Project name: IL1B

Chain sequence(s)	A: VRSLNCGLRDSQQKSLVMSGPYELKALHLQGQDMEQQVVFSMSFVQGEESNDKIPVALGLKEKNLYLSCVLKDDKPTLQLESVDPKNYPKKKMEKRFVFNKIEINKLEFESAQFPNWYISTSQAENMPVFLGGTKGGQDITDFTMQFVSS
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                                          (00:02:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:29)

• Minimal score value: -3.7838
• Maximal score value: 2.1757
• Average score: -1.016
• Total score value: -152.4004

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
3	V	A	-0.0374
4	R	A	-0.9927
5	S	A	-0.5681
6	L	A	-0.3119
7	N	A	-0.0639
8	C	A	0.0000
9	G	A	0.0000
10	L	A	0.0000
11	R	A	-0.8777
12	D	A	0.0000
13	S	A	-1.1305
14	Q	A	-1.4941
15	Q	A	-1.8018
16	K	A	0.0000
17	S	A	0.0000
18	L	A	0.0000
19	V	A	-0.5122
20	M	A	-0.0505
21	S	A	-0.4380
22	G	A	-0.2878
23	P	A	-0.1196
24	Y	A	0.4796
25	E	A	-0.5524
26	L	A	0.0000
27	K	A	-0.7921
28	A	A	0.0000
29	L	A	0.0000
30	H	A	-2.0492
31	L	A	0.0000
32	Q	A	-2.6208
33	G	A	-2.0061
34	Q	A	-2.3433
35	D	A	-2.3236
36	M	A	-1.5928
37	E	A	-2.6644
38	Q	A	-1.9099
39	Q	A	-0.6854
40	V	A	-0.1211
41	V	A	0.0772
42	F	A	0.0000
43	S	A	-0.8519
44	M	A	0.0000
45	S	A	0.0000
46	F	A	-0.4041
47	V	A	-1.6615
48	Q	A	-2.6255
49	G	A	-2.7116
50	E	A	-3.3841
51	E	A	-3.7838
52	S	A	-2.9483
53	N	A	-3.1754
54	D	A	-3.1903
55	K	A	-2.9675
56	I	A	-2.0393
57	P	A	0.0000
58	V	A	0.0000
59	A	A	0.0000
60	L	A	0.0000
61	G	A	0.0000
62	L	A	0.0000
63	K	A	-2.4636
64	E	A	-3.1354
65	K	A	-2.7640
66	N	A	-2.5812
67	L	A	0.0000
68	Y	A	0.0000
69	L	A	0.0000
70	S	A	0.0000
71	C	A	0.0000
72	V	A	-0.3197
73	L	A	-0.5376
74	K	A	-2.5298
75	D	A	-3.4386
76	D	A	-3.4354
77	K	A	-2.9878
78	P	A	-1.1067
79	T	A	-0.5972
80	L	A	-0.1229
81	Q	A	-0.1947
82	L	A	0.0000
83	E	A	-0.3619
84	S	A	-0.7292
85	V	A	-1.1969
86	D	A	-1.8643
87	P	A	-2.4641
88	K	A	-2.8403
89	N	A	-2.8058
90	Y	A	-2.0245
91	P	A	-1.7031
92	K	A	-2.2887
93	K	A	-2.6673
94	K	A	-2.8953
95	M	A	-2.3242
96	E	A	-2.2651
97	K	A	-2.5169
98	R	A	-1.4328
99	F	A	0.0000
100	V	A	0.0000
101	F	A	0.0000
102	N	A	-1.4080
103	K	A	-1.0290
104	I	A	-1.3640
105	E	A	-2.1656
106	I	A	-0.0506
108	N	A	-1.3642
109	K	A	-1.3591
110	L	A	0.0000
111	E	A	0.0000
112	F	A	0.0000
113	E	A	-0.7045
114	S	A	0.0000
115	A	A	-1.3284
116	Q	A	-1.3788
117	F	A	-0.5319
118	P	A	-0.9475
119	N	A	-1.7259
120	W	A	-1.0996
121	Y	A	0.0000
122	I	A	0.0000
123	S	A	0.0000
124	T	A	0.0000
125	S	A	-1.1837
126	Q	A	-1.6820
127	A	A	-1.2841
128	E	A	-1.8008
129	N	A	-1.7003
130	M	A	-0.6871
131	P	A	-0.5070
132	V	A	0.0000
133	F	A	0.2147
134	L	A	0.0000
135	G	A	-0.9099
136	G	A	-1.4984
137	T	A	-1.7849
138	K	A	-2.6544
139	G	A	-1.9418
140	G	A	-1.7981
141	Q	A	-2.2086
142	D	A	-1.9151
143	I	A	0.0000
144	T	A	0.0000
145	D	A	-1.2126
146	F	A	0.0000
147	T	A	-0.7274
148	M	A	0.4303
149	Q	A	0.9557
150	F	A	2.1757
151	V	A	1.2271
152	S	A	0.5996
153	S	A	0.0786