Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVLINKDTKVICQGFTGSQGTFHSEQAIAYGTKMVGGVTPGKGGTTHLGLPVFNTVKEAVEATGAEASVIYVPAPFCKDSILEAAFGGIKLIVCITEGIPTLDMLDAKVKCDELGVRLIGPNCPGVITPGECKIGIMPGHIHLPGKVGIVSRSGTLTYEAVKQTTDAGFGQSTCVGIGGDPIPGSNFIDILKLFQEDPQTEAIVMIGEIGGSAEEEAAAFIKANVTKPVVSYIAGVTAPPGKRMGHAGAIISGGKGTADEKFAALQDAGVKTVRSLADIGKALAELTGWEVKKA
2NUA Chain:A ((1-283))
-SILIDKNTKVICQGFTGSQGTFHSEQAIAYGTKMVGGVTPGKGGTTHLGLPVFNTVREAVAATGATASVIYVPAPFCKDSILEAIDAGIKLIITITEGIPTLDMLTVKVKLDEAGVRMIGPNVPGVITPGECKIGIQPGHIHKPGKVGIVSRSGTLTYEAVKQTTDYGFGQSTCVGIGGDPIPGSNFIDILEMFEKDPQTEAIVMIGEIGGSAEEEAAAYIKEHVTKPVVGYIAGVTAPKGKRMGHAGAIIAGGKGTADEKFAALEAAGVKTVRSLADIGEALKTVL-------
General information:
TITO was launched using:
RESULT:
Template:
2NUA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -200955 for 2645 contacts (-76.0/contact) +
2D Compatibility (PS) -32208 + (NN) -23605 + (LL) 772
1D Compatibility (HY) -33200 + (ID) 12500
Total energy: -301696.0 ( -114.06 by residue)
QMean score : 0.828
(partial model without unconserved sides chains):
PDB file :
Tito_2NUA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NUA-query.scw
PDB file :
Tito_Scwrl_2NUA.pdb
: