Recipe: nicm25.dei.TestBaseScoringCL V0

created by Nicm25

Profile

• Name: nicm25.dei.TestBaseScoringCL V0
• ID: 105209
• Shared with: Public
• Parent: None
• Children: None
• Created on: September 26, 2021 at 12:06 PM UTC
• Updated on: September 26, 2021 at 12:06 PM UTC
• Description:

  *demo script, test base scoring CL! (segment select,number repetition,number trimmings,number setmode,number seed,number setcount,bool fixrandom)

Code

-- created by Nicm25;
function pldc()
 local retd=dialog.CreateDialog("TestBaseScoringCL V0 - message")
 retd.la=dialog.AddLabel("when scoring is needed for each segment,\n set divisions number")
 retd.sd=dialog.AddSlider("repetition",1,1,20,0)
 retd.st=dialog.AddSlider("trimmings",0,0,20,0)
 retd.lb=dialog.AddLabel("                                all  ,  few P  ,  no P  ,  no G P")
 retd.sm=dialog.AddSlider("set mode",2,1,4,0)
 retd.lc=dialog.AddLabel("can choose any value you like for random seed")
 retd.sr=dialog.AddSlider("seed",0.5,0.0,1.0,3)
 retd.si=dialog.AddSlider("set count",1,1,50,0)
 retd.ck=dialog.AddCheckbox("fix random",false)
 retd.bt=dialog.AddButton("Check",1)
 retd.bs=dialog.AddButton("Test",2)
 return retd
end

function plfa(avx,avy,avz,ava,avd,avt)
 local lc=0
 local lfx=0
 for lc=avx+ava,avy-ava do
  lfx=avd[lc+3]+((lc-ava-0.5)%avz-0.5)*100
  avt[lfx+20]=avt[lfx+20]+current.GetSegmentEnergyScore(lc)
  avt[lfx+40]=avt[lfx+40]+1
  avt[lfx+60]=avt[lfx+60]+current.GetSegmentEnergySubscore(lc,"clashing")
  avt[lfx+80]=avt[lfx+80]+current.GetSegmentEnergySubscore(lc,"ideality")
  avt[lfx+100]=avt[lfx+100]+current.GetSegmentEnergySubscore(lc,"bonding")
 end
 return 0
end

function plfb(avx,avy,avz,ava,avd,avt)
 local lc=0
 local lfx=0.1415926535897932
 local lfy=avz
 lfx=(lfx*lfx*127+lfy)%1.0
 lfy=(lfx+lfy)%1.0
 lfx=(lfx*101.23457+0.53)%1.0
 lfy=(lfx+lfy)%1.0
 for lc=avx,avy do
  lfx=(lfx*101.23457+0.53)%1.0
  lfy=(lfx+lfy)%1.0
  avd[lc+3]=math.floor(lfy*(ava>2.5 and 22.0-ava or 20.9-ava*0.9)+1.0)
  structure.SetAminoAcid(lc,avt[avd[lc+3]])
 end
end

function plfc(avx,avy,avz,ava)
 local lc=0
 local lfx=0.1415926535897932
 local lfy=avz
 local lfz=0
 lfx=(lfx*lfx*127+lfy)%1.0
 lfy=(lfx+lfy)%1.0
 lfx=(lfx*101.23457+0.53)%1.0
 lfy=(lfx+lfy)%1.0
 lfz=math.floor((avy-avx+1.25)*0.5)+avx
 band.Disable(band.Add(lfz,lfz+1,lfz+2,0.001,0.01,0.01,2,2,2))
 band.SetStrength(band.Add(avx,avx+1,avx+2,0.001,0.01,0.01,2,2,2),0.2)
 band.SetStrength(band.Add(avy,avy-1,avy-2,0.001,0.01,0.01,2,2,2),0.2)
 recentbest.Save()
 behavior.SetClashImportance(0.05)
 structure.ShakeSidechainsAll(1)
 behavior.SetClashImportance(0.25)
 structure.WiggleAll(3)
 for lc=1,6 do
  behavior.SetClashImportance(0.1-lc*0.01)
  structure.ShakeSidechainsAll(1)
  if (lc-0.5)%3.0>2.0 then
   behavior.SetClashImportance(0.25)
   structure.WiggleAll(3)
   behavior.SetClashImportance(0.5)
   structure.ShakeSidechainsAll(1)
  end
  behavior.SetClashImportance(1.0)
  structure.WiggleAll(3)
 end
 recentbest.Restore()
 band.Delete(ava+3)
 band.Delete(ava+2)
 band.DisableAll(false)
 recentbest.Save()
 for lc=1,6 do
  lfx=(lfx*101.23457+0.53)%1.0
  lfy=(lfx+lfy)%1.0
  lfz=math.floor(lfy*(avy-avx+1))+avx
  lfx=(lfx*101.23457+0.53)%1.0
  lfy=(lfx+lfy)%1.0
  lfx=(lfx*101.23457+0.53)%1.0
  band.Add(lfz,lfz+(avy-lfz<1.5 and -1 or 1),lfz+(avy-lfz<1.5 and -2 or 2),1.6-lc*0.1,(lfx+lfy)%1.0*3.14159,lfy*6.28318,2,2,2)
  lfy=(lfx+lfy)%1.0
  structure.WiggleAll(5)
  band.Delete(ava+2)
 end
 recentbest.Restore()
 if band.GetCount(false)>ava+1.5 then
  band.Delete(ava+2)
 end
 if band.GetCount(false)>ava+0.5 then
  band.Enable(ava+1)
  structure.WiggleAll(5)
  band.DeleteAll()
 end
end

function plss()
 local lc=1
 local retd={}
 for lc=1,structure.GetCount() do
  retd[lc]=selection.IsSelected(lc) and 1 or 0
 end
 return retd
end

function run(avs,avx,avy,avz,ava,avb,avc)
local lc=0
local stcd={}
local stcs={}
local setsd=0.0
stcs[1]=structure.GetCount()
stcs[2]=band.GetCount(false)
stcd[1]="A"
stcd[2]="C"
stcd[3]="D"
stcd[4]="E"
stcd[5]="F"
stcd[6]="H"
stcd[7]="I"
stcd[8]="K"
stcd[9]="L"
stcd[10]="M"
stcd[11]="N"
stcd[12]="Q"
stcd[13]="R"
stcd[14]="S"
stcd[15]="T"
stcd[16]="V"
stcd[17]="W"
stcd[18]="Y"
stcd[19]="G"
stcd[20]="P"
stcs[3]=1
if stcs[1]<avy*2.0+0.5 then
 print("sorry not support too few residues.")
 return 1
end
for lc=1,avx*100 do
 stcd[lc+20]=0.0
end
if avb<0.5 then
 for lc=1,stcs[1] do
  stcs[3]=string.byte(structure.GetAminoAcid(lc),1)-97
  stcs[3]=stcs[3]+(stcs[3]<0.5 and 1 or 0)+(stcs[3]>6.5 and -1 or 0)+(stcs[3]>8.5 and -1 or 0)+
   (stcs[3]>14.5 and -2 or 0)+(stcs[3]>20.5 and -1 or 0)+(stcs[3]>23.5 and -1 or 0)+
   (stcs[3]>5.5 and stcs[3]<6.5 and 13 or 0)+(stcs[3]>14.5 and stcs[3]<15.5 and 9 or 0)
  stcs[lc+3]=(stcs[3]-0.5)%20.0+0.5
 end
 plfa(1,stcs[1],avx,avy,stcs,stcd)
 for lc=21,avx*100+20 do
--  print(" stcd["..lc.."]=stcd["..lc..(stcd[lc]<0.0 and"]"or"]+")..stcd[lc])
  print((lc-20)..(stcd[lc]<0.0 and":"or":+")..stcd[lc])
 end
 return 0
end
setsd=avc and ava or ((os.time()%1000.0*101000.0+ava*1000000.0+
 (((os.time()%500000.0)*101.0+0.5)%500000.0-0.5)+0.5)%1000000.0-0.5)*0.000001
-- setsd=0.7262864
if not("Protein Design Sandbox"==puzzle.GetName()) then
 print("this not Protein Design Sandbox")
 print("please try open that puzzle.")
 return 1
end
print("seed: "..(setsd*1000000.0)..",test begin")
behavior.SetWigglePower("h")
undo.SetUndo(false)
save.Quicksave(1)
while avb*20-stcs[3]>-0.5 do
 save.Quickload(1)
 plfb(1,stcs[1],(0.1271*(stcs[3]-1)+setsd)%1.0,avz,stcs,stcd)
 plfc(1,stcs[1],(0.1271*stcs[3]+setsd+0.1)%1.0,stcs[2])
 plfa(1,stcs[1],avx,avy,stcs,stcd)
 if (stcs[3]-0.5)%20.0>19.0 and avb*20-stcs[3]>0.5 then
  undo.SetUndo(true)
  band.DeleteAll()
  undo.SetUndo(false)
  if (stcs[3]-0.5)%100.0>99.0 then
   print("middle result:"..stcs[3])
   for lc=21,avx*100+20 do
--    print(" stcd["..lc.."]=stcd["..lc..(stcd[lc]<0.0 and"]"or"]+")..stcd[lc])
    print((lc-20)..(stcd[lc]<0.0 and":"or":+")..stcd[lc])
   end
  else
   print("comp count:"..stcs[3])
  end
 end
 stcs[3]=stcs[3]+1
end
undo.SetUndo(true)
band.DeleteAll()
print("Last result:")
for lc=21,avx*100+20 do
-- print(" stcd["..lc.."]=stcd["..lc..(stcd[lc]<0.0 and"]"or"]+")..stcd[lc])
 print((lc-20)..(stcd[lc]<0.0 and":"or":+")..stcd[lc])
end
if avx<1.5 then
 print("count:")
 for lc=41,60 do
  print(stcd[(lc-0.5)%20.0+0.5]..":"..stcd[lc])
 end
 print("all:")
 for lc=21,40 do
  lfx=stcd[lc+20]
  print(stcd[lc-20]..":"..(lfx<0.5 and "none" or (stcd[lc])/lfx))
 end
 print("subs:(clashing,ideality,bonding)")
 for lc=61,120 do
  lfx=(lc-0.5)%20.0+0.5
  lfx=stcd[lfx+40]
  print(stcd[(lc-0.5)%20.0+0.5]..":"..(lfx<0.5 and "none" or stcd[lc]/lfx))
 end
end
return 0
end

function runs(avx,avy)
local lc=0
local lfx=0
local lfy=0
local lfz=0
local stcd={}
stcd[1]="A"
stcd[2]="C"
stcd[3]="D"
stcd[4]="E"
stcd[5]="F"
stcd[6]="H"
stcd[7]="I"
stcd[8]="K"
stcd[9]="L"
stcd[10]="M"
stcd[11]="N"
stcd[12]="Q"
stcd[13]="R"
stcd[14]="S"
stcd[15]="T"
stcd[16]="V"
stcd[17]="W"
stcd[18]="Y"
stcd[19]="G"
stcd[20]="P"
for lc=1,avx*100 do
 stcd[lc+20]=0.0
end
-- data come here!
-- print("data dump:")
-- for lc=21,avx*100+20 do
-- print(" stcd["..lc.."]=stcd["..lc..(stcd[lc]<0.0 and"]"or"]+")..stcd[lc])
-- end
-- testing group count: 3-7
-- testing other count: 1,2,8,9
lfz=3
print("g_count:")
for lc=41,60 do
 print(stcd[(lc-0.5)%20.0+0.5]..":"..(stcd[lc+lfz*100]+stcd[lc+lfz*100+100]+
  stcd[lc+lfz*100+200]+stcd[lc+lfz*100+300]))
end
print("g_all:")
for lc=21,40 do
 lfx=stcd[lc+lfz*100+20]+stcd[lc+lfz*100+120]+stcd[lc+lfz*100+220]+stcd[lc+lfz*100+320]
 print(stcd[lc-20]..":"..(lfx<0.5 and "none" or (stcd[lc+lfz*100]+
  stcd[lc+lfz*100+100]+stcd[lc+lfz*100+200]+stcd[lc+lfz*100+300])/lfx))
end
print("g_subs:(clashing,ideality,bonding)")
for lc=61,120 do
 lfx=(lc-0.5)%20.0+0.5
 lfx=stcd[lfx+lfz*100+40]+stcd[lfx+lfz*100+140]+stcd[lfx+lfz*100+240]+stcd[lfx+lfz*100+340]
 print(stcd[(lc-0.5)%20.0+0.5]..":"..(lfx<0.5 and "none" or
  (stcd[lc+lfz*100]+stcd[lc+lfz*100+100]+stcd[lc+lfz*100+200]+stcd[lc+lfz*100+300])/lfx))
end
lfy=0
while lfy<5.5 do
 print("BP"..(lfy+1).."_count:")
 for lc=41,60 do
  print(stcd[(lc-0.5)%20.0+0.5]..":"..stcd[lc+((lfy+lfz+4.5)%avx-0.5)*100])
 end
 print("BP"..(lfy+1).."_all:")
 for lc=21,40 do
  lfx=stcd[lc+((lfy+lfz+4.5)%avx-0.5)*100+20]
  print(stcd[lc-20]..":"..(lfx<0.5 and "none" or stcd[lc+((lfy+lfz+4.5)%avx-0.5)*100]/lfx))
 end
 print("BP"..(lfy+1).."_subs")
 for lc=61,120 do
  lfx=(lc-0.5)%20.0+0.5
  lfx=stcd[lfx+((lfy+lfz+4.5)%avx-0.5)*100+40]
  print(stcd[(lc-0.5)%20.0+0.5]..":"..(lfx<0.5 and "none" or stcd[lc+((lfy+lfz+4.5)%avx-0.5)*100]/lfx))
 end
 lfy=lfy+1
end
-- for lc=1,20 do
-- print(stcd[lc]..","..(stcd[lc+740]+stcd[lc+840]+stcd[lc+940]+
--  stcd[lc+40]+stcd[lc+140]+stcd[lc+240])..","..
--  string.format("%5.3f",stcd[lc+740]<0.5 and "none" or stcd[lc+720]/stcd[lc+740])..","..
--  string.format("%5.3f",stcd[lc+840]<0.5 and "none" or stcd[lc+820]/stcd[lc+840])..","..
--  string.format("%5.3f",stcd[lc+940]<0.5 and "none" or stcd[lc+920]/stcd[lc+940])..","..
--  string.format("%5.3f",stcd[lc+40]<0.5 and "none" or stcd[lc+20]/stcd[lc+40])..","..
--  string.format("%5.3f",stcd[lc+140]<0.5 and "none" or stcd[lc+120]/stcd[lc+140])
--  ..","..string.format("%5.3f",stcd[lc+240]<0.5 and "none" or stcd[lc+220]/stcd[lc+240]))
-- end
return 0
end

local lfi=0
local tdr=pldc()
lfi=dialog.Show(tdr)
if lfi>0.5 then
 lfi=run(plss(),tdr.sd.value,tdr.st.value,tdr.sm.value,
  tdr.sr.value,lfi>1.5 and tdr.si.value or -1,tdr.ck.value)
-- lfi=runs(tdr.sd.value,tdr.st.value)
 if lfi>0.5 then
  print("terminated by exception error")
 end
end

Comments

[Nicm25]

*note: this is demo script.

previous recipe is here
https://fold.it/portal/recipe/105164

This recipe just repeats the random mutation and quick relax to find out the base energy required for folding,
and recipe has been adjusted to run in the 'Protein Design Sandbox'.

this recipe is using one quick save slot.
and recipe will try to see whether it can relax from its current form.
and can start with bands active as constraints, even with proteins that tend to fall apart.

7 arguments
select: currently selected segment will be this argument.(they are dummies for some reason)
repetition: set number circulation for each segment. leave it at 1 if need to average them all.
range: 1-20, default: 1, function: 1 is all average, 10 is each ten segments unit
trimmings: to avoid edge effects, you can adjust number of segments to be excluded from scoring.
range: 0-20, default: 0, function: 0 is do nothing, 10 is ten segment trimming
setmode: can change restrictions on type of AA's used for mutation.
range: 1-4, default: 2, function: 1 is all including, 2 is few including Pro, 3 is not including Pro, 4 is not including Gly and Pro
seed: choose any value you like to generate random AA's by random seed.
range: 0.0-1.0, default: 0.5, function: 1.0 is plus value, 0.0 is none value
setcount: run 20 times as one set, only 0 is check mode for scoring only.
range: 0-50 (ext0-1000), default: 1, function: 1 is one set 20 counts, 0 is check mode
fixrandom: set whether to fixed random seed.
default: false, function: false is always random seed, true is fixed random seed

[Nicm25]

Hi, this is an explanation of how this recipe was created….

I was trying to investigate in this recipe was true(valid) energy required for folding…
that? is that phrase you've heard somewhere before?
oops, deja vu, that was continuation here.
https://fold.it/portal/recipe/105164#comment-45132

remember that foldit uses Rosetta for fast computation in scoring.
and it may contain artifacts hence aggregated from false selectivity of lowest energy, approximate energy topography, and by not assuming thermal behavior.
we will need to think carefully when using these calculated scores in our research.

that are showing foldability of proteins as it behaves in Rosetta energy function.
of course, since we are tallying this under conditions where it is exposed to surface,
can imagine an offset 30-40 points for hydrophobic sidechains when they are on inside.

these scores (foldit base) are averaged out from about 3000 samples per sidechain,
and surrounding sidechains affect them by about 10 points.

previously, single strand was used as sheet (by foldit interface), but that is replaced by loop.
so, in Loop score is sidechains on strand are energy in fully exposed situation.

Helix score is energy that is exposed in one long helix.

Sheet score is energy of strand that is always hydrogen bonded to its neighboring strand,
except that it can't bond to proline.

*attached data
the results of loop, helix and sheet data for each sidechains.

results tabulated using this recipe are as follows.

AAIndex,loopscore,helixscore,sheetscore
A,-61.761,16.342,28.114
C,-109.153,-56.813,8.950
D,3.905,32.157,30.259
E,11.620,35.458,42.566
F,-21.687,-17.125,13.920
G,-49.748,13.591,18.561
H,-1.092,20.087,31.314
I,-53.344,-21.318,15.527
K,7.127,32.842,35.691
L,-65.907,-17.588,26.653
M,-53.065,-20.294,8.310
N,-1.932,28.864,28.470
P,27.441,-25.781,30.732
Q,6.356,28.620,36.703
R,-2.102,24.531,31.216
S,-17.461,27.712,35.788
T,-38.472,25.938,34.632
V,-77.314,-19.323,31.810
W,-50.479,-28.431,17.374
Y,-3.950,-5.916,36.762
*sigma=0.4

[Nicm25]

we ran it for each of loop scores included in the blueprint.
each was named and tabulated based on ABEGO patterns.
however, due to few samples per segment (about 200), results may not have been accurate.

*attached data
the results of loops by Blueprint each sidechains.

results tabulated using this recipe are as follows.

BBGB:
AAIndex,samples,L1,L2,L3,L4
A,856,10.612,-29.592,-26.386,8.692
C,823,-29.825,-112.129,-112.626,-15.644
D,840,31.411,0.293,9.624,1.771
E,839,28.087,1.481,2.304,24.243
F,855,-4.756,-42.515,-33.152,-13.111
G,857,21.200,-27.523,10.549,13.463
H,795,21.220,-13.666,-0.759,19.113
I,867,-23.757,-70.228,-133.285,-18.473
K,808,25.267,-1.311,-0.412,17.730
L,848,-8.304,-69.659,-69.581,-6.994
M,821,-13.139,-66.359,-62.680,-19.605
N,840,20.312,-7.985,13.054,7.774
P,95,23.886,11.314,-23.998,-26.144
Q,891,21.891,-7.972,-4.070,20.708
R,850,19.646,-15.490,-7.600,14.341
S,818,28.263,-7.310,-1.928,19.987
T,793,31.843,-26.416,-25.122,12.317
V,861,-2.513,-73.347,-127.012,-9.042
W,834,-11.478,-65.852,-66.010,-16.633
Y,809,21.899,-24.980,-22.361,5.342
BGGB:
AAIndex,samples,L1,L2,L3,L4
A,856,4.830,-34.948,-37.691,5.367
C,823,-41.353,-119.516,-119.505,-22.211
D,840,19.230,8.022,-1.516,19.971
E,839,23.394,-2.193,-12.980,27.670
F,855,-14.987,-49.926,-47.496,-18.061
G,857,9.076,-3.875,4.849,6.164
H,795,14.700,-6.762,-15.925,15.644
I,867,-28.236,-142.417,-152.246,-18.820
K,808,18.839,-3.198,-9.861,20.477
L,848,-15.616,-79.594,-78.698,-7.288
M,821,-27.039,-68.814,-73.845,-19.528
N,840,12.494,7.598,-0.653,22.484
P,95,24.243,-2.046,-42.573,-27.801
Q,891,17.318,-6.745,-16.749,22.075
R,850,12.863,-16.062,-21.525,16.083
S,818,21.000,-7.278,-12.792,18.693
T,793,10.492,-52.929,-36.712,25.435
V,861,-15.694,-138.952,-141.766,-3.086
W,834,-28.020,-75.758,-81.737,-26.785
Y,809,7.234,-36.145,-37.083,-7.447
BEAB:
AAIndex,samples,L1,L2,L3,L4
A,856,9.351,-30.722,-40.179,13.532
C,823,-37.227,-153.343,-112.074,-13.094
D,840,35.991,3.303,-13.081,28.786
E,839,31.204,-31.219,-16.053,36.462
F,855,-7.612,-95.123,-50.988,-1.621
G,857,6.872,5.717,-35.435,12.433
H,795,25.522,-55.496,-20.509,24.029
I,867,-16.328,-136.948,-87.545,-9.725
K,808,26.950,-4.123,-22.105,33.344
L,848,-8.442,-117.205,-76.341,6.291
M,821,-24.435,-107.474,-74.620,-6.415
N,840,31.739,-0.941,-14.867,26.743
P,95,23.229,-4.542,-58.214,-31.858
Q,891,23.766,-15.777,-20.294,31.872
R,850,19.219,-57.387,-26.214,25.912
S,818,31.363,-3.948,-16.727,26.519
T,793,19.508,-48.892,-22.303,31.949
V,861,0.823,-114.833,-69.418,9.755
W,834,-26.298,-110.718,-79.049,-9.971
Y,809,10.726,-83.744,-35.825,19.759
BAGABB:
AAIndex,samples,L1,L2,L3,L4,L5,L6
A,1285,12.886,-2.513,-40.052,-43.709,17.252,28.045
C,1246,-16.722,-38.685,-97.741,-108.623,-11.368,6.463
D,1238,51.234,24.573,-4.663,-18.293,14.554,32.455
E,1253,34.073,21.574,-11.606,-13.592,28.959,43.969
F,1274,4.360,-0.979,-52.317,-55.292,-13.222,11.687
G,1276,1.468,-0.942,0.810,-37.595,24.563,16.995
H,1231,27.450,23.551,-6.607,-25.604,17.846,30.598
I,1300,5.619,-55.732,-118.703,-88.079,-16.735,12.587
K,1233,27.039,19.854,-2.586,-15.597,24.180,38.267
L,1217,18.873,-0.382,-55.048,-80.374,-10.708,28.169
M,1251,-8.611,-25.104,-70.556,-83.119,-14.845,5.989
N,1272,40.018,24.523,-3.051,-16.013,14.821,29.164
P,140,17.590,15.947,-26.256,-51.241,-21.229,27.761
Q,1297,25.004,17.174,-16.232,-22.275,23.901,37.544
R,1268,19.535,12.765,-18.130,-23.857,19.171,32.147
S,1249,30.766,21.218,-16.524,-18.566,29.397,35.120
T,1224,28.960,22.602,-27.461,-27.038,19.312,37.535
V,1265,28.555,-20.574,-120.841,-76.570,-1.540,34.240
W,1235,4.449,-8.028,-57.417,-76.329,-19.784,9.839
Y,1246,28.471,21.268,-31.547,-37.789,7.709,30.049
BBAAEB:
AAIndex,samples,L1,L2,L3,L4,L5,L6
A,1285,15.218,-8.736,-31.518,-22.486,14.594,24.346
C,1246,-20.616,-50.178,-117.062,-89.175,-9.041,-3.435
D,1238,31.955,21.745,1.831,13.548,18.165,28.258
E,1253,36.572,11.942,0.792,7.232,24.216,40.030
F,1274,-0.155,-17.612,-50.763,-32.952,-5.606,2.244
G,1276,8.306,6.221,-20.576,-19.142,27.058,14.748
H,1231,29.242,3.889,-12.245,-3.523,18.141,26.115
I,1300,2.668,-37.675,-81.749,-66.174,-19.233,10.902
K,1233,31.334,8.498,-2.181,2.779,19.334,34.844
L,1217,14.410,-27.110,-67.692,-62.837,-6.374,22.410
M,1251,-6.828,-32.877,-63.187,-58.159,-14.662,3.025
N,1272,28.874,14.302,-4.637,3.357,16.443,26.876
P,140,21.380,14.888,3.856,-38.386,-19.201,28.122
Q,1297,34.837,3.747,-12.404,-1.242,19.871,34.509
R,1268,24.797,1.010,-14.699,-7.703,13.622,27.969
S,1249,32.298,22.732,-1.393,1.727,27.783,31.547
T,1224,29.200,21.597,-28.887,-5.606,10.635,33.353
V,1265,26.401,-20.963,-84.691,-57.221,-3.320,29.967
W,1235,-1.247,-25.011,-62.508,-58.397,-14.156,5.119
Y,1246,22.579,5.275,-31.122,-14.022,16.046,22.574
BAAAGB:
AAIndex,samples,L1,L2,L3,L4,L5,L6
A,1285,23.285,-3.586,-8.198,-8.575,1.565,23.882
C,1246,-2.794,-49.282,-80.179,-42.505,-65.383,0.486
D,1238,61.190,11.320,8.604,15.363,25.676,23.167
E,1253,42.754,12.103,8.749,16.698,22.323,36.258
F,1274,24.038,-27.940,-45.553,-24.766,-36.248,0.203
G,1276,3.654,-5.932,-9.418,-9.779,27.907,16.237
H,1231,38.396,1.560,-4.697,14.302,17.940,20.642
I,1300,23.331,-41.759,-56.725,-35.054,-110.249,2.492
K,1233,35.075,8.710,8.748,13.591,21.969,30.297
L,1217,25.364,-9.167,-43.615,-28.493,-34.926,17.559
M,1251,0.187,-34.665,-49.610,-39.795,-35.772,0.849
N,1272,49.223,7.667,6.076,14.229,30.850,22.509
P,140,27.974,18.577,-34.115,-32.377,23.280,-4.894
Q,1297,36.576,5.822,5.353,7.899,28.231,29.436
R,1268,30.499,0.773,3.391,6.129,14.100,29.428
S,1249,38.779,8.365,5.415,10.953,18.378,29.785
T,1224,35.406,3.353,-4.911,10.793,-12.067,28.013
V,1265,37.960,-28.379,-57.668,-26.009,-86.579,24.535
W,1235,16.715,-36.120,-60.735,-52.309,-53.233,4.925
Y,1246,41.000,-9.901,-28.512,-8.710,-17.566,21.549

[Nicm25]

we ran it for each of loop scores included in the blueprint.
each was named and tabulated based on ABEGO patterns.
however, due to few samples per segment (about 200), results may not have been accurate.

*attached data
the results of helices by Blueprint each sidechains.

results tabulated using this recipe are as follows.

ABA:
AAIndex,samples,L1,L2,L3,L4,L5,L6
A,1282,-8.287,12.292,33.673,4.649,32.954,21.073
C,1260,-83.734,-36.425,3.131,-58.649,4.989,-8.657
D,1260,14.944,33.003,18.327,15.825,39.283,7.247
E,1276,12.851,27.711,28.457,23.755,37.648,12.026
F,1208,-40.371,-2.625,10.943,-26.776,3.015,-0.098
G,1280,-5.014,2.422,14.240,1.362,15.596,4.856
H,1321,-1.621,15.696,22.145,11.075,26.034,11.761
I,1279,-67.780,-7.451,11.075,-32.699,17.788,4.464
K,1258,6.943,23.507,22.603,21.069,32.598,8.139
L,1238,-50.442,5.784,20.265,-21.228,36.582,13.584
M,1213,-47.771,-17.349,7.292,-34.860,15.577,6.480
N,1259,7.279,21.901,15.453,17.409,34.367,6.601
P,125,-18.129,-21.010,-19.449,-26.424,-14.912,-27.213
Q,1293,-0.286,20.512,22.686,18.399,32.887,17.302
R,1280,-5.388,18.479,17.268,13.898,30.951,14.812
S,1206,11.434,18.762,20.542,16.071,30.800,19.906
T,1226,-5.994,19.008,24.929,15.168,30.118,11.862
V,1242,-58.079,2.355,30.983,-11.076,21.233,14.001
W,1242,-38.007,-15.063,8.042,-40.367,8.033,-1.035
Y,1252,-19.428,8.925,28.676,-10.240,21.363,9.083
ABABA:
AAIndex,samples,L1,L2,L3,L4,L5,L6
A,1282,-2.749,-1.260,22.545,28.903,11.955,0.163
C,1260,-81.126,-82.395,-20.731,6.829,-15.597,-63.781
D,1260,20.174,22.309,38.371,27.076,13.832,15.731
E,1276,21.492,24.274,32.194,29.393,11.528,17.282
F,1208,-30.559,-28.123,-3.062,24.920,-2.148,-21.481
G,1280,-1.255,0.335,6.589,12.765,-1.045,-5.447
H,1321,2.253,5.716,22.047,23.467,10.464,3.263
I,1279,-32.565,-48.599,4.357,30.217,4.935,-38.335
K,1258,13.750,16.663,22.901,29.683,6.329,16.322
L,1238,-31.750,-44.289,8.298,40.687,16.456,-23.671
M,1213,-21.024,-37.639,-1.402,24.406,6.347,-32.734
N,1259,11.797,15.162,28.526,31.000,12.320,12.718
P,125,28.285,-15.831,-17.057,-18.284,-33.470,-37.037
Q,1293,10.581,13.878,28.336,37.558,10.746,12.941
R,1280,2.880,6.497,20.727,33.767,9.598,8.382
S,1206,16.678,11.338,22.847,25.949,11.913,10.602
T,1226,2.150,3.362,23.665,29.833,10.262,6.142
V,1242,-41.607,-40.353,8.798,31.751,0.884,-32.660
W,1242,-35.195,-34.323,-3.250,20.428,6.980,-40.388
Y,1252,-16.201,-12.306,10.705,34.356,14.534,-7.883