Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDQQLDQHELQQEENKLIAQRKEKLAAVREARAIAFPNDFRRDAYFADLQKQYADKTKEELEAAAIPVKVAGRIMLNRGSFIVLQDSSERLQVYVNRKTLPEETLAEIKTWDLGDIIGAEGVLARSGKGDLYVDMTSVRLLTKSLRPLPDKHHGLTDTEQRYRQRYVDLMVNEETRHTFRVRSQVIAHIRRFLSERGFLEVETP-MLQTIPGGAAAKPFETHH--NALDMAMFLRIAPELYLKRLVVGGFEKVFEINRNFRNEGVSTRHNPEFTMLEFYQAYADYEDNMDLTEELFRELAQSVLGTTDVPYGDKVFHFGEPFVRLSVFDSILKYNPEITAADLNDVEKARAIAKKAGAKVL-GHEGLGKLQVMIFEELVEHKL--EQPHFITRYPFEVSPLARRNDEDPSVTDRFELFIGGREIANAYSELNDAEDQAERFMLQVKEKDAGDDEAMHYDADFINALEYGMPPTAGEGIGIDRLVMLLTNSPSIRDVILFPHMRPQA |
3G1Z Chain:A ((20-321)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RAAIMAEIRRFFADRGVLEVETPCMSQATVTDIHLFPFETRFVG-SQGINLYLMTSPEYHMKRLLAAGCGPVFQLCRSFRNEEMGRHHNPEFTMLEWYRPHYDMYRLMNEVDDLL----QQVLDC-------------QPAESLS-YQQAFQRHLEIDPLSADKTQLREAAAKLDLSNIADTEEDRDTLLQLLFTMGVEPHIGKEKPTFIYHFPASQASLAQISTEDHRVAERFEVYYKGIELANGFHELTDAREQQQRFEQDNRKRAAR-LPQQPIDQNLLDALAAGLPDCSGVALGVDRLVMLALGAESLADVIAF------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3G1Z.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -84186 for 2302 contacts (-36.6/contact) +
2D Compatibility (PS) -31558 + (NN) -14963 + (LL) 15652
1D Compatibility (HY) -18400 + (ID) 5300
Total energy: -138755.0 ( -60.28 by residue)
QMean score : 0.398
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