Project name: rfab2_nb2

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLRLSCAASGSMDFPFSSYSLGWFRQAPGQGLEAVAAISSDGKYTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAARESEAFNPLDPSRYDYWGQGTLVTVS
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                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -2.6511
• Maximal score value: 1.6886
• Average score: -0.7363
• Total score value: -93.5078

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	-1.4387
2	V	A	-1.1473
3	Q	A	-1.2624
4	L	A	0.0000
5	V	A	1.1450
6	E	A	0.0000
7	S	A	-0.1791
8	G	A	-0.6998
9	G	A	0.1024
10	G	A	0.8243
11	L	A	1.3995
12	V	A	0.0275
13	Q	A	-1.2115
14	P	A	-1.4574
15	G	A	-1.3383
16	G	A	-1.0815
17	S	A	-1.3109
18	L	A	-1.1437
19	R	A	-2.3505
20	L	A	0.0000
21	S	A	-0.5375
22	C	A	0.0000
23	A	A	-0.1973
24	A	A	-0.5294
25	S	A	-0.7928
26	G	A	-0.9760
27	S	A	-0.5582
28	M	A	0.1589
29	D	A	-0.9545
30	F	A	-0.0035
31	P	A	-0.3896
32	F	A	-0.7933
33	S	A	-1.1846
34	S	A	-1.0789
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	-0.8556
43	A	A	-1.1036
44	P	A	-1.1370
45	G	A	-1.3500
46	Q	A	-1.9003
47	G	A	-1.3368
48	L	A	-0.8171
49	E	A	-1.5625
50	A	A	-1.1597
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	S	A	-2.0132
57	D	A	-2.5329
58	G	A	-1.7583
59	K	A	-1.9719
60	Y	A	0.1084
61	T	A	0.2532
62	Y	A	-0.1942
63	Y	A	-1.0614
64	A	A	-1.4793
65	D	A	-2.3779
66	S	A	-1.7683
67	V	A	0.0000
68	K	A	-2.5163
69	G	A	-1.7148
70	R	A	-1.4090
71	F	A	0.0000
72	T	A	-1.0260
73	I	A	0.0000
74	S	A	-0.7880
75	R	A	-1.3370
76	D	A	-1.8590
77	N	A	-2.0462
78	S	A	-1.7893
79	K	A	-2.5290
80	N	A	-1.9533
81	T	A	0.0000
82	L	A	0.0000
83	Y	A	0.0000
84	L	A	0.0000
85	Q	A	-1.7786
86	M	A	0.0000
87	N	A	-1.4298
88	S	A	-1.1625
89	L	A	0.0000
90	R	A	-2.1448
91	A	A	-1.6184
92	E	A	-2.2107
93	D	A	0.0000
94	T	A	-0.4155
95	A	A	0.0000
96	V	A	0.7820
97	Y	A	0.0000
98	Y	A	0.3844
99	C	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	R	A	-2.3386
103	E	A	-2.6511
104	S	A	-2.1996
105	E	A	-1.8272
106	A	A	0.0000
107	F	A	1.3270
108	N	A	-0.5305
109	P	A	-0.9778
110	L	A	0.0000
111	D	A	-2.4987
112	P	A	-1.6609
113	S	A	-1.6025
114	R	A	-2.4680
115	Y	A	0.0000
116	D	A	-2.3523
117	Y	A	-1.3883
118	W	A	-0.2431
119	G	A	-0.0241
120	Q	A	-0.7886
121	G	A	0.0000
122	T	A	0.6662
123	L	A	1.6886
124	V	A	0.0000
125	T	A	0.4024
126	V	A	0.0000
127	S	A	-0.5014