Project name: Nb48-1

Chain sequence(s)	A: QVQLVESGGLPVQAGGSLKLSCAASAGLRAGPIHYGWFRQAPGKEREGVAVESDDTALGFATYADSVKGRFTISQDNSKNTVYLQMNSLRPEDTAVYYCAASIRRCTWYHPTQYNYWGQGTQVTVSS
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                                          (00:02:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:20)

• Minimal score value: -3.6263
• Maximal score value: 1.2468
• Average score: -0.7406
• Total score value: -94.0509

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	-1.4150
2	V	A	-1.2060
3	Q	A	-0.9239
4	L	A	0.0000
5	V	A	0.9588
6	E	A	0.0000
7	S	A	-0.0973
8	G	A	-0.5077
9	G	A	-0.1730
10	L	A	0.8679
11	P	A	0.0558
12	V	A	-0.4517
13	Q	A	-1.6751
14	A	A	-1.6794
15	G	A	-1.3201
16	G	A	-1.0743
17	S	A	-1.2991
18	L	A	-0.8908
19	K	A	-1.9156
20	L	A	0.0000
21	S	A	-0.3984
22	C	A	0.0000
23	A	A	-0.1646
24	A	A	0.0000
25	S	A	-0.6219
26	A	A	-0.9186
27	G	A	-1.2362
28	L	A	-1.0974
29	R	A	-1.8029
30	A	A	-0.9844
31	G	A	-1.0846
32	P	A	-1.0907
33	I	A	-0.9113
34	H	A	0.0000
35	Y	A	0.0000
36	G	A	0.0000
37	W	A	0.0000
38	F	A	0.0000
39	R	A	0.0000
40	Q	A	-2.1755
41	A	A	-2.0375
42	P	A	-1.4116
43	G	A	-1.9521
44	K	A	-3.3775
45	E	A	-3.6263
46	R	A	-2.9219
47	E	A	-2.1789
48	G	A	0.0000
49	V	A	0.0000
50	A	A	0.0000
51	V	A	0.0000
52	E	A	-0.4634
53	S	A	0.0000
54	D	A	-1.2324
55	D	A	-0.5411
56	T	A	-0.0367
57	A	A	0.5067
58	L	A	1.2468
59	G	A	0.1226
60	F	A	0.3700
61	A	A	-0.0056
62	T	A	-0.1038
63	Y	A	-0.7413
64	A	A	0.0000
65	D	A	-2.5256
66	S	A	-1.8046
67	V	A	0.0000
68	K	A	-2.6467
69	G	A	-1.7749
70	R	A	-1.6114
71	F	A	0.0000
72	T	A	-0.9694
73	I	A	0.0000
74	S	A	-0.7526
75	Q	A	-1.4794
76	D	A	-2.1065
77	N	A	-2.5584
78	S	A	-1.9615
79	K	A	-2.5998
80	N	A	-1.8928
81	T	A	0.0000
82	V	A	0.0000
83	Y	A	-0.6774
84	L	A	0.0000
85	Q	A	-1.5495
86	M	A	0.0000
87	N	A	-1.4669
88	S	A	-1.1641
89	L	A	0.0000
90	R	A	-2.2528
91	P	A	-1.8736
92	E	A	-2.3010
93	D	A	0.0000
94	T	A	-1.1459
95	A	A	0.0000
96	V	A	-0.5808
97	Y	A	0.0000
98	Y	A	-0.2366
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	S	A	0.0000
103	I	A	-0.9461
104	R	A	-2.2200
105	R	A	-2.5015
106	C	A	0.0000
107	T	A	-0.2137
108	W	A	0.4394
109	Y	A	0.9199
110	H	A	-0.3049
111	P	A	-0.4632
112	T	A	-0.3912
113	Q	A	-1.0611
114	Y	A	0.0000
115	N	A	-0.9129
116	Y	A	-0.2841
117	W	A	0.0026
118	G	A	-0.1039
119	Q	A	-0.8582
120	G	A	0.0000
121	T	A	0.0000
122	Q	A	-0.8569
123	V	A	0.0000
124	T	A	-0.5893
125	V	A	0.0000
126	S	A	-1.2558
127	S	A	-0.9008