Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAISLLQGKKGLITGIINKRSIAYGIVKTLSEHGAESAVTYQNEIVKERLLSIAAELNVELVLNCDVANEGTIDDVFKSIEEKWGTLDFLVHAIAFSDKNELSGKYVNTSLNNFQNAMNISCYSFTALAQRAEKMMPNGGSLLTLSYYGAEKVMPNYNVMGLCKAALEASVKYLACDLGPQNIRVNAISAGPIRTLASSGISDFHFISEWNRNNSPLRRNTTLEDVGKAALYLLSDLSSGTTGEILHVDSGYNVVGMKAIDSNIINSYQN
2WYV Chain:B ((6-258))
-----LSGKKALVMGVTNQRSLGFAIAAKLKEAGAEVALSYQAERLRPEAEKLAEALGGALLFRADVTQDEELDALFAGVKEAFGGLDYLVHAIAFAPREAMEGRYIDTRRQDWLLALEVSAYSLVAVARRAEPLLREGGGIVTLTYYASEKVVPKYNVMAIAKAALEASVRYLAYELGPKGVRVNAISAGPVRT------------YDRVAQTAPLRRNITQEEVGNLGLFLLSPLASGITGEVVYVDAGYHIMGMEL-----------
General information:
TITO was launched using:
RESULT:
Template:
2WYV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135710 for 1965 contacts (-69.1/contact) +
2D Compatibility (PS) -26087 + (NN) -7575 + (LL) 2084
1D Compatibility (HY) -24800 + (ID) 5650
Total energy: -197738.0 ( -100.63 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_2WYV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WYV-query.scw
PDB file :
Tito_Scwrl_2WYV.pdb
: