Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLRNGSIVTEFILVGFQQSSTSTRALLFALFLALYSLTMAMNGLIIFITSWTDPKLNSPMYFFLGHLSLLDVCFITTTIP---QMLIHLVVRDHIVSFVCCMTQMYFVFCVGVAECILLAFMAYDRYVAICYPLNYVPIISQKVCVRLVGTAWFFGLINGI--FLEYISFREPFRRDNHIESFFCEAPIVIGLSCGDPQFSLWAIFADAI-----------VVILSPMVLTVTSYVHI-------LATILSKASSSGRGKTFST----CASHLTVVIFLYTSAM--------FSYMNPHSTHGPDKDKPFSLLYTIITPMCNPIIYSFRNKEIKEAMVRALGRTRLAQPQSV |
4UG2 Chain:A ((14-309)) | -------------------------------LAIAVLAILGNVLVCWAV-WLNSNLQNVTNYFVVSAAAADILVGVLAIPFAIAISTGFCAACHGCLFIAC-----FVLVLTASSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKAHSQ------------GCGEGQVA--CLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQL------------ARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTF-RKIIRSHVLR---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UG2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -252098 for 1837 contacts (-137.2/contact) +
2D Compatibility (PS) -25181 + (NN) -6506 + (LL) 5784
1D Compatibility (HY) -24400 + (ID) 2850
Total energy: -305251.0 ( -166.17 by residue)
QMean score : 0.249
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