Project name: P2F9

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGSIFSINAMGWFRQAPGKERELVAAITSGGSTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCVDDSWYGYEYDYWGQGTQVTVSS
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)

• Minimal score value: -3.3197
• Maximal score value: 1.627
• Average score: -0.6118
• Total score value: -72.1973

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	-1.6459
2	V	A	-1.2091
3	Q	A	-1.0744
4	L	A	0.0000
5	V	A	1.0944
6	E	A	0.1797
7	S	A	-0.3591
8	G	A	-0.7846
9	G	A	-0.4802
11	G	A	0.2188
12	L	A	1.1590
13	V	A	0.0618
14	Q	A	-1.2021
15	A	A	-1.5692
16	G	A	-1.2833
17	G	A	-1.0537
18	S	A	-1.0845
19	L	A	-0.6918
20	R	A	-1.5003
21	L	A	0.0000
22	S	A	-0.3195
23	C	A	0.0000
24	A	A	-0.1406
25	A	A	-0.3782
26	S	A	-0.7689
27	G	A	-0.6994
28	S	A	-0.0862
29	I	A	0.0000
30	F	A	1.6270
35	S	A	0.9473
36	I	A	1.0191
37	N	A	0.5008
38	A	A	0.0588
39	M	A	0.0000
40	G	A	0.0000
41	W	A	0.0000
42	F	A	0.1158
43	R	A	0.0000
44	Q	A	-1.8144
45	A	A	-1.8714
46	P	A	-1.4558
47	G	A	-1.9077
48	K	A	-3.2236
49	E	A	-3.3197
50	R	A	-2.1533
51	E	A	-1.4902
52	L	A	-0.4321
53	V	A	0.0000
54	A	A	0.0000
55	A	A	-0.4689
56	I	A	0.0000
57	T	A	-0.6915
58	S	A	-0.1345
59	G	A	-0.6183
63	G	A	-0.8424
64	S	A	-0.8191
65	T	A	-0.8919
66	N	A	-1.6327
67	Y	A	-1.4625
68	A	A	-1.5684
69	D	A	-2.5968
70	S	A	-1.7006
71	V	A	0.0000
72	K	A	-2.8294
74	G	A	-1.7675
75	R	A	-1.5434
76	F	A	0.0000
77	T	A	-1.0056
78	I	A	0.0000
79	S	A	-0.4527
80	R	A	-0.7076
81	D	A	-1.0541
82	N	A	-0.7076
83	A	A	-0.9215
84	K	A	-2.1531
85	N	A	-1.1892
86	T	A	-0.8762
87	V	A	0.0000
88	Y	A	-0.4387
89	L	A	0.0000
90	Q	A	-1.0783
91	M	A	0.0000
92	N	A	-1.2265
93	S	A	-1.1062
94	L	A	0.0000
95	K	A	-2.0656
96	P	A	-1.7940
97	E	A	-2.2566
98	D	A	0.0000
99	T	A	-0.7856
100	A	A	0.0000
101	V	A	-0.2159
102	Y	A	0.0000
103	Y	A	-0.0254
104	C	A	0.0000
105	V	A	0.0000
106	D	A	0.0000
107	D	A	-0.1991
108	S	A	-0.0997
109	W	A	1.4384
110	Y	A	1.4974
112	G	A	0.1767
113	Y	A	0.6094
114	E	A	-1.2556
115	Y	A	-0.8220
116	D	A	-1.9144
117	Y	A	-1.0051
118	W	A	-0.0718
119	G	A	-0.0828
120	Q	A	-0.8530
121	G	A	-0.4156
122	T	A	-0.4574
123	Q	A	-0.4777
124	V	A	0.0000
125	T	A	-0.1406
126	V	A	0.0000
127	S	A	-0.6620
128	S	A	-0.8174