Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGYISDAYYMGWYRQAPGKEREFVATITHGTNTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAVARQLWDYYYDTHYYWGQGTQVTVSSLE
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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:44)

• Minimal score value: -3.2649
• Maximal score value: 1.8319
• Average score: -0.668
• Total score value: -82.837

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	-1.2960
2	V	A	-0.5701
3	Q	A	-1.5348
4	L	A	0.0000
5	Q	A	-1.6838
6	E	A	0.0000
7	S	A	-1.1026
8	G	A	-1.0242
9	G	A	-0.8169
10	G	A	-0.0604
11	L	A	1.0818
12	V	A	0.2074
13	Q	A	-0.9582
14	A	A	-1.2805
15	G	A	-1.1736
16	G	A	-0.9025
17	S	A	-1.3078
18	L	A	-1.0022
19	R	A	-2.2713
20	L	A	0.0000
21	S	A	-0.9103
22	C	A	0.0000
23	A	A	-1.1097
24	A	A	-0.6621
25	S	A	-0.6875
26	G	A	0.0625
27	Y	A	0.6143
28	I	A	0.0000
29	S	A	-0.9834
30	D	A	-0.9539
31	A	A	0.0000
32	Y	A	-0.3220
33	Y	A	-0.1907
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.0019
38	R	A	0.0000
39	Q	A	-1.8501
40	A	A	-1.8774
41	P	A	-1.3364
42	G	A	-1.8325
43	K	A	-2.9982
44	E	A	-3.2649
45	R	A	-2.4038
46	E	A	-1.1667
47	F	A	0.1849
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.3385
51	I	A	0.0000
52	T	A	0.0000
53	H	A	-1.4993
54	G	A	-1.0951
55	T	A	-1.0150
56	N	A	-1.3031
57	T	A	-0.1383
58	Y	A	0.7064
59	Y	A	-0.1439
60	A	A	-0.9050
61	D	A	-2.2411
62	S	A	-1.7554
63	V	A	0.0000
64	K	A	-2.4670
65	G	A	-1.7753
66	R	A	-1.5826
67	F	A	0.0000
68	T	A	-0.8400
69	I	A	0.0000
70	S	A	-0.6984
71	R	A	-1.2441
72	D	A	-1.8303
73	N	A	-2.0957
74	A	A	-1.4397
75	K	A	-2.2039
76	N	A	-1.4342
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.7474
80	L	A	0.0000
81	Q	A	-1.5864
82	M	A	0.0000
83	N	A	-1.4619
84	S	A	-1.2763
85	L	A	0.0000
86	K	A	-2.5490
87	P	A	-1.8468
88	E	A	-2.4676
89	D	A	0.0000
90	T	A	-0.9850
91	A	A	0.0000
92	V	A	-0.6199
93	Y	A	0.0000
94	Y	A	-0.4098
95	C	A	0.0000
96	A	A	0.0000
97	V	A	0.0000
98	A	A	0.0000
99	R	A	-0.6604
100	Q	A	-0.6228
101	L	A	0.6050
102	W	A	1.1073
103	D	A	0.0433
104	Y	A	1.6157
105	Y	A	1.8319
106	Y	A	0.9575
107	D	A	-0.9322
108	T	A	-0.8418
109	H	A	-1.0493
110	Y	A	0.0032
111	Y	A	0.2033
112	W	A	0.1994
113	G	A	-0.6965
114	Q	A	-1.5166
115	G	A	-1.0050
116	T	A	0.0000
117	Q	A	-1.1857
118	V	A	0.0000
119	T	A	-0.3082
120	V	A	0.0000
121	S	A	-0.5960
122	S	A	-0.8037
123	L	A	0.0795
124	E	A	-1.2668