Project name: a22f418f06f4b22

Chain sequence(s)	A: FILTQPHSVSGSPGKTVTISCVRNSGTIGSAYVQWYQQGPGKSPVTVIYENDQRPSGVPDRFSGSIDTASNSASLTISGLRTDDEADYYCQSYDGSRVWVFGAGTKLTVL
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -3.0298
• Maximal score value: 2.4816
• Average score: -0.486
• Total score value: -53.4594

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
2	F	A	0.9802
3	I	A	2.1700
4	L	A	0.0000
5	T	A	0.5987
6	Q	A	0.0000
7	P	A	-0.6866
8	H	A	-1.4684
9	S	A	-1.2039
10	V	A	-0.5257
11	S	A	-0.1198
12	G	A	-0.3408
13	S	A	-0.5294
14	P	A	-1.2789
15	G	A	-1.9820
16	K	A	-2.4007
17	T	A	-1.3962
18	V	A	0.0000
19	T	A	-0.1370
20	I	A	0.0000
21	S	A	0.1058
22	C	A	0.0000
23	V	A	0.4676
24	R	A	0.0000
25	N	A	-0.5341
26	S	A	-0.4639
27	G	A	-0.8997
28	T	A	-0.8865
29	I	A	0.0000
30	G	A	-0.5028
31	S	A	-0.2483
32	A	A	0.2359
33	Y	A	0.6407
34	V	A	0.0000
35	Q	A	-0.2063
36	W	A	0.0000
37	Y	A	0.6609
38	Q	A	-0.4367
39	Q	A	-1.1713
40	G	A	-1.6827
41	P	A	-1.4500
42	G	A	-1.5319
43	K	A	-1.9995
44	S	A	-0.8947
45	P	A	-0.0894
46	V	A	1.3416
47	T	A	0.7939
48	V	A	0.0000
49	I	A	0.0000
50	Y	A	-0.7995
51	E	A	-1.4545
52	N	A	-1.4949
53	D	A	-2.6152
54	Q	A	-2.4165
55	R	A	-2.0800
56	P	A	-0.6538
57	S	A	-0.8707
58	G	A	-0.8456
59	V	A	-0.5788
60	P	A	-1.2533
61	D	A	-2.1745
62	R	A	-1.2358
63	F	A	0.0000
64	S	A	-1.3869
65	G	A	-1.3681
66	S	A	-1.1748
67	I	A	-0.5756
68	D	A	-1.2513
69	T	A	-0.8336
70	A	A	-0.4923
71	S	A	-0.4883
72	N	A	-0.8246
73	S	A	0.0000
74	A	A	0.0000
75	S	A	-0.4617
76	L	A	0.0000
77	T	A	-0.2464
78	I	A	0.0000
79	S	A	-1.4233
80	G	A	-1.8074
81	L	A	0.0000
82	R	A	-3.0298
83	T	A	-2.0908
84	D	A	-2.8669
85	D	A	0.0000
86	E	A	-2.6855
87	A	A	0.0000
88	D	A	-1.8661
89	Y	A	0.0000
90	Y	A	0.2751
91	C	A	0.0000
92	Q	A	0.0000
93	S	A	0.0000
94	Y	A	1.5846
95	D	A	0.4111
96	G	A	-0.7611
97	S	A	-0.6691
98	R	A	-1.0424
99	V	A	1.3531
100	W	A	2.1623
101	V	A	2.3752
102	F	A	2.4816
103	G	A	1.2825
104	A	A	0.2608
105	G	A	-0.5304
106	T	A	0.0000
107	K	A	-2.1701
108	L	A	0.0000
109	T	A	-0.6896
110	V	A	-0.4813
111	L	A	1.1167