Project name: Nb_Hybrid

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGRTFSPYTWFRQAPGQGLEAVAIIGSDRSTDLDGDTRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAALTAKGYVFTDNEYDYWGQGTLVTVSS
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -2.9894
• Maximal score value: 1.5955
• Average score: -0.7135
• Total score value: -84.9022

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	-1.7994
2	V	A	-1.6834
3	Q	A	-1.3534
4	L	A	0.0000
5	V	A	1.1290
6	E	A	0.3914
7	S	A	-0.1712
8	G	A	-0.7063
9	G	A	0.1788
10	G	A	0.8575
11	L	A	1.4118
12	V	A	-0.1077
13	Q	A	-1.3995
14	P	A	-1.7064
15	G	A	-1.4966
16	G	A	-1.0437
17	S	A	-1.2416
18	L	A	-0.7528
19	R	A	-1.7713
20	L	A	0.0000
21	S	A	-0.3428
22	C	A	0.0000
23	A	A	-0.1031
24	A	A	0.0000
25	S	A	-1.4708
26	G	A	-1.9695
27	R	A	-2.3997
28	T	A	-1.5041
29	F	A	0.0000
30	S	A	-1.0266
31	P	A	0.0000
32	Y	A	0.0000
33	T	A	0.0000
34	W	A	0.0000
35	F	A	0.0000
36	R	A	-0.6070
37	Q	A	-0.9802
38	A	A	-1.1532
39	P	A	-1.1874
40	G	A	-1.3005
41	Q	A	-1.9506
42	G	A	-1.4292
43	L	A	-0.9500
44	E	A	-1.4573
45	A	A	-0.6615
46	V	A	0.0000
47	A	A	0.0000
48	I	A	0.0000
49	I	A	0.0000
50	G	A	0.0000
51	S	A	-2.0003
52	D	A	-2.9345
53	R	A	-2.9894
54	S	A	-1.7334
55	T	A	-1.1793
56	D	A	-1.4971
57	L	A	-1.3073
58	D	A	-2.3436
59	G	A	-1.6176
60	D	A	-1.2060
61	T	A	-0.7793
62	R	A	-0.6972
63	F	A	0.0000
64	T	A	-0.5778
65	I	A	0.0000
66	S	A	-0.8237
67	R	A	-1.5058
68	D	A	-1.8748
69	N	A	-2.3259
70	S	A	-1.8870
71	K	A	-2.5106
72	N	A	-2.1092
73	T	A	0.0000
74	L	A	0.0000
75	Y	A	-0.5441
76	L	A	0.0000
77	Q	A	-1.0337
78	M	A	0.0000
79	N	A	-1.3651
80	S	A	-1.2568
81	L	A	0.0000
82	R	A	-2.5372
83	A	A	-1.8278
84	E	A	-2.3319
85	D	A	0.0000
86	T	A	-0.4566
87	A	A	0.0000
88	V	A	0.7829
89	Y	A	0.0000
90	Y	A	0.2358
91	C	A	0.0000
92	A	A	0.0000
93	A	A	0.0000
94	L	A	0.0000
95	T	A	-1.0027
96	A	A	-0.8693
97	K	A	-1.7066
98	G	A	-0.1496
99	Y	A	1.2732
100	V	A	0.9058
101	F	A	1.5955
102	T	A	-0.2037
103	D	A	-1.6156
104	N	A	-2.4500
105	E	A	-2.6601
106	Y	A	0.0000
107	D	A	-2.0572
108	Y	A	-0.6399
109	W	A	-0.0192
110	G	A	-0.0455
111	Q	A	-0.6960
112	G	A	0.0882
113	T	A	0.6048
114	L	A	1.5852
115	V	A	0.0000
116	T	A	0.3639
117	V	A	0.0000
118	S	A	-0.6785
119	S	A	-0.5323