Project name: Atacicept

Chain sequence(s)	A: AMRSCPEEQYWDPLLGTCMSCKTICNHQSQRTCAAFCRSLSCRKEQGKFYDHLLRDCISCASICGQHPKQCAYFCENKLRS
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                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)

• Minimal score value: -3.9851
• Maximal score value: 1.91
• Average score: -1.1324
• Total score value: -91.7281

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
30	A	A	0.0052
31	M	A	0.1898
32	R	A	-1.3303
33	S	A	-0.9554
34	C	A	-1.0769
35	P	A	-1.7618
36	E	A	-2.7676
37	E	A	-2.9789
38	Q	A	-1.8175
39	Y	A	-0.5216
40	W	A	0.5081
41	D	A	0.7659
42	P	A	0.7791
43	L	A	1.9100
44	L	A	1.8207
45	G	A	0.6192
46	T	A	0.3432
47	C	A	-0.0826
48	M	A	0.0066
49	S	A	-1.1800
50	C	A	0.0000
51	K	A	-2.0804
52	T	A	-1.0891
53	I	A	-1.2063
54	C	A	-1.6199
55	N	A	-2.1590
56	H	A	-2.1913
57	Q	A	-2.3448
58	S	A	-2.0895
59	Q	A	-1.8487
60	R	A	-2.3004
61	T	A	-1.4128
62	C	A	0.0000
63	A	A	-1.3038
64	A	A	-1.8909
65	F	A	-1.5551
66	C	A	-1.1544
67	R	A	-1.9970
68	S	A	-1.9519
69	L	A	-1.7994
70	S	A	-1.9720
71	C	A	0.0000
72	R	A	-3.8873
73	K	A	-3.8400
74	E	A	-3.9851
75	Q	A	-3.0379
76	G	A	0.0000
77	K	A	-2.4657
78	F	A	-1.8722
79	Y	A	0.0000
80	D	A	-0.7794
81	H	A	-0.8840
82	L	A	0.8867
83	L	A	0.5239
84	R	A	-2.0073
85	D	A	-2.2378
86	C	A	-1.6901
87	I	A	-0.2567
88	S	A	-0.6199
89	C	A	0.0000
90	A	A	-0.2213
91	S	A	-0.2456
92	I	A	-0.2412
93	C	A	-0.5132
94	G	A	-1.1308
95	Q	A	-1.6196
96	H	A	-1.4958
97	P	A	-1.6493
98	K	A	-2.2731
99	Q	A	-2.0263
100	C	A	0.0000
101	A	A	-1.0415
102	Y	A	-0.0921
103	F	A	-0.7511
104	C	A	0.0000
105	E	A	-2.0310
106	N	A	-2.1126
107	K	A	-1.9600
108	L	A	-0.8310
109	R	A	-2.3296
110	S	A	-1.5187