Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQASSTDTPFV-IAGRTYGSRLLVGTGKYKDLDETRRAIEASGAEIVTVAVRRTNIGQNPDEPNLLDVIPPDRYTILPNTAGCYDAVEAVRTCRLARELLDGHNLVKLEVLADQKTLFPNVVETLKAAEQLVKDGFDVMVYTSDDPIIARQLAEIGCIAVMPLAGLIGSGLGICNPYNLRIILEEAKVPVLVDAGVGTASDAAIAMELGCEAVLMNTAIAHAKDPVMMAEAMKHAIVAGRLAYLAGRMPRKLYASASSPLDGLID
4N6E Chain:A ((11-250))
-------DEPWLKIGAREFRSRILVGIEQYDSVPLVRDVLNAAGADVFITTVDPDNRRSSLLLMDLADELPLDDFTWIGTTSFARTKESALRSARILRDSL-GIEILKLDVRGDDNT--PDNAGTVEAARELRAEGMELLPFILPDLATARALEEAGCAALRVMASPVASGRGIANPAAIRELIEQIGIPVVVEGGIGSARHVAEAMELGASATLVNTALVRAESPLLMAAAMRQAALAGLLSYESGPMPEVAA------------
General information:
TITO was launched using:
RESULT:
Template:
4N6E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -177231 for 2016 contacts (-87.9/contact) +
2D Compatibility (PS) -26994 + (NN) -18385 + (LL) 1268
1D Compatibility (HY) -11600 + (ID) 4350
Total energy: -237292.0 ( -117.70 by residue)
QMean score : 0.474
(partial model without unconserved sides chains):
PDB file :
Tito_4N6E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4N6E-query.scw
PDB file :
Tito_Scwrl_4N6E.pdb
: