Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTFFKKLKDKITQQTDSVSGKFKDGLSKTRGNFSGKINEMVARYRK----VDEDFFEELEEI---LIGADVGFETVMELVDTLRREVQLRNISDPKDVQEVIVEKLVEIYQGDEKEDEALHIEEDGLTVILFVGVNGVGKTTSIGKMAHRFKQEGKKVMLAAGDTFRAGAIDQLEVWGERTGVDVIKQAEGSDPAAVMFDAVQAAKARKADILLCDTAGRLQNKVNLMNELEKVKRVITREIPNAPHEVLLVLDATTGQNAFVQAKQFKETTDVTGIILTKLDGTAKGGIVIAIRNELDIPVKFVGLGEQMDDLQAFDANEYVYGLFADMVDNEK |
3NG1 Chain:B ((4-282)) | -------------------------------QLSARLQEAIGRLRGRGRITEEDLKATLREIRRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVILATVYEALKEALGGEARLPVLKD-RNLWFLVGLQGSGKTTTAAKLALYYKGKGRRPLLVAADTQRPAAREQLRLLGEKVGVPVLEVMDGESPESIRRRVEEKARLEARDLILVDTAGRLQIDEPLMGELARLKEVL------GPDEVLLVLDAMTGQEALSVARAFDEKVGVTGLVLTKLDGDARGGAALSARHVTGKPIYFAGVSEKPEGLEPF------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NG1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140536 for 2273 contacts (-61.8/contact) +
2D Compatibility (PS) -29764 + (NN) -18416 + (LL) 2672
1D Compatibility (HY) -16800 + (ID) 5000
Total energy: -207844.0 ( -91.44 by residue)
QMean score : 0.550
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