Project name: rfab4_nb2

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGPSGFDFSQYSLGWFRQAPGQGLEAVAAISADGKYTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAASTIDSSNFTNPANYEYWGQGTLVTVSS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)

• Minimal score value: -2.9194
• Maximal score value: 1.708
• Average score: -0.6726
• Total score value: -86.0918

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	-1.5329
2	V	A	-1.1338
3	Q	A	-1.2353
4	L	A	0.0000
5	V	A	0.8099
6	E	A	0.3392
7	S	A	-0.1966
8	G	A	-0.7059
9	G	A	0.1148
10	G	A	0.7104
11	L	A	1.4242
12	V	A	-0.0840
13	Q	A	-1.4421
14	P	A	-1.8252
15	G	A	-1.5605
16	G	A	-1.0584
17	S	A	-1.3143
18	L	A	-0.8995
19	R	A	-2.1309
20	L	A	0.0000
21	S	A	-0.4535
22	C	A	0.0000
23	A	A	-0.2325
24	A	A	0.0000
25	S	A	-1.0217
26	G	A	-1.2840
27	P	A	-1.0905
28	S	A	-0.8013
29	G	A	-0.7859
30	F	A	-0.9598
31	D	A	-1.6452
32	F	A	0.0000
33	S	A	-1.7559
34	Q	A	-1.8704
35	Y	A	-0.8924
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	-0.7604
43	A	A	-1.0148
44	P	A	-1.0031
45	G	A	-1.2797
46	Q	A	-1.8267
47	G	A	-1.1694
48	L	A	-0.3921
49	E	A	-0.9796
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	S	A	0.0000
56	A	A	-1.6672
57	D	A	-2.5922
58	G	A	-1.7075
59	K	A	-1.7209
60	Y	A	0.1102
61	T	A	0.2846
62	Y	A	0.0144
63	Y	A	-0.7587
64	A	A	0.0000
65	D	A	-2.4509
66	S	A	-1.7537
67	V	A	0.0000
68	K	A	-2.5859
69	G	A	-1.7536
70	R	A	-1.5237
71	F	A	0.0000
72	T	A	-0.8125
73	I	A	0.0000
74	S	A	-0.4129
75	R	A	-1.1580
76	D	A	-1.8848
77	N	A	-2.3988
78	S	A	-1.8186
79	K	A	-2.5169
80	N	A	-1.9892
81	T	A	0.0000
82	L	A	0.0000
83	Y	A	-0.6378
84	L	A	0.0000
85	Q	A	-1.2785
86	M	A	0.0000
87	N	A	-1.5307
88	S	A	-1.4116
89	L	A	0.0000
90	R	A	-2.9194
91	A	A	-2.0219
92	E	A	-2.4562
93	D	A	0.0000
94	T	A	-0.5112
95	A	A	0.0000
96	V	A	0.7840
97	Y	A	0.0000
98	Y	A	0.2835
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	S	A	0.0000
103	T	A	-0.1042
104	I	A	0.3796
105	D	A	-1.5601
106	S	A	-1.0252
107	S	A	-0.9283
108	N	A	-1.7325
109	F	A	0.0000
110	T	A	-1.0645
111	N	A	-1.4196
112	P	A	-0.8071
113	A	A	-0.5886
114	N	A	-0.7804
115	Y	A	0.0000
116	E	A	-0.6562
117	Y	A	-0.4242
118	W	A	0.0371
119	G	A	-0.1737
120	Q	A	-0.9313
121	G	A	0.0174
122	T	A	0.5778
123	L	A	1.7080
124	V	A	0.0000
125	T	A	0.3342
126	V	A	0.0000
127	S	A	-0.7348
128	S	A	-0.4788