Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMQQLSLKHRLNNGDSVYGIFNSIPDPLMIEVIAASGYDFVVIDTEHVAINDETLAHLIRAAEAAHIIPIVRVTAVIDRDIIKVLDMGARGIIVPHVKDRETVEHIVKLSRYYPQGLRSLN-G-GRMARFGRTPLLDAMEMANEHIMVIAMIEDVEGVMAIDDIAQVEGLDMIVEGAADLSQSLGIPWQTRDDQVTSHVQHIFEVVNAHGKHFCALPREDE-DIAKWQAQGVQTFILGDDRGKIYRHLSASLATSKQKGDDG
2VWS Chain:A ((4-256))
-LLSNPFKERLRKGEVQIGLWLSSTTAYMAEIAATSGYDWLLIDGEHAPNTIQDLYHQLQAVAPYASQPVIRPVEGSKPLIKQVLDIGAQTLLIPMVDTAEQARQVVSATRYPPYGERGVGASVARAARWGR--IENYMAQVNDSLCLLVQVESKTALDNLDEILDVEGIDGVFIGPADLSASLGYPDNAGHPEVQRIIETSIRRIRAAGKAAGFLAV-APDMAQQCLAWGANFVAVGVDTMLYSDALDQRLAMFKS-----
General information:
TITO was launched using:
RESULT:
Template:
2VWS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -180676 for 2029 contacts (-89.0/contact) +
2D Compatibility (PS) -26704 + (NN) -7547 + (LL) -208
1D Compatibility (HY) -10000 + (ID) 3650
Total energy: -228785.0 ( -112.76 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_2VWS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VWS-query.scw
PDB file :
Tito_Scwrl_2VWS.pdb
: