Project name: query_structure

Chain sequence(s)	A: MGEVQLVESGGGSVQAGGSLRLSSAASGIPIQDSVVLWFRQAPGKEREGVLAAKYRSPTYYADSVKGRFTISQDNAKNTVYLQMNSLKPEDTAIYYSAAIRAVIGRHIRPHIYWGQGTQVTVGGGS
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                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:55)

• Minimal score value: -3.7318
• Maximal score value: 1.4952
• Average score: -0.8185
• Total score value: -103.1366

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	M	A	0.4556
2	G	A	-0.9539
3	E	A	-1.9348
4	V	A	-0.8604
5	Q	A	-1.0265
6	L	A	0.0000
7	V	A	0.9406
8	E	A	0.0000
9	S	A	-0.6150
10	G	A	-1.2218
11	G	A	-1.1569
12	G	A	-0.9200
13	S	A	-0.6974
14	V	A	-0.8982
15	Q	A	-1.9301
16	A	A	-2.1013
17	G	A	-1.5864
18	G	A	-1.1923
19	S	A	-1.2657
20	L	A	-1.1241
21	R	A	-2.0476
22	L	A	0.0000
23	S	A	-0.4299
24	S	A	0.0000
25	A	A	-0.2160
26	A	A	-0.2603
27	S	A	-0.5710
28	G	A	-0.7487
29	I	A	0.0000
30	P	A	-1.0868
31	I	A	0.0000
32	Q	A	-1.9334
33	D	A	-1.0129
34	S	A	0.0000
35	V	A	-0.4369
36	V	A	0.0000
37	L	A	0.5958
38	W	A	0.0000
39	F	A	-0.4816
40	R	A	-1.3645
41	Q	A	-2.1545
42	A	A	-2.0477
43	P	A	-1.4378
44	G	A	-1.9814
45	K	A	-3.4228
46	E	A	-3.7318
47	R	A	-3.1331
48	E	A	-2.1789
49	G	A	-0.7560
50	V	A	0.0000
51	L	A	0.0000
52	A	A	0.0000
53	A	A	0.0000
54	K	A	-1.1590
55	Y	A	-1.2196
56	R	A	-2.1859
57	S	A	-1.1983
58	P	A	-0.5386
59	T	A	0.1157
60	Y	A	0.7865
61	Y	A	-0.2372
62	A	A	0.0000
63	D	A	-2.2799
64	S	A	-1.7843
65	V	A	0.0000
66	K	A	-2.4220
67	G	A	-1.7911
68	R	A	-1.5737
69	F	A	0.0000
70	T	A	-0.7336
71	I	A	-0.1051
72	S	A	-0.7363
73	Q	A	-1.8757
74	D	A	-2.3252
75	N	A	-2.7267
76	A	A	-1.8886
77	K	A	-2.5216
78	N	A	-2.0918
79	T	A	0.0000
80	V	A	0.0000
81	Y	A	-0.7526
82	L	A	0.0000
83	Q	A	-1.1751
84	M	A	0.0000
85	N	A	-1.5638
86	S	A	-1.3856
87	L	A	0.0000
88	K	A	-2.8766
89	P	A	-2.2567
90	E	A	-2.5148
91	D	A	0.0000
92	T	A	-1.2298
93	A	A	0.0000
94	I	A	-0.5243
95	Y	A	0.0000
96	Y	A	0.0000
97	S	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	I	A	0.0114
101	R	A	-0.2378
102	A	A	0.4257
103	V	A	0.9866
104	I	A	1.4952
105	G	A	-0.0697
106	R	A	-1.5109
107	H	A	-1.1098
108	I	A	-0.0704
109	R	A	-1.5433
110	P	A	-0.7765
111	H	A	-0.6800
112	I	A	0.5339
113	Y	A	0.7054
114	W	A	0.8531
115	G	A	0.1772
116	Q	A	-0.7818
117	G	A	0.0000
118	T	A	0.0000
119	Q	A	-1.2950
120	V	A	0.0000
121	T	A	-1.0820
122	V	A	0.0000
123	G	A	-1.6020
124	G	A	-1.6948
125	G	A	-1.4463
126	S	A	-0.7271