Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNQQLIEALKSKEDKMIEIRRYLHQHPELSFHEDETAKYIAEFYKGKDVEVET-N-----V-GPRGIKVTIDSGKP-GKTLAIRADFDALPITEDTGLSFASQN-KGVMHACGH-------DAHTAYMLVLAETLAEMKDSFTGKVVVIHQPAEEVPPGGAKAMIENGVLDGVDHVLGVHVMSTMKTGNVYYRPGYVQTGRAFFKLKVQGKGGHGS-SPHMANDAIVAGSYFVTALQTVVSRRLSPFETGVVTIGSFDGKG-QFNVIKDVVEIEGDVRGLTDATKATIEKEIKRLSKGLEDMYGVTCTLEYNDDYPALY--NDPEFTEYVAKTLKEANLDFGVE-MCEPQPPSEDFAYYAK-ERPSAFIYTGAAVEDGEIYPHHHPKFNISEKSLLISAEAVGTVVLDYLKGDN |
3GB0 Chain:A ((3-372)) | ----------INQERLVNEFMELVQVDSETKFEAEICKVLTKKFTDLGVEVFEDDTMAVTGHGAGNLICTLPATKDGVDTIYFTSHMDTVVPG----NGIKPSIKDGYIVSDGTTILGADDKAGLASMFEAIRVLKEKNI-PHGTIEFIITVGEESGLVGAKALDRERI--TAKYGYALDSDG--KVGEIVVA----APTQAKVNAIIRGKTAHAGVAPEKGVSAITIAAKAIAKMPLGRI-----DSETTANIGRFEG-GTQTNIVCDHVQIFAEARSLINEKMEAQVAKMKEAFETTAKEMGGHADVEVNVMYPGFKFADGDHVVEVAKRAAEK----IGRTPSLHQSGGGSDANVIAGHGIPTVNL--AVGY-----EEIHTTNEKIPVEELAKTAELVVAIIEEVA---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GB0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -124844 for 2963 contacts (-42.1/contact) +
2D Compatibility (PS) -37533 + (NN) -18777 + (LL) 1928
1D Compatibility (HY) -3600 + (ID) 3300
Total energy: -186126.0 ( -62.82 by residue)
QMean score : 0.445
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