Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRDAALRYPNILFDLDGTLTDPREGITRSVQFALARLGIDEPDLARLEHFIGPPLLQC---FMQTYGFD--EARAWEAVNHYRERFRVTGLYENRVFDGIPELLEALVGRGHTLYVATSKPGVFAREIARHFAFDRHFKAIYGSELDGTRTHKEELIRHLLDSEGLAAEHCLMIGDRMHDLLGASRNGVACIGVGYGFGSEDELRAHQPTHYCADLAALRQVLESH
3S6J Chain:A ((5-221))
------PQTSFIFDLDGTLTDSVYQNVAAWKEALDAENIPLAM-WRIHRKIGMSGGLMLKSLSRE----ITDEQAERLSEKHAQAYERL-QHQIIALPGAVELLETLDKENLKWCIATSGGIDTATINLKALKLDINKINIVTRDDVSYGKPDPDLFLAAAKKIGAPIDECLVIGDAIWDMLAARRCKATGVGLLSGGYDIGELERAGALRVYEDPLDLLNHLDEI
General information:
TITO was launched using:
RESULT:
Template:
3S6J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113123 for 1852 contacts (-61.1/contact) +
2D Compatibility (PS) -23488 + (NN) -17778 + (LL) 676
1D Compatibility (HY) -3600 + (ID) 2300
Total energy: -159613.0 ( -86.18 by residue)
QMean score : 0.471
(partial model without unconserved sides chains):
PDB file :
Tito_3S6J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S6J-query.scw
PDB file :
Tito_Scwrl_3S6J.pdb
: