Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLSLDGVDLVHADGQRALADIRLRLAAGERVALIGPSGAGKTSLLRVLASQWRPSAGRVELLGE--EPWALSAAARQRLRARIGLVHQAPPLPPRQRVVSAVLAGRLGQWPLWKSLVSLVYPLDRAGAHDALQRLDLGDKLFQRCDQLSGGQLQRVGIARVLYQ------RAELILADEPVSAMDPVLAGHTLALLNREAAARGSTLLASLHAVDLALQHFPRVIGLRAGR-IAFDLPAGEVDRAALDALYANEQLQAERASPAGEPAVMHIPRC
4G1U Chain:D ((20-245))
-----------HVQQQALINDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPKALARTRAVMR-QYSELAFPFS-----VSEVI--QMGRAPYGGS-------QDRQALQQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLNAETLTQWY------------------------
General information:
TITO was launched using:
RESULT:
Template:
4G1U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123871 for 1642 contacts (-75.4/contact) +
2D Compatibility (PS) -22818 + (NN) -11900 + (LL) 3600
1D Compatibility (HY) -14800 + (ID) 3850
Total energy: -173639.0 ( -105.75 by residue)
QMean score : 0.441
(partial model without unconserved sides chains):
PDB file :
Tito_4G1U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G1U-query.scw
PDB file :
Tito_Scwrl_4G1U.pdb
: