Project name: Fatma_Nb2_PLO

Chain sequence(s)	A: QVELVESGGGSVQAGGSLRLSCVGEGFSFEEYPVGWFRQAPGKGREGVVCIGGGNTWYDDSVAGRFAISSDTAKNTVFLQMNNQKPEDTALYFCARRVEYCAGDGCGRIARCGYYSGINFLGGGTQVTVS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:37)

• Minimal score value: -2.7964
• Maximal score value: 1.0048
• Average score: -0.7732
• Total score value: -100.5224

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	-1.7922
2	V	A	-1.2916
3	E	A	-2.0157
4	L	A	0.0000
5	V	A	0.2275
6	E	A	-0.0040
7	S	A	-0.6980
8	G	A	-1.1833
9	G	A	-1.2348
10	G	A	-0.9484
11	S	A	-0.7481
12	V	A	-0.8615
13	Q	A	-1.7314
14	A	A	-1.7838
15	G	A	-1.7813
16	G	A	-1.3793
17	S	A	-1.4728
18	L	A	-1.2310
19	R	A	-2.0793
20	L	A	0.0000
21	S	A	-0.3845
22	C	A	0.0000
23	V	A	-0.2803
24	G	A	0.0000
25	E	A	-2.3745
26	G	A	-1.7878
27	F	A	-1.3825
28	S	A	-1.7159
29	F	A	0.0000
30	E	A	-2.7964
31	E	A	-2.7058
32	Y	A	-1.2506
33	P	A	0.0000
34	V	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-1.8480
40	A	A	-1.7758
41	P	A	-1.2237
42	G	A	-1.6721
43	K	A	-2.7430
44	G	A	-2.3446
45	R	A	-2.2622
46	E	A	-1.9647
47	G	A	0.0000
48	V	A	0.0000
49	V	A	0.0000
50	C	A	0.0000
51	I	A	0.0410
52	G	A	-1.1140
53	G	A	-1.7401
54	G	A	-1.2151
55	N	A	-1.3842
56	T	A	-0.3368
57	W	A	-0.2959
58	Y	A	-0.4531
59	D	A	-1.8201
60	D	A	-2.1050
61	S	A	-1.4227
62	V	A	0.0000
63	A	A	-0.9034
64	G	A	-1.0412
65	R	A	-1.1860
66	F	A	0.0000
67	A	A	-0.3903
68	I	A	0.0000
69	S	A	-0.2048
70	S	A	-0.7030
71	D	A	-1.1485
72	T	A	-1.3364
73	A	A	-1.1762
74	K	A	-1.8270
75	N	A	-1.6314
76	T	A	0.0000
77	V	A	0.0000
78	F	A	-0.3916
79	L	A	0.0000
80	Q	A	-1.1747
81	M	A	0.0000
82	N	A	-1.8458
83	N	A	-2.2521
84	Q	A	0.0000
85	K	A	-2.4231
86	P	A	-1.8667
87	E	A	-2.3078
88	D	A	0.0000
89	T	A	-1.1574
90	A	A	0.0000
91	L	A	-0.5717
92	Y	A	0.0000
93	F	A	0.0000
94	C	A	0.0000
95	A	A	0.0000
96	R	A	0.0000
97	R	A	0.0000
98	V	A	0.2196
99	E	A	-0.3741
100	Y	A	1.0048
101	C	A	0.5914
102	A	A	0.0025
103	G	A	-1.0185
104	D	A	-1.9539
105	G	A	-1.0085
106	C	A	-0.0966
107	G	A	-0.7866
108	R	A	-1.9489
109	I	A	-1.1911
110	A	A	-0.9137
111	R	A	-1.7013
112	C	A	0.0000
113	G	A	-0.7548
114	Y	A	0.6686
115	Y	A	0.7605
116	S	A	0.3838
117	G	A	0.5340
118	I	A	0.6692
119	N	A	0.2051
120	F	A	0.6087
121	L	A	0.5997
122	G	A	0.0333
123	G	A	-0.4356
124	G	A	-0.4158
125	T	A	-0.7908
126	Q	A	-1.3795
127	V	A	0.0000
128	T	A	-1.0062
129	V	A	0.0000
130	S	A	-1.1212