Project name: F4F4

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSSQMSWFRQAPGKEREFVSAVTLVSRTHYADSVKGRFTISRDDSKNTLYLQMNSLRPEDTAMYYCVARAAWGTDYREQGYWGQGTQVTVSS
Selected Chain(s)	H
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 H 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                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -3.4189
• Maximal score value: 1.2878
• Average score: -0.7537
• Total score value: -91.2032

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	E	H	-1.9427
2	V	H	-0.8876
3	Q	H	-0.9548
4	L	H	0.0000
5	L	H	0.6478
6	E	H	-0.1363
7	S	H	-0.5347
8	G	H	-0.8687
9	G	H	-0.5573
11	G	H	0.2046
12	L	H	1.1275
13	V	H	0.0012
14	Q	H	-1.2889
15	P	H	-1.6542
16	G	H	-1.3747
17	G	H	-1.0706
18	S	H	-0.8767
19	L	H	-0.4248
20	R	H	-1.0618
21	L	H	0.0000
22	S	H	-0.1952
23	C	H	0.0000
24	A	H	-0.2057
25	A	H	0.0000
26	S	H	-0.8751
27	G	H	-1.0436
28	F	H	-0.3461
29	T	H	-0.5533
30	F	H	0.0000
35	S	H	-0.7004
36	S	H	-0.0597
37	S	H	0.0000
38	Q	H	-0.1894
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	F	H	0.6850
43	R	H	0.0000
44	Q	H	-1.4979
45	A	H	-1.6697
46	P	H	-1.2485
47	G	H	-1.7006
48	K	H	-2.7607
49	E	H	-2.9865
50	R	H	-1.9265
51	E	H	-0.8231
52	F	H	0.9092
53	V	H	0.0000
54	S	H	0.0000
55	A	H	-0.3173
56	V	H	0.0000
57	T	H	-0.1883
58	L	H	0.7545
59	V	H	1.2878
63	S	H	-0.3017
64	R	H	-1.5804
65	T	H	-1.1525
66	H	H	-1.5711
67	Y	H	-0.9946
68	A	H	-1.0338
69	D	H	-2.5251
70	S	H	-1.7643
71	V	H	0.0000
72	K	H	-2.5644
74	G	H	-1.6766
75	R	H	-1.5416
76	F	H	0.0000
77	T	H	-0.7493
78	I	H	0.0000
79	S	H	-0.2947
80	R	H	-1.1614
81	D	H	-1.8387
82	D	H	-2.2518
83	S	H	-1.8813
84	K	H	-2.5931
85	N	H	-1.9811
86	T	H	-1.1456
87	L	H	0.0000
88	Y	H	-0.1773
89	L	H	0.0000
90	Q	H	-0.6807
91	M	H	0.0000
92	N	H	-1.2003
93	S	H	-1.2226
94	L	H	0.0000
95	R	H	-2.2614
96	P	H	-1.8542
97	E	H	-2.3257
98	D	H	0.0000
99	T	H	-0.8238
100	A	H	0.0000
101	M	H	-0.4476
102	Y	H	0.0000
103	Y	H	0.1721
104	C	H	0.0000
105	V	H	0.1692
106	A	H	0.0000
107	R	H	-1.0671
108	A	H	-0.6567
109	A	H	-0.4104
110	W	H	0.2649
111	G	H	-0.7495
111A	T	H	-0.9835
112A	D	H	-2.3834
112	Y	H	-1.9599
113	R	H	-3.4189
114	E	H	-3.2783
115	Q	H	-2.2045
116	G	H	-1.4170
117	Y	H	-0.1558
118	W	H	0.4390
119	G	H	-0.0529
120	Q	H	-0.9121
121	G	H	-0.5012
122	T	H	-0.7190
123	Q	H	-0.7887
124	V	H	0.0000
125	T	H	-0.2356
126	V	H	0.0000
127	S	H	-0.6405
128	S	H	-0.8129