Project name: b58cb53df7af28

Chain sequence(s)	J: SALTQPASVSGSPGQSITISCTATSSDVGAYQYVSWYQQYPGKAPKLMIYEVSKRPSGVSNRFSGSKSGNTASLTISGLQAEDDAYYYCNSYTTSSVVFGGGTKLTVL
Selected Chain(s)	J
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 J 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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -2.5325
• Maximal score value: 2.556
• Average score: -0.4543
• Total score value: -49.0671

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	S	J	-0.1370
3	A	J	0.1987
4	L	J	0.0000
5	T	J	-0.0073
6	Q	J	0.0000
7	P	J	-0.3445
8	A	J	-0.2835
9	S	J	-0.3286
11	V	J	0.0563
12	S	J	0.0211
13	G	J	0.0000
14	S	J	-0.1659
15	P	J	-0.9088
16	G	J	-1.1343
17	Q	J	-1.4134
18	S	J	-0.8197
19	I	J	-0.0192
20	T	J	0.0612
21	I	J	0.0000
22	S	J	-0.3016
23	C	J	0.0000
24	T	J	-0.5454
25	A	J	0.0000
26	T	J	-0.5804
27	S	J	-0.9009
28	S	J	-1.2305
29	D	J	-2.1084
30	V	J	0.0000
31	G	J	-1.4080
35	A	J	-0.9359
36	Y	J	0.0000
37	Q	J	-1.3611
38	Y	J	0.2236
39	V	J	0.0000
40	S	J	0.0000
41	W	J	0.0000
42	Y	J	0.4323
43	Q	J	0.0000
44	Q	J	-0.6737
45	Y	J	-0.9778
46	P	J	-0.9041
47	G	J	-1.3245
48	K	J	-2.0443
49	A	J	-1.0445
50	P	J	-0.6618
51	K	J	-0.4795
52	L	J	0.4920
53	M	J	0.0000
54	I	J	0.0000
55	Y	J	-0.7027
56	E	J	-2.1566
57	V	J	0.0000
65	S	J	-1.7697
66	K	J	-2.5325
67	R	J	-1.7862
68	P	J	-0.9498
69	S	J	-0.8247
70	G	J	-0.5849
71	V	J	-0.2217
72	S	J	-0.8991
74	N	J	-1.7790
75	R	J	-1.5248
76	F	J	0.0000
77	S	J	-1.0526
78	G	J	-1.1228
79	S	J	-1.1839
80	K	J	-1.8015
83	S	J	-1.1943
84	G	J	-1.6162
85	N	J	-1.9845
86	T	J	-1.2699
87	A	J	0.0000
88	S	J	-0.5925
89	L	J	0.0000
90	T	J	-0.2009
91	I	J	0.0000
92	S	J	-1.1267
93	G	J	-1.2695
94	L	J	0.0000
95	Q	J	-1.6818
96	A	J	-1.3133
97	E	J	-2.3543
98	D	J	-1.6260
99	D	J	-1.5718
100	A	J	0.0000
101	Y	J	-0.0867
102	Y	J	0.0000
103	Y	J	0.5229
104	C	J	0.0000
105	N	J	0.0000
106	S	J	0.0000
107	Y	J	1.7181
108	T	J	0.5705
109	T	J	-0.1421
114	S	J	0.1203
115	S	J	0.8166
116	V	J	2.5560
117	V	J	2.0646
118	F	J	2.2948
119	G	J	0.6400
120	G	J	-0.1043
121	G	J	-0.0005
122	T	J	0.0000
123	K	J	-0.6899
124	L	J	0.0000
125	T	J	-0.3404
126	V	J	0.0044
127	L	J	1.2422