Project name: Nb_C

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGELDAPFSKYSLGWFRQAPGQGLEAVAAIDAETGKTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAANPSSAYDPLSPSQYDYWGQGTLVTVSS
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                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:50)

• Minimal score value: -2.9125
• Maximal score value: 1.6851
• Average score: -0.7736
• Total score value: -99.0228

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	-2.3385
2	V	A	-1.9953
3	Q	A	-1.5421
4	L	A	0.0000
5	V	A	0.3177
6	E	A	0.0235
7	S	A	-0.4449
8	G	A	-0.9340
9	G	A	-0.0098
10	G	A	0.6351
11	L	A	1.4088
12	V	A	-0.1238
13	Q	A	-1.4401
14	P	A	-1.8051
15	G	A	-1.5272
16	G	A	-1.0139
17	S	A	-1.3164
18	L	A	-0.9267
19	R	A	-2.1757
20	L	A	0.0000
21	S	A	-0.6395
22	C	A	0.0000
23	A	A	-0.4472
24	A	A	0.0000
25	S	A	-1.2498
26	G	A	-2.1201
27	E	A	-2.8721
28	L	A	-1.9430
29	D	A	-2.4860
30	A	A	-1.5613
31	P	A	-1.2708
32	F	A	0.0000
33	S	A	-1.8817
34	K	A	-2.7041
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	-0.6122
43	A	A	-0.9398
44	P	A	-0.9808
45	G	A	-1.2509
46	Q	A	-1.7667
47	G	A	-1.0669
48	L	A	-0.1013
49	E	A	-0.6587
50	A	A	-0.2513
51	V	A	0.0000
52	A	A	0.0000
53	A	A	0.0000
54	I	A	0.0000
55	D	A	0.0000
56	A	A	0.0000
57	E	A	-2.6758
58	T	A	-1.8533
59	G	A	-1.8876
60	K	A	-2.0538
61	T	A	-0.6463
62	Y	A	-0.2812
63	Y	A	-0.5053
64	A	A	-1.2100
65	D	A	-2.4493
66	S	A	-1.8039
67	V	A	0.0000
68	K	A	-2.5612
69	G	A	-1.7559
70	R	A	-1.5213
71	F	A	0.0000
72	T	A	-0.7633
73	I	A	0.0000
74	S	A	-0.8060
75	R	A	-1.4199
76	D	A	-2.0437
77	N	A	-2.5924
78	S	A	-1.9344
79	K	A	-2.5890
80	N	A	-1.9599
81	T	A	0.0000
82	L	A	0.0000
83	Y	A	-0.7103
84	L	A	0.0000
85	Q	A	-1.2559
86	M	A	0.0000
87	N	A	-1.5145
88	S	A	-1.3871
89	L	A	0.0000
90	R	A	-2.9125
91	A	A	-2.0228
92	E	A	-2.4646
93	D	A	0.0000
94	T	A	-0.5178
95	A	A	0.0000
96	V	A	0.8353
97	Y	A	0.0000
98	Y	A	0.2711
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	N	A	-1.1199
103	P	A	-1.3823
104	S	A	-0.9789
105	S	A	-0.9807
106	A	A	0.0000
107	Y	A	0.6021
108	D	A	-0.6590
109	P	A	0.0000
110	L	A	0.0882
111	S	A	-0.2752
112	P	A	-0.4984
113	S	A	-0.8304
114	Q	A	-0.8932
115	Y	A	0.0000
116	D	A	-1.7760
117	Y	A	-0.8988
118	W	A	-0.2528
119	G	A	-0.3284
120	Q	A	-1.0272
121	G	A	-0.0647
122	T	A	0.4781
123	L	A	1.6851
124	V	A	0.0000
125	T	A	0.3191
126	V	A	0.0000
127	S	A	-0.7398
128	S	A	-0.4845