Project name: 53e442a058bd27d

Chain sequence(s)	A: TATGDEWWAKCKQVDVLDSEMSYYDSDPGKHKNTVIFLHGNPTSSYLWRNVIPHVEPLARCLAPDLIGMGKSGKLPNHSYRFVDHYRYLSAWFDSVNLPEKVTIVCHDWGSGLGFHWCNEHRDRVKGIVHMESVVSPLKGWESFPETARDILPQALRSEAGEEMVLKKNFFIERLLPSSIMRKLSEEEMDAYREPFVEPGESRRPTLTWPREIPIKGDGPEDVIEIVKSYNKWLSTSKDIPKLFINADPGFFSNAIKKVTKNWPNQKTVTVKGLHFLQEDSPEEIGEAIADFLNELT
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:34)

• Minimal score value: -3.6718
• Maximal score value: 0.2804
• Average score: -1.0124
• Total score value: -300.6828

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
11	T	A	-0.6265
12	A	A	-1.2438
13	T	A	-2.3035
14	G	A	-2.5524
15	D	A	-3.2689
16	E	A	-3.0921
17	W	A	0.0000
18	W	A	0.0000
19	A	A	-2.1243
20	K	A	-2.5895
21	C	A	0.0000
22	K	A	-2.1434
23	Q	A	-2.4371
24	V	A	-1.7155
25	D	A	-2.5374
26	V	A	0.0000
27	L	A	-0.6356
28	D	A	-1.8452
29	S	A	-1.7551
30	E	A	-2.5881
31	M	A	0.0000
32	S	A	0.0000
33	Y	A	0.0000
34	Y	A	0.0000
35	D	A	0.0000
36	S	A	-0.8824
37	D	A	-1.3589
38	P	A	-1.3206
39	G	A	-1.8926
40	K	A	-2.9409
41	H	A	-3.2424
42	K	A	-2.8393
43	N	A	-1.7556
44	T	A	0.0000
45	V	A	0.0000
46	I	A	0.0000
47	F	A	0.0000
48	L	A	0.0000
49	H	A	0.0000
50	G	A	0.0000
51	N	A	0.0000
52	P	A	0.0000
53	T	A	0.0000
54	S	A	0.0000
55	S	A	0.0000
56	Y	A	0.0000
57	L	A	0.0000
58	W	A	0.0000
59	R	A	0.0000
60	N	A	-0.9334
61	V	A	0.0000
62	I	A	0.0000
63	P	A	-1.0674
64	H	A	-1.8024
65	V	A	0.0000
66	E	A	-0.7074
67	P	A	-0.3240
68	L	A	-0.1780
69	A	A	0.0000
70	R	A	0.0000
71	C	A	0.0000
72	L	A	0.0000
73	A	A	0.0000
74	P	A	0.0000
75	D	A	0.0000
76	L	A	0.0000
77	I	A	0.0000
78	G	A	0.0000
79	M	A	0.0000
80	G	A	0.0000
81	K	A	-1.8463
82	S	A	0.0000
83	G	A	0.0000
84	K	A	-1.4769
85	L	A	0.0000
86	P	A	-1.3001
87	N	A	-1.8077
88	H	A	-1.6427
89	S	A	-1.0324
90	Y	A	0.0000
91	R	A	-0.6209
92	F	A	0.0000
93	V	A	0.1766
94	D	A	-0.6465
95	H	A	0.0000
96	Y	A	-0.5651
97	R	A	-1.5086
98	Y	A	0.0000
99	L	A	0.0000
100	S	A	-1.0659
101	A	A	-1.0711
102	W	A	0.0000
103	F	A	0.0000
104	D	A	-2.0934
105	S	A	-1.5343
106	V	A	0.0000
107	N	A	-2.3480
108	L	A	-2.2527
109	P	A	0.0000
110	E	A	-3.1966
111	K	A	-3.0413
112	V	A	0.0000
113	T	A	0.0000
114	I	A	0.0000
115	V	A	0.0000
116	C	A	0.0000
117	H	A	0.0000
118	D	A	0.0000
119	W	A	0.0000
120	G	A	0.0000
121	S	A	0.0000
122	G	A	0.0000
123	L	A	0.0000
124	G	A	0.0000
125	F	A	0.0000
126	H	A	-0.7684
127	W	A	0.0000
128	C	A	0.0000
129	N	A	-2.0805
130	E	A	-2.8203
131	H	A	-2.8080
132	R	A	-3.4971
133	D	A	-3.6718
134	R	A	-3.1806
135	V	A	0.0000
136	K	A	-1.6918
137	G	A	0.0000
138	I	A	0.0000
139	V	A	0.0000
140	H	A	0.0000
141	M	A	0.0000
142	E	A	0.0000
143	S	A	0.0000
144	V	A	0.2804
145	V	A	0.0000
146	S	A	-0.5691
147	P	A	0.0000
148	L	A	-1.3348
149	K	A	-2.5503
150	G	A	-2.0983
151	W	A	-2.0314
152	E	A	-2.7143
153	S	A	-1.6801
154	F	A	0.0000
155	P	A	-1.6472
156	E	A	-2.5663
157	T	A	-1.4118
158	A	A	-1.5415
159	R	A	-2.7458
160	D	A	-2.7840
161	I	A	-1.2792
162	L	A	0.0000
163	P	A	-1.3117
164	Q	A	-2.0442
165	A	A	-1.5053
166	L	A	0.0000
167	R	A	-1.1548
168	S	A	-1.5711
169	E	A	-2.4134
170	A	A	-1.7542
171	G	A	0.0000
172	E	A	-2.3309
173	E	A	-3.0760
174	M	A	-1.8536
175	V	A	0.0000
176	L	A	0.0000
177	K	A	-3.2518
178	K	A	-3.0291
179	N	A	0.0000
180	F	A	-1.2616
181	F	A	-0.4832
182	I	A	0.0000
183	E	A	-1.6752
184	R	A	-2.1190
185	L	A	-0.7296
186	L	A	0.0000
187	P	A	-1.1026
188	S	A	-0.8918
189	S	A	-0.3614
190	I	A	0.0000
191	M	A	-0.5564
192	R	A	-1.5094
193	K	A	-2.3002
194	L	A	0.0000
195	S	A	-2.3623
196	E	A	-3.5346
197	E	A	-3.6105
198	E	A	0.0000
199	M	A	0.0000
200	D	A	-3.3683
201	A	A	0.0000
202	Y	A	0.0000
203	R	A	-2.0592
204	E	A	-2.1989
205	P	A	0.0000
206	F	A	0.0000
207	V	A	0.1241
208	E	A	-1.3150
209	P	A	-1.5296
210	G	A	-1.6894
211	E	A	-1.7832
212	S	A	-0.8782
213	R	A	0.0000
214	R	A	-0.8871
215	P	A	0.0000
216	T	A	0.0000
217	L	A	0.0000
218	T	A	-0.4909
219	W	A	0.0000
220	P	A	0.0000
221	R	A	-0.5593
222	E	A	0.0000
223	I	A	-0.1967
224	P	A	0.0000
225	I	A	0.0000
226	K	A	-2.7129
227	G	A	-2.3299
228	D	A	-2.7463
229	G	A	0.0000
230	P	A	-2.1236
231	E	A	-3.2881
232	D	A	-2.3201
233	V	A	0.0000
234	I	A	0.0000
235	E	A	-2.9364
236	I	A	-1.3583
237	V	A	0.0000
238	K	A	-1.9721
239	S	A	-1.6957
240	Y	A	0.0000
241	N	A	0.0000
242	K	A	-1.9507
243	W	A	-1.2856
244	L	A	0.0000
245	S	A	-1.3582
246	T	A	-1.4884
247	S	A	0.0000
248	K	A	-2.9490
249	D	A	-2.8403
250	I	A	-2.0115
251	P	A	-1.6271
252	K	A	0.0000
253	L	A	0.0000
254	F	A	0.0000
255	I	A	0.0000
256	N	A	-1.0357
257	A	A	0.0000
258	D	A	-2.7006
259	P	A	-1.7512
260	G	A	-1.1150
261	F	A	-0.3485
262	F	A	-0.2193
263	S	A	0.0000
264	N	A	-1.9202
265	A	A	-1.1554
266	I	A	0.0000
267	K	A	-2.1856
268	K	A	-2.5930
269	V	A	-0.9912
270	T	A	0.0000
271	K	A	-2.8429
272	N	A	-2.4845
273	W	A	0.0000
274	P	A	-2.3105
275	N	A	-2.6907
276	Q	A	-2.1004
277	K	A	-1.5904
278	T	A	-0.7792
279	V	A	-0.1179
280	T	A	-0.9779
281	V	A	0.0000
282	K	A	-2.6661
283	G	A	0.0000
284	L	A	-0.4007
285	H	A	0.0000
286	F	A	0.0000
287	L	A	0.0000
288	Q	A	0.0000
289	E	A	0.0000
290	D	A	-1.3912
291	S	A	-1.7533
292	P	A	-2.2026
293	E	A	-3.4164
294	E	A	-3.5904
295	I	A	0.0000
296	G	A	0.0000
297	E	A	-3.4996
298	A	A	-2.3545
299	I	A	0.0000
300	A	A	-2.3586
301	D	A	-3.1426
302	F	A	0.0000
303	L	A	0.0000
304	N	A	-2.5904
305	E	A	-2.7487
306	L	A	-1.2945
307	T	A	-0.9735