Project name: 58f422bc50e892a

Chain sequence(s)	A: MSEMITRQQVTSGETIHVRTDPTACIGSHPNCRMFIDSLTIAGEKLDKNIVAIDGGEDVTKADSATAAASVIRMSITPGSINPTISITLGVLIKSNVRTKIEEKVSSILQASATDMKIKLGNSNKKQEYKTDEAWGIMIDLSNLELYPISAKAFSISIEPTELMGVSKDGMRYHIISIDGLTTSQGSLPVCCAASTDKGVAKIGYIA
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                                          (00:01:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -3.3396
• Maximal score value: 2.5026
• Average score: -0.7354
• Total score value: -152.2207

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
3	M	A	0.7648
4	S	A	0.2079
5	E	A	-0.0113
6	M	A	-0.3319
7	I	A	0.0000
8	T	A	-0.8741
9	R	A	-1.9582
10	Q	A	-2.2064
11	Q	A	-1.9373
12	V	A	-1.2465
13	T	A	-1.2564
14	S	A	-1.5089
15	G	A	-1.9343
16	E	A	-2.3844
17	T	A	-1.1962
18	I	A	0.0000
19	H	A	-1.3178
20	V	A	0.0000
21	R	A	-2.8973
22	T	A	-2.3387
23	D	A	-2.5907
24	P	A	-1.0974
25	T	A	-0.2034
26	A	A	0.0000
27	C	A	0.0000
28	I	A	0.6283
29	G	A	-0.2172
30	S	A	-0.8550
31	H	A	-0.9796
32	P	A	-0.9610
33	N	A	-1.6333
34	C	A	-1.1749
35	R	A	0.0000
36	M	A	0.0000
37	F	A	0.0000
38	I	A	0.0000
39	D	A	-1.5497
40	S	A	-1.8578
41	L	A	0.0000
42	T	A	-1.8070
43	I	A	0.0000
44	A	A	0.0000
45	G	A	-1.8610
46	E	A	-2.5686
47	K	A	-2.9311
48	L	A	0.0000
49	D	A	-3.0111
50	K	A	-2.4331
51	N	A	-1.2799
52	I	A	0.0000
53	V	A	0.1970
54	A	A	0.0000
55	I	A	0.0000
56	D	A	-1.2635
57	G	A	0.0000
58	G	A	-1.5280
59	E	A	-2.2066
60	D	A	-2.1870
61	V	A	-1.1221
62	T	A	-1.4349
63	K	A	-2.5338
64	A	A	-1.8355
65	D	A	-2.0731
66	S	A	-1.2658
67	A	A	-0.8806
68	T	A	-0.6113
69	A	A	0.0000
70	A	A	0.0000
71	A	A	0.0000
72	S	A	0.0000
73	V	A	0.0000
74	I	A	0.0000
75	R	A	-2.5554
76	M	A	0.0000
77	S	A	-0.9581
78	I	A	0.0000
79	T	A	-0.7809
80	P	A	-0.7640
81	G	A	-0.1387
82	S	A	0.8632
83	I	A	2.2682
84	N	A	0.6593
85	P	A	0.0000
86	T	A	-0.3001
87	I	A	0.0000
88	S	A	-0.8413
89	I	A	0.0000
90	T	A	0.0000
91	L	A	0.0000
92	G	A	0.0000
93	V	A	0.0000
94	L	A	-0.3804
95	I	A	0.0000
96	K	A	-1.3048
97	S	A	-1.6773
98	N	A	-1.9995
99	V	A	-1.8072
100	R	A	-2.2121
101	T	A	-2.4218
102	K	A	-3.3396
103	I	A	0.0000
104	E	A	-2.5018
105	E	A	-3.2737
106	K	A	-2.7389
107	V	A	0.0000
108	S	A	-1.5656
109	S	A	-1.3377
110	I	A	-1.1981
111	L	A	-1.3209
112	Q	A	-1.3158
113	A	A	-0.7859
114	S	A	-0.9569
115	A	A	-0.9771
116	T	A	-0.8916
117	D	A	-1.9807
118	M	A	0.0000
119	K	A	-1.6431
120	I	A	0.0000
121	K	A	-1.6974
122	L	A	0.0000
123	G	A	-1.6057
124	N	A	-2.1208
125	S	A	0.0000
126	N	A	0.0000
127	K	A	-2.3708
128	K	A	-1.8509
129	Q	A	0.0000
130	E	A	-0.5506
131	Y	A	-0.3388
132	K	A	0.0000
133	T	A	-0.9226
134	D	A	-1.7754
135	E	A	-2.0763
136	A	A	-1.0670
137	W	A	-0.7496
138	G	A	0.0000
139	I	A	-0.8282
140	M	A	0.0000
141	I	A	0.0000
142	D	A	-0.7515
143	L	A	0.0000
144	S	A	-1.7990
145	N	A	-2.1222
146	L	A	0.0000
147	E	A	-1.7136
148	L	A	0.0000
149	Y	A	-0.5282
150	P	A	0.0000
151	I	A	0.5543
152	S	A	-0.2307
153	A	A	-0.8799
154	K	A	-1.6679
155	A	A	-0.8084
156	F	A	0.0000
157	S	A	-0.7014
158	I	A	-0.2850
159	S	A	-0.5834
160	I	A	0.0000
161	E	A	-1.3395
162	P	A	-1.2126
163	T	A	-0.7440
164	E	A	-1.0690
165	L	A	0.3919
166	M	A	0.5135
167	G	A	0.0869
168	V	A	0.6286
169	S	A	-0.5722
170	K	A	-1.9080
171	D	A	-1.8227
172	G	A	-0.9176
173	M	A	-0.6722
174	R	A	-0.7196
175	Y	A	0.0000
176	H	A	0.0000
177	I	A	-0.2978
178	I	A	0.0000
179	S	A	-0.5942
180	I	A	0.0000
181	D	A	-1.0334
182	G	A	-0.5234
183	L	A	0.0000
184	T	A	0.0000
185	T	A	0.0000
186	S	A	0.0636
187	Q	A	-0.6109
188	G	A	0.5858
189	S	A	-0.0496
190	L	A	0.0000
191	P	A	-0.0597
192	V	A	0.0000
193	C	A	0.0000
194	C	A	0.0000
195	A	A	-0.5391
196	A	A	-1.0430
197	S	A	-0.9511
198	T	A	-0.9965
199	D	A	-1.5865
200	K	A	-1.7841
201	G	A	-0.5387
202	V	A	0.8819
203	A	A	0.0000
204	K	A	-0.9830
205	I	A	0.0000
206	G	A	0.0000
207	Y	A	2.4074
208	I	A	2.5026
209	A	A	1.4905