Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VEREELKAIIKQIVADKLSGAETEIPIGVSNRHIHLTETDYNQLFPNEPIQVKKWLKQPGEFAAEQTLTVVSEKGELHRVRILGPLRKFSQVELSKTDARMLGMKIPIRVSGDIEGTPGIKLVSKHSEICLPKGAIVAKRHIHLPESVANEFGVKQGDEVSVLVGSEMRSLVLNHCTIRVNNQFIPEMHIDTDEANAADIAGTNFAKIIKS |
2KI8 Chain:A ((52-78)) | ------------------------------------------------------------------------------------------------------------------------------------------VNYAEINEEDWNALGLQEGDRVKVKTE---------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KI8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -11738 for 96 contacts (-122.3/contact) +
2D Compatibility (PS) -2948 + (NN) 168 + (LL) 13560
1D Compatibility (HY) -400 + (ID) 350
Total energy: -1708.0 ( -17.79 by residue)
QMean score : 0.619
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