Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLAKGKEMGKLEGKIALIAGASGGMGSAVAKRFVREGAYVILISRSIDN-LKQLYDEIEKLDEFKEGSVKLIQLDLLDFENVKILANMIESLKLSESGALDILVACTGILGKLNLVHDCELEELQNVMNTNFTANWYLLKNLDPVLKKSN-SGRVIFMTSEVTLSPSSYPYWVPYAASKAALEIMVKIYASETKHTKLCVNAVYSEGPVDSEMYKQAFPGK--------DIS-EL-ILPNKLTDKFVELASEDCS-ISGQVLPLSKSLE
1GEE Chain:A ((2-249))
--------YKDLEGKVVVITGSSTGLGKSMAIRFATEKAKVVVNYRSKEDEANSVLEEIKKV----GGEAIAVKGDVTVESDVINLVQSAI----KEFGKLDVMINNAGLENP-VSSHEMSLSDWNKVIDTNLTGAFLGSREAIKYFVENDIKGTVINMSSVHEKIP--WPLFVHYAASKGGMKLMTETLALEYAPKGIRVNN-IGPGAINTPINAEKFADPEQRADVESMIPMGYIGEPEEIAAVAAWLASSEASYVTGITLFADGGMT
General information:
TITO was launched using:
RESULT:
Template:
1GEE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155111 for 2002 contacts (-77.5/contact) +
2D Compatibility (PS) -25407 + (NN) -11908 + (LL) 1436
1D Compatibility (HY) -9600 + (ID) 3150
Total energy: -203740.0 ( -101.77 by residue)
QMean score : 0.512
(partial model without unconserved sides chains):
PDB file :
Tito_1GEE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1GEE-query.scw
PDB file :
Tito_Scwrl_1GEE.pdb
: