Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKKLAWYWSFVELIKGFIITLRYAFKPKVTLKYPMEKGPLSPRFRGEHALRRYSNGEERCIACKLCEVICPAQAIVIEAEERED------GSRRTTRYDIDMTKCIYCGLCQEACPVDAIVEGPNFEFATETREELMYNKEKLLRNGEIWEEAIALRLKKDVSYH
3IAS Chain:Y ((26-137))
---------------------------------YPDAPVALKPRFHGRHVLTRHPNGLEKCIGCSLCAAACPAYAIYVEPAENDPENPVSAGERYAKVYEINMLRCIFCGLCEEACPTGAIVLGYDFEMADYEYSDLVYGKEDMLVDVVGTKPQRREAKRTGKPVK
General information:
TITO was launched using:
RESULT:
Template:
3IAS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48374 for 692 contacts (-69.9/contact) +
2D Compatibility (PS) -10561 + (NN) -1256 + (LL) 3616
1D Compatibility (HY) -10800 + (ID) 2600
Total energy: -69975.0 ( -101.12 by residue)
QMean score : 0.338
(partial model without unconserved sides chains):
PDB file :
Tito_3IAS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IAS-query.scw
PDB file :
Tito_Scwrl_3IAS.pdb
: