Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAISLLQGKKGLITGIINKRSIAYGIVKTLSEHGAESAVTYQNEIVKERLLSIAAELNVELVLNCDVANEGTIDDVFKSIEEKWGTLDFLVHAIAFSDKNELSGKYVNTSLNNFQNAMNISCYSFTALAQRAEKMMPNGGSLLTLSYYGAEKVMPNYNVMGLCKAALEASVKYLACDLGPQNIRVNAISAGPIRTLASSGISDFHFISEWNRNNSPLRRNTTLEDVGKAALYLLSDLSSGTTGEILHVDSGYNVVGMKAIDSNIINSYQN
2WYW Chain:D ((6-258))
-----LSGKKALVMGVTNQRSLGFAIAAKLKEAGAEVALSYQAERLRPEAEKLAEALGGALLFRADVTQDEELDALFAGVKEAFGGLDYLVHAIAFAPREAMEGRYIDTRRQDWLLALEVSAYSLVAVARRAEPLLREGGGIVTLTYYASEKVVPKYNVMAIAKAALEASVRYLAYELGPKGVRVNAISAGPVRTVAARSIPGFTKMYDRVAQTAPLRRNITQEEVGNLGLFLLSPLASGITGEVVYVDAGYHIMGME------------
General information:
TITO was launched using:
RESULT:
Template:
2WYW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157817 for 2176 contacts (-72.5/contact) +
2D Compatibility (PS) -27562 + (NN) -9671 + (LL) 1300
1D Compatibility (HY) -26000 + (ID) 5800
Total energy: -225550.0 ( -103.65 by residue)
QMean score : 0.545
(partial model without unconserved sides chains):
PDB file :
Tito_2WYW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WYW-query.scw
PDB file :
Tito_Scwrl_2WYW.pdb
: