Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAISLLQGKKGLITGIINKRSIAYGIVKTLSEHGAESAVTYQNEIVKERLLSIAAELNVELVLNCDVANEGTIDDVFKSIEEKWGTLDFLVHAIAFSDKNELSGKYVN-TSLNNFQNAMNISCYSFTALAQRAEKMMPNGGSLLTLSYYGAEKVMPNYNVMGLCKAALEASVKYLACDLGPQNIRVNAISAGPIRTLASSGISDFHFISEWNRNNSPLRRNTTLEDVGKAALYLLSDLSSGTTGEILHVDSGYNVV--GMKAIDSNIINSYQN
4BKU Chain:A ((2-258))
---GFLDGKRILLTGLLSNRSIAYGIAKACKREGAELAFTYVGDRFKDRITEFAAEFGSELVFPCDVADDAQIDALFASLKTHWDSLDGLVHSIGFAPREAIAGDFLDGLTRENFRIAHDISAYSFPALAKAALPMLSDDASLLTLSYLGAERAIPNYNTMGLAKAALEASVRYLAVSLGAKGVRVNAISAGPIKTLAASGIKSFGKILDFVESNSPLKRNVTIEQVGNAGAFLLSDLASGVTAEVMHVDSGFNAVVGGM-------------
General information:
TITO was launched using:
RESULT:
Template:
4BKU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -163802 for 2162 contacts (-75.8/contact) +
2D Compatibility (PS) -27157 + (NN) -6086 + (LL) 1216
1D Compatibility (HY) -25600 + (ID) 6750
Total energy: -228179.0 ( -105.54 by residue)
QMean score : 0.528
(partial model without unconserved sides chains):
PDB file :
Tito_4BKU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BKU-query.scw
PDB file :
Tito_Scwrl_4BKU.pdb
: