Project name: IL-6

Chain sequence(s)	A: LTSSERIDKQIRYILDGISALRKETCNKSNMCESSKEALAENNLNLPKMAEKDGCFQSGFNEETCLVKIITGLLEFEVYLEYLQNRFESSEEQARAVQMSTKVLIQFLQKKAKNLDAITTPDPTTNASLLTKLQAQNQWLQDMTTHLILRSFKEFLQSSLRALRQM
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:46)

• Minimal score value: -3.7554
• Maximal score value: 0.8404
• Average score: -1.2557
• Total score value: -208.4452

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
20	L	A	0.8404
21	T	A	-0.2678
22	S	A	-1.1800
23	S	A	-1.4518
24	E	A	-2.1505
25	R	A	-2.4714
26	I	A	0.0000
27	D	A	0.0000
28	K	A	-2.1227
29	Q	A	-1.4757
30	I	A	0.0000
31	R	A	-2.4671
32	Y	A	-0.7735
33	I	A	0.0000
34	L	A	-1.6847
35	D	A	-2.0124
36	G	A	0.0000
37	I	A	0.0000
38	S	A	-1.6635
39	A	A	-1.5842
40	L	A	0.0000
41	R	A	-2.2317
42	K	A	-3.1753
43	E	A	-2.7768
44	T	A	-2.4279
45	C	A	0.0000
46	N	A	-3.6607
47	K	A	-3.5302
48	S	A	0.0000
49	N	A	-2.7595
50	M	A	0.0000
51	C	A	0.0000
52	E	A	-3.7554
53	S	A	-3.2606
54	S	A	-2.6639
55	K	A	-3.0942
56	E	A	-3.0106
57	A	A	-1.6432
58	L	A	-0.1463
59	A	A	-0.9475
60	E	A	-1.9430
61	N	A	-1.7857
62	N	A	-2.4981
63	L	A	0.0000
64	N	A	-1.9471
65	L	A	-1.1111
66	P	A	-1.2601
67	K	A	-1.4290
68	M	A	-1.2740
69	A	A	-1.4936
70	E	A	-2.6670
71	K	A	-2.6695
72	D	A	-1.8953
73	G	A	0.0000
74	C	A	0.0000
75	F	A	-1.0334
76	Q	A	-1.3466
77	S	A	-1.4655
78	G	A	-1.5270
79	F	A	-1.3452
80	N	A	-1.8925
81	E	A	-1.8942
82	E	A	-2.0268
83	T	A	-1.2556
84	C	A	0.0000
85	L	A	0.0000
86	V	A	-0.5742
87	K	A	-0.6416
88	I	A	0.0000
89	I	A	0.0000
90	T	A	-0.3794
91	G	A	0.0000
92	L	A	0.0000
93	L	A	-0.7444
94	E	A	-1.1218
95	F	A	0.0000
96	E	A	-1.2294
97	V	A	0.0000
98	Y	A	0.0000
99	L	A	0.0000
100	E	A	-2.1955
101	Y	A	0.0000
102	L	A	0.0000
103	Q	A	-2.8780
104	N	A	-3.3136
105	R	A	-2.6449
106	F	A	0.0000
107	E	A	-3.1614
108	S	A	-1.9402
109	S	A	-2.3558
110	E	A	-3.4625
111	E	A	-3.4633
112	Q	A	-2.6526
113	A	A	0.0000
114	R	A	-2.8866
115	A	A	-1.4265
116	V	A	0.0000
117	Q	A	-0.9299
118	M	A	0.2027
119	S	A	0.0000
120	T	A	0.0000
121	K	A	-0.4998
122	V	A	0.1052
123	L	A	0.0000
124	I	A	0.0000
125	Q	A	-1.8334
126	F	A	-1.3808
127	L	A	0.0000
128	Q	A	-2.6115
129	K	A	-3.0015
130	K	A	-2.8014
131	A	A	-2.8412
132	K	A	-3.2659
133	N	A	-2.6343
134	L	A	-2.3406
135	D	A	-2.3681
136	A	A	-1.8232
137	I	A	0.0000
138	T	A	-0.6715
139	T	A	-0.6289
140	P	A	-1.0784
141	D	A	-1.9349
142	P	A	-1.1564
143	T	A	-0.7724
144	T	A	-0.6963
145	N	A	0.0000
146	A	A	-0.5522
147	S	A	-0.6741
148	L	A	-0.8465
149	L	A	-0.8441
150	T	A	-1.1542
151	K	A	-2.1572
152	L	A	0.0000
153	Q	A	-2.0059
154	A	A	-1.6326
155	Q	A	-1.6900
156	N	A	-1.7944
157	Q	A	-1.6316
158	W	A	-0.2944
159	L	A	-0.3994
160	Q	A	-1.1911
161	D	A	-0.9349
162	M	A	0.0000
163	T	A	0.0000
164	T	A	0.0000
165	H	A	0.0000
166	L	A	0.0000
167	I	A	0.0000
168	L	A	0.0000
169	R	A	-2.2379
170	S	A	-1.7764
171	F	A	0.0000
172	K	A	-2.8248
173	E	A	-2.7848
174	F	A	0.0000
175	L	A	0.0000
176	Q	A	-2.3153
177	S	A	-1.5596
178	S	A	0.0000
179	L	A	0.0000
180	R	A	-2.7592
181	A	A	0.0000
182	L	A	0.0000
183	R	A	-3.0976
184	Q	A	-2.5419
185	M	A	-1.4019