Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKQLKVENLTKTYGEKSLFENISLTITEGERIGLIGVNGTGKSTLLQIISGSESGDKGTVTKAKDYTIGYLAQDPAFNEEDTVLAAVFDGDTAALRAMRKYEEVLLAMSLDAENTKLHDAYTAASQEMDASAAWDMNTEAKTILERLGITDLTAKISALSGGQRKRVGLAQVLIETPDLLILDEPTNHLDFQSIRWLEEYLNRFKGAVLLVTHDRYFLDRVTNHMVELDRGSAYRYVGNYEKFMESKAIRMENEVRESEKNKNLYRKELAWMRRGPQGRATKQNARQDRFHDLEKKVKIKTDDSELAIDFVTSRLGKDVFELKNLEKRFDEKQVLQDFSLIIQPGERLGITGNNGTGKSTLLNMLAGKLAPDAGEVVTGQT---------VQIGYYTQQNEEMDPDMRMIAYLQEAGEQVTT--SGGEVISVSAMLERFLFPPNSHGKKIGSLSGGEKRRLFLLRILMERPNVLLLDEPTNDLDTQTLTVLEDYLESF----NGTVITVSHDRYFLDKVVNKLLVFRAIGEVEIFYGEYSDYLKELEAKGKPAKSMKKMANTSVEKSSPEKKEKVKLTYQEQLEWDGIEDAISKLEKDIESLNETLEQTGADFTKAAEISGFITAKETELEQMMERWEFLSQYAE |
| 2IT1 Chain:A ((2-221)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWA-LYPHMTVYKNIAFPLELRKAPREEIDK-KVREVAKMLHIDK-LLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIR-EGEILQV-GTPDEV------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IT1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -107017 for 1635 contacts (-65.5/contact) +
2D Compatibility (PS) -22546 + (NN) -12095 + (LL) 31580
1D Compatibility (HY) -9600 + (ID) 2700
Total energy: -122378.0 ( -74.85 by residue)
QMean score : 0.490
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