Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYSLQVEDIHKRYGSHEVLRGVSLRAGKGDVISIIGSSGSGKSTFLRCVNFLEKPCAGHIRVGDEELRTRPGALGELRAADPRQLQRIRSRLAMVFQHFNLWSHLTVLENVVECPVNVLRMNRDDAVARARHYLAKVGLAEKVERQYPCELSGGQQQRVAIARALAMEPQVMLFDEPTSALDPELVGEVLKVMQQLAEEGRTMVLVTHEMAFARQVSSHVIFLHQGVIEEEGTPDQVFGAPRSERLRQFLAGNLK
4YMW Chain:J ((4-237))
-----VNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFI--DGVKINNGKV---------NINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDK-KDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLS----
General information:
TITO was launched using:
RESULT:
Template:
4YMW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161155 for 1905 contacts (-84.6/contact) +
2D Compatibility (PS) -25574 + (NN) -15045 + (LL) 880
1D Compatibility (HY) -27600 + (ID) 6700
Total energy: -235194.0 ( -123.46 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_4YMW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMW-query.scw
PDB file :
Tito_Scwrl_4YMW.pdb
: