Project name: 2ND 1

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGYTITSIYVMGWFRQAPGQGLEAVAAISSSSSSSSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAADYDSSSSYASWSGFAYWGQGTLVTVSS
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                                          (00:01:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -2.9519
• Maximal score value: 1.7051
• Average score: -0.462
• Total score value: -59.1369

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	-1.4365
2	V	A	0.0000
3	Q	A	-1.0504
4	L	A	0.0000
5	V	A	1.1194
6	E	A	0.5005
7	S	A	-0.1249
8	G	A	-0.7153
9	G	A	0.0743
10	G	A	0.6505
11	L	A	1.3097
12	V	A	0.0000
13	Q	A	-1.5415
14	P	A	-1.8660
15	G	A	-1.5849
16	G	A	-1.0858
17	S	A	-1.3681
18	L	A	-0.9527
19	R	A	-2.1454
20	L	A	0.0000
21	S	A	-0.4078
22	C	A	0.0000
23	A	A	-0.1587
24	A	A	0.0000
25	S	A	-0.4746
26	G	A	-0.6449
27	Y	A	0.5370
28	T	A	-0.0961
29	I	A	0.0000
30	T	A	-0.3610
31	S	A	-0.1216
32	I	A	0.0000
33	Y	A	-0.2692
34	V	A	0.0000
35	M	A	0.0000
36	G	A	0.0000
37	W	A	0.0000
38	F	A	0.0000
39	R	A	0.0000
40	Q	A	-0.3648
41	A	A	-0.8256
42	P	A	-0.9835
43	G	A	-1.1873
44	Q	A	-1.6184
45	G	A	-0.7577
46	L	A	0.5416
47	E	A	-0.3208
48	A	A	0.1376
49	V	A	0.0000
50	A	A	0.0000
51	A	A	0.0000
52	I	A	0.0000
53	S	A	0.0000
54	S	A	-0.3428
55	S	A	-0.4161
56	S	A	-0.4353
57	S	A	-0.4983
58	S	A	-0.5450
59	S	A	-0.5061
60	S	A	-0.1793
61	T	A	0.1629
62	Y	A	0.2059
63	Y	A	-0.6151
64	A	A	0.0000
65	D	A	-2.4452
66	S	A	-1.8000
67	V	A	0.0000
68	K	A	-2.5613
69	G	A	-1.7709
70	R	A	-1.5629
71	F	A	0.0000
72	T	A	-0.7901
73	I	A	0.0000
74	S	A	-0.5406
75	R	A	-1.2028
76	D	A	-1.8914
77	N	A	-2.1919
78	S	A	-1.8722
79	K	A	-2.5551
80	N	A	-1.7937
81	T	A	0.0000
82	L	A	0.0000
83	Y	A	-0.6695
84	L	A	0.0000
85	Q	A	-1.2983
86	M	A	0.0000
87	N	A	-1.5861
88	S	A	-1.4701
89	L	A	0.0000
90	R	A	-2.9519
91	A	A	-2.0471
92	E	A	-2.4640
93	D	A	0.0000
94	T	A	-0.5340
95	A	A	0.0000
96	V	A	0.8827
97	Y	A	0.0000
98	Y	A	0.4653
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	D	A	0.0000
103	Y	A	-0.5327
104	D	A	-1.7541
105	S	A	-1.0549
106	S	A	-0.8937
107	S	A	-0.7076
108	S	A	-0.3238
109	Y	A	0.3438
110	A	A	0.1674
111	S	A	-0.0657
112	W	A	0.1749
113	S	A	-0.1263
114	G	A	-0.4068
115	F	A	0.0000
116	A	A	0.1363
117	Y	A	0.3470
118	W	A	0.4774
119	G	A	-0.0123
120	Q	A	-0.8342
121	G	A	0.1053
122	T	A	0.6158
123	L	A	1.7051
124	V	A	0.0000
125	T	A	0.2698
126	V	A	0.0000
127	S	A	-0.8218
128	S	A	-0.5326