Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------MKKISHLCMLLLLLCTTFF-------VFNVNYTRE---------VVR----IQEMGKTVDSLDLYLKDINEP----------AASVLRFFEDVSKEYK-VSIIKTDSGDEVVKSGVFDKDTFPYQEFGISSLDFTTDGEGVYSNKEISNKLGTIPTFLKAKPIQLMTFQTYIKDTSRSLNGRYTITSTQEMDKDRIVQKWSDFFKIDQATLLEPTYKSA-------VEVINRDLLLSAIVFVLAILLLVLVTVYQPMMEMKRVGVQKLLGFQDRAVLADVVKGNLYLLLGGALVINLGVFFLLDYKPKDLFPMLWLSHFLLLQLYLFISWL--------------------TYLLIQKMTISSLLKGFSS----FKFGLIFNYVMKIGTTILLTALLIGV-GRSLEQENKELAY--QQQWVSQGNYLTLETFKLNDNLWQEELAGSGKSTDYFYRFYQDLVEKTQAGYVQSSSL--PVKNFVQSEQIQQYQLTDTVDVYYANRNFLKSKGFKLPDTGIKKV------ILMPASTKGEEDKNQLLGKLIAFHSMKYEEQQKRTIEEMDVEIAYYE-------GDWSFFPYSDKRKENLS-NPIISLVNDSDMMWDEKASLSTTGLNNPIKIENTVQHQKEITELVEKLSDGNYLKFSSIQA-----------------------------IQQEKVDSYRDAVRNFNLLFALFGLLSM----------MISYFLLVTTFLLKRRDIITKKFMGWKLVDRYRPLLVLLLLGYSFPLLVLIFFAHAFLPLLLFA-------GFTCLDILFVLGLASRM-------------EKRSLVELLKGGIL-------------------------------------------------------- 5IJL Chain:A ((9-1044)) PKEMEEYFEMLQREIDKAYEIAKKARAQGKDPSLDVEIPQATDMAGRVESLVGPPGVAKRIRELVKEYGKEIAALKIVDEIIEGKFGDLGSREKYAEQAVRTALAILTEGIVSAPIEGIANVKIKRNTWADNSEYLALYYAGPIRSSGGTAQALSVLVGDYVRRKLGLDRFKPSEKHIERMVEEVDLYHRAVTRLQYHPSPEEVRLAMRN---IPIEITGEATDDVEVSHRDVPGVETNQLRGGAILVLAEGVLQKAKKLVKYIDKMG--IEGWEWLKEFVEAKEKGV--DMGFYYSLYQKFKEEPLFSDPSKPGGFRLRYGRSWGINPATMILVGAVVTPVTTIEGPIVKLKDGSVLRVDDYNLALKVREDVEEILYL---GDAVIAFG--------DQTLLPANYCEEWWILEFVKALKEIYEVHLEPFTENEEESIEEASDYLEIDPEFLKEMLRDPLRVKPPVELAIHFSEVLGIPLHPYYTLYWNSVEPKDVEKLWRLLKNYAEIEWSNFRGIKFAKKIVIS----QEKLGDSKRTLELLGLPHTVRDGNVIVDYPWAAALLTPLGNLNW--EFMAKPLYATIDIINEN------NEIKLRDRGISWIGKPPVQVLFPIGLAGGSSRD-----------IKKAAEEGKV---AEVEIAFFKCPKCGHVGPEHLCPNCGTRKELLWVCPRCNAEYPESQAEGYNYTCPKCNVKLRPYAKRKIRPSELLNRAMENVKVYGVDKLKGVMGMTSGWKMPEPLEKGLLRAKNDVYVFKDGTIRFDATDAPITHFRPREIGVSVEKLRELGYTHDFEGKPLVSEDQIVE---LKPQDIILSKEAGRYLLKVAKFVDDLLEKFYGLPRFYNAEKMEDLIGHLVIGLAPHTSAGIVGRIIGFVDALVGYAHPYFHAAKRRNCDGDEDAVMLLLDALLNFSRYYLPEKRGGKMDAPLVITTRLDPRYYPLEFYEATYELKSPKELVGVIERVED

General information: TITO was launched using: RESULT: Template: 5IJL.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 : 3168 18890 5.96 28.84 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 5.96 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.125

(partial model without unconserved sides chains): PDB file : Tito_5IJL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IJL-query.scw PDB file : Tito_Scwrl_5IJL.pdb: