Project name: query_structure

Chain sequence(s)	A: EVQLQASGGGLVQPGGSLRLACQYSWFRQSPGKEREFVARFTTSSDNFKKTAYLQMNGLKPEDTALYYCTESQGTQVTVSSGREGTTTVGAIRWTDSRTPHTDSDTWNSVVTGTAADW
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -4.1578
• Maximal score value: 2.8578
• Average score: -0.8895
• Total score value: -104.9585

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	E	A	-1.1251
2	V	A	0.6458
3	Q	A	-0.3865
4	L	A	0.6858
5	Q	A	-0.6520
6	A	A	-0.8306
7	S	A	-0.8482
8	G	A	-0.9502
9	G	A	-0.4488
10	G	A	0.0672
11	L	A	0.6736
12	V	A	-0.6683
13	Q	A	-1.5739
14	P	A	-1.9195
15	G	A	-1.6050
16	G	A	-1.2360
17	S	A	-1.5552
18	L	A	-1.3741
19	R	A	-1.9835
20	L	A	0.0000
21	A	A	-0.0125
22	C	A	0.0000
23	Q	A	-0.4791
24	Y	A	0.3538
25	S	A	0.0000
26	W	A	0.0000
27	F	A	-0.4887
28	R	A	-1.5988
29	Q	A	-2.4884
30	S	A	-2.4328
31	P	A	-1.7616
32	G	A	-2.0461
33	K	A	-3.7374
34	E	A	-4.1578
35	R	A	-3.8057
36	E	A	-2.8412
37	F	A	-0.4197
38	V	A	0.1448
39	A	A	0.0636
40	R	A	-0.8653
41	F	A	0.1128
42	T	A	-0.2093
43	T	A	-0.7094
44	S	A	-0.9075
45	S	A	-1.2789
46	D	A	-2.4307
47	N	A	-1.8299
48	F	A	-0.0487
49	K	A	-1.6555
50	K	A	-1.1698
51	T	A	-0.0489
52	A	A	0.0766
53	Y	A	0.6901
54	L	A	-0.0159
55	Q	A	-1.4903
56	M	A	-1.5517
57	N	A	-2.1067
58	G	A	-1.6112
59	L	A	0.0000
60	K	A	-2.8265
61	P	A	-2.2107
62	E	A	-2.6781
63	D	A	-1.9572
64	T	A	-1.1996
65	A	A	0.0000
66	L	A	-0.4143
67	Y	A	0.0000
68	Y	A	-0.3270
69	C	A	0.0000
70	T	A	-0.8774
71	E	A	-1.7915
72	S	A	-1.3532
73	Q	A	-1.8695
74	G	A	0.0000
75	T	A	-0.6027
76	Q	A	-0.3714
77	V	A	0.0000
78	T	A	-0.2756
79	V	A	0.0000
80	S	A	-1.2161
81	S	A	-1.5873
82	G	A	-2.2542
83	R	A	-3.0792
84	E	A	-3.0671
85	G	A	-1.9795
86	T	A	-1.1980
87	T	A	0.0938
88	T	A	1.4284
89	V	A	2.6025
90	G	A	1.7734
91	A	A	0.5884
92	I	A	0.0808
93	R	A	-1.8916
94	W	A	-1.1907
95	T	A	-1.6377
96	D	A	-2.7798
97	S	A	-2.3710
98	R	A	-2.7169
99	T	A	-1.9844
100	P	A	-1.6320
101	H	A	-1.8648
102	T	A	-1.7865
103	D	A	-2.7770
104	S	A	-1.8999
105	D	A	-2.3788
106	T	A	-1.1639
107	W	A	0.3085
108	N	A	-0.3676
109	S	A	0.9901
110	V	A	2.8025
111	V	A	2.8578
112	T	A	1.7019
113	G	A	1.1489
114	T	A	0.0674
115	A	A	-0.4439
116	A	A	-0.6421
117	D	A	-1.2218
118	W	A	0.3259