Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKTWEEFLKQEAKQPYFIELMEAVKDARAKGNVY-PSEEDMFSCFRLCPYNQVKVVILGQDPYHGPGQAHGLSFSVQKDVRI-PPSLRNIYKELKTDLDIEPADHGYLAKWAEQGVLLMNTSWSVEEGKAGSHKKLGWATFTDHVLEELNNYDKPLVFILWGNHAIKAASGITNPQHLIIKGVHPSPLAASRGFFGSKPFSKTNAFLEEHERKPIDWDLNEQ
4WS1 Chain:A ((23-237))
--RGWAAALEPVADQ--VAHMGQFLRAEIAAGRRYLPAGSNVLRAFTF-PFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRL---
General information:
TITO was launched using:
RESULT:
Template:
4WS1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101296 for 1705 contacts (-59.4/contact) +
2D Compatibility (PS) -23182 + (NN) -11194 + (LL) 552
1D Compatibility (HY) -16800 + (ID) 4300
Total energy: -156220.0 ( -91.62 by residue)
QMean score : 0.676
(partial model without unconserved sides chains):
PDB file :
Tito_4WS1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WS1-query.scw
PDB file :
Tito_Scwrl_4WS1.pdb
: