Project name: 3316a42dae859a6

Chain sequence(s)	A: HAGRTGYDNREIVMKYIHYKLSQRGYEWDAGDDVEENRTEAPEGTESEVVHLALRQAGDDFSRRYRGDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSMR
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                                          (00:02:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:15)

• Minimal score value: -4.2629
• Maximal score value: 1.174
• Average score: -1.431
• Total score value: -234.6845

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	H	A	-1.3385
4	A	A	-1.1134
5	G	A	-1.7074
6	R	A	-2.3358
7	T	A	-1.6428
8	G	A	-1.7122
9	Y	A	0.0000
10	D	A	-3.2238
11	N	A	-3.0503
12	R	A	-3.2536
13	E	A	-3.1003
14	I	A	0.0000
15	V	A	0.0000
16	M	A	-1.6807
17	K	A	-1.8667
18	Y	A	0.0000
19	I	A	0.0000
20	H	A	-1.8026
21	Y	A	-1.0761
22	K	A	-1.3227
23	L	A	0.0000
24	S	A	-1.9890
25	Q	A	-2.3486
26	R	A	-2.8031
27	G	A	-2.1536
28	Y	A	-1.8219
29	E	A	-2.5933
30	W	A	-2.1557
31	D	A	-3.2291
32	A	A	-2.2855
33	G	A	-2.5350
34	D	A	-3.4508
35	D	A	-3.2902
36	V	A	-2.4517
37	E	A	-3.6139
38	E	A	-3.9780
39	N	A	-3.2930
40	R	A	-3.6506
41	T	A	-2.4489
42	E	A	-3.2261
43	A	A	-2.0175
44	P	A	-1.8095
45	E	A	-2.4586
46	G	A	-1.9329
47	T	A	-1.4876
48	E	A	-1.7795
49	S	A	-1.7441
50	E	A	-1.6637
92	V	A	-1.0192
93	V	A	0.0000
94	H	A	-0.5283
95	L	A	0.0169
96	A	A	0.0000
97	L	A	0.0000
98	R	A	-1.5358
99	Q	A	-1.8513
100	A	A	0.0000
101	G	A	0.0000
102	D	A	-2.5609
103	D	A	-2.6645
104	F	A	-2.1142
105	S	A	-2.4306
106	R	A	-3.4798
107	R	A	-2.9931
108	Y	A	-1.6442
109	R	A	-3.2218
110	G	A	-2.5242
111	D	A	-2.4298
112	F	A	-1.3737
113	A	A	-1.6543
114	E	A	-2.7100
115	M	A	-1.7462
116	S	A	-1.3074
117	S	A	-1.4119
118	Q	A	-1.7665
119	L	A	-1.2255
120	H	A	-1.0969
121	L	A	-0.5645
122	T	A	-0.2006
123	P	A	0.3116
124	F	A	1.1740
125	T	A	-0.2569
126	A	A	0.0000
127	R	A	-1.8255
128	G	A	-1.4915
129	R	A	-2.0582
130	F	A	0.0000
131	A	A	-1.5911
132	T	A	-2.0291
133	V	A	0.0000
134	V	A	0.0000
135	E	A	-3.6699
136	E	A	-3.8795
137	L	A	0.0000
138	F	A	0.0000
139	R	A	-4.2629
140	D	A	-3.7064
141	G	A	-2.3025
142	V	A	-1.6991
143	N	A	-1.8849
144	W	A	0.0000
145	G	A	-0.8723
146	R	A	-1.7794
147	I	A	0.0000
148	V	A	0.0000
149	A	A	0.0000
150	F	A	0.0000
151	F	A	0.0000
152	E	A	0.0000
153	F	A	0.0000
154	G	A	0.0000
155	G	A	0.0000
156	V	A	-0.0353
157	M	A	0.0000
158	C	A	0.0000
159	V	A	-0.9098
160	E	A	-1.6230
161	S	A	0.0000
162	V	A	-1.6375
163	N	A	-2.7360
164	R	A	-3.3278
165	E	A	-3.0882
166	M	A	-1.7343
167	S	A	-1.2174
168	P	A	-0.7689
169	L	A	0.0000
170	V	A	0.0000
171	D	A	-1.2280
172	N	A	-0.9164
173	I	A	0.0000
174	A	A	0.0000
175	L	A	-0.2556
176	W	A	-0.4780
177	M	A	0.0000
178	T	A	0.0000
179	E	A	-2.2386
180	Y	A	-1.6114
181	L	A	0.0000
182	N	A	-2.8971
183	R	A	-3.0666
184	H	A	-2.0231
185	L	A	0.0000
186	H	A	-2.1228
187	T	A	-1.5956
188	W	A	-1.5739
189	I	A	0.0000
190	Q	A	-2.5571
191	D	A	-2.6903
192	N	A	-2.3569
193	G	A	-2.2663
194	G	A	-1.8210
195	W	A	-1.2946
196	D	A	-2.3200
197	A	A	-1.5838
198	F	A	0.0000
199	V	A	-0.8214
200	E	A	-1.4616
201	L	A	0.4346
202	Y	A	0.3115
203	G	A	-0.5872
204	P	A	-0.3673
205	S	A	-0.5464
206	M	A	0.0292
207	R	A	-1.4004