Project name: blg

Chain sequence(s)	A: MKCLLLALALTCGAQALIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:33)

• Minimal score value: -3.5984
• Maximal score value: 3.4537
• Average score: -0.7913
• Total score value: -140.8474

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	0.3890
2	K	A	-0.4196
3	C	A	1.3506
4	L	A	2.6716
5	L	A	3.4537
6	L	A	3.2437
7	A	A	2.2837
8	L	A	2.5869
9	A	A	1.8301
10	L	A	2.1461
11	T	A	1.1239
12	C	A	0.7961
13	G	A	-0.2359
14	A	A	-0.2934
15	Q	A	-0.6109
16	A	A	0.7242
17	L	A	2.2429
18	I	A	2.0702
19	V	A	2.5160
20	T	A	0.9883
21	Q	A	-0.3505
22	T	A	-0.5222
23	M	A	-1.1249
24	K	A	-1.9987
25	G	A	-1.3269
26	L	A	0.0000
27	D	A	-1.8741
28	I	A	-1.6827
29	Q	A	-2.3394
30	K	A	-2.7623
31	V	A	0.0000
32	A	A	-1.2438
33	G	A	-0.9292
34	T	A	-0.4639
35	W	A	0.0000
36	Y	A	-0.5664
37	S	A	0.0000
38	L	A	0.0000
39	A	A	0.0000
40	M	A	0.0000
41	A	A	0.0000
42	A	A	0.0000
43	S	A	0.0000
44	D	A	-0.8355
45	I	A	0.1455
46	S	A	-0.4390
47	L	A	-0.5399
48	L	A	0.0000
49	D	A	-1.8207
50	A	A	-1.3580
51	Q	A	-1.6199
52	S	A	-1.7780
53	A	A	0.0000
54	P	A	-0.8498
55	L	A	0.0000
56	R	A	-0.8280
57	V	A	0.0000
58	Y	A	0.0000
59	V	A	0.0000
60	E	A	-0.7233
61	E	A	-0.9348
62	L	A	0.0000
63	K	A	-1.2136
64	P	A	-1.4978
65	T	A	-1.5488
66	P	A	-1.4748
67	E	A	-2.5603
68	G	A	-2.3970
69	D	A	-2.4063
70	L	A	0.0000
71	E	A	-0.7814
72	I	A	0.0000
73	L	A	-0.9894
74	L	A	0.0000
75	Q	A	0.0000
76	K	A	0.0000
77	W	A	-1.7078
78	E	A	-2.7110
79	N	A	-2.5655
80	G	A	-2.3840
81	E	A	-2.9106
82	C	A	-1.7233
83	A	A	-1.7591
84	Q	A	-2.1906
85	K	A	-1.9302
86	K	A	-1.8537
87	I	A	0.0000
88	I	A	-0.0484
89	A	A	0.0000
90	E	A	-3.2237
91	K	A	-3.2374
92	T	A	-2.0396
93	K	A	-1.6137
94	I	A	-0.4641
95	P	A	-1.0283
96	A	A	0.0000
97	V	A	0.0000
98	F	A	0.0000
99	K	A	-2.4662
100	I	A	0.0000
101	D	A	-2.3307
102	A	A	-1.3395
103	L	A	-0.9009
104	N	A	-1.7525
105	E	A	0.0000
106	N	A	-1.8311
107	K	A	-1.7239
108	V	A	0.0000
109	L	A	0.0000
110	V	A	0.0000
111	L	A	0.0000
112	D	A	-1.0011
113	T	A	0.0000
114	D	A	-1.5532
115	Y	A	-2.0178
116	K	A	-2.8031
117	K	A	-2.7447
118	Y	A	0.0000
119	L	A	0.0000
120	L	A	0.0000
121	F	A	0.0000
122	C	A	0.0000
123	M	A	0.0000
124	E	A	-1.5870
125	N	A	-2.0577
126	S	A	-1.3505
127	A	A	-1.4176
128	E	A	-2.9010
129	P	A	-2.3240
130	E	A	-2.9964
131	Q	A	-2.7011
132	S	A	0.0000
133	L	A	0.0000
134	A	A	0.0000
135	C	A	0.0000
136	Q	A	0.0000
137	C	A	0.0000
138	L	A	0.0000
139	V	A	0.0000
140	R	A	-1.6388
141	T	A	-1.2641
142	P	A	-1.5484
143	E	A	-1.8500
144	V	A	-0.4205
145	D	A	-1.7962
146	D	A	-2.9650
147	E	A	-3.3241
148	A	A	0.0000
149	L	A	-2.2679
150	E	A	-3.5984
151	K	A	-2.9375
152	F	A	0.0000
153	D	A	-2.8945
154	K	A	-3.2186
155	A	A	-2.1231
156	L	A	0.0000
157	K	A	-2.4420
158	A	A	-0.7975
159	L	A	0.0000
160	P	A	-0.8885
161	M	A	-0.7972
162	H	A	-0.7296
163	I	A	-0.5611
164	R	A	-1.0701
165	L	A	-0.4331
166	S	A	-0.2990
167	F	A	0.0000
168	N	A	-1.5499
169	P	A	-1.6550
170	T	A	-1.5185
171	Q	A	-1.4601
172	L	A	0.0000
173	E	A	-3.0224
174	E	A	-2.5156
175	Q	A	-2.1229
176	C	A	0.0000
177	H	A	0.0000
178	I	A	0.8318