Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLETKDLNLFLG-NKHVLKNISLSIPVRGEIIGIMGPNGAGKSSLIKSLIGEFN-ATGTKLLYNKPIQQ---QLQHITYIPQKAHIDLDFPISVEQVILSGCYKEIGWFRRPNKSARDKLKQLLSDLELESLRHRQISELSGGQLQRVLVARALMSESEVYFLDEPFVGIDFSSEKLIMTKIENLKQ-QGKLILIIHHDLSKAKQYFDRIILL-NQTLRYFGDSEEAMSVTRLNETFMSSTDCSDPSQRSNITC
1Z47 Chain:A ((15-238))
-IEFVGVEKIYPGGARSVRGVSFQIR-EGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDLPPQKRNVGLVFQNYAL--FQHMTVYDNVSFGLREKR----VPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEKPG----------------------
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) -135631 for 1736 contacts (-78.1/contact) +
2D Compatibility (PS) -23086 + (NN) -6080 + (LL) 1436
1D Compatibility (HY) -12400 + (ID) 2850
Total energy: -178611.0 ( -102.89 by residue)
QMean score : 0.517
(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
: