Project name: query_structure

Chain sequence(s)	A: EVQLVESGGGSVQAGGSLRLSCAVSGYTYCSYDMSWYRQAPGKEREFVSGIDSDGSTSYADSVKGRFTISQDNAKNTLYLQMNSLKPEDTAMYYCAVDSVWRLCSLDPADFGYWGQGTQVTVSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:00)

• Minimal score value: -3.1538
• Maximal score value: 1.1891
• Average score: -0.7759
• Total score value: -96.2061

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	E	A	-1.9977
2	V	A	-1.1155
3	Q	A	-1.2921
4	L	A	0.0000
5	V	A	0.3280
6	E	A	-0.3578
7	S	A	-0.7213
8	G	A	-1.2651
9	G	A	-1.2329
10	G	A	-0.9301
11	S	A	-0.7072
12	V	A	-0.7547
13	Q	A	-1.5937
14	A	A	-1.6285
15	G	A	-1.3435
16	G	A	-1.0822
17	S	A	-1.2463
18	L	A	-1.1771
19	R	A	-2.1630
20	L	A	0.0000
21	S	A	-0.5565
22	C	A	0.0000
23	A	A	-0.3192
24	V	A	0.0000
25	S	A	-0.7392
26	G	A	-0.8651
27	Y	A	0.5598
28	T	A	0.5566
29	Y	A	1.0860
30	C	A	0.8318
31	S	A	-0.4885
32	Y	A	0.0000
33	D	A	-1.3452
34	M	A	0.0000
35	S	A	0.0000
36	W	A	0.0000
37	Y	A	0.1971
38	R	A	0.0000
39	Q	A	-1.8171
40	A	A	-1.8102
41	P	A	-1.2776
42	G	A	-1.7322
43	K	A	-2.8096
44	E	A	-3.1538
45	R	A	-2.3196
46	E	A	-1.0637
47	F	A	0.3043
48	V	A	0.0000
49	S	A	0.0000
50	G	A	0.0000
51	I	A	-1.1900
52	D	A	-2.1450
53	S	A	-1.6054
54	D	A	-2.5071
55	G	A	-1.9141
56	S	A	-1.3764
57	T	A	-0.7698
58	S	A	-0.5946
59	Y	A	-0.6964
60	A	A	-1.1174
61	D	A	-2.3539
62	S	A	-1.7112
63	V	A	0.0000
64	K	A	-2.6284
65	G	A	-1.7754
66	R	A	-1.4955
67	F	A	0.0000
68	T	A	-0.8813
69	I	A	0.0000
70	S	A	-0.5657
71	Q	A	-1.3324
72	D	A	-1.7203
73	N	A	-1.8301
74	A	A	-1.3263
75	K	A	-2.1478
76	N	A	-1.2428
77	T	A	-1.0647
78	L	A	0.0000
79	Y	A	-0.6145
80	L	A	0.0000
81	Q	A	-1.2679
82	M	A	0.0000
83	N	A	-1.4463
84	S	A	-1.2318
85	L	A	0.0000
86	K	A	-2.2841
87	P	A	-1.8220
88	E	A	-2.2892
89	D	A	0.0000
90	T	A	-1.1303
91	A	A	0.0000
92	M	A	-0.6924
93	Y	A	0.0000
94	Y	A	0.0000
95	C	A	0.0000
96	A	A	0.0000
97	V	A	0.0000
98	D	A	-0.8411
99	S	A	-0.3702
100	V	A	-0.0152
101	W	A	0.6509
102	R	A	-0.8080
103	L	A	1.1891
104	C	A	0.6285
105	S	A	-0.2633
106	L	A	-0.6330
107	D	A	-2.1057
108	P	A	-0.9933
109	A	A	-0.6351
110	D	A	-0.7560
111	F	A	0.9022
112	G	A	0.3821
113	Y	A	0.2577
114	W	A	0.4691
115	G	A	-0.2382
116	Q	A	-1.1175
117	G	A	-0.7326
118	T	A	-0.9392
119	Q	A	-1.5193
120	V	A	0.0000
121	T	A	-0.9467
122	V	A	0.0000
123	S	A	-1.1189
124	S	A	-0.8393