Project name: 3e6b43625eec8b7

Chain sequence(s)	A: TNPYARGPNPTAASLEASSAGPFTVRRRSFTVSRRPSGYGAGTVYYPTNAGGTVGAIAIVPGYTARQSSSIIKKWWGPRLASHGFVVITIDTNSTLDQPSSSSRSSQQMAALRRQVASSSLNGTSSSPIYGKKVDTARMGVMGWSMGGGGSLISAANNPSSLKKAAAPQAPWDSSSSTNFSSVTVPTLIIFACENDSSIAPVNSSSSALPIYDSMSSRRNAKQFLLEINGGSHSCANSGNSSNQALIGKKGVAWMMKRFMMDNDTRYSTFACENPNSTRRVSDFRTANCSSLEH
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                                          (00:01:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -2.6454
• Maximal score value: 1.7007
• Average score: -0.4931
• Total score value: -130.6683

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
29	T	A	-0.2506
30	N	A	-0.6286
31	P	A	-0.4461
32	Y	A	-0.1951
33	A	A	-0.6695
34	R	A	-0.6309
35	G	A	-0.9785
36	P	A	-1.1450
37	N	A	-1.6309
38	P	A	-0.8815
39	T	A	-0.5701
40	A	A	-0.2510
41	A	A	-0.3850
42	S	A	-0.6760
43	L	A	0.0000
44	E	A	-1.2050
45	A	A	-0.6888
46	S	A	-0.5516
47	A	A	-0.2413
48	G	A	-0.3170
49	P	A	-0.3598
50	F	A	-0.5024
51	T	A	-0.5474
52	V	A	-0.7394
53	R	A	-1.6932
54	S	A	-0.8946
55	F	A	-0.2195
56	T	A	-0.2453
57	V	A	0.0000
58	S	A	-1.1168
59	R	A	-2.1250
60	P	A	-1.4406
61	S	A	-1.3136
62	G	A	-1.3188
63	Y	A	0.0000
64	G	A	-1.2145
65	A	A	-1.0040
66	G	A	0.0000
67	T	A	-0.1428
68	V	A	0.0000
69	Y	A	0.0000
70	Y	A	0.0000
71	P	A	0.0000
72	T	A	-1.0817
73	N	A	-1.4683
74	A	A	-1.0253
75	G	A	-1.1210
76	G	A	-0.9212
77	T	A	-0.6296
78	V	A	0.0000
79	G	A	0.0000
80	A	A	0.0000
81	I	A	0.0000
82	A	A	0.0000
83	I	A	0.0000
84	V	A	0.0000
85	P	A	0.0000
86	G	A	0.0000
87	Y	A	0.7246
88	T	A	0.2764
89	A	A	-0.5065
90	R	A	-1.9120
91	Q	A	-1.3663
92	S	A	-1.2201
93	S	A	-0.9955
94	I	A	0.0000
95	K	A	-1.2890
96	W	A	-0.6181
97	W	A	0.0000
98	G	A	0.0000
99	P	A	-0.5061
100	R	A	0.0000
101	L	A	0.0000
102	A	A	0.0000
103	S	A	0.0000
104	H	A	0.0000
105	G	A	0.0000
106	F	A	0.0000
107	V	A	0.0000
108	V	A	0.0000
109	I	A	0.0000
110	T	A	0.0000
111	I	A	0.0000
112	D	A	0.0000
113	T	A	0.0000
114	N	A	-1.3833
115	S	A	-0.6408
116	T	A	-0.1404
117	L	A	0.8529
118	D	A	-0.3425
119	Q	A	-0.9586
120	P	A	0.0000
121	S	A	-0.6472
122	S	A	-0.6657
123	R	A	0.0000
124	S	A	0.0000
125	S	A	-0.4183
126	Q	A	0.0000
127	Q	A	0.0000
128	M	A	-0.5748
129	A	A	-0.9184
130	A	A	0.0000
131	L	A	0.0000
132	R	A	-1.9977
133	Q	A	-1.4125
134	V	A	0.0000
135	A	A	-0.8830
136	S	A	-0.6934
137	L	A	-0.3465
138	N	A	-0.5305
139	G	A	-0.5011
140	T	A	-0.2156
141	S	A	-0.2079
142	S	A	-0.1826
143	S	A	-0.0317
144	P	A	-0.2316
145	I	A	0.0000
146	Y	A	0.3523
147	G	A	-0.4783
148	K	A	-0.8279
149	V	A	0.0000
150	D	A	-0.4954
151	T	A	-0.5473
152	A	A	-0.1224
153	R	A	0.0000
154	M	A	-0.0549
155	G	A	0.0000
156	V	A	0.0000
157	M	A	0.0000
158	G	A	0.0000
159	W	A	0.3128
160	S	A	0.0000
161	M	A	0.2322
162	G	A	0.0000
163	G	A	0.0000
164	G	A	0.0000
165	G	A	0.0000
166	S	A	0.0000
167	L	A	0.0000
168	I	A	-0.2073
169	S	A	0.0000
170	A	A	0.0000
171	A	A	-0.7587
172	N	A	-1.4731
173	N	A	-1.0967
174	P	A	-0.9560
175	S	A	-0.6876
176	L	A	0.0000
177	K	A	-0.6537
178	A	A	0.0000
179	A	A	0.0000
180	A	A	0.0000
181	P	A	0.0000
182	Q	A	0.0000
183	A	A	0.0000
184	P	A	0.0000
185	W	A	0.5331
186	D	A	-0.4318
187	S	A	-0.5869
188	S	A	-0.6538
189	T	A	-1.0006
190	N	A	-1.7113
191	F	A	0.0000
192	S	A	-1.2434
193	S	A	-1.0060
194	V	A	0.0000
195	T	A	-0.9376
196	V	A	0.0000
197	P	A	-0.5268
198	T	A	0.0000
199	L	A	0.0000
200	I	A	0.0000
201	F	A	0.0000
202	A	A	0.0000
203	C	A	0.0000
204	E	A	-2.3949
205	N	A	-1.9999
206	D	A	0.0000
207	S	A	0.1915
208	I	A	1.7007
209	A	A	0.0000
210	P	A	-0.4721
211	V	A	0.0000
212	N	A	-1.4827
213	S	A	-0.7936
214	S	A	0.0000
215	A	A	0.0000
216	L	A	-0.8984
217	P	A	-1.2377
218	I	A	0.0000
219	Y	A	0.0000
220	D	A	-2.0962
221	S	A	-1.6304
222	M	A	0.0000
223	S	A	-1.6610
224	R	A	-2.2102
225	N	A	0.0000
226	A	A	-0.7857
227	K	A	0.0000
228	Q	A	0.0000
229	F	A	0.0000
230	L	A	0.0000
231	E	A	0.0000
232	I	A	0.0000
233	N	A	-2.6454
234	G	A	-2.0840
235	G	A	0.0000
236	S	A	-0.9495
237	H	A	-0.2344
238	S	A	-0.0641
239	C	A	-0.7883
240	A	A	0.0000
241	N	A	0.0000
242	S	A	-0.7143
243	G	A	-0.8284
244	N	A	-0.6464
245	S	A	-0.5931
246	N	A	-0.9822
247	Q	A	-0.9437
248	A	A	-0.8383
249	L	A	0.0000
250	I	A	0.0000
251	G	A	0.0000
252	K	A	-0.6126
253	K	A	0.0000
254	G	A	0.0000
255	V	A	0.0000
256	A	A	0.0000
257	W	A	0.0000
258	M	A	0.0000
259	K	A	0.0000
260	R	A	0.0000
261	F	A	-0.4095
262	M	A	0.0000
263	D	A	0.0000
264	N	A	-1.3552
265	D	A	0.0000
266	T	A	-0.5497
267	R	A	-1.0409
268	Y	A	0.0000
269	S	A	-0.3988
270	T	A	-0.7101
271	F	A	-0.4475
272	A	A	0.0000
273	C	A	-1.0048
274	E	A	-2.2550
275	N	A	-1.8908
276	P	A	-1.5673
277	N	A	-2.0116
278	S	A	-1.5452
279	T	A	-1.4878
280	R	A	-2.5597
281	V	A	-1.7649
282	S	A	-1.5090
283	D	A	-1.1386
284	F	A	-0.7666
285	R	A	-1.1691
286	T	A	-0.9743
287	A	A	-1.0391
288	N	A	-1.5612
289	C	A	0.0000
290	S	A	-0.6131
291	L	A	0.0656
292	E	A	-1.7623
293	H	A	-1.5283