Project name: f5fe4f49d9e66af

Chain sequence(s)	A: GIINTLQKYYCRVRGGRCAVLSCLPKEEQIGKCSTRGRKCCRRKKEAAAKSSQTIEIYKQAAYSSYMGPIAVYAAYLKVDASFFFLAAYMSCVDTHAKKAAYYSNNASQFYIAAYLGSISPTYAKAAYMHASSLSSMYAAYISVPSQPSGFGPGPGESIITSDPEWDGPGPGDIASSSVSSSSKKKHNRVDGSTSASHLDMSTNKKNSGSTAKDSSETKTSGSAKSVSSISSEAAAK
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                                          (00:03:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:14)

• Minimal score value: -5.1142
• Maximal score value: 2.7757
• Average score: -0.5243
• Total score value: -124.2607

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	G	A	0.9682
2	I	A	2.6849
3	I	A	2.7757
4	N	A	1.1347
5	T	A	1.2190
6	L	A	1.5967
7	Q	A	0.5363
8	K	A	-0.5197
9	Y	A	0.9465
10	Y	A	0.3041
11	C	A	0.0000
12	R	A	-1.7786
13	V	A	0.0789
14	R	A	-1.8480
15	G	A	-2.4561
16	G	A	0.0000
17	R	A	-2.6931
18	C	A	-1.4764
19	A	A	-0.0856
20	V	A	1.1744
21	L	A	1.2252
22	S	A	0.6721
23	C	A	-0.3079
24	L	A	0.2256
25	P	A	-1.0465
26	K	A	-3.0289
27	E	A	-3.3524
28	E	A	-3.2604
29	Q	A	-2.4100
30	I	A	-1.4028
31	G	A	-1.4661
32	K	A	-2.6826
33	C	A	0.0000
34	S	A	-1.0211
35	T	A	-1.6570
36	R	A	-2.3891
37	G	A	-1.2896
38	R	A	-1.8451
39	K	A	-1.8971
40	C	A	0.0000
41	C	A	0.0000
42	R	A	-3.9016
43	R	A	-4.8395
44	K	A	-5.1142
45	K	A	-4.5488
46	E	A	-4.2465
47	A	A	-3.7526
48	A	A	-2.7629
49	A	A	-2.2307
50	K	A	-3.1886
51	S	A	-1.3874
52	S	A	-0.9316
53	Q	A	-1.3271
54	T	A	-0.0934
55	I	A	0.5776
56	E	A	-1.2290
57	I	A	0.9028
58	Y	A	1.0028
59	K	A	-1.0396
60	Q	A	-0.7011
61	A	A	0.3107
62	A	A	0.3838
63	Y	A	1.2093
64	S	A	0.5384
65	S	A	0.5603
66	Y	A	1.8043
67	M	A	1.7474
68	G	A	1.1778
69	P	A	1.3615
70	I	A	2.0392
71	A	A	1.6974
72	V	A	2.0728
73	Y	A	2.3145
74	A	A	1.1484
75	A	A	0.9456
76	Y	A	1.1983
77	L	A	0.6110
78	K	A	-0.5827
79	V	A	0.4748
80	D	A	0.0000
81	A	A	0.7740
82	S	A	0.9046
83	F	A	1.5724
84	F	A	2.3595
85	F	A	2.6893
86	L	A	2.0466
87	A	A	1.5535
88	A	A	1.7892
89	Y	A	2.1879
90	M	A	0.0000
91	S	A	0.5713
92	C	A	0.7502
93	V	A	0.0000
94	D	A	-0.4064
95	T	A	-0.7366
96	H	A	-1.0390
97	A	A	0.0000
98	K	A	-1.1225
99	K	A	-1.2194
100	A	A	0.0000
101	A	A	-0.6345
102	Y	A	0.7943
103	Y	A	0.9681
104	S	A	-0.2812
105	N	A	-1.3823
106	N	A	-1.1540
107	A	A	-0.1958
108	S	A	0.0000
109	Q	A	0.4456
110	F	A	1.9057
111	Y	A	1.2776
112	I	A	0.0000
113	A	A	0.7973
114	A	A	0.8014
115	Y	A	1.1593
116	L	A	0.0000
117	G	A	-0.2006
118	S	A	0.0405
119	I	A	0.3697
120	S	A	-0.3582
121	P	A	-0.7573
122	T	A	-0.5703
123	Y	A	-0.0996
124	A	A	-0.2647
125	K	A	-1.2255
126	A	A	-0.3848
127	A	A	0.0000
128	Y	A	0.5384
129	M	A	0.6739
130	H	A	-0.1543
131	A	A	0.0000
132	S	A	-0.2171
133	S	A	-0.1104
134	L	A	0.0563
135	S	A	-0.3083
136	S	A	-0.1332
137	M	A	0.0000
138	Y	A	0.0000
139	A	A	-0.2581
140	A	A	-0.0783
141	Y	A	0.0000
142	I	A	0.0000
143	S	A	-0.1874
144	V	A	0.0000
145	P	A	0.0796
146	S	A	0.4020
147	Q	A	0.0000
148	P	A	-0.1652
149	S	A	-0.2429
150	G	A	-0.1409
151	F	A	1.1426
152	G	A	0.4045
153	P	A	-0.3300
154	G	A	0.0000
155	P	A	-0.5993
156	G	A	-1.3638
157	E	A	-1.9956
158	S	A	-0.7282
159	I	A	-0.0813
160	I	A	0.1762
161	T	A	-0.2061
162	S	A	-0.3594
163	D	A	0.0000
164	P	A	-1.5078
165	E	A	-1.7071
166	W	A	-0.6117
167	D	A	-1.8095
168	G	A	-1.1501
169	P	A	-1.0780
170	G	A	-1.0709
171	P	A	-0.8879
172	G	A	-1.0950
173	D	A	-1.3347
174	I	A	-0.6398
175	A	A	0.0000
176	S	A	0.0000
177	S	A	0.2856
178	S	A	0.2654
179	V	A	0.0000
180	S	A	0.0000
181	S	A	-1.0729
182	S	A	-1.6988
183	S	A	0.0000
184	K	A	-2.4309
185	K	A	-3.2694
186	K	A	-4.1776
187	H	A	-3.7172
188	N	A	-3.4148
189	R	A	-3.5217
190	V	A	-2.0155
191	D	A	-2.4488
192	G	A	-1.7999
193	S	A	-1.4670
194	T	A	-1.0567
195	S	A	-0.3827
196	A	A	-0.4989
197	S	A	-0.5401
198	H	A	-0.9019
199	L	A	0.0000
200	D	A	-1.2145
201	M	A	-0.9405
202	S	A	0.0000
203	T	A	-1.3618
204	N	A	-2.0619
205	K	A	-1.9980
206	K	A	-1.6791
207	N	A	-2.0449
208	S	A	-1.5603
209	G	A	-1.3327
210	S	A	-1.5819
211	T	A	-1.3842
212	A	A	-1.3288
213	K	A	-2.7702
214	D	A	-2.9862
215	S	A	-1.9359
216	S	A	-2.1633
217	E	A	-3.1159
218	T	A	0.0000
219	K	A	-1.7800
220	T	A	0.0000
221	S	A	0.0000
222	G	A	0.0000
223	S	A	0.0000
224	A	A	0.0000
225	K	A	-0.7494
226	S	A	0.0000
227	V	A	-0.2164
228	S	A	-0.2678
229	S	A	-0.4221
230	I	A	-0.6455
231	S	A	-0.6926
232	S	A	-1.0967
233	E	A	-1.9312
234	A	A	-1.2566
235	A	A	-0.9790
236	A	A	-1.3063
237	K	A	-2.0693