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:A ((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) -126950 for 1978 contacts (-64.2/contact) +
2D Compatibility (PS) -25725 + (NN) -7292 + (LL) 1192
1D Compatibility (HY) -15600 + (ID) 4800
Total energy: -179175.0 ( -90.58 by residue)
QMean score : 0.492
(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
: