Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNKLNEALKKAERIVFLTGAGVSVPSGIPDYRSKNGLYAGMSSP----EYMLSHTCLVREPEKFYQFVTENMY-YPNAVPNVIHKKMAEIETEKDV-TIITQNIDGLHEKAGSKKVVNFHGSLYHCYCQNCGMTVTAKDYLK----SDIHT--DCGGVIRPDVVLYEEAISESAIDQSLTAIRKADLIVIVGTSFRVSPFCNLTDYRNKKARIFAVNKERISLPYPFEMMESDAVKVFEEI
3JR3 Chain:A ((3-199))
MKEFLDLLNESRLTVTLTGAGISTPSGIPDF--------KYSQNVFDIDFFYSH------PEEFYRFAKEGIFPMLQAKPNLAHVLLAKLEEKGLIEAVITQNIDRLHQRAGSKKVIELAGNVEEYYCVRCEKKYTVEDVIKKLESSDVPLCDDCNSLIRPNIVFFGENLPQDALREAIGLSSRASLMIVLGSSLVVYPAAEL--------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3JR3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99448 for 1305 contacts (-76.2/contact) +
2D Compatibility (PS) -19777 + (NN) -10198 + (LL) 4248
1D Compatibility (HY) -18000 + (ID) 3400
Total energy: -146575.0 ( -112.32 by residue)
QMean score : 0.642
(partial model without unconserved sides chains):
PDB file :
Tito_3JR3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JR3-query.scw
PDB file :
Tito_Scwrl_3JR3.pdb
: