Project name: query_structure

Chain sequence(s)	A: MADVQLVESGGGLVQAGGSLRLSCAASGRTISMAAMSWFRQAPGKEREFVAGISRSAGSAVHADSVKGRFTISRDNTKNTLYLQMNSLKAEDTAVYYCAVRTSGFFGSIPRTGTAFDYWGQGTQVTVS
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]                                                (00:00:00)
[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 minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -3.8091
• Maximal score value: 1.5085
• Average score: -0.7809
• Total score value: -99.9588

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	0.3757
2	A	A	-0.8480
3	D	A	-2.0437
4	V	A	-1.5754
5	Q	A	-1.5456
6	L	A	0.0000
7	V	A	0.3884
8	E	A	-0.3456
9	S	A	-0.6563
10	G	A	-1.0201
11	G	A	-0.8451
12	G	A	-0.0494
13	L	A	1.0221
14	V	A	0.0389
15	Q	A	-1.1508
16	A	A	-1.3898
17	G	A	-1.4004
18	G	A	-1.0225
19	S	A	-1.5161
20	L	A	-1.2574
21	R	A	-2.3382
22	L	A	0.0000
23	S	A	-0.5790
24	C	A	0.0000
25	A	A	-0.3964
26	A	A	0.0000
27	S	A	-1.3108
28	G	A	-1.6960
29	R	A	-2.0921
30	T	A	-0.6637
31	I	A	0.0000
32	S	A	-0.9389
33	M	A	-0.0943
34	A	A	0.0000
35	A	A	-0.3027
36	M	A	0.0000
37	S	A	0.0000
38	W	A	0.0000
39	F	A	-0.7465
40	R	A	-1.6652
41	Q	A	-2.4073
42	A	A	-2.2313
43	P	A	-1.4415
44	G	A	-1.9534
45	K	A	-3.5172
46	E	A	-3.8091
47	R	A	-3.2293
48	E	A	-2.9296
49	F	A	-1.1415
50	V	A	0.0000
51	A	A	0.0000
52	G	A	0.0000
53	I	A	0.0000
54	S	A	-0.6575
55	R	A	-1.7190
56	S	A	-1.2492
57	A	A	-1.1723
58	G	A	-0.9107
59	S	A	-0.4375
60	A	A	0.0728
61	V	A	0.3241
62	H	A	-0.8283
63	A	A	-1.5186
64	D	A	-2.4551
65	S	A	-1.8516
66	V	A	0.0000
67	K	A	-2.6470
68	G	A	-1.9292
69	R	A	-1.8112
70	F	A	0.0000
71	T	A	-1.0520
72	I	A	0.0000
73	S	A	-0.4751
74	R	A	-1.2984
75	D	A	-1.7487
76	N	A	-2.0609
77	T	A	-1.6241
78	K	A	-2.4126
79	N	A	-1.7026
80	T	A	0.0000
81	L	A	0.0000
82	Y	A	-0.7141
83	L	A	0.0000
84	Q	A	-1.6798
85	M	A	0.0000
86	N	A	-2.1338
87	S	A	-1.4941
88	L	A	0.0000
89	K	A	-2.2842
90	A	A	-1.6606
91	E	A	-2.2305
92	D	A	0.0000
93	T	A	-0.9327
94	A	A	0.0000
95	V	A	-0.7135
96	Y	A	0.0000
97	Y	A	-0.4317
98	C	A	0.0000
99	A	A	0.0000
100	V	A	0.0000
101	R	A	-0.3216
102	T	A	-0.3502
103	S	A	-0.0177
104	G	A	0.1578
105	F	A	1.4458
106	F	A	1.0285
107	G	A	0.7140
108	S	A	0.7261
109	I	A	1.5085
110	P	A	-0.0418
111	R	A	-1.4725
112	T	A	-0.8835
113	G	A	-0.6250
114	T	A	-0.4271
115	A	A	-0.3296
116	F	A	-0.2268
117	D	A	-0.8769
118	Y	A	-0.1659
119	W	A	0.2077
120	G	A	-0.1992
121	Q	A	-1.1517
122	G	A	-0.7117
123	T	A	0.0000
124	Q	A	-1.2464
125	V	A	0.0000
126	T	A	-0.2742
127	V	A	0.0000
128	S	A	-0.6606