Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNGKQVMVGGLSLLLVGAGLGAFGSTAQAATDDASVMPDISNKQVLVGYWHSWKSSGKDGYQQGTSADIALKDTPKAYNVVDVSFMKGDGVNRIPTFKPVGINDSDFRAQVGALNKEGRAVLLALGGADGHVEL-KAGDEEAFANEIIRQVETYGFDGLDIDLEQSAITAGDNKTV----------IPAALKIVKDHYKAEGKNFLITMAPEFPYLKPG-SAYES----YLTSLANYYD---YIAPQLYNQG-GDGVWVDETNQWIAQNNDTLKESFLYYMADSFINGTRGYLKIPANKFVFGLPANVDAAATGYVTDPQIVKNVFTRLQAKGTP---------------VKGIMTWSVNWDAGKNKAGVPYNNSFSNAYGPIVGTK |
3N1A Chain:A ((7-322)) | -------------------------------------------KLLVGYWHN--------FDNGTGI-IKLKDVSPKWDVINVSFGETGGDRSTVEFSPVYGTDADFKSDISYLKSKGKKVVLSIGGQNGVVLLPDNAAKDRFINSIQSLIDKYGFDGIDIDLGSGIYLNGNDTNFKNPTTPQIVNLISAIRTISDHY---GPDFLLSMAPETAYVQGGYSAYGSIWGAYLPIIYGVKDKLTYIHVQHFNAGSGIGMDGNNYNQGTADYEVAMADMLLHGFPVGG-NANNIFPALRSDQVMIGLPAAPAAAPSGGYISPTEMKKALNYI-IKGVPFGGKYKLSNQSGYPAFRGLMSWSINWDA-KN------NFEFSNNY------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3N1A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -120086 for 2303 contacts (-52.1/contact) +
2D Compatibility (PS) -29751 + (NN) -11797 + (LL) 2504
1D Compatibility (HY) -21600 + (ID) 5200
Total energy: -185930.0 ( -80.73 by residue)
QMean score : 0.468
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