Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSCAASGSISSITYLGWFRQAPGKEREGVAALSTSDGTTYYADSVKGRFTVSLDNAKNTVYLQMNSLKPEDTALYYCAAATYGIWYPLTWWAYGYWGQGTQVTV
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.1686
• Maximal score value: 2.2246
• Average score: -0.5838
• Total score value: -71.8027

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	-1.2879
2	V	A	-0.5989
3	Q	A	-0.8209
4	L	A	0.0000
5	V	A	0.9219
6	E	A	0.0000
7	S	A	-0.5001
8	G	A	-1.2089
9	G	A	-1.1796
10	G	A	-0.8758
11	S	A	-0.5719
12	V	A	-0.5397
13	Q	A	-1.3213
14	A	A	-1.3630
15	G	A	-1.2531
16	G	A	-1.0061
17	S	A	-1.3371
18	L	A	-1.2290
19	R	A	-2.3140
20	L	A	0.0000
21	S	A	-0.4068
22	C	A	0.0000
23	A	A	-0.2061
24	A	A	-0.3106
25	S	A	-0.6392
26	G	A	-1.0007
27	S	A	-0.9578
28	I	A	0.0000
29	S	A	-0.7340
30	S	A	-0.2441
31	I	A	0.0000
32	T	A	-0.1000
33	Y	A	-0.0312
34	L	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.0085
39	Q	A	-1.6990
40	A	A	-1.8127
41	P	A	-1.3265
42	G	A	-1.8800
43	K	A	-3.1660
44	E	A	-3.1686
45	R	A	-1.9002
46	E	A	-1.3616
47	G	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	L	A	0.0000
52	S	A	0.0000
53	T	A	-0.9350
54	S	A	-1.3179
55	D	A	-2.1261
56	G	A	-1.3195
57	T	A	-0.7841
58	T	A	-0.1388
59	Y	A	0.2892
60	Y	A	-0.5790
61	A	A	0.0000
62	D	A	-2.3785
63	S	A	-1.7651
64	V	A	0.0000
65	K	A	-2.5441
66	G	A	-1.8352
67	R	A	-1.6615
68	F	A	0.0000
69	T	A	-0.9860
70	V	A	0.0000
71	S	A	-0.3229
72	L	A	-0.5973
73	D	A	-1.5538
74	N	A	-2.1343
75	A	A	-1.6399
76	K	A	-2.3707
77	N	A	-1.8753
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.5503
81	L	A	0.0000
82	Q	A	-1.6324
83	M	A	0.0000
84	N	A	-1.9199
85	S	A	-1.3323
86	L	A	0.0000
87	K	A	-2.0449
88	P	A	-1.6603
89	E	A	-2.2066
90	D	A	0.0000
91	T	A	-0.9838
92	A	A	0.0000
93	L	A	-0.4401
94	Y	A	0.0000
95	Y	A	-0.1842
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	T	A	0.4812
101	Y	A	1.0094
102	G	A	0.5887
103	I	A	0.0000
104	W	A	1.7723
105	Y	A	2.2246
106	P	A	0.0000
107	L	A	1.2900
108	T	A	1.2135
109	W	A	1.0187
110	W	A	1.5472
111	A	A	0.0000
112	Y	A	0.0000
113	G	A	0.3292
114	Y	A	0.1694
115	W	A	0.3075
116	G	A	-0.0806
117	Q	A	-0.8739
118	G	A	0.0000
119	T	A	0.0000
120	Q	A	-1.2599
121	V	A	0.0000
122	T	A	-0.7456
123	V	A	-0.8248