Project name: 19e78f3c12aa186

Chain sequence(s)	A: DIQMTQSPSSLSASVGDRVSITCRPSQSISNYLNWYQQKPGTAPKLLISAASTLQVGVPSRFSGSGSGTDFTLTINGLQPEDVATYYCQQSYSTIFTFGPGTKVNVK
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -2.7854
• Maximal score value: 3.0021
• Average score: -0.4069
• Total score value: -43.5349

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	-1.5264
2	I	A	0.0000
3	Q	A	-1.6978
4	M	A	0.0000
5	T	A	-0.8264
6	Q	A	0.0000
7	S	A	-0.7557
8	P	A	-0.6318
9	S	A	-0.8565
10	S	A	-1.2210
11	L	A	-0.9948
12	S	A	-1.1936
13	A	A	-1.1153
14	S	A	-0.6820
15	V	A	0.3213
16	G	A	-0.7649
17	D	A	-1.7497
18	R	A	-2.4979
19	V	A	0.0000
20	S	A	-0.8366
21	I	A	0.0000
22	T	A	-0.8941
23	C	A	0.0000
24	R	A	-2.6837
25	P	A	0.0000
26	S	A	-1.8896
27	Q	A	-1.9138
28	S	A	-1.0675
29	I	A	0.0000
30	S	A	-0.4358
31	N	A	-0.4750
32	Y	A	0.9509
33	L	A	0.0000
34	N	A	0.3659
35	W	A	0.0000
36	Y	A	-0.0337
37	Q	A	0.0000
38	Q	A	-1.2618
39	K	A	-1.5766
40	P	A	-0.8499
41	G	A	-0.8542
42	T	A	-0.9059
43	A	A	-0.7198
44	P	A	-1.0527
45	K	A	-1.4830
46	L	A	-0.0227
47	L	A	0.0000
48	I	A	0.0000
49	S	A	0.1203
50	A	A	0.0024
51	A	A	0.0000
52	S	A	-0.3456
53	T	A	0.0909
54	L	A	0.6865
55	Q	A	0.6427
56	V	A	1.6046
57	G	A	0.4276
58	V	A	0.2855
59	P	A	-0.1167
60	S	A	-0.2849
61	R	A	-0.9578
62	F	A	0.0000
63	S	A	-0.3704
64	G	A	-0.3293
65	S	A	-0.8780
66	G	A	-1.4282
67	S	A	-1.2939
68	G	A	-1.3030
69	T	A	-2.0107
70	D	A	-2.7854
71	F	A	0.0000
72	T	A	-0.9215
73	L	A	0.0000
74	T	A	-0.7840
75	I	A	0.0000
76	N	A	-1.7229
77	G	A	-1.3047
78	L	A	0.0000
79	Q	A	-0.8639
80	P	A	-0.9614
81	E	A	-1.6370
82	D	A	0.0000
83	V	A	-0.9699
84	A	A	0.0000
85	T	A	-1.1433
86	Y	A	0.0000
87	Y	A	0.1902
88	C	A	0.0000
89	Q	A	0.0000
90	Q	A	0.0000
91	S	A	1.8013
92	Y	A	1.8816
93	S	A	1.3784
94	T	A	1.3905
95	I	A	2.6699
96	F	A	3.0021
97	T	A	1.6335
98	F	A	1.6680
99	G	A	0.0000
100	P	A	-0.1021
101	G	A	0.0000
102	T	A	0.0000
103	K	A	-2.1615
104	V	A	0.0000
105	N	A	-1.8556
106	V	A	-1.0291
107	K	A	-1.6180