Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGSVQAGGSLRLSCTASGGSEYSYSTFSLGWFRQAPGQEREAVCAIASMGGLTYYADSVKGRFTCSRDNAKNTVTLQMNNLKPEDTAIYYCAAVRGYFMRLPSSHNFRYWGQGTQVTVSS
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -3.2395
• Maximal score value: 1.4868
• Average score: -0.7991
• Total score value: -102.2876

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	-1.6958
2	V	A	-1.3376
3	Q	A	-1.4028
4	L	A	0.0000
5	V	A	0.0467
6	E	A	0.0000
7	S	A	-0.7558
8	G	A	-1.3133
9	G	A	-1.2191
10	G	A	-0.9603
11	S	A	-0.7202
12	V	A	-0.8198
13	Q	A	-1.8033
14	A	A	-2.0260
15	G	A	-1.9275
16	G	A	-1.4851
17	S	A	-1.5109
18	L	A	-1.2529
19	R	A	-2.1404
20	L	A	0.0000
21	S	A	-0.6840
22	C	A	0.0000
23	T	A	-0.5861
24	A	A	-0.5921
25	S	A	-0.8427
26	G	A	-1.5483
27	G	A	-1.4086
28	S	A	-1.3022
29	E	A	-2.1240
30	Y	A	-1.3072
31	S	A	-1.0778
32	Y	A	0.0000
33	S	A	-0.3027
34	T	A	-0.2029
35	F	A	0.0000
36	S	A	0.0000
37	L	A	0.0000
38	G	A	0.0000
39	W	A	0.0000
40	F	A	0.0000
41	R	A	-1.1948
42	Q	A	-1.8344
43	A	A	-1.7745
44	P	A	-1.2374
45	G	A	-1.7087
46	Q	A	-2.7986
47	E	A	-3.2395
48	R	A	-2.5302
49	E	A	-1.7956
50	A	A	-0.6409
51	V	A	0.0000
52	C	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	0.8627
58	G	A	0.0300
59	G	A	0.3250
60	L	A	1.0892
61	T	A	0.6038
62	Y	A	0.7199
63	Y	A	-0.2874
64	A	A	-1.0512
65	D	A	-2.3253
66	S	A	-1.7547
67	V	A	0.0000
68	K	A	-2.4798
69	G	A	-1.8412
70	R	A	-1.7104
71	F	A	0.0000
72	T	A	-0.7222
73	C	A	0.0000
74	S	A	-0.5237
75	R	A	-0.9846
76	D	A	-1.5828
77	N	A	-1.6374
78	A	A	-1.4656
79	K	A	-2.3032
80	N	A	-1.7088
81	T	A	-1.1529
82	V	A	0.0000
83	T	A	-0.7475
84	L	A	0.0000
85	Q	A	-1.0801
86	M	A	0.0000
87	N	A	-1.8881
88	N	A	-2.3964
89	L	A	0.0000
90	K	A	-3.0687
91	P	A	-2.0983
92	E	A	-2.4699
93	D	A	0.0000
94	T	A	-1.2187
95	A	A	0.0000
96	I	A	-0.4859
97	Y	A	0.0000
98	Y	A	-0.3450
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	V	A	0.0000
103	R	A	-1.7933
104	G	A	0.0449
105	Y	A	1.4868
106	F	A	1.2208
107	M	A	0.0000
108	R	A	-0.7438
109	L	A	0.8722
110	P	A	0.0000
111	S	A	-0.6787
112	S	A	-1.2804
113	H	A	-1.6275
114	N	A	-1.4660
115	F	A	0.0000
116	R	A	-2.1456
117	Y	A	-0.9440
118	W	A	-0.3147
119	G	A	-0.4095
120	Q	A	-1.1885
121	G	A	0.0000
122	T	A	0.0000
123	Q	A	-1.4132
124	V	A	0.0000
125	T	A	-1.0109
126	V	A	0.0000
127	S	A	-1.2158
128	S	A	-0.9239