Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGGGPSGGGPGGSGRARTSSFAEPGGGGGGGGGGPGGSASGPGGTGGGKASVGAMGGGVGASSSGGGPGGSGGGGSGGPGAGTSFPPPGVKLGRDSGKVTTVVATLGQGPERSQEVAYTDIKVIGNGSFGVVYQARLAETRELVAIKKVLQ------D-KRFKNRELQIMRKLDHCNIVRLRYFFYSSGE-KKDELYLNLVLEYVPETVYRVARHFTKAKLTIPILYVKVYMYQLFRSLAYIHSQGVCHRDIKPQNLLVDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLL-----------GQPIFPGDS-------GVDQLVEIIKVLGTPTREQIREMNPNY-TEF--KFPQIKAHPWTKVFKSRTPPEAIALCSSLLEYTPSSRLSPLEACAHSFFDELRCLGTQLPNNRPLPPLFNFSAGELSIQPSLNAILIPPHLRSPAGTTTLTPSSQALTETPTSSDWQSTDATPTLTNSS |
3N9X Chain:A ((27-374)) | ---------------------------------------------------------------------------------------------------------------------NYIIKHLIGRGSYGYVYLAYDKNTEKNVAIKKVNRMFEDLIDCKRI-LREITILNRLKSDYIIRLYDLIIPDDLLKFDELY--IVLEIADSDLKKLFK----TPIFLTEEHIKTILYNLLLGENFIHESGIIHRDLKPANCLLNQD-CSVKVCDFGLARTI--------HVVTRWYRAPELILLQENYTKSIDIWSTGCIFAELLNMLQSHINDPTNRFPLFPGSSCFPHEKSNRDQLNIIFNIIGTPTEDDLKNINKPEVIKYIKLFPHRKPINLKQKYP-SISDDGINLLESMLKFNPNKRITIDQALDHPYLKDVRKKKLE----------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3N9X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -205240 for 2141 contacts (-95.9/contact) +
2D Compatibility (PS) -29688 + (NN) -12744 + (LL) -2884
1D Compatibility (HY) -26400 + (ID) 5050
Total energy: -282006.0 ( -131.72 by residue)
QMean score : 0.403
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