Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAKAIDYRTRLSDFMTEHVFGAEADYDDYRRAAGPADHTAPPIIEELKTKAKDRGLWNLFLSA---ESGLTNLEYAPLAEMTGWSMEIAPEALNCAAPDTGNMEILHMFGTEQQRAQWLRPLLDGKIRSAFSMTEPAVASSDARNIETTISRDGADYVINGRKWWTSGAADPRCKILIVMGRTNPD-AAAHQQQSMVLVPIDTPGVTIVRSTPVFGWQDRHGHCEIDYHNVRVPATNLLGE-EGSGFAIAQARLGPGRIHHCMRALGAAERALALMVNRVRNRVAFGRPLAEQGVVQQAIAQSRNEIDQARLLCEKAAWTIDQHGNKEARHLVAMIKAVAPRVACDVIDRAIQVHGAAGVSDDTPLARLYGWHRAMRIFDGPDEVHLRSIARAELSREKSTFAAAVT |
4IV6 Chain:A ((7-387)) | LTAEEETIVKTVHDFVEKQVKPVVRELEHA-----------NTYPEELIETMKEIGIFGLAIPEPYGFGAVSMPCYVQVAEELARGWMSLAGA---MGGHTVVSKLLLLFGTEEQKQKYLPRMATGELRATMALTEPG-GGSDLQAMRTVARRDGDDYVINGSKTWISNARR--SDLVALMCKTDPDAQPAHKGVSILLVEK-VPGFDVSRDLPKLGYKG-VESCELNFTDARVPVSSLLGDDEGRGFAQMMKGLEVGRLQVAARATGVARAAFEDALRYSQERESFGKPIWQHQSVGNMLADMGTKLYAARSLLLSAAEKFDAGQ--RCDMEAGMAKLFASETAMQIALDAVRVHGGYGYSTEYDVERYFRDAPLMIVGEGTNEIQRNVIAKQLVARGGLD------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IV6.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -158872 for 3292 contacts (-48.3/contact) +
2D Compatibility (PS) -40661 + (NN) -19601 + (LL) 1604
1D Compatibility (HY) -16000 + (ID) 5350
Total energy: -238880.0 ( -72.56 by residue)
QMean score : 0.428
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