Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSCAASGSISSITYLGWFRQAPGKEREGVAALTTNHGGTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAASWGVAHPLYWVWYGYWGQGTQVTV
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -3.6387
• Maximal score value: 2.409
• Average score: -0.5656
• Total score value: -69.5627

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	-1.1245
2	V	A	-0.3170
3	Q	A	-0.5900
4	L	A	0.0000
5	V	A	0.3948
6	E	A	0.0000
7	S	A	-0.7633
8	G	A	-1.1737
9	G	A	-1.1715
10	G	A	-0.8566
11	S	A	-0.5681
12	V	A	-0.5353
13	Q	A	-1.3153
14	A	A	-1.3515
15	G	A	-1.2508
16	G	A	-1.0083
17	S	A	-1.2939
18	L	A	-1.1399
19	R	A	-2.1238
20	L	A	0.0000
21	S	A	-0.4558
22	C	A	0.0000
23	A	A	-0.3246
24	A	A	-0.3682
25	S	A	-0.5100
26	G	A	-0.6366
27	S	A	-0.8145
28	I	A	0.0000
29	S	A	-0.9036
30	S	A	-0.3454
31	I	A	0.0000
32	T	A	-0.1553
33	Y	A	0.2377
34	L	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.4321
39	Q	A	-2.1526
40	A	A	-2.0305
41	P	A	-1.4398
42	G	A	-1.9733
43	K	A	-3.3714
44	E	A	-3.6387
45	R	A	-2.9694
46	E	A	-1.8082
47	G	A	-0.6760
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	L	A	0.0000
52	T	A	-0.7337
53	T	A	-1.1869
54	N	A	-1.9384
55	H	A	-1.8735
56	G	A	-1.2822
57	G	A	-0.7786
58	T	A	-0.1152
59	Y	A	-0.0979
60	Y	A	-0.7147
61	A	A	0.0000
62	D	A	-2.3895
63	S	A	-1.7738
64	V	A	0.0000
65	K	A	-2.5504
66	G	A	-1.8438
67	R	A	-1.6623
68	F	A	0.0000
69	T	A	-0.9544
70	V	A	0.0000
71	S	A	-0.2716
72	L	A	-0.5192
73	D	A	-1.5405
74	N	A	-2.1342
75	A	A	-1.6344
76	K	A	-2.3738
77	N	A	-1.8484
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.4847
81	L	A	0.0000
82	Q	A	-1.4899
83	M	A	0.0000
84	N	A	-1.9013
85	S	A	-1.3391
86	L	A	0.0000
87	K	A	-2.0213
88	P	A	-1.6426
89	E	A	-2.1965
90	D	A	0.0000
91	T	A	-1.0041
92	A	A	0.0000
93	L	A	-0.6789
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	S	A	0.6208
101	W	A	1.6844
102	G	A	1.8618
103	V	A	2.3179
104	A	A	1.5792
105	H	A	0.8211
106	P	A	0.0000
107	L	A	0.0000
108	Y	A	1.9207
109	W	A	2.4090
110	V	A	2.1728
111	W	A	2.1506
112	Y	A	1.1049
113	G	A	0.4640
114	Y	A	0.4678
115	W	A	0.4737
116	G	A	-0.1019
117	Q	A	-0.9840
118	G	A	-0.7206
119	T	A	0.0000
120	Q	A	-1.3278
121	V	A	0.0000
122	T	A	-0.7419
123	V	A	-0.8024