Wed, 01/06/2021 - 23:55
#2
CMS not capped?
Seems like the ContactMolecularSurface bonus is not capped to 500pts. I get a bonus in excess of 3000 which is nice for the score but is this intended?
Sat, 01/09/2021 - 03:21
#3
CMS
Unfortunately there were some issues with the CMS objective that will be fixed for future. Any adversarial examples can still be used to test out future objective settings.
Fri, 01/08/2021 - 10:00
#4
The CMS produce wrong Sidechains!
have everything documented in Discord:
https://discordapp.com/channels/676550660694605825/685215543338336347/797027742620188673
Residue Count (max +250)
Penalizes extra residues inserted beyond the starting 240, at a cost of 25 points per residue beyond 250. Players may use up to 260 residues in total.
Core Existence: LCB1 (max +2400)
Ensures that at least 34 percent of residues are buried in the core of the LCB1-linker unit.
Core Existence: LCB3 (max +2400)
Ensures that at least 34 percent of residues are buried in the core of the LCB3-linker unit.
Core Existence: Linker (max +2400)
Ensures that at least 35 percent of residues are buried in the core of the LCB3-linker unit.
Interaction Energy (max +500)
Monitors that all large PHE, TYR, and TRP residues are scoring well.
SS Design (max +500)
Prohibits CYS residues. Penalizes GLY, ALA residues in sheets. Penalizes GLY, ALA, SER, THR in helices.
Ideal Loops (max +500)
Penalizes any loop region that does not match one of the Building Blocks in the Blueprint tool. Use "Auto Structures" to see which regions of your protein count as loops.
Secondary Structure (max +500)
Checks that the residues near the LCB1 terminus are in helices.
ContactMolecularSurface (max +500)
Checks that the designed linker has an energetically favorable interface with the binders.