Project name: 22.07selen

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASASSPSAKMLRWGWFRQAPGQGLEAVAQSEDEAKKIGIPNAKDPRFTISRDNSKNTLYLQMNSLRAEDTAVYYCADATLLDTEEQLAERGDWGQGTLVTVSS
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -3.9711
• Maximal score value: 1.6511
• Average score: -0.9398
• Total score value: -118.4141

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	-1.4594
2	V	A	-0.8484
3	Q	A	-1.3096
4	L	A	0.0000
5	V	A	0.6310
6	E	A	0.0000
7	S	A	-0.2744
8	G	A	-0.6374
9	G	A	0.1689
10	G	A	0.8892
11	L	A	1.4041
12	V	A	-0.0713
13	Q	A	-1.4208
14	P	A	-1.7746
15	G	A	-1.5032
16	G	A	-1.0351
17	S	A	-1.2899
18	L	A	-0.9179
19	R	A	-2.0752
20	L	A	0.0000
21	S	A	-0.5112
22	C	A	0.0000
23	A	A	-0.2838
24	A	A	0.0000
25	S	A	-0.6239
26	A	A	-0.5298
27	S	A	-0.6007
28	S	A	-0.7772
29	P	A	-0.6410
30	S	A	-0.9723
31	A	A	-0.8523
32	K	A	-1.6269
33	M	A	-0.8331
34	L	A	-0.1586
35	R	A	-0.5428
36	W	A	0.0000
37	G	A	0.0000
38	W	A	0.0000
39	F	A	0.0000
40	R	A	-0.5401
41	Q	A	-0.9279
42	A	A	-1.1289
43	P	A	-1.0054
44	G	A	-1.3530
45	Q	A	-1.9346
46	G	A	-1.3506
47	L	A	-0.7469
48	E	A	-1.4167
49	A	A	-0.8631
50	V	A	0.0000
51	A	A	0.0000
52	Q	A	0.0000
53	S	A	-1.7878
54	E	A	-3.6022
55	D	A	-3.5370
56	E	A	0.0000
57	A	A	0.0000
58	K	A	-3.9432
59	K	A	-3.7992
60	I	A	0.0000
61	G	A	-2.3637
62	I	A	0.0000
63	P	A	-1.3975
64	N	A	-1.8570
65	A	A	-1.5440
66	K	A	-2.3236
67	D	A	-1.5249
68	P	A	-1.1567
69	R	A	-1.0452
70	F	A	0.0000
71	T	A	-0.6862
72	I	A	-0.2416
73	S	A	-0.9073
74	R	A	-2.2092
75	D	A	-2.5896
76	N	A	-2.8968
77	S	A	-2.1018
78	K	A	-2.7215
79	N	A	-2.0657
80	T	A	0.0000
81	L	A	0.0000
82	Y	A	-0.8623
83	L	A	0.0000
84	Q	A	-1.1464
85	M	A	0.0000
86	N	A	-1.4300
87	S	A	-1.3058
88	L	A	0.0000
89	R	A	-2.6493
90	A	A	-1.8901
91	E	A	-2.3510
92	D	A	0.0000
93	T	A	-0.4658
94	A	A	0.0000
95	V	A	0.8630
96	Y	A	0.0000
97	Y	A	0.3106
98	C	A	0.0000
99	A	A	0.0000
100	D	A	-0.3490
101	A	A	0.0000
102	T	A	0.1558
103	L	A	0.6510
104	L	A	0.0000
105	D	A	-2.8971
106	T	A	-2.9131
107	E	A	-3.6863
108	E	A	-3.9711
109	Q	A	-3.4192
110	L	A	0.0000
111	A	A	-2.5383
112	E	A	-3.6626
113	R	A	-3.2339
114	G	A	-1.9287
115	D	A	-1.2820
116	W	A	-0.6810
117	G	A	-0.4073
118	Q	A	-0.7658
119	G	A	0.0000
120	T	A	0.6540
121	L	A	1.6511
122	V	A	0.0000
123	T	A	0.3722
124	V	A	0.0000
125	S	A	-0.7068
126	S	A	-0.4824