Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQIEMKDIHKTFGKN-QVLSGVSFQLMPGEVHALMGENGAGKSTLMNILTGLHKADKGQISINGN-----------ETYFSNPKEAEQHGIA--FIHQELNIWPEMTVLENLFIGKEISSKLGVLQTRKMKALAKEQFDKLSVSLSLDQEAGECSVGQQQMIEIAKALMTNAEVIIMDEPTAALTEREISKLFEVITALKKNGVSIVYISHRMEEIFAICDRITIMRDGKTVDTTNISETDFDEVVKK-MVG---------RELTERYPKRTP------SLGDKVFEVKNAS---VKGSFEDVSFYVRSGEIVGVSGLMGAGRTEMMRALFGVDRLDTGEIWIAGKKTAIKNPQEAVKKGLGFITENRKDEGLLLDTSIRENIALPNLSSFSPKGLIDHKREAEFVDLLIKRLTIKTASPETHARHLSGGNQQKVVIAKWIGIGPKVLILDEPTRGVDVGAKREIYTLMNELTE-RGVAIIMVSSELPEILGMSDRIIVVHE--GRISGEIHAREATQERIMTLATGGR 3J16 Chain:B ((82-559)) ------HVTHRYSANSFKLHRL-PTPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRGSELQNYFT-KMLEDDIKAIIKPQYVDNIPR-AIKGPVQKVGELLK----LRMEKSPEDVKRYIKILQLENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVPSVYGVVTLPASVREGINIFLDGHIPAENLRFRTEALQFRIADATEDLQNDSASRAFSYPSLKKTQGDFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIP--------------KLNVSMKPQKIA---PKFPGTVRQLFFKKIRGQ------FL---NPQFQTDVVKPLRID-DIIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEGIPSKNAHARAPESLLT-----------

General information: TITO was launched using: RESULT: Template: 3J16.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2190 34128 15.58 77.21 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : 15.58 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_3J16.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J16-query.scw PDB file : Tito_Scwrl_3J16.pdb: