Project name: CUR-TS-PCa001_VH_STEAP1_120e7_T1

Chain sequence(s)	A: EVQLVESGGGLVQPGGSLRLSCAASGFTFSNYAWVRQAPGKGLEWVSISYNGGRKREFTISRDNSKNTLYLQMNSLRAEDTAVYYCARARIYYGSSYFDYWWGQGTLVTVSS
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                                          (00:01:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:55)

• Minimal score value: -3.327
• Maximal score value: 2.4505
• Average score: -0.4025
• Total score value: -45.075

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	-1.9426
2	V	A	-0.9450
3	Q	A	-0.9972
4	L	A	0.0000
5	V	A	0.9952
6	E	A	0.0000
7	S	A	-0.1965
8	G	A	-0.5924
9	G	A	0.1386
10	G	A	0.6861
11	L	A	1.3340
12	V	A	0.0000
13	Q	A	-1.3665
14	P	A	-1.5915
15	G	A	-1.3710
16	G	A	-0.9456
17	S	A	-1.2827
18	L	A	-0.9901
19	R	A	-1.9304
20	L	A	0.0000
21	S	A	-0.4908
22	C	A	0.0000
23	A	A	-0.1183
24	A	A	0.0000
25	S	A	-0.6145
26	G	A	-0.4986
27	F	A	0.8810
28	T	A	0.1930
29	F	A	0.0000
30	S	A	-0.0165
31	N	A	0.2665
32	Y	A	0.0000
33	A	A	0.0000
34	W	A	0.0000
35	V	A	0.0000
36	R	A	-0.1048
37	Q	A	-0.6144
38	A	A	-1.1301
39	P	A	-1.0588
40	G	A	-1.4647
41	K	A	-2.1861
42	G	A	-1.0537
43	L	A	0.2428
44	E	A	-0.2328
45	W	A	0.5347
46	V	A	0.0000
47	S	A	0.0000
48	I	A	0.8933
49	S	A	0.3652
50	Y	A	0.8623
51	N	A	-0.8767
52	G	A	-1.4461
53	G	A	-1.9615
54	R	A	-3.3270
55	K	A	-2.9231
56	R	A	-2.3839
57	E	A	-2.0576
58	F	A	0.0000
59	T	A	-1.3757
60	I	A	-0.6941
61	S	A	-1.1627
62	R	A	-2.5207
63	D	A	-2.4961
64	N	A	-2.7133
65	S	A	-2.0948
66	K	A	-2.7073
67	N	A	-1.9420
68	T	A	0.0000
69	L	A	0.0000
70	Y	A	-0.8733
71	L	A	0.0000
72	Q	A	-1.1783
73	M	A	0.0000
74	N	A	-1.5037
75	S	A	-1.3187
76	L	A	0.0000
77	R	A	-2.1393
78	A	A	-1.6868
79	E	A	-2.1866
80	D	A	0.0000
81	T	A	-0.4458
82	A	A	0.0000
83	V	A	0.7128
84	Y	A	0.0000
85	Y	A	0.5176
86	C	A	0.0000
87	A	A	0.0000
88	R	A	-0.1670
89	A	A	0.0000
90	R	A	0.1065
91	I	A	1.8475
92	Y	A	2.4505
93	Y	A	1.8280
94	G	A	0.6456
95	S	A	0.9740
96	S	A	0.9881
97	Y	A	1.9665
98	F	A	2.2322
99	D	A	0.2813
100	Y	A	0.2930
101	W	A	-0.0092
102	W	A	0.2696
103	G	A	0.0239
104	Q	A	-0.6156
105	G	A	0.0000
106	T	A	0.5906
107	L	A	1.5449
108	V	A	0.0000
109	T	A	0.3365
110	V	A	0.0000
111	S	A	-0.6633
112	S	A	-0.8710