Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFKVRQATEKDVVQIRDVATKAWFNTYLNIYAATTVNHLLEASYNEHHLKKRLQEQLFLVVEEGNDIVGFANFIYG------EELYLSAHYVKPESQHTGYGTALLNEGLSRFEDKF-EGVYLEVDNKNEEAVAYYKEQGFTILRSYQPEM--YGEKLDLALMYKAF
2AE6 Chain:A ((7-163))
SLTIRLVAEADWPALHALDQII-----------------S-----LAAYQEKMKDETIFVAISGQQLAGFIEVHPPTSLAAHQKQWLLSIGVSPDFQDQGIGGSLLSYIKDMAEISGIHKLSLRVMATNQEAIRFYEKHGFVQEAHFKEEFYINGHYCDDYQYAYF-
General information:
TITO was launched using:
RESULT:
Template:
2AE6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48425 for 897 contacts (-54.0/contact) +
2D Compatibility (PS) -14389 + (NN) -1382 + (LL) 1832
1D Compatibility (HY) -4000 + (ID) 1350
Total energy: -67714.0 ( -75.49 by residue)
QMean score : 0.580
(partial model without unconserved sides chains):
PDB file :
Tito_2AE6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AE6-query.scw
PDB file :
Tito_Scwrl_2AE6.pdb
: