Project name: af3_design11

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGSASGIRSWGWFRQAPGQGLEAVAVISDTRPPEVSPRYDPSRFTISRDNSKNTLYLQMNSLRAEDTAVYYCASVPGLEAEANEPFRESWGQGTLVTVSS
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -2.8598
• Maximal score value: 1.7643
• Average score: -0.8427
• Total score value: -104.4981

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	-1.8046
2	V	A	-1.6320
3	Q	A	-1.3155
4	L	A	0.0000
5	V	A	0.5834
6	E	A	0.0000
7	S	A	-0.2950
8	G	A	-0.7794
9	G	A	0.1671
10	G	A	0.8667
11	L	A	1.4234
12	V	A	-0.0866
13	Q	A	-1.3848
14	P	A	-1.6668
15	G	A	-1.4540
16	G	A	-0.9562
17	S	A	-1.2009
18	L	A	-0.8887
19	R	A	-2.0891
20	L	A	0.0000
21	S	A	-0.4839
22	C	A	0.0000
23	A	A	-0.3636
24	A	A	-0.6456
25	S	A	-1.0374
26	G	A	-1.2929
27	S	A	-0.9888
28	A	A	0.0000
29	S	A	-0.9470
30	G	A	-1.0442
31	I	A	-1.1988
32	R	A	-1.6334
33	S	A	0.0000
34	W	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.4229
38	R	A	0.0153
39	Q	A	-0.4840
40	A	A	-0.9107
41	P	A	-1.1818
42	G	A	-1.2359
43	Q	A	-1.7024
44	G	A	-0.9218
45	L	A	0.2685
46	E	A	-0.4839
47	A	A	-0.1067
48	V	A	0.0000
49	A	A	0.0000
50	V	A	-0.2921
51	I	A	0.0000
52	S	A	-2.0848
53	D	A	-2.7628
54	T	A	-2.1525
55	R	A	-2.7655
56	P	A	-1.9401
57	P	A	-1.7234
58	E	A	-1.9485
59	V	A	-1.1352
60	S	A	-1.1634
61	P	A	-1.5393
62	R	A	-2.2240
63	Y	A	0.0000
64	D	A	-1.6479
65	P	A	-1.3215
66	S	A	-0.7358
67	R	A	0.0000
68	F	A	0.0000
69	T	A	-0.8387
70	I	A	0.0000
71	S	A	-0.7586
72	R	A	-1.6303
73	D	A	-2.1897
74	N	A	-2.5952
75	S	A	-2.0665
76	K	A	-2.7543
77	N	A	-2.2615
78	T	A	0.0000
79	L	A	0.0000
80	Y	A	-0.6711
81	L	A	0.0000
82	Q	A	-1.1619
83	M	A	0.0000
84	N	A	-1.3822
85	S	A	-1.2017
86	L	A	0.0000
87	R	A	-2.6061
88	A	A	-1.8700
89	E	A	-2.3614
90	D	A	0.0000
91	T	A	-0.4680
92	A	A	0.0000
93	V	A	0.9670
94	Y	A	0.0000
95	Y	A	0.4923
96	C	A	0.0000
97	A	A	0.0000
98	S	A	0.0000
99	V	A	-0.3238
100	P	A	-0.8162
101	G	A	-0.8467
102	L	A	0.0079
103	E	A	-1.9817
104	A	A	-1.8758
105	E	A	-2.8598
106	A	A	-2.0040
107	N	A	-2.4909
108	E	A	-2.7361
109	P	A	-1.7124
110	F	A	-1.4465
111	R	A	-2.5925
112	E	A	-2.2968
113	S	A	-1.3423
114	W	A	-0.3449
115	G	A	-0.1773
116	Q	A	-0.8824
117	G	A	0.0000
118	T	A	0.6211
119	L	A	1.7643
120	V	A	0.0000
121	T	A	0.3533
122	V	A	0.0000
123	S	A	-0.7195
124	S	A	-0.5313