIINSFFVIN 3OW8 Chain:A ((50-298)) ----------------------------------------------TVVTGSLDDLVKVWKWRDERLDLQWSLEGHQLGVVSVDISHTLPIAASSSLD----AHIRLWDLENGKQIKSIDAGPVDAWTLAFSPDSQYLATGTH-----VGKVNIFGVESGKKEYSLD---TRGKFILSIAYSPDGKYLASGAID--GI------------------INIFDIATGKLLHTLEGHAMPIRSLTFSPDSQLLVTASD-------DGYIKIYDVQHANLAGTLSGHA----SWVLNVAFCPDDTHFVSSSSD----------------KSVKVWDVGTRTCVHTFFDHQDQVWGVKY--

General information: TITO was launched using: RESULT: Template: 3OW8.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 : 1403 -114343 -81.50 -474.45 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -81.50 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.421

(partial model without unconserved sides chains): PDB file : Tito_3OW8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OW8-query.scw PDB file : Tito_Scwrl_3OW8.pdb: