Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLIGYFAYKRTSNLTDYMLGGRSLGPAVTALSAGAADMSGWLLMGLPGAMFSTGLSGAWIVIGLCLGAWANWLYVAPRLRTYTEKAGNSITIPGFLENRFGDQTKLLRLFSGIVILVFFTFYVSSGMVSGGVLFNSILGMDYHTGLWIVTGVVVAYTLFGGFLAVSWTDFVQGIIMFAALILVPIVTFFHTGGAGDTVAEIRSVDPDMFNIFKGTSVLGIISLFAWGLGYFGQPHIIVRFMAITSVKEIKRARRIGMGWMILSAVG--AVLTGLGGIAYYHQRGMTLKDPETIFI----QLGNILFHPIITGFLISAILAAIMSTISSQLLVTSSSLVEDLYKSMFRRSASDKELVFLGRLAVLAVSIVALVLAWEKNNTILGLVSYAWAGFGASFGPVVLLSLFWKRMTKWGALAGMIVGAATVIIWANAGLSDFLYEMIPGFAASLLSVFFVSILTQAPSQAVTDQFNDYQDTMSQ 1A6Q Chain:A ((2-368)) ----GAFLDKPKMEKHNAQGQGNG-------LRYGLSSMQGWRVEMEDAHTAVIGLPSG----------LESWSFFA----VYDGHAGS--QVAKYCCEHLLDHITNNQDFKG----------------SAGAPSVENVKNGIRTGFLEIDEHMRVMSEKKHGADRS------GSTAVGVLISPQHTYFINCGDS--------------------------RGLLCRN----RKVHFFTQDHKPSNPLEKERIQNAGGSVMIQRVNGSLAVSRALGDFDYKCVHG---KGPTEQLVSPEPEVHDIERSEEDDQFIILAC-DGIWDVMG----------NEELCDFVRSRLEVTDD------LEKVCNEVVDTCLYKGSRDN-MSVILICFPN-----APKVSPEAVKKEAELDKYLECRVEEIIKGVPDLVHVMRTLASENIPSLPPG--------GELASKRNVIEAVYNRLNPY---

General information: TITO was launched using: RESULT: Template: 1A6Q.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 : 2036 -246176 -120.91 -689.57 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -120.91 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.249

(partial model without unconserved sides chains): PDB file : Tito_1A6Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1A6Q-query.scw PDB file : Tito_Scwrl_1A6Q.pdb: