Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRKQFIKLGIATLLTVISLYTPINLATNHTTENIVTAQEYKTKENGTLPFKHKRQLVLGELDDKGRATFAHIQLKVKDEPKKKRVKRLKTTPVGWHNFKFYYNDGTQKAWLMSRGRLICHQFSGLN------NERKNLVPMTNWLNTGNYNSTNSSNPESMLFYEK-QLKTWLSTHKNYYLDYKVTPIYQNNELIPRKIELKYVGIDKTGKLLPIFIGNKSTQDQFGISTVTLENTSPNATIDYLSGKAQNTVLSAKEQRKLIAKHEEEKRLAEKKVEEEKAAAETQKKLEEEQARLAAEAQRKQKEEQARLAAETQKKQETLVQEQTSQGYKRDYRGRWHRPNGQYASKAEIAAAGLQW |
3NKQ Chain:A ((634-702)) | --------------------------------------------------------------------------------------------------------------KQMSYGFLFPPYLSSSPEAKYDAFLVTNMVPMYPAFKR------------VWTYFQRVLVKKYASE--RNGVNVISGPIFDYNYNGLRDIEDEIKQYVEGSSIPVPTHYYSIITSCLDFTQPADKCDGPLSVSSFILPHRPDNDESCNSSEDESKWVEELMKMHTARVRDIEHLTGLDFYRKTSRSYSEILTLKTYLHTYE-------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NKQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -14175 for 302 contacts (-46.9/contact) +
2D Compatibility (PS) -6455 + (NN) 535 + (LL) 10256
1D Compatibility (HY) -2800 + (ID) 700
Total energy: -13339.0 ( -44.17 by residue)
QMean score : 0.284
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