Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVHDINSYLSLEGFWVDHVYWGQGTQVTVSSLE
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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)

• Minimal score value: -3.1728
• Maximal score value: 2.5949
• Average score: -0.5676
• Total score value: -72.651

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	-1.2780
2	V	A	-0.4085
3	Q	A	-1.6074
4	L	A	0.0000
5	Q	A	-1.6676
6	E	A	0.0000
7	S	A	-1.1129
8	G	A	-1.0320
9	G	A	-0.8232
10	G	A	-0.0669
11	L	A	1.0889
12	V	A	0.2869
13	Q	A	-0.8002
14	A	A	-1.0949
15	G	A	-1.0489
16	G	A	-0.8127
17	S	A	-1.1680
18	L	A	-1.0072
19	R	A	-2.1342
20	L	A	0.0000
21	S	A	-0.8678
22	C	A	0.0000
23	A	A	-1.1933
24	A	A	-0.7228
25	S	A	-0.7237
26	G	A	-0.1361
27	Y	A	0.4819
28	I	A	0.0000
29	S	A	-1.2165
30	D	A	-1.8559
31	A	A	0.0000
32	Y	A	-0.5528
33	Y	A	0.0699
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.0371
38	R	A	0.0000
39	Q	A	-1.8084
40	A	A	-1.8332
41	P	A	-1.2932
42	G	A	-1.7589
43	K	A	-2.8451
44	E	A	-3.1728
45	R	A	-2.3223
46	E	A	-1.1248
47	F	A	0.1927
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.3868
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.5442
54	G	A	-1.1088
55	T	A	-1.0578
56	N	A	-1.2690
57	T	A	-0.0833
58	Y	A	0.7674
59	Y	A	-0.1086
60	A	A	-0.8867
61	D	A	-2.2357
62	S	A	-1.7510
63	V	A	0.0000
64	K	A	-2.4544
65	G	A	-1.7770
66	R	A	-1.4816
67	F	A	0.0000
68	T	A	-0.7160
69	I	A	0.0000
70	S	A	-0.6470
71	R	A	-1.2197
72	D	A	-1.6839
73	N	A	-1.8467
74	A	A	-1.2684
75	K	A	-2.1220
76	N	A	-1.5961
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.6694
80	L	A	0.0000
81	Q	A	-1.2377
82	M	A	0.0000
83	N	A	-1.3798
84	S	A	-1.1731
85	L	A	0.0000
86	K	A	-2.2355
87	P	A	-1.6153
88	E	A	-2.3075
89	D	A	0.0000
90	T	A	-0.8989
91	A	A	0.0000
92	V	A	-0.5912
93	Y	A	0.0000
94	Y	A	-0.3778
95	C	A	0.0000
96	A	A	0.0000
97	V	A	0.0000
98	H	A	-0.5063
99	D	A	-1.0899
100	I	A	-0.7559
101	N	A	-0.5751
102	S	A	0.7382
103	Y	A	2.3426
104	L	A	2.5949
105	S	A	1.7920
106	L	A	1.4503
107	E	A	-0.1946
108	G	A	0.9112
109	F	A	2.3389
110	W	A	1.8456
111	V	A	0.8789
112	D	A	-1.3561
113	H	A	-1.1222
114	V	A	0.2194
115	Y	A	0.1523
116	W	A	0.1746
117	G	A	-0.7899
118	Q	A	-1.5671
119	G	A	-0.9894
120	T	A	0.0000
121	Q	A	-1.1818
122	V	A	0.0000
123	T	A	-0.2411
124	V	A	0.0000
125	S	A	-0.4923
126	S	A	-0.7056
127	L	A	0.2569
128	E	A	-1.2568