Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLRRP----VLEDKEEILAMYKEFQKESSSVDGGF-YEPT-MHFEDWLDHNLNMELGVGVPDNFVPYIQFVSFDNDNNAIGFLNLRLRLNDTLLEKGGHIGYS-IRPRQRGKGYAKEQL-KLGIEQAHLKNINEILVTCHVDNDASKSVI---LANGGVLEDCLHQTERYWIT--------
1GHE Chain:A ((4-173))
AQLRRVTAESFAHYRHGLAQLLFETVHGGASV--GFMADLDMQQAYAWCDGL--------KADIAAGSLLLWVVAEDDNVLASAQLSLCQKPNG-LNRAEVQKLMVLPSARGRGLGRQ-LMDEVEQVAVKHKRGLLHLDTEAGSVAEAFYSALAYTRVGELPGYCATPDGRLHPTAIYFKTL
General information:
TITO was launched using:
RESULT:
Template:
1GHE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -31532 for 1062 contacts (-29.7/contact) +
2D Compatibility (PS) -16321 + (NN) -7066 + (LL) 480
1D Compatibility (HY) -400 + (ID) 1200
Total energy: -56039.0 ( -52.77 by residue)
QMean score : 0.244
(partial model without unconserved sides chains):
PDB file :
Tito_1GHE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1GHE-query.scw
PDB file :
Tito_Scwrl_1GHE.pdb
: