Project name: C11

Chain sequence(s)	H: DVQLQESGGGLVQPGGSLRLSCAASGFTFSSSQMSWVRRAPGKGLEWISAVTRDAGRTYYADSVKGRFTISGDNAKNTLYLQMNSLRPEDTAMYYCVARAAWDSGYREQGIWGQGTQVTVSS
Selected Chain(s)	H
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 H 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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -3.1816
• Maximal score value: 1.1617
• Average score: -0.7866
• Total score value: -95.967

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	H	-1.8752
2	V	H	-0.7690
3	Q	H	-1.6624
4	L	H	0.0000
5	Q	H	-1.6289
6	E	H	0.0000
7	S	H	-1.0195
8	G	H	-1.0087
9	G	H	-0.5658
11	G	H	0.2247
12	L	H	1.1617
13	V	H	0.0588
14	Q	H	-1.2632
15	P	H	-1.6353
16	G	H	-1.3131
17	G	H	-0.8608
18	S	H	-1.0472
19	L	H	-0.6174
20	R	H	-1.5035
21	L	H	0.0000
22	S	H	-0.5913
23	C	H	0.0000
24	A	H	-0.9519
25	A	H	0.0000
26	S	H	-1.1784
27	G	H	-0.9482
28	F	H	-0.0539
29	T	H	-0.4564
30	F	H	0.0000
35	S	H	-1.5966
36	S	H	-0.8307
37	S	H	0.0000
38	Q	H	-1.1733
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	R	H	-1.4597
45	A	H	0.0000
46	P	H	-1.4673
47	G	H	-1.5704
48	K	H	-2.3665
49	G	H	-1.3882
50	L	H	-0.2742
51	E	H	-0.5261
52	W	H	0.4002
53	I	H	0.0000
54	S	H	0.0000
55	A	H	0.0000
56	V	H	0.0000
57	T	H	0.0000
58	R	H	-2.9589
59	D	H	-3.1816
62	A	H	-2.3076
63	G	H	-1.9626
64	R	H	-2.3184
65	T	H	-0.7132
66	Y	H	0.2798
67	Y	H	-0.3718
68	A	H	-1.0742
69	D	H	-2.4252
70	S	H	-1.8327
71	V	H	0.0000
72	K	H	-2.5283
74	G	H	-1.7933
75	R	H	-1.6155
76	F	H	0.0000
77	T	H	-0.6923
78	I	H	0.0000
79	S	H	-0.7453
80	G	H	-1.5216
81	D	H	-1.9868
82	N	H	-2.3072
83	A	H	-1.4081
84	K	H	-2.2751
85	N	H	-1.6870
86	T	H	-1.1626
87	L	H	0.0000
88	Y	H	-0.2193
89	L	H	0.0000
90	Q	H	-1.0541
91	M	H	0.0000
92	N	H	-1.2758
93	S	H	-1.1970
94	L	H	0.0000
95	R	H	-2.2531
96	P	H	-1.8079
97	E	H	-2.3330
98	D	H	0.0000
99	T	H	-0.8968
100	A	H	0.0000
101	M	H	-0.4273
102	Y	H	0.0000
103	Y	H	-0.2501
104	C	H	0.0000
105	V	H	0.0000
106	A	H	0.0000
107	R	H	-0.7444
108	A	H	-0.4396
109	A	H	-0.2755
110	W	H	0.7472
111	D	H	-0.4630
111A	S	H	-0.2813
112A	G	H	-0.5338
112	Y	H	-0.0077
113	R	H	-1.5491
114	E	H	-2.2057
115	Q	H	-1.2765
116	G	H	-0.9442
117	I	H	-0.0871
118	W	H	-0.2064
119	G	H	-0.8550
120	Q	H	-1.4872
121	G	H	0.0000
122	T	H	-0.8607
123	Q	H	-0.7791
124	V	H	0.0000
125	T	H	-0.1841
126	V	H	0.0000
127	S	H	-0.6554
128	S	H	-0.8168