Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKTWEEFLKQEAKQPYFIELMEAVKDARAKGNVY-PSEEDMFSCFRLCPYNQVKVVILGQDPYHGPGQAHGLSFSVQKDVRI-PPSLRNIYKELKTDLDIEPADHGYLAKWAEQGVLLMNTSWSVEEGKAGSHKKLGWATFTDHVLEELNNYDKPLVFILWGNHAIKAASGITNPQHLIIKGVHPSPLAASRGFFGSKPFSKTNAFLEEHERKPIDWDLNEQ
4WS2 Chain:A ((23-237))
--RGWAAALEPVADQ--VAHMGQFLRAEIAAGRRYLPAGSNVLRAFTF-PFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDWRL---
General information:
TITO was launched using:
RESULT:
Template:
4WS2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101774 for 1723 contacts (-59.1/contact) +
2D Compatibility (PS) -23239 + (NN) -11470 + (LL) 552
1D Compatibility (HY) -16800 + (ID) 4300
Total energy: -157031.0 ( -91.14 by residue)
QMean score : 0.699
(partial model without unconserved sides chains):
PDB file :
Tito_4WS2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4WS2-query.scw
PDB file :
Tito_Scwrl_4WS2.pdb
: