Project name: 294a5dba2fff2bd

Chain sequence(s)	A: MSHHHHHHSGMPAAAVVVNVVDVMKKNGMNYNEGLAMYKQASEQMYDTLRTSRDPDEISESIMMHAVSLVFLMEIATPENLQEFVQWVRGDGKWLHYVPDQMFWDRPTDAWWEMDPAARKAFRIIYNIMDYIDKTDPKDLEEIGAFLKETTAKLVALIEQWAANNPEQFEKMMAKMEKIAKQVKEGLQKTNS
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                                          (00:05:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:57)

• Minimal score value: -4.0342
• Maximal score value: 1.0277
• Average score: -1.3255
• Total score value: -254.503

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	0.5612
2	S	A	-0.6099
3	H	A	-1.7272
4	H	A	-2.3313
5	H	A	-2.7133
6	H	A	-2.7313
7	H	A	-2.5391
8	H	A	-2.0936
9	S	A	-1.2949
10	G	A	-0.8730
11	M	A	-0.0700
12	P	A	-0.1849
13	A	A	-0.2914
14	A	A	0.2175
15	A	A	0.1727
16	V	A	0.0000
17	V	A	0.0000
18	V	A	1.0277
19	N	A	-0.8946
20	V	A	0.0000
21	V	A	0.0000
22	D	A	-1.7720
23	V	A	-1.5156
24	M	A	0.0000
25	K	A	-3.1665
26	K	A	-2.9253
27	N	A	-2.4300
28	G	A	-2.1104
29	M	A	0.0000
30	N	A	-1.8920
31	Y	A	-1.1602
32	N	A	-1.4238
33	E	A	0.0000
34	G	A	0.0000
35	L	A	0.0000
36	A	A	-0.6910
37	M	A	0.0000
38	Y	A	0.0000
39	K	A	-1.7267
40	Q	A	-1.8466
41	A	A	0.0000
42	S	A	0.0000
43	E	A	-3.0029
44	Q	A	-2.4586
45	M	A	0.0000
46	Y	A	-1.9721
47	D	A	-2.9641
48	T	A	0.0000
49	L	A	0.0000
50	R	A	-3.0236
51	T	A	-1.8799
52	S	A	0.0000
53	R	A	-3.6981
54	D	A	-3.7220
55	P	A	-3.0667
56	D	A	-3.5532
57	E	A	-3.1571
58	I	A	0.0000
59	S	A	0.0000
60	E	A	-1.4174
61	S	A	0.0000
62	I	A	0.0000
63	M	A	0.0000
64	M	A	0.0000
65	H	A	0.0000
66	A	A	0.0000
67	V	A	0.0000
68	S	A	0.0000
69	L	A	0.0000
70	V	A	0.0000
71	F	A	0.0000
72	L	A	0.0000
73	M	A	0.0000
74	E	A	-2.0151
75	I	A	-0.8647
76	A	A	-1.2247
77	T	A	-1.1728
78	P	A	-1.7392
79	E	A	-2.6206
80	N	A	-2.0874
81	L	A	-1.7645
82	Q	A	-2.8322
83	E	A	-3.0348
84	F	A	0.0000
85	V	A	0.0000
86	Q	A	-2.6767
87	W	A	-2.0718
88	V	A	0.0000
89	R	A	-2.5540
90	G	A	-2.1139
91	D	A	-2.5703
92	G	A	0.0000
93	K	A	-2.4231
94	W	A	-0.8539
95	L	A	0.0000
96	H	A	-0.3986
97	Y	A	0.5676
98	V	A	0.0000
99	P	A	0.1233
100	D	A	0.1559
101	Q	A	-0.3943
102	M	A	0.0000
103	F	A	0.9496
104	W	A	0.3506
105	D	A	-2.0189
106	R	A	-2.1902
107	P	A	-1.3729
108	T	A	-2.2179
109	D	A	-2.5718
110	A	A	0.0000
111	W	A	-1.3263
112	W	A	-0.3913
113	E	A	-2.4180
114	M	A	0.0000
115	D	A	-1.5473
116	P	A	-1.1182
117	A	A	0.0000
118	A	A	0.0000
119	R	A	-1.7776
120	K	A	-2.5696
121	A	A	0.0000
122	F	A	0.0000
123	R	A	-2.4072
124	I	A	0.0000
125	I	A	0.0000
126	Y	A	-0.5648
127	N	A	-0.8748
128	I	A	0.0000
129	M	A	0.0000
130	D	A	-1.0761
131	Y	A	-0.8563
132	I	A	0.0000
133	D	A	-2.4657
134	K	A	-2.3879
135	T	A	-2.4074
136	D	A	-2.9459
137	P	A	-3.2305
138	K	A	-3.4604
139	D	A	-4.0342
140	L	A	-3.1436
141	E	A	-3.3711
142	E	A	-3.6005
143	I	A	0.0000
144	G	A	-2.1313
145	A	A	-1.9254
146	F	A	-1.4313
147	L	A	0.0000
148	K	A	-3.1367
149	E	A	-2.8791
150	T	A	-1.8974
151	T	A	0.0000
152	A	A	-1.6179
153	K	A	-2.3334
154	L	A	0.0000
155	V	A	-0.0516
156	A	A	-0.5750
157	L	A	-0.8531
158	I	A	0.0000
159	E	A	-0.7015
160	Q	A	-1.2819
161	W	A	0.0000
162	A	A	0.0000
163	A	A	-1.2965
164	N	A	-1.9706
165	N	A	-2.1828
166	P	A	-2.3420
167	E	A	-3.2159
168	Q	A	-2.9540
169	F	A	0.0000
170	E	A	-3.4338
171	K	A	-3.2916
172	M	A	0.0000
173	M	A	-2.0831
174	A	A	-2.1104
175	K	A	-2.3099
176	M	A	0.0000
177	E	A	-2.4655
178	K	A	-3.1190
179	I	A	-2.2523
180	A	A	0.0000
181	K	A	-3.6664
182	Q	A	-3.2994
183	V	A	-2.5115
184	K	A	-3.1524
185	E	A	-3.7238
186	G	A	-2.7533
187	L	A	-2.2924
188	Q	A	-3.3043
189	K	A	-3.2789
190	T	A	-2.1249
191	N	A	-2.2978
192	S	A	-1.6917