Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTFLEFHQLVKEDLLIYSWIIKNFHLTRQKLMAGGEITMNR---EQVIVMEKGLLVQVN--EEGKNDLYRVFIDQRIIFTT-----K--GDITLTALEDTSYSIIRTDELIGKLEDQHLLPTFFLQIAEDFEKGLDWQR-TLISVDPAERAEMILVKIIERYEINSENKPEFPRWLRINVLARFAKCSVSTMSSVVNELVNEGDLNIKGTPWLLTRPYQASCA
3KCC Chain:A ((68-257))
------------------------HCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFEEGQERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLLVTGRIAQTLLNLAKQPDAMT-HPDGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVY--------
General information:
TITO was launched using:
RESULT:
Template:
3KCC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110098 for 1217 contacts (-90.5/contact) +
2D Compatibility (PS) -18993 + (NN) -2793 + (LL) 3320
1D Compatibility (HY) -4400 + (ID) 1000
Total energy: -133964.0 ( -110.08 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_3KCC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KCC-query.scw
PDB file :
Tito_Scwrl_3KCC.pdb
: