Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVEPDVETLDPPLPPVPDGAVMVTVKIARFNPDDPDAFAATGGWQSFRVPCLPSDRLLNLLIYIKGYLDGTLTFRRSCAHGVCGSDAMRINGVNRLAC-KVLMRDLLPKKKGKSLTVTVEPIRGLPVEKDLVVDMEPFFDAYRAIKPYLITSGNPPT--RERIQSPTDRARYDDTTKCILCACCTTSCPVFWHEG-SYFGPAAIVNAHRFIFDSRDEAAAERLDILNEVDGVWRCRTTFNCTESCPRGIEVTKAIQEVKRALMFTR
2H89 Chain:B ((16-242))
---------------------------IYRWDPDKPGDKPRMQTYEVDLNKCGP--MVLDALIKIKNELDSTLTFRRSCREGICGSCAMNIAGGNTLACTKKIDPDL-------SKTTKIYPLPHMYVVKDLVPDLSNFYAQYKSIEPYLKKKDESKQGKEQYLQSIEDRQKLDGLYECILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDYTEERLAQLQDPFSLYRCHTIMNCTRTCPKGLNPGKAIAEIKKMM----
General information:
TITO was launched using:
RESULT:
Template:
2H89.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126812 for 1660 contacts (-76.4/contact) +
2D Compatibility (PS) -23579 + (NN) -12466 + (LL) 1680
1D Compatibility (HY) -18400 + (ID) 4900
Total energy: -184477.0 ( -111.13 by residue)
QMean score : 0.357
(partial model without unconserved sides chains):
PDB file :
Tito_2H89.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2H89-query.scw
PDB file :
Tito_Scwrl_2H89.pdb
: