Project name: query_structure

Chain sequence(s)	A: MADVQLVESGGGLVQAGGSLRLSCTASGLTISTYNIGWFRQAPGKEREFVGIIIRNGDTTYYADSVKGRFTISRDNAKNTVYLQMNSVKPADAAVYSCGATVRAGAAAEQYNSYIFRGQGTQVTV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:39)

• Minimal score value: -3.5293
• Maximal score value: 1.856
• Average score: -0.7637
• Total score value: -95.4686

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	M	A	0.6522
2	A	A	-0.4308
3	D	A	-1.6391
4	V	A	-0.8227
5	Q	A	-1.4608
6	L	A	0.0000
7	V	A	0.3265
8	E	A	0.0000
9	S	A	-0.5486
10	G	A	-0.9974
11	G	A	-0.7892
12	G	A	0.0833
13	L	A	1.1844
14	V	A	0.0000
15	Q	A	-1.0275
16	A	A	-1.0121
17	G	A	-1.2785
18	G	A	-1.0064
19	S	A	-1.3013
20	L	A	-1.0247
21	R	A	-2.1172
22	L	A	0.0000
23	S	A	-0.4731
24	C	A	0.0000
25	T	A	-0.2832
26	A	A	0.0000
27	S	A	-0.6728
28	G	A	-0.6999
29	L	A	-0.3135
30	T	A	-0.4781
31	I	A	0.0000
32	S	A	-1.3140
33	T	A	-0.4035
34	Y	A	0.1035
35	N	A	0.0000
36	I	A	0.0000
37	G	A	0.0000
38	W	A	0.0000
39	F	A	0.0000
40	R	A	-1.3532
41	Q	A	-2.2260
42	A	A	-1.7686
43	P	A	-1.4273
44	G	A	-1.9897
45	K	A	-3.3764
46	E	A	-3.5293
47	R	A	-2.5774
48	E	A	-2.0337
49	F	A	-1.2000
50	V	A	0.0000
51	G	A	0.0000
52	I	A	0.0000
53	I	A	0.0000
54	I	A	-1.1055
55	R	A	-2.2045
56	N	A	-2.6785
57	G	A	-2.2957
58	D	A	-2.4878
59	T	A	-1.1816
60	T	A	-0.1462
61	Y	A	0.4547
62	Y	A	-0.4287
63	A	A	-1.1873
64	D	A	-2.3299
65	S	A	-1.5888
66	V	A	0.0000
67	K	A	-2.4985
68	G	A	-1.7654
69	R	A	-1.4711
70	F	A	0.0000
71	T	A	-0.7397
72	I	A	0.0000
73	S	A	-0.7395
74	R	A	-1.5206
75	D	A	-1.9486
76	N	A	-2.4845
77	A	A	-1.7143
78	K	A	-2.4435
79	N	A	-1.8291
80	T	A	0.0000
81	V	A	0.0000
82	Y	A	-0.6506
83	L	A	0.0000
84	Q	A	-1.1879
85	M	A	0.0000
86	N	A	-1.4013
87	S	A	-1.2644
88	V	A	0.0000
89	K	A	-1.6111
90	P	A	-0.8098
91	A	A	-0.3779
92	D	A	0.0000
93	A	A	-0.1622
94	A	A	0.0000
95	V	A	-0.5599
96	Y	A	0.0000
97	S	A	-0.7901
98	C	A	0.0000
99	G	A	0.0000
100	A	A	0.0000
101	T	A	0.0000
102	V	A	1.1048
103	R	A	-0.9448
104	A	A	-0.7219
105	G	A	-0.7684
106	A	A	-0.6184
107	A	A	-1.2413
108	A	A	0.0000
109	E	A	-2.4480
110	Q	A	-2.1349
111	Y	A	-1.0119
112	N	A	-1.2218
113	S	A	-0.5379
114	Y	A	0.4668
115	I	A	1.8560
116	F	A	0.5576
117	R	A	-1.3537
118	G	A	0.0000
119	Q	A	-1.5308
120	G	A	0.0000
121	T	A	0.0000
122	Q	A	-1.1405
123	V	A	0.0000
124	T	A	0.2686
125	V	A	0.3278