Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQLPRVGLGTDVHPIEPGRPCWLVGLLFPSADGCAGHSDGDVAVHALCDAVLSAAGLGDIGEVFGVDDPRWQGVSGADMLRHVVVLITQHGYRVGNAVVQVIGNRPKIGWRRLEAQAVLSRLLNAP---VSVSATTTDGLGLTGRGEGLAAIATALVVSLR
3IKF Chain:A ((8-161))
-----RIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHFSDTDPRFKGADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVV---
General information:
TITO was launched using:
RESULT:
Template:
3IKF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146691 for 1286 contacts (-114.1/contact) +
2D Compatibility (PS) -16677 + (NN) -12029 + (LL) 532
1D Compatibility (HY) -8000 + (ID) 3150
Total energy: -186015.0 ( -144.65 by residue)
QMean score : 0.507
(partial model without unconserved sides chains):
PDB file :
Tito_3IKF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IKF-query.scw
PDB file :
Tito_Scwrl_3IKF.pdb
: