Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKN------RELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSY---ICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFK--FPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST |
| 2WPA Chain:A ((8-297)) | ------------------------------------------------------NFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENK------LYLVFEFLHQDLKKFMD--ASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAI-KLADFGLARAF--GVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPD-EVVWPGVTSMPDYKPSFPKWARQDFSKVV-PPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKP-------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WPA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178407 for 2169 contacts (-82.3/contact) +
2D Compatibility (PS) -29681 + (NN) -13977 + (LL) 5732
1D Compatibility (HY) -29200 + (ID) 5050
Total energy: -250583.0 ( -115.53 by residue)
QMean score : 0.682
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