Project name: Nb_A

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGGSDFDFSNYSLGWFRQAPGQGLEAVAAINPLGQYTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAANENIPRNMFNPSDYQYWGQGTLVTVSS
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -2.9445
• Maximal score value: 1.7222
• Average score: -0.5875
• Total score value: -75.199

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	-1.8204
2	V	A	0.0000
3	Q	A	-1.1773
4	L	A	0.0000
5	V	A	0.8413
6	E	A	0.3365
7	S	A	-0.1914
8	G	A	-0.6908
9	G	A	0.1270
10	G	A	0.7124
11	L	A	1.4255
12	V	A	-0.0869
13	Q	A	-1.4186
14	P	A	-1.8515
15	G	A	-1.5948
16	G	A	-1.0764
17	S	A	-1.3360
18	L	A	-0.9079
19	R	A	-2.1248
20	L	A	0.0000
21	S	A	-0.4515
22	C	A	0.0000
23	A	A	-0.1894
24	A	A	0.0000
25	S	A	-1.0474
26	G	A	-1.7140
27	G	A	-1.7832
28	S	A	-1.5967
29	D	A	-2.3887
30	F	A	-2.0670
31	D	A	-2.4586
32	F	A	0.0000
33	S	A	-1.3687
34	N	A	-1.8575
35	Y	A	0.0000
36	S	A	0.0000
37	L	A	0.0000
38	G	A	0.0000
39	W	A	0.0000
40	F	A	0.0000
41	R	A	0.0000
42	Q	A	-0.6156
43	A	A	-0.9432
44	P	A	-0.9662
45	G	A	-1.2529
46	Q	A	-1.7920
47	G	A	-1.1446
48	L	A	-0.3270
49	E	A	-0.6255
50	A	A	0.0000
51	V	A	0.0000
52	A	A	0.0000
53	A	A	0.0000
54	I	A	0.0000
55	N	A	0.0000
56	P	A	0.0000
57	L	A	0.9764
58	G	A	0.1107
59	Q	A	-0.1602
60	Y	A	0.9857
61	T	A	0.4350
62	Y	A	0.5686
63	Y	A	-0.4269
64	A	A	-1.0628
65	D	A	-2.4807
66	S	A	-1.8385
67	V	A	0.0000
68	K	A	-2.6005
69	G	A	-1.7700
70	R	A	-1.5585
71	F	A	0.0000
72	T	A	-0.8094
73	I	A	0.0000
74	S	A	-0.4063
75	R	A	-0.9540
76	D	A	-1.8416
77	N	A	-2.1345
78	S	A	-1.7725
79	K	A	-2.4803
80	N	A	-1.9919
81	T	A	0.0000
82	L	A	0.0000
83	Y	A	-0.6291
84	L	A	0.0000
85	Q	A	-1.2725
86	M	A	0.0000
87	N	A	-1.5745
88	S	A	-1.4813
89	L	A	0.0000
90	R	A	-2.9445
91	A	A	-2.0246
92	E	A	-2.4747
93	D	A	0.0000
94	T	A	-0.4997
95	A	A	0.0000
96	V	A	0.8196
97	Y	A	0.0000
98	Y	A	0.3103
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	N	A	0.0000
103	E	A	-2.6212
104	N	A	-1.7736
105	I	A	0.3253
106	P	A	0.0000
107	R	A	-1.4883
108	N	A	-0.4172
109	M	A	0.0000
110	F	A	1.2883
111	N	A	-0.0582
112	P	A	-0.0827
113	S	A	-0.4017
114	D	A	0.0000
115	Y	A	0.0000
116	Q	A	-1.3844
117	Y	A	-0.6198
118	W	A	0.0382
119	G	A	-0.1493
120	Q	A	-0.9145
121	G	A	0.0373
122	T	A	0.5728
123	L	A	1.7222
124	V	A	0.0000
125	T	A	0.3340
126	V	A	0.0000
127	S	A	-0.7321
128	S	A	-0.4671