Project name: af2_design4

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASSPQWQKSKFLAGLWFRQAPGQGLEAVASYGENKETGLGSISRDPRFTISRDNSKNTLYLQMNSLRAEDTAVYYCALGPRLMEDKEQFQLATHWGQGTLVTVSS
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.7388
• Maximal score value: 1.6445
• Average score: -0.7285
• Total score value: -93.2527

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	-1.3941
2	V	A	-1.0034
3	Q	A	-1.1256
4	L	A	0.0000
5	V	A	0.9526
6	E	A	0.3140
7	S	A	-0.1572
8	G	A	-0.7266
9	G	A	0.0740
10	G	A	0.8279
11	L	A	1.2951
12	V	A	0.0000
13	Q	A	-1.4786
14	P	A	-1.8098
15	G	A	-1.5994
16	G	A	-1.1759
17	S	A	-1.6259
18	L	A	-1.1786
19	R	A	-2.3374
20	L	A	0.0000
21	S	A	-0.5221
22	C	A	0.0000
23	A	A	-0.1840
24	A	A	-0.6093
25	S	A	-0.7461
26	S	A	0.0000
27	P	A	-1.6478
28	Q	A	-2.3012
29	W	A	0.0000
30	Q	A	-3.4095
31	K	A	-3.1753
32	S	A	-2.4133
33	K	A	-2.5528
34	F	A	-0.4429
35	L	A	-0.7804
36	A	A	-0.0156
37	G	A	0.0000
38	L	A	0.6424
39	W	A	0.0000
40	F	A	0.3154
41	R	A	-0.1024
42	Q	A	-0.4669
43	A	A	-0.9208
44	P	A	-1.0169
45	G	A	-1.1947
46	Q	A	-1.6510
47	G	A	-0.8068
48	L	A	0.4849
49	E	A	-0.4716
50	A	A	-0.2873
51	V	A	0.0000
52	A	A	0.0000
53	S	A	0.2865
54	Y	A	0.1387
55	G	A	0.0000
56	E	A	-2.2361
57	N	A	0.0000
58	K	A	-2.9415
59	E	A	-2.8481
60	T	A	-1.7113
61	G	A	-1.5724
62	L	A	-0.4346
63	G	A	-0.4417
64	S	A	0.1784
65	I	A	0.7544
66	S	A	-0.5901
67	R	A	-1.8976
68	D	A	-1.2966
69	P	A	-0.9929
70	R	A	-1.3244
71	F	A	0.0000
72	T	A	-0.9098
73	I	A	0.0000
74	S	A	-0.4660
75	R	A	-1.3922
76	D	A	-2.0580
77	N	A	-3.1534
78	S	A	-2.2880
79	K	A	-2.6352
80	N	A	-2.4469
81	T	A	0.0000
82	L	A	0.0000
83	Y	A	-0.7168
84	L	A	0.0000
85	Q	A	-1.7606
86	M	A	0.0000
87	N	A	-2.1888
88	S	A	-1.5620
89	L	A	0.0000
90	R	A	-2.6389
91	A	A	-1.8620
92	E	A	-2.3073
93	D	A	0.0000
94	T	A	-0.5128
95	A	A	0.0000
96	V	A	0.7502
97	Y	A	0.0000
98	Y	A	0.5091
99	C	A	0.0000
100	A	A	0.0000
101	L	A	0.0000
102	G	A	0.0000
103	P	A	0.3233
104	R	A	0.2297
105	L	A	0.2831
106	M	A	-0.3370
107	E	A	-2.6760
108	D	A	-3.6566
109	K	A	-3.7388
110	E	A	-3.3293
111	Q	A	-1.8861
112	F	A	0.7034
113	Q	A	0.2494
114	L	A	1.1559
115	A	A	0.0000
116	T	A	0.1034
117	H	A	-0.1764
118	W	A	0.2595
119	G	A	-0.1536
120	Q	A	-0.8737
121	G	A	0.0601
122	T	A	0.5457
123	L	A	1.6445
124	V	A	0.0000
125	T	A	0.2868
126	V	A	0.0000
127	S	A	-0.7538
128	S	A	-0.5226