Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCTASDRAFSTYNMGWFRQAPGKEREFVAGINWTGRSADYPDSVKGRFTISRDNAKNAVYLQMNSLKPEDTAVYYCAAKRYGSRSDYSWNDYDSWGQGTQVTVSSGAAEPEA
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                                          (00:01:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:40)

• Minimal score value: -3.6819
• Maximal score value: 1.1204
• Average score: -1.0394
• Total score value: -137.1997

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	Q	A	-1.7521
2	V	A	0.0000
3	Q	A	-1.9330
4	L	A	0.0000
5	Q	A	-1.4700
6	E	A	0.0000
7	S	A	-1.0977
8	G	A	-0.9768
9	G	A	-0.7698
10	G	A	-0.0471
11	L	A	1.1204
12	V	A	0.1650
13	Q	A	-0.9711
14	A	A	-1.3083
15	G	A	-1.2239
16	G	A	-0.8052
17	S	A	-1.1918
18	L	A	-1.0203
19	R	A	-2.1237
20	L	A	0.0000
21	S	A	-0.7958
22	C	A	0.0000
23	T	A	-1.1213
24	A	A	-1.5208
25	S	A	-1.5341
26	D	A	-1.8212
27	R	A	-2.3682
28	A	A	-1.2524
29	F	A	0.0000
30	S	A	-0.7980
31	T	A	-0.3471
32	Y	A	0.0000
33	N	A	-0.3415
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.5971
39	Q	A	-2.1255
40	A	A	-2.0410
41	P	A	-1.3456
42	G	A	-1.9049
43	K	A	-3.4220
44	E	A	-3.6819
45	R	A	-2.9819
46	E	A	-3.0568
47	F	A	-1.3773
48	V	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	N	A	-0.6872
53	W	A	-0.2677
54	T	A	-0.7549
55	G	A	-1.3663
56	R	A	-2.0230
57	S	A	-1.3235
58	A	A	-0.8901
59	D	A	-1.1002
60	Y	A	-1.2357
61	P	A	-1.7276
62	D	A	-2.6443
63	S	A	-1.6357
64	V	A	0.0000
65	K	A	-2.7759
66	G	A	-1.8158
67	R	A	-1.6748
68	F	A	0.0000
69	T	A	-0.9516
70	I	A	0.0000
71	S	A	-0.6510
72	R	A	-1.2213
73	D	A	-1.7056
74	N	A	-1.9155
75	A	A	-1.6381
76	K	A	-2.4575
77	N	A	-2.0266
78	A	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6212
81	L	A	0.0000
82	Q	A	-1.2329
83	M	A	0.0000
84	N	A	-1.4087
85	S	A	-1.1535
86	L	A	0.0000
87	K	A	-2.0767
88	P	A	-1.7552
89	E	A	-2.2377
90	D	A	0.0000
91	T	A	-0.8436
92	A	A	0.0000
93	V	A	-0.4014
94	Y	A	0.0000
95	Y	A	-0.5641
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	K	A	0.0000
100	R	A	-1.5778
101	Y	A	-0.3082
102	G	A	-1.0563
103	S	A	-1.8114
104	R	A	-2.4238
105	S	A	-1.8835
106	D	A	-2.0024
107	Y	A	-0.1826
108	S	A	-0.8862
109	W	A	-1.0170
110	N	A	-2.3597
111	D	A	-3.0560
112	Y	A	0.0000
113	D	A	-2.5561
114	S	A	0.0000
115	W	A	-0.6467
116	G	A	-0.8851
117	Q	A	-1.4882
118	G	A	0.0000
119	T	A	-1.0019
120	Q	A	-1.0952
121	V	A	0.0000
122	T	A	-0.1740
123	V	A	0.0000
124	S	A	-0.6997
125	S	A	-1.0306
126	G	A	-0.9521
127	A	A	-0.9557
128	A	A	-1.4705
129	E	A	-2.4679
130	P	A	-1.9640
131	E	A	-2.4341
132	A	A	-1.1883