Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAKAIDYRTRLSDFMTEHVFGAEADYDDYRRAAGPADHTAPPIIEELKTKAKDRGLWNLFLSA---ESGLTNLEYAPLAEMTGWSMEIAPEALNCAAPDTGNMEILHMFGTEQQRAQWLRPLLDGKIRSAFSMTEPAVASSDARNIETTISRDGADYVINGRKWWTSGAADPRCKILIVMGRTNPDA-AAHQQQSMVLVPIDTPGVTIVRSTPVFGWQDRHGHCEIDYHNVRVPATNLLGEEGSGFAIAQARLGPGRIHHCMRALGAAERALALMVNRVRNRVAFGRPLAEQGVVQQAIAQSRNEIDQARLLCEKAAWTIDQHGNKEARHLVAMIKAVAPRVACDVIDRAIQVHGAAGVSDDTPLARLYGWHRAMRIFDGPDEVHLRSIARAELSREKSTFAAAVT |
2PG0 Chain:A ((10-383)) | LREEHHMFRAAFRKFLEKEAYPHYNDWEKR-----------GIIPRSFWAKMGENGFLCPWVDEKYGGLNADFAYSVVINEELEKVGSSLVG---IGLHNDIVTPYIASYGTEEQKQKWLPKCVTGELITAIAMTEPG-AGSDLANISTTAVKDGDYYIVNGQKTFITNGIH--ADLIVVACKTDPQAKPPHRGISLLVVERDTPGFTRGRKLEKVGLHA-QDTAELFFQDAKVPAYNLLGEEGKGFYYLMEKLQQERLVVAIAAQTAAEVMFSLTKQYVKQRTAFGKRVSEFQTVQFRLAEMATEIALGRTFVDRVIEEHMAGK--QIVTEVSMAKWWITEMAKRVAAEAMQLHGGYGYMEEYEIARRYRDIPVSAIYAGTNEMMKTIIARQL------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PG0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170567 for 3162 contacts (-53.9/contact) +
2D Compatibility (PS) -40234 + (NN) -21649 + (LL) 2208
1D Compatibility (HY) -13600 + (ID) 4850
Total energy: -248692.0 ( -78.65 by residue)
QMean score : 0.470
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