Project name: B22

Chain sequence(s)	A: ESGGGLVQPGGSLRLSCAASGSFFAIYTMGWHRQVPGQQRELVATIASDGSTNYANFVKGRFTISRDNNMVYLQMNSLKPEDTAVYYCNADLGITFGTEGTRVFGAWGQGTQVTVTS
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                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -3.0139
• Maximal score value: 2.037
• Average score: -0.6916
• Total score value: -80.92

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	-2.2289
2	S	A	-1.7616
3	G	A	-1.2953
4	G	A	-1.2225
5	G	A	-0.0858
6	L	A	0.9747
7	V	A	-0.0801
8	Q	A	-1.3811
9	P	A	-2.0539
10	G	A	-1.7314
11	G	A	-1.4456
12	S	A	-1.7147
13	L	A	-1.3011
14	R	A	-2.1483
15	L	A	0.0000
16	S	A	-0.9250
17	C	A	0.0000
18	A	A	-0.6805
19	A	A	-0.3395
20	S	A	-0.3937
21	G	A	-0.7534
22	S	A	-0.1011
23	F	A	0.7818
24	F	A	0.0000
25	A	A	0.1091
26	I	A	2.0370
27	Y	A	1.3773
28	T	A	0.5057
29	M	A	0.0000
30	G	A	0.0000
31	W	A	0.0000
32	H	A	0.0000
33	R	A	-0.8528
34	Q	A	-1.3304
35	V	A	-1.2440
36	P	A	-1.0563
37	G	A	-1.4907
38	Q	A	-2.3801
39	Q	A	-2.5260
40	R	A	-2.1491
41	E	A	-1.0678
42	L	A	0.0154
43	V	A	0.0000
44	A	A	0.0000
45	T	A	-0.4124
46	I	A	0.0000
47	A	A	-0.8921
48	S	A	-0.5222
49	D	A	-1.8210
50	G	A	-1.6107
51	S	A	-1.2709
52	T	A	-1.0861
53	N	A	-1.6199
54	Y	A	-1.2223
55	A	A	-0.9634
56	N	A	-1.6384
57	F	A	-0.4591
58	V	A	0.0000
59	K	A	-2.4828
60	G	A	-1.8551
61	R	A	-1.9737
62	F	A	0.0000
63	T	A	-1.2468
64	I	A	0.0000
65	S	A	-0.9268
66	R	A	-1.9764
67	D	A	-2.7378
68	N	A	-2.4344
69	N	A	-1.5213
70	M	A	-1.0403
71	V	A	0.0000
72	Y	A	-0.6188
73	L	A	0.0000
74	Q	A	-1.5320
75	M	A	0.0000
76	N	A	-2.3936
77	S	A	-1.8529
78	L	A	0.0000
79	K	A	-3.0139
80	P	A	-2.1404
81	E	A	-2.4501
82	D	A	0.0000
83	T	A	-0.9142
84	A	A	0.0000
85	V	A	-0.6464
86	Y	A	0.0000
87	Y	A	-0.5374
88	C	A	0.0000
89	N	A	0.0000
90	A	A	0.0000
91	D	A	0.0000
92	L	A	1.6522
93	G	A	0.9655
94	I	A	1.2761
95	T	A	0.4737
96	F	A	1.1594
97	G	A	-0.0235
98	T	A	-0.7710
99	E	A	-2.0324
100	G	A	-1.4683
101	T	A	-0.7206
102	R	A	-0.6801
103	V	A	0.9595
104	F	A	1.4034
105	G	A	0.7897
106	A	A	0.6353
107	W	A	0.2787
108	G	A	-0.8100
109	Q	A	-1.6832
110	G	A	-1.2637
111	T	A	0.0000
112	Q	A	-1.3039
113	V	A	0.0000
114	T	A	-0.4649
115	V	A	0.0000
116	T	A	-0.7027
117	S	A	-0.8359