Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAINIIEYNRSYKEELIEFILSIQKNEFNIK---IDRD--DQPDLEN----IEHNYLNSGGQFWLAINNHQNIVGTIGLIRLDN----NMSALKKMFVDKGYRNLKIGKKLLDKVIMTCKEQNIDGIYLGTIDKFISAQYFYSNNGFREIKRGDLPSSF-PKLDVDNRFYYRNLKD
1GHE Chain:A ((4-173))
--AQLRRVTAESFAHYRHGLAQLLFETVHGGASVGFMADLDMQQAYAWCDGLKADIAAGSLLLWVVAED-DNVLASAQLSLCQKPNGLNRAEVQKLMVLPSARGRGLGRQLMDEVEQVAVKHKRGLLHLDTE-AGSVAEAFYSALAYTRVGELPGYCATPDGRLHPTAIYFKTL--
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) -66790 for 1129 contacts (-59.2/contact) +
2D Compatibility (PS) -15976 + (NN) -3330 + (LL) 308
1D Compatibility (HY) -1600 + (ID) 1000
Total energy: -88388.0 ( -78.29 by residue)
QMean score : 0.401
(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
: