Project name: swiss_design4

Chain sequence(s)	A: VQLVESGGGLVQPGGSLRLSCAASSPQWQKSKFLAGLWFRQAPGQGLEAVASYGENKETGLGSISRDPRFTISRDNSKNTLYLQMNSLRAEDTAVYYCALGPRLMEDKEQFQLATHWGQGTLVTVSS
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -3.6554
• Maximal score value: 1.4791
• Average score: -0.6578
• Total score value: -83.545

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
2	V	A	0.9152
3	Q	A	-0.2935
4	L	A	0.0000
5	V	A	0.5578
6	E	A	0.0000
7	S	A	-0.3802
8	G	A	-0.6479
9	G	A	0.0295
10	G	A	0.5802
11	L	A	1.3570
12	V	A	-0.0274
13	Q	A	-1.3087
14	P	A	-1.5547
15	G	A	-1.3598
16	G	A	0.0000
17	S	A	-1.1926
18	L	A	-1.0193
19	R	A	-2.2016
20	L	A	0.0000
21	S	A	-0.5073
22	C	A	0.0000
23	A	A	-0.3620
24	A	A	0.0000
25	S	A	-0.4203
26	S	A	-0.2805
27	P	A	-0.9246
28	Q	A	-2.3627
29	W	A	0.0000
30	Q	A	-3.6554
31	K	A	-3.3884
32	S	A	0.0000
33	K	A	-2.5893
34	F	A	-1.2277
35	L	A	0.0000
36	A	A	0.0000
37	G	A	0.0000
38	L	A	0.4477
39	W	A	0.0000
40	F	A	0.4859
41	R	A	0.0000
42	Q	A	-0.2772
43	A	A	-0.8308
44	P	A	-0.7835
45	G	A	-1.1995
46	Q	A	-1.6335
47	G	A	-0.8374
48	L	A	0.3777
49	E	A	-0.3117
50	A	A	0.0539
51	V	A	0.0000
52	A	A	0.1818
53	S	A	0.0000
54	Y	A	0.0000
55	G	A	-1.8998
56	E	A	-3.4014
57	N	A	-3.6546
58	K	A	-3.6036
59	E	A	-3.2759
60	T	A	-1.7125
61	G	A	-0.7974
62	L	A	0.5687
63	G	A	0.0023
64	S	A	0.3503
65	I	A	1.1882
66	S	A	0.0509
67	R	A	0.0000
68	D	A	-1.1772
69	P	A	-0.9509
70	R	A	0.0000
71	F	A	-0.9442
72	T	A	-0.6569
73	I	A	-0.2431
74	S	A	-0.7308
75	R	A	0.0000
76	D	A	-1.7333
77	N	A	-2.5970
78	S	A	-1.6912
79	K	A	-2.5034
80	N	A	-2.3542
81	T	A	-1.1396
82	L	A	0.0000
83	Y	A	-0.5042
84	L	A	0.0000
85	Q	A	-1.3914
86	M	A	0.0000
87	N	A	-1.1884
88	S	A	-1.0506
89	L	A	0.0000
90	R	A	-2.2234
91	A	A	-1.7096
92	E	A	-2.2158
93	D	A	0.0000
94	T	A	-0.4376
95	A	A	0.0000
96	V	A	0.8195
97	Y	A	0.0000
98	Y	A	0.5998
99	C	A	0.0000
100	A	A	0.0000
101	L	A	0.0000
102	G	A	0.0000
103	P	A	0.0000
104	R	A	-1.2135
105	L	A	-1.0071
106	M	A	-0.7805
107	E	A	-2.3310
108	D	A	-2.1834
109	K	A	-2.8630
110	E	A	-2.7623
111	Q	A	-2.3069
112	F	A	-0.5394
113	Q	A	-0.9122
114	L	A	0.9913
115	A	A	0.7124
116	T	A	0.2236
117	H	A	0.1574
118	W	A	0.3451
119	G	A	-0.2726
120	Q	A	-0.9407
121	G	A	0.0500
122	T	A	0.4462
123	L	A	1.4791
124	V	A	0.0000
125	T	A	0.2867
126	V	A	0.0000
127	S	A	-0.7639
128	S	A	-0.5612