Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLRPASPRNEILATLGRFRPALRSVALFTAVINLLMLAPSLYMLQVYDRVLGSGNHMTLLMLTLMVLGLYLLLGALEWVRSLVVIRLGGQLDMQLNQRIYDASFRASLERGEQAAGQALNDLTSLRQFLTGNALFAFFDAPWFPLYLLVIFLFSPWLGLLALAGALLLVLLAWVNESRSREPLAEAGQLSILATQQASANLRQAETLAAMGMLPAMRARWFAQHQAFLARQNLGSERSAAIGATSKGVRLALQSLVLGLGAWLAVDGLITPGMMIAGSILMGRVLSPIDQLIAVWRQWSGARQAYQRLARLLEENPPAALGMPLPAPRGALRVERLCAAAPGREQALLQDLGFALEPGEALGVIGPSGSGKSTLARLLVGAWQPLSGAVRLDGADLRQWSAAALGPHIGYLAQDVQLFAGSIAENI--ARFAEVDAEKVVAAARLAGVHDLVLRLPQGYDTRLGDGGAGLSGGQRQRIGLARALYGRPALIVLDEPNASLDEAGEAALAEAIAAMRRQGSSLVLVTHKPAVLALTDKLLLLHGGRLQRFGATAEVLASASPPAAAAPAPAPAPTRPTPAFGFGYRPGPGMPVGGVPGGAAR |
3SI7 Chain:A ((53-254)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLKNINLNIEKGEMLAITGSTGSGKTSLLMLILGELEASEGIIKHSG-------------RVSFCSQFSWIMPGTIKENIIGVSYDEYRYKSVVKACQL---QQDITKFAEQDNTVLGEGGVTLSGGQRARISLARAVYKDADLYLLDSPFGYLDVFTEEQVFESCVCKLMANKTRILVTSKMEHLRKADKILILHQGSSYFYGTFSE-LQSLRPDFSS------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SI7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -117486 for 1516 contacts (-77.5/contact) +
2D Compatibility (PS) -22050 + (NN) -13383 + (LL) 30852
1D Compatibility (HY) -15200 + (ID) 3400
Total energy: -140667.0 ( -92.79 by residue)
QMean score : 0.433
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