Project name: 294b84bddf5c720

Chain sequence(s)	A: MSHHHHHHSGMSEEEKIMEVHEKVMPHMEAAVDSALANGGVPDIAHFKEILKILEDFIKENMKDKENFDMVLSTIWNVFGSMVYMVLDRAREAADDPELALRTVVNMLRRIAEVTIHAFGVLYKTLKDNFKDDPEFVEKYFEKIKELLIEELQFIIDELRKLLEPLEDAPEEARREIEELIRWLEEKIKELEEDPEGFLEKAAEAELEENS
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                                          (00:06:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:56)

• Minimal score value: -4.9622
• Maximal score value: 0.6751
• Average score: -1.6816
• Total score value: -354.8112

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	0.5501
2	S	A	-0.6280
3	H	A	-1.7492
4	H	A	-2.3624
5	H	A	-2.7652
6	H	A	-2.7902
7	H	A	-2.5747
8	H	A	-2.1409
9	S	A	-1.2866
10	G	A	-1.2017
11	M	A	-1.1897
12	S	A	-1.5113
13	E	A	-2.3450
14	E	A	-2.9444
15	E	A	-2.8105
16	K	A	-2.0768
17	I	A	-1.6157
18	M	A	-1.7525
19	E	A	-2.6294
20	V	A	0.0000
21	H	A	-2.0273
22	E	A	-2.7162
23	K	A	-2.5634
24	V	A	0.0000
25	M	A	-1.2217
26	P	A	-1.2800
27	H	A	-1.7070
28	M	A	0.0000
29	E	A	-1.7163
30	A	A	-1.3771
31	A	A	0.0000
32	V	A	0.0000
33	D	A	-2.2042
34	S	A	-1.3403
35	A	A	0.0000
36	L	A	-0.4389
37	A	A	-0.6090
38	N	A	-1.2162
39	G	A	-0.5677
40	G	A	0.0000
41	V	A	0.1449
42	P	A	0.0000
43	D	A	-1.7924
44	I	A	-1.7543
45	A	A	-1.4612
46	H	A	-1.7724
47	F	A	0.0000
48	K	A	-3.0255
49	E	A	-2.9983
50	I	A	0.0000
51	L	A	0.0000
52	K	A	-3.0704
53	I	A	-2.1023
54	L	A	0.0000
55	E	A	-2.4154
56	D	A	-3.2551
57	F	A	0.0000
58	I	A	0.0000
59	K	A	-3.4784
60	E	A	-3.5837
61	N	A	0.0000
62	M	A	0.0000
63	K	A	-3.8497
64	D	A	-3.7688
65	K	A	-3.3589
66	E	A	-3.4225
67	N	A	-2.7881
68	F	A	0.0000
69	D	A	-2.0865
70	M	A	-1.3922
71	V	A	0.0000
72	L	A	0.0000
73	S	A	-0.7721
74	T	A	0.0000
75	I	A	0.0000
76	W	A	-0.2138
77	N	A	-0.7276
78	V	A	0.0000
79	F	A	0.0000
80	G	A	0.1584
81	S	A	0.2460
82	M	A	0.0000
83	V	A	0.0000
84	Y	A	0.6751
85	M	A	-0.3160
86	V	A	0.0000
87	L	A	0.0000
88	D	A	-2.9667
89	R	A	-3.2802
90	A	A	-2.7921
91	R	A	-3.9154
92	E	A	-3.9733
93	A	A	-2.9255
94	A	A	-2.8335
95	D	A	-3.1773
96	D	A	-2.8149
97	P	A	-2.4822
98	E	A	-2.4105
99	L	A	-1.2838
100	A	A	0.0000
101	L	A	0.0000
102	R	A	-1.1225
103	T	A	0.0000
104	V	A	0.0000
105	V	A	0.0000
106	N	A	-0.3293
107	M	A	0.0000
108	L	A	0.0000
109	R	A	-0.4628
110	R	A	0.0000
111	I	A	0.0000
112	A	A	0.0000
113	E	A	-0.7321
114	V	A	0.0000
115	T	A	0.0000
116	I	A	0.0000
117	H	A	0.0000
118	A	A	0.0000
119	F	A	0.0000
120	G	A	0.0000
121	V	A	0.0000
122	L	A	0.0000
123	Y	A	0.0000
124	K	A	-2.5583
125	T	A	0.0000
126	L	A	0.0000
127	K	A	-3.6191
128	D	A	-3.6175
129	N	A	-3.8790
130	F	A	0.0000
131	K	A	-4.1238
132	D	A	-3.6570
133	D	A	-3.0592
134	P	A	-3.1425
135	E	A	-3.5055
136	F	A	-2.8058
137	V	A	0.0000
138	E	A	-4.0383
139	K	A	-3.7625
140	Y	A	0.0000
141	F	A	0.0000
142	E	A	-3.8679
143	K	A	-3.0787
144	I	A	0.0000
145	K	A	-2.6018
146	E	A	-3.1978
147	L	A	-1.7744
148	L	A	0.0000
149	I	A	-1.9573
150	E	A	-2.1472
151	E	A	0.0000
152	L	A	0.0000
153	Q	A	-1.3652
154	F	A	-0.9657
155	I	A	0.0000
156	I	A	0.0000
157	D	A	-2.1708
158	E	A	-1.6454
159	L	A	0.0000
160	R	A	-3.5967
161	K	A	-3.3570
162	L	A	-1.9066
163	L	A	-2.7429
164	E	A	-3.1307
165	P	A	-2.2685
166	L	A	-2.3112
167	E	A	-3.2745
168	D	A	-2.9429
169	A	A	-2.4137
170	P	A	-2.7028
171	E	A	-3.8652
172	E	A	-3.9934
173	A	A	0.0000
174	R	A	-3.7909
175	R	A	-4.4388
176	E	A	-3.7706
177	I	A	0.0000
178	E	A	-4.1233
179	E	A	-3.9221
180	L	A	0.0000
181	I	A	0.0000
182	R	A	-3.5393
183	W	A	-2.5085
184	L	A	0.0000
185	E	A	-3.2667
186	E	A	-4.0307
187	K	A	-3.2512
188	I	A	-3.3772
189	K	A	-4.7853
190	E	A	-4.9622
191	L	A	0.0000
192	E	A	-4.9126
193	E	A	-4.7495
194	D	A	-4.2199
195	P	A	-3.9024
196	E	A	-3.1427
197	G	A	-2.6256
198	F	A	0.0000
199	L	A	0.0000
200	E	A	-3.3232
201	K	A	-3.2842
202	A	A	0.0000
203	A	A	-2.2769
204	E	A	-3.1918
205	A	A	-2.6373
206	E	A	-3.1384
207	L	A	0.0000
208	E	A	-3.7651
209	E	A	-3.5787
210	N	A	-2.7917
211	S	A	-1.9649