Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSATASGGSEYSYSTFSLGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFTISRDNAKNTVTLQMNNLKPEDTAIYYVAAVRGYFMRLPSSHNFRYWGQGTQVTVSS
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.                                          (00:01:05)

• Minimal score value: -3.3385
• Maximal score value: 1.7737
• Average score: -0.8293
• Total score value: -106.1466

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	-1.6545
2	V	A	0.0000
3	Q	A	-1.5463
4	L	A	0.0000
5	V	A	-0.0276
6	E	A	-0.5915
7	S	A	-0.9635
8	G	A	-1.3250
9	G	A	-1.2337
10	G	A	-0.9596
11	S	A	-0.7222
12	V	A	-0.7914
13	Q	A	-1.7623
14	A	A	-1.9560
15	G	A	-1.8934
16	G	A	-1.4859
17	S	A	-1.5436
18	L	A	-1.2931
19	R	A	-2.1615
20	L	A	0.0000
21	S	A	-0.7025
22	A	A	0.0000
23	T	A	-0.6904
24	A	A	0.0000
25	S	A	-0.9037
26	G	A	-1.6630
27	G	A	-1.5373
28	S	A	-1.3679
29	E	A	-2.0381
30	Y	A	-1.4599
31	S	A	-1.1040
32	Y	A	0.0000
33	S	A	-0.1156
34	T	A	-0.3875
35	F	A	0.0000
36	S	A	0.0000
37	L	A	0.0000
38	G	A	0.0000
39	W	A	0.0000
40	F	A	0.0000
41	R	A	-1.2761
42	Q	A	-1.9206
43	A	A	-1.7821
44	P	A	-1.2384
45	G	A	-1.7280
46	Q	A	-2.8441
47	E	A	-3.3385
48	R	A	-2.7308
49	E	A	-1.9099
50	A	A	-0.7594
51	V	A	0.0000
52	A	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	0.9372
58	G	A	0.3479
59	G	A	0.5948
60	L	A	1.7737
61	T	A	0.7631
62	Y	A	0.3612
63	Y	A	-0.7311
64	A	A	0.0000
65	D	A	-2.4016
66	S	A	-1.7802
67	V	A	0.0000
68	K	A	-2.5525
69	G	A	-1.9035
70	R	A	-1.7795
71	F	A	0.0000
72	T	A	-0.8065
73	I	A	0.0000
74	S	A	-0.5764
75	R	A	-0.9931
76	D	A	-1.6293
77	N	A	-1.4891
78	A	A	-1.3838
79	K	A	-2.2336
80	N	A	-1.5130
81	T	A	-1.1310
82	V	A	0.0000
83	T	A	-0.8096
84	L	A	0.0000
85	Q	A	-1.1562
86	M	A	0.0000
87	N	A	-2.0572
88	N	A	-2.4192
89	L	A	0.0000
90	K	A	-2.8007
91	P	A	-1.9779
92	E	A	-2.3766
93	D	A	0.0000
94	T	A	-1.1583
95	A	A	0.0000
96	I	A	-0.4621
97	Y	A	0.0000
98	Y	A	-0.4263
99	V	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	V	A	0.0000
103	R	A	-1.8116
104	G	A	0.1707
105	Y	A	1.6677
106	F	A	1.3815
107	M	A	0.4942
108	R	A	-1.2912
109	L	A	-0.8107
110	P	A	-0.8927
111	S	A	-1.2924
112	S	A	-1.6044
113	H	A	-1.8394
114	N	A	-2.1595
115	F	A	0.0000
116	R	A	-2.3964
117	Y	A	-1.2946
118	W	A	-0.4841
119	G	A	-0.5521
120	Q	A	-1.1532
121	G	A	-0.7620
122	T	A	0.0000
123	Q	A	-1.3003
124	V	A	0.0000
125	T	A	-0.9726
126	V	A	0.0000
127	S	A	-1.1806
128	S	A	-0.8836