Project name: PLO_Nb3

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]                                                (00:00:00)
[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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -2.8638
• Maximal score value: 1.1364
• Average score: -0.8006
• Total score value: -104.0783

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	-1.8235
2	V	A	-1.4135
3	E	A	-2.0475
4	L	A	0.0000
5	V	A	0.1053
6	E	A	-0.0510
7	S	A	-0.6772
8	G	A	-1.1989
9	G	A	-1.2277
10	G	A	-0.9430
11	S	A	-0.7748
12	V	A	-0.8641
13	Q	A	-1.7166
14	A	A	-1.7728
15	G	A	-1.7574
16	G	A	-1.3755
17	S	A	-1.5355
18	L	A	-1.4272
19	R	A	-2.1996
20	L	A	0.0000
21	S	A	-0.4181
22	C	A	0.0000
23	V	A	-0.3153
24	G	A	0.0000
25	E	A	-2.4006
26	G	A	-1.8150
27	F	A	-1.4143
28	S	A	-1.7882
29	F	A	0.0000
30	E	A	-2.8638
31	E	A	-2.7647
32	Y	A	-1.3842
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	-1.6911
40	A	A	-1.7127
41	P	A	-1.4190
42	G	A	-1.6626
43	K	A	-2.6061
44	G	A	-2.0450
45	R	A	-1.7475
46	E	A	-1.1528
47	G	A	0.0000
48	V	A	0.0000
49	V	A	0.0000
50	C	A	0.0000
51	I	A	-0.0246
52	G	A	-1.4195
53	G	A	-1.8276
54	G	A	-1.4823
55	N	A	-1.6463
56	T	A	-0.7536
57	W	A	-0.5811
58	Y	A	-0.5601
59	D	A	-1.5582
60	D	A	-2.0239
61	S	A	-1.3843
62	V	A	0.0000
63	A	A	-0.8896
64	G	A	-1.0089
65	R	A	-1.2008
66	F	A	0.0000
67	A	A	-0.5228
68	I	A	0.0000
69	S	A	-0.2507
70	S	A	-0.6892
71	D	A	-1.1575
72	T	A	-1.3500
73	A	A	-1.1895
74	K	A	-1.8391
75	N	A	-1.6434
76	T	A	0.0000
77	V	A	0.0000
78	F	A	-0.4323
79	L	A	0.0000
80	Q	A	-1.4902
81	M	A	0.0000
82	N	A	-1.8001
83	N	A	-2.1878
84	Q	A	0.0000
85	K	A	-2.4146
86	P	A	-1.8750
87	E	A	-2.3420
88	D	A	0.0000
89	T	A	-1.1849
90	A	A	0.0000
91	L	A	-0.5375
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	0.0095
98	V	A	-0.0237
99	E	A	-0.4279
100	Y	A	1.0315
101	C	A	0.4200
102	A	A	-0.2077
103	G	A	-1.0505
104	D	A	-2.0196
105	G	A	-1.3973
106	C	A	-0.3481
107	G	A	-1.4362
108	R	A	-2.1907
109	I	A	-1.2335
110	A	A	-1.1568
111	R	A	-1.7237
112	C	A	0.0000
113	G	A	-0.5253
114	Y	A	0.8236
115	Y	A	1.1364
116	S	A	0.5260
117	G	A	0.3855
118	I	A	0.5722
119	N	A	0.1307
120	F	A	0.5734
121	L	A	0.4374
122	G	A	-0.0227
123	G	A	-0.4681
124	G	A	-0.4530
125	T	A	-0.7828
126	Q	A	-1.3748
127	V	A	0.0000
128	T	A	-0.9941
129	V	A	0.0000
130	S	A	-1.1191