Project name: pool29

Chain sequence(s)	A: MAEVQLVESGGGLVQPGGSLRLSCAASGIDFSRNQFHWVRQAPGKGLEWVSAISPSGEVVVTADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCALSYYQTRAPVENVWGQGTLVTVSS
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                                          (00:01:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:22)

• Minimal score value: -2.5605
• Maximal score value: 2.1122
• Average score: -0.5546
• Total score value: -68.216

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	0.6606
2	A	A	-0.3853
3	E	A	-1.6319
4	V	A	-0.8523
5	Q	A	-0.9031
6	L	A	0.0000
7	V	A	0.7696
8	E	A	0.2619
9	S	A	-0.3212
10	G	A	-0.7331
11	G	A	0.1439
12	G	A	0.6878
13	L	A	1.3584
14	V	A	0.0000
15	Q	A	-1.3494
16	P	A	-1.4935
17	G	A	-1.3383
18	G	A	-0.9247
19	S	A	-1.2329
20	L	A	-0.9299
21	R	A	-1.9134
22	L	A	0.0000
23	S	A	-0.4632
24	C	A	0.0000
25	A	A	-0.2453
26	A	A	0.0000
27	S	A	-0.7659
28	G	A	-0.7987
29	I	A	-0.8505
30	D	A	-1.5908
31	F	A	0.0000
32	S	A	-2.0567
33	R	A	-2.3055
34	N	A	-1.3129
35	Q	A	-0.7907
36	F	A	0.0000
37	H	A	0.1987
38	W	A	0.0000
39	V	A	0.0000
40	R	A	0.0000
41	Q	A	-0.4314
42	A	A	-1.0238
43	P	A	-1.3264
44	G	A	-1.4363
45	K	A	-2.1212
46	G	A	-0.9626
47	L	A	0.5036
48	E	A	-0.1629
49	W	A	0.4047
50	V	A	0.0000
51	S	A	0.0000
52	A	A	0.0000
53	I	A	0.0000
54	S	A	-0.1512
55	P	A	-1.3955
56	S	A	-1.0406
57	G	A	-0.7013
58	E	A	-0.8543
59	V	A	1.5925
60	V	A	2.1122
61	V	A	1.9040
62	T	A	-0.0555
63	A	A	-1.0950
64	D	A	-2.4225
65	S	A	-1.7635
66	V	A	0.0000
67	K	A	-2.5605
68	G	A	-1.8196
69	R	A	-1.6220
70	F	A	0.0000
71	T	A	-0.5926
72	I	A	0.0000
73	S	A	-0.4513
74	R	A	-1.0124
75	D	A	-1.5719
76	N	A	-2.1810
77	S	A	-1.6637
78	K	A	-2.4122
79	N	A	-1.9326
80	T	A	-1.0784
81	L	A	0.0000
82	Y	A	-0.5600
83	L	A	0.0000
84	Q	A	-1.2725
85	M	A	0.0000
86	N	A	-1.3648
87	S	A	-1.1678
88	L	A	0.0000
89	R	A	-2.0081
90	A	A	-1.5851
91	E	A	-2.1614
92	D	A	0.0000
93	T	A	-0.3676
94	A	A	0.0000
95	V	A	0.9041
96	Y	A	0.0000
97	Y	A	0.4848
98	C	A	0.0000
99	A	A	0.0000
100	L	A	0.0000
101	S	A	-0.4113
102	Y	A	-0.2863
103	Y	A	0.1403
104	Q	A	-1.1214
105	T	A	-1.0410
106	R	A	-1.9460
107	A	A	-1.0457
108	P	A	-0.5384
109	V	A	0.0907
110	E	A	-1.1932
111	N	A	-1.2159
112	V	A	-0.3706
113	W	A	-0.0201
114	G	A	-0.0659
115	Q	A	-0.9033
116	G	A	0.0251
117	T	A	0.5434
118	L	A	1.7025
119	V	A	0.0000
120	T	A	0.3765
121	V	A	0.0000
122	S	A	-0.7409
123	S	A	-0.6626