Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVGVLGAKGKVGATMVRAVAAAD-DLTLSAELDAG-D-----P-----------------LSLLTDGNTEVVIDFTHPDVVMGNLEFLIDNGIHAVVGTTGFTAERFQQVESWLVAKPNTSVLIAPNFAIGAVLSMHFAKQAARFF---DSAEVIELHHPHKADAPSGTAARTAKLIAEARKGLPPNPDATSTSLPGARGAD-VDGIPVHAVRLAGLVAHQEVLFGTEGETLTIRHDSLDRTSFVPGVLLAVRRIAERPGLTVGLEPLLDLH
4YWJ Chain:A ((11-275))
-RIAVVGAAGRMGKNLIEAVQQTGGAAGLTAAVDRPDSTLVGADAGELAGLGRIGVPLSGDLGKV-CEEFDVLIDFTHPSVTLKNIEQCRKARRAMVIGTTGFSADEKLLLAEAA--KD-IPIVFAANFSVGVNLCLKLLDTAARVLGDEVDIEIIEAHHRHKVDAPSGTALRMGEVVAQALGRDLQ--EVAVYGREGQTGARARETIGFATVRAGDVVGDHTVLFAAEGERVEITHKASSRMTFARGAVRAALWLEGKENGLYDMQDVLGL-
General information:
TITO was launched using:
RESULT:
Template:
4YWJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -165913 for 1868 contacts (-88.8/contact) +
2D Compatibility (PS) -26019 + (NN) -12404 + (LL) 340
1D Compatibility (HY) -13600 + (ID) 3800
Total energy: -221396.0 ( -118.52 by residue)
QMean score : 0.666
(partial model without unconserved sides chains):
PDB file :
Tito_4YWJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YWJ-query.scw
PDB file :
Tito_Scwrl_4YWJ.pdb
: