Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRMIVRMTLPLLIVCLAFSSFSASARAASEEKYWDHWIERHAQPLDASN--ASNKDLRFLKKVLKGKRIVQLGETTHGAGEINATKVRMIKYLHEELGYDVLAFESGFPDTNASYLNMDQLTPKSTMKNSIYAVWHTEDVVELFDYMKE----QKEKGDPLILTGFDIQSMKNSFNVAATQWVKAVDPEKAELLSQSENDFSTLV---TDSNTFDEFSQKKEKLVKNYQKLIKFTKTHASELKENLPKEPKAYEMFMHSLQLRIDVMETYMLEEMKEKLEEYPENIEDFSFFMRDRMMAEQFQWVADTLYPKKKIIVWGHNYHLRKQNTKMIKDWVQLNGPNM-GDYLPERLKKQTYTIGIYAYSGASLDSSDNKTVKPVTSPPPSGSLEALLKAADRPAVFVDFLHTKNKKGTSWMYTPRTALYWGYMEEQMILKEQYDGVIWLEHITPSVIIK 3B55 Chain:A ((45-346)) -------------------------------------WLEAHAKPLKTTNPTASLNDLKPLKNMVGSASIVGLGEATHGAHEVFTMKHRIVKYLVSEKGFTNLVLEEGW--DRALELDRYVLTGKGNPSQHLTPVFKTKEMLDLLDWIRQYNANPKHKSKVRVI-GMDIQSVNENVYNNIIEYIKA---NNSKLLPRVEEKIKGLIPVTKDMNTFESLT-KEEK-----EKYVLDAKTISALLEEN-----KSY-LNGKSKEFAWIKQNARIIEQFTTMLATPPDKPADF-YLKHDIAMYENAKWTEEHL---GKTIVWGHNGHVSKTNM------LSFIYPKVAGQHLAEYYGKRYVSIGTSVYEG-----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3B55.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 : 1360 -100679 -74.03 -344.79 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -74.03 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_3B55.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B55-query.scw PDB file : Tito_Scwrl_3B55.pdb: