Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -------------------MKVKLFAIHLFFIVISFGIKYYHLQ-------GPNLIWNMTLALI-ALDFAYLTSLFKKKILIGLFALAWFFFYPNTFYMLTDIIHMHFVGDVLY----------------------------NKTNLILYILYVSS----ILFGFLSGIESFSVIMRKFRISNIFLRW------GIIGIVSF------------VSSFGIHIG------RYARLNSWDILTKPQVVINELLAVPSRDSFHFILGFTFLQVLCLIFMDYSAGK-KLEK-------- |
4AKS Chain:A ((514-851)) | KVALHPHDLDERIPGLADLHNQTLGDPQITIVIIDGDPDYTLSCFEGAEVSKVFPYWHEPAEPITPEDYAAFQSIRDQGLKGKEKEEALEAVIPDTKDRIVLNDHACHVTSTIVGQEHSPVFGIAPNCRVINMPQDAVIRVMSPLNLARAIDLALELGANIIHCAFCEEILVQAIKKCQDNNVLIVSPTGNVLPGTLAVGAAKVDGTPCNTKEGILAPGEEILGAQPCTEEPVRLTGTSMAAPVMTGISALLMSLQVQQGKPVDAEAVRTALLKTAIPLRGFVNIPGAMKVLFGQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AKS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -195808 for 1451 contacts (-134.9/contact) +
2D Compatibility (PS) -20816 + (NN) -1146 + (LL) 0
1D Compatibility (HY) 8800 + (ID) 1250
Total energy: -210220.0 ( -144.88 by residue)
QMean score : 0.241
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