Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSCAASGSISSITYLGWFRQAPGKEREGVAALVTYGGQTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAAYWGFWSAPLWNYDYEYWGQGTQVTV
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: -3.8178
• Maximal score value: 2.6427
• Average score: -0.7006
• Total score value: -86.8796

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	-1.3918
2	V	A	-0.9884
3	Q	A	-1.2307
4	L	A	0.0000
5	V	A	0.5050
6	E	A	0.0000
7	S	A	-0.7103
8	G	A	-1.2258
9	G	A	-1.1856
10	G	A	-0.8769
11	S	A	-0.5787
12	V	A	-0.5678
13	Q	A	-1.3570
14	A	A	-1.4413
15	G	A	-1.3111
16	G	A	-1.0380
17	S	A	-1.3253
18	L	A	-1.1827
19	R	A	-2.2361
20	L	A	0.0000
21	S	A	-0.4791
22	C	A	0.0000
23	A	A	-0.4250
24	A	A	0.0000
25	S	A	-0.7220
26	G	A	-0.7787
27	S	A	-0.8422
28	I	A	0.0000
29	S	A	-0.4671
30	S	A	0.0218
31	I	A	0.0000
32	T	A	0.5625
33	Y	A	0.0000
34	L	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.5592
39	Q	A	-2.3916
40	A	A	-2.1515
41	P	A	-1.5024
42	G	A	-2.0286
43	K	A	-3.4815
44	E	A	-3.8178
45	R	A	-3.2813
46	E	A	-2.1144
47	G	A	-1.0123
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	L	A	0.0000
52	V	A	0.0000
53	T	A	-0.0561
54	Y	A	0.6847
55	G	A	-0.4166
56	G	A	-0.7136
57	Q	A	-1.0278
58	T	A	-0.1439
59	Y	A	0.5551
60	Y	A	-0.2906
61	A	A	-1.1352
62	D	A	-2.3125
63	S	A	-1.8000
64	V	A	0.0000
65	K	A	-2.4560
66	G	A	-1.8549
67	R	A	-1.7083
68	F	A	0.0000
69	T	A	-0.8764
70	V	A	0.0000
71	S	A	-0.5021
72	L	A	-0.7129
73	D	A	-1.6628
74	N	A	-2.2131
75	A	A	-1.7026
76	K	A	-2.4276
77	N	A	-1.9414
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.5628
83	M	A	0.0000
84	N	A	-1.9200
85	S	A	-1.3913
86	L	A	0.0000
87	K	A	-2.2814
88	P	A	-1.7707
89	E	A	-2.2876
90	D	A	0.0000
91	T	A	-1.0757
92	A	A	0.0000
93	L	A	-0.7147
94	Y	A	0.0000
95	Y	A	-0.3895
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	Y	A	0.2379
101	W	A	1.3405
102	G	A	1.3049
103	F	A	2.6427
104	W	A	2.0860
105	S	A	0.9490
106	A	A	0.2903
107	P	A	-0.0734
108	L	A	0.0000
109	W	A	-0.5550
110	N	A	-1.6052
111	Y	A	-1.1791
112	D	A	-2.2968
113	Y	A	0.0000
114	E	A	-1.8733
115	Y	A	-1.0399
116	W	A	-0.1992
117	G	A	-0.2355
118	Q	A	-0.9651
119	G	A	0.0000
120	T	A	0.0000
121	Q	A	-1.3160
122	V	A	0.0000
123	T	A	-0.7830
124	V	A	-0.8882