Project name: Nb_1

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASPPVHPTTLAGWFRQAPGQGLEAVARKFLGEEEAELDPRRPGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCADSTGAGVTGPEAAQRSWGQGTLVTVSS
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -3.5962
• Maximal score value: 1.6315
• Average score: -0.6899
• Total score value: -85.5522

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	-1.6732
2	V	A	-1.0687
3	Q	A	-1.1649
4	L	A	0.0000
5	V	A	0.9949
6	E	A	0.3838
7	S	A	-0.2136
8	G	A	-0.7280
9	G	A	0.0630
10	G	A	0.6489
11	L	A	1.3139
12	V	A	0.0000
13	Q	A	-1.3915
14	P	A	-1.5995
15	G	A	-1.4526
16	G	A	-1.0436
17	S	A	-1.4992
18	L	A	-1.1271
19	R	A	-2.3471
20	L	A	0.0000
21	S	A	-0.5782
22	C	A	0.0000
23	A	A	-0.1967
24	A	A	0.0000
25	S	A	-0.6970
26	P	A	-0.9604
27	P	A	-1.1930
28	V	A	0.0000
29	H	A	-1.3134
30	P	A	-1.3031
31	T	A	-0.6599
32	T	A	0.0000
33	L	A	-0.0046
34	A	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	-0.4598
40	A	A	-0.8699
41	P	A	-0.9665
42	G	A	-1.2379
43	Q	A	-1.6848
44	G	A	-0.9079
45	L	A	0.2355
46	E	A	-0.2954
47	A	A	-0.2159
48	V	A	0.0000
49	A	A	0.0000
50	R	A	-0.9744
51	K	A	0.0000
52	F	A	-1.0182
53	L	A	0.0000
54	G	A	-2.1851
55	E	A	-3.2802
56	E	A	-3.5962
57	E	A	-3.5704
58	A	A	-2.3966
59	E	A	-2.0893
60	L	A	-1.2286
61	D	A	0.0000
62	P	A	-1.4132
63	R	A	-2.0268
64	R	A	0.0000
65	P	A	-1.0752
66	G	A	-1.1057
67	R	A	-1.2419
68	F	A	0.0000
69	T	A	-1.0065
70	I	A	0.0000
71	S	A	-1.3468
72	R	A	-1.6771
73	D	A	-1.9217
74	N	A	-2.4985
75	S	A	-1.8769
76	K	A	-2.4476
77	N	A	0.0000
78	T	A	0.0000
79	L	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.6507
83	M	A	0.0000
84	N	A	-2.0449
85	S	A	-1.4739
86	L	A	0.0000
87	R	A	-2.3630
88	A	A	-1.7211
89	E	A	-2.2249
90	D	A	0.0000
91	T	A	-0.3824
92	A	A	0.0000
93	V	A	0.9546
94	Y	A	0.0000
95	Y	A	0.4473
96	C	A	0.0000
97	A	A	0.0000
98	D	A	0.0000
99	S	A	0.0000
100	T	A	-0.8283
101	G	A	-0.6256
102	A	A	-0.0607
103	G	A	-0.1423
104	V	A	0.1098
105	T	A	-0.2145
106	G	A	-0.6779
107	P	A	-1.0577
108	E	A	-1.8519
109	A	A	0.0000
110	A	A	-1.0125
111	Q	A	-1.1493
112	R	A	-1.9227
113	S	A	-1.0760
114	W	A	-0.1055
115	G	A	-0.0908
116	Q	A	-0.6894
117	G	A	0.1082
118	T	A	0.6095
119	L	A	1.6315
120	V	A	0.0000
121	T	A	0.3691
122	V	A	0.0000
123	S	A	-0.7119
124	S	A	-0.5140