Project name: ccbb1afa56b3f16

Chain sequence(s)	A: MSLLIIGMGGTIASVKGESGYESALSIEEIIEISGIREKIGSSIDTIDLMNVDSTLIQPSDWKTLAEEIERNIWDYDGIVITHGTDTMAYTASMLSFMLRNPPVPIVFTGSMLPASEKNSDAPLNLYTALKFAETGIRGIYIAFNGKVMLGVRASKVRSMNFDAFESINYPLIAKLEDDIKILHIPRIYGDEFSSDFRYNHKVLVLKLIPGLSGDVFEAALKIGYRGIVIEGYGVGGIPYRGTNLFEVISKISREIPIVLTTQALYDGVDLERYKVGRMALNAGIIPAGDMTKEATVTKLMWILGHTRKIEEVRELMGKNLAGELTRVF
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                                          (00:06:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:39)

• Minimal score value: -3.6457
• Maximal score value: 1.5485
• Average score: -0.6196
• Total score value: -203.8431

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	0.3821
2	S	A	-0.6058
3	L	A	0.0000
4	L	A	0.0000
5	I	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	-0.3100
12	I	A	0.0000
13	A	A	0.0000
14	S	A	0.0000
15	V	A	-0.8168
16	K	A	-2.0906
17	G	A	-1.9494
18	E	A	-2.3941
19	S	A	-1.5309
20	G	A	-1.1596
21	Y	A	-0.8682
22	E	A	-2.1598
23	S	A	-1.1324
24	A	A	-0.6980
25	L	A	-0.7392
26	S	A	-0.9881
27	I	A	0.0000
28	E	A	-2.1409
29	E	A	-1.8991
30	I	A	0.0000
31	I	A	0.0000
32	E	A	-2.3158
33	I	A	-0.2208
34	S	A	0.0000
35	G	A	-1.4716
36	I	A	0.0000
37	R	A	-2.8274
38	E	A	-3.2157
39	K	A	-2.5218
40	I	A	0.0000
41	G	A	-1.2226
42	S	A	-0.8559
43	S	A	-0.5360
44	I	A	0.0000
45	D	A	-1.3801
46	T	A	-0.8966
47	I	A	-0.4745
48	D	A	-1.2139
49	L	A	-0.3065
50	M	A	-0.4415
51	N	A	-1.0892
52	V	A	-0.4712
53	D	A	-1.2879
54	S	A	0.0000
55	T	A	-0.3427
56	L	A	0.6415
57	I	A	0.0000
58	Q	A	-1.1660
59	P	A	-1.1551
60	S	A	-1.0478
61	D	A	-0.8709
62	W	A	0.0000
63	K	A	-1.5860
64	T	A	-0.8577
65	L	A	0.0000
66	A	A	0.0000
67	E	A	-1.8665
68	E	A	-1.4526
69	I	A	0.0000
70	E	A	-1.8552
71	R	A	-2.5333
72	N	A	-1.6904
73	I	A	0.0000
74	W	A	-0.2701
75	D	A	-1.7534
76	Y	A	-0.8941
77	D	A	-1.0244
78	G	A	0.0000
79	I	A	0.0000
80	V	A	0.0000
81	I	A	0.0000
82	T	A	0.0000
83	H	A	0.0000
84	G	A	0.0000
85	T	A	0.0000
86	D	A	-1.9729
87	T	A	-0.9452
88	M	A	0.0000
89	A	A	0.0000
90	Y	A	-0.1536
91	T	A	0.0000
92	A	A	0.0000
93	S	A	0.0000
94	M	A	0.0000
95	L	A	0.0000
96	S	A	0.0000
97	F	A	0.0000
98	M	A	0.0000
99	L	A	0.0000
100	R	A	-0.9011
101	N	A	-1.1401
102	P	A	0.0000
103	P	A	-0.6690
104	V	A	-0.2194
105	P	A	0.0000
106	I	A	0.0000
107	V	A	0.0000
108	F	A	0.0000
109	T	A	0.0000
110	G	A	0.0000
111	S	A	0.0000
112	M	A	0.2396
113	L	A	0.1628
114	P	A	0.0000
115	A	A	0.0000
116	S	A	-0.9351
117	E	A	-1.8016
118	K	A	-2.6293
119	N	A	-2.2353
120	S	A	-1.0605
121	D	A	0.0000
122	A	A	0.0000
123	P	A	0.1651
124	L	A	0.6990
125	N	A	0.0000
126	L	A	0.0000
127	Y	A	0.1389
128	T	A	0.0000
129	A	A	0.0000
130	L	A	0.0000
131	K	A	-0.7324
132	F	A	0.0000
133	A	A	0.0000
134	E	A	-0.5805
135	T	A	-0.5246
136	G	A	-0.6452
137	I	A	0.0172
138	R	A	-0.3428
139	G	A	0.0000
140	I	A	0.0000
141	Y	A	0.0000
142	I	A	0.0000
143	A	A	0.0000
144	F	A	0.0000
145	N	A	-0.5166
146	G	A	-0.7825
147	K	A	-0.9055
148	V	A	0.0000
149	M	A	0.0000
150	L	A	0.0000
151	G	A	0.0000
152	V	A	0.0000
153	R	A	0.0000
154	A	A	0.0000
155	S	A	0.0000
156	K	A	-0.8460
157	V	A	-0.1480
158	R	A	-1.0776
159	S	A	-0.6070
160	M	A	0.3720
161	N	A	-0.7013
162	F	A	-0.0219
163	D	A	-0.7157
164	A	A	0.0000
165	F	A	0.0000
166	E	A	-0.4754
167	S	A	0.0000
168	I	A	0.0000
169	N	A	-0.3697
170	Y	A	-0.0016
171	P	A	0.0930
172	L	A	0.2925
173	I	A	0.0000
174	A	A	0.0000
175	K	A	-1.5775
176	L	A	-2.0451
177	E	A	-3.5247
178	D	A	-3.5724
179	D	A	-3.2764
180	I	A	-1.8920
181	K	A	-1.7715
182	I	A	0.5850
183	L	A	1.0171
184	H	A	0.6701
185	I	A	1.0225
186	P	A	0.0000
187	R	A	-1.3452
188	I	A	-0.3326
189	Y	A	-1.0683
190	G	A	-1.8083
191	D	A	-2.8040
192	E	A	-2.7415
193	F	A	-1.3693
194	S	A	-0.9853
195	S	A	-0.7023
196	D	A	-1.0361
197	F	A	-1.1159
198	R	A	-1.9727
199	Y	A	-1.3099
200	N	A	-1.3138
201	H	A	-1.5275
202	K	A	-0.9043
203	V	A	0.0000
204	L	A	0.2896
205	V	A	0.2283
206	L	A	-0.1589
207	K	A	-1.2056
208	L	A	0.0000
209	I	A	0.6425
210	P	A	0.0753
211	G	A	-0.5734
212	L	A	-0.3187
213	S	A	-0.8428
214	G	A	0.0000
215	D	A	-2.0943
216	V	A	-0.8394
217	F	A	0.0000
218	E	A	-1.9149
219	A	A	-0.8211
220	A	A	0.0000
221	L	A	-0.4740
222	K	A	-0.8238
223	I	A	1.0498
224	G	A	0.3483
225	Y	A	-0.1018
226	R	A	-0.7534
227	G	A	0.0000
228	I	A	0.0000
229	V	A	0.0000
230	I	A	0.0000
231	E	A	-0.7703
232	G	A	0.0000
233	Y	A	0.2937
234	G	A	-0.1858
235	V	A	-0.5648
236	G	A	-0.4920
237	G	A	-0.3961
238	I	A	0.0000
239	P	A	-0.4697
240	Y	A	-0.9689
241	R	A	-2.0173
242	G	A	-1.5262
243	T	A	-1.4235
244	N	A	-2.0088
245	L	A	0.0000
246	F	A	-1.1827
247	E	A	-2.3343
248	V	A	0.0000
249	I	A	0.0000
250	S	A	-2.1086
251	K	A	-3.1519
252	I	A	0.0000
253	S	A	0.0000
254	R	A	-3.5552
255	E	A	-3.3160
256	I	A	0.0000
257	P	A	0.0000
258	I	A	0.0000
259	V	A	0.0000
260	L	A	0.0000
261	T	A	0.0000
262	T	A	0.0000
263	Q	A	-0.3568
264	A	A	0.2656
265	L	A	0.8566
266	Y	A	0.5744
267	D	A	-1.2393
268	G	A	0.0000
269	V	A	0.0000
270	D	A	-1.8904
271	L	A	0.0000
272	E	A	-3.0504
273	R	A	-2.8475
274	Y	A	-1.2271
275	K	A	-2.0333
276	V	A	-0.8628
277	G	A	0.0000
278	R	A	-2.9508
279	M	A	-1.1893
280	A	A	0.0000
281	L	A	-1.2451
282	N	A	-1.4606
283	A	A	0.0000
284	G	A	-1.3937
285	I	A	0.0000
286	I	A	0.0000
287	P	A	0.0000
288	A	A	0.0000
289	G	A	0.0000
290	D	A	0.0000
291	M	A	0.0000
292	T	A	0.0000
293	K	A	-0.4658
294	E	A	0.0000
295	A	A	0.0000
296	T	A	0.0000
297	V	A	0.0000
298	T	A	0.0000
299	K	A	0.0000
300	L	A	0.0000
301	M	A	0.0000
302	W	A	0.0000
303	I	A	0.0000
304	L	A	0.0000
305	G	A	-1.2069
306	H	A	-1.2847
307	T	A	-1.4524
308	R	A	-2.2877
309	K	A	-3.3179
310	I	A	-3.0162
311	E	A	-3.6457
312	E	A	-3.2544
313	V	A	0.0000
314	R	A	-2.4937
315	E	A	-2.7351
316	L	A	-1.8129
317	M	A	0.0000
318	G	A	0.0000
319	K	A	-1.6173
320	N	A	-0.7523
321	L	A	-0.3915
322	A	A	0.0000
323	G	A	0.0000
324	E	A	0.0000
325	L	A	0.0000
326	T	A	-0.0638
327	R	A	0.1953
328	V	A	1.5485
329	F	A	1.4823