Project name: af3_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]                                                (00:00:00)
[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                                          (00:01:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:00)

• Minimal score value: -3.7382
• Maximal score value: 1.7513
• Average score: -0.7512
• Total score value: -96.1599

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	-1.4541
2	V	A	-1.0989
3	Q	A	-1.2608
4	L	A	0.0000
5	V	A	0.7057
6	E	A	0.0000
7	S	A	-0.1485
8	G	A	-0.5728
9	G	A	0.1552
10	G	A	0.8159
11	L	A	1.3010
12	V	A	0.0000
13	Q	A	-1.4222
14	P	A	-1.6690
15	G	A	-1.4632
16	G	A	-1.0221
17	S	A	-1.3505
18	L	A	-1.0391
19	R	A	-2.0574
20	L	A	0.0000
21	S	A	-0.4647
22	C	A	0.0000
23	A	A	-0.2599
24	A	A	-0.5264
25	S	A	-0.6819
26	S	A	-1.1313
27	P	A	-1.8155
28	Q	A	-1.7031
29	W	A	0.0000
30	Q	A	-2.8231
31	K	A	-2.6919
32	S	A	-1.6738
33	K	A	-1.6227
34	F	A	0.3635
35	L	A	-0.1829
36	A	A	0.0000
37	G	A	0.0000
38	L	A	0.0000
39	W	A	0.0000
40	F	A	0.0000
41	R	A	-0.1985
42	Q	A	-0.5493
43	A	A	-0.9437
44	P	A	-1.1759
45	G	A	-1.2316
46	Q	A	-1.7234
47	G	A	-0.9772
48	L	A	0.1121
49	E	A	-0.6492
50	A	A	-0.8279
51	V	A	0.0000
52	A	A	0.0000
53	S	A	0.0000
54	Y	A	0.2609
55	G	A	0.0000
56	E	A	-1.1517
57	N	A	-1.9830
58	K	A	-2.9853
59	E	A	-2.7525
60	T	A	-1.4297
61	G	A	-1.1393
62	L	A	-0.1067
63	G	A	-0.1035
64	S	A	0.3716
65	I	A	0.2119
66	S	A	-0.6677
67	R	A	-1.9225
68	D	A	-1.2751
69	P	A	-0.9586
70	R	A	-1.1202
71	F	A	0.0000
72	T	A	-0.7116
73	I	A	0.0000
74	S	A	-0.4007
75	R	A	-1.1724
76	D	A	-2.0450
77	N	A	-2.6263
78	S	A	-2.0620
79	K	A	-2.5052
80	N	A	-2.1340
81	T	A	0.0000
82	L	A	0.0000
83	Y	A	-0.6170
84	L	A	0.0000
85	Q	A	-1.2562
86	M	A	0.0000
87	N	A	-1.4997
88	S	A	-1.2398
89	L	A	0.0000
90	R	A	-2.3853
91	A	A	-1.7690
92	E	A	-2.2747
93	D	A	0.0000
94	T	A	-0.4456
95	A	A	0.0000
96	V	A	0.8976
97	Y	A	0.0000
98	Y	A	0.4277
99	C	A	0.0000
100	A	A	0.0000
101	L	A	0.0000
102	G	A	0.0000
103	P	A	0.2207
104	R	A	-0.6406
105	L	A	0.0000
106	M	A	-2.0988
107	E	A	-3.1569
108	D	A	-3.7105
109	K	A	-3.7382
110	E	A	-3.5451
111	Q	A	0.0000
112	F	A	-1.3142
113	Q	A	-1.7420
114	L	A	-0.6916
115	A	A	-0.2374
116	T	A	-0.0671
117	H	A	-0.3517
118	W	A	0.1409
119	G	A	-0.2136
120	Q	A	-0.8429
121	G	A	0.0000
122	T	A	0.6312
123	L	A	1.7513
124	V	A	0.0000
125	T	A	0.3288
126	V	A	0.0000
127	S	A	-0.7816
128	S	A	-0.5709