Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -------------------------------------MIYDSLLDLIGGTPVIRLSKLSARLGV--SVFAKLESFNPGGSHKARIALWMILDAERKGILVRGKGQTILEPSGGNTGIGLAMAGNILGYRVSLVVPDNYSPDKRQLLELYGAHVVLSDSRKGNN---SHGELAIQILLEHPEFVMLNQQRNPANPQAHREATALEILRDFAGQPPPDFFFAGIGTGGHITGVGEVLRNHWPDMAIYGVQPE------QCDLLDDRHASHEIQGLSIGIVPEVCNLGIVTGMVGVSKSACLSMIREVLQNDSVSMGLSSAANLVAVLNMASAMPSGARVLTMIYDGVESYMDAFR----------------------------------------------------------------------------------------------------------------------------------------------------------- |
3PC3 Chain:A ((12-515)) | YERPADFIDPGKPSKCKWHLGTAEKSPHIHRGIAHRQQITPNILEVIGCTPLVKLNNIPASDGIECEMYAKCEFLNPGGSVKDRIGYRMVQDAEEQGLL--KPGYTIIEPTSGNTGIGLAMACAVKGYKCIIVMPEKMSNEKVSALRTLGAKIIRTPTEAAYDSPEGLIYVAQQLQRETPNSIVLDQYRNAGNPLAHYDGTAAEILWQLDN--KVDMIVVSAGTAGTISGIGRKIKEQVPSCQIVGVDPYGSILARPAELNKTDVQFYEVEGIGYDFPPTVFDDTVVDVWTKIGDSDCFPMSRRLNAEEGLLCGGSSGGAMHAALEHARKLKKGQRCVVILPDGIRNYMTKFVSDNWMEARNFKEPVNEHGHWWWSLAIAELELPAPPVILKSDATVGEAIALMKKHRVDQLPVVDQDDGSVLGVVGQETLITQIVSMNRQQSDPAIKALNKRVIRLNESEILGKLARVLEVDPSVLILGKNPAGKVELKALATKLDVTTFIAAGKQK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PC3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -179879 for 2804 contacts (-64.2/contact) +
2D Compatibility (PS) -32952 + (NN) -14954 + (LL) 272
1D Compatibility (HY) -22000 + (ID) 5100
Total energy: -254613.0 ( -90.80 by residue)
QMean score : 0.529
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