Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCVGSGSMSSINGMGWYRQAPGREREFLAAISWSGGSTYYAGSVKGRSTISRDLAKNTGYLEMTRVKPEDTAVYYCAASETGLPYEYDYWGQGTQVTVSS
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                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:44)

• Minimal score value: -3.6793
• Maximal score value: 1.0115
• Average score: -0.7905
• Total score value: -94.8574

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	-1.3342
2	V	A	-1.0787
3	Q	A	-1.5663
4	L	A	0.0000
5	Q	A	-1.4133
6	E	A	0.0000
7	S	A	-1.0137
8	G	A	-1.1677
9	G	A	-0.9196
10	G	A	0.0629
11	L	A	1.0115
12	V	A	-0.0222
13	Q	A	-1.5066
14	A	A	-1.9264
15	G	A	-2.1178
16	G	A	-1.6413
17	S	A	-1.8546
18	L	A	0.0000
19	R	A	-2.4788
20	L	A	0.0000
21	S	A	-0.7592
22	C	A	0.0000
23	V	A	-0.3298
24	G	A	0.0000
25	S	A	-0.8980
26	G	A	-0.8811
27	S	A	-0.6769
28	M	A	0.0000
29	S	A	-0.5170
30	S	A	-0.8651
31	I	A	0.0000
32	N	A	-0.9773
33	G	A	-0.5646
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	0.0000
38	R	A	0.0000
39	Q	A	-2.2179
40	A	A	-2.1037
41	P	A	-1.5223
42	G	A	-2.0826
43	R	A	-3.5224
44	E	A	-3.6793
45	R	A	-2.9031
46	E	A	-1.6636
47	F	A	-0.1724
48	L	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	S	A	-0.2006
53	W	A	-0.3074
54	S	A	-0.3515
55	G	A	-0.5657
56	G	A	-0.6284
57	S	A	-0.2176
58	T	A	0.1970
59	Y	A	0.6122
60	Y	A	-0.0486
61	A	A	-0.4464
62	G	A	-0.9883
63	S	A	-0.8972
64	V	A	0.0000
65	K	A	-2.0502
66	G	A	-1.7237
67	R	A	-1.7762
68	S	A	0.0000
69	T	A	-0.9168
70	I	A	0.0000
71	S	A	-0.3898
72	R	A	-0.4152
73	D	A	-0.6490
74	L	A	-0.2204
75	A	A	-0.7084
76	K	A	-1.5973
77	N	A	-0.9215
78	T	A	-0.5281
79	G	A	0.0000
80	Y	A	-0.6372
81	L	A	0.0000
82	E	A	-1.9069
83	M	A	0.0000
84	T	A	-2.0410
85	R	A	-2.8159
86	V	A	0.0000
87	K	A	-3.0028
88	P	A	-2.0203
89	E	A	-2.4092
90	D	A	0.0000
91	T	A	-0.9952
92	A	A	0.0000
93	V	A	-0.7480
94	Y	A	0.0000
95	Y	A	-0.5874
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	S	A	0.0000
100	E	A	-1.9088
101	T	A	-1.1752
102	G	A	-0.5274
103	L	A	0.3107
104	P	A	0.3393
105	Y	A	0.4371
106	E	A	-1.4645
107	Y	A	-1.2643
108	D	A	-1.9917
109	Y	A	-1.0624
110	W	A	-0.4661
111	G	A	-0.8333
112	Q	A	-1.6187
113	G	A	-1.0703
114	T	A	-1.1568
115	Q	A	-1.2423
116	V	A	0.0000
117	T	A	-0.3425
118	V	A	0.0000
119	S	A	-0.7417
120	S	A	-0.8724