Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDAISFRPMTEADLDAVLKIEYAAFSHPWTRGIFSEGL---KNYHCWLMFEGSQQVGHGVI------QII-------------LDEAHLLNITVKPESQGRGLGLRLLEHLMREAAGHQARECFLEVRASNQAAYRLYERYGFNEIGRRRDYYPAVGGREDALVMACTLFD
4JWP Chain:A ((21-185))
-SMTLLIRHATEADLPALLAIYNDAVEN--TLAIWNETLVDLENRHQWL--ENRNRDGFPVLVAEREGQVVGYASYGPFRPFEGFRHSSELSVYVASNARGGGIGRTLLAELIEEARERKVHVLIAGIEAGNAASIALHRSQGFEECGTLKQVGQKFGRWLDLLFMQKIL--
General information:
TITO was launched using:
RESULT:
Template:
4JWP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75598 for 925 contacts (-81.7/contact) +
2D Compatibility (PS) -15393 + (NN) -6210 + (LL) 620
1D Compatibility (HY) -10400 + (ID) 2300
Total energy: -109281.0 ( -118.14 by residue)
QMean score : 0.442
(partial model without unconserved sides chains):
PDB file :
Tito_4JWP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4JWP-query.scw
PDB file :
Tito_Scwrl_4JWP.pdb
: