Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQTTPAVRTFQDLILALQNYWAEQGCVVLQPYDMEVGAGTFHTATFLRAIGPETWNAAYVQPSRRPTDGRYGENPNRLQHYYQFQVVL-----KP-NPENFQELYLGSLKAIGIDPLVHDIRFVED----NWESPTLGAWGLGWEIWL--------------NGMEVTQFTYFQ-QVG-GIECYPVTGEITYGLERLAMYLQGVDSVYDLVWTDGPFGKVTYGDVFHQNEVEQSTFNFEHANVPKLFELFDFYESEANRLIALELPLPTYEMVLKASHTFNLLDARRAISVTERQRYILRVRTLARAVAQSYLQARARLGFPMATPELRDEVLAKLKEAE |
2DU3 Chain:A ((203-341)) | ----------------------------------------------------PLPIKLFSIDRCFRREQGEDA------TRLYTYFSASCVLVDEELSVDDGKAVAEALLRQFGFE----NFRFRKDEKRSKYYIP-----DTQTEVFAFHPKLVGSSTKYSDGWIEIATFGIYSPTALAEYDIPYPVMNLGLGVERLAMILYGYDDVRKMVYPQIHGEIKLSDLDIAREIKVKEVPQTAVGLKIAQSIVETAEKHASEPSPCSFLAFEGEMMGRNVRVYVVEEEENTKLCGPAYANEVVVYKGDIYGIPKTKKWRSFFEEGVPTGIRYIDGFAYYAARKV |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DU3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -46358 for 671 contacts (-69.1/contact) +
2D Compatibility (PS) -12403 + (NN) -5042 + (LL) 4972
1D Compatibility (HY) -5600 + (ID) 1100
Total energy: -65531.0 ( -97.66 by residue)
QMean score : 0.291
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