Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRSETLFNNAQKHIPGGVNSPVRAFKSVGGTPLFFKHAEGAYVLDEDDKRYVDYVGSWGPMILGHSHPDVLDAVRRQ---LDHGLS-YGAPTALEVEMADLVCSMVPSMEMVRMVSSGTEATMSAIRLARGYTG------RDSIIKFEGCYHGHSDSLLVKAGSGALTFGVPNSPGVPAAFAKHTLTLPFNDIEAVRKTLGEVGKEVACIIVEPVAGNMNCVPPAPGFLEGLREACDEHGVVLIFDEVMTGF-RVALGGAQAYYGVTPDLSTFGKIIGGGMPVGAFGGKREIMQQISPLGPVYQAGTLSGNPLAMAAGLTTLRLISRPGFHDELTAYTTRMLDGLQQRADAAGIPFVTTQAGGMFGLYFSGADAIVTFEDVMASDVERFKRFFHLMLDGGVYLAPSAFEAGFTSIAHGDKELEITLNAAEKAFAALK |
4JF1 Chain:A ((47-320)) | ---------------------------------------KGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEALKSQGETLWHTSNVFTNEPALRLGRKLIDATFA---ERVLFMNSGTEANETAFKLARHYACVRHSPFKTKIIAFHNAFHGQSLFTVSVGGQPKYSDGFGPKPA-------DIIHVPFNDLHAVKAVMDD---HTCAVVVEPIQGEGGVQAATPEFLKGLRDLCDEHQALLVFDEVQCGMGRTGDLFAYMHYGVTPDILTSAKALGGGFPVSAMLTTQEIA---SAF------STYGGNPLACAVAGATFDIINTP------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JF1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -134826 for 2243 contacts (-60.1/contact) +
2D Compatibility (PS) -28611 + (NN) -15221 + (LL) 10996
1D Compatibility (HY) -14800 + (ID) 4700
Total energy: -187162.0 ( -83.44 by residue)
QMean score : 0.543
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