Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAISLLQGKKGLITGIINKRSIAYGIVKTLSEHGAESAVTYQNEIVKERLLSIAAELNVELVLNCDVANEGTIDDVFKSIEEKWGTLDFLVHAIAFSDKNELSGKYVNTSLNNFQNAMNISCYSFTALAQRAEKMMPNGGSLLTLSYYGAEKVMPNYNVMGLCKAALEASVKYLACDLGPQNIRVNAISAGPIRTLASSGISDFHFISEWNRNNSPLRRNTTLEDVGKAALYLLSDLSSGTTGEILHVDSGYNVVGMKAIDSNIINSYQN
2WYW Chain:A ((6-258))
-----LSGKKALVMGVTNQRSLGFAIAAKLKEAGAEVALSYQAERLRPEAEKLAEALGGALLFRADVTQDEELDALFAGVKEAFGGLDYLVHAIAFAPREAMEGRYIDTRRQDWLLALEVSAYSLVAVARRAEPLLREGGGIVTLTYYASEKVVPKYNVMAIAKAALEASVRYLAYELGPKGVRVNAISAGPVRTVAARSIPGFTKMYDRVAQTAPLRRNITQEEVGNLGLFLLSPLASGITGEVVYVDAGYHIMGMEL-----------
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) -156981 for 2181 contacts (-72.0/contact) +
2D Compatibility (PS) -27530 + (NN) -9550 + (LL) 1380
1D Compatibility (HY) -26000 + (ID) 5800
Total energy: -224481.0 ( -102.93 by residue)
QMean score : 0.525
(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
: