Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIRSYQGKTPLLGERVFVDPSAVLVGDIEIGADSSVWPLVVIRGDMHRIRIGQRSSIQDGSVLHITHAGPFNPDGFPLSIGDEVTVGHKVLLHGCSIGNRVLVGMGSIVMDGAVIEDEVILGAGSLVPPGKVLESGFLYVGSPAKKARPLSDKERGFFAYTAGNYVKLKDLHIAEDYHA
3R1W Chain:A ((11-187))
-SVRTYQGISPKLGERVFVDRSSVIIGDVELGDDCSVWPLAVIRGDMHHIRIGARTSVQDGSVLHITHASDYNPGGYPLIIGDDVTIGHQAMLHGCTIGNRVLIGMKSMIMDGAIVEDEVIVAAGATVSPGKVLESGFVYMGTPAKKVRPITEKERSFFTYGAGNYVRLKDKHLAEGYDR
General information:
TITO was launched using:
RESULT:
Template:
3R1W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146888 for 1492 contacts (-98.5/contact) +
2D Compatibility (PS) -20056 + (NN) -14829 + (LL) 208
1D Compatibility (HY) -22400 + (ID) 6050
Total energy: -210015.0 ( -140.76 by residue)
QMean score : 0.583
(partial model without unconserved sides chains):
PDB file :
Tito_3R1W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R1W-query.scw
PDB file :
Tito_Scwrl_3R1W.pdb
: