Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKNIFITGSSRGIGLAIAHQFAQLGANIVLN--GRSEISEDLIAEFADYGVKVIAISGDVSSFEDANRMIKEAIASLGSVDVLVNNAGITNDKLMLKMTVEDFESVLKINLTGAFNMTQSVLKPMTKARQGAIINISSVVGLTGNVGQANYAASKAGLIGFTKSVAREVAARGIRVNAIAPGFIESDMTDVIPEKMQEAILAQIPMKRIGKGKEVAQVASFLAEQ--EYLTGQVIAIDGGMTMQ
4JRO Chain:C ((25-271))
MTLQGKVAVVTGGSRGIGRDIAINLAKEGANIFFNYNGSPEAAEETAKLVAEHGVEVEAMKANVAIAEDVDAFFKQAIERFGRVDILVNNAGITRDNLLMRMKEDEWDDVININLKGTFLCTKAVSRTMMKQRAGKIINMASVVGLIGNAGQANYVASKAGVIGLTKTTARELAPRGINVNAVAPGFITTDMTDKLDEKTKEAMLAQIPLGAYGTTEDIANAVLFLASDASKYITGQTLSVDGGMVM-
General information:
TITO was launched using:
RESULT:
Template:
4JRO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139953 for 2107 contacts (-66.4/contact) +
2D Compatibility (PS) -26231 + (NN) -4677 + (LL) 120
1D Compatibility (HY) -20800 + (ID) 6200
Total energy: -197741.0 ( -93.85 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_4JRO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JRO-query.scw
PDB file :
Tito_Scwrl_4JRO.pdb
: