Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MSKKVTDTVQEMAQPIVDSLQLELVDIEFVKEGQSWFLRVFIDSDDGVDIEECAKVSEALSEKLDEADPISQNYFLEVSSPGAERPLKKKADFE---KSLGKNV------YIKTYEPIDGVKVFEGELAEFDGQTVTVEITIKTRKKRINIPYEKI--ANARLAVTF-------------------------------------------- 3WAJ Chain:A ((15-868)) SVLVIAALISVKLRILNPWNSVFTWTVRLGGNDPWYYYRLIENTIHNFPHRIWFDPFTYYPYGSYTHFGPFLVYLGSIAGIIFSATSGESLRAVLAFIPAIGGVLAILPVYLLTREVFDKRAAVIAAFLIAIVPGQFLQRSILGFNDHHIWEAFWQVSALGTFLLAYNRWKGHDLTARQMAYPVIAGITIGLYVLSWGAGFIIAPIILAFMFFAFVLAGFVNADRKNLSLVAVVTFAVSALIYLPFAFNYPGFSTIFYSPFQLLVLLGSAVIAAAFYQIEKWNDVGFFERVGLGRKGMPLAVIVLTALIMGLFFVLTNAVLHFGALFFFGMAGILYSAYRFLKRRSFPEMALLIWAIAMFIALWGQNRFAYYFAAVSAVYSALALSVVFDKLHFRVAFALLIALAAIYPTYILADAQSSYAGGPNKQWYDALTWMRENTPDGEKYDEYYLQLYPTPQSNKEPFSYPFETYGVISWWDYGHWIEAVAHRMPIANPFQAGIGNKYNNVPGASSFFTAENESYAEFVAEKLNVKYVVSDIEMETGKYYAMAVWAEGDLPLAEKYYGGYFYYSPTGTFGYANSQWDIPLNSIIIPLRIPSELYYSTMEAKLHLFDGS---GLSHYRMIYE--SDYPAEWKSYSSQVNLN---NESQVLQTALYEAVMRAR--YGVSPTMGTQEVLYKYAYTQLYEKKMGIPVKIAPSGYVKIFERVKGAVVT-GKVSA-NVTEVSVNATIKTNQNRTFEYWQTVEVKNGTYTVVLPYSHNSDYPVKPITPYHIKAGNVVKEITIYESQVQNGEIIQLDL

General information: TITO was launched using: RESULT: Template: 3WAJ.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 : 510 -15789 -30.96 -109.65 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.44 3D Compatibility (PKB) : -30.96 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.44 QMean score : 0.216

(partial model without unconserved sides chains): PDB file : Tito_3WAJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WAJ-query.scw PDB file : Tito_Scwrl_3WAJ.pdb: