Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKVMIVYASMTGNTQEIADILGEELEKYDIEVEIEECISVDPEDLLE-YDGALIG--GYTYDDGQLPDEFVDFYEDMADVDFSGKVCASFGSGDTFYDEYCLTVDLVETRLKEQGATVPVAGLKVD----LDPD-----EEDVVRAESYAKTFVEALKG
3KAQ Chain:A ((1-145))
-SKVLILFGSSTGNTESIAQKLEELVAAGGHEVTLLNAAEASADNLADGYDAVLMGCSAWGMEDLELQDDFAPLFDEMENMGLKGKKLAAFASGDMEYEHYCGAVPAIEEKARGLGAEVICEGLKIEGDASSDPDAVSAFAEDVLK--------------
General information:
TITO was launched using:
RESULT:
Template:
3KAQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -74575 for 1045 contacts (-71.4/contact) +
2D Compatibility (PS) -13899 + (NN) -4353 + (LL) 1420
1D Compatibility (HY) -8400 + (ID) 2400
Total energy: -102207.0 ( -97.81 by residue)
QMean score : 0.566
(partial model without unconserved sides chains):
PDB file :
Tito_3KAQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KAQ-query.scw
PDB file :
Tito_Scwrl_3KAQ.pdb
: