Project name: F2F2

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCAASGFTFSSSQMSWFRQAPGKEREFISAVTLVSRTHYADSVKGRFTISRDNAKNTLYLQMNSLKAEDTAMYYCVARAAWGTDYREQGYWGQGTQVTVSS
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                                          (00:02:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:28)

• Minimal score value: -3.7789
• Maximal score value: 1.7616
• Average score: -0.7896
• Total score value: -95.5356

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	-2.1162
2	V	H	-1.2185
3	Q	H	-1.2492
4	L	H	0.0000
5	L	H	0.8566
6	E	H	-0.1926
7	S	H	-0.5868
8	G	H	-0.9877
9	G	H	-0.7948
11	G	H	0.1401
12	L	H	1.0071
13	V	H	0.0008
14	Q	H	-1.3340
15	P	H	-1.5740
16	G	H	-1.3720
17	G	H	0.0000
18	S	H	-1.1668
19	L	H	-0.9779
20	R	H	-2.1201
21	L	H	0.0000
22	S	H	-0.4430
23	C	H	0.0000
24	A	H	-0.1216
25	A	H	0.0000
26	S	H	-0.7981
27	G	H	-1.1541
28	F	H	-0.4647
29	T	H	-0.1545
30	F	H	0.0000
35	S	H	0.0611
36	S	H	0.4970
37	S	H	0.0527
38	Q	H	0.0897
39	M	H	0.0000
40	S	H	0.0000
41	W	H	0.0000
42	F	H	-0.6209
43	R	H	-1.4814
44	Q	H	-2.2295
45	A	H	-2.1187
46	P	H	-1.4578
47	G	H	-1.8638
48	K	H	-3.4381
49	E	H	-3.7789
50	R	H	-3.0991
51	E	H	-2.7714
52	F	H	-0.7134
53	I	H	0.0000
54	S	H	0.0000
55	A	H	0.0000
56	V	H	0.0000
57	T	H	0.3279
58	L	H	1.6012
59	V	H	1.7616
63	S	H	0.0995
64	R	H	-1.4153
65	T	H	-1.2836
66	H	H	-1.7173
67	Y	H	-1.3839
68	A	H	-1.8046
69	D	H	-2.6919
70	S	H	-2.0407
71	V	H	0.0000
72	K	H	-2.8261
74	G	H	-1.7214
75	R	H	-1.6791
76	F	H	0.0000
77	T	H	-1.0093
78	I	H	0.0000
79	S	H	-0.7503
80	R	H	-0.9156
81	D	H	-1.7405
82	N	H	-2.0169
83	A	H	-1.6596
84	K	H	-2.4054
85	N	H	-1.8397
86	T	H	-1.0741
87	L	H	0.0000
88	Y	H	-0.6269
89	L	H	0.0000
90	Q	H	-1.3300
91	M	H	0.0000
92	N	H	-1.4742
93	S	H	-1.2790
94	L	H	0.0000
95	K	H	-2.1784
96	A	H	-1.6369
97	E	H	-2.2216
98	D	H	0.0000
99	T	H	-0.9231
100	A	H	0.0000
101	M	H	-0.6914
102	Y	H	0.0000
103	Y	H	-0.0892
104	C	H	0.0000
105	V	H	0.0000
106	A	H	0.0000
107	R	H	-0.6766
108	A	H	-0.6479
109	A	H	-0.7126
110	W	H	-0.4753
111	G	H	-0.7135
111A	T	H	-1.0586
112A	D	H	-1.5990
112	Y	H	-0.4361
113	R	H	0.0000
114	E	H	-1.9491
115	Q	H	-1.5992
116	G	H	-0.7442
117	Y	H	0.1310
118	W	H	0.4560
119	G	H	-0.1224
120	Q	H	-0.9467
121	G	H	-0.6579
122	T	H	-0.8781
123	Q	H	-1.1359
124	V	H	0.0000
125	T	H	-0.2958
126	V	H	0.0000
127	S	H	-0.6612
128	S	H	-0.4822