Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSCTASGGSEYSYSTFSCGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFTISRDNAKNTCTLQMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTQVTVSS
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                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)

• Minimal score value: -3.4109
• Maximal score value: 1.9991
• Average score: -0.8212
• Total score value: -105.1104

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	-1.4766
2	V	A	-1.0597
3	Q	A	-1.2872
4	L	A	0.0000
5	V	A	0.2144
6	E	A	-0.4750
7	S	A	-0.7951
8	G	A	-1.3316
9	G	A	-1.2183
10	G	A	-0.9349
11	S	A	-0.7067
12	V	A	-0.7531
13	Q	A	-1.7255
14	A	A	-1.8543
15	G	A	-1.7991
16	G	A	-1.4046
17	S	A	-1.4581
18	L	A	-1.2535
19	R	A	-2.1277
20	L	A	0.0000
21	S	A	-0.6579
22	C	A	0.0000
23	T	A	-0.4954
24	A	A	0.0000
25	S	A	-0.8490
26	G	A	-1.3575
27	G	A	-1.5063
28	S	A	-1.3115
29	E	A	-2.0145
30	Y	A	-1.4643
31	S	A	-1.3470
32	Y	A	0.0000
33	S	A	-0.8041
34	T	A	-0.5804
35	F	A	0.0000
36	S	A	0.0000
37	C	A	0.0000
38	G	A	0.0000
39	W	A	0.0000
40	F	A	0.0000
41	R	A	-1.3476
42	Q	A	-1.9457
43	A	A	-1.7835
44	P	A	-1.2485
45	G	A	-1.7392
46	Q	A	-2.8761
47	E	A	-3.4109
48	R	A	-2.9107
49	E	A	-1.9729
50	A	A	-0.6393
51	V	A	0.0000
52	A	A	0.0000
53	A	A	0.0000
54	I	A	0.0000
55	A	A	0.0000
56	S	A	0.0000
57	M	A	0.9018
58	G	A	0.0097
59	G	A	0.1257
60	L	A	0.8738
61	T	A	0.3861
62	Y	A	0.1589
63	Y	A	-0.5111
64	A	A	-1.3012
65	D	A	-2.3941
66	S	A	-1.8067
67	V	A	0.0000
68	K	A	-2.5438
69	G	A	-1.8654
70	R	A	-1.6862
71	F	A	0.0000
72	T	A	-0.7491
73	I	A	0.0000
74	S	A	-0.5843
75	R	A	-1.0707
76	D	A	-1.8154
77	N	A	-1.8292
78	A	A	-1.5186
79	K	A	-2.2943
80	N	A	-1.6252
81	T	A	-1.1344
82	C	A	0.0000
83	T	A	-0.7816
84	L	A	0.0000
85	Q	A	-1.0798
86	M	A	0.0000
87	N	A	-1.8140
88	N	A	-2.2695
89	L	A	0.0000
90	K	A	-2.5447
91	P	A	-1.8607
92	E	A	-2.3001
93	D	A	0.0000
94	T	A	-1.1015
95	A	A	0.0000
96	I	A	-0.4851
97	Y	A	0.0000
98	Y	A	0.0000
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	V	A	-1.1010
103	R	A	-1.7378
104	G	A	0.0990
105	Y	A	1.7493
106	F	A	1.9991
107	M	A	0.0000
108	R	A	-0.5541
109	L	A	0.6874
110	P	A	0.0227
111	S	A	-0.7316
112	S	A	-1.2739
113	H	A	-1.6428
114	N	A	-1.6694
115	F	A	0.0000
116	R	A	-2.1771
117	Y	A	-0.8554
118	W	A	-0.2873
119	G	A	-0.4328
120	Q	A	-1.1028
121	G	A	-0.7667
122	T	A	-0.9010
123	Q	A	-1.3022
124	V	A	0.0000
125	T	A	-0.9282
126	V	A	0.0000
127	S	A	-1.1365
128	S	A	-0.8477