Project name: query_structure

Chain sequence(s)	A: EVQLQASGGGLVQPGGSLRLSCTASGSIFSINAMGWYRQTPRKERELVAAISEGGSTKYGDSVKGRFTISRDFAKNTQMVYLQMNSLKAEDTAVYYCKAQTEGPIADWGTSQYEYWGQGTQVTVS
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                                          (00:01:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:31)

• Minimal score value: -3.7542
• Maximal score value: 1.6285
• Average score: -0.8678
• Total score value: -108.4746

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	E	A	-2.1162
2	V	A	-1.2044
3	Q	A	-1.7717
4	L	A	0.0000
5	Q	A	-1.7252
6	A	A	-1.2011
7	S	A	-1.2090
8	G	A	-0.9437
9	G	A	-0.7420
10	G	A	0.0132
11	L	A	1.0608
12	V	A	0.0283
13	Q	A	-1.2544
14	P	A	-1.5274
15	G	A	-1.3554
16	G	A	-0.9124
17	S	A	-1.3157
18	L	A	-1.1010
19	R	A	-2.2593
20	L	A	0.0000
21	S	A	-0.8513
22	C	A	0.0000
23	T	A	-0.7572
24	A	A	0.0000
25	S	A	-1.2930
26	G	A	-1.1493
27	S	A	-0.3112
28	I	A	0.5558
29	F	A	1.6285
30	S	A	0.1187
31	I	A	0.0000
32	N	A	-1.8961
33	A	A	-1.5687
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.2529
38	R	A	0.0000
39	Q	A	-2.1546
40	T	A	-2.3106
41	P	A	-1.9964
42	R	A	-3.2394
43	K	A	-3.7542
44	E	A	-3.6783
45	R	A	-2.8668
46	E	A	-1.6632
47	L	A	-0.6626
48	V	A	0.0000
49	A	A	0.0000
50	A	A	-0.5828
51	I	A	0.0000
52	S	A	-1.8944
53	E	A	-2.3626
54	G	A	-1.7179
55	G	A	-1.6850
56	S	A	-1.3269
57	T	A	-1.3254
58	K	A	-2.0366
59	Y	A	-1.5281
60	G	A	-1.6272
61	D	A	-2.6074
62	S	A	-1.8320
63	V	A	0.0000
64	K	A	-2.7921
65	G	A	-1.7428
66	R	A	-1.3842
67	F	A	0.0000
68	T	A	-1.1341
69	I	A	0.0000
70	S	A	-0.4198
71	R	A	-0.5986
72	D	A	-0.5820
73	F	A	0.1965
74	A	A	-0.6283
75	K	A	-2.0674
76	N	A	-1.9846
77	T	A	-1.0690
78	Q	A	-0.7534
79	M	A	-0.2691
80	V	A	0.0000
81	Y	A	-0.6965
82	L	A	0.0000
83	Q	A	-1.6152
84	M	A	0.0000
85	N	A	-1.4338
86	S	A	-1.2128
87	L	A	0.0000
88	K	A	-2.2768
89	A	A	-1.7145
90	E	A	-2.2745
91	D	A	0.0000
92	T	A	-0.8519
93	A	A	0.0000
94	V	A	-0.4742
95	Y	A	0.0000
96	Y	A	-0.5003
97	C	A	0.0000
98	K	A	-0.4110
99	A	A	0.0000
100	Q	A	-1.3881
101	T	A	0.0000
102	E	A	-1.0161
103	G	A	0.0000
104	P	A	0.3466
105	I	A	1.2480
106	A	A	0.3342
107	D	A	-0.8210
108	W	A	0.5456
109	G	A	0.0610
110	T	A	-0.1245
111	S	A	-0.4340
112	Q	A	-1.5870
113	Y	A	-0.8214
114	E	A	-1.2475
115	Y	A	-0.1834
116	W	A	-0.3435
117	G	A	-0.8778
118	Q	A	-1.4741
119	G	A	-0.9914
120	T	A	-1.0369
121	Q	A	-0.9754
122	V	A	0.0000
123	T	A	-0.2316
124	V	A	0.0000
125	S	A	-0.6002