Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEYNWDERHIITFPEENSALTTKDLHVYYGEKEAIKGIDMQFEKNKITALIGPSGCGKSTYLRSLNRMNDTIDIARVTGQIMYEGIDVNAQDINVYEMRKHIGMVFQRPNPFAK-SIYKNITFAYERAGVKDKKFLDEVVETSLKQAALWDQVKDDLHKSAFTLSGGQQQRLCIARAIAVKPEILLMDEPASALDPIATMQLEETMFEL-KKNYTIIIVTHNMQQAARASDYTAFFYLGDLIEYDKTNNIFQNAKCQSTSDYVSGRFG
4YMU Chain:J ((6-237))
------------------------DVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEP-----TKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDK-KD---QYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKIL-
General information:
TITO was launched using:
RESULT:
Template:
4YMU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117437 for 1851 contacts (-63.4/contact) +
2D Compatibility (PS) -25081 + (NN) -11319 + (LL) 2576
1D Compatibility (HY) -16400 + (ID) 4200
Total energy: -171861.0 ( -92.85 by residue)
QMean score : 0.430
(partial model without unconserved sides chains):
PDB file :
Tito_4YMU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YMU-query.scw
PDB file :
Tito_Scwrl_4YMU.pdb
: