Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEKDGLCRADQQYECVAEIGEGAYGKVFKARDLKNGGRFVALKRVRVQTGEEGMPLSTIREVAVLRHLETFEHPNVVRLFDVCTVSRTDRETKLTLVFEHVDQDLTTYLDKVPEPGVPTETIKDMMFQLLRGLDFLHSHRVVHRDLKPQNILVTSSGQIKLADFGLARIYSFQMALTSVVVTLWYRAPEVLLQSSYATPVDLWSVGCIFAEMFRRKPLFRGSSDVDQLGKILDVIGLPGEEDWPRDVALPRQAFHSKSAQPIEKFVTDIDELGKDLLLKCLTFNPAKRISAYSALSHPYFQDLERCKENLDSHLPPSQNTSELNTA |
3NUX Chain:A ((10-301)) | ---------DQQYECVAEIGEGA-GKVFKARDLKNGGRFVALKRVR--------PLSTIREVAVLRHLETFEHPNVVRLFDVC--------TKLTLVFEHVDQDLTTYLDKVPEPGVPTETIKDMMFQLLRGLDFLHSHRVVHRDLKPQNILVTSSGQIKLADFGLA-------------VTLWYRAPEVLLQSSYATPVDLWSVGCIFAEMFRRKPLFRGSSDVDQLGKILDVIGLPGEEDWPRDVALPRQAFH-KSAQPIEKFVTDIDELGKDLLLKCLTFNPAKRISAYSALSHPYFQ------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NUX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181187 for 2038 contacts (-88.9/contact) +
2D Compatibility (PS) -27454 + (NN) -13305 + (LL) 4048
1D Compatibility (HY) -39600 + (ID) 13050
Total energy: -270548.0 ( -132.75 by residue)
QMean score : 0.806
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