Project name: a67e5f4ed9bba25

Chain sequence(s)	A: MSHHHHHHSGMEPVSEEKLKKVREILEKLYKETSKILKEAIEKMNYLEEHGKYMWNYIHEGNNRIGKEALKKLGELFKKSFLEILKTLGGISEENMKKAEELIEKTKEELEKAEVWSSEELAINFVKVLIKFAIELLKILEKEEPSVVEALKPLLKEFIEKLIKEFNIEKYIKERDVREIAFIAIDSLPEELKNSPLYEEFVNLVITSNLSVEELLEKLKELAKKNPEAEPILKTFEEVIELNS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:11)

• Minimal score value: -4.3243
• Maximal score value: 1.4495
• Average score: -1.6586
• Total score value: -404.7007

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	0.5559
2	S	A	-0.6141
3	H	A	-1.7308
4	H	A	-2.3124
5	H	A	-2.7368
6	H	A	-2.6991
7	H	A	-2.5712
8	H	A	-2.3412
9	S	A	-1.7553
10	G	A	-1.4546
11	M	A	-0.7356
12	E	A	-1.8238
13	P	A	-1.3285
14	V	A	-1.3523
15	S	A	-2.1606
16	E	A	-3.5201
17	E	A	-4.0139
18	K	A	-3.5811
19	L	A	-2.9172
20	K	A	-4.2652
21	K	A	-4.3243
22	V	A	0.0000
23	R	A	-3.2952
24	E	A	-3.7151
25	I	A	-2.6458
26	L	A	0.0000
27	E	A	-3.8495
28	K	A	-3.7313
29	L	A	0.0000
30	Y	A	-2.6122
31	K	A	-3.5447
32	E	A	-3.1474
33	T	A	0.0000
34	S	A	-2.5485
35	K	A	-3.0862
36	I	A	-2.2918
37	L	A	0.0000
38	K	A	-3.1139
39	E	A	-3.5202
40	A	A	0.0000
41	I	A	-2.4220
42	E	A	-3.2224
43	K	A	-2.7565
44	M	A	0.0000
45	N	A	-2.0699
46	Y	A	-1.1220
47	L	A	-1.1152
48	E	A	-1.7823
49	E	A	-2.7013
50	H	A	-1.9175
51	G	A	0.0000
52	K	A	-1.3844
53	Y	A	0.5631
54	M	A	0.8286
55	W	A	0.7967
56	N	A	-0.2969
57	Y	A	0.4438
58	I	A	0.0000
59	H	A	-0.8386
60	E	A	-1.4892
61	G	A	-1.3046
62	N	A	0.0000
63	N	A	-2.4268
64	R	A	-3.2422
65	I	A	-2.3249
66	G	A	0.0000
67	K	A	-3.8589
68	E	A	-3.4063
69	A	A	0.0000
70	L	A	0.0000
71	K	A	-3.3503
72	K	A	-2.6849
73	L	A	0.0000
74	G	A	0.0000
75	E	A	-3.0313
76	L	A	-1.8622
77	F	A	0.0000
78	K	A	-2.7498
79	K	A	-2.7038
80	S	A	0.0000
81	F	A	0.0000
82	L	A	-2.0656
83	E	A	-2.9581
84	I	A	0.0000
85	L	A	0.0000
86	K	A	-2.4236
87	T	A	-2.0135
88	L	A	0.0000
89	G	A	-1.1438
90	G	A	-1.4064
91	I	A	-1.5223
92	S	A	-2.2549
93	E	A	-3.3001
94	E	A	-3.6101
95	N	A	0.0000
96	M	A	-3.0191
97	K	A	-4.1634
98	K	A	-3.8567
99	A	A	0.0000
100	E	A	-3.7408
101	E	A	-4.1606
102	L	A	0.0000
103	I	A	0.0000
104	E	A	-4.1221
105	K	A	-3.9583
106	T	A	0.0000
107	K	A	-3.5934
108	E	A	-3.8788
109	E	A	-3.3518
110	L	A	0.0000
111	E	A	-3.8137
112	K	A	-3.4371
113	A	A	-2.7057
114	E	A	-2.9384
115	V	A	0.0000
116	W	A	-0.8718
117	S	A	-0.9293
118	S	A	-1.6156
119	E	A	-1.9191
120	E	A	-1.3061
121	L	A	0.0000
122	A	A	0.0000
123	I	A	-0.7213
124	N	A	-0.9389
125	F	A	0.0000
126	V	A	0.0000
127	K	A	-0.4873
128	V	A	0.0000
129	L	A	0.0000
130	I	A	0.0000
131	K	A	-0.8124
132	F	A	0.0000
133	A	A	0.0000
134	I	A	-0.8933
135	E	A	-1.3351
136	L	A	0.0000
137	L	A	0.0000
138	K	A	-2.0438
139	I	A	-1.9288
140	L	A	0.0000
141	E	A	-3.7339
142	K	A	-3.6132
143	E	A	-3.1319
144	E	A	0.0000
145	P	A	-2.2132
146	S	A	-1.4192
147	V	A	0.0000
148	V	A	0.0000
149	E	A	-2.3231
150	A	A	-1.3243
151	L	A	0.0000
152	K	A	-1.4662
153	P	A	-1.2162
154	L	A	0.0000
155	L	A	0.0000
156	K	A	-1.3686
157	E	A	-1.5574
158	F	A	0.0000
159	I	A	0.0000
160	E	A	-2.9300
161	K	A	-2.6882
162	L	A	0.0000
163	I	A	0.0000
164	K	A	-3.5288
165	E	A	-3.3245
166	F	A	-2.4035
167	N	A	-3.2437
168	I	A	0.0000
169	E	A	-3.8715
170	K	A	-2.8615
171	Y	A	-1.7934
172	I	A	0.0000
173	K	A	-3.5723
174	E	A	-3.1997
175	R	A	-3.0519
176	D	A	-2.5647
177	V	A	-1.9474
178	R	A	-1.6629
179	E	A	-1.8238
180	I	A	0.0000
181	A	A	0.0000
182	F	A	0.3703
183	I	A	0.0000
184	A	A	0.0000
185	I	A	0.0000
186	D	A	-1.4209
187	S	A	-1.0205
188	L	A	0.0000
189	P	A	-2.0624
190	E	A	-3.3879
191	E	A	-3.2409
192	L	A	0.0000
193	K	A	-2.8028
194	N	A	-2.7968
195	S	A	-2.3010
196	P	A	-1.7649
197	L	A	0.0000
198	Y	A	-1.9370
199	E	A	-2.9527
200	E	A	-2.6830
201	F	A	0.0000
202	V	A	-0.5261
203	N	A	-0.7375
204	L	A	-0.3233
205	V	A	0.0000
206	I	A	1.4495
207	T	A	0.3756
208	S	A	-0.3962
209	N	A	-1.2294
210	L	A	-1.1870
211	S	A	-1.8114
212	V	A	-1.9605
213	E	A	-2.8953
214	E	A	-3.2529
215	L	A	0.0000
216	L	A	-2.5838
217	E	A	-3.9371
218	K	A	-3.4898
219	L	A	0.0000
220	K	A	-3.8691
221	E	A	-4.0737
222	L	A	-3.4514
223	A	A	-3.8263
224	K	A	-4.1393
225	K	A	-3.7957
226	N	A	-3.2821
227	P	A	-2.7139
228	E	A	-3.0118
229	A	A	0.0000
230	E	A	-3.0597
231	P	A	-1.7918
232	I	A	0.0000
233	L	A	-2.2481
234	K	A	-2.5071
235	T	A	-1.7317
236	F	A	0.0000
237	E	A	-2.0012
238	E	A	-2.2712
239	V	A	0.0000
240	I	A	-1.7746
241	E	A	-2.2901
242	L	A	-1.3752
243	N	A	0.0000
244	S	A	-1.6889