Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSEQRKESLQNNPNLSKKDIKIVEKILSKNDIKAAEMKERYLKEGLYVLNFMSSPGSGKTTMLENLADF--KDFKFCVVEGDLQTNRDADRLRKKGVSAHQITTGEACHLEASMIEGAFDLLKDEGALEKSDFLIIENVGNLVCPSSYNLGAAMNIVLLSVPEGDDKVLKYPTMFMCADAVIISKADMIEVFNFRVSQVKEDMQKLKPEAPIFLMSSKDPKSLEDFKNFLLEKKRENYQSTHSF
2WSM Chain:A ((11-213))
--------------------------LAENKRLAEKNREALRESGTVAVNIMGAIGSGKTLLIERTIERIGNEVKIGAMLGDVVSKADYERVRRFGIKAEAISTGKECHLDAHMIYHRLKKFSD------CDLLLIENVGNLICPVDFDLGENYRVVMVSVTEGDDVVEKHPEIFRVADLIVINKVALAEAVGADVEKMKADAKLINPRAKIIEMDLKTGKGFEEWIDFLRGILN---------
General information:
TITO was launched using:
RESULT:
Template:
2WSM.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119715 for 1682 contacts (-71.2/contact) +
2D Compatibility (PS) -22094 + (NN) -9701 + (LL) 2624
1D Compatibility (HY) -14800 + (ID) 3600
Total energy: -167286.0 ( -99.46 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_2WSM.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WSM-query.scw
PDB file :
Tito_Scwrl_2WSM.pdb
: