Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDRKTLDDTSKFLSYVLRHQPEAIGLTLDGEGWADIDALIAGAARDGRALDRMLLGAVVENNDKKRFALSADGQRIRAVQGHSHAAVAIAYAPAVPPAVLYHGTASRFLDSIRERGLVPGS--------RHHVHLSARRATALEVGRRYGSPVLLEIDARDMHLAGHLFHQAENGVWLTERVPVRFIREA
2PQF Chain:A ((17-117))
-------------------------LSSSSEEYQKVWNLFNRT---LPFYFVQKIERVQNLALWEVYQWQK--GQMQKQNGG----------KAVDERQLFHGTSAIFVDAICQQNFDWRVCGVHGTSYGKGSYFARDAAYSHHYSKSDTQTHTMFLARVLVGEFVRGNASFVRPPAKEGWAFYDSCVNS
General information:
TITO was launched using:
RESULT:
Template:
2PQF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -5229 for 449 contacts (-11.6/contact) +
2D Compatibility (PS) -10001 + (NN) -2128 + (LL) 2748
1D Compatibility (HY) -4400 + (ID) 750
Total energy: -19760.0 ( -44.01 by residue)
QMean score : -0.061
(partial model without unconserved sides chains):
PDB file :
Tito_2PQF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PQF-query.scw
PDB file :
Tito_Scwrl_2PQF.pdb
: