Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHNDLKEVLLTEEDIQNICKELGAQLTKDYQGK-------PLVCVGILKGSAMFMSDLIKRI---DTHLSIDFMDVSSYHGGTESTGEVQIIKDLGSSIENKDVLIIEDILETGTTLKSITELLQSRKVNSLEIVTLLDKPNRRKADIEAKYVGKKIPDEFVVGYGLDYRELYRNLPYIGTLKPEVYSN
1P17 Chain:A ((9-191))
-----EKILFTEEEIRTRIKEVAKRIADDYKGKGLRPYVNPLVLISVLRGSFMFTADLCRALCDFNVPVRMEFICVSSYG---TSSGQVRMLLDTRHSIEGHHVLIVEDIVDTALTLNYLYHMYFTRRPASLKTVVLLDKREGRRVPFSADYVVANIPNAFVIGYGLDYDDTYRELRDIVVLRPEVYA-
General information:
TITO was launched using:
RESULT:
Template:
1P17.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -120350 for 1292 contacts (-93.2/contact) +
2D Compatibility (PS) -18300 + (NN) -1985 + (LL) -100
1D Compatibility (HY) -20800 + (ID) 3650
Total energy: -165185.0 ( -127.85 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_1P17.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1P17-query.scw
PDB file :
Tito_Scwrl_1P17.pdb
: