Project name: query_structure

Chain sequence(s)	A: QVQLVESGGALVQPGGSLRLSCAASGRGADTLSLRWYRQAPGKEREWVCGISWLMTTYSYEDSVKGRFTCSRDDARNTVYLQLNSLKPEDTAVYYCASRPRFLEEQLQVSSYWGQGTQVTVSS
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                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -3.4784
• Maximal score value: 2.4132
• Average score: -0.7958
• Total score value: -97.8829

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	-2.0109
2	V	A	0.0000
3	Q	A	-1.1623
4	L	A	0.0000
5	V	A	0.8110
6	E	A	0.0000
7	S	A	-0.6038
8	G	A	-1.1417
9	G	A	-0.6828
10	A	A	0.1507
11	L	A	1.1757
12	V	A	0.0427
13	Q	A	-1.3131
14	P	A	-1.5816
15	G	A	-1.3995
16	G	A	-0.9448
17	S	A	-1.2957
18	L	A	-1.0237
19	R	A	-2.2231
20	L	A	0.0000
21	S	A	-0.4381
22	C	A	0.0000
23	A	A	-0.1970
24	A	A	0.0000
25	S	A	-1.6398
26	G	A	-2.3486
27	R	A	-2.8733
28	G	A	-2.1463
29	A	A	0.0000
30	D	A	-3.0835
31	T	A	-1.5465
32	L	A	0.0000
33	S	A	-0.5791
34	L	A	0.0000
35	R	A	-1.0695
36	W	A	0.0000
37	Y	A	-0.5792
38	R	A	-1.1723
39	Q	A	-1.9928
40	A	A	-2.0272
41	P	A	-1.5954
42	G	A	-1.9443
43	K	A	-3.3629
44	E	A	-3.4784
45	R	A	-2.5561
46	E	A	-1.9156
47	W	A	-0.4973
48	V	A	0.0000
49	C	A	0.0000
50	G	A	-0.1070
51	I	A	0.0000
52	S	A	1.1412
53	W	A	1.7752
54	L	A	2.4132
55	M	A	1.8976
56	T	A	1.1344
57	T	A	0.8807
58	Y	A	0.7267
59	S	A	-0.1857
60	Y	A	-0.8642
61	E	A	-1.5431
62	D	A	-2.6271
63	S	A	-1.9060
64	V	A	0.0000
65	K	A	-2.7178
66	G	A	-1.7631
67	R	A	-1.3385
68	F	A	0.0000
69	T	A	-0.8473
70	C	A	0.0000
71	S	A	-0.3449
72	R	A	-0.9153
73	D	A	-1.9368
74	D	A	-3.0391
75	A	A	-2.1542
76	R	A	-2.8798
77	N	A	-2.4274
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.7589
81	L	A	0.0000
82	Q	A	-1.4973
83	L	A	0.0000
84	N	A	-1.3770
85	S	A	-1.2083
86	L	A	0.0000
87	K	A	-2.3046
88	P	A	-1.8856
89	E	A	-2.3630
90	D	A	0.0000
91	T	A	-0.8908
92	A	A	0.0000
93	V	A	-0.4399
94	Y	A	0.0000
95	Y	A	-0.3133
96	C	A	0.0000
97	A	A	0.0000
98	S	A	0.0000
99	R	A	-0.7669
100	P	A	-0.8562
101	R	A	-1.3063
102	F	A	0.6080
103	L	A	-0.6637
104	E	A	-2.6017
105	E	A	-2.8267
106	Q	A	-2.2940
107	L	A	-0.4786
108	Q	A	-1.2247
109	V	A	-0.4427
110	S	A	-0.0990
111	S	A	-0.1500
112	Y	A	0.1737
113	W	A	0.3337
114	G	A	0.0129
115	Q	A	-0.8945
116	G	A	0.0000
117	T	A	-0.6900
118	Q	A	-1.0614
119	V	A	0.0000
120	T	A	-0.1784
121	V	A	0.0000
122	S	A	-0.6626
123	S	A	-0.9007