Project name: query_structure

Chain sequence(s)	A: EVQLVVVESSGGGLVVVQPGGSLLRLSCCAASGSISSVDVVMSWYRQQAPGKQRELLVAFITDRGRTNYKVVSVKGRFTISRDNSKNMMVVYLQMMNSSLKPEDTADDYLCCRAESRTSWSSPSSPLDVWGRGTQVTVSS
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -3.0272
• Maximal score value: 1.0218
• Average score: -0.9237
• Total score value: -112.6856

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	-2.1548
2	V	A	-1.4170
3	Q	A	-1.2747
4	L	A	0.0000
5	V	A	0.0128
6	E	A	0.0000
7	S	A	-0.8889
8	G	A	-1.2209
9	G	A	-1.0248
10	G	A	-0.0556
11	L	A	1.0218
12	V	A	0.0285
13	Q	A	-1.3034
14	P	A	-1.5401
15	G	A	-1.3575
16	G	A	-0.8631
17	S	A	-1.0323
18	L	A	-0.8965
19	R	A	-2.1700
20	L	A	0.0000
21	S	A	-0.5550
22	C	A	0.0000
23	A	A	-0.3188
24	A	A	-0.6513
25	S	A	-0.9606
26	G	A	-1.1255
27	S	A	-0.9327
28	I	A	0.0000
29	S	A	-1.2522
30	S	A	-0.9998
31	V	A	0.0000
32	D	A	-1.5760
33	V	A	-1.1967
34	M	A	0.0000
35	S	A	0.0000
36	W	A	0.0000
37	Y	A	-0.2521
38	R	A	0.0000
39	Q	A	-2.2286
40	A	A	-2.0927
41	P	A	-1.5450
42	G	A	-1.8683
43	K	A	-3.0272
44	Q	A	-2.8846
45	R	A	-2.5173
46	E	A	-1.3446
47	L	A	-0.0415
48	V	A	0.0000
49	A	A	0.0000
50	F	A	0.1002
51	I	A	0.0000
52	T	A	-1.8400
53	D	A	-2.2968
54	R	A	-2.9454
55	G	A	-2.3146
56	R	A	-2.6148
57	T	A	-1.2705
58	N	A	-0.6921
59	Y	A	-0.1966
60	K	A	0.0971
61	V	A	0.8589
62	S	A	-0.1951
63	V	A	0.0000
64	K	A	-1.5966
65	G	A	-1.2795
66	R	A	-1.3209
67	F	A	0.0000
68	T	A	-0.8937
69	I	A	0.0000
70	S	A	-0.6920
71	R	A	-1.2252
72	D	A	-1.6690
73	N	A	-1.8794
74	S	A	-1.6718
75	K	A	-2.3457
76	N	A	-1.7133
77	M	A	-1.0287
78	V	A	0.0000
79	Y	A	0.0000
80	L	A	0.0000
81	Q	A	-1.3328
82	M	A	0.0000
82A	N	A	-1.3567
82B	S	A	-1.2043
82C	L	A	0.0000
83	K	A	-2.2385
84	P	A	-1.9304
85	E	A	-2.3422
86	D	A	0.0000
87	T	A	-1.1195
88	A	A	0.0000
89	D	A	-1.8805
90	Y	A	0.0000
91	L	A	0.0000
92	C	A	0.0000
93	R	A	-0.6523
94	A	A	0.0000
95	E	A	-1.6784
96	S	A	-1.9211
97	R	A	-2.5056
98	T	A	-1.0912
99	S	A	-0.2940
100	W	A	0.8904
100A	S	A	0.1790
100B	S	A	-0.4445
100C	P	A	-0.4680
100D	S	A	-0.8553
100E	P	A	-1.5295
100F	L	A	-1.8621
101	D	A	-2.3044
102	V	A	-1.3587
103	W	A	-0.6495
104	G	A	-0.8042
105	R	A	-1.7795
106	G	A	-1.4608
107	T	A	-1.3862
108	Q	A	-1.5612
109	V	A	0.0000
110	T	A	-0.4356
111	V	A	0.0000
112	S	A	-0.7240
113	S	A	-0.4515