Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAGSGRTFSSYNMGWFRQAPGKEREFVGGISWTGRSADYPDSVKGRFTISRDNAKNAVYLQMNSLKPEDTAVYYCAATQRGYSANQGVYADWGQGTQVTVSSGAAEPEA
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                                          (00:01:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:23)

• Minimal score value: -3.824
• Maximal score value: 1.4212
• Average score: -1.0017
• Total score value: -130.2249

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	-2.0426
2	V	A	0.0000
3	Q	A	-2.2082
4	L	A	0.0000
5	Q	A	-1.6250
6	E	A	0.0000
7	S	A	-1.1742
8	G	A	-1.0074
9	G	A	-0.8333
10	G	A	-0.0639
11	L	A	1.0492
12	V	A	-0.0220
13	Q	A	-1.3298
14	A	A	-1.5233
15	G	A	-1.3862
16	G	A	-0.9232
17	S	A	-1.2605
18	L	A	-1.0586
19	R	A	-2.1231
20	L	A	0.0000
21	S	A	-0.8297
22	C	A	0.0000
23	A	A	-1.1149
24	G	A	-1.5847
25	S	A	-1.6470
26	G	A	-2.1422
27	R	A	-2.5015
28	T	A	-1.2914
29	F	A	0.0000
30	S	A	-0.9931
31	S	A	-1.0094
32	Y	A	-0.8227
33	N	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	-0.8208
38	R	A	-1.7516
39	Q	A	-2.4209
40	A	A	-2.2201
41	P	A	-1.4452
42	G	A	-1.9538
43	K	A	-3.5240
44	E	A	-3.8240
45	R	A	-3.2689
46	E	A	-2.9871
47	F	A	-1.2722
48	V	A	0.0000
49	G	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	S	A	-0.9774
53	W	A	-0.7260
54	T	A	-0.7588
55	G	A	-1.2836
56	R	A	-2.0274
57	S	A	-1.3099
58	A	A	-0.9714
59	D	A	-1.2616
60	Y	A	-1.3168
61	P	A	-1.8093
62	D	A	-2.6155
63	S	A	-1.6410
64	V	A	0.0000
65	K	A	-2.7850
66	G	A	-1.8305
67	R	A	-1.4305
68	F	A	0.0000
69	T	A	-0.9512
70	I	A	0.0000
71	S	A	-0.6478
72	R	A	-1.1198
73	D	A	-1.4809
74	N	A	-1.6082
75	A	A	-1.3924
76	K	A	-2.3119
77	N	A	-1.8937
78	A	A	0.0000
79	V	A	0.0000
80	Y	A	-0.5557
81	L	A	0.0000
82	Q	A	-1.2240
83	M	A	0.0000
84	N	A	-1.4428
85	S	A	-1.2281
86	L	A	0.0000
87	K	A	-2.2026
88	P	A	-1.8473
89	E	A	-2.2655
90	D	A	0.0000
91	T	A	-0.9442
92	A	A	0.0000
93	V	A	-0.7298
94	Y	A	0.0000
95	Y	A	-0.6823
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	T	A	0.0000
100	Q	A	-1.3602
101	R	A	-2.1645
102	G	A	-1.0779
103	Y	A	-0.1386
104	S	A	-0.7340
105	A	A	-0.7575
106	N	A	-1.1037
107	Q	A	-1.0136
108	G	A	-0.0958
109	V	A	1.4212
110	Y	A	0.0000
111	A	A	0.3737
112	D	A	0.0000
113	W	A	-0.1855
114	G	A	-0.9631
115	Q	A	-1.6105
116	G	A	-1.0433
117	T	A	0.0000
118	Q	A	-1.2428
119	V	A	0.0000
120	T	A	-0.2752
121	V	A	0.0000
122	S	A	-0.8259
123	S	A	-1.1896
124	G	A	-1.2108
125	A	A	-1.3302
126	A	A	-1.3400
127	E	A	-2.4963
128	P	A	-1.9759
129	E	A	-2.4401
130	A	A	-1.2146