Project name: CUR-TS-PCa001_VHH_B7H3_IgC_novel

Chain sequence(s)	A: QVQLQESGGGLVQAGGSLRLSCAASGSSFSNYAWFRQAPGKEREFVAAISYDGDRTRFTISRDNAKNTLYLQMNSLKPEDTAVYYCARAADGYYDSYGFDYWWGQGTQVTVSS
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -3.8698
• Maximal score value: 1.0145
• Average score: -0.8837
• Total score value: -99.8622

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	-1.6427
2	V	A	0.0000
3	Q	A	-1.9951
4	L	A	0.0000
5	Q	A	-1.7901
6	E	A	0.0000
7	S	A	-1.2309
8	G	A	-1.0419
9	G	A	-0.8474
10	G	A	-0.0563
11	L	A	1.0145
12	V	A	-0.0584
13	Q	A	-1.2870
14	A	A	-1.5733
15	G	A	-1.3928
16	G	A	-1.0397
17	S	A	-1.2087
18	L	A	-1.0087
19	R	A	-2.0609
20	L	A	0.0000
21	S	A	-0.9040
22	C	A	0.0000
23	A	A	-1.1524
24	A	A	0.0000
25	S	A	-1.3879
26	G	A	-1.2376
27	S	A	-0.8584
28	S	A	-0.4532
29	F	A	-0.0335
30	S	A	-0.5631
31	N	A	-1.0933
32	Y	A	0.0000
33	A	A	0.0000
34	W	A	0.0000
35	F	A	-0.2781
36	R	A	-1.4398
37	Q	A	-2.4153
38	A	A	-2.2540
39	P	A	-1.5131
40	G	A	-2.0463
41	K	A	-3.6056
42	E	A	-3.8698
43	R	A	-3.2827
44	E	A	-2.3245
45	F	A	0.1303
46	V	A	0.1881
47	A	A	0.0000
48	A	A	0.0000
49	I	A	0.2728
50	S	A	0.0862
51	Y	A	0.0153
52	D	A	-1.9831
53	G	A	-1.8430
54	D	A	-3.0867
55	R	A	-3.2022
56	T	A	-1.8882
57	R	A	-1.7099
58	F	A	-1.4751
59	T	A	-1.3759
60	I	A	-0.3572
61	S	A	-0.5200
62	R	A	-1.4439
63	D	A	-2.1882
64	N	A	-2.2221
65	A	A	-1.7948
66	K	A	-2.5904
67	N	A	-1.9362
68	T	A	0.0000
69	L	A	0.0000
70	Y	A	-0.6393
71	L	A	0.0000
72	Q	A	-1.2974
73	M	A	0.0000
74	N	A	-1.4687
75	S	A	-1.1969
76	L	A	0.0000
77	K	A	-2.6357
78	P	A	-2.0274
79	E	A	-2.3934
80	D	A	0.0000
81	T	A	-0.9985
82	A	A	0.0000
83	V	A	-0.6014
84	Y	A	0.0000
85	Y	A	-0.5142
86	C	A	0.0000
87	A	A	0.0000
88	R	A	0.0000
89	A	A	0.0000
90	A	A	0.0000
91	D	A	-1.7962
92	G	A	-0.7317
93	Y	A	0.6146
94	Y	A	0.8928
95	D	A	-0.1886
96	S	A	0.2664
97	Y	A	0.8400
98	G	A	0.2317
99	F	A	0.1205
100	D	A	-1.1287
101	Y	A	-0.3817
102	W	A	-0.0972
103	W	A	-0.1470
104	G	A	-0.9151
105	Q	A	-1.5217
106	G	A	-1.0318
107	T	A	-1.1325
108	Q	A	-1.0545
109	V	A	0.0000
110	T	A	-0.3371
111	V	A	0.0000
112	S	A	-0.8247
113	S	A	-0.9106