Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIETLTQKNHRSDSGRNHIVLFEPQIPANTGNIARTCAATNAPLHIIRPMGFPIDDKKMKRAGLDYWDKLDVSFYDSLEEFML---SCRGKVHLISKFADKVYSDENYNDDQDHYFMFGREDKGLPETFMREHAEKALRIPMNDEHVRSLNVSNTVCMIVYEALRQQSFPNLELSHTYENDKLK
1IPA Chain:A ((115-263))
---------------DALILVAVGLEKPGNLGAVLRSADAAGAEAVLVAG-GVDLYSPQVIRNSTGVVFSLRTLAA-SESEVLDWIKQHNLPLVATTPHAEALYWEANLRP--PVAIAVGPEHEGLRAAWLEAAQ-TQVRIPMQGQ-ADSLNVSVSAALLLYEALRQRLL---------------
General information:
TITO was launched using:
RESULT:
Template:
1IPA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101265 for 1168 contacts (-86.7/contact) +
2D Compatibility (PS) -16137 + (NN) -8836 + (LL) 1804
1D Compatibility (HY) -6000 + (ID) 1700
Total energy: -132134.0 ( -113.13 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_1IPA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IPA-query.scw
PDB file :
Tito_Scwrl_1IPA.pdb
: