Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSCTASGGSEYSYSTFSCGWFRQAPGQEREAVCAIASMGGLTYYADSVKGRFTCSRDNAKNTCTLQMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTQVTVSS
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                                          (00:01:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -3.2388
• Maximal score value: 1.964
• Average score: -0.7927
• Total score value: -101.4676

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	-1.4563
2	V	A	-0.9948
3	Q	A	-1.0177
4	L	A	0.0000
5	V	A	0.2266
6	E	A	-0.4757
7	S	A	-0.9387
8	G	A	-1.2815
9	G	A	-1.2393
10	G	A	-0.9526
11	S	A	-0.7203
12	V	A	-0.7675
13	Q	A	-1.7216
14	A	A	-1.8432
15	G	A	-1.7947
16	G	A	-1.4070
17	S	A	-1.4605
18	L	A	-1.2360
19	R	A	-2.1101
20	L	A	0.0000
21	S	A	-0.6834
22	C	A	0.0000
23	T	A	-0.4730
24	A	A	0.0000
25	S	A	-0.7634
26	G	A	-1.3528
27	G	A	-1.5009
28	S	A	-1.3493
29	E	A	-2.0044
30	Y	A	-1.3911
31	S	A	-1.3571
32	Y	A	0.0000
33	S	A	-0.8291
34	T	A	-0.5845
35	F	A	0.0000
36	S	A	0.0000
37	C	A	0.0000
38	G	A	0.0000
39	W	A	0.0000
40	F	A	0.0000
41	R	A	-1.2513
42	Q	A	-1.8911
43	A	A	-1.8072
44	P	A	-1.2563
45	G	A	-1.7155
46	Q	A	-2.8086
47	E	A	-3.2388
48	R	A	-2.5409
49	E	A	-1.7601
50	A	A	-0.6753
51	V	A	0.0000
52	C	A	0.0000
53	A	A	0.0000
54	I	A	0.0000
55	A	A	0.0000
56	S	A	0.0000
57	M	A	0.8316
58	G	A	0.0124
59	G	A	-0.0043
60	L	A	0.6567
61	T	A	0.3992
62	Y	A	0.2571
63	Y	A	-0.4434
64	A	A	-1.2702
65	D	A	-2.3611
66	S	A	-1.7467
67	V	A	0.0000
68	K	A	-2.5255
69	G	A	-1.8617
70	R	A	-1.6818
71	F	A	0.0000
72	T	A	-0.7348
73	C	A	0.0000
74	S	A	-0.5673
75	R	A	-1.2016
76	D	A	-1.8043
77	N	A	-1.8629
78	A	A	-1.5524
79	K	A	-2.3173
80	N	A	-1.6354
81	T	A	-1.1634
82	C	A	0.0000
83	T	A	-0.7671
84	L	A	0.0000
85	Q	A	-1.0600
86	M	A	0.0000
87	N	A	-1.8150
88	N	A	-2.2732
89	L	A	0.0000
90	K	A	-2.5327
91	P	A	-1.8295
92	E	A	-2.2776
93	D	A	0.0000
94	T	A	-1.1416
95	A	A	0.0000
96	I	A	-0.5870
97	Y	A	0.0000
98	Y	A	-0.3758
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	V	A	0.0000
103	R	A	-1.7674
104	G	A	0.0787
105	Y	A	1.6301
106	F	A	1.9640
107	M	A	0.0000
108	R	A	-0.3539
109	L	A	1.0228
110	P	A	0.0000
111	S	A	-0.5623
112	S	A	-1.0686
113	H	A	-1.5924
114	N	A	-1.1422
115	F	A	0.0000
116	R	A	-2.2000
117	Y	A	-0.9693
118	W	A	-0.3103
119	G	A	-0.4051
120	Q	A	-1.0688
121	G	A	-0.7860
122	T	A	0.0000
123	Q	A	-1.3554
124	V	A	0.0000
125	T	A	-0.9619
126	V	A	0.0000
127	S	A	-1.1244
128	S	A	-0.8336