Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VAKRRKKPQEEHVDETWLIPYSDLLTLLLALFIVLFASSSVDAKKFEQMGNAFKKIVEEGAAGNQAYVSKEKGPDDPNVNAVLKAMEEQDKKKEANEQEKAKKAAAALLKKQNEEKIEAFKKQIDSYIAAENLGTKMTTKYSDEGLLITIRDDILFQSGSAE-LSAGKREIAKEIGELFAQGKGTMEGIVSGHTDNVPISTSIYSSNWELSVARAVNFMEAIIQENSEVNPGEFSARGYGEFRPVAKNDIAANREKNRRVEIMVRPINRDTLDEDE-------- |
3CYP Chain:B ((119-251)) | -----------------------------------------------------------------------------------------------------------------------------------------------------GIDPFTFENATSDAINQDMMLYIERIAKIIQKLPKRVHINVRGFTDDTPLF----KSHYELAANRAYRVMKVLIQYG--VNPNQLSFSSYGSTNPIAPNDSLENRMKNNRVEIFFSTDANDLSKIHSILDNEFNP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CYP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 13271 for 890 contacts (14.9/contact) +
2D Compatibility (PS) -13259 + (NN) -8191 + (LL) 12048
1D Compatibility (HY) -6400 + (ID) 1750
Total energy: -4281.0 ( -4.81 by residue)
QMean score : 0.387
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