Project name: query_structure

Chain sequence(s)	A: CGPGRFQCESGQCVPATWVCDGDDDCADGSDEKSCATTAPTCESNQFQCGSGQCLPGTWRCDGVNDCADSSDETGCGRPGPGATSAPAACGPGRFQCNNGNCVPQTLGCDGDNDCGDSSDEANCSAPASEPPGSL
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                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -3.6246
• Maximal score value: 1.2979
• Average score: -1.3425
• Total score value: -181.234

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	C	A	-0.4054
2	G	A	-0.8596
3	P	A	-0.9506
4	G	A	-1.3648
5	R	A	-1.7450
6	F	A	-1.0840
7	Q	A	-1.9428
8	C	A	0.0000
9	E	A	-2.7948
10	S	A	-1.9331
11	G	A	-1.7502
12	Q	A	-1.7999
13	C	A	-1.1231
14	V	A	0.0000
15	P	A	-0.5711
16	A	A	-0.6597
17	T	A	-0.2522
18	W	A	-0.7126
19	V	A	-1.0975
20	C	A	-1.6761
21	D	A	-2.6347
22	G	A	-2.5883
23	D	A	-3.5023
24	D	A	-3.6246
25	D	A	-2.3180
26	C	A	0.0000
27	A	A	-1.3902
28	D	A	-2.1499
29	G	A	0.0000
30	S	A	0.0000
31	D	A	0.0000
32	E	A	-2.3901
33	K	A	-2.3384
34	S	A	-0.9108
35	C	A	-0.5525
36	A	A	-0.2284
37	T	A	-0.0120
38	T	A	-0.2108
39	A	A	-0.4478
40	P	A	-1.1622
41	T	A	-1.0018
42	C	A	-1.5839
43	E	A	-2.5661
44	S	A	-1.8375
45	N	A	-2.2871
46	Q	A	-2.0962
47	F	A	-1.4240
48	Q	A	-1.6708
49	C	A	0.0000
50	G	A	-1.2606
51	S	A	-1.2797
52	G	A	-1.3034
53	Q	A	-1.4004
54	C	A	-1.0684
55	L	A	0.0000
56	P	A	-1.1612
57	G	A	-1.6172
58	T	A	-1.0428
59	W	A	-0.9746
60	R	A	-2.2132
61	C	A	-1.8377
62	D	A	-2.2111
63	G	A	-1.1172
64	V	A	0.0590
65	N	A	-1.3924
66	D	A	-1.3022
67	C	A	0.0000
68	A	A	-1.1445
69	D	A	-1.7126
70	S	A	-1.2185
71	S	A	-1.4820
72	D	A	0.0000
73	E	A	-1.2947
74	T	A	-0.9828
75	G	A	-1.0599
76	C	A	-1.4547
77	G	A	-1.5158
78	R	A	-2.3160
79	P	A	-1.5320
80	G	A	-1.4474
81	P	A	-1.1110
82	G	A	-1.3438
83	A	A	-1.4175
84	T	A	-0.6050
85	S	A	-0.4993
86	A	A	-0.1937
87	P	A	-0.7495
88	A	A	-0.9851
89	A	A	-0.8097
90	C	A	-1.5864
91	G	A	-1.3777
92	P	A	-1.3084
93	G	A	-2.0813
94	R	A	-2.9609
95	F	A	-2.1722
96	Q	A	-2.6328
97	C	A	0.0000
98	N	A	-2.7573
99	N	A	-2.9284
100	G	A	-2.2622
101	N	A	-2.7036
102	C	A	-1.9223
103	V	A	0.0000
104	P	A	-1.7110
105	Q	A	-2.2963
106	T	A	-1.0825
107	L	A	-1.5328
108	G	A	-1.8367
109	C	A	-1.4589
110	D	A	-2.2773
111	G	A	-2.2736
112	D	A	-3.3265
113	N	A	-3.2819
114	D	A	-2.6511
115	C	A	0.0000
116	G	A	-2.2939
117	D	A	-2.3383
118	S	A	-2.3563
119	S	A	-2.1076
120	D	A	0.0000
121	E	A	-1.8492
122	A	A	-0.9755
123	N	A	-1.2246
124	C	A	-0.6187
125	S	A	-0.4450
126	A	A	-0.5482
127	P	A	-0.6212
128	A	A	-0.6709
129	S	A	-1.3098
130	E	A	-2.2212
131	P	A	-1.4631
132	P	A	-0.9862
133	G	A	-0.6640
134	S	A	0.2334
135	L	A	1.2979