Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKKVLTFLLCSLYFVSIPAISTEEPLTLSQNRRYALTQTVVDKEMYFDAIPERPTTKIEISSFQDEALTITGETLVPNTLLSIVSLTINSNGIPVFTLSNGQFIKASREAIFNDLVSKQQSVSLDYWLKPSFVTYEAPYTNGVSEVKNNLKPYSRVHLVEQAETEHGIYYKTDSGFWISVEDLSVADNRMAKVQEVLLEKYNKDKYGIYIKQLNTQTVAGINIDRSMYSASIAKLATLYASQEQVKLGKLSLDSKFEYKDNVNQFPNSYDPSGSGKLEKKADHKLYTVKELLEATAKESDNVATNMLGYYVNNQYDSMFQTQVDTISGM------H--------W-DMKKRQISPQAAGKMMEAIYYQN-------GDIVNYLSKTDFDNTRIPKNIP--VKVAHKIGDA--YDYKHDAAIVYA-EQ-PFIMIIFTDKSS------YDDITKIADDVYQVLK |
| 3C5A Chain:A ((6-264)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EPFAKLEQD--FGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQAGLLDTPIRYGKNAL-------VPWSPISE-KYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGP--AGLTAFMRS-IGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHSEAVIAAAARLALEGLG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C5A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -90200 for 1936 contacts (-46.6/contact) +
2D Compatibility (PS) -24024 + (NN) -7202 + (LL) 14080
1D Compatibility (HY) -2800 + (ID) 2250
Total energy: -112396.0 ( -58.06 by residue)
QMean score : 0.415
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