Project name: query_structure

Chain sequence(s)	A: MADVQLVESGGRSVRAGDSLRLSCLASGGTFSLYAMGWFRQAPGKEREFVAAVTWSGGSTYYTDSVKGRFSISRDNAKNTVYLQMNSLKPEDTAVYYCAVRTSGFFGSIPVTERAFDYWGQGTQVTVS
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -3.0117
• Maximal score value: 1.7691
• Average score: -0.695
• Total score value: -88.9585

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	0.5988
2	A	A	-0.4789
3	D	A	-1.6436
4	V	A	-1.0055
5	Q	A	-1.1195
6	L	A	0.0000
7	V	A	0.5060
8	E	A	-0.1702
9	S	A	-0.7255
10	G	A	-1.6373
11	G	A	-1.9977
12	R	A	-2.5927
13	S	A	-1.7151
14	V	A	-1.8078
15	R	A	-2.5081
16	A	A	-2.1612
17	G	A	-1.8550
18	D	A	-2.0402
19	S	A	-1.8103
20	L	A	0.0000
21	R	A	-2.3978
22	L	A	0.0000
23	S	A	-0.3234
24	C	A	0.0000
25	L	A	0.4976
26	A	A	0.0000
27	S	A	-0.5587
28	G	A	-0.8004
29	G	A	-0.3893
30	T	A	0.2846
31	F	A	0.0000
32	S	A	0.1252
33	L	A	1.3583
34	Y	A	1.1302
35	A	A	0.0000
36	M	A	0.0000
37	G	A	0.0000
38	W	A	0.0000
39	F	A	0.0000
40	R	A	0.0000
41	Q	A	-1.6029
42	A	A	-1.6898
43	P	A	-1.2208
44	G	A	-1.7235
45	K	A	-2.7872
46	E	A	-3.0117
47	R	A	-2.1771
48	E	A	-1.3691
49	F	A	-0.4700
50	V	A	0.0000
51	A	A	0.0000
52	A	A	0.0000
53	V	A	0.0000
54	T	A	0.0000
55	W	A	0.4053
56	S	A	-0.2998
57	G	A	-0.7995
58	G	A	-0.6691
59	S	A	-0.2497
60	T	A	0.1073
61	Y	A	0.3823
62	Y	A	-0.4049
63	T	A	-1.0865
64	D	A	-2.3427
65	S	A	-1.7456
66	V	A	0.0000
67	K	A	-2.5414
68	G	A	-1.7949
69	R	A	-1.4996
70	F	A	0.0000
71	S	A	-0.8640
72	I	A	0.0000
73	S	A	-0.6399
74	R	A	-1.1969
75	D	A	-1.8279
76	N	A	-1.9674
77	A	A	-1.6301
78	K	A	-2.2499
79	N	A	-1.6481
80	T	A	0.0000
81	V	A	0.0000
82	Y	A	-0.5319
83	L	A	0.0000
84	Q	A	-1.3058
85	M	A	0.0000
86	N	A	-1.6391
87	S	A	-1.5283
88	L	A	0.0000
89	K	A	-2.4126
90	P	A	-1.9886
91	E	A	-2.3169
92	D	A	0.0000
93	T	A	-1.2912
94	A	A	0.0000
95	V	A	-0.4133
96	Y	A	0.0000
97	Y	A	-0.2229
98	C	A	0.0000
99	A	A	0.0000
100	V	A	0.0000
101	R	A	0.0000
102	T	A	0.0970
103	S	A	0.2955
104	G	A	0.6990
105	F	A	1.7691
106	F	A	1.0952
107	G	A	0.4203
108	S	A	0.4277
109	I	A	1.1583
110	P	A	0.0088
111	V	A	0.1858
112	T	A	-0.8647
113	E	A	-2.2534
114	R	A	-2.6453
115	A	A	-1.1123
116	F	A	0.0000
117	D	A	-1.5822
118	Y	A	-0.2286
119	W	A	-0.1277
120	G	A	-0.2095
121	Q	A	-1.2105
122	G	A	-0.7079
123	T	A	0.0000
124	Q	A	-1.8173
125	V	A	0.0000
126	T	A	-1.5152
127	V	A	0.0000
128	S	A	-1.3374