Project name: b75d69ad4f3ea15

Chain sequence(s)	A: MKFLMIGMGGTIASVKGSEGYESVLSAEDILKISRIKVEHEIEFLDLMNIDSTLIQPSDWVKLAKEIYKRSSEFDGILVTHGTDTLAYTASMLSFMVRGISIPVVITGSMIPLTERNSDAPLNLLTSIKFLEKGIGGIFVSFNGKIMLGVRTSKVRTMSKDAFESINYPVIAKLENNEIKVLHKPNLTISDLTLDTRHEPKVLVLKLIPGLSGDIISKAIEVGYKGIIIEGYGAGGIPYRNSDLLETISEVSTTVPVVMTTQAVYDGVDLMRYKVGRMALRAGIIPAGDMTKEATVTKLMWILGHTRKVEEVRELMRKNIAGELTRVS
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:06:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:41)

• Minimal score value: -2.2892
• Maximal score value: 1.9609
• Average score: -0.2765
• Total score value: -90.7071

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	0.5915
2	K	A	-0.8485
3	F	A	0.0000
4	L	A	0.0000
5	M	A	0.0000
6	I	A	0.0000
7	G	A	0.0000
8	M	A	0.0000
9	G	A	0.0000
10	G	A	0.0000
11	T	A	-0.0193
12	I	A	0.0000
13	A	A	0.0000
14	S	A	0.0000
15	V	A	0.2853
16	K	A	-1.5342
17	G	A	-0.5399
18	S	A	-0.5708
19	E	A	-1.8902
20	G	A	-0.3707
21	Y	A	0.1867
22	E	A	-1.6523
23	S	A	-0.0786
24	V	A	1.5726
25	L	A	0.4389
26	S	A	-0.0226
27	A	A	0.0000
28	E	A	-1.0761
29	D	A	-1.0635
30	I	A	0.0000
31	L	A	-0.1276
32	K	A	-1.5697
33	I	A	0.2520
34	S	A	0.0000
35	R	A	-1.7952
36	I	A	-0.3766
37	K	A	-1.6069
38	V	A	-0.4033
39	E	A	-1.8146
40	H	A	-0.8691
41	E	A	-1.8948
42	I	A	-0.2140
43	E	A	-0.6229
44	F	A	0.3973
45	L	A	0.2268
46	D	A	-0.9992
47	L	A	0.1380
48	M	A	0.1190
49	N	A	-0.4143
50	I	A	0.0648
51	D	A	-1.2962
52	S	A	0.0000
53	T	A	0.1877
54	L	A	1.4261
55	I	A	0.0000
56	Q	A	-1.2054
57	P	A	-0.2917
58	S	A	-0.2200
59	D	A	0.0000
60	W	A	0.0000
61	V	A	0.0556
62	K	A	-1.0801
63	L	A	0.0000
64	A	A	0.0000
65	K	A	-1.3221
66	E	A	-0.5539
67	I	A	0.0000
68	Y	A	0.2592
69	K	A	-1.6449
70	R	A	-0.5666
71	S	A	0.0000
72	S	A	-0.4187
73	E	A	-1.1945
74	F	A	0.0000
75	D	A	-0.9676
76	G	A	0.0000
77	I	A	0.0000
78	L	A	0.0000
79	V	A	0.0000
80	T	A	0.0000
81	H	A	0.0000
82	G	A	0.0000
83	T	A	0.0000
84	D	A	-1.7913
85	T	A	-0.3335
86	L	A	0.0000
87	A	A	0.0000
88	Y	A	0.3474
89	T	A	0.0000
90	A	A	0.0000
91	S	A	0.0000
92	M	A	0.0000
93	L	A	0.0000
94	S	A	0.0000
95	F	A	0.0000
96	M	A	0.0000
97	V	A	0.0000
98	R	A	-0.5124
99	G	A	-0.1761
100	I	A	0.0000
101	S	A	-0.1892
102	I	A	0.1638
103	P	A	0.0000
104	V	A	0.0000
105	V	A	0.0000
106	I	A	0.0000
107	T	A	0.0000
108	G	A	0.0000
109	S	A	0.0000
110	M	A	0.2277
111	I	A	0.5333
112	P	A	0.0000
113	L	A	0.0000
114	T	A	-0.2737
115	E	A	-1.5513
116	R	A	-2.2892
117	N	A	-1.6086
118	S	A	-0.1992
119	D	A	0.0000
120	A	A	0.0000
121	P	A	0.0294
122	L	A	0.5917
123	N	A	0.0000
124	L	A	0.0000
125	L	A	0.2906
126	T	A	0.0000
127	S	A	0.0000
128	I	A	0.0000
129	K	A	-0.3381
130	F	A	0.0000
131	L	A	0.0000
132	E	A	-1.2246
133	K	A	-1.4596
134	G	A	-0.6231
135	I	A	0.1074
136	G	A	-0.0620
137	G	A	0.0000
138	I	A	0.0000
139	F	A	0.0000
140	V	A	0.0000
141	S	A	0.0000
142	F	A	0.0000
143	N	A	-0.4292
144	G	A	-0.1402
145	K	A	-0.3044
146	I	A	0.0000
147	M	A	0.0000
148	L	A	0.0000
149	G	A	0.0000
150	V	A	0.0000
151	R	A	0.0000
152	T	A	0.0000
153	S	A	-0.0855
154	K	A	-0.2657
155	V	A	0.3205
156	R	A	-0.6434
157	T	A	-0.0138
158	M	A	1.0245
159	S	A	-0.0424
160	K	A	-0.8885
161	D	A	-0.6183
162	A	A	0.0000
163	F	A	0.0000
164	E	A	-0.2573
165	S	A	-0.0789
166	I	A	0.0000
167	N	A	-0.3960
168	Y	A	0.0695
169	P	A	-0.1107
170	V	A	0.2245
171	I	A	0.0000
172	A	A	0.0000
173	K	A	-0.5934
174	L	A	-0.0382
175	E	A	-1.2004
176	N	A	-1.6840
177	N	A	-1.8246
178	E	A	-2.0457
179	I	A	0.0000
180	K	A	-0.7881
181	V	A	0.6319
182	L	A	1.2079
183	H	A	-0.3650
184	K	A	-1.7532
185	P	A	-0.5676
186	N	A	-1.1983
187	L	A	0.1945
188	T	A	0.3763
189	I	A	1.9609
190	S	A	-0.1938
191	D	A	-1.7141
192	L	A	0.2673
193	T	A	0.1586
194	L	A	0.3895
195	D	A	-0.1005
196	T	A	-0.3754
197	R	A	-1.8901
198	H	A	-0.5854
199	E	A	-0.3268
200	P	A	-0.3628
201	K	A	-0.8703
202	V	A	0.0598
203	L	A	0.4257
204	V	A	0.9445
205	L	A	0.0272
206	K	A	-1.6949
207	L	A	0.0000
208	I	A	1.1310
209	P	A	-0.1279
210	G	A	-0.4753
211	L	A	0.1120
212	S	A	-0.0264
213	G	A	0.0000
214	D	A	-1.6733
215	I	A	0.3300
216	I	A	0.0000
217	S	A	-0.3957
218	K	A	-1.7573
219	A	A	0.0000
220	I	A	0.1062
221	E	A	-1.6689
222	V	A	0.9546
223	G	A	0.2427
224	Y	A	0.1713
225	K	A	-0.6093
226	G	A	0.0000
227	I	A	0.0000
228	I	A	0.0000
229	I	A	0.0000
230	E	A	-0.4462
231	G	A	0.0000
232	Y	A	0.7600
233	G	A	-0.2887
234	A	A	-0.0996
235	G	A	0.0000
236	G	A	0.0076
237	I	A	0.0000
238	P	A	-0.0266
239	Y	A	-0.0904
240	R	A	-2.0281
241	N	A	-1.6150
242	S	A	-0.4861
243	D	A	-1.1702
244	L	A	0.0000
245	L	A	0.0000
246	E	A	-1.8218
247	T	A	-0.3394
248	I	A	0.0000
249	S	A	-0.4122
250	E	A	-1.8350
251	V	A	0.0000
252	S	A	0.0000
253	T	A	-0.0836
254	T	A	-0.0836
255	V	A	0.0000
256	P	A	0.0000
257	V	A	0.0000
258	V	A	0.0000
259	M	A	0.0000
260	T	A	0.0000
261	T	A	0.0000
262	Q	A	-0.2581
263	A	A	0.1783
264	V	A	1.3018
265	Y	A	0.9803
266	D	A	-1.6021
267	G	A	-0.3728
268	V	A	0.0715
269	D	A	-0.5066
270	L	A	0.0000
271	M	A	0.7234
272	R	A	-1.4572
273	Y	A	0.4646
274	K	A	-1.4197
275	V	A	0.1535
276	G	A	0.0000
277	R	A	-1.2514
278	M	A	0.0005
279	A	A	0.0000
280	L	A	-0.1360
281	R	A	-1.7854
282	A	A	0.0000
283	G	A	-0.0707
284	I	A	0.0000
285	I	A	0.0000
286	P	A	-0.0292
287	A	A	0.0000
288	G	A	-0.0947
289	D	A	-0.2255
290	M	A	0.0000
291	T	A	0.0000
292	K	A	-0.4941
293	E	A	-0.2236
294	A	A	0.0000
295	T	A	0.0000
296	V	A	0.0000
297	T	A	0.0000
298	K	A	0.0000
299	L	A	0.0000
300	M	A	0.0000
301	W	A	0.0000
302	I	A	0.0000
303	L	A	0.0000
304	G	A	-0.4195
305	H	A	-0.3592
306	T	A	-0.4046
307	R	A	-2.1540
308	K	A	-2.0346
309	V	A	0.0000
310	E	A	-2.0977
311	E	A	-1.6799
312	V	A	0.0000
313	R	A	-0.8542
314	E	A	-1.8282
315	L	A	-0.1913
316	M	A	0.0000
317	R	A	-2.1275
318	K	A	-1.9810
319	N	A	-0.8689
320	I	A	0.0000
321	A	A	-0.0013
322	G	A	-0.0438
323	E	A	0.0000
324	L	A	0.0000
325	T	A	-0.3975
326	R	A	-1.5303
327	V	A	1.3960
328	S	A	0.1083