Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNFTLPELPYDKTALEPYISAKTLDFHYDKHHKGYLNKLNELIENTDYQNVKIEELIMKVHGNSDEVPVFNNAAQVWNHTFYWNSMKKSGGDKPKEDGLLAKKIQDDIGGFDKFHEEFFNHGIGQFGSGWVWLVL-ERGKLKITKTPNADLPLIYDQ-VPLLTMDVWEHAYYLDCQNRRIDYIKIFLDHLINWDFAEENLKKNT
2AWP Chain:B ((2-194))
-AIILPKLKYALNALSPHISEETLNFHYNKHHAGYVNKLNGLIKDTPFATKSLVEIMKESTG-----AIFNNAAQIWNHSFYWDSMGPNCGGEPH--GEIKEKIQEDFGSFNNFKNEFSNVLCGHFGSGWGWLVLNNNNKLVILQTHDAGNPIKDNTGIPILTCDIWEHAYYIDYRNDRPSYVKAWWN-LVNWNFANENLKKAL
General information:
TITO was launched using:
RESULT:
Template:
2AWP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122832 for 1518 contacts (-80.9/contact) +
2D Compatibility (PS) -20164 + (NN) -5369 + (LL) 392
1D Compatibility (HY) -19600 + (ID) 4800
Total energy: -172373.0 ( -113.55 by residue)
QMean score : 0.595
(partial model without unconserved sides chains):
PDB file :
Tito_2AWP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AWP-query.scw
PDB file :
Tito_Scwrl_2AWP.pdb
: