Project name: query_structure

Chain sequence(s)	A: MAQVQLVESGGGLVQAGDSLRLSSAASGRTFENYAMGWFRQAPGKEREFVGAVSWGGGRTYYADNVKGRFTISRDNAKKTVYLQMNSLKPEDTAVYSSAAKSVLTIATMRVPDEYNYWGQGTQVTVSKEAI
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.                                          (00:01:37)

• Minimal score value: -3.9951
• Maximal score value: 1.7125
• Average score: -0.9168
• Total score value: -120.0957

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	0.5477
2	A	A	-0.5134
3	Q	A	-1.5073
4	V	A	-1.1554
5	Q	A	-1.2191
6	L	A	0.0000
7	V	A	0.3474
8	E	A	0.0000
9	S	A	-0.7457
10	G	A	-1.0191
11	G	A	-0.8436
12	G	A	-0.2134
13	L	A	1.1272
14	V	A	0.0000
15	Q	A	-1.7635
16	A	A	-2.3406
17	G	A	-2.0229
18	D	A	-2.0899
19	S	A	-1.7073
20	L	A	-1.2560
21	R	A	-2.0243
22	L	A	0.0000
23	S	A	-0.4946
24	S	A	0.0000
25	A	A	-0.4456
26	A	A	-1.0619
27	S	A	-1.0645
28	G	A	-1.6168
29	R	A	-2.2869
30	T	A	-1.7243
31	F	A	0.0000
32	E	A	-1.9229
33	N	A	-1.5348
34	Y	A	-0.4488
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	-2.7963
42	A	A	-2.3532
43	P	A	-1.5891
44	G	A	-2.1240
45	K	A	-3.6307
46	E	A	-3.9951
47	R	A	-3.5742
48	E	A	-2.2805
49	F	A	-1.0987
50	V	A	0.0000
51	G	A	0.0000
52	A	A	0.0000
53	V	A	0.0000
54	S	A	0.0000
55	W	A	-0.3125
56	G	A	-1.2395
57	G	A	-1.3332
58	G	A	-1.5377
59	R	A	-1.8738
60	T	A	-0.7944
61	Y	A	-0.5966
62	Y	A	-1.0892
63	A	A	-1.7352
64	D	A	-2.8393
65	N	A	-2.4512
66	V	A	0.0000
67	K	A	-2.8659
68	G	A	-1.9115
69	R	A	-1.4943
70	F	A	0.0000
71	T	A	-0.8209
72	I	A	0.0000
73	S	A	-0.7087
74	R	A	-1.1399
75	D	A	-1.8174
76	N	A	-1.9844
77	A	A	-1.5375
78	K	A	-2.3393
79	K	A	-2.2148
80	T	A	-1.2020
81	V	A	0.0000
82	Y	A	-0.5973
83	L	A	0.0000
84	Q	A	-1.1549
85	M	A	0.0000
86	N	A	-1.6491
87	S	A	-1.5380
88	L	A	0.0000
89	K	A	-2.6866
90	P	A	-2.3670
91	E	A	-2.2625
92	D	A	0.0000
93	T	A	-0.9860
94	A	A	0.0000
95	V	A	-0.7200
96	Y	A	0.0000
97	S	A	-0.5846
98	S	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	K	A	0.0000
102	S	A	-0.4001
103	V	A	0.7040
104	L	A	1.7125
105	T	A	1.2860
106	I	A	1.0397
107	A	A	0.6547
108	T	A	0.0135
109	M	A	0.0000
110	R	A	-0.8662
111	V	A	-0.6534
112	P	A	-1.5816
113	D	A	-2.4430
114	E	A	-2.1543
115	Y	A	0.0000
116	N	A	-1.6917
117	Y	A	-0.5966
118	W	A	-0.1276
119	G	A	-0.3491
120	Q	A	-1.1393
121	G	A	0.0000
122	T	A	-0.7783
123	Q	A	-1.1993
124	V	A	0.0000
125	T	A	-0.4925
126	V	A	0.0000
127	S	A	-1.7485
128	K	A	-2.8595
129	E	A	-2.3347
130	A	A	-0.5451
131	I	A	1.2820