Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAISLLQGKKGLITGIINKRSIAYGIVKTLSEHGAESAVTYQNEIVKERLLSIAAELNVELVLNCDVANEGTIDDVFKSIEEKWGTLDFLVHAIAFSDKNELSGKYVNTSLNNFQNAMNISCYSFTALAQRAEKMMPNGGSLLTLSYYGAEKVMPNYNVMGLCKAALEASVKYLACDLGPQNIRVNAISAGPIRTLASSGISDFHFISEWNRNNSPLRRNTTLEDVGKAALYLLSDLSSGTTGEILHVDSGYNVVGMKAIDSNIINSYQN
3GRK Chain:A ((7-259))
----LLQGKRGLILGVANNRSIAWGIAKAAREAGAELAFTYQGDALKKRVEPLAEELGAFVAGHCDVADAASIDAVFETLEKKWGKLDFLVHAIGFSDKDELTGRYIDTSEANFTNTMLISVYSLTAVSRRAEKLMADGGSILTLTYYGAEKVMPNYNVMGVAKAALEASVKYLAVDLGPQNIRVNAISAGPIKT------GDFRYILKWNEYNAPLRRTVTIDEVGDVGLYFLSDLSRSVTGEVHHADSGYHVIGM-------------
General information:
TITO was launched using:
RESULT:
Template:
3GRK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -163638 for 2132 contacts (-76.8/contact) +
2D Compatibility (PS) -26918 + (NN) -8944 + (LL) 1484
1D Compatibility (HY) -26400 + (ID) 7850
Total energy: -232266.0 ( -108.94 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_3GRK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GRK-query.scw
PDB file :
Tito_Scwrl_3GRK.pdb
: