Project name: aTfR_BF2_VHH_new_3

Chain sequence(s)	H: QVQLQESGGGEVQAGGSLRLSCAASGDISKYRFMGWYRQAPGKEREFVAGISRGSITYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAALLIGAGDSDDLLYYWGQGTQVTVSS
Selected Chain(s)	H
Distance of aggregation	5 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 H chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -2.2098
• Maximal score value: 1.969
• Average score: -0.349
• Total score value: -42.572

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	H	-1.1983
2	V	H	0.0000
3	Q	H	-1.1434
4	L	H	0.0000
5	Q	H	-1.1983
6	E	H	0.0000
7	S	H	-0.1937
8	G	H	-0.3804
9	G	H	-0.2328
11	G	H	-0.4851
12	E	H	-1.7911
13	V	H	-0.2500
14	Q	H	-1.1534
15	A	H	-0.2691
16	G	H	-0.5023
17	G	H	-0.2365
18	S	H	-0.2381
19	L	H	0.0308
20	R	H	-1.0008
21	L	H	0.0000
22	S	H	-0.0033
23	C	H	0.0000
24	A	H	0.0290
25	A	H	0.0000
26	S	H	-0.2370
27	G	H	-0.4631
28	D	H	-1.6450
29	I	H	0.0000
30	S	H	-0.4345
35	K	H	-1.6962
36	Y	H	-0.2929
37	R	H	-1.3604
38	F	H	-0.0401
39	M	H	0.0000
40	G	H	0.0000
41	W	H	0.0000
42	Y	H	0.2681
43	R	H	0.0000
44	Q	H	-0.4247
45	A	H	-0.0972
46	P	H	-0.3369
47	G	H	-0.7457
48	K	H	-1.7455
49	E	H	-2.2098
50	R	H	-1.2399
51	E	H	-0.3924
52	F	H	0.7801
53	V	H	0.0000
54	A	H	0.0000
55	G	H	0.0000
56	I	H	0.0000
57	S	H	-0.3332
58	R	H	-1.9325
59	G	H	-0.8339
63	S	H	0.0640
64	I	H	1.9690
65	T	H	0.4853
66	Y	H	0.8480
67	Y	H	0.4342
68	A	H	-0.2499
69	D	H	-1.9981
70	S	H	-0.5318
71	V	H	0.0000
72	K	H	-1.9666
74	G	H	-0.8322
75	R	H	-0.4306
76	F	H	0.0000
77	T	H	-0.0437
78	I	H	0.0000
79	S	H	-0.1170
80	R	H	-0.3080
81	D	H	-0.7419
82	N	H	-1.3487
83	A	H	-0.4660
84	K	H	-1.7432
85	N	H	-0.6044
86	T	H	-0.0581
87	V	H	0.0000
88	Y	H	0.2740
89	L	H	0.0000
90	Q	H	-0.4042
91	M	H	0.0000
92	N	H	-0.4872
93	S	H	-0.2863
94	L	H	0.0000
95	K	H	-1.5807
96	P	H	-0.6937
97	E	H	-1.8363
98	D	H	0.0000
99	T	H	-0.0154
100	A	H	0.0000
101	V	H	0.4034
102	Y	H	0.0000
103	Y	H	0.1357
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	L	H	0.0000
108	L	H	1.2194
109	I	H	0.5080
110	G	H	-0.3815
111	A	H	-0.0915
111A	G	H	-0.7928
112B	D	H	-1.9127
112A	S	H	-0.8656
112	D	H	-2.1630
113	D	H	-1.8442
114	L	H	1.2587
115	L	H	0.7063
116	Y	H	1.4051
117	Y	H	0.6298
118	W	H	0.5047
119	G	H	-0.2227
120	Q	H	-1.2149
121	G	H	0.0000
122	T	H	-0.1397
123	Q	H	-0.6532
124	V	H	0.0000
125	T	H	-0.2235
126	V	H	0.0000
127	S	H	-0.3008
128	S	H	-0.2380