Project name: test

Chain sequence(s)	A: MKLHHSLLAAAVLALAAPAAFAEGDDADIYSNWDMYNSIYVIGDVWAGGYIKVKSESGALVDQDQTTEANWSLGDGDNSATVDGNALRDAEGNIGANVAAGVGNAQANDVALSSVDGEKVFASAMIFNSQYTDSNLGTDDGHADNQLFYDATVTDNALAGASGNIGLNVAAGVGNAQSNALAASVNSSGTIAKASADSEQTTFWNTLAADCDLDNTALLSGSALSGAIGNIGVNVAAGVGNAQHNGLSIAVAACELCAPPPPDPCPSCGGD
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -3.5314
• Maximal score value: 3.7459
• Average score: -0.3936
• Total score value: -106.6544

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	0.4895
2	K	A	-0.7840
3	L	A	0.1833
4	H	A	-0.7446
5	H	A	-0.8051
6	S	A	0.4016
7	L	A	1.8314
8	L	A	2.1788
9	A	A	1.4884
10	A	A	1.3136
11	A	A	1.5484
12	V	A	2.7538
13	L	A	2.8490
14	A	A	2.0468
15	L	A	2.1753
16	A	A	0.9689
17	A	A	0.3649
18	P	A	0.1819
19	A	A	0.4978
20	A	A	0.7734
21	F	A	1.4442
22	A	A	-0.2276
23	E	A	-2.0749
24	G	A	-2.4798
25	D	A	-3.5314
26	D	A	-3.1949
27	A	A	-1.4789
28	D	A	-1.2124
29	I	A	1.2560
30	Y	A	1.5390
31	S	A	0.3772
32	N	A	-0.7320
33	W	A	-0.3029
34	D	A	-1.2753
35	M	A	-0.1589
36	Y	A	0.7158
37	N	A	-0.0771
38	S	A	1.1071
39	I	A	3.0922
40	Y	A	3.3813
41	V	A	3.7459
42	I	A	3.0248
43	G	A	0.8272
44	D	A	-0.1840
45	V	A	1.7314
46	W	A	1.4485
47	A	A	0.9789
48	G	A	0.4038
49	G	A	0.2812
50	Y	A	1.5961
51	I	A	1.4881
52	K	A	-0.7515
53	V	A	-1.1727
54	K	A	-2.6762
55	S	A	-2.5099
56	E	A	-2.4096
57	S	A	-1.1291
58	G	A	-0.7140
59	A	A	0.3596
60	L	A	0.4382
61	V	A	-0.5148
62	D	A	-1.9776
63	Q	A	-2.2231
64	D	A	-2.7196
65	Q	A	-1.3505
66	T	A	-1.0688
67	T	A	-0.7365
68	E	A	-1.3904
69	A	A	-0.3264
70	N	A	0.2494
71	W	A	1.4164
72	S	A	0.7581
73	L	A	0.0759
74	G	A	-1.8316
75	D	A	-3.3251
76	G	A	-1.9150
77	D	A	-2.6649
78	N	A	-1.4822
79	S	A	-0.8808
80	A	A	0.0000
81	T	A	-0.4412
82	V	A	0.0000
83	D	A	-2.5691
84	G	A	-2.3568
85	N	A	-2.9378
86	A	A	-1.8681
87	L	A	-1.6560
88	R	A	-3.4163
89	D	A	-3.2786
90	A	A	-2.3254
91	E	A	-2.6613
92	G	A	-1.8481
93	N	A	-1.8627
94	I	A	-0.9281
95	G	A	-0.8462
96	A	A	-0.4626
97	N	A	-0.8510
98	V	A	0.0344
99	A	A	-0.0090
100	A	A	-0.3509
101	G	A	-0.2381
102	V	A	0.8251
103	G	A	-0.0292
104	N	A	-0.0811
105	A	A	0.0000
106	Q	A	-0.5206
107	A	A	0.0000
108	N	A	-0.7326
109	D	A	0.0000
110	V	A	0.8003
111	A	A	0.0000
112	L	A	1.2203
113	S	A	0.0000
114	S	A	-0.3864
115	V	A	0.0000
116	D	A	-2.4822
117	G	A	-2.5314
118	E	A	-2.7682
119	K	A	-2.2539
120	V	A	0.0000
121	F	A	-0.5048
122	A	A	0.0000
123	S	A	-0.1307
124	A	A	0.0000
125	M	A	-0.0788
126	I	A	0.0000
127	F	A	-1.6295
128	N	A	0.0000
129	S	A	-2.2790
130	Q	A	0.0000
131	Y	A	-0.6174
132	T	A	0.0000
133	D	A	-0.1553
134	S	A	0.2271
135	N	A	0.0000
136	L	A	1.2231
137	G	A	0.0000
138	T	A	0.0000
139	D	A	0.0000
140	D	A	-2.9815
141	G	A	-2.0609
142	H	A	-2.4983
143	A	A	-1.8352
144	D	A	-3.2546
145	N	A	-2.9603
146	Q	A	-2.9722
147	L	A	0.0000
148	F	A	-1.7717
149	Y	A	0.0000
150	D	A	-1.3312
151	A	A	0.0000
152	T	A	0.0223
153	V	A	0.0000
154	T	A	-1.2354
155	D	A	-2.3768
156	N	A	-2.8416
157	A	A	0.0000
158	L	A	0.0000
159	A	A	-1.6433
160	G	A	-1.4058
161	A	A	0.0000
162	S	A	-1.0339
163	G	A	-0.8167
164	N	A	-0.7528
165	I	A	0.0000
166	G	A	0.0000
167	L	A	0.0000
168	N	A	0.0000
169	V	A	0.0000
170	A	A	0.0000
171	A	A	0.0000
172	G	A	0.0000
173	V	A	0.0000
174	G	A	0.0000
175	N	A	0.0000
176	A	A	0.0000
177	Q	A	0.0000
178	S	A	0.0000
179	N	A	0.0000
180	A	A	0.0000
181	L	A	0.0000
182	A	A	0.0000
183	A	A	0.0000
184	S	A	0.0000
185	V	A	0.9098
186	N	A	0.0000
187	S	A	-0.7354
188	S	A	-1.1360
189	G	A	0.0000
190	T	A	0.6913
191	I	A	1.7898
192	A	A	1.0293
193	K	A	0.0978
194	A	A	0.1994
195	S	A	-0.3599
196	A	A	-0.6297
197	D	A	-2.3339
198	S	A	-2.6022
199	E	A	-2.7240
200	Q	A	-1.6442
201	T	A	-0.3921
202	T	A	0.1470
203	F	A	1.1069
204	W	A	1.1554
205	N	A	0.2998
206	T	A	0.5059
207	L	A	0.6023
208	A	A	-0.3297
209	A	A	-1.7004
210	D	A	-2.6271
211	C	A	-1.2506
212	D	A	-1.8976
213	L	A	-1.1357
214	D	A	-2.2843
215	N	A	-1.6414
216	T	A	-0.6473
217	A	A	0.0583
218	L	A	0.8863
219	L	A	1.3057
220	S	A	-0.0615
221	G	A	-1.0757
222	S	A	-1.2310
223	A	A	-1.2378
224	L	A	-0.1962
225	S	A	-0.6479
226	G	A	-0.5217
227	A	A	-0.0325
228	I	A	1.4488
229	G	A	0.1808
230	N	A	-0.0229
231	I	A	1.0272
232	G	A	0.1157
233	V	A	0.5790
234	N	A	0.0000
235	V	A	0.5665
236	A	A	0.0000
237	A	A	-0.5918
238	G	A	0.0000
239	V	A	0.2984
240	G	A	-0.0574
241	N	A	-0.5994
242	A	A	-0.7410
243	Q	A	-0.7371
244	H	A	-1.3387
245	N	A	-0.6217
246	G	A	-0.9033
247	L	A	0.1469
248	S	A	0.0560
249	I	A	1.0101
250	A	A	0.8701
251	V	A	1.2871
252	A	A	0.8649
253	A	A	0.1743
254	C	A	-0.2112
255	E	A	-1.0963
256	L	A	0.4470
257	C	A	0.7773
258	A	A	0.2509
259	P	A	-0.0800
260	P	A	-0.7442
261	P	A	-1.0694
262	P	A	-1.2986
263	D	A	-1.9746
264	P	A	-0.9764
265	C	A	-0.0177
266	P	A	-0.2380
267	S	A	0.0057
268	C	A	0.1354
269	G	A	-0.8813
270	G	A	-1.5582
271	D	A	-2.0875