Project name: 69c9727f695a1c7 [mutate: VR5A] [mutate: LK11A] [mutate: YH38A] [mutate: HR38A]

Chain sequence(s)	A: DVQLRESGGGKVQAGGSLRLSCTVSTSRFSGVGRMAWHRQAPGKQREKVAEITRAGSRTYADAVKGRFTISRDNAKNTVYLQMDRLKPEDTAVYWCVRARWQSGTPRTPGTQVTVSS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No
Mutated residues	HR38A
Energy difference between WT (input) and mutated protein (by FoldX)	0.875011 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:44)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.0241
• Maximal score value: 0.0
• Average score: -1.2671
• Total score value: -148.2503

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	D	A	-1.9040
2	V	A	-1.6471
3	Q	A	-2.0165
4	L	A	-1.8991
5	R	A	-2.2655
6	E	A	0.0000
7	S	A	-1.1894
8	G	A	-1.3288
9	G	A	-1.4983
10	G	A	-1.7009
11	K	A	-2.3056
12	V	A	0.0000
13	Q	A	-2.1162
14	A	A	-2.0936
15	G	A	-1.8658
16	G	A	-1.7128
17	S	A	-1.7997
18	L	A	-1.8247
19	R	A	-2.2654
20	L	A	0.0000
21	S	A	-0.9834
22	C	A	0.0000
23	T	A	-1.2548
24	V	A	0.0000
25	S	A	-1.3606
26	T	A	-1.3050
27	S	A	-1.2283
28	R	A	-2.2675
29	F	A	0.0000
30	S	A	-1.7176
31	G	A	-1.7542
32	V	A	0.0000
33	G	A	-2.0531
34	R	A	-2.6472
35	M	A	0.0000
36	A	A	0.0000
37	W	A	0.0000
38	R	A	-1.0108	mutated: HR38A
39	R	A	0.0000
40	Q	A	-2.0782
41	A	A	-1.8490
42	P	A	-1.3266
43	G	A	-1.8353
44	K	A	-3.0241
45	Q	A	-2.8619
46	R	A	-2.4945
47	E	A	-2.3546
48	K	A	-1.3872
49	V	A	0.0000
50	A	A	0.0000
51	E	A	0.0000
52	I	A	0.0000
53	T	A	-2.1408
54	R	A	-2.7822
55	A	A	-1.4694
56	G	A	-1.6467
57	S	A	-1.5721
58	R	A	-1.9917
59	T	A	-1.2584
60	Y	A	-1.2869
61	A	A	-1.5638
62	D	A	-2.4012
63	A	A	-1.5961
64	V	A	0.0000
65	K	A	-2.5775
66	G	A	-1.9992
67	R	A	-2.1268
68	F	A	0.0000
69	T	A	-1.1745
70	I	A	0.0000
71	S	A	-0.8512
72	R	A	-1.6143
73	D	A	-1.6962
74	N	A	-2.3607
75	A	A	-1.5049
76	K	A	-2.2898
77	N	A	-1.9682
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7329
81	L	A	0.0000
82	Q	A	-1.5575
83	M	A	0.0000
84	D	A	-2.5690
85	R	A	-2.9235
86	L	A	0.0000
87	K	A	-2.7141
88	P	A	-1.8492
89	E	A	-2.3016
90	D	A	0.0000
91	T	A	-1.3506
92	A	A	0.0000
93	V	A	-0.4548
94	Y	A	0.0000
95	W	A	-0.7701
96	C	A	0.0000
97	V	A	0.0000
98	R	A	-2.2346
99	A	A	0.0000
100	R	A	-2.6300
101	W	A	-1.5862
102	Q	A	-1.8212
103	S	A	-1.0193
104	G	A	-0.8223
105	T	A	-0.8757
106	P	A	-1.0613
107	R	A	-2.2455
108	T	A	0.0000
109	P	A	-1.0133
110	G	A	-1.0190
111	T	A	-0.9647
112	Q	A	-1.5581
113	V	A	0.0000
114	T	A	-1.5960
115	V	A	0.0000
116	S	A	-1.4383
117	S	A	-1.0416