Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRTSEKQVKPIEIDDINIIENEKTKKAITAAALGNAIEWFDFGVYGYVAYVLGKVFFPDASPSVQMIAALATFSVP--FIFRPLGGLFFGHLGDKYGRQKVLAITVIIMSISTFGIGLIPSYETIGLWA-------PILL-------LIVKIVQGFSIGGEYSGAAIFVAEYSPDRKRGFMGSWLDFGSIAGFVLGAATVALITHAVGEARFAEW----GWRIPFFLALPLGIIGLYLRNRLEETPVY--QQHSEQQAQKSKPQKFSFKEI-FVKHK----RSLLVCIGLVI--------STNVTYYMLLTYLPSYFSHNLGYSEAHGALIIIAVMVGMLFVQPVIGYLSDKFGRRPFIFIGSFSL---IFLSYPAFVLLNSGVNYQIFIGLLILALSLNMSIG-VMASTLPALFPTEIRYSALGIAFNFSVVIAGLTPTLTATLVETTHNLMVPAYYLMICGVVGIATAMYLKETANKPLIGGVPIAHNIEEAQELLEEFHETIEQKIENIDQKIQELQQKRQKLADKHPDIA 4JA4 Chain:A ((17-417)) ------------------------------ATLGGLLFGYDTAVISGTVESLNTVFVAPQNLSESAANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFIS--GVG--SAWPELGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAELAPAHIRGKLVSFNQFAIIFGQLL----VYCVNYFIARSGDASWLNTDGWRYMFASECIPALLFLMLLYTVPESPRWLMQEQAEGILRKIMGNTLATQAVQEIKHSLDHG---MFGVGVIVIGVMLSIFQQFVGINVVLYYAPEV------------LLQTIIVGVINLTFTVLAIMTVDKFGRKPLQIIGALGMAIGMFSLGTAFYTQAPGI--VALLSMLFYVAAFAMSWGPVCWVLLSEIFPNAIRGKALAIA-----------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4JA4.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 : 1286 -149432 -116.20 -448.74 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -116.20 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.181

(partial model without unconserved sides chains): PDB file : Tito_4JA4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JA4-query.scw PDB file : Tito_Scwrl_4JA4.pdb: