Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSSAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYSAAHSWVTDYYPFEHYYWGQGTQVTVSSLE
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                                          (00:01:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)

• Minimal score value: -3.0564
• Maximal score value: 1.8517
• Average score: -0.5754
• Total score value: -71.349

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	-1.2558
2	V	A	-0.4438
3	Q	A	-1.6430
4	L	A	0.0000
5	Q	A	-1.7293
6	E	A	0.0000
7	S	A	-1.0920
8	G	A	-0.9862
9	G	A	-0.8023
10	G	A	-0.0558
11	L	A	1.0659
12	V	A	0.2454
13	Q	A	-1.1835
14	A	A	-1.3393
15	G	A	-1.2498
16	G	A	-0.8176
17	S	A	-1.2309
18	L	A	-1.0805
19	R	A	-2.2394
20	L	A	0.0000
21	S	A	-0.8989
22	S	A	0.0000
23	A	A	-1.1301
24	A	A	-0.6339
25	S	A	-0.6712
26	G	A	0.1458
27	Y	A	0.5957
28	I	A	0.0000
29	S	A	-1.2742
30	D	A	-1.5268
31	A	A	0.0000
32	Y	A	0.0012
33	Y	A	0.2093
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.1223
38	R	A	0.0000
39	Q	A	-1.7394
40	A	A	-1.7684
41	P	A	-1.2368
42	G	A	-1.6681
43	K	A	-2.6679
44	E	A	-3.0564
45	R	A	-2.2203
46	E	A	-1.0145
47	F	A	0.3256
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.4400
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.7726
54	G	A	-1.1944
55	T	A	-1.1123
56	N	A	-1.3138
57	T	A	-0.0839
58	Y	A	0.8291
59	Y	A	0.0080
60	A	A	-0.8059
61	D	A	-2.2028
62	S	A	-1.7232
63	V	A	0.0000
64	K	A	-2.4240
65	G	A	-1.7451
66	R	A	-1.4615
67	F	A	0.0000
68	T	A	-0.7887
69	I	A	0.0000
70	S	A	-0.6319
71	R	A	-1.1260
72	D	A	-1.6748
73	N	A	-2.0984
74	A	A	-1.3183
75	K	A	-2.0773
76	N	A	-1.4922
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.6423
80	L	A	0.0000
81	Q	A	-1.5452
82	M	A	0.0000
83	N	A	-1.3373
84	S	A	-1.0864
85	L	A	0.0000
86	K	A	-2.0463
87	P	A	-1.5657
88	E	A	-2.2176
89	D	A	0.0000
90	T	A	-0.8703
91	A	A	0.0000
92	V	A	-0.6135
93	Y	A	0.0000
94	Y	A	-0.3591
95	S	A	0.0000
96	A	A	0.0000
97	A	A	0.0000
98	H	A	0.2915
99	S	A	0.2184
100	W	A	0.6206
101	V	A	0.5330
102	T	A	0.3674
103	D	A	-0.3815
104	Y	A	1.3312
105	Y	A	1.8517
106	P	A	0.9754
107	F	A	1.4425
108	E	A	-0.4359
109	H	A	0.1483
110	Y	A	1.1833
111	Y	A	0.4262
112	W	A	0.4019
113	G	A	-0.6689
114	Q	A	-1.4569
115	G	A	-0.9930
116	T	A	0.0000
117	Q	A	-1.0676
118	V	A	0.0000
119	T	A	-0.2448
120	V	A	0.0000
121	S	A	-0.4052
122	S	A	-0.4166
123	L	A	0.3144
124	E	A	-1.3858