Project name: bfcb3c589c91cc9

Chain sequence(s)	A: AQVQLQESGGGLVQPGGSLRLSCAASGFTFSSYGMSWVRQAPGKGLEWVSAINSNGGSTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCASGDYWGQGTQVTVSS
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -2.4551
• Maximal score value: 0.9961
• Average score: -0.6926
• Total score value: -78.269

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	A	A	-0.6892
2	Q	A	-1.4307
3	V	A	-0.7547
4	Q	A	-1.5903
5	L	A	0.0000
6	Q	A	-1.7306
7	E	A	0.0000
8	S	A	-1.1547
9	G	A	-1.0465
10	G	A	-0.7215
11	G	A	-0.0015
12	L	A	0.9961
13	V	A	-0.0411
14	Q	A	-1.3225
15	P	A	-1.5225
16	G	A	-1.3476
17	G	A	-0.8743
18	S	A	-0.9796
19	L	A	-0.7262
20	R	A	-1.7744
21	L	A	0.0000
22	S	A	-0.7766
23	C	A	0.0000
24	A	A	-1.0950
25	A	A	0.0000
26	S	A	-0.9672
27	G	A	-0.8393
28	F	A	-0.1705
29	T	A	0.0291
30	F	A	0.0000
31	S	A	-0.8590
32	S	A	-0.1262
33	Y	A	0.5285
34	G	A	-0.4245
35	M	A	0.0000
36	S	A	0.2512
37	W	A	0.0000
38	V	A	0.0000
39	R	A	0.0000
40	Q	A	-0.6926
41	A	A	-1.2558
42	P	A	-0.9803
43	G	A	-1.4247
44	K	A	-2.1024
45	G	A	-0.9286
46	L	A	0.5195
47	E	A	-0.1913
48	W	A	0.5229
49	V	A	0.0000
50	S	A	0.0000
51	A	A	0.2289
52	I	A	0.0000
53	N	A	-1.1682
54	S	A	-1.0352
55	N	A	-1.8964
56	G	A	-1.6231
57	G	A	-1.2313
58	S	A	-0.6551
59	T	A	0.1242
60	Y	A	0.6079
61	Y	A	-0.2959
62	A	A	-1.0738
63	D	A	-2.3481
64	S	A	-1.8026
65	V	A	0.0000
66	K	A	-2.4551
67	G	A	-1.7630
68	R	A	-1.3491
69	F	A	0.0000
70	T	A	-0.7074
71	I	A	0.0000
72	S	A	-0.7382
73	R	A	-1.3793
74	D	A	-1.7425
75	N	A	-1.8614
76	A	A	-1.3680
77	K	A	-2.2706
78	N	A	-1.6492
79	T	A	0.0000
80	V	A	0.0000
81	Y	A	-0.5624
82	L	A	0.0000
83	Q	A	-1.2223
84	M	A	0.0000
85	N	A	-1.3049
86	S	A	-1.1753
87	L	A	0.0000
88	K	A	-2.1868
89	P	A	-1.9332
90	E	A	-2.3244
91	D	A	0.0000
92	T	A	-0.9422
93	A	A	0.0000
94	V	A	-0.3081
95	Y	A	0.0000
96	Y	A	-0.0868
97	C	A	0.0000
98	A	A	0.0000
99	S	A	0.0000
100	G	A	-0.7906
101	D	A	-1.3973
102	Y	A	0.0782
103	W	A	-0.0101
104	G	A	-0.7102
105	Q	A	-1.4472
106	G	A	-0.9967
107	T	A	-1.0991
108	Q	A	-1.0379
109	V	A	0.0000
110	T	A	-0.3603
111	V	A	0.0000
112	S	A	-0.7988
113	S	A	-0.5055