Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALIEMSGVTKKYRRSTTALRNLNLSIQQGEFVYLVGPSGAGKSSLIRLLYREEKLSSGRLKV-------GEFNLNKLKRRQIPILRRSIGVVFQDYKLLPTKTVYENVAFA-MQVIGAKRRHIKKRVPEVLELVGLKHKMRSFPTQLSGGEQQRVAIARAIVNNPKLLIADEPTGNLDPEIAWEIMHLLERINLQGTTVLMATHNSQIVNTLRHRVIEIEAGSVIRDEEKGEYGYHD
4YMV Chain:J ((13-225))
---------------SLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKV--------RQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRA
General information:
TITO was launched using:
RESULT:
Template:
4YMV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121680 for 1612 contacts (-75.5/contact) +
2D Compatibility (PS) -22076 + (NN) -7602 + (LL) 2336
1D Compatibility (HY) -19600 + (ID) 3500
Total energy: -172122.0 ( -106.78 by residue)
QMean score : 0.592
(partial model without unconserved sides chains):
PDB file :
Tito_4YMV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMV-query.scw
PDB file :
Tito_Scwrl_4YMV.pdb
: