Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEV-------SYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQ------DKRFKNRELQIMRKLDHCNIVRLRYFFYSSGE-KKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLL-----------GQPIFPGDS-------GVDQLVEIIKVLGTPTREQIREMNPNYTE---FKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST |
3N9X Chain:A ((11-374)) | ---------------------------------------------RENLYFQGIKNVHVPDNYIIKHLIGRGSYGYVYLAYDKNTEKNVAIKKVNRMFEDLIDCKRILREITILNRLKSDYIIRLYDLIIPDDLLKFDE--LYIVLEIADSDLKKLF----KTPIFLTEEHIKTILYNLLLGENFIHESGIIHRDLKPANCLLNQD-CSVKVCDFGLARTI--------HVVTRWYRAPELILLQENYTKSIDIWSTGCIFAELLNMLQSHINDPTNRFPLFPGSSCFPHEKSNRDQLNIIFNIIGTPTEDDLKNINKPEVIKYIKLFPHRKPINLKQKY-PSISDDGINLLESMLKFNPNKRITIDQALDHPYLKDVRKKKLE----------------------------------------------------------------------- |
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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) -177605 for 2187 contacts (-81.2/contact) +
2D Compatibility (PS) -30976 + (NN) -20070 + (LL) 5016
1D Compatibility (HY) -25200 + (ID) 5050
Total energy: -253885.0 ( -116.09 by residue)
QMean score : 0.694
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