Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDYQETLYQGYGQRFSIDNMLHEVRTEHQHLVIFENARMGRVMALDGVIQTTEADEFIYHEMLTHVPILAHGAARRVLIIGGGDGGMLREVAKHKSVERITMVEIDGTVVDMCKEFLPNHSQGAFDDPRLNLVIDDGMRFVATTEERFDVIISDSTDPI-GPGEVLFSENFYQACRRCLNEGGILVTQNGTPFMQLEEVRTTAARTDGLFADWHFYQAAVPTYIGGAMTFAWGSTHEGLRRLPLETL-RQRFRDSGIATRYYNADIHLGAFALPQYVLQAIGKQDND
1JQ3 Chain:D ((29-294))
------------GLFMKMNRVIYSGQSDIQRIDIFENPDLGVVFALDGITMTTEKDEFMYHEMLAHVPMFLHPNPKKVLIIGGGDGGTLREVLKHDSVEKAILCEVDGLVIEAARKYLKQTSCG-FDDPRAEIVIANGAEYVRKFKNEFDVIIIDSTDPTAGQGGHLFTEEFYQACYDALKEDGVFSAETEDPFYDIGWFKLAYRRISKVFPITRVYLGFMTTYPSGMWSYTFAS--KGID--PIKDFDPEKVRKFNKELKYYNEEVHVASFALPNFVKKELGLM---
General information:
TITO was launched using:
RESULT:
Template:
1JQ3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169753 for 2328 contacts (-72.9/contact) +
2D Compatibility (PS) -28561 + (NN) -13896 + (LL) 1404
1D Compatibility (HY) -24400 + (ID) 5350
Total energy: -240556.0 ( -103.33 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_1JQ3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JQ3-query.scw
PDB file :
Tito_Scwrl_1JQ3.pdb
: