Project name: query_structure

Chain sequence(s)	A: QLVESGGGLVQAGDSLRLSCAASERALSSFHMGWFRQAPGKQRAFVAAIKWRDGTTYYADSVKGRFTISRDNAKNTVYLQMNSLEPEDTAVYYCYYRGRWGTYWGQGTQVTVSS
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -2.9171
• Maximal score value: 1.0563
• Average score: -0.8614
• Total score value: -98.2007

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	Q	A	-1.2103
2	L	A	0.0000
3	V	A	0.6987
4	E	A	0.0000
5	S	A	-0.5198
6	G	A	-0.9897
7	G	A	-0.8049
8	G	A	-0.0615
9	L	A	1.0563
10	V	A	-0.1657
11	Q	A	-1.4867
12	A	A	-1.7435
13	G	A	-1.7255
14	D	A	-1.7794
15	S	A	-1.5815
16	L	A	-1.1770
17	R	A	-2.0961
18	L	A	0.0000
19	S	A	-0.4471
20	C	A	0.0000
21	A	A	-0.4722
22	A	A	-1.2364
23	S	A	-1.5934
24	E	A	-2.9171
25	R	A	-2.8555
26	A	A	-1.8221
27	L	A	0.0000
28	S	A	-1.2241
29	S	A	-1.0881
30	F	A	-0.7918
31	H	A	-0.8927
32	M	A	0.0000
33	G	A	0.0000
34	W	A	0.0000
35	F	A	0.2413
36	R	A	-0.7280
37	Q	A	-1.5402
38	A	A	-1.7744
39	P	A	-1.3189
40	G	A	-1.7926
41	K	A	-2.8699
42	Q	A	-2.5331
43	R	A	-1.6759
44	A	A	-0.5833
45	F	A	0.3835
46	V	A	0.0000
47	A	A	0.0000
48	A	A	0.0000
49	I	A	0.0000
50	K	A	-1.6062
51	W	A	-1.4532
52	R	A	-2.7698
53	D	A	-2.8307
54	G	A	-1.7240
55	T	A	-1.0429
56	T	A	-0.0409
57	Y	A	0.4299
58	Y	A	-0.2820
59	A	A	-0.9063
60	D	A	-2.2899
61	S	A	-1.7397
62	V	A	0.0000
63	K	A	-2.4984
64	G	A	-1.7603
65	R	A	-1.4673
66	F	A	0.0000
67	T	A	-0.7378
68	I	A	0.0000
69	S	A	-0.5861
70	R	A	-1.1610
71	D	A	-1.8374
72	N	A	-2.1673
73	A	A	-1.5903
74	K	A	-2.3938
75	N	A	-2.4244
76	T	A	0.0000
77	V	A	0.0000
78	Y	A	-0.6324
79	L	A	0.0000
80	Q	A	-1.1987
81	M	A	0.0000
82	N	A	-1.5906
83	S	A	-1.4816
84	L	A	0.0000
85	E	A	-2.5498
86	P	A	-1.9263
87	E	A	-2.3513
88	D	A	0.0000
89	T	A	-0.9713
90	A	A	0.0000
91	V	A	-0.5955
92	Y	A	0.0000
93	Y	A	0.0174
94	C	A	0.0000
95	Y	A	0.0000
96	Y	A	-0.4463
97	R	A	-1.0825
98	G	A	-1.0047
99	R	A	-1.5587
100	W	A	0.0564
101	G	A	-0.2315
102	T	A	-0.0700
103	Y	A	0.7181
104	W	A	0.6275
105	G	A	0.0395
106	Q	A	-0.8732
107	G	A	0.0000
108	T	A	0.0000
109	Q	A	-1.0643
110	V	A	0.0000
111	T	A	-0.3080
112	V	A	0.0000
113	S	A	-0.8542
114	S	A	-0.8703