Protein ΔΔG Comparison

Boxplot ΔΔG Comparison | HeatMaps Mean ΔΔG | Scatter Plot ΔΔG

PDB ID	Mean ΔΔG (FoldX)	SD ΔΔG (FoldX)	Mean ΔΔG (Experiment)	SD ΔΔG (Experiment)	ΔG (Experiment)	ΔG (FoldX)	R² (Experiment vs Prediction)
2L9R	1.02	2.25	-0.37	0.52	1.63	43.55	0.36
6EWT	1.5	2.95	-1.17	1.57	4.17	29.35	0.34
2JWS	1.23	3.72	-0.92	1.22	nan	97.7	0.18
2M8U	1.69	3.3	-0.36	0.67	nan	50.73	0.12
2LP5	1.43	2.33	-1.04	1.19	nan	26.4	0.3
2WQG	0.74	3.03	-0.94	1.07	1.68	97.0	0.15
2LYR	0.91	2.23	-0.9	1.01	nan	97.34	0.15
2HBB	2.29	3.68	-1.24	1.25	2.32	3.69	0.14
2KRU	1.67	3.66	-1.27	1.67	3.78	26.54	0.32
2KCM	1.13	3.28	-1.52	1.66	4.24	104.45	0.21
1TG0	2.22	4.87	-1.19	1.35	2.36	11.99	0.23
2L2P	1.59	3.01	-0.5	0.9	nan	18.48	0.1
2KVT	1.24	3.17	-1.4	1.56	4.16	59.15	0.12
2MC5	1.62	4.52	-0.74	0.89	1.38	87.01	0.07
2B88	1.64	4.99	-0.57	0.93	nan	82.2	0.08
2LO1	1.12	2.03	-1.09	1.3	3.91	52.78	0.35
2JN4	1.23	1.98	-1.53	1.44	2.65	43.36	0.25
6YSE	0.75	1.43	-0.88	0.9	1.38	23.26	0.4
1PSE	1.52	4.32	-0.4	0.77	1.33	107.27	0.06
2M8E	0.77	1.28	-0.88	0.91	1.83	53.1	0.35
2M2L	0.93	2.77	-1.01	1.18	2.28	125.17	0.1
6EWS	1.5	3.37	-1.08	1.35	nan	32.65	0.21
1H92	1.28	3.26	-1.04	1.14	nan	99.94	0.17
2M0C	1.12	2.52	-1.15	1.5	nan	59.38	0.25
2JT1	1.32	2.5	-0.71	0.97	3.26	39.11	0.28
2LQK	1.24	2.15	-0.76	1.02	1.6	41.95	0.29
1AOY	1.58	2.83	-0.9	1.14	3.42	49.04	0.29
2JZ2	1.49	3.07	-1.09	1.47	3.34	43.57	0.26
2MI6	1.12	2.74	-1.29	1.54	3.86	68.14	0.34
6SCW	1.48	4.1	-1.55	1.65	nan	123.34	0.13
6EWU	1.33	2.51	-1.06	1.45	nan	49.28	0.38
1GJS	0.7	1.54	-0.84	1.14	3.16	67.81	0.33
2K28	1.09	1.81	-0.92	1.09	2.69	29.18	0.21
2L6Q	0.28	1.19	-0.74	0.98	2.8	108.98	0.26
2JVD	0.77	1.51	-0.82	0.97	2.16	21.62	0.26
2RRU	2.2	2.89	-0.92	0.93	2.42	72.33	0.34
1JIC	0.63	1.32	-1.03	1.39	4.22	60.27	0.48
2M0Y	1.76	4.55	-0.81	1.07	2.1	106.76	0.1
2KR3	1.09	2.14	-1.33	1.47	2.9	67.28	0.3
2K5N	1.9	4.08	-1.38	1.55	4.02	48.47	0.3
2K1B	1.15	1.77	-0.76	0.86	nan	39.46	0.13
2JTV	1.57	3.35	-1.42	1.75	4.06	43.25	0.35
1R69	1.81	2.42	-1.23	1.32	3.17	25.43	0.46
2AMI	1.33	3.16	-0.5	0.91	2.3	35.18	0.15
2RRT	0.73	1.86	-0.52	1.03	nan	125.2	0.26
6SOW	1.06	2.4	-0.44	1.04	nan	30.95	0.31
6ACV	1.21	2.69	-1.01	1.31	2.77	93.06	0.24
2L09	1.82	4.28	-0.9	1.31	nan	26.22	0.29
1O6X	0.94	2.24	-0.81	1.18	4.17	176.21	0.15
2KGT	1.16	3.18	-1.07	1.08	nan	90.82	0.09
6FVC	0.92	1.48	-0.72	0.76	nan	61.69	0.43
3CQT	1.78	3.21	-1.27	1.46	nan	15.32	0.32
1YP5	1.94	3.14	-1.31	1.06	nan	4.06	0.21
2K5P	1.15	2.11	-0.84	1.07	2.52	74.66	0.33
2KZJ	0.9	2.26	-0.55	1.12	nan	33.9	0.34
5UBS	0.97	2.77	-0.82	1.23	3.23	63.89	0.04
2LJ3	0.87	2.4	-1.6	1.67	nan	91.21	0.11
2D1U	1.45	2.86	-0.87	1.0	1.37	128.5	0.11
1V1C	0.77	1.75	-1.11	1.34	3.58	72.91	0.16