Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVEPDVETLDPPLPPVPDGAVMVTVKIARFNPDDPDAFAATGGWQSFRV---PCLPSDRLLNLLIYIKGYLDGTLTFRRSCAHGVCGSDAMRINGVNRLACKVLMRDLLPKKKGKSLTVTVEPIRGLPVEKDLVVDMEPFFDAYRAIKPYLI--TSGNPPTRERIQSPTDRARYDDTTKCILCACCTTSCPVFW-HEGSYFGPAAIVNAHRFIFDSRDEAAAERLDILNEVDGVWRCRTTFNCTESCPRGIEVTKAIQEVKRALMFTR
4YSZ Chain:B ((33-266))
--------------------KRIKTFEIYRFNPEEP---GAKPKLQKFDVDLDKC--GTMVLDALIKIKNEVDPTLTFRRSCREGICGSCAMNIAGENTLAC------ICNIDQNTSKTTKIYPLPHMFVIKDLVPDMNLFYAQYASIQPWLQKKTKINLGEKQQYQSIKEQEKLDGLYECILCACCSASCPSYWWNADKYLGPAVLMQAYRWIIDSRDDSAAERLARMQDGFSAFKCHTIMNCTKTCPKHLNPARAIGEIKMLL----
General information:
TITO was launched using:
RESULT:
Template:
4YSZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147619 for 1747 contacts (-84.5/contact) +
2D Compatibility (PS) -24770 + (NN) -17331 + (LL) 1520
1D Compatibility (HY) -20800 + (ID) 4850
Total energy: -213850.0 ( -122.41 by residue)
QMean score : 0.443
(partial model without unconserved sides chains):
PDB file :
Tito_4YSZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4YSZ-query.scw
PDB file :
Tito_Scwrl_4YSZ.pdb
: