Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNPQPEKVRVVVGDDHPLFREGVVRALSLSGSVNVVGEADDGAAALELIKAH--LPDVALLDYRMPGMDGAQVAAAVRSYELP-TRVLLISAHDEPAIVYQALQQGAAGFLLKDSTRTEIVKAVLDCAKGRDVVAPSLVGGLAGEIRQRAAPVAPVLSAREREVLNRIACGQSIPAIAAELYVAPSTVKTHVQRLYEKLGVSDRAAAVAEAMRQRLLD
4GVP Chain:A ((3-208))
--------IKVLFVDDHEMVRIGISSYLSTQSDIEVVGEGASGKEAIA--KAHELKPDLILMDLLMEDMDGVEATTQIKK-DLPQIKVLMLTSFIEDKEVYRALDAGVDSYILKTTSAKDIADAVRKTSRGESVFEPEVLVKMRNRMKKR-AELYEMLTEREMEILLLIAKGYSNQEIASASHITIKTVKTHVSNILSKLEVQDRTQAVIYAFQHNLI-
General information:
TITO was launched using:
RESULT:
Template:
4GVP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -117630 for 1641 contacts (-71.7/contact) +
2D Compatibility (PS) -22241 + (NN) -10990 + (LL) 648
1D Compatibility (HY) -17600 + (ID) 3550
Total energy: -171363.0 ( -104.43 by residue)
QMean score : 0.647
(partial model without unconserved sides chains):
PDB file :
Tito_4GVP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GVP-query.scw
PDB file :
Tito_Scwrl_4GVP.pdb
: