Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQDYISYIRSKVGHETIFLTYSGGILTDGKGRVLLQLRADKNSWGIIGGCMELGESSVDTLKREFFEETGLRVEPIRLLN---------------VYTNFQDSYPNGDKAQTVGFIYEVSCPKPVNIEGFHNEETLQLDYFSKEDVKNITIVNEQHQLILDEYFSQTFQMGR-
1K2E Chain:A ((1-152))
-------------------MIVTSGVLVEN-GKVLLVKHKRLGVYIYPGGHVEHNETPIEAVKREFEEETGIVVEPIGFTYGIIDENAVERPMPLVILEEVVKYPEETHIHFDLIYLVKRVGGDLKNGEWIDVREIDRIETFP--NVRKVVSLALSTLYRLGKISKLAAALEHH
General information:
TITO was launched using:
RESULT:
Template:
1K2E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -35708 for 933 contacts (-38.3/contact) +
2D Compatibility (PS) -14127 + (NN) 587 + (LL) 1804
1D Compatibility (HY) -6800 + (ID) 1400
Total energy: -55644.0 ( -59.64 by residue)
QMean score : 0.282
(partial model without unconserved sides chains):
PDB file :
Tito_1K2E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1K2E-query.scw
PDB file :
Tito_Scwrl_1K2E.pdb
: