Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MELNKIAASILLSGLIIMIVSNVVDMLYNPEKYKIEHQTMVATGSNEPQKKIEQVALDIGALMQSASLEKGKSIAKKCIACHSFDKGGANKVGPNLWNIVGNKKAHLGDSFNYSKAMLEKGGKWGYEELFAFLKSPKDYIKGTRMAFAGISNPQEIADLVSYLRQLSDNQVALPK
3M97 Chain:X ((38-140))
-------------------------------------------------------------VLASADPAAGEKVFGKCKACHKLDGND--GVGPHLNGVVGRTVAGV-DGFNYSDPMKAHGGDWTPEALQEFLTNPKAVVKGTKMAFAGLPKIEDRANLIAYLEGQQ--------
General information:
TITO was launched using:
RESULT:
Template:
3M97.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -43784 for 738 contacts (-59.3/contact) +
2D Compatibility (PS) -10890 + (NN) -3138 + (LL) 5644
1D Compatibility (HY) -7600 + (ID) 2150
Total energy: -61918.0 ( -83.90 by residue)
QMean score : 0.625
(partial model without unconserved sides chains):
PDB file :
Tito_3M97.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3M97-query.scw
PDB file :
Tito_Scwrl_3M97.pdb
: