Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
APRGAHGAGECGRTPADEMALKLAPCASAGQDPNS---------------APSSGCCTAVRTIGKQSPKCLCAVMLSDTA----K-SAG---I--KPEAAISIPKRCNLVDRPVGYKCGAYTLP
1SM7 Chain:A ((14-100))
---------------------HLRACQQWIRQQLAGSPFSENQWGPQQGPSLREQCCNELYQE---DQVCVCPTLKQAAKSVRVQGQHGPFQSTRIYQIAKNLPNVCNMKQ-------------
General information:
TITO was launched using:
RESULT:
Template:
1SM7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -41039 for 395 contacts (-103.9/contact) +
2D Compatibility (PS) -6098 + (NN) 1019 + (LL) 976
1D Compatibility (HY) -2400 + (ID) 550
Total energy: -48092.0 ( -121.75 by residue)
QMean score : 0.183
(partial model without unconserved sides chains):
PDB file :
Tito_1SM7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1SM7-query.scw
PDB file :
Tito_Scwrl_1SM7.pdb
: