Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKISKFVFLFLFCLGFNLQASGTLNIEEVITRKGFKFLFVENCDLPKVSLNISFKDAGYAYENVEKQGLTWFTSLAIQEGAGKNDAKDFAKKLEDKGISLNFIAGLEAFRASLNTLSENLEEAVSLLSDAIMHPKVDLEGLNRA-FEKAKVNFNNLEKDPYFIAGKELNTLLFKKHPYSKSEYGILDTIMSITRDDVLAYVKRNFTKDNIVISVVGCTTKEEVSALLDKY-LSKLPLKRSKVRKIPVKNNFGPAESKNIFMDIPQSVIFFAQKGIAYEDPDYYSASVLINALGGMGLNSILMKELRQNLGITYGVFAHIIPNKHGNAIVGNMSTDSSTAGKAILAVKDTLSRIKREGIDEQLFKDAKTILVNNLTFFLSNNTNTAMLLDDMQINDRDVNRINNYADIINDVKLEKVNELASSLLDPENLFFVKVGRNT |
3CX5 Chain:B ((1-343)) | ----------------------------------LTVSA-RDAPTKISTLAVKVH-GGSRYAT--KDGVAHLLNRFNFQNTNTRSALKLVRESELLGGTFKSTLDREYITLKATFLKDDLPYYVNALADVLYKTAFKPHELTESVLPAARYDYAVAEQCPVKSAEDQLYAITFR-KGLGNPLLY--DGVERVSLQDIKDFADKVYTKENLEVSG-ENVVEADLKRFVDESLLSTLPAGKSLVSKSEPKFFLGEEN-RVRF--IGDSVAAIGIPVNK---ASLAQYEVLANYLTS-----AL----SELSGLISSAKLDK--FTDGGLFTLFVRDQ--DSAVVSSNIKKIVADLKK----GKDLSPAINYTKLKNAVQNESVSSPIE-------------------LNFDAV---------KD-FKLGKFNYVAVGDVS |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CX5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -110815 for 2819 contacts (-39.3/contact) +
2D Compatibility (PS) -36168 + (NN) -10557 + (LL) 7144
1D Compatibility (HY) -4800 + (ID) 2750
Total energy: -157946.0 ( -56.03 by residue)
QMean score : 0.448
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