Project name: Mp32

Chain sequence(s)	A: MEFQFRSYSFPSASYDRPEKPRLHGVTEIRGPYSTVMGPRYLEDILESKGHFVDGLKFSGGSFSLMPRERVKRITALAHKHGIYVNTGGWAEHMLKKGLPFFNEYVQECKDLGFDIVELGTDFLDLQEADLLRLIRLVKNAGLQAKPELVFEAGRISSGQSGKGKTAQVQEESQEFDILIKRAERCLEAGADMIMVEAQGLTQNVPSWRTDVLAEIIGRLGLERTMFEAHEPKVFQWFLNNYGPKVNLFVNHCDVVELENLRSGTRGHSRWISL
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:45)

• Minimal score value: -3.9715
• Maximal score value: 2.0568
• Average score: -0.865
• Total score value: -237.0067

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	0.5612
2	E	A	-0.2553
3	F	A	1.3347
4	Q	A	0.0161
5	F	A	0.4632
6	R	A	-1.2419
7	S	A	-0.3711
8	Y	A	0.6155
9	S	A	0.3000
10	F	A	1.4630
11	P	A	0.3438
12	S	A	0.1618
13	A	A	-0.4424
14	S	A	-0.8664
15	Y	A	-1.5402
16	D	A	-2.9176
17	R	A	-3.4704
18	P	A	-2.3114
19	E	A	-2.8270
20	K	A	-1.5604
21	P	A	-0.7099
22	R	A	-0.5832
23	L	A	0.5303
24	H	A	-0.8668
25	G	A	0.0000
26	V	A	0.0000
27	T	A	0.0000
28	E	A	0.0000
29	I	A	0.0000
30	R	A	-0.1610
31	G	A	0.0000
32	P	A	0.0000
33	Y	A	1.6971
34	S	A	0.7462
35	T	A	1.0462
36	V	A	2.0568
37	M	A	0.0000
38	G	A	-0.1971
39	P	A	-1.6160
40	R	A	-2.4731
41	Y	A	-1.2864
42	L	A	0.0000
43	E	A	-2.9989
44	D	A	-3.1042
45	I	A	0.0000
46	L	A	0.0000
47	E	A	-3.1178
48	S	A	-1.9404
49	K	A	-1.4758
50	G	A	0.0000
51	H	A	-1.6496
52	F	A	-0.5575
53	V	A	0.0000
54	D	A	0.0000
55	G	A	0.0000
56	L	A	0.0000
57	K	A	0.0000
58	F	A	0.0000
59	S	A	0.0000
60	G	A	-0.0489
61	G	A	0.0000
62	S	A	0.0000
63	F	A	0.0000
64	S	A	0.3188
65	L	A	1.4194
66	M	A	-0.1946
67	P	A	-1.6659
68	R	A	-3.6662
69	E	A	-3.9715
70	R	A	-3.3416
71	V	A	0.0000
72	K	A	-3.6113
73	R	A	-3.3858
74	I	A	0.0000
75	T	A	0.0000
76	A	A	-1.5974
77	L	A	-1.7755
78	A	A	0.0000
79	H	A	-1.6718
80	K	A	-2.2607
81	H	A	-1.8835
82	G	A	-1.5262
83	I	A	0.0000
84	Y	A	-0.3701
85	V	A	0.0000
86	N	A	0.0000
87	T	A	0.0000
88	G	A	0.0000
89	G	A	-0.0036
90	W	A	-0.0960
91	A	A	0.0000
92	E	A	-0.4718
93	H	A	-0.8666
94	M	A	0.0000
95	L	A	-1.0551
96	K	A	-2.1506
97	K	A	-2.2732
98	G	A	-1.0644
99	L	A	-0.3161
100	P	A	-0.4070
101	F	A	-0.4771
102	F	A	0.0000
103	N	A	-1.3424
104	E	A	-2.3868
105	Y	A	0.0000
106	V	A	0.0000
107	Q	A	-3.1620
108	E	A	-3.1058
109	C	A	0.0000
110	K	A	-3.4281
111	D	A	-3.4618
112	L	A	0.0000
113	G	A	-1.9334
114	F	A	0.0000
115	D	A	-1.0109
116	I	A	0.0000
117	V	A	0.0000
118	E	A	0.0000
119	L	A	0.0000
120	G	A	0.1962
121	T	A	0.0000
122	D	A	-0.0752
123	F	A	0.9963
124	L	A	-0.3256
125	D	A	-1.5964
126	L	A	-1.3522
127	Q	A	-2.2157
128	E	A	-2.2409
129	A	A	-1.7569
130	D	A	-2.3638
131	L	A	0.0000
132	L	A	-2.1731
133	R	A	-2.8817
134	L	A	0.0000
135	I	A	0.0000
136	R	A	-2.9999
137	L	A	-1.8941
138	V	A	0.0000
139	K	A	-2.4368
140	N	A	-2.2178
141	A	A	-1.9001
142	G	A	-1.8140
143	L	A	0.0000
144	Q	A	-1.4992
145	A	A	0.0000
146	K	A	0.0000
147	P	A	0.0000
148	E	A	-0.3183
149	L	A	0.0000
150	V	A	-0.3345
151	F	A	0.0000
152	E	A	-1.0113
153	A	A	-0.8707
154	G	A	-1.1200
155	R	A	-1.1952
156	I	A	-0.0969
157	S	A	-1.1767
158	S	A	-1.1414
159	G	A	-1.2620
160	Q	A	-1.8885
161	S	A	-1.6492
162	G	A	-2.2636
163	K	A	-3.0128
164	G	A	-2.2307
165	K	A	-2.4240
166	T	A	-1.6277
167	A	A	-2.0605
168	Q	A	-2.2061
169	V	A	-0.7494
170	Q	A	-2.3162
171	E	A	-2.7606
172	E	A	-1.9149
173	S	A	-1.9112
174	Q	A	-2.3937
175	E	A	-1.4842
176	F	A	-1.6438
177	D	A	-1.9470
178	I	A	0.0601
179	L	A	-0.2205
180	I	A	0.0000
181	K	A	-1.3614
182	R	A	-1.0620
183	A	A	0.0000
184	E	A	-1.4346
185	R	A	-1.8364
186	C	A	0.0000
187	L	A	-1.4715
188	E	A	-2.1764
189	A	A	0.0000
190	G	A	-1.5314
191	A	A	0.0000
192	D	A	-1.4754
193	M	A	-0.9618
194	I	A	0.0000
195	M	A	0.0000
196	V	A	0.0000
197	E	A	-0.6956
198	A	A	0.0000
199	Q	A	-1.2972
200	G	A	0.0000
201	L	A	0.0000
202	T	A	0.0000
203	Q	A	-1.6393
204	N	A	-1.8394
205	V	A	-1.0094
206	P	A	-0.6528
207	S	A	-0.5579
208	W	A	-0.6589
209	R	A	-0.9398
210	T	A	-1.2792
211	D	A	-2.3165
212	V	A	0.0000
213	L	A	0.0000
214	A	A	-1.8630
215	E	A	-2.8329
216	I	A	0.0000
217	I	A	-1.4217
218	G	A	-1.6422
219	R	A	-2.1757
220	L	A	0.0000
221	G	A	-1.4149
222	L	A	-1.0735
223	E	A	-1.9103
224	R	A	-1.6641
225	T	A	0.0000
226	M	A	0.0000
227	F	A	0.0000
228	E	A	-0.6496
229	A	A	0.0000
230	H	A	-1.0300
231	E	A	-1.5761
232	P	A	-1.7735
233	K	A	-2.1578
234	V	A	0.0000
235	F	A	0.0000
236	Q	A	-2.0260
237	W	A	-1.4644
238	F	A	0.0000
239	L	A	0.0000
240	N	A	-2.0049
241	N	A	-1.8798
242	Y	A	-1.0059
243	G	A	-1.1314
244	P	A	-1.5309
245	K	A	-1.4990
246	V	A	0.0000
247	N	A	0.0000
248	L	A	0.0000
249	F	A	0.0000
250	V	A	0.0000
251	N	A	-0.5177
252	H	A	-0.0357
253	C	A	0.4326
254	D	A	-0.2795
255	V	A	0.0000
256	V	A	0.2952
257	E	A	-1.0093
258	L	A	0.0000
259	E	A	-0.7529
260	N	A	-1.1701
261	L	A	-1.2366
262	R	A	0.0000
263	S	A	-1.3116
264	G	A	-0.8538
265	T	A	-0.9124
266	R	A	-1.8418
267	G	A	-0.7305
268	H	A	-1.4887
269	S	A	-1.2258
270	R	A	-1.7712
271	W	A	0.0998
272	I	A	0.2908
273	S	A	0.4339
274	L	A	1.6769