From dea8da6cffb6dd45f14c61c350e4b8848a18056b Mon Sep 17 00:00:00 2001 From: gurdeep330 <[gurdeep330@gmail.com]> Date: Fri, 18 Mar 2022 12:10:31 +0100 Subject: [PATCH] close #63, close #71, close #36 --- data/contacts/GNA15_ebret.txt | 220 +++++++++++++++++ data/contacts/GNA15_ebret_positions.txt | 220 +++++++++++++++++ data/contacts/GNA15_shed.txt | 231 ++++++++++++++++++ data/contacts/GNA15_shed_positions.txt | 231 ++++++++++++++++++ data/contacts/gprotein_best_layer.txt | 36 +-- .../__pycache__/precogx.cpython-38.pyc | Bin 13404 -> 13405 bytes ...oblib => GNA15_0.95_22_ebret_esm1b.joblib} | Bin 897 -> 893 bytes static/predictor/precogx.py | 2 +- 8 files changed, 921 insertions(+), 19 deletions(-) create mode 100644 data/contacts/GNA15_ebret.txt create mode 100644 data/contacts/GNA15_ebret_positions.txt create mode 100644 data/contacts/GNA15_shed.txt create mode 100644 data/contacts/GNA15_shed_positions.txt rename static/predictor/best_all/{GNA15_0.95_29_shed_esm1b.joblib => GNA15_0.95_22_ebret_esm1b.joblib} (57%) diff --git a/data/contacts/GNA15_ebret.txt b/data/contacts/GNA15_ebret.txt new file mode 100644 index 000000000..cbb8188fb --- /dev/null +++ b/data/contacts/GNA15_ebret.txt @@ -0,0 +1,220 @@ +GNA15 6.26 6.27 0.706387486 1 +GNA15 6.25 6.26 0.308790685 1 +GNA15 6.48 6.51 0.205867408 3 +GNA15 3.52 3.56 0.637433823 4 +GNA15 6.51 6.55 -0.177598737 4 +GNA15 3.43 3.49 0.139914632 6 +GNA15 3.46 3.53 0.156383337 7 +GNA15 3.42 3.5 0.637433823 8 +GNA15 3.25 3.46 -0.260224015 21 +GNA15 Nterm Nterm 0.371126952 - +GNA15 Nterm 1.32 0.051590428 - +GNA15 1.36 2.64 0.223747947 - +GNA15 1.36 2.65 0.127689741 - +GNA15 1.39 2.6 0.511425514 - +GNA15 1.4 2.61 -0.349756256 - +GNA15 1.42 2.54 0.252419018 - +GNA15 1.43 2.54 0.242389585 - +GNA15 1.45 2.54 0.633768426 - +GNA15 1.46 2.5 0.582177999 - +GNA15 1.46 2.54 0.637433823 - +GNA15 1.47 2.51 0.127689741 - +GNA15 1.47 2.54 0.127689741 - +GNA15 1.47 2.55 0.473453149 - +GNA15 1.49 2.54 0.50347419 - +GNA15 1.5 2.47 0.06009579 - +GNA15 1.5 2.54 0.495949841 - +GNA15 1.51 2.54 0.197069159 - +GNA15 1.53 2.47 -0.257457836 - +GNA15 1.53 2.54 0.500007483 - +GNA15 1.54 2.44 0.4358284 - +GNA15 1.54 2.48 0.139914632 - +GNA15 1.54 2.54 0.527354993 - +GNA15 1.55 8.57 0.410020479 - +GNA15 1.56 8.54 0.053803734 - +GNA15 1.56 8.57 0.173591276 - +GNA15 1.57 ICL1.5 0.094522886 - +GNA15 1.57 2.4 -0.123154798 - +GNA15 1.57 2.44 0.830962038 - +GNA15 1.58 2.44 0.69907428 - +GNA15 1.59 8.57 0.013618062 - +GNA15 1.6 8.53 0.53398163 - +GNA15 ICL1.49 2.4 -0.177598737 - +GNA15 ICL1.5 2.4 0.053803734 - +GNA15 2.38 4.42 -0.019470422 - +GNA15 2.39 3.49 -0.214716444 - +GNA15 2.42 3.46 0.229652424 - +GNA15 2.42 4.42 -0.093042409 - +GNA15 2.45 3.42 0.349756256 - +GNA15 2.45 4.5 -0.326869807 - +GNA15 2.49 3.38 0.023682112 - +GNA15 2.5 7.46 0.028268671 - +GNA15 2.52 3.35 -0.067519906 - +GNA15 2.53 7.46 0.067519906 - +GNA15 2.6 3.29 -0.136134196 - +GNA15 2.63 3.29 -0.323543985 - +GNA15 3.25 ECL2.5 0.268702645 - +GNA15 3.34 4.54 -0.139084276 - +GNA15 3.38 4.5 -0.017880539 - +GNA15 3.38 4.53 0.04614921 - +GNA15 3.41 4.53 -0.113669116 - +GNA15 3.41 4.56 0.139914632 - +GNA15 3.42 4.46 -0.159718198 - +GNA15 3.42 4.5 -0.112807889 - +GNA15 3.45 4.49 0.173151872 - +GNA15 3.47 5.58 0.139914632 - +GNA15 3.49 ICL2.53 0.550938995 - +GNA15 3.51 5.6 0.089702488 - +GNA15 3.52 ICL2.56 0.298443775 - +GNA15 3.53 ICL2.53 0.205867408 - +GNA15 3.55 5.6 -0.086757074 - +GNA15 3.55 5.64 -0.089702488 - +GNA15 ICL2.57 4.42 -0.167755348 - +GNA15 4.63 ECL2 0.232421743 - +GNA15 ECL2 ECL2 0.230269343 - +GNA15 5.461 6.52 0.300374467 - +GNA15 5.51 6.45 0.070572269 - +GNA15 5.54 6.41 -0.068616308 - +GNA15 5.62 6.34 0.091113 - +GNA15 5.62 6.38 0.132799335 - +GNA15 5.65 6.31 -0.18868825 - +GNA15 5.65 6.34 -0.257457836 - +GNA15 5.66 6.31 0.245118643 - +GNA15 5.69 6.27 0.232421743 - +GNA15 ICL3 6.26 0.471018989 - +GNA15 6.36 7.56 0.068616308 - +GNA15 6.4 7.52 0.159718198 - +GNA15 6.43 7.48 0.156383337 - +GNA15 6.43 7.52 0.201280849 - +GNA15 6.48 7.41 0.886187444 - +GNA15 6.51 7.34 0.266865917 - +GNA15 6.51 7.41 0.324977742 - +GNA15 6.52 7.41 0.028268671 - +GNA15 6.54 7.33 0.042483813 - +GNA15 6.54 7.34 0.553512757 - +GNA15 6.54 7.37 0.253967679 - +GNA15 6.55 7.34 0.338053709 - +GNA15 6.55 7.38 0.623909211 - +GNA15 6.55 7.41 0.169706408 - +GNA15 6.57 ECL3 0.252419018 - +GNA15 6.57 7.33 0.242389585 - +GNA15 6.58 ECL3 0.030219732 - +GNA15 6.58 7.3 0.248500995 - +GNA15 6.61 ECL3 0.269752336 - +GNA15 6.61 7.3 0.28105093 - +GNA15 ECL3 ECL3 0.643056652 - +GNA15 ECL3 7.3 0.801523774 - +GNA15 ECL3 7.33 0.271672978 - +GNA15 1.51 2.51 0.07196677 - +GNA15 1.57 2.47 0.377744348 - +GNA15 1.6 8.56 0.197069159 - +GNA15 2.56 3.32 0.232421743 - +GNA15 2.56 3.35 0.308790685 - +GNA15 3.45 4.45 0.066783131 - +GNA15 3.52 ICL2.55 -0.388649784 - +GNA15 6.4 7.53 0.672710842 - +GNA15 6.47 7.41 0.451599084 - +GNA15 6.51 7.38 0.173591276 - +GNA15 2.5 3.39 0.053803734 - +GNA15 2.62 ECL1.52 -0.453821092 - +GNA15 3.3 4.61 -0.253967679 - +GNA15 3.33 4.57 -0.098701246 - +GNA15 3.48 5.57 0.013618062 - +GNA15 6.32 8.48 -0.043209519 - +GNA15 6.39 7.56 0.473453149 - +GNA15 1.56 8.5 -0.173151872 - +GNA15 2.49 3.39 0.049320928 - +GNA15 3.37 4.53 0.067519906 - +GNA15 3.49 4.42 -0.009537194 - +GNA15 3.52 ICL2.52 0.377744348 - +GNA15 5.55 6.45 -0.049639367 - +GNA15 5.61 6.34 0.471018989 - +GNA15 5.62 6.35 -0.388649784 - +GNA15 6.58 7.34 -0.298443775 - +GNA15 1.35 2.65 0.173591276 - +GNA15 2.6 3.32 0.013618062 - +GNA15 2.66 3.21 0.828650622 - +GNA15 ECL2 ECL2.51 0.051590428 - +GNA15 6.61 7.33 0.266865917 - +GNA15 Cterm Cterm -0.173151872 - +GNA15 1.54 2.47 0.019470422 - +GNA15 2.6 3.28 -0.252016618 - +GNA15 2.65 ECL1.51 0.067519906 - +GNA15 2.66 ECL1.52 0.139914632 - +GNA15 3.44 4.49 0.104637613 - +GNA15 ECL2 5.36 0.248500995 - +GNA15 8.59 Cterm 0.275338375 - +GNA15 2.66 ECL1.51 0.049320928 - +GNA15 4.6 5.39 -0.201280849 - +GNA15 ECL2 5.37 0.104637613 - +GNA15 6.35 7.56 0.141577432 - +GNA15 6.48 7.42 0.236911246 - +GNA15 3.49 ICL2.57 -0.164120369 - +GNA15 5.37 6.6 0.404092852 - +GNA15 5.4 6.59 0.471018989 - +GNA15 ICL3 ICL3 0.600316116 - +GNA15 2.46 3.46 0.067519906 - +GNA15 5.43 6.55 1 - +GNA15 6.48 7.38 0.104637613 - +GNA15 6.48 7.46 1 - +GNA15 1.39 2.61 0.026554335 - +GNA15 1.4 2.65 -0.452732862 - +GNA15 1.42 2.53 -0.014362348 - +GNA15 1.57 2.39 -0.067519906 - +GNA15 1.57 2.41 0.019314296 - +GNA15 1.57 2.42 0.271672978 - +GNA15 1.57 2.43 0.156383337 - +GNA15 ICL1.48 2.4 0.236911246 - +GNA15 2.42 3.49 0.013618062 - +GNA15 2.59 3.24 -0.220964382 - +GNA15 2.59 3.28 -0.242389585 - +GNA15 2.62 ECL1.51 0.266865917 - +GNA15 3.3 4.62 0.173591276 - +GNA15 3.33 4.61 0.141577432 - +GNA15 3.37 4.57 -0.042483813 - +GNA15 3.41 4.52 -0.067519906 - +GNA15 3.42 4.49 -0.443093722 - +GNA15 3.49 4.39 0.019314296 - +GNA15 3.49 4.41 -0.049639367 - +GNA15 3.52 ICL2.57 -0.142321718 - +GNA15 ICL2.56 4.41 0.738663618 - +GNA15 4.57 5.461 -0.142321718 - +GNA15 4.61 5.39 0.658804519 - +GNA15 ECL2 5.35 -0.108645074 - +GNA15 5.36 6.59 0.139914632 - +GNA15 5.47 6.49 0.147379005 - +GNA15 5.61 6.33 0.173591276 - +GNA15 5.61 6.37 0.06009579 - +GNA15 5.65 6.3 0.067519906 - +GNA15 5.65 6.33 -0.090261534 - +GNA15 5.65 6.37 -0.327035752 - +GNA15 5.66 6.34 0.50347419 - +GNA15 ICL3 6.29 -0.167755348 - +GNA15 ICL3 6.3 0.019314296 - +GNA15 6.36 8.48 -0.253967679 - +GNA15 6.54 7.3 0.035059697 - +GNA15 6.57 7.3 0.245118643 - +GNA15 6.58 7.27 -0.076368942 - +GNA15 6.61 7.26 -0.177598737 - +GNA15 6.61 7.27 0.009537194 - +GNA15 1.6 2.4 0.197018372 - +GNA15 2.41 4.42 -0.126008309 - +GNA15 2.43 3.46 0.308790685 - +GNA15 ECL1.5 3.21 0.173591276 - +GNA15 5.66 6.3 -0.049639367 - +GNA15 ECL3 7.29 0.232421743 - +GNA15 1.54 2.51 0.236911246 - +GNA15 2.53 3.35 0.323983388 - +GNA15 3.45 4.46 -0.086757074 - +GNA15 3.49 4.45 -0.242389585 - +GNA15 5.62 6.37 0.104637613 - +GNA15 8.55 Cterm 0.028268671 - +GNA15 5.66 6.35 -0.127689741 - +GNA15 2.56 3.28 -0.340413554 - +GNA15 ECL1.52 3.24 -0.357220629 - +GNA15 2.49 3.35 -0.167755348 - +GNA15 1.35 2.64 -0.127689741 - +GNA15 2.551 3.35 0.308790685 - +GNA15 2.63 ECL1.5 -0.086757074 - +GNA15 ECL2 5.39 0.271672978 - +GNA15 3.49 4.46 -0.108645074 - diff --git a/data/contacts/GNA15_ebret_positions.txt b/data/contacts/GNA15_ebret_positions.txt new file mode 100644 index 000000000..0ac843cc8 --- /dev/null +++ b/data/contacts/GNA15_ebret_positions.txt @@ -0,0 +1,220 @@ +6.26 6.27 +6.25 6.26 +6.48 6.51 +3.52 3.56 +6.51 6.55 +3.43 3.49 +3.46 3.53 +3.42 3.5 +3.25 3.46 +Nterm Nterm +Nterm 1.32 +1.36 2.64 +1.36 2.65 +1.39 2.6 +1.4 2.61 +1.42 2.54 +1.43 2.54 +1.45 2.54 +1.46 2.5 +1.46 2.54 +1.47 2.51 +1.47 2.54 +1.47 2.55 +1.49 2.54 +1.5 2.47 +1.5 2.54 +1.51 2.54 +1.53 2.47 +1.53 2.54 +1.54 2.44 +1.54 2.48 +1.54 2.54 +1.55 8.57 +1.56 8.54 +1.56 8.57 +1.57 ICL1.5 +1.57 2.4 +1.57 2.44 +1.58 2.44 +1.59 8.57 +1.6 8.53 +ICL1.49 2.4 +ICL1.5 2.4 +2.38 4.42 +2.39 3.49 +2.42 3.46 +2.42 4.42 +2.45 3.42 +2.45 4.5 +2.49 3.38 +2.5 7.46 +2.52 3.35 +2.53 7.46 +2.6 3.29 +2.63 3.29 +3.25 ECL2.5 +3.34 4.54 +3.38 4.5 +3.38 4.53 +3.41 4.53 +3.41 4.56 +3.42 4.46 +3.42 4.5 +3.45 4.49 +3.47 5.58 +3.49 ICL2.53 +3.51 5.6 +3.52 ICL2.56 +3.53 ICL2.53 +3.55 5.6 +3.55 5.64 +ICL2.57 4.42 +4.63 ECL2 +ECL2 ECL2 +5.461 6.52 +5.51 6.45 +5.54 6.41 +5.62 6.34 +5.62 6.38 +5.65 6.31 +5.65 6.34 +5.66 6.31 +5.69 6.27 +ICL3 6.26 +6.36 7.56 +6.4 7.52 +6.43 7.48 +6.43 7.52 +6.48 7.41 +6.51 7.34 +6.51 7.41 +6.52 7.41 +6.54 7.33 +6.54 7.34 +6.54 7.37 +6.55 7.34 +6.55 7.38 +6.55 7.41 +6.57 ECL3 +6.57 7.33 +6.58 ECL3 +6.58 7.3 +6.61 ECL3 +6.61 7.3 +ECL3 ECL3 +ECL3 7.3 +ECL3 7.33 +1.51 2.51 +1.57 2.47 +1.6 8.56 +2.56 3.32 +2.56 3.35 +3.45 4.45 +3.52 ICL2.55 +6.4 7.53 +6.47 7.41 +6.51 7.38 +2.5 3.39 +2.62 ECL1.52 +3.3 4.61 +3.33 4.57 +3.48 5.57 +6.32 8.48 +6.39 7.56 +1.56 8.5 +2.49 3.39 +3.37 4.53 +3.49 4.42 +3.52 ICL2.52 +5.55 6.45 +5.61 6.34 +5.62 6.35 +6.58 7.34 +1.35 2.65 +2.6 3.32 +2.66 3.21 +ECL2 ECL2.51 +6.61 7.33 +Cterm Cterm +1.54 2.47 +2.6 3.28 +2.65 ECL1.51 +2.66 ECL1.52 +3.44 4.49 +ECL2 5.36 +8.59 Cterm +2.66 ECL1.51 +4.6 5.39 +ECL2 5.37 +6.35 7.56 +6.48 7.42 +3.49 ICL2.57 +5.37 6.6 +5.4 6.59 +ICL3 ICL3 +2.46 3.46 +5.43 6.55 +6.48 7.38 +6.48 7.46 +1.39 2.61 +1.4 2.65 +1.42 2.53 +1.57 2.39 +1.57 2.41 +1.57 2.42 +1.57 2.43 +ICL1.48 2.4 +2.42 3.49 +2.59 3.24 +2.59 3.28 +2.62 ECL1.51 +3.3 4.62 +3.33 4.61 +3.37 4.57 +3.41 4.52 +3.42 4.49 +3.49 4.39 +3.49 4.41 +3.52 ICL2.57 +ICL2.56 4.41 +4.57 5.461 +4.61 5.39 +ECL2 5.35 +5.36 6.59 +5.47 6.49 +5.61 6.33 +5.61 6.37 +5.65 6.3 +5.65 6.33 +5.65 6.37 +5.66 6.34 +ICL3 6.29 +ICL3 6.3 +6.36 8.48 +6.54 7.3 +6.57 7.3 +6.58 7.27 +6.61 7.26 +6.61 7.27 +1.6 2.4 +2.41 4.42 +2.43 3.46 +ECL1.5 3.21 +5.66 6.3 +ECL3 7.29 +1.54 2.51 +2.53 3.35 +3.45 4.46 +3.49 4.45 +5.62 6.37 +8.55 Cterm +5.66 6.35 +2.56 3.28 +ECL1.52 3.24 +2.49 3.35 +1.35 2.64 +2.551 3.35 +2.63 ECL1.5 +ECL2 5.39 +3.49 4.46 diff --git a/data/contacts/GNA15_shed.txt b/data/contacts/GNA15_shed.txt new file mode 100644 index 000000000..978dba9a0 --- /dev/null +++ b/data/contacts/GNA15_shed.txt @@ -0,0 +1,231 @@ +GNA15 6.26 6.27 -0.4276047 1 +GNA15 6.48 6.51 0.29361511 3 +GNA15 3.52 3.56 0.466220643 4 +GNA15 6.51 6.55 0.062032207 4 +GNA15 3.43 3.49 -0.039549379 6 +GNA15 3.46 3.53 -0.205501162 7 +GNA15 3.42 3.5 0.426641813 8 +GNA15 3.25 3.46 0.072538887 21 +GNA15 Nterm Nterm 0.554957038 - +GNA15 1.36 2.61 0.889376799 - +GNA15 1.36 2.65 0.145027376 - +GNA15 1.39 2.61 0.425307148 - +GNA15 1.4 2.61 0.413246063 - +GNA15 1.4 2.65 0.193615064 - +GNA15 1.42 2.53 0.255426594 - +GNA15 1.46 2.54 -0.175829639 - +GNA15 1.47 2.51 0.444740827 - +GNA15 1.47 2.54 0.437441706 - +GNA15 1.53 2.47 0.388438597 - +GNA15 1.54 2.44 0.981852452 - +GNA15 1.54 2.47 0.204184195 - +GNA15 1.56 8.5 0.470617768 - +GNA15 1.57 2.39 -0.181527253 - +GNA15 1.57 2.4 0.114796343 - +GNA15 1.57 2.41 -0.161224043 - +GNA15 1.57 2.42 -0.109146736 - +GNA15 1.57 2.43 0.338888506 - +GNA15 1.57 2.44 -0.578550941 - +GNA15 1.58 2.44 0.232428263 - +GNA15 1.6 8.53 -0.253661751 - +GNA15 ICL1.48 2.4 0.119545908 - +GNA15 ICL1.5 2.4 -0.226942684 - +GNA15 2.38 4.42 0.351887033 - +GNA15 2.39 3.49 0.088365125 - +GNA15 2.42 3.46 0.291058451 - +GNA15 2.42 3.49 0.691941208 - +GNA15 2.45 3.42 -0.202162304 - +GNA15 2.49 3.39 0.590080667 - +GNA15 2.49 3.42 0.21363187 - +GNA15 2.59 3.24 0.666466807 - +GNA15 2.59 3.28 0.763442749 - +GNA15 2.6 3.28 0.351887033 - +GNA15 2.6 3.29 0.301193577 - +GNA15 2.6 3.32 0.151731997 - +GNA15 2.62 ECL1.51 0.922591986 - +GNA15 2.63 3.29 0.395820227 - +GNA15 2.66 ECL1.51 0.272160465 - +GNA15 3.3 4.62 0.185026177 - +GNA15 3.33 4.61 0.219615065 - +GNA15 3.34 4.54 0.335306534 - +GNA15 3.37 4.57 0.272160465 - +GNA15 3.38 4.5 0.201723629 - +GNA15 3.38 4.53 0.147348183 - +GNA15 3.41 4.52 0.413246063 - +GNA15 3.41 4.53 0.482731786 - +GNA15 3.41 4.56 0.399489733 - +GNA15 3.42 4.46 0.461317431 - +GNA15 3.42 4.49 0.770486608 - +GNA15 3.42 4.5 0.377905062 - +GNA15 3.44 4.49 -0.341126265 - +GNA15 3.45 4.45 0.093798707 - +GNA15 3.45 4.49 0.629767004 - +GNA15 3.48 5.57 -0.182082712 - +GNA15 3.49 ICL2.57 0.212026159 - +GNA15 3.49 4.39 0.549070738 - +GNA15 3.49 4.41 0.582364918 - +GNA15 3.49 4.42 0.722018507 - +GNA15 3.51 5.6 0.204174592 - +GNA15 3.52 ICL2.52 0.295795136 - +GNA15 3.52 ICL2.56 0.226094071 - +GNA15 3.52 ICL2.57 0.330339958 - +GNA15 3.55 5.64 0.52967982 - +GNA15 ICL2.56 4.41 0.128763118 - +GNA15 4.57 5.461 -0.136242572 - +GNA15 4.61 5.39 0.212026159 - +GNA15 ECL2 ECL2 0.306474165 - +GNA15 ECL2 ECL2.51 -0.107161518 - +GNA15 ECL2 5.35 0.176233483 - +GNA15 ECL2 5.36 0.144063139 - +GNA15 5.36 6.59 -0.212841333 - +GNA15 5.37 6.6 -0.381901762 - +GNA15 5.43 6.55 -0.076545353 - +GNA15 5.461 6.52 0.042481553 - +GNA15 5.47 6.49 0.228717968 - +GNA15 5.51 6.45 -0.426006646 - +GNA15 5.54 6.41 -0.344386785 - +GNA15 5.61 6.33 -0.259095334 - +GNA15 5.61 6.34 0.394455724 - +GNA15 5.61 6.37 -0.13550718 - +GNA15 5.62 6.34 -0.085080081 - +GNA15 5.65 6.3 0.43688812 - +GNA15 5.65 6.33 -0.095761855 - +GNA15 5.65 6.34 0.454710446 - +GNA15 5.65 6.37 0.208031448 - +GNA15 5.66 6.34 -0.073327915 - +GNA15 ICL3 6.3 0.329089316 - +GNA15 6.32 8.48 -0.251521236 - +GNA15 6.36 7.56 -0.157417055 - +GNA15 6.36 8.48 0.251224657 - +GNA15 6.39 7.56 -0.152045585 - +GNA15 6.4 7.52 -0.388438597 - +GNA15 6.43 7.52 -0.455437906 - +GNA15 6.48 7.41 -0.363274941 - +GNA15 6.5 7.33 0.584432248 - +GNA15 6.51 7.38 -0.374340411 - +GNA15 6.54 7.3 0.491523597 - +GNA15 6.54 7.33 0.467468097 - +GNA15 6.54 7.34 0.248134414 - +GNA15 6.54 7.37 0.313299966 - +GNA15 6.55 7.38 -0.461454507 - +GNA15 6.57 7.3 0.419208807 - +GNA15 6.57 7.33 0.4276047 - +GNA15 6.58 7.27 0.837159034 - +GNA15 6.58 7.3 0.482771692 - +GNA15 6.58 7.34 0.092086661 - +GNA15 6.61 ECL3 -0.232428263 - +GNA15 6.61 7.26 0.918303397 - +GNA15 6.61 7.27 0.428519524 - +GNA15 6.61 7.3 0.666478563 - +GNA15 6.61 7.33 0.303577721 - +GNA15 1.36 2.64 0.219615065 - +GNA15 1.39 2.56 0.033729648 - +GNA15 1.39 2.6 0.071748349 - +GNA15 1.42 2.56 -0.266157911 - +GNA15 1.5 2.47 0.413246063 - +GNA15 1.51 2.51 0.057371705 - +GNA15 1.6 2.4 0.465228881 - +GNA15 2.41 4.42 0.466220643 - +GNA15 2.42 4.42 0.011351631 - +GNA15 2.42 4.46 -0.109146736 - +GNA15 2.43 3.46 0.054635477 - +GNA15 2.49 3.38 0.406239483 - +GNA15 2.56 3.28 0.151731997 - +GNA15 2.56 3.35 0.281647272 - +GNA15 ECL1.52 3.24 0.865220281 - +GNA15 3.37 5.461 -0.050525206 - +GNA15 3.47 5.58 0.105833067 - +GNA15 5.4 6.59 0.102737061 - +GNA15 5.44 6.55 -0.192878884 - +GNA15 5.66 6.3 -0.134487862 - +GNA15 6.43 7.48 -0.161978304 - +GNA15 6.47 7.41 -0.296187094 - +GNA15 6.48 7.42 2.55E-16 - +GNA15 6.48 7.46 -0.079193111 - +GNA15 6.51 7.34 0.0201157 - +GNA15 6.55 7.34 -0.114796343 - +GNA15 Cterm Cterm -0.667281981 - +GNA15 1.43 2.54 0.045364569 - +GNA15 1.47 2.55 -0.504053035 - +GNA15 1.54 2.51 0.263609047 - +GNA15 1.56 8.54 -0.449864782 - +GNA15 1.59 8.57 -0.238342347 - +GNA15 2.49 3.35 0.606834401 - +GNA15 2.53 7.46 0.033729648 - +GNA15 2.62 ECL1.52 0.516884649 - +GNA15 3.25 ECL2.5 0.099756565 - +GNA15 3.41 5.461 -0.039549379 - +GNA15 3.45 4.46 0.113846592 - +GNA15 3.49 4.45 0.825474956 - +GNA15 4.61 5.4 -0.050525206 - +GNA15 ECL2 5.37 -0.397338741 - +GNA15 5.55 6.45 -0.076545353 - +GNA15 5.62 6.35 0.859154207 - +GNA15 6.57 ECL3 -0.388067833 - +GNA15 1.42 2.54 -0.488647331 - +GNA15 1.45 2.54 -0.538665652 - +GNA15 1.49 2.54 -0.62356977 - +GNA15 1.5 2.54 -0.700492625 - +GNA15 1.51 2.54 -0.667281981 - +GNA15 1.53 2.54 -0.498490387 - +GNA15 1.54 2.48 -0.109146736 - +GNA15 1.54 2.54 -0.922591986 - +GNA15 1.57 ICL1.5 -0.10451376 - +GNA15 2.52 3.35 0.099756565 - +GNA15 2.53 3.35 -0.182082712 - +GNA15 2.551 3.35 -0.212841333 - +GNA15 2.63 ECL1.5 -0.145027376 - +GNA15 3.33 4.57 0.10451376 - +GNA15 3.52 ICL2.55 0.090516116 - +GNA15 3.56 ICL2.56 -0.192878884 - +GNA15 4.56 5.461 -0.230277272 - +GNA15 5.41 6.6 -0.192878884 - +GNA15 5.62 6.37 -0.034154899 - +GNA15 5.66 6.35 0.500337427 - +GNA15 6.35 7.56 -0.597001593 - +GNA15 6.4 7.53 -0.212841333 - +GNA15 6.51 7.41 -0.584685726 - +GNA15 6.55 7.41 -0.419868081 - +GNA15 8.59 Cterm -0.335344979 - +GNA15 1.35 2.65 -0.341126265 - +GNA15 1.46 2.5 -0.220205228 - +GNA15 1.52 2.54 -0.625357455 - +GNA15 ICL3 ICL3 0.090516116 - +GNA15 6.58 ECL3 -0.269514589 - +GNA15 ECL3 ECL3 -0.333892874 - +GNA15 1.35 2.64 0.374456999 - +GNA15 2.5 3.39 -0.247865243 - +GNA15 2.66 3.21 -0.348867179 - +GNA15 ECL2 5.39 -0.333971868 - +GNA15 ICL3 6.26 -0.300677688 - +GNA15 6.52 7.41 0.208031448 - +GNA15 ECL3 7.3 0.1082502 - +GNA15 4.6 5.39 0.051644813 - +GNA15 1.53 2.43 0.140352843 - +GNA15 1.57 2.47 0.151731997 - +GNA15 ICL1 2.4 0.654426231 - +GNA15 2.45 4.5 -0.134303607 - +GNA15 2.66 ECL1.52 0.362526047 - +GNA15 3.49 ICL2.53 -0.017639503 - +GNA15 3.49 4.46 0.629767004 - +GNA15 5.65 6.31 0.395820227 - +GNA15 5.66 6.31 0.521542949 - +GNA15 ICL1.49 2.4 -0.106811312 - +GNA15 2.46 3.46 -1 - +GNA15 3.37 4.53 0.127914504 - +GNA15 5.47 6.52 0.416135134 - +GNA15 5.62 6.38 0.127914504 - +GNA15 6.61 7.29 0.447011082 - +GNA15 8.55 Cterm -0.45703596 - +GNA15 Nterm 1.32 -0.392541737 - +GNA15 3.3 4.61 0.405993741 - +GNA15 3.49 4.43 0.636318374 - +GNA15 3.55 5.6 2.55E-16 - +GNA15 2.5 7.46 0.252731474 - +GNA15 1.56 8.57 -0.139549425 - +GNA15 1.6 8.56 -0.741855734 - +GNA15 ECL1.5 3.21 -0.45703596 - +GNA15 3.53 ICL2.53 -0.513672272 - +GNA15 1.55 8.57 -0.629767004 - +GNA15 6.48 7.38 -0.397338741 - +GNA15 ICL2.57 4.42 -0.906367168 - diff --git a/data/contacts/GNA15_shed_positions.txt b/data/contacts/GNA15_shed_positions.txt new file mode 100644 index 000000000..66a641a4e --- /dev/null +++ b/data/contacts/GNA15_shed_positions.txt @@ -0,0 +1,231 @@ +6.26 6.27 +6.48 6.51 +3.52 3.56 +6.51 6.55 +3.43 3.49 +3.46 3.53 +3.42 3.5 +3.25 3.46 +Nterm Nterm +1.36 2.61 +1.36 2.65 +1.39 2.61 +1.4 2.61 +1.4 2.65 +1.42 2.53 +1.46 2.54 +1.47 2.51 +1.47 2.54 +1.53 2.47 +1.54 2.44 +1.54 2.47 +1.56 8.5 +1.57 2.39 +1.57 2.4 +1.57 2.41 +1.57 2.42 +1.57 2.43 +1.57 2.44 +1.58 2.44 +1.6 8.53 +ICL1.48 2.4 +ICL1.5 2.4 +2.38 4.42 +2.39 3.49 +2.42 3.46 +2.42 3.49 +2.45 3.42 +2.49 3.39 +2.49 3.42 +2.59 3.24 +2.59 3.28 +2.6 3.28 +2.6 3.29 +2.6 3.32 +2.62 ECL1.51 +2.63 3.29 +2.66 ECL1.51 +3.3 4.62 +3.33 4.61 +3.34 4.54 +3.37 4.57 +3.38 4.5 +3.38 4.53 +3.41 4.52 +3.41 4.53 +3.41 4.56 +3.42 4.46 +3.42 4.49 +3.42 4.5 +3.44 4.49 +3.45 4.45 +3.45 4.49 +3.48 5.57 +3.49 ICL2.57 +3.49 4.39 +3.49 4.41 +3.49 4.42 +3.51 5.6 +3.52 ICL2.52 +3.52 ICL2.56 +3.52 ICL2.57 +3.55 5.64 +ICL2.56 4.41 +4.57 5.461 +4.61 5.39 +ECL2 ECL2 +ECL2 ECL2.51 +ECL2 5.35 +ECL2 5.36 +5.36 6.59 +5.37 6.6 +5.43 6.55 +5.461 6.52 +5.47 6.49 +5.51 6.45 +5.54 6.41 +5.61 6.33 +5.61 6.34 +5.61 6.37 +5.62 6.34 +5.65 6.3 +5.65 6.33 +5.65 6.34 +5.65 6.37 +5.66 6.34 +ICL3 6.3 +6.32 8.48 +6.36 7.56 +6.36 8.48 +6.39 7.56 +6.4 7.52 +6.43 7.52 +6.48 7.41 +6.5 7.33 +6.51 7.38 +6.54 7.3 +6.54 7.33 +6.54 7.34 +6.54 7.37 +6.55 7.38 +6.57 7.3 +6.57 7.33 +6.58 7.27 +6.58 7.3 +6.58 7.34 +6.61 ECL3 +6.61 7.26 +6.61 7.27 +6.61 7.3 +6.61 7.33 +1.36 2.64 +1.39 2.56 +1.39 2.6 +1.42 2.56 +1.5 2.47 +1.51 2.51 +1.6 2.4 +2.41 4.42 +2.42 4.42 +2.42 4.46 +2.43 3.46 +2.49 3.38 +2.56 3.28 +2.56 3.35 +ECL1.52 3.24 +3.37 5.461 +3.47 5.58 +5.4 6.59 +5.44 6.55 +5.66 6.3 +6.43 7.48 +6.47 7.41 +6.48 7.42 +6.48 7.46 +6.51 7.34 +6.55 7.34 +Cterm Cterm +1.43 2.54 +1.47 2.55 +1.54 2.51 +1.56 8.54 +1.59 8.57 +2.49 3.35 +2.53 7.46 +2.62 ECL1.52 +3.25 ECL2.5 +3.41 5.461 +3.45 4.46 +3.49 4.45 +4.61 5.4 +ECL2 5.37 +5.55 6.45 +5.62 6.35 +6.57 ECL3 +1.42 2.54 +1.45 2.54 +1.49 2.54 +1.5 2.54 +1.51 2.54 +1.53 2.54 +1.54 2.48 +1.54 2.54 +1.57 ICL1.5 +2.52 3.35 +2.53 3.35 +2.551 3.35 +2.63 ECL1.5 +3.33 4.57 +3.52 ICL2.55 +3.56 ICL2.56 +4.56 5.461 +5.41 6.6 +5.62 6.37 +5.66 6.35 +6.35 7.56 +6.4 7.53 +6.51 7.41 +6.55 7.41 +8.59 Cterm +1.35 2.65 +1.46 2.5 +1.52 2.54 +ICL3 ICL3 +6.58 ECL3 +ECL3 ECL3 +1.35 2.64 +2.5 3.39 +2.66 3.21 +ECL2 5.39 +ICL3 6.26 +6.52 7.41 +ECL3 7.3 +4.6 5.39 +1.53 2.43 +1.57 2.47 +ICL1 2.4 +2.45 4.5 +2.66 ECL1.52 +3.49 ICL2.53 +3.49 4.46 +5.65 6.31 +5.66 6.31 +ICL1.49 2.4 +2.46 3.46 +3.37 4.53 +5.47 6.52 +5.62 6.38 +6.61 7.29 +8.55 Cterm +Nterm 1.32 +3.3 4.61 +3.49 4.43 +3.55 5.6 +2.5 7.46 +1.56 8.57 +1.6 8.56 +ECL1.5 3.21 +3.53 ICL2.53 +1.55 8.57 +6.48 7.38 +ICL2.57 4.42 diff --git a/data/contacts/gprotein_best_layer.txt b/data/contacts/gprotein_best_layer.txt index 05c5c9b73..e516e1bfb 100644 --- a/data/contacts/gprotein_best_layer.txt +++ b/data/contacts/gprotein_best_layer.txt @@ -1,18 +1,18 @@ -Gprotein assay best_layer -GoA ebret 20 -GoB ebret 33 -GNAZ ebret 32 -GNAS shed 28 -GNAQ shed 31 -GNAL shed 33 -GNAI3 shed 29 -GNAI2 ebret 20 -GNAI1 ebret 31 -GNA15 shed 29 -GNA14 shed 18 -GNA13 shed 18 -GNA12 shed 18 -GNA11 ebret 25 -Barr1-GRK2 ebret 0 -Barr2 ebret 33 -Barr2-GRK2 ebret 0 +Gprotein assay best_layer +GoA ebret 20 +GoB ebret 33 +GNAZ ebret 32 +GNAS shed 28 +GNAQ shed 31 +GNAL shed 33 +GNAI3 shed 29 +GNAI2 ebret 20 +GNAI1 ebret 31 +GNA15 ebret 22 +GNA14 shed 18 +GNA13 shed 18 +GNA12 shed 18 +GNA11 ebret 25 +Barr1-GRK2 ebret 0 +Barr2 ebret 33 +Barr2-GRK2 ebret 0 diff --git a/static/predictor/__pycache__/precogx.cpython-38.pyc b/static/predictor/__pycache__/precogx.cpython-38.pyc index 0d24969e4ffa2b877311bd8eb2ad7cf1b7e6e7f5..81653e7334ec11515695be25deb4cb771d212600 100644 GIT binary patch delta 47 zcmcbUaW{iEl$V!_0SKhxO_Hu`SP(XNdioj2006`oL Apa1{> diff --git a/static/predictor/best_all/GNA15_0.95_29_shed_esm1b.joblib b/static/predictor/best_all/GNA15_0.95_22_ebret_esm1b.joblib similarity index 57% rename from static/predictor/best_all/GNA15_0.95_29_shed_esm1b.joblib rename to static/predictor/best_all/GNA15_0.95_22_ebret_esm1b.joblib index c9c0f6c82abfbdc44746c9660fef162fc74340fd..a8f3a78b380ff75198cdc73e5bbedacafca24165 100644 GIT binary patch delta 109 zcmZo<|I4<)nUPUyvkRjHBV*d+SSD3QsmaYuh87G!5IoIgzs&Ue`@9xw?0?O)XFo^` x1eR=zba36<2IoUW85sUdpSo}IM$kfDDnz3e2V~>w+vDCPy-B004@59^L=| delta 123 zcmey%*2uoWnUPU?vkRjHBV*#^SSD3Q>B-GZh9>C;ciD@a>$PJ*0(WXY*d=V4asVX6 s|5pf1?^9+w@LGR`{Z)tg_LDy{2~T2X!G$JEGn=tYdcM|vawxL~06}^pQ2+n{ diff --git a/static/predictor/precogx.py b/static/predictor/precogx.py index 3e3d8ee95..6a3a95495 100755 --- a/static/predictor/precogx.py +++ b/static/predictor/precogx.py @@ -109,7 +109,7 @@ def main(numseqs, input, input_file, assay, path): data = [['GNAS_0.95_28_shed_esm1b.joblib', 0],['GNAL_0.95_33_shed_esm1b.joblib', 0],['GNAI1_0.95_31_ebret_esm1b.joblib', 0], ['GNAI2_0.95_20_ebret_esm1b.joblib', 0],['GNAI3_0.95_29_shed_esm1b.joblib',0], ['GoA_0.95_20_ebret_esm1b.joblib', 0],['GoB_0.95_33_ebret_esm1b.joblib', 0],['GNAZ_0.95_32_ebret_esm1b.joblib', 0],['GNA11_0.95_25_ebret_esm1b.joblib', 0], - ['GNA14_0.95_18_shed_esm1b.joblib', 0],['GNA15_0.95_29_shed_esm1b.joblib', 0],['GNAQ_0.95_31_shed_esm1b.joblib', 0],['GNA12_0.95_18_shed_esm1b.joblib',0], + ['GNA14_0.95_18_shed_esm1b.joblib', 0],['GNA15_0.95_22_ebret_esm1b.joblib', 0],['GNAQ_0.95_31_shed_esm1b.joblib', 0],['GNA12_0.95_18_shed_esm1b.joblib',0], ['GNA13_0.95_18_shed_esm1b.joblib',0],['Barr1-GRK2_0.95_0_ebret_esm1b.joblib',0], ['Barr2_0.95_33_ebret_esm1b.joblib',0],['Barr2-GRK2_0.95_0_ebret_esm1b.joblib',0]]