Project name: CUR-TS-PCa001_VL_B7H3_IgC_novel

Chain sequence(s)	A: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSSPFTFGQGTKVEIK
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -2.7345
• Maximal score value: 1.7954
• Average score: -0.4912
• Total score value: -52.5587

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	D	A	-2.0081
2	I	A	-1.0964
3	Q	A	-1.7948
4	M	A	0.0000
5	T	A	-1.2933
6	Q	A	0.0000
7	S	A	-0.8807
8	P	A	-0.5934
9	S	A	-0.7666
10	S	A	-0.7800
11	L	A	-0.6834
12	S	A	-1.0939
13	A	A	-1.0681
14	S	A	-0.8807
15	V	A	-0.1754
16	G	A	-0.7947
17	D	A	-1.7901
18	R	A	-2.4189
19	V	A	0.0000
20	T	A	-0.6665
21	I	A	0.0000
22	T	A	-0.8129
23	C	A	0.0000
24	R	A	-2.7345
25	A	A	0.0000
26	S	A	-1.9075
27	Q	A	-1.9783
28	S	A	-0.9594
29	I	A	0.0000
30	S	A	-0.0821
31	S	A	0.3497
32	Y	A	1.4090
33	L	A	0.0000
34	N	A	0.6700
35	W	A	0.0000
36	Y	A	-0.0131
37	Q	A	0.0000
38	Q	A	-1.4722
39	K	A	-1.8895
40	P	A	-1.3125
41	G	A	-1.6447
42	K	A	-2.4889
43	A	A	-1.4865
44	P	A	-1.4165
45	K	A	-1.5997
46	L	A	-0.2113
47	L	A	0.0000
48	I	A	0.0000
49	Y	A	0.9949
50	A	A	0.6390
51	A	A	0.0000
52	S	A	-0.0103
53	S	A	0.2050
54	L	A	0.3332
55	Q	A	-0.3243
56	S	A	-0.4818
57	G	A	-0.6437
58	V	A	0.0000
59	P	A	-0.4456
60	S	A	-0.4596
61	R	A	-0.7879
62	F	A	0.0000
63	S	A	-0.2792
64	G	A	-0.1499
65	S	A	-0.5922
66	G	A	-0.8775
67	S	A	-0.7920
68	G	A	-0.9628
69	T	A	-1.6552
70	D	A	-2.0025
71	F	A	0.0000
72	T	A	-0.7209
73	L	A	0.0000
74	T	A	-0.5982
75	I	A	0.0000
76	S	A	-1.3489
77	S	A	-1.1641
78	L	A	0.0000
79	Q	A	-0.9602
80	P	A	-1.1308
81	E	A	-1.7344
82	D	A	0.0000
83	F	A	-0.7026
84	A	A	0.0000
85	T	A	-0.6969
86	Y	A	0.0000
87	Y	A	0.0919
88	C	A	0.0000
89	Q	A	1.0590
90	Q	A	0.0000
91	S	A	1.5191
92	Y	A	1.4161
93	S	A	0.5267
94	S	A	0.1880
95	P	A	0.4768
96	F	A	1.7954
97	T	A	0.8892
98	F	A	1.2830
99	G	A	0.0000
100	Q	A	-1.0857
101	G	A	0.0000
102	T	A	0.0000
103	K	A	-1.0955
104	V	A	0.0000
105	E	A	-1.3400
106	I	A	-0.9624
107	K	A	-1.6050