Project name: cc2e0a8cf4d1831

Chain sequence(s)	A: MSEHVNKYTEYEARTKAIETLLYERGLITPAAVDRVVSYYENEIGPMGGAKVVAKSWVDPEYRKWLEEDATAAMASLGYAGEQAHQISAVFNDSQTHHVVVCTLCSCYPWPVLGLPPAWYKSMEYRSRVVADPRGVLKRDFGFDIPDEVEVRVWDSSSEIRYIVIPERPAGTDLWSEEELTKLVSRDSMIGVSNALTPQEVIV
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                                          (00:02:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:22)

• Minimal score value: -3.8924
• Maximal score value: 2.2543
• Average score: -0.8402
• Total score value: -170.5508

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	0.2715
2	S	A	-0.6522
3	E	A	-1.8142
4	H	A	-1.6015
5	V	A	-0.2188
6	N	A	-1.5172
7	K	A	-1.7708
8	Y	A	-0.8491
9	T	A	-1.1438
10	E	A	-2.0648
11	Y	A	-0.6841
12	E	A	-1.6608
13	A	A	-1.7407
14	R	A	-2.1625
15	T	A	-1.4461
16	K	A	-1.6043
17	A	A	-0.3020
18	I	A	0.7467
19	E	A	0.2759
20	T	A	0.0499
21	L	A	0.8030
22	L	A	0.8121
23	Y	A	0.7052
24	E	A	-1.3995
25	R	A	-1.6140
26	G	A	-0.3885
27	L	A	1.2068
28	I	A	1.1794
29	T	A	0.0319
30	P	A	-0.5732
31	A	A	-0.5504
32	A	A	0.0920
33	V	A	-0.0284
34	D	A	-1.4539
35	R	A	-1.4263
36	V	A	0.6194
37	V	A	0.0812
38	S	A	-1.2402
39	Y	A	-0.8441
40	Y	A	-0.4982
41	E	A	-2.1381
42	N	A	-2.4701
43	E	A	-2.2063
44	I	A	-0.9115
45	G	A	-0.4884
46	P	A	0.0666
47	M	A	0.0482
48	G	A	0.0000
49	G	A	0.0000
50	A	A	0.0000
51	K	A	-1.7625
52	V	A	0.0000
53	V	A	0.0000
54	A	A	0.0000
55	K	A	-1.8145
56	S	A	0.0000
57	W	A	0.0000
58	V	A	-0.6436
59	D	A	-1.4393
60	P	A	-1.7432
61	E	A	-2.8016
62	Y	A	0.0000
63	R	A	-2.7361
64	K	A	-3.6452
65	W	A	-2.4627
66	L	A	0.0000
67	E	A	-3.6729
68	E	A	-3.4646
69	D	A	-2.6163
70	A	A	0.0000
71	T	A	-1.2337
72	A	A	-0.5404
73	A	A	0.0000
74	M	A	0.0000
75	A	A	-0.0747
76	S	A	0.0376
77	L	A	0.2975
78	G	A	-0.1097
79	Y	A	-0.0248
80	A	A	-0.8114
81	G	A	-1.5941
82	E	A	-2.5554
83	Q	A	-1.8167
84	A	A	0.0000
85	H	A	-2.3771
86	Q	A	-2.2210
87	I	A	0.0000
88	S	A	-0.8885
89	A	A	-0.8422
90	V	A	0.0000
91	F	A	-0.9057
92	N	A	-1.9296
93	D	A	-2.8341
94	S	A	-2.2909
95	Q	A	-2.6489
96	T	A	-2.3299
97	H	A	0.0000
98	H	A	0.0000
99	V	A	0.0000
100	V	A	0.0000
101	V	A	0.0000
102	C	A	0.0000
103	T	A	0.6469
104	L	A	1.5848
105	C	A	1.0913
106	S	A	0.3104
107	C	A	0.0269
108	Y	A	0.0000
109	P	A	0.0000
110	W	A	0.1673
111	P	A	0.0000
112	V	A	0.0000
113	L	A	0.0000
114	G	A	0.0000
115	L	A	0.6631
116	P	A	0.0000
117	P	A	0.0000
118	A	A	0.0303
119	W	A	-0.1346
120	Y	A	0.0000
121	K	A	-0.4502
122	S	A	-0.4201
123	M	A	-0.0205
124	E	A	-1.7462
125	Y	A	0.0000
126	R	A	-0.4471
127	S	A	-0.7458
128	R	A	-1.5540
129	V	A	0.0000
130	V	A	0.1266
131	A	A	-0.5581
132	D	A	-1.7919
133	P	A	-1.2203
134	R	A	-2.4097
135	G	A	-2.4903
136	V	A	0.0000
137	L	A	0.0000
138	K	A	-3.3251
139	R	A	-3.5933
140	D	A	-2.8700
141	F	A	-1.5114
142	G	A	-2.0161
143	F	A	-2.0339
144	D	A	-2.7551
145	I	A	-1.9963
146	P	A	-2.3356
147	D	A	-3.2416
148	E	A	-3.3104
149	V	A	-2.9783
150	E	A	-3.2489
151	V	A	-1.9719
152	R	A	-1.5795
153	V	A	-0.2482
154	W	A	-0.1554
155	D	A	-0.3099
156	S	A	0.0000
157	S	A	-0.3857
158	S	A	-1.0928
159	E	A	-2.3288
160	I	A	-1.1006
161	R	A	0.0000
162	Y	A	0.0541
163	I	A	0.0000
164	V	A	0.0000
165	I	A	0.0000
166	P	A	0.0000
167	E	A	-2.7093
168	R	A	-1.7928
169	P	A	-1.1301
170	A	A	-0.8189
171	G	A	-0.7373
172	T	A	0.0000
173	D	A	-1.0728
174	L	A	0.3958
175	W	A	-0.6259
176	S	A	-1.7041
177	E	A	-3.3309
178	E	A	-3.8924
179	E	A	-2.9254
180	L	A	0.0000
181	T	A	0.0000
182	K	A	-2.5855
183	L	A	0.0000
184	V	A	0.0000
185	S	A	-0.8295
186	R	A	-0.8428
187	D	A	-0.9442
188	S	A	0.0000
189	M	A	0.0000
190	I	A	0.0000
191	G	A	0.0000
192	V	A	0.0000
193	S	A	-1.0211
194	N	A	-1.6366
195	A	A	0.0000
196	L	A	-0.8312
197	T	A	-0.9535
198	P	A	-0.7347
199	Q	A	-0.9656
200	E	A	-1.1129
201	V	A	0.4062
202	I	A	2.2367
203	V	A	2.2543