Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLVIDVGNTNTVLGVYHDGKLEYHWRIETSRHKTEDEFGMILRSLFDHSGLMFEQIDGIIISSVVPPIMFALERMCTKYFHIEPQIVGPGMKTGLNIKYD--NPKEVGADRIVNAVAAIHLYGNPLIVVDFGTATTYCYIDENKQYMGGAIAPGITISTEALYSRAAKLPRIEITRPDNIIGKNTVSAMQSGILFGYVGQVEGIVKRMKWQAKQEPKVIATGGLAPLIANESDCI--DIVDPFLTLKGLELIYERNRVGSV
3BEX Chain:F ((4-242))
MYLLVDVGNTHSVFSITEDGKTFRRWRLSTGVFQTEDELFSHLHPLL---GDAMREIKGIGVASVVPTQNTVIERFSQKYFHISPIWVKA--KNGC-VKWNVKNPSEVGADRVANVVAFVKEYGKNGIIIDMGTATTVDLV-VNGSYEGGAILPGFFMMVHSLFRGTAKLPLVEVKPADFVVGKDTEENIRLGVVNGSVYALEGIIGRIKEVYGDLP-VVLTGGQSKIV---KDMIKHEIFDEDLTIKGV------------
General information:
TITO was launched using:
RESULT:
Template:
3BEX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -202900 for 1870 contacts (-108.5/contact) +
2D Compatibility (PS) -24957 + (NN) -9495 + (LL) 1036
1D Compatibility (HY) -20000 + (ID) 4950
Total energy: -261266.0 ( -139.71 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_3BEX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BEX-query.scw
PDB file :
Tito_Scwrl_3BEX.pdb
: