Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ---MFANLKYVSLGIL----------------------VFQTTSLVLTMRYSRTLKEEGPRYLSSTAVVVAELLKIMACILLVYKDSKCSLRALNRVLHDEILNK---PMETLKLAIPSGIYTLQNN--LLYVALSNLDAATYQVTYQLKILTTALFSVSMLSKKLGVYQ-----------WLSLVILMTGVAFVQWPSDSQLDSKELSAGSQFVGLMAVLTACFSSGFAGVYFEKILKETKQS--VWIRN-IQLGFFGSIFGLM-----GVYIYDGE-LVSKNGFFQGYNRLTWIVVV-LQALGGLVIAAVIKYADNILK----------GFATSLSIILSTLISYF------------WLQDFVPTSVFFLGAILVITATFLYGYDPK-----PAGNPTKA |
| 2GSH Chain:A ((4-406)) | NIMTLPKIKHVRAWFIGGATAEKGAGGGDYHDQGGNHWIDDHIATPMSKYRDYEQSRQSFGINVLGTLIVEVEAENRQTGFAVSTAGEMGCFIVEKHLNRFIEGKCVSDIKLIHDQMLGATMYYSGSGGLVMNTISCVDLALWDLFGKVVGLPVYKLLGGAVRDEIQFYATGARPDLAKEMGFIGGKMPTHWGPHDGDAGIRKDAAMVADMREKCGPDFWLMLDCWMSQDVNYATKLAHACAPFNLKWIEECLPPQQYEGYRELKRNAPAGMMVTSGEHHGTLQSFRTLAETGIDIMQPDVGWCGGLTTLVEIAALAKSRGQLVVPHGSSVYSHHAVITFTNTPFSEFLMTSPDCSTLRPQFDPILLDEPVPVNGRIHKSVLDKPGFGVELNRDCHLKRPYSH |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GSH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -234456 for 2662 contacts (-88.1/contact) +
2D Compatibility (PS) -33529 + (NN) 5412 + (LL) 0
1D Compatibility (HY) 2000 + (ID) 1800
Total energy: -262373.0 ( -98.56 by residue)
QMean score : 0.215
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