Project name: 123

Chain sequence(s)	A: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:26)

• Minimal score value: -3.6199
• Maximal score value: 1.7113
• Average score: -0.5742
• Total score value: -68.9053

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	-1.4296
2	V	A	-0.7953
3	Q	A	-1.0754
4	L	A	0.0000
5	V	A	-0.0735
6	Q	A	0.0000
7	S	A	-0.3152
8	G	A	0.2167
9	V	A	1.7113
10	E	A	0.7696
11	V	A	1.2935
12	K	A	-0.6176
13	K	A	-1.7470
14	P	A	-1.6475
15	G	A	-1.4306
16	A	A	-1.4606
17	S	A	-1.8634
18	V	A	0.0000
19	K	A	-2.2278
20	V	A	0.0000
21	S	A	-0.6069
22	C	A	0.0000
23	K	A	-1.2538
24	A	A	0.0000
25	S	A	-0.9567
26	G	A	-0.9692
27	Y	A	-0.5267
28	T	A	-0.4271
29	F	A	0.0000
30	T	A	-0.8697
31	N	A	-1.2101
32	Y	A	-0.4143
33	Y	A	-0.1518
34	M	A	0.0000
35	Y	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-0.6482
40	A	A	-1.1040
41	P	A	-1.1815
42	G	A	-1.3484
43	Q	A	-1.7636
44	G	A	-1.0958
45	L	A	0.0508
46	E	A	-0.1551
47	W	A	0.4166
48	M	A	0.0000
49	G	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	N	A	-0.9620
53	P	A	-1.0354
54	S	A	-1.2357
55	N	A	-1.7075
56	G	A	-1.2301
57	G	A	-1.0243
58	T	A	-0.6789
59	N	A	-1.1058
60	F	A	-1.5285
61	N	A	-2.1535
62	E	A	-3.6102
63	K	A	-3.2967
64	F	A	0.0000
65	K	A	-3.6199
66	N	A	-3.0686
67	R	A	-2.5923
68	V	A	0.0000
69	T	A	-1.2142
70	L	A	0.0000
71	T	A	-0.3899
72	T	A	-0.8345
73	D	A	-1.1209
74	S	A	-0.7951
75	S	A	-0.6049
76	T	A	-0.7433
77	T	A	-0.8362
78	T	A	0.0000
79	A	A	0.0000
80	Y	A	-0.5389
81	M	A	0.0000
82	E	A	-1.8441
83	L	A	0.0000
84	K	A	-2.4769
85	S	A	-1.6414
86	L	A	0.0000
87	Q	A	-1.5396
88	F	A	0.0501
89	D	A	-1.2790
90	D	A	0.0000
91	T	A	-0.1920
92	A	A	0.0000
93	V	A	0.4556
94	Y	A	0.0000
95	Y	A	0.2727
96	C	A	0.0000
97	A	A	0.0000
98	R	A	0.0000
99	R	A	-0.1266
100	D	A	0.0000
101	Y	A	0.5614
102	R	A	-0.8055
103	F	A	0.4238
104	D	A	-0.6731
105	M	A	0.5247
106	G	A	0.0000
107	F	A	0.4324
108	D	A	0.2162
109	Y	A	0.3681
110	W	A	0.3205
111	G	A	-0.3039
112	Q	A	-0.9150
113	G	A	-0.1449
114	T	A	0.0000
115	T	A	0.6679
116	V	A	0.0000
117	T	A	0.4298
118	V	A	0.0000
119	S	A	-0.4405
120	S	A	-0.4108