Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQDYISYIRSKVGHETIFLTYSGGILTDGKGRVLLQLRAD-----KNSWGIIGGCMELGESSVDTLKREFFEETGLRVEPIRLLNVYTNFQDSYPNGDKAQTVGFIYEVSCPKPVNIEGFHNEETLQLDYFSKEDVKNITIVNEQHQLILDEYFSQTFQMGR
3GRN Chain:A ((3-137))
--------------LEKPYIISVYALIRNEKGEFLLLRRSENSRTNAGKWDLPGGKVNPDESLKEGVAREVWEETGITMVPGDIAGQVNFELT------EKKVIAIVFDGGYVVA-DVKL--SYEHIEYSWVSLEKILGMETLPAYFRDFFERFDRENKK---
General information:
TITO was launched using:
RESULT:
Template:
3GRN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53662 for 936 contacts (-57.3/contact) +
2D Compatibility (PS) -13885 + (NN) -4288 + (LL) 1460
1D Compatibility (HY) -7200 + (ID) 1050
Total energy: -78625.0 ( -84.00 by residue)
QMean score : 0.526
(partial model without unconserved sides chains):
PDB file :
Tito_3GRN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GRN-query.scw
PDB file :
Tito_Scwrl_3GRN.pdb
: