Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSATASGGSEYSYSTFSCGWFRQAPGQEREAVAAIASMGGLTYYADSVKGRFTISRDNAKNTCTLQMNNLKPEDTAIYYVAAVRGYFMRLPSSHNFRYWGQGTQVTVSS
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.367
• Maximal score value: 2.0397
• Average score: -0.8066
• Total score value: -103.2498

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	-1.4653
2	V	A	-1.0056
3	Q	A	-1.3153
4	L	A	0.0000
5	V	A	0.0618
6	E	A	-0.6090
7	S	A	-0.8537
8	G	A	-1.3694
9	G	A	-1.2564
10	G	A	-0.9622
11	S	A	-0.7429
12	V	A	-0.8042
13	Q	A	-1.7664
14	A	A	-1.9592
15	G	A	-1.9159
16	G	A	-1.5119
17	S	A	-1.6540
18	L	A	-1.3752
19	R	A	-2.2328
20	L	A	0.0000
21	S	A	-0.7141
22	A	A	0.0000
23	T	A	-0.6567
24	A	A	0.0000
25	S	A	-0.9359
26	G	A	-1.3528
27	G	A	-1.4936
28	S	A	-1.3607
29	E	A	-2.0189
30	Y	A	-1.4941
31	S	A	-1.3522
32	Y	A	0.0000
33	S	A	-0.8848
34	T	A	-0.6686
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	-1.3512
42	Q	A	-1.9669
43	A	A	-1.8004
44	P	A	-1.2604
45	G	A	-1.7287
46	Q	A	-2.8549
47	E	A	-3.3670
48	R	A	-2.8339
49	E	A	-1.9166
50	A	A	-0.6020
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	0.8622
58	G	A	-0.0550
59	G	A	0.1782
60	L	A	1.0788
61	T	A	0.3205
62	Y	A	0.3697
63	Y	A	-0.5969
64	A	A	0.0000
65	D	A	-2.4018
66	S	A	-1.7752
67	V	A	0.0000
68	K	A	-2.5669
69	G	A	-1.9628
70	R	A	-1.9311
71	F	A	0.0000
72	T	A	-0.8923
73	I	A	0.0000
74	S	A	-0.5914
75	R	A	-1.0454
76	D	A	-1.7302
77	N	A	-1.8259
78	A	A	-1.4969
79	K	A	-2.2676
80	N	A	-1.6239
81	T	A	-1.1278
82	C	A	0.0000
83	T	A	-0.7865
84	L	A	0.0000
85	Q	A	-1.3286
86	M	A	0.0000
87	N	A	-2.3686
88	N	A	-2.5419
89	L	A	0.0000
90	K	A	-2.7215
91	P	A	-1.9107
92	E	A	-2.3257
93	D	A	0.0000
94	T	A	-1.1636
95	A	A	0.0000
96	I	A	-0.6239
97	Y	A	0.0000
98	Y	A	0.0000
99	V	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	V	A	0.0000
103	R	A	-1.7613
104	G	A	0.1318
105	Y	A	1.8074
106	F	A	2.0397
107	M	A	1.0749
108	R	A	-0.3749
109	L	A	0.9389
110	P	A	0.0000
111	S	A	-0.6010
112	S	A	-1.1306
113	H	A	-1.5897
114	N	A	-1.3483
115	F	A	0.0000
116	R	A	-2.1716
117	Y	A	-0.8227
118	W	A	-0.2871
119	G	A	-0.4636
120	Q	A	-1.1527
121	G	A	-0.8345
122	T	A	0.0000
123	Q	A	-1.3692
124	V	A	0.0000
125	T	A	-0.9980
126	V	A	0.0000
127	S	A	-1.2347
128	S	A	-0.8979