Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGDSLRLSCAASGRTFSTTGMGWFRQAPGKEREFVAAVSWRSGNTYYADSVKGRFTISRDNAKTTVFLQMNSLKPEDTAVYYCAANPTGSYGAATSRYNYWGQGTQVTVSS
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -3.5118
• Maximal score value: 1.046
• Average score: -0.929
• Total score value: -115.1957

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	-1.7482
2	V	A	-1.5955
3	Q	A	-1.8540
4	L	A	0.0000
5	Q	A	-1.7483
6	E	A	0.0000
7	S	A	-1.0754
8	G	A	-0.9927
9	G	A	-0.8216
10	G	A	-0.0711
11	L	A	1.0460
12	V	A	-0.1630
13	Q	A	-1.4730
14	A	A	-1.7129
15	G	A	-1.7033
16	D	A	-1.7718
17	S	A	-1.5969
18	L	A	-1.1791
19	R	A	-2.0434
20	L	A	0.0000
21	S	A	-0.8215
22	C	A	0.0000
23	A	A	-1.0380
24	A	A	0.0000
25	S	A	-1.4873
26	G	A	-1.9310
27	R	A	-2.2626
28	T	A	-1.2531
29	F	A	0.0000
30	S	A	-1.2118
31	T	A	-0.8965
32	T	A	0.0000
33	G	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.3617
39	Q	A	-2.1969
40	A	A	-2.0626
41	P	A	-1.4410
42	G	A	-1.9658
43	K	A	-3.3492
44	E	A	-3.5118
45	R	A	-2.6630
46	E	A	-1.9179
47	F	A	-0.6938
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	V	A	0.0000
52	S	A	0.0000
53	W	A	-1.2148
54	R	A	-2.1245
55	S	A	-1.5994
56	G	A	-1.4426
57	N	A	-1.4562
58	T	A	-0.2620
59	Y	A	0.2374
60	Y	A	-0.4536
61	A	A	-1.2208
62	D	A	-2.3634
63	S	A	-1.8026
64	V	A	0.0000
65	K	A	-2.5373
66	G	A	-1.8064
67	R	A	-1.5334
68	F	A	0.0000
69	T	A	-0.7333
70	I	A	0.0000
71	S	A	-0.6382
72	R	A	-1.0638
73	D	A	-1.6741
74	N	A	-2.1009
75	A	A	-1.5885
76	K	A	-2.2561
77	T	A	-1.8215
78	T	A	0.0000
79	V	A	0.0000
80	F	A	-0.4841
81	L	A	0.0000
82	Q	A	-1.1719
83	M	A	0.0000
84	N	A	-1.6356
85	S	A	-1.4827
86	L	A	0.0000
87	K	A	-2.4810
88	P	A	-1.8820
89	E	A	-2.3245
90	D	A	0.0000
91	T	A	-0.9600
92	A	A	0.0000
93	V	A	-0.6601
94	Y	A	0.0000
95	Y	A	-0.6503
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	N	A	0.0000
100	P	A	-0.6501
101	T	A	-0.6602
102	G	A	-0.7149
103	S	A	-0.6297
104	Y	A	-0.2570
105	G	A	0.0160
106	A	A	-0.0539
107	A	A	-0.5625
108	T	A	-1.0130
109	S	A	-1.3460
110	R	A	-2.2039
111	Y	A	0.0000
112	N	A	-1.5087
113	Y	A	-0.6234
114	W	A	-0.3966
115	G	A	-0.9563
116	Q	A	-1.6172
117	G	A	-1.0890
118	T	A	0.0000
119	Q	A	-1.2055
120	V	A	0.0000
121	T	A	-0.2983
122	V	A	0.0000
123	S	A	-0.8225
124	S	A	-0.8451