Project name: s0v15ee

Chain sequence(s)	A: EEEWFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGSGSGSEIAALEKEIAALEKEIAALERKIAALKKKIAALKKKIAALKKKIAALKKKGSGSGSENLYFQSGSGSGSEWFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGSGSGSEIAALEKEIAALEKEIAALERKIAALKAAIAAAVKKGSGSGSYPYDVPDYA
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]                                                (00:00:01)
[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 minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:12)

• Minimal score value: -3.9081
• Maximal score value: 1.8967
• Average score: -1.5561
• Total score value: -333.0003

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	E	A	-3.2586
2	E	A	-3.5138
3	E	A	-2.9437
4	W	A	-1.0170
5	F	A	0.5215
6	W	A	-0.2460
7	A	A	0.0000
8	E	A	-1.6720
9	W	A	-0.1282
10	C	A	-0.3798
11	G	A	-0.6747
12	P	A	-0.1914
13	C	A	-0.2588
14	K	A	-1.1626
15	M	A	0.5854
16	I	A	0.5348
17	A	A	-0.4420
18	P	A	-0.6055
19	I	A	-0.1624
20	L	A	0.0000
21	D	A	-2.7656
22	E	A	-3.1635
23	I	A	-1.7890
24	A	A	-2.5568
25	D	A	-3.9081
26	E	A	-3.4658
27	Y	A	-2.2303
28	Q	A	-2.8058
29	G	A	-2.0927
30	K	A	-2.8304
31	L	A	-2.2671
32	T	A	-1.9202
33	V	A	-1.4823
34	A	A	-1.3601
35	K	A	-1.0335
36	L	A	-0.3594
37	N	A	-1.0651
38	I	A	-1.0364
39	D	A	-1.8151
40	Q	A	-2.1588
41	N	A	-2.2796
42	P	A	-1.7213
43	G	A	-1.4523
44	S	A	-1.1833
45	G	A	-1.1879
46	S	A	-1.1455
47	G	A	-1.0003
48	S	A	-1.1061
49	E	A	-1.7563
50	I	A	-0.5356
51	A	A	-1.0798
52	A	A	-1.1884
53	L	A	-0.5263
54	E	A	-2.1492
55	K	A	-2.8130
56	E	A	-2.3856
57	I	A	-1.4686
58	A	A	-2.1952
59	A	A	-2.2765
60	L	A	-2.1926
61	E	A	-2.8772
62	K	A	-3.3689
63	E	A	-3.0321
64	I	A	-2.1350
65	A	A	-2.5501
66	A	A	-2.5405
67	L	A	-2.6302
68	E	A	-3.4799
69	R	A	-3.5516
70	K	A	-3.3155
71	I	A	0.0000
72	A	A	-2.5473
73	A	A	-2.3759
74	L	A	-2.5591
75	K	A	-3.0049
76	K	A	-3.0313
77	K	A	-2.4270
78	I	A	-2.5455
79	A	A	-2.2284
80	A	A	-2.1737
81	L	A	-2.4399
82	K	A	-3.1736
83	K	A	-3.1906
84	K	A	-2.8823
85	I	A	-2.8748
86	A	A	-2.4251
87	A	A	-2.3587
88	L	A	0.0000
89	K	A	-3.3420
90	K	A	-3.2736
91	K	A	-2.8857
92	I	A	0.0000
93	A	A	-2.5854
94	A	A	-2.6101
95	L	A	-2.8220
96	K	A	-3.5551
97	K	A	-3.7109
98	K	A	-3.5085
99	G	A	-2.9033
100	S	A	-2.6087
101	G	A	-2.5340
102	S	A	-2.0449
103	G	A	-1.5830
104	S	A	-1.3964
105	E	A	-2.1715
106	N	A	-0.9610
107	L	A	1.2982
108	Y	A	1.6911
109	F	A	1.8967
110	Q	A	-0.0302
111	S	A	-0.3956
112	G	A	-0.9598
113	S	A	-1.0100
114	G	A	-1.3895
115	S	A	-1.2983
116	G	A	-1.5198
117	S	A	-1.1745
118	E	A	-1.3663
119	W	A	0.1039
120	F	A	1.6921
121	W	A	0.3327
122	A	A	0.0000
123	E	A	-1.8044
124	W	A	-0.1323
125	C	A	-0.3886
126	G	A	-0.7549
127	P	A	-0.5065
128	C	A	-0.2484
129	K	A	-1.2902
130	M	A	0.4412
131	I	A	0.2855
132	A	A	-0.4411
133	P	A	-0.4769
134	I	A	0.1074
135	L	A	-0.7410
136	D	A	-2.6003
137	E	A	-2.9694
138	I	A	-1.5690
139	A	A	-2.3800
140	D	A	-3.7943
141	E	A	-3.5078
142	Y	A	-2.3689
143	Q	A	-2.8587
144	G	A	-2.1388
145	K	A	-2.5955
146	L	A	-1.5225
147	T	A	-1.3166
148	V	A	-1.1676
149	A	A	-0.7524
150	K	A	-0.9338
151	L	A	-0.1739
152	N	A	0.0000
153	I	A	-0.5145
154	D	A	-1.8373
155	Q	A	-2.1811
156	N	A	-1.9571
157	P	A	-1.8357
158	G	A	-1.4646
159	S	A	-1.1645
160	G	A	-1.2786
161	S	A	-1.5498
162	G	A	-1.4777
163	S	A	-1.4459
164	E	A	-1.6861
165	I	A	-1.8675
166	A	A	-1.5653
167	A	A	-1.7886
168	L	A	0.0000
169	E	A	-3.2987
170	K	A	-3.3673
171	E	A	-3.1537
172	I	A	-2.9797
173	A	A	-2.4934
174	A	A	-2.3647
175	L	A	-2.5834
176	E	A	-3.2562
177	K	A	-3.1983
178	E	A	-2.4403
179	I	A	-2.6735
180	A	A	-2.3968
181	A	A	-2.3325
182	L	A	-2.5834
183	E	A	-3.3047
184	R	A	-3.2818
185	K	A	-2.9034
186	I	A	0.0000
187	A	A	-1.8963
188	A	A	-1.5001
189	L	A	0.0000
190	K	A	-1.9222
191	A	A	-0.5105
192	A	A	-0.1462
193	I	A	-0.7308
194	A	A	-0.2753
195	A	A	-0.6204
196	A	A	0.0000
197	V	A	0.1913
198	K	A	-1.9206
199	K	A	-2.3087
200	G	A	-1.3967
201	S	A	-1.7783
202	G	A	-1.9671
203	S	A	-1.1145
204	G	A	-0.9133
205	S	A	0.1121
206	Y	A	1.2089
207	P	A	0.6878
208	Y	A	1.2537
209	D	A	-0.4424
210	V	A	1.1107
211	P	A	-0.0461
212	D	A	-0.9775
213	Y	A	0.7310
214	A	A	0.1057