Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRLDKFLVECGLGSRTQVKLILKKKQISVNGNSETSPKVQVDEYRDEIKYNGTLV---SYEKFVYYMLHKPKGVISATDDPSHKTVLDLLDKTARDKAVFPVGRLDIDTTGLLLITNNGELAHKMLSPKKHVDKCYEAKISGIMTEDDILAFDKGIILKDFTCLPALLEIVEVNQVKKQSLVKITIKEGKFHQVKRMVAACGKEVLELKRLRMGNLQLDKQLESGQWRRLTIKEIEKLEKYMQ
3DH3 Chain:A ((7-236))
VRLNKYISESGICSRREADRYIEQGNVFLNGKRA-TIGDQVKP-GDVVKVNGQLIEPREAEDLVLIALNKPVGIVSTTEDGERDNIVDFVNH---SKRVFPIGRLDKDSQGLIFLTNHGDLVNKILRAGNDHEKEYLVTVDKPITEEFIRGMSAGVPILGTVTKKCK---VK---KEAPFVFRITLVQGLNRQIRRMCEHFGYEVKKLERTRIMNVSLS-GIPLGEWRDLTDDELIDLFKLIE
General information:
TITO was launched using:
RESULT:
Template:
3DH3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89290 for 1675 contacts (-53.3/contact) +
2D Compatibility (PS) -24679 + (NN) -6809 + (LL) 1220
1D Compatibility (HY) -16800 + (ID) 3600
Total energy: -139958.0 ( -83.56 by residue)
QMean score : 0.535
(partial model without unconserved sides chains):
PDB file :
Tito_3DH3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DH3-query.scw
PDB file :
Tito_Scwrl_3DH3.pdb
: