Test pI (isoelectric point) result

2022-08-08 21:18:30 +02:00
parent ab80128c45
commit 6388e0c4ee
3 changed files with 100 additions and 76 deletions
--- a/tests/results/1HPX.json
+++ b/tests/results/1HPX.json
@@ -0,0 +1,55 @@
+{
+  "pI_folded": 9.54,
+  "pI_unfolded": 8.9,
+  "pKa": [
+    5.07,
+    3.11,
+    4.62,
+    2.55,
+    9.28,
+    1.78,
+    4.91,
+    2.13,
+    4.78,
+    3.93,
+    3.65,
+    3.89,
+    4.73,
+    3.36,
+    4.07,
+    3.70,
+    2.08,
+    2.11,
+    6.98,
+    7.11,
+    9.41,
+    11.68,
+    9.82,
+    11.61,
+    9.67,
+    9.54,
+    10.43,
+    10.32,
+    11.41,
+    10.54,
+    10.42,
+    10.92,
+    10.55,
+    11.01,
+    11.43,
+    10.47,
+    10.41,
+    11.07,
+    13.96,
+    12.41,
+    14.39,
+    12.35,
+    12.76,
+    12.42,
+    13.73,
+    12.28,
+    8.96,
+    8.96,
+    4.60
+  ]
+}