Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKAKSHAPEVITSSPLK
3SW2 Chain:B ((1-233))
IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMK---------------------
General information:
TITO was launched using:
RESULT:
Template:
3SW2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143659 for 2006 contacts (-71.6/contact) +
2D Compatibility (PS) -25749 + (NN) -11522 + (LL) 904
1D Compatibility (HY) -32000 + (ID) 11650
Total energy: -223676.0 ( -111.50 by residue)
QMean score : 0.718
(partial model without unconserved sides chains):
PDB file :
Tito_3SW2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SW2-query.scw
PDB file :
Tito_Scwrl_3SW2.pdb
: