Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQLKDKVIIITGGCQGLGRAMGEYLAGKGARLAL-VDLNRERLDEAVAACKAAGGDARAYVCNVADEEQVTHMVAQVASDFGAINGLVNNAGILRDGLTIKVKDGQLSKMSLAQWQSVIDVNLTGVFLCTREVAAKMIELKNEGAIVNISSISRA-GNMGQANYSAAKAGVAADTVVWAKELARYGIRVAGVAPGFIETEMTAGMKPEALEKMTAGIPLKRMGKPVEIAHSVAYIFEN--DYYTGRVLELDGGLRL
3SJ7 Chain:A ((11-252))
-----KSALVTGASRGIGRSIALQLAEEGYNVAVNYAGSKEKAEAVVEEIKAKGVDSFAIQANVADADEVKAMIKEVVSQFGSLDVLVNNAGITRDNLLMRMKE--------QEWDDVIDTNLKGVFNCIQKATPQMLRQRS-GAIINLSSVVGAVGNPGQANYVATKAGVIGLTKSAARELASRGITVNAVAPGFIVSDMT----DELKEQMLTQIPLARFGQDTDIANTVAFLASDKAKYITGQTIHVNGGMYM
General information:
TITO was launched using:
RESULT:
Template:
3SJ7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124336 for 1999 contacts (-62.2/contact) +
2D Compatibility (PS) -25351 + (NN) -7646 + (LL) 1356
1D Compatibility (HY) -15200 + (ID) 5050
Total energy: -176227.0 ( -88.16 by residue)
QMean score : 0.454
(partial model without unconserved sides chains):
PDB file :
Tito_3SJ7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SJ7-query.scw
PDB file :
Tito_Scwrl_3SJ7.pdb
: