Project name: 4df141b9247df3

Chain sequence(s)	A: MAESEMEQHTEMVQDNDKTLKYLDFVQVATIYIICFSTIYDYAKENSGPLKPAVQTVEGTVQMVIGPVYEKFCDVPFELLKFVDRKVDDALEIDRHVPSLVKQASSQARAVACEVQRAGIVEAAKSIAKTMYTKYEPTAELYCKYEPVAEHYAVSAWHTLNRLPLFPQAAQVVVPTAARWSEKYNQLVSYAADRGYAAAYVPLIPIERIAKVFHEGVNGPTVPTNE
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                                          (00:03:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:47)

• Minimal score value: -4.0319
• Maximal score value: 3.9237
• Average score: -0.3553
• Total score value: -80.2888

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	0.3433
2	A	A	-0.5963
3	E	A	-2.1469
4	S	A	-2.0586
5	E	A	-2.7963
6	M	A	-1.8637
7	E	A	-3.3883
8	Q	A	-3.0234
9	H	A	-2.2397
10	T	A	-1.3709
11	E	A	-2.0376
12	M	A	0.0786
13	V	A	0.4377
14	Q	A	-2.1283
15	D	A	-3.6927
16	N	A	-3.6288
17	D	A	-4.0319
18	K	A	-3.8253
19	T	A	-2.6252
20	L	A	0.0000
21	K	A	-1.7393
22	Y	A	0.1398
23	L	A	0.2098
24	D	A	-0.6718
25	F	A	1.1129
26	V	A	1.1612
27	Q	A	0.4679
28	V	A	1.5754
29	A	A	1.8188
30	T	A	2.3060
31	I	A	3.4616
32	Y	A	3.0442
33	I	A	3.7049
34	I	A	3.9237
35	C	A	3.0245
36	F	A	2.9904
37	S	A	1.9499
38	T	A	1.2718
39	I	A	1.5832
40	Y	A	0.7102
41	D	A	-1.3155
42	Y	A	-0.0690
43	A	A	-0.6236
44	K	A	-1.7997
45	E	A	-2.6529
46	N	A	-2.2851
47	S	A	-1.4779
48	G	A	-1.4422
49	P	A	-0.5904
50	L	A	-0.5736
51	K	A	-1.3528
52	P	A	-0.5264
53	A	A	0.0530
54	V	A	0.1783
55	Q	A	-0.5536
56	T	A	0.1098
57	V	A	1.4630
58	E	A	0.4853
59	G	A	0.4168
60	T	A	1.3221
61	V	A	1.9907
62	Q	A	1.2697
63	M	A	2.3083
64	V	A	3.3677
65	I	A	3.2743
66	G	A	1.6992
67	P	A	1.1746
68	V	A	2.5418
69	Y	A	1.6468
70	E	A	-0.9031
71	K	A	-0.9017
72	F	A	1.2569
73	C	A	0.2835
74	D	A	-1.2871
75	V	A	-0.2322
76	P	A	-0.1378
77	F	A	-0.0427
78	E	A	-0.5639
79	L	A	0.8693
80	L	A	0.9848
81	K	A	-0.2245
82	F	A	1.4353
83	V	A	0.9818
84	D	A	0.0000
85	R	A	-1.0084
86	K	A	-1.3661
87	V	A	-0.2563
88	D	A	-1.2095
89	D	A	-2.0847
90	A	A	-1.1727
91	L	A	-1.1658
92	E	A	-2.3848
93	I	A	-0.7029
94	D	A	-2.5470
95	R	A	-2.8300
96	H	A	-1.9164
97	V	A	-0.5555
98	P	A	-0.3249
99	S	A	0.2384
100	L	A	1.4066
101	V	A	1.1991
102	K	A	-0.8280
103	Q	A	-1.1160
104	A	A	-0.7323
105	S	A	-1.1095
106	S	A	-1.6793
107	Q	A	-1.9274
108	A	A	-1.1232
109	R	A	-1.9461
110	A	A	-0.7303
111	V	A	0.2981
112	A	A	-0.3394
113	C	A	-0.6281
114	E	A	-1.4351
115	V	A	0.3431
116	Q	A	-1.1762
117	R	A	-2.0425
118	A	A	-1.1338
119	G	A	-1.1623
120	I	A	-0.5393
121	V	A	-0.7828
122	E	A	-1.7844
123	A	A	-0.3951
124	A	A	-0.2759
125	K	A	-1.2050
126	S	A	-0.6124
127	I	A	1.0850
128	A	A	0.4145
129	K	A	-1.2269
130	T	A	-0.2708
131	M	A	0.0659
132	Y	A	0.2937
133	T	A	-0.9578
134	K	A	-1.7674
135	Y	A	-0.7134
136	E	A	-2.1047
137	P	A	-1.3667
138	T	A	-0.5632
139	A	A	-0.5985
140	E	A	-1.4531
141	L	A	0.0567
142	Y	A	0.3348
143	C	A	-0.2435
144	K	A	-1.2954
145	Y	A	-0.4169
146	E	A	-1.4881
147	P	A	-0.8724
148	V	A	-0.0325
149	A	A	-0.2241
150	E	A	-0.5658
151	H	A	-0.4435
152	Y	A	0.9646
153	A	A	0.7234
154	V	A	0.4741
155	S	A	0.0864
156	A	A	0.2539
157	W	A	0.1362
158	H	A	-0.3492
159	T	A	-0.6442
160	L	A	-0.2378
161	N	A	-0.7810
162	R	A	-1.5560
163	L	A	-0.0293
164	P	A	0.1634
165	L	A	1.0677
166	F	A	0.1522
167	P	A	-0.3129
168	Q	A	-0.7832
169	A	A	0.1340
170	A	A	0.0000
171	Q	A	-0.7111
172	V	A	0.9891
173	V	A	0.8133
174	V	A	0.7923
175	P	A	0.0450
176	T	A	0.1123
177	A	A	0.0463
178	A	A	-0.6127
179	R	A	-1.8039
180	W	A	-0.5551
181	S	A	0.0000
182	E	A	-1.6721
183	K	A	-2.0370
184	Y	A	-0.1317
185	N	A	-0.0791
186	Q	A	-0.5576
187	L	A	0.9432
188	V	A	0.8817
189	S	A	0.0864
190	Y	A	0.4677
191	A	A	-0.1767
192	A	A	-0.6352
193	D	A	-2.1391
194	R	A	-2.4810
195	G	A	-1.5673
196	Y	A	-0.4863
197	A	A	0.0464
198	A	A	0.7829
199	A	A	0.7559
200	Y	A	2.1024
201	V	A	1.7588
202	P	A	1.2992
203	L	A	1.9030
204	I	A	0.8271
205	P	A	-0.3538
206	I	A	-0.9619
207	E	A	-2.4411
208	R	A	-2.4681
209	I	A	-0.1353
210	A	A	-1.4472
211	K	A	-2.8533
212	V	A	-1.2514
213	F	A	-0.7382
214	H	A	-1.9369
215	E	A	-2.5040
216	G	A	-1.0067
217	V	A	0.1350
218	N	A	-1.4092
219	G	A	-0.9026
220	P	A	-0.3545
221	T	A	0.0804
222	V	A	1.3129
223	P	A	-0.0924
224	T	A	-0.8174
225	N	A	-2.0282
226	E	A	-2.4942