Project name: ASG4SAS-141VHH

Chain sequence(s)	A: ASGGGGSASEVQLVESGGGLVQPGGSLRLSCAASLEHVAIGWFRQAPGKEREGVSCISSSGGHIHYADSVKGRFTISRDNSKNTVYLQMNSLRAEDTAVYYCAAAVSYWECYDKLDYWGQGTLVTVSSPP
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:01:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:23)

• Minimal score value: -2.3207
• Maximal score value: 1.7361
• Average score: -0.3158
• Total score value: -41.0497

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	A	A	0.0201
2	S	A	-0.2875
3	G	A	-0.5903
4	G	A	-0.6367
5	G	A	-0.6367
6	G	A	-0.5903
7	S	A	-0.2871
8	A	A	-0.0197
9	S	A	-0.5344
10	E	A	-1.8055
11	V	A	-0.2018
12	Q	A	-0.8888
13	L	A	0.0000
14	V	A	1.7361
15	E	A	0.0951
16	S	A	-0.2402
17	G	A	-0.3444
18	G	A	-0.2651
19	G	A	0.0670
20	L	A	1.5115
21	V	A	0.0000
22	Q	A	-1.2391
23	P	A	-0.5267
24	G	A	-0.5460
25	G	A	-0.1693
26	S	A	-0.1836
27	L	A	-0.1294
28	R	A	-1.8488
29	L	A	0.0000
30	S	A	-0.0111
31	C	A	0.0000
32	A	A	0.0260
33	A	A	-0.0286
34	S	A	-0.0887
35	L	A	0.3163
36	E	A	-1.8342
37	H	A	-1.1005
38	V	A	0.0000
39	A	A	0.0000
40	I	A	0.0000
41	G	A	0.0000
42	W	A	0.0000
43	F	A	0.2028
44	R	A	0.0000
45	Q	A	-0.5891
46	A	A	-0.1207
47	P	A	-0.3373
48	G	A	-0.8143
49	K	A	-2.1213
50	E	A	-2.3207
51	R	A	-1.5859
52	E	A	-1.2368
53	G	A	-0.2873
54	V	A	0.0000
55	S	A	0.0000
56	C	A	0.0000
57	I	A	0.0000
58	S	A	0.0000
59	S	A	0.0000
60	S	A	-0.2381
61	G	A	-0.2615
62	G	A	-0.6702
63	H	A	-0.8937
64	I	A	0.6501
65	H	A	-0.6474
66	Y	A	0.1206
67	A	A	-0.2601
68	D	A	-1.8187
69	S	A	-0.4967
70	V	A	0.0000
71	K	A	-1.7844
72	G	A	-0.8264
73	R	A	-0.3788
74	F	A	0.0000
75	T	A	-0.0475
76	I	A	0.0000
77	S	A	-0.1651
78	R	A	-0.4134
79	D	A	-0.8066
80	N	A	-1.4278
81	S	A	-0.7469
82	K	A	-1.7743
83	N	A	-0.6462
84	T	A	0.0000
85	V	A	0.0000
86	Y	A	0.1524
87	L	A	0.0000
88	Q	A	-0.6067
89	M	A	0.0000
90	N	A	-0.5764
91	S	A	-0.3461
92	L	A	0.0000
93	R	A	-1.6509
94	A	A	-0.5693
95	E	A	-1.8095
96	D	A	0.0000
97	T	A	-0.0162
98	A	A	0.0000
99	V	A	0.7460
100	Y	A	0.0000
101	Y	A	0.1285
102	C	A	0.0000
103	A	A	0.0000
104	A	A	0.0000
105	A	A	0.0000
106	V	A	1.7332
107	S	A	0.3653
108	Y	A	0.8555
109	W	A	1.0722
110	E	A	-1.0503
111	C	A	-0.0558
112	Y	A	0.2819
113	D	A	-1.6335
114	K	A	-1.9177
115	L	A	-0.4455
116	D	A	-1.6836
117	Y	A	0.1593
118	W	A	0.5751
119	G	A	-0.1849
120	Q	A	-1.2272
121	G	A	-0.2938
122	T	A	0.2570
123	L	A	1.6186
124	V	A	0.0000
125	T	A	0.1645
126	V	A	0.0000
127	S	A	-0.1631
128	S	A	-0.2819
129	P	A	-0.3396
130	P	A	-0.3011