Project name: query_structure

Chain sequence(s)	A: MKYLLPTAAAGLLLLAAQPAMAQGQLVESGGGLVQPGGSLRLSCVASGFDFSNYTMSWVRQAPGKGLEWVSDISSGGGSTYYADSVKGRFTISRDNAKNTVYLQMNTLKPEDTAVYLCTELGVAPPGQGTRVTVSS
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                                          (00:01:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:38)

• Minimal score value: -2.423
• Maximal score value: 3.4458
• Average score: -0.3571
• Total score value: -48.5664

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	0.6561
2	K	A	0.0675
3	Y	A	1.7601
4	L	A	2.5821
5	L	A	2.2670
6	P	A	1.0217
7	T	A	0.4527
8	A	A	0.1322
9	A	A	0.1345
10	A	A	0.4832
11	G	A	0.9609
12	L	A	2.7315
13	L	A	3.3505
14	L	A	3.4458
15	L	A	2.8185
16	A	A	1.0949
17	A	A	0.0971
18	Q	A	-0.9067
19	P	A	-0.4622
20	A	A	-0.0863
21	M	A	0.4648
22	A	A	-0.3846
23	Q	A	-1.2737
24	G	A	-1.6118
25	Q	A	-1.2974
26	L	A	-0.1521
27	V	A	1.0702
28	E	A	0.0324
29	S	A	-0.6924
30	G	A	-1.2915
31	G	A	-1.0577
32	G	A	-0.2229
33	L	A	0.9837
34	V	A	0.0082
35	Q	A	-1.2885
36	P	A	-1.5516
37	G	A	-1.3512
38	G	A	-0.8932
39	S	A	-1.1556
40	L	A	-0.8506
41	R	A	-2.0121
42	L	A	0.0000
43	S	A	-0.1875
44	C	A	0.0000
45	V	A	0.4545
46	A	A	0.0000
47	S	A	-0.9111
48	G	A	-1.3889
49	F	A	-1.3988
50	D	A	-2.2346
51	F	A	0.0000
52	S	A	-1.6089
53	N	A	-1.8289
54	Y	A	-0.4618
55	T	A	-0.0823
56	M	A	0.0000
57	S	A	0.0000
58	W	A	0.0000
59	V	A	0.0000
60	R	A	0.0000
61	Q	A	-1.1788
62	A	A	-1.5494
63	P	A	-1.3871
64	G	A	-1.6393
65	K	A	-2.2491
66	G	A	-1.1268
67	L	A	0.2321
68	E	A	-0.3183
69	W	A	0.0976
70	V	A	0.0000
71	S	A	0.0000
72	D	A	0.2830
73	I	A	0.0000
74	S	A	-0.3159
75	S	A	-1.1026
76	G	A	-1.1239
77	G	A	-0.9792
78	G	A	-0.7994
79	S	A	-0.2658
80	T	A	0.3529
81	Y	A	0.8359
82	Y	A	-0.2510
83	A	A	0.0000
84	D	A	-2.2374
85	S	A	-1.7429
86	V	A	0.0000
87	K	A	-2.4230
88	G	A	-1.7480
89	R	A	-1.2660
90	F	A	0.0000
91	T	A	-0.6350
92	I	A	0.0000
93	S	A	-0.3658
94	R	A	-1.0076
95	D	A	-1.4843
96	N	A	-2.1098
97	A	A	-1.4243
98	K	A	-2.2019
99	N	A	-1.8463
100	T	A	0.0000
101	V	A	0.0000
102	Y	A	-0.3087
103	L	A	0.0000
104	Q	A	-1.0106
105	M	A	0.0000
106	N	A	-1.2809
107	T	A	-1.1224
108	L	A	0.0000
109	K	A	-2.2508
110	P	A	-1.8654
111	E	A	-2.3373
112	D	A	0.0000
113	T	A	-1.0452
114	A	A	0.0000
115	V	A	-0.6709
116	Y	A	0.0000
117	L	A	0.0000
118	C	A	0.0000
119	T	A	0.0000
120	E	A	0.2091
121	L	A	1.6055
122	G	A	0.9972
123	V	A	1.8110
124	A	A	0.9615
125	P	A	-0.3752
126	P	A	-0.5181
127	G	A	-0.7637
128	Q	A	-1.3219
129	G	A	-0.9233
130	T	A	0.0000
131	R	A	-1.8661
132	V	A	0.0000
133	T	A	-0.4058
134	V	A	0.0000
135	S	A	-0.6448
136	S	A	-0.8874