Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQDYISYIRSKVGHETIFLTYSGGILTDGKGRVLLQLRADKNSWGIIGGCMELGESSVDTLKREFFEETGLRVEPIRLLNVYTNFQDSYPNGDKAQTVGFIYEVSCPKPVNIEGFHNEETLQLDYFSKEDVKNITIV-NEQHQLILDEYFSQTFQMGR
3I7U Chain:A ((3-130))
------------------KEFSAGGVLFK-DGEVLLIKTP-SNVWSFPKGNIEPGEKPEETAVREVWEETGVKGEILDYIGEIHYWYTL--KGERIFKTVKYYLMKYKEG-EPRP--SWEVKDAKFFPIKEAKK--LLKYKGDKEIFEKALKLKEKFK-
General information:
TITO was launched using:
RESULT:
Template:
3I7U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60351 for 989 contacts (-61.0/contact) +
2D Compatibility (PS) -13322 + (NN) -2796 + (LL) 1888
1D Compatibility (HY) -2800 + (ID) 1350
Total energy: -78731.0 ( -79.61 by residue)
QMean score : 0.523
(partial model without unconserved sides chains):
PDB file :
Tito_3I7U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3I7U-query.scw
PDB file :
Tito_Scwrl_3I7U.pdb
: