Project name: T12501070003

Chain sequence(s)	A: MNNDNNTIYGFDVNLICEFFLNTKRQGPGSPDVTLKALSFIDNLSDTAQIADIGCGTGGQTMVLAQNVSGTITGLDFFSGCIDKFNHDALKLNLQNRVKGIVGSMDNLPFEKESLDLIWSEGAIYNIGFERGINEWRNYLKPDGYIAVSESSWFTEERPAEIHDFWMQEYQEIDTIPVKVAQLQKAGYLPVASFVLPEKCWTEHYYQPLIEARKLMLEKYPHNETVKKLIEFQHLEEALYNKYKGFYGYVFYIGKKI
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
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 minimization                                          (00:00:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:09:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:22)

• Minimal score value: -3.8072
• Maximal score value: 2.5607
• Average score: -0.8327
• Total score value: -213.9954

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	M	A	-0.1045
2	N	A	-2.1077
3	N	A	-2.9927
4	D	A	-3.4418
5	N	A	-3.0092
6	N	A	-2.2636
7	T	A	-0.6425
8	I	A	0.9975
9	Y	A	1.4836
10	G	A	0.1916
11	F	A	-0.0338
12	D	A	-0.8767
13	V	A	0.0000
14	N	A	-1.1960
15	L	A	-0.4858
16	I	A	0.0006
17	C	A	0.0000
18	E	A	-0.6105
19	F	A	0.0000
20	F	A	-0.5753
21	L	A	-0.7999
22	N	A	-1.6651
23	T	A	0.0000
24	K	A	-2.1966
25	R	A	-1.3728
26	Q	A	-0.9267
27	G	A	-0.5192
28	P	A	0.0000
29	G	A	0.0000
30	S	A	0.0000
31	P	A	-1.0740
32	D	A	-1.9727
33	V	A	0.0000
34	T	A	0.0000
35	L	A	-0.7411
36	K	A	-1.3211
37	A	A	0.0000
38	L	A	-0.4584
39	S	A	-0.4061
40	F	A	0.0465
41	I	A	0.0000
42	D	A	-1.7793
43	N	A	-1.4876
44	L	A	-0.9209
45	S	A	-1.3160
46	D	A	-1.9330
47	T	A	-1.1170
48	A	A	0.0000
49	Q	A	-0.9866
50	I	A	0.0000
51	A	A	0.0000
52	D	A	0.0000
53	I	A	0.0000
54	G	A	0.4064
55	C	A	0.0000
56	G	A	-0.1422
57	T	A	0.0000
58	G	A	0.0000
59	G	A	-0.9006
60	Q	A	0.0000
61	T	A	0.0000
62	M	A	0.0000
63	V	A	0.0000
64	L	A	0.0000
65	A	A	0.0000
66	Q	A	-1.6441
67	N	A	-1.6603
68	V	A	-1.0876
69	S	A	-1.3451
70	G	A	0.0000
71	T	A	-1.2582
72	I	A	0.0000
73	T	A	-0.5798
74	G	A	0.0000
75	L	A	0.0000
76	D	A	0.0000
77	F	A	2.5607
78	F	A	1.1201
79	S	A	0.3150
80	G	A	-0.6351
81	C	A	0.0000
82	I	A	0.0000
83	D	A	-2.3037
84	K	A	-2.2308
85	F	A	0.0000
86	N	A	-2.0138
87	H	A	-2.2177
88	D	A	-1.8943
89	A	A	0.0000
90	L	A	-1.1612
91	K	A	-1.7037
92	L	A	-0.7560
93	N	A	-1.6662
94	L	A	-1.8211
95	Q	A	-2.5716
96	N	A	-2.3441
97	R	A	-1.9733
98	V	A	0.0000
99	K	A	-2.0044
100	G	A	0.0000
101	I	A	0.9034
102	V	A	2.3208
103	G	A	1.0076
104	S	A	-0.0661
105	M	A	-1.0985
106	D	A	-3.0294
107	N	A	-2.3711
108	L	A	0.0000
109	P	A	-1.1615
110	F	A	-1.6612
111	E	A	-3.1247
112	K	A	-3.8072
113	E	A	-3.6888
114	S	A	-2.4079
115	L	A	0.0000
116	D	A	-1.2632
117	L	A	0.0000
118	I	A	0.0000
119	W	A	0.0000
120	S	A	0.0000
121	E	A	0.0000
122	G	A	-0.2029
123	A	A	0.0000
124	I	A	0.0000
125	Y	A	-0.5655
126	N	A	-1.2595
127	I	A	-1.4068
128	G	A	0.0000
129	F	A	0.0000
130	E	A	-2.7873
131	R	A	-3.3208
132	G	A	0.0000
133	I	A	0.0000
134	N	A	-2.8074
135	E	A	-3.2453
136	W	A	0.0000
137	R	A	-1.8770
138	N	A	-2.8530
139	Y	A	-2.7513
140	L	A	0.0000
141	K	A	-2.4866
142	P	A	-1.5006
143	D	A	-1.6658
144	G	A	0.0000
145	Y	A	0.0000
146	I	A	0.0000
147	A	A	0.0000
148	V	A	0.0000
149	S	A	0.0000
150	E	A	0.0000
151	S	A	0.0000
152	S	A	0.0000
153	W	A	0.0000
154	F	A	0.1283
155	T	A	-1.1225
156	E	A	-2.5983
157	E	A	-2.7517
158	R	A	-1.8436
159	P	A	-1.3421
160	A	A	-1.6617
161	E	A	-2.3418
162	I	A	0.0000
163	H	A	-2.0167
164	D	A	-2.4294
165	F	A	-1.5970
166	W	A	0.0000
167	M	A	-1.5910
168	Q	A	-1.9041
169	E	A	-1.1722
170	Y	A	0.0000
171	Q	A	-1.9521
172	E	A	-1.3669
173	I	A	0.0000
174	D	A	-0.8422
175	T	A	-0.0877
176	I	A	0.6102
177	P	A	0.3957
178	V	A	0.5472
179	K	A	0.0000
180	V	A	0.2418
181	A	A	-0.4780
182	Q	A	-1.4233
183	L	A	0.0000
184	Q	A	-1.4507
185	K	A	-2.4461
186	A	A	-1.8263
187	G	A	-0.5759
188	Y	A	0.0000
189	L	A	0.5706
190	P	A	0.1326
191	V	A	0.8484
192	A	A	0.5882
193	S	A	0.5650
194	F	A	0.6457
195	V	A	1.1457
196	L	A	0.0000
197	P	A	-1.0021
198	E	A	-2.7190
199	K	A	-2.3815
200	C	A	0.0000
201	W	A	0.0000
202	T	A	-2.2694
203	E	A	-2.9432
204	H	A	-2.2923
205	Y	A	0.0000
206	Y	A	0.0000
207	Q	A	-1.8999
208	P	A	-1.6675
209	L	A	0.0000
210	I	A	-0.1973
211	E	A	-1.8126
212	A	A	0.0000
213	R	A	0.0000
214	K	A	-1.8880
215	L	A	-1.4229
216	M	A	0.0000
217	L	A	-1.7057
218	E	A	-2.6449
219	K	A	-2.5375
220	Y	A	-1.8351
221	P	A	-1.9506
222	H	A	-2.1423
223	N	A	-2.2420
224	E	A	-2.9858
225	T	A	-2.1845
226	V	A	0.0000
227	K	A	-2.7915
228	K	A	-3.1564
229	L	A	0.0000
230	I	A	0.0000
231	E	A	-2.4600
232	F	A	-0.8492
233	Q	A	0.0000
234	H	A	-1.0132
235	L	A	-0.0070
236	E	A	-0.5352
237	E	A	-1.1561
238	A	A	-0.9458
239	L	A	-1.3130
240	Y	A	0.0000
241	N	A	-2.6773
242	K	A	-2.6569
243	Y	A	0.0000
244	K	A	-2.3857
245	G	A	-1.3327
246	F	A	-0.6539
247	Y	A	0.0000
248	G	A	0.0000
249	Y	A	0.3337
250	V	A	0.0000
251	F	A	0.0000
252	Y	A	0.0000
253	I	A	0.0000
254	G	A	0.0000
255	K	A	-0.2303
256	K	A	0.0000
257	I	A	1.2658