Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGVNANISESLTGTIEAPFPEFEAPPANPMEVLRNWLERARRY-GVREPRALALATVDGQGRPSTRIVVIAELGERGVVFATHADSQKGRELAQNPWASGVLYWRESSQQIILNGRAERLPDERADAQWLSRPYQTHPMSIASRQSETLADIHALRAEARRLAETDG--PLPRPPGYCLFELCLESVEFWGNGTERLHERLRYDRD---------------EGGWKHRYLQP
1NRG Chain:A ((49-261))
-------------------EETHLTSLDPVKQFAAWFEEAVQCPDIGEANAMCLATCTRDGKPSARMLLLKGFGKDGFRFFTNFESRKGKELDSNPFASLVFYWEPLNRQVRVEGPVKKLPEEEAECYFHSRPKSSQIGAVVSHQSSVIPDREYLRKKNEELEQLYQDQEVPKPKSWGGYVLYPQVMEFWQGQTNRLHDRIVFRRGLPTGDSPLGPMTHRGEEDWLYERLAP
General information:
TITO was launched using:
RESULT:
Template:
1NRG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62659 for 1373 contacts (-45.6/contact) +
2D Compatibility (PS) -21535 + (NN) -12329 + (LL) 1016
1D Compatibility (HY) -12400 + (ID) 3100
Total energy: -111007.0 ( -80.85 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_1NRG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NRG-query.scw
PDB file :
Tito_Scwrl_1NRG.pdb
: