Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSEPLEPNQDVIIPRSRDSLGRPVYKAQLTRTDNQSEKVALIRQTAPLPVIFIPGIMGTNLRNKADKSEVWRPPNGLWPMDDLFASIGALWTWAWRGPKARQELLKAEQVEVDDQGTIDVGQSGLSEEAARLRGWGKVMRSAYNPVMGLMERRLDNIVSRRELQAWWNDEALSPPGDQGEEQGKVGPIDEEELLRASRYQFDVWCAGYNWLQSNRQSALDVRDYIENTVLPFYQKECGLDPEQMRRMKVILVTHSMGGLVARALTQLHGY----ERVLGVVHGVQPATGSSTIYHHMRCGYEGIAQVVLGRNAGEVTAIVANSAGALELAPSAEYREGRPWLFLCDAQGQVLKDIDGKPRAYPQNQDPYEEIYKNTTWYGLVPEQNSQYLDMSDKKEGLRVGPRDNFEDLIDSIANFHGELSAAGYHSETYAHYGADDSRHSWRDLIWKGDPTPLETPGATLNDDENGTYNSWFRRGLPTIVQGPLETGNPLDASGSGGDETVPTDSGQAPALAGVKASFRHGSKGKGQANTKRGYEHQESYNDARAQWAALYGVIKITQLADWHPNDKGGT |
3DS8 Chain:A ((74-140)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DDWSKWLKIAMEDLKSRYG------------FTQMDGVGHSNGGLALTYYAEDYAGDKTVPTLRKLVAIGSPFNDLDPNDNGMDLSFKKLPNSTPQMDYFIKNQTEVSPDLEVLAIAGELSEDNPTDGIVPTISSLATRLFMPGSAKAYIEDIQVGEDAVHQTLHETPKSIEKTYWFLEKFKTDETVIQLDYK--------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3DS8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -24197 for 362 contacts (-66.8/contact) +
2D Compatibility (PS) -6891 + (NN) -1589 + (LL) 21376
1D Compatibility (HY) 2000 + (ID) 450
Total energy: -9751.0 ( -26.94 by residue)
QMean score : 0.423
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