Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRVIDTHCDALYKLQAGKGKYTFQDAEELDVNFERLIEAKMLLQGFAIFLDEDI-PV-----EHKW----KKAVEQVNIFKQHVLHKGGIIHHVKKWCDLENLP-EDKIGAMLTLEGIEPIGRDLDKLTQLLDGGVLSVGLTWNNANLAADGIME--------ERGAGLTRFGKDIIHLLNERKVFTDVSHLSVKAFWETLEQAEFV-IASHSSAKAICAHPRNLDDEQIKAMIEHDAMIHVIFHPLFTTNDG--------------------------------------------------------VADIEDVIRHIDHICELGGMKNIGFGSDFDGIPDHVKGLEHAGKYQNFLETLG-KHYTKEEVEGFASRNFLNHLPK |
| 3B40 Chain:A ((22-406)) | ILSFDSRITVPLDFGTT--GNEVDKDGPGQLDLVKAGRGRLSGAALAIFGWPEMW--PHKPTPGFVDEARHQQEIRYKILTGMVRDFPNQVGIAYSPEDFRRLAMEGKFAIVMSMLNAYPLGDDLSQLDKWAARGVRMFGFSYVGNNDWADSSRPLPFFNDSPDALGGLSPLGKQAVERLNDLGVIIDVSQMSTKALEQVAALSRAPIVASHSAPRALVDIKRNLSDHEMQLIKDSGGVIQVVGFPAYLRPLSKPTLDKLDALRARFDLPPLEGLDYALMPGDPIITIWPEQRFGEYASALYGILEEEPKAGLKELVDAIDYTVKKVGIDHVGISSDFNDGGG-VDGWKDVSEIRNVTAELITRGYSDADIAKLWGGNFLRAWGE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B40.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -192575 for 2789 contacts (-69.0/contact) +
2D Compatibility (PS) -31781 + (NN) -9504 + (LL) -12
1D Compatibility (HY) -14800 + (ID) 3100
Total energy: -251772.0 ( -90.27 by residue)
QMean score : 0.440
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