Project name: 5G8-9

Chain sequence(s)	A: MGQWVEQSPSSLSASVGDRVTITCVLRDSSCPLASTYWYFTKPGATKKESLSNGGRYAETVNKASKSFTLTISSLQPEDFATYYCKAVNSWTNCAPLERYYEGGGTKVEIK
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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.9425
• Maximal score value: 0.6914
• Average score: -0.7758
• Total score value: -86.1132

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	0.3233
2	G	A	-0.6067
3	Q	A	-1.3816
4	W	A	-1.4300
5	V	A	0.0000
6	E	A	-2.4384
7	Q	A	-1.4182
8	S	A	-0.8244
9	P	A	-0.8142
10	S	A	-1.0075
11	S	A	-1.1066
12	L	A	-0.7426
13	S	A	-1.0707
14	A	A	0.0000
15	S	A	-0.2473
16	V	A	0.6914
17	G	A	-0.6247
18	D	A	-1.5700
19	R	A	-2.2553
20	V	A	0.0000
21	T	A	-0.5316
22	I	A	0.0000
23	T	A	-0.3875
24	C	A	0.0000
25	V	A	-1.2739
26	L	A	0.0000
27	R	A	-2.6854
28	D	A	-2.4471
29	S	A	-1.4974
30	S	A	-1.0901
31	C	A	0.0000
32	P	A	-0.5834
33	L	A	0.0000
34	A	A	-0.2633
35	S	A	0.1657
36	T	A	0.2811
37	Y	A	0.2825
38	W	A	0.0000
39	Y	A	-0.6798
40	F	A	-1.2494
41	T	A	-1.8945
42	K	A	-2.0535
43	P	A	-1.2330
44	G	A	-0.9919
45	A	A	-1.4608
46	T	A	-1.6198
47	K	A	-2.9185
48	K	A	-2.9425
49	E	A	-2.8921
50	S	A	-1.3727
51	L	A	-0.6841
52	S	A	-1.0536
53	N	A	-1.7160
54	G	A	-1.4628
55	G	A	-1.1698
56	R	A	-1.2850
57	Y	A	-0.9241
58	A	A	-0.9225
59	E	A	-0.6242
60	T	A	-0.4971
61	V	A	-0.4245
62	N	A	-1.5618
63	K	A	-1.7903
64	A	A	-1.0217
65	S	A	-1.0663
66	K	A	-1.2809
67	S	A	-1.0405
68	F	A	0.0000
69	T	A	-0.1953
70	L	A	0.0000
71	T	A	-0.7561
72	I	A	0.0000
73	S	A	-1.3841
74	S	A	-1.1088
75	L	A	0.0000
76	Q	A	-0.8230
77	P	A	-0.5319
78	E	A	-1.5624
79	D	A	0.0000
80	F	A	-0.6605
81	A	A	0.0000
82	T	A	-1.0968
83	Y	A	0.0000
84	Y	A	-0.6774
85	C	A	0.0000
86	K	A	-0.3589
87	A	A	0.0000
88	V	A	0.0000
89	N	A	0.0000
90	S	A	-0.0806
91	W	A	0.5291
92	T	A	-0.2572
93	N	A	-0.9687
94	C	A	-0.2870
95	A	A	0.1276
96	P	A	0.1002
97	L	A	0.6176
98	E	A	-0.6505
99	R	A	-0.7441
100	Y	A	0.1519
101	Y	A	0.0000
102	E	A	-1.9151
103	G	A	-1.6579
104	G	A	-1.4474
105	G	A	0.0000
106	T	A	0.0000
107	K	A	-1.7388
108	V	A	0.0000
109	E	A	-1.4005
110	I	A	0.1800
111	K	A	-1.1290