Project name: query_structure

Chain sequence(s)	A: MADVQLVESGGGLVQAGGSLRLSCAASGRTFSTSAMGWFRQAPGKEREFVARITWSAGYTAYSDSVKGRFTISRDKAKNTVYLQMNSLKPEDTAVYYCASRSAGYSSSLTRREDYAYWGQGTQVTVS
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                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.8663
• Maximal score value: 1.1669
• Average score: -0.8196
• Total score value: -104.0935

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	0.4124
2	A	A	-0.7079
3	D	A	-1.8302
4	V	A	-1.1583
5	Q	A	-1.0701
6	L	A	0.0000
7	V	A	1.1669
8	E	A	0.0000
9	S	A	-0.5332
10	G	A	-0.9888
11	G	A	-0.8089
12	G	A	-0.0598
13	L	A	1.0249
14	V	A	0.0043
15	Q	A	-1.2068
16	A	A	-1.4161
17	G	A	-1.3272
18	G	A	-0.8716
19	S	A	-1.2079
20	L	A	-1.0234
21	R	A	-2.1348
22	L	A	0.0000
23	S	A	-0.3844
24	C	A	0.0000
25	A	A	-0.0988
26	A	A	0.0000
27	S	A	-1.1825
28	G	A	-1.5708
29	R	A	-2.1327
30	T	A	-1.1777
31	F	A	0.0000
32	S	A	-0.9706
33	T	A	-0.3448
34	S	A	0.0000
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	-1.6554
41	Q	A	-2.3694
42	A	A	-2.1822
43	P	A	-1.4362
44	G	A	-1.9480
45	K	A	-3.4842
46	E	A	-3.7531
47	R	A	-3.3631
48	E	A	-3.0090
49	F	A	-1.6718
50	V	A	0.0000
51	A	A	0.0000
52	R	A	0.0827
53	I	A	0.0000
54	T	A	0.3322
55	W	A	0.4045
56	S	A	-0.1101
57	A	A	-0.1958
58	G	A	-0.0835
59	Y	A	0.4170
60	T	A	0.1696
61	A	A	-0.1912
62	Y	A	-0.8484
63	S	A	-1.5050
64	D	A	-2.4073
65	S	A	-1.7351
66	V	A	0.0000
67	K	A	-2.6132
68	G	A	-1.7736
69	R	A	-1.4862
70	F	A	0.0000
71	T	A	-0.8738
72	I	A	0.0000
73	S	A	-0.5700
74	R	A	-1.1809
75	D	A	-2.1392
76	K	A	-2.7059
77	A	A	-1.9790
78	K	A	-2.6886
79	N	A	-2.2677
80	T	A	0.0000
81	V	A	0.0000
82	Y	A	-0.6376
83	L	A	0.0000
84	Q	A	-1.2484
85	M	A	0.0000
86	N	A	-1.3901
87	S	A	-1.2080
88	L	A	0.0000
89	K	A	-2.3831
90	P	A	-1.9446
91	E	A	-2.3721
92	D	A	0.0000
93	T	A	-1.0052
94	A	A	0.0000
95	V	A	-0.7054
96	Y	A	0.0000
97	Y	A	-0.3528
98	C	A	0.0000
99	A	A	0.0000
100	S	A	0.0000
101	R	A	0.0000
102	S	A	0.1230
103	A	A	-0.1580
104	G	A	-0.1303
105	Y	A	0.5042
106	S	A	-0.0003
107	S	A	-0.1726
108	S	A	-0.4760
109	L	A	-0.5687
110	T	A	-1.5187
111	R	A	-3.3539
112	R	A	-3.8663
113	E	A	-3.4281
114	D	A	-2.0523
115	Y	A	-1.0761
116	A	A	-0.1869
117	Y	A	0.4100
118	W	A	0.4620
119	G	A	0.0364
120	Q	A	-0.8159
121	G	A	0.0000
122	T	A	0.0000
123	Q	A	-1.0845
124	V	A	0.0000
125	T	A	-0.3212
126	V	A	0.0000
127	S	A	-0.7523