Project name: query_structure

Chain sequence(s)	A: EVQLQASGGGLVQGGDSLRLSCAASWFRQAPGKEREFVSRFTISRDNAKNAVYLQMNSLKPEDTAVYYCAVGQGTQVTVSSGRTLGDYGVAVISRSTIITDYANSVKGIANPVYATSRNSDDYGHW
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -4.1396
• Maximal score value: 2.0577
• Average score: -0.7882
• Total score value: -99.3121

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	-1.2813
2	V	A	0.1539
3	Q	A	-1.1749
4	L	A	-0.5847
5	Q	A	-1.3765
6	A	A	0.0000
7	S	A	-1.1338
8	G	A	-1.0233
9	G	A	-0.5939
10	G	A	0.3096
11	L	A	1.2104
12	V	A	-0.0546
13	Q	A	-1.7481
14	G	A	-1.8137
15	G	A	-1.7705
16	D	A	-2.0786
17	S	A	-1.9631
18	L	A	0.0000
19	R	A	-2.3022
20	L	A	0.0000
21	S	A	-1.0207
22	C	A	0.0000
23	A	A	-0.9017
24	A	A	-0.2943
25	S	A	0.5498
26	W	A	0.0000
27	F	A	-0.2836
28	R	A	-1.5554
29	Q	A	-2.5288
30	A	A	-2.3547
31	P	A	-1.4666
32	G	A	-1.9258
33	K	A	-3.7727
34	E	A	-4.1396
35	R	A	-3.8594
36	E	A	-2.6701
37	F	A	0.0667
38	V	A	0.0000
39	S	A	-0.6347
40	R	A	-1.4695
41	F	A	-0.8059
42	T	A	-0.8051
43	I	A	-0.5696
44	S	A	-1.1154
45	R	A	-2.8948
46	D	A	-2.9588
47	N	A	-3.0860
48	A	A	-2.2040
49	K	A	-3.1441
50	N	A	-3.0686
51	A	A	-2.1952
52	V	A	0.0000
53	Y	A	0.0000
54	L	A	0.0000
55	Q	A	-1.2379
56	M	A	0.0000
57	N	A	-2.2642
58	S	A	-1.9616
59	L	A	0.0000
60	K	A	-2.5552
61	P	A	-1.6661
62	E	A	-2.4661
63	D	A	-1.7350
64	T	A	-1.1628
65	A	A	0.0000
66	V	A	-0.1913
67	Y	A	0.0000
68	Y	A	0.0302
69	C	A	0.0000
70	A	A	0.0337
71	V	A	0.4158
72	G	A	-0.3837
73	Q	A	-0.5122
74	G	A	0.0207
75	T	A	0.0000
76	Q	A	0.0000
77	V	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	S	A	0.2302
81	S	A	-0.7119
82	G	A	-0.7400
83	R	A	-2.0393
84	T	A	-0.8434
85	L	A	0.3328
86	G	A	-0.6679
87	D	A	-1.7752
88	Y	A	-0.6568
89	G	A	0.0000
90	V	A	0.0000
91	A	A	0.4907
92	V	A	0.0000
93	I	A	0.8200
94	S	A	-0.4428
95	R	A	-0.5593
96	S	A	-0.2794
97	T	A	0.8251
98	I	A	1.6499
99	I	A	0.9733
100	T	A	-0.2279
101	D	A	-0.8601
102	Y	A	0.2434
103	A	A	-0.1280
104	N	A	-1.1022
105	S	A	-0.5866
106	V	A	0.7476
107	K	A	-0.9214
108	G	A	0.0148
109	I	A	1.4094
110	A	A	0.2998
111	N	A	0.0154
112	P	A	0.9723
113	V	A	2.0577
114	Y	A	1.9494
115	A	A	0.8695
116	T	A	-0.4790
117	S	A	-1.5098
118	R	A	-2.8890
119	N	A	-3.0652
120	S	A	-2.6353
121	D	A	-3.1198
122	D	A	-2.3648
123	Y	A	-0.3891
124	G	A	-0.4086
125	H	A	-0.3802
126	W	A	0.5392