Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKLRPASPRNEILATLGRFRPALRSVALFTAVINLLMLAPSLYMLQVYDRVLGSGNHMTLLMLTLMVLGLYLLLGALEWVRSLVVIRLGGQLDMQLNQRIYDASFRASLERGEQAAGQALNDLTSLRQFLTGNALFAFFDAPWFPLYLLVIFLFSPWLGLLALAGALLLVLLAWVNESRSREPLAEAGQLSILATQQASANLRQAETLAAMGMLPAMRARWFAQHQAFLARQNLGSERSAAIGATSKGVRLALQSLVLGLGAWLAVDGLITPGMMIAGSILMGRVLSPIDQLIAVWRQWSGARQAYQRLARLLEENP--PAALGMPLPAP--RGALRVERLCAAAPGR-EQALLQDLGFALEPGEALGVIGPSGSGKSTLARLLVGAWQPLSGAVRLDGADLRQWSAAALGPHIGYLAQDVQLFAGSIAENIARFAE----VDAEKVVAAARLAGVHDLVLRLPQGYDTRLGDGGAGLSGGQRQRIGLARALYGRPALIVLDEPNASLDEAGEAALAEAIAAMRRQGSSLVLVTHKPAVLALTDKLLLLHGGRLQRFGATAEVLASASPPAAAAPAPAPAPTRPTPAFGFGYRPGPGMPVGGVPGGAAR |
4AYX Chain:A ((314-570)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RLWELLEREPKLPFNEGVILNEKSFQGALEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRL-MDGRTVLVIAHRLSTIKNANMVAVLDQGKITEYGKHEELLS-------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AYX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176255 for 1899 contacts (-92.8/contact) +
2D Compatibility (PS) -26646 + (NN) -9649 + (LL) 27264
1D Compatibility (HY) -20400 + (ID) 4600
Total energy: -210286.0 ( -110.74 by residue)
QMean score : 0.503
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