Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLYYLGPKGTFSYLACRQYFSENEATFQPKSNLFEVIKAVADDDTSIGVVPIENSIEGTINIVADALAQQ-DVFAHGEIRLDINFALYGNGTDSISDIKKVYSIAPAISQTTNYIHQHQFDYDYVDSTIQSLTKIENGVAAIAPLGSGEAYGFTPIDTHIEDYPHNVTRFLVIKNQQ---QFDQNATSLMFLITPMHDKPGLLASVLNTFALFNINLSWIESRPLKTQLGMYRFFVQADSAITTDIKKVIAILETLDFKVEMIGAFN
4LUB Chain:A ((3-241))
MKIAYLGPSGSFTHNVALHAFPA--ADLLPFENITEVIKAYESKQVCFAIVPVENSIEGSVHETFDYLFHQAKIEAVAEIIL-----------------------------------------------------------------------------------ENYTRFWVLGDETPTIHLKEEDQKISLALTLPDNLPGALYKALSTFAWRGIDLTKIESRPLKTILGEYFFII-------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4LUB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108734 for 1061 contacts (-102.5/contact) +
2D Compatibility (PS) -16038 + (NN) -5205 + (LL) 7156
1D Compatibility (HY) -10400 + (ID) 2900
Total energy: -136121.0 ( -128.30 by residue)
QMean score : 0.450
(partial model without unconserved sides chains):
PDB file :
Tito_4LUB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4LUB-query.scw
PDB file :
Tito_Scwrl_4LUB.pdb
: