Project name: M-1

Chain sequence(s)	A: DVQLVESGGGLVQPGGSLKLSCAASGFILDYYAIGWFRQAPGKEREGVLCIDASDDIAYYADSVKGRFTISRDNSKNTVYLQMNSLRPEDTAVYYCATPIGLSSSCLLEYDYDYWGQGTLVTVSS
Selected Chain(s)	A
Distance of aggregation	5 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: -2.2515
• Maximal score value: 1.944
• Average score: -0.2062
• Total score value: -25.7755

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	D	A	-1.7282
2	V	A	-0.2179
3	Q	A	-0.8771
4	L	A	0.0000
5	V	A	1.6395
6	E	A	0.0000
7	S	A	-0.2365
8	G	A	-0.4232
9	G	A	-0.2913
10	G	A	0.0561
11	L	A	1.5096
12	V	A	0.0000
13	Q	A	-1.2198
14	P	A	-0.4182
15	G	A	-0.5174
16	G	A	-0.1703
17	S	A	-0.1951
18	L	A	-0.0977
19	K	A	-1.6857
20	L	A	0.0000
21	S	A	-0.0261
22	C	A	0.0000
23	A	A	0.0305
24	A	A	-0.0276
25	S	A	-0.2959
26	G	A	-0.4214
27	F	A	0.4586
28	I	A	1.7805
29	L	A	0.0000
30	D	A	-0.5080
31	Y	A	1.2484
32	Y	A	0.6152
33	A	A	0.0000
34	I	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-0.5756
40	A	A	-0.1244
41	P	A	-0.3370
42	G	A	-0.8144
43	K	A	-2.1208
44	E	A	-2.2515
45	R	A	-1.2472
46	E	A	-1.2945
47	G	A	-0.2253
48	V	A	0.0000
49	L	A	0.0000
50	C	A	0.0000
51	I	A	0.0000
52	D	A	-0.4737
53	A	A	-0.0671
54	S	A	-0.5341
55	D	A	-2.1462
56	D	A	-1.9184
57	I	A	0.7376
58	A	A	0.3326
59	Y	A	0.7243
60	Y	A	0.5015
61	A	A	-0.2414
62	D	A	-1.8258
63	S	A	-0.5336
64	V	A	0.0000
65	K	A	-1.7843
66	G	A	-0.8336
67	R	A	-0.4200
68	F	A	0.0000
69	T	A	-0.0467
70	I	A	0.0000
71	S	A	-0.1897
72	R	A	-0.3419
73	D	A	-0.7403
74	N	A	-1.4170
75	S	A	-0.7461
76	K	A	-1.7702
77	N	A	-0.6345
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.2027
81	L	A	0.0000
82	Q	A	-0.4457
83	M	A	0.0000
84	N	A	-0.6682
85	S	A	-0.3075
86	L	A	0.0000
87	R	A	-1.0445
88	P	A	-0.7404
89	E	A	-1.8619
90	D	A	0.0000
91	T	A	-0.0165
92	A	A	0.0000
93	V	A	0.6553
94	Y	A	0.0000
95	Y	A	0.1730
96	C	A	0.0000
97	A	A	0.0000
98	T	A	0.0000
99	P	A	0.0000
100	I	A	1.9440
101	G	A	0.2677
102	L	A	1.4691
103	S	A	0.1911
104	S	A	-0.2342
105	S	A	-0.0874
106	C	A	0.1376
107	L	A	0.4897
108	L	A	0.5399
109	E	A	-0.8489
110	Y	A	1.0470
111	D	A	-0.0513
112	Y	A	0.0000
113	D	A	-1.7071
114	Y	A	0.1834
115	W	A	0.3630
116	G	A	-0.2165
117	Q	A	-1.2162
118	G	A	-0.2388
119	T	A	0.2654
120	L	A	1.6085
121	V	A	0.0000
122	T	A	0.1504
123	V	A	0.0000
124	S	A	-0.1643
125	S	A	-0.2356