Project name: H3-1

Chain sequence(s)	A: DVQLVESGGGLVQPGGSLKLSCAASGSIGGLNAMAWYRQAPGKERELVAGIFGVGSARYADSVKGRFTISRDNSKNTVYLQMNSLRPEDTAVYYCRMSSVTRGSSDYWGQGTLVTVSS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:09)

• Minimal score value: -3.7705
• Maximal score value: 1.7072
• Average score: -0.6964
• Total score value: -82.1782

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	D	A	-2.2421
2	V	A	0.0000
3	Q	A	-1.4174
4	L	A	0.0000
5	V	A	1.1007
6	E	A	0.4590
7	S	A	-0.2338
8	G	A	-0.7757
9	G	A	0.1240
10	G	A	0.6892
11	L	A	1.4294
12	V	A	-0.0562
13	Q	A	-1.3476
14	P	A	-1.5644
15	G	A	-1.3578
16	G	A	-0.9369
17	S	A	-1.2332
18	L	A	-0.8593
19	K	A	-1.9856
20	L	A	0.0000
21	S	A	-0.3203
22	C	A	0.0000
23	A	A	-0.1559
24	A	A	0.0000
25	S	A	-1.0959
26	G	A	-1.4862
27	S	A	-1.0976
28	I	A	-0.9828
29	G	A	-0.6629
30	G	A	-0.8069
31	L	A	0.0000
32	N	A	0.0218
33	A	A	0.0452
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	Y	A	-0.2671
38	R	A	0.0000
39	Q	A	-1.9734
40	A	A	-1.8387
41	P	A	-1.6417
42	G	A	-2.0013
43	K	A	-3.4688
44	E	A	-3.7705
45	R	A	-3.0210
46	E	A	-2.1550
47	L	A	-0.6373
48	V	A	0.0000
49	A	A	0.0000
50	G	A	0.0000
51	I	A	0.0000
52	F	A	0.1947
53	G	A	0.3533
54	V	A	1.4007
55	G	A	0.1719
56	S	A	-0.2295
57	A	A	-0.7208
58	R	A	-2.0615
59	Y	A	-1.6150
60	A	A	-1.6797
61	D	A	-2.6616
62	S	A	-1.7386
63	V	A	0.0000
64	K	A	-2.8807
65	G	A	-1.7760
66	R	A	-1.5834
67	F	A	0.0000
68	T	A	-1.0417
69	I	A	0.0000
70	S	A	-0.5429
71	R	A	-0.9797
72	D	A	-1.8462
73	N	A	-2.4343
74	S	A	-1.9287
75	K	A	-2.5974
76	N	A	-1.9918
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.4532
80	L	A	0.0000
81	Q	A	-1.2610
82	M	A	0.0000
83	N	A	-1.3972
84	S	A	-1.1551
85	L	A	0.0000
86	R	A	-2.1882
87	P	A	-1.8928
88	E	A	-2.3361
89	D	A	0.0000
90	T	A	-0.4519
91	A	A	0.0000
92	V	A	0.6462
93	Y	A	0.0000
94	Y	A	0.0821
95	C	A	0.0000
96	R	A	-0.4978
97	M	A	0.0000
98	S	A	-0.4684
99	S	A	0.0000
100	V	A	0.7353
101	T	A	-0.2011
102	R	A	-1.2631
103	G	A	-0.8479
104	S	A	-0.4831
105	S	A	-0.9373
106	D	A	-1.3619
107	Y	A	-0.8520
108	W	A	-0.1952
109	G	A	-0.2187
110	Q	A	-0.9299
111	G	A	0.0520
112	T	A	0.5987
113	L	A	1.7072
114	V	A	0.0000
115	T	A	0.3592
116	V	A	0.0000
117	S	A	-0.7484
118	S	A	-0.5057