Project name: ae52e7d9a85f9a6

Chain sequence(s)	A: IPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNQYSEQELLDCDRRSYGCNGGYPWSALQLVAQYGIHYRNTYPYEGVQRYCRSREKGPYAAKTDGVRQVQPYNQGALLYSIANQPVSVVLQAAGKDFQLYRGGIFVGPCGNKVDHAVAAVGYGPNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN
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                                          (00:02:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:46)

• Minimal score value: -3.5553
• Maximal score value: 1.7639
• Average score: -0.665
• Total score value: -140.9841

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	I	A	1.7639
2	P	A	0.1962
3	E	A	-0.9740
4	Y	A	0.3546
5	V	A	0.0000
6	D	A	-1.5009
7	W	A	-1.6897
8	R	A	-2.4341
9	Q	A	-2.7295
10	K	A	-2.8056
11	G	A	-1.7810
12	A	A	0.0000
13	V	A	-0.7556
14	T	A	0.0000
15	P	A	-0.3412
16	V	A	-0.4298
17	K	A	-0.8386
18	N	A	-1.5556
19	Q	A	-1.1818
20	G	A	-1.2136
21	S	A	-0.7011
22	C	A	0.0000
23	G	A	-0.7607
24	S	A	0.0000
25	C	A	-0.4266
26	W	A	0.0000
27	A	A	0.0000
28	F	A	0.0000
29	S	A	0.0000
30	A	A	0.0000
31	V	A	0.0000
32	V	A	0.0000
33	T	A	0.0000
34	I	A	0.0000
35	E	A	0.0000
36	G	A	0.0000
37	I	A	0.0000
38	I	A	0.0000
39	K	A	-1.3189
40	I	A	-1.2504
41	R	A	-2.3439
42	T	A	-1.6491
43	G	A	-1.5571
44	N	A	-1.6104
45	L	A	-0.3381
46	N	A	-0.4677
47	Q	A	-0.6844
48	Y	A	0.0000
49	S	A	0.0000
50	E	A	0.0000
51	Q	A	0.0000
52	E	A	0.0000
53	L	A	0.0000
54	L	A	0.0000
55	D	A	0.0000
56	C	A	0.0000
57	D	A	0.0000
58	R	A	-2.3653
59	R	A	-2.3826
60	S	A	0.0000
61	Y	A	-0.1254
62	G	A	0.0000
63	C	A	-0.7180
64	N	A	-1.0748
65	G	A	-0.6097
66	G	A	-0.4132
67	Y	A	0.3646
68	P	A	0.0000
69	W	A	0.1541
70	S	A	0.0000
71	A	A	0.0000
72	L	A	0.0000
73	Q	A	-0.9156
74	L	A	-0.4712
75	V	A	0.0000
76	A	A	-1.3263
77	Q	A	-1.2363
78	Y	A	0.0025
79	G	A	0.0000
80	I	A	0.0000
81	H	A	0.0000
82	Y	A	-0.1507
83	R	A	-0.9344
84	N	A	-1.4023
85	T	A	-0.8552
86	Y	A	0.0000
87	P	A	-1.1745
88	Y	A	-1.3497
89	E	A	-2.0502
90	G	A	-1.3920
91	V	A	-1.0132
92	Q	A	-1.6612
93	R	A	-1.7680
94	Y	A	-0.0984
95	C	A	-1.1602
96	R	A	-2.3333
97	S	A	0.0000
98	R	A	-3.1725
99	E	A	-3.5553
100	K	A	-2.7298
101	G	A	-1.9111
102	P	A	-0.8359
103	Y	A	0.0265
104	A	A	0.0896
105	A	A	0.0000
106	K	A	-1.3859
107	T	A	0.0000
108	D	A	-2.4609
109	G	A	-1.7275
110	V	A	-1.2316
111	R	A	-2.2106
112	Q	A	-2.0754
113	V	A	-1.3048
114	Q	A	-1.7290
115	P	A	-0.6586
116	Y	A	-0.0815
117	N	A	-1.0772
118	Q	A	-0.7717
119	G	A	-0.3733
120	A	A	-0.1850
121	L	A	0.0000
122	L	A	0.0000
123	Y	A	1.3194
124	S	A	0.0000
125	I	A	0.0000
126	A	A	0.3051
127	N	A	-0.6805
128	Q	A	-0.4355
129	P	A	0.0000
130	V	A	0.0000
131	S	A	0.0000
132	V	A	0.0000
133	V	A	0.0000
134	L	A	0.0000
135	Q	A	-1.2136
136	A	A	0.0000
137	A	A	-1.1645
138	G	A	-1.6954
139	K	A	-2.3293
140	D	A	-1.9384
141	F	A	0.0000
142	Q	A	-1.5828
143	L	A	-0.4953
144	Y	A	0.0000
145	R	A	-2.7747
146	G	A	-2.0242
147	G	A	-0.6496
148	I	A	0.7615
149	F	A	0.0000
150	V	A	1.5370
151	G	A	0.3291
152	P	A	-0.1928
153	C	A	-0.6154
154	G	A	-1.0378
155	N	A	-1.9345
156	K	A	-2.3920
157	V	A	-1.2996
158	D	A	-1.5135
159	H	A	0.0000
160	A	A	0.0000
161	V	A	0.0000
162	A	A	0.0000
163	A	A	0.0000
164	V	A	0.0000
165	G	A	0.0000
166	Y	A	0.0000
167	G	A	0.0000
168	P	A	-1.0779
169	N	A	-1.4896
170	Y	A	-0.6879
171	I	A	0.0000
172	L	A	0.0000
173	I	A	0.0000
174	K	A	0.0000
175	N	A	0.0000
176	S	A	0.0000
177	W	A	-0.8469
178	G	A	-1.0664
179	T	A	-1.6284
180	G	A	-1.6262
181	W	A	0.0000
182	G	A	-2.3301
183	E	A	-3.3638
184	N	A	-2.6290
185	G	A	0.0000
186	Y	A	0.0000
187	I	A	0.0000
188	R	A	-0.7453
189	I	A	0.0000
190	K	A	-0.6700
191	R	A	-1.1669
192	G	A	-1.4124
193	T	A	-0.9516
194	G	A	-1.0682
195	N	A	-1.1163
196	S	A	-0.5228
197	Y	A	0.1381
198	G	A	0.0000
199	V	A	-0.0310
200	C	A	0.0000
201	G	A	0.0000
202	L	A	0.0000
203	Y	A	0.0000
204	T	A	-0.2051
205	S	A	-0.1341
206	S	A	0.0000
207	F	A	-0.7032
208	Y	A	0.0000
209	P	A	0.0000
210	V	A	-1.1765
211	K	A	-1.8173
212	N	A	-2.0913