Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKPIKTYDIKEEELAKTAYATIKTNKGNITLELFYKDAPQAVSNFVTLA-----------KEGFYNGLNFHRVIAGFVAQGGCPY-GTGTGGP---EHRIKCEVAHNPNKHQ-RGSISMAHAGRDTGGSQFFLCFVDLPHLDGEHTVFGKITSAESLSVLDKIKQGDIIESVVFSPSL
1A58 Chain:A ((20-161))
-------------------------AGRIVMELYNDIAPRTCNNFLMLCTGMAGTGKISGKPLHYKGSTFHRVIKNFMIQGGDFTKGDGTGGESIYGGMFDDEE--FVMKHDEPFVVSMANKGPNTNGSQFFITTTPAPHLNNIHVVFGKVVSG--QEVVTKIEYLKTNSKNRPLADV
General information:
TITO was launched using:
RESULT:
Template:
1A58.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51668 for 898 contacts (-57.5/contact) +
2D Compatibility (PS) -13336 + (NN) -5990 + (LL) 2420
1D Compatibility (HY) -5200 + (ID) 2550
Total energy: -76324.0 ( -84.99 by residue)
QMean score : 0.497
(partial model without unconserved sides chains):
PDB file :
Tito_1A58.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A58-query.scw
PDB file :
Tito_Scwrl_1A58.pdb
: