Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGQPGHMPHGGSSNNLCHTLGPVHPPDPQRHPNTLSFRCSLADFQIEKKIGRGQFSEVYKATCLLDRKTVALKKVQIFEMMDAKARQDCVKEIGLLKQLNHPNIIKYLDSFIEDNELNIVLELADAGDLSQMIKYFKKQKRL--IPERTVWKYFVQLCSAVEHMHSRRVMHRDIKPANVFITATGVVKLGDLGLGRFFSSETTAAHSLVGTPYYMSPERIHE-NGYNFKSDIWSLGCLLYEMAALQSPFYGDKM--NLFSLCQKIEQCDYPPLPGEHYSEKLRELVSMCICPDPHQRPDIGYVHQVAKQMHIWMSST |
3RKB Chain:A ((9-237)) | -----------------------------------------MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR-----TEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEF-----LHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3RKB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -101721 for 1608 contacts (-63.3/contact) +
2D Compatibility (PS) -23064 + (NN) -8430 + (LL) 840
1D Compatibility (HY) -19600 + (ID) 4300
Total energy: -156275.0 ( -97.19 by residue)
QMean score : 0.456
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