Project name: CUR-TS-PCa001_VH_B7H3_IgC_novel

Chain sequence(s)	A: EVQLVESGGGLVQPGGSLRLSCAASGSSFSNYAWVRQAPGKGLEWVSISYDGSRTRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARARGGYYDYGSGFDYWGQGTLVTVSS
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                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -2.6916
• Maximal score value: 1.5548
• Average score: -0.6299
• Total score value: -70.5511

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	E	A	-2.2785
2	V	A	0.0000
3	Q	A	-1.4351
4	L	A	0.0000
5	V	A	1.2122
6	E	A	0.0000
7	S	A	-0.1599
8	G	A	-0.6534
9	G	A	0.1032
10	G	A	0.6557
11	L	A	1.3291
12	V	A	0.0000
13	Q	A	-1.3806
14	P	A	-1.6346
15	G	A	-1.3903
16	G	A	-0.9536
17	S	A	-1.2706
18	L	A	-1.0679
19	R	A	-2.1209
20	L	A	0.0000
21	S	A	-0.4294
22	C	A	0.0000
23	A	A	-0.0774
24	A	A	0.0000
25	S	A	-1.2156
26	G	A	-1.5388
27	S	A	-1.0265
28	S	A	-0.6530
29	F	A	0.0000
30	S	A	-0.4178
31	N	A	-0.3626
32	Y	A	0.0000
33	A	A	0.0000
34	W	A	0.0000
35	V	A	0.0000
36	R	A	-0.1923
37	Q	A	-0.6832
38	A	A	-1.1899
39	P	A	-1.2381
40	G	A	-1.4630
41	K	A	-2.2356
42	G	A	-1.1090
43	L	A	0.1486
44	E	A	-0.5455
45	W	A	0.4038
46	V	A	0.0000
47	S	A	-0.2906
48	I	A	0.0000
49	S	A	0.0000
50	Y	A	0.1978
51	D	A	-1.6539
52	G	A	-1.0763
53	S	A	-1.4373
54	R	A	-1.9445
55	T	A	-1.1209
56	R	A	-1.2176
57	F	A	0.0000
58	T	A	-1.2657
59	I	A	0.0000
60	S	A	-1.2959
61	R	A	-2.1993
62	D	A	-2.3345
63	N	A	-2.6442
64	S	A	-2.0675
65	K	A	-2.6916
66	N	A	-2.1821
67	T	A	0.0000
68	L	A	0.0000
69	Y	A	-0.8653
70	L	A	0.0000
71	Q	A	-1.2629
72	M	A	0.0000
73	N	A	-1.3532
74	S	A	-1.1831
75	L	A	0.0000
76	R	A	-2.3505
77	A	A	-1.7962
78	E	A	-2.2813
79	D	A	0.0000
80	T	A	-0.4883
81	A	A	0.0000
82	V	A	0.7501
83	Y	A	0.0000
84	Y	A	0.5335
85	C	A	0.0000
86	A	A	0.0000
87	R	A	-0.7171
88	A	A	0.0000
89	R	A	-2.4419
90	G	A	-1.5900
91	G	A	-0.5049
92	Y	A	1.0218
93	Y	A	0.8617
94	D	A	-1.4759
95	Y	A	-0.7638
96	G	A	-1.1483
97	S	A	-1.4271
98	G	A	-1.1519
99	F	A	-0.5382
100	D	A	-0.7550
101	Y	A	-0.3412
102	W	A	0.3342
103	G	A	-0.0145
104	Q	A	-0.6180
105	G	A	0.0000
106	T	A	0.6335
107	L	A	1.5548
108	V	A	0.0000
109	T	A	0.3169
110	V	A	0.0000
111	S	A	-0.5009
112	S	A	-0.8935