Project name: BBN-StrongResp

Chain sequence(s)	A: MDAMKRGLCCVLLLCGAVFVSPSQEIHARMTLKKTLVTSKLPLITCYEGAKPGLTVNAEENAQMNSACVNSSCIKGQLQSGFITSALQYSFSSAGEAPFYLWGSMNTEEAANTMVNFYTSVAPVLRGQPCEEQSQVRFQRSPWPLTFEPSAGIFRLKYESQKSKSNYAAVGNDGGFPSSYPYDVPDYA
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:58)

• Minimal score value: -3.5653
• Maximal score value: 4.2891
• Average score: -0.0845
• Total score value: -15.8881

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	M	A	0.3179
2	D	A	-1.1810
3	A	A	-0.7354
4	M	A	-0.6662
5	K	A	-2.2349
6	R	A	-2.1211
7	G	A	-0.7395
8	L	A	1.1904
9	C	A	2.3000
10	C	A	2.9165
11	V	A	4.2891
12	L	A	3.8903
13	L	A	3.3242
14	L	A	3.0423
15	C	A	1.9588
16	G	A	1.1987
17	A	A	1.8948
18	V	A	3.0481
19	F	A	3.5418
20	V	A	3.0246
21	S	A	0.9098
22	P	A	-0.3542
23	S	A	-0.8719
24	Q	A	-1.5974
25	E	A	-1.7407
26	I	A	0.2158
27	H	A	-0.9263
28	A	A	-0.5937
29	R	A	-1.1395
30	M	A	0.2385
31	T	A	0.0400
32	L	A	0.2981
33	K	A	-1.4815
34	K	A	-1.4740
35	T	A	0.1268
36	L	A	1.6409
37	V	A	1.9694
38	T	A	0.9032
39	S	A	0.0990
40	K	A	-0.6955
41	L	A	1.4419
42	P	A	1.4107
43	L	A	2.6340
44	I	A	3.2228
45	T	A	1.8050
46	C	A	1.5278
47	Y	A	0.8884
48	E	A	-1.4010
49	G	A	-1.3305
50	A	A	-1.0137
51	K	A	-1.9179
52	P	A	-0.9499
53	G	A	-0.1061
54	L	A	1.2137
55	T	A	1.0586
56	V	A	0.7772
57	N	A	-1.4317
58	A	A	-2.0108
59	E	A	-3.3087
60	E	A	-3.5653
61	N	A	-3.0026
62	A	A	-2.3787
63	Q	A	-2.3293
64	M	A	-0.8316
65	N	A	-1.1585
66	S	A	-0.4587
67	A	A	0.1767
68	C	A	0.8145
69	V	A	1.2331
70	N	A	-0.3153
71	S	A	0.0744
72	S	A	0.1778
73	C	A	0.9670
74	I	A	1.1607
75	K	A	-0.8817
76	G	A	-0.9239
77	Q	A	-1.1091
78	L	A	-0.0891
79	Q	A	-0.7691
80	S	A	-0.2657
81	G	A	-0.1679
82	F	A	1.6847
83	I	A	1.3195
84	T	A	0.6490
85	S	A	0.4680
86	A	A	0.0463
87	L	A	0.3114
88	Q	A	-0.2058
89	Y	A	0.9224
90	S	A	0.8976
91	F	A	1.4771
92	S	A	0.2582
93	S	A	-0.1456
94	A	A	-0.4566
95	G	A	-1.1845
96	E	A	-1.8032
97	A	A	-0.3336
98	P	A	0.1024
99	F	A	1.0805
100	Y	A	1.5594
101	L	A	0.0000
102	W	A	1.1707
103	G	A	0.7003
104	S	A	0.1773
105	M	A	-0.2566
106	N	A	-1.3501
107	T	A	-1.7407
108	E	A	-3.0762
109	E	A	-3.1659
110	A	A	-1.4822
111	A	A	-1.2339
112	N	A	-1.5913
113	T	A	-0.3769
114	M	A	0.8377
115	V	A	0.9147
116	N	A	0.2579
117	F	A	1.1232
118	Y	A	1.5388
119	T	A	1.4000
120	S	A	1.1682
121	V	A	2.4473
122	A	A	1.2801
123	P	A	1.7566
124	V	A	2.5914
125	L	A	1.2667
126	R	A	-0.9487
127	G	A	-1.2907
128	Q	A	-1.4326
129	P	A	-1.1280
130	C	A	-1.1187
131	E	A	-2.9591
132	E	A	-3.3622
133	Q	A	-2.5639
134	S	A	-2.0374
135	Q	A	-1.6502
136	V	A	-0.4825
137	R	A	-1.9807
138	F	A	-1.2419
139	Q	A	-2.3285
140	R	A	-2.4545
141	S	A	-1.0177
142	P	A	-0.2953
143	W	A	1.0079
144	P	A	1.2009
145	L	A	2.1494
146	T	A	1.2355
147	F	A	1.6212
148	E	A	-0.8172
149	P	A	-0.6479
150	S	A	-0.5678
151	A	A	0.1189
152	G	A	0.3385
153	I	A	1.4967
154	F	A	2.0996
155	R	A	-0.3628
156	L	A	-0.1634
157	K	A	-1.5272
158	Y	A	-1.0427
159	E	A	-2.5474
160	S	A	-2.2089
161	Q	A	-2.9285
162	K	A	-3.1843
163	S	A	-2.5759
164	K	A	-2.7303
165	S	A	-1.5600
166	N	A	-1.2189
167	Y	A	0.7096
168	A	A	0.7592
169	A	A	0.8578
170	V	A	1.1965
171	G	A	-0.7981
172	N	A	-2.0797
173	D	A	-2.4630
174	G	A	-1.5761
175	G	A	-0.4574
176	F	A	1.2180
177	P	A	0.5539
178	S	A	0.2773
179	S	A	0.4454
180	Y	A	1.0489
181	P	A	0.7100
182	Y	A	1.0423
183	D	A	-0.4545
184	V	A	0.8386
185	P	A	-0.1798
186	D	A	-0.9882
187	Y	A	0.6287
188	A	A	0.2317