Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVEPDVETLDPPLPPVPDGAVMVTVKIARFNPD-DPDAFAATGGWQSFRVPCLP-SDRLLNLLIYIKGYLDGTLTFRRSCAHGVCGSDAMRINGVNRLACKVLMRDLLPKKKGKSLTVTVEPIRGLPVEKDLVVDMEPFFDAYRAIKPYLITSGNPP--TRERIQSPTDRARYDDTTKCILCACCTTSCPVFWHEG-SYFGPAAIVNAHRFIFDSRDEAAAERLDILNEVDGVWRCRTTFNCTESCPRGIEVTKAIQEVKRALMFTR
2H88 Chain:B ((8-245))
-------------------TSRIKKFSIYRWDPDKPGDK----PRMQTYEVDLNKCGPMVLDALIKIKNELDSTLTFRRSCREGICGSCAMNIAGGNTLACTKKIDPDL------SKTTKIYPLPHMYVVKDLVPDLSNFYAQYKSIEPYLKKKDESKQGKEQYLQSIEDRQKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDYTEERLAQLQDPFSLYRCHTIMNCTRTCPKGLNPGKAIAEIKKMMATY-
General information:
TITO was launched using:
RESULT:
Template:
2H88.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -143389 for 1748 contacts (-82.0/contact) +
2D Compatibility (PS) -25277 + (NN) -15911 + (LL) 816
1D Compatibility (HY) -19200 + (ID) 4800
Total energy: -207761.0 ( -118.86 by residue)
QMean score : 0.419
(partial model without unconserved sides chains):
PDB file :
Tito_2H88.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2H88-query.scw
PDB file :
Tito_Scwrl_2H88.pdb
: