Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAPASTSSTGGHALATLLGNHGVEVVVADSIADVEAAARPDSLLLVAQTQYLVDNALLDRLAKAPGDLLLVAPTSRTRTALTPQLRIAAASPFNSQPNCTLREANRAGSVQWGPSDTYQATGDLVLTSCYGGALVRFRAEGRTITVVGSSNFMTNGGLLPAGNAALAM---NLAGNRPRLVWYAPDHI---EGEMSSPSSLSDLIPENVHWTIWQLWLVVLLVALWKGRRIGPLVAEELPVVIRASETVEGRGRLYRSRRARDRAADALRTATLQRLRPRLGVGAGAPAPAVVTTIAQRSKADPPFVAYHLFGPAPATDNDLLQLARALDDIERQVTHS |
4TXN Chain:B ((40-99)) | ---------------------------------------------------------------------------------------------------------------------------------------------KFVCVCGSSGRIHNFAISMAKLAG--LPVENIAGSHARFVLYKVDHILFADHGMGIPSAL------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4TXN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -647 for 270 contacts (-2.4/contact) +
2D Compatibility (PS) -5680 + (NN) -3040 + (LL) 19608
1D Compatibility (HY) -4800 + (ID) 1000
Total energy: 4441.0 ( 16.45 by residue)
QMean score : -0.042
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