Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKDIIKVDHIFKSIGQKTILEDISFSIASNQCVALIGPNGAGKTTLMSTLLGDISISSGSLTIF--NLPAHHNR-LKYKVAILPQENVLPSKFTVRELIDFQRCLFPEVLPMSLILDYLQWSD--THLQQFTETLSGG-QKRL-LAFVLTLVGKPQ----LLFLDEPTSGMDTSTRQRFWELIATL-KKEGVTIVYSSHYIEEVEHTADRILVLHKGKLLRDTTPFAMKQEKTEKLFTVPLSYQKLLPTYLITECEAKSDSITFVTGEAEAVWKILADNGCPIEAIEMTNRTLLNRIFETTKEVKHENL
4G1U Chain:C ((11-232))
----LLEASHLHYHVQQQALINDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPKALARTRAVMRQYSELAFPFSVSEVIQMGRAPYGGSQDRQALQQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLNAETLTQWYQADLGVSRHPESALPQIYLRQ--------------------------------------------------
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) -174547 for 1617 contacts (-107.9/contact) +
2D Compatibility (PS) -22704 + (NN) -11000 + (LL) 4932
1D Compatibility (HY) -15200 + (ID) 3650
Total energy: -222169.0 ( -137.40 by residue)
QMean score : 0.569
(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
: