Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSATASGGSEYSYSTFSSGWFRQAPGQEREAVSAIASMGGLTYYADSVKGRFTSSRDNAKNTSTLQMNNLKPEDTAIYYVAAVRGYFMRLPSSHNFRYWGQGTQVTVSS
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -3.0862
• Maximal score value: 1.9725
• Average score: -0.7403
• Total score value: -94.7607

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	-1.5521
2	V	A	-1.3213
3	Q	A	-1.3121
4	L	A	0.0000
5	V	A	0.2560
6	E	A	-0.4304
7	S	A	-0.9095
8	G	A	-1.3295
9	G	A	-1.2396
10	G	A	-0.9549
11	S	A	-0.7235
12	V	A	-0.7497
13	Q	A	-1.6985
14	A	A	-1.7880
15	G	A	-1.7621
16	G	A	-1.3945
17	S	A	-1.4674
18	L	A	-1.2762
19	R	A	-2.1415
20	L	A	0.0000
21	S	A	-0.6679
22	A	A	0.0000
23	T	A	-0.5448
24	A	A	0.0000
25	S	A	-1.0054
26	G	A	-1.6081
27	G	A	-1.5216
28	S	A	-1.4104
29	E	A	-2.2605
30	Y	A	-1.5605
31	S	A	-1.4922
32	Y	A	0.0000
33	S	A	-0.8515
34	T	A	-0.6445
35	F	A	0.0000
36	S	A	0.0000
37	S	A	0.0000
38	G	A	0.0000
39	W	A	0.0000
40	F	A	0.0000
41	R	A	-1.0940
42	Q	A	-1.6432
43	A	A	-1.6684
44	P	A	-1.1896
45	G	A	-1.6660
46	Q	A	-2.7197
47	E	A	-3.0862
48	R	A	-2.2615
49	E	A	-1.6220
50	A	A	-0.3992
51	V	A	0.0000
52	S	A	0.0000
53	A	A	0.6034
54	I	A	0.0000
55	A	A	1.1274
56	S	A	0.7132
57	M	A	0.8444
58	G	A	-0.0692
59	G	A	0.3206
60	L	A	1.6262
61	T	A	0.7499
62	Y	A	0.7354
63	Y	A	-0.5194
64	A	A	0.0000
65	D	A	-2.3901
66	S	A	-1.7761
67	V	A	0.0000
68	K	A	-2.5404
69	G	A	-1.8796
70	R	A	-1.6681
71	F	A	0.0000
72	T	A	-0.7536
73	S	A	0.0000
74	S	A	-0.6987
75	R	A	-1.2914
76	D	A	-2.0624
77	N	A	-2.2358
78	A	A	-1.7172
79	K	A	-2.4393
80	N	A	-1.8074
81	T	A	-1.2632
82	S	A	0.0000
83	T	A	-0.8158
84	L	A	0.0000
85	Q	A	-1.0917
86	M	A	0.0000
87	N	A	-1.8425
88	N	A	-2.2486
89	L	A	0.0000
90	K	A	-2.3579
91	P	A	-1.7611
92	E	A	-2.2243
93	D	A	0.0000
94	T	A	-1.0745
95	A	A	0.0000
96	I	A	-0.4194
97	Y	A	0.0000
98	Y	A	-0.2846
99	V	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	V	A	0.0000
103	R	A	-1.8752
104	G	A	0.2632
105	Y	A	1.9725
106	F	A	1.9630
107	M	A	1.7038
108	R	A	-0.1319
109	L	A	1.1300
110	P	A	0.3770
111	S	A	-0.5866
112	S	A	-0.9162
113	H	A	-1.4730
114	N	A	-1.1330
115	F	A	-1.1449
116	R	A	-2.0754
117	Y	A	-0.9979
118	W	A	-0.3136
119	G	A	-0.3937
120	Q	A	-1.0624
121	G	A	-0.6994
122	T	A	0.0000
123	Q	A	-1.3023
124	V	A	0.0000
125	T	A	-0.9282
126	V	A	0.0000
127	S	A	-1.1052
128	S	A	-0.8075