Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKVIIITGGCQGLGRAMGEYLAGKGARLALVDLNRERLDEAVAACKAAGGDARAYVCNVADEEQVTHMVAQVASDFGAINGLVNNAGILRDGLTIKVKDGQLSKMSLAQWQSVIDVNLTGVFLCTREVAAKMIELKNEGAIVNISSI-SRAGNMGQANYSAAKAGVAADTVVWAKELARYGIRVAGVAPGFIETEMTAGMKPEALEKMTAGIPLKRMGKPVEIAHSVAYIF--ENDYYTGRVLELDGGLRL
3RRO Chain:A ((8-250))
MNLEGKVALVTGASRGIGKAIAELLAERGAKVIGTATSE---SGAQAISDYLGDNGKGMALNVTNPESIEAVLKAITDEFGGVDILVNNAGITRDNLLMRMKE--------EEWSDIMETNLTSIFRLSKAVLRGMMK-KRQGRIINVGSVVGTMGNAGQANYAAAKAGVIGFTKSMAREVASRGVTVNTVAPGFIETDMTKALNDEQRTATLAQVPAGRLGDPREIASAVAFLASPEAAYITGETLHVNGGMYM
General information:
TITO was launched using:
RESULT:
Template:
3RRO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128645 for 2054 contacts (-62.6/contact) +
2D Compatibility (PS) -25970 + (NN) -7976 + (LL) 1072
1D Compatibility (HY) -16400 + (ID) 4600
Total energy: -182519.0 ( -88.86 by residue)
QMean score : 0.512
(partial model without unconserved sides chains):
PDB file :
Tito_3RRO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RRO-query.scw
PDB file :
Tito_Scwrl_3RRO.pdb
: