Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMLIQKIKTYKWQALASLLMTGLMVASSLLQPRYLQEVLGALLTGKY----EVIYSIGAWLIGVAVVGLVAGGLNVVLAAYIAQGVSSDLREDAFRKIQTFSYADIEQFNAGNLVVRMTNDINQIQNVVMMTFQILFRLPLLFIGSFILAVQTLPSLWWVIVLMVVLIFGLTAVMMGMMGPRFAKFQTLLERINAIAKENLRGVRVVKSFVQEKEQFAKFTEVSDELLGQNLYIGYAFSVVEPFMMLVGYGAVFLSIWLVAGMV-QSDPSVVGSIASFVNYLSQIIFTIVMVGFLGNSVSRAMISMRRIREILDAEPAMTFKDI---PDEELVGSLSFENVTFTYPMD-KEPMLKDVSFTIEPGQMVGVVGATGAGKSTLAQLIPRLFDPQDGAIKIGGKDIREVSEGTLRKTVSIVLQRAILFSGTIADNLRQGKGN---ATLFEMERAANIAQASEFIHRMEKTFESPVEERGTNFSGGQKQRMSIARGIVSNPRILIFDDSTSALDAKSERLVQEALNKDLKGTTTIIIAQKISSVVHADKILVLNQGRLIGQGTHADLVANN-AVYREIYETQK
4AYX Chain:A ((11-574))--LGLAYPERRRLAAAVGFLTMSSVISMSAPFFLGKIIDVIYTNPTVDYSDNLTRLCLGLSAVFLCGAAANAIRVYLMQTSGQRIVNRLRTSLFSSILRQEVAFFDKTRTGELINRLSSDTALLGRSVTENLSDGLRAGAQASVGISMMFFVSPNLATFVLSVVPPVSIIAVIYGRYLRKLTKVTQDSLAQATQLAEERIGNVRTVRAFGKEMTEIEKYASKVDHVMQLARKEAFARAGFFGATGLSGNLIVLSVLYKGGLLMGSAH-MTVGELSSFLMYAFWVGISIGGLSSFYSELMKGLGAGGRLWELLEREPKLPFNEGVILNEKSFQGALEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRLMDGRTVLVIAHRLSTIKNANMVAVLDQGKITEYGKHEELLSKPNG----------


General information:
TITO was launched using:
RESULT:

Template: 4AYX.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 : 2127 -44590 -20.96 -80.93
target 2D structure prediction score : 0.73
Monomeric hydrophicity matching model chain A : 0.76

3D Compatibility (PKB) : -20.96
2D Compatibility (Sec. Struct. Predict.) : 0.73
1D Compatibility (Hydrophobicity) : 0.76
QMean score : 0.442

(partial model without unconserved sides chains):
PDB file : Tito_4AYX.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4AYX-query.scw
PDB file : Tito_Scwrl_4AYX.pdb: