Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFELKNIAYRYKGNDNKTLENINYSFQSGVFYTILGNSDSGKTTLLSLMAGLDSPTEGQVLFNKKDIKEAGYAQHRKKNIALVFQNYNLLDYLTPLENV-------QLVKPTADKQL--LLDLGLKEDMLTRNILRLSGGQQQRVAIARALVAGTPAILLDEPTGNLDFDIARDITMRLKDFAHKEKRCVIMVTHSREIA-HMADTALQLTGDNLKELSKESIAQSILQQRNL
1Z47 Chain:A ((24-228))
----------YPGG-ARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDL---PPQKRNVGLVFQNYALFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEKPGTLFV
General information:
TITO was launched using:
RESULT:
Template:
1Z47.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101022 for 1469 contacts (-68.8/contact) +
2D Compatibility (PS) -21474 + (NN) -11216 + (LL) 1132
1D Compatibility (HY) -16400 + (ID) 3500
Total energy: -152480.0 ( -103.80 by residue)
QMean score : 0.510
(partial model without unconserved sides chains):
PDB file :
Tito_1Z47.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Z47-query.scw
PDB file :
Tito_Scwrl_1Z47.pdb
: