Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKVIIITGGCQGLGRAMGEYLAGKGARL-ALVDLNRERLDEAVAACKAAGGDARAYVCNVADEEQVTHMVAQVASDFGAINGLVNNAGILRDGLTIKVKDGQLSKMSLAQWQSVIDVNLTGVFLCTREVAAKMIELKNEGAIVNISSIS-RAGNMGQANYSAAKAGVAADTVVWAKELARYGIRVAGVAPGFIETEMTAGMKPEALEKMTAGIPLKRMGKPVEIAHSVAYIF--ENDYYTGRVLELDGGLRL
4N5N Chain:B ((27-269))
----QRIAYVTGGMGGIGTAICQRLAKDGFRVVAGCGPNSPRREKWLEQQKALGFDFIASEGNVADWDSTKTAFDKVKSEVGEVDVLINNAGITRDVV--------FRKMTRADWDAVIDTNLTSLFNVTKQVIDGMAD-RGWGRIVNISSVNGQKGQFGQTNYSTAKAGLHGFTMALAQEVATKGVTVNTVSPGYIATDMVKAIRQDVLDKIVATIPVKRLGLPEEIASICAWLSSEESGFSTGADFSLNGGLHM
General information:
TITO was launched using:
RESULT:
Template:
4N5N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122329 for 1973 contacts (-62.0/contact) +
2D Compatibility (PS) -25952 + (NN) -8963 + (LL) 1192
1D Compatibility (HY) -15600 + (ID) 4800
Total energy: -176452.0 ( -89.43 by residue)
QMean score : 0.478
(partial model without unconserved sides chains):
PDB file :
Tito_4N5N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4N5N-query.scw
PDB file :
Tito_Scwrl_4N5N.pdb
: