Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPLGHIMRLDLEKIALEYIVPCLHEVGFCYLDNFLGEVVGDCVLERVKQLHCTGALRDGQLAGPRAGVSKRHLRGDQITWIGGNEEGCEAISFLLSLIDRLVLYCGSRLGKYYVKERSKAMVACYPGNGTGYVRHVDNPNGDGRCITCIYYLNKNWDAKLHGGILRIFPEGKSFIADVEPIFDRLLFFWSDRRNPHEVQPSYATRYAMTVWYFDAEERAEAKKKFRNLTRKTESALTED
4BQX Chain:A ((14-229))
--------LPALKLALEYIVPCMNKHGICVVDDFLGKETGQQIGDEVRALHDTGKFTDGQLVSQKSDSSK-DIRGDKITWIEGKEPGCETIGLLMSSMDDLIRHCNGKLGSYKINGRTKAMVACYPGNGTGYVRHVDNPNGDGRCVTCIYYLNKDWDAKVSGGILRIFPEGKAQFADIEPKFDRLLFFWSDRRNPHEVQPAYATRYAITVWYFDADERARAKVKY--------------
General information:
TITO was launched using:
RESULT:
Template:
4BQX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -176913 for 1704 contacts (-103.8/contact) +
2D Compatibility (PS) -24451 + (NN) -20246 + (LL) 1668
1D Compatibility (HY) -23200 + (ID) 7100
Total energy: -250242.0 ( -146.86 by residue)
QMean score : 0.578
(partial model without unconserved sides chains):
PDB file :
Tito_4BQX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BQX-query.scw
PDB file :
Tito_Scwrl_4BQX.pdb
: