Project name: 67375db0bf98a0f

Chain sequence(s)	A: MSHHHHHHSGMKLSPAELTLLLLERLRGTAEEFQALADTLNSQLGPVPLGELPPGQEYTLHQWGDHEAFVQWLLDVYGSREVYREMTRALDSYNYINYLLENLKEDVEAWLKGEPSKAEFPPEDAIQLIWYQLKHKFGKIPESFKELKKMIESGEYLESEEKAKEFLEIIEKLKEELKEIVREYLEKVSKNS
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                                          (00:06:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:27)

• Minimal score value: -4.3447
• Maximal score value: 0.5513
• Average score: -1.5797
• Total score value: -303.2961

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	0.5513
2	S	A	-0.6179
3	H	A	-1.7465
4	H	A	-2.3307
5	H	A	-2.7733
6	H	A	-2.7297
7	H	A	-2.5775
8	H	A	-2.0794
9	S	A	-1.4763
10	G	A	-1.2457
11	M	A	-0.7647
12	K	A	-1.8384
13	L	A	-1.0517
14	S	A	-1.1369
15	P	A	-1.0051
16	A	A	0.0000
17	E	A	-1.8251
18	L	A	0.0000
19	T	A	0.0000
20	L	A	-1.2877
21	L	A	-0.6340
22	L	A	0.0000
23	L	A	0.0000
24	E	A	-2.1330
25	R	A	-1.6381
26	L	A	0.0000
27	R	A	-1.8140
28	G	A	0.0000
29	T	A	-2.3984
30	A	A	-2.4627
31	E	A	-2.9118
32	E	A	-2.3255
33	F	A	0.0000
34	Q	A	-2.3705
35	A	A	-1.8497
36	L	A	0.0000
37	A	A	0.0000
38	D	A	-2.3581
39	T	A	-1.3088
40	L	A	0.0000
41	N	A	-1.4690
42	S	A	-1.4050
43	Q	A	-1.4282
44	L	A	-0.9172
45	G	A	-0.7364
46	P	A	-0.7584
47	V	A	0.0000
48	P	A	-0.8831
49	L	A	-0.9586
50	G	A	-1.7851
51	E	A	-2.1165
52	L	A	-1.7935
53	P	A	-1.4522
54	P	A	-1.6717
55	G	A	-1.6977
56	Q	A	-2.3326
57	E	A	-3.0010
58	Y	A	0.0000
59	T	A	-1.4602
60	L	A	0.0000
61	H	A	-1.8628
62	Q	A	-2.2011
63	W	A	0.0000
64	G	A	-2.1220
65	D	A	-3.3326
66	H	A	-3.1355
67	E	A	-3.0054
68	A	A	-1.9464
69	F	A	0.0000
70	V	A	-1.5417
71	Q	A	-1.9828
72	W	A	0.0000
73	L	A	0.0000
74	L	A	-1.7275
75	D	A	-2.2060
76	V	A	0.0000
77	Y	A	0.0000
78	G	A	-1.6258
79	S	A	-2.1678
80	R	A	-3.3739
81	E	A	-3.3435
82	V	A	0.0000
83	Y	A	-2.4859
84	R	A	-3.1322
85	E	A	-2.7648
86	M	A	0.0000
87	T	A	-1.7863
88	R	A	-2.8407
89	A	A	0.0000
90	L	A	0.0000
91	D	A	-1.7652
92	S	A	0.0000
93	Y	A	0.0000
94	N	A	-0.4469
95	Y	A	0.3182
96	I	A	0.0000
97	N	A	0.0000
98	Y	A	0.3645
99	L	A	0.0000
100	L	A	0.0000
101	E	A	-1.2312
102	N	A	-1.6277
103	L	A	0.0000
104	K	A	-2.0933
105	E	A	-2.3932
106	D	A	-2.0162
107	V	A	0.0000
108	E	A	-2.3814
109	A	A	0.0000
110	W	A	-1.3717
111	L	A	-1.9584
112	K	A	-2.6483
113	G	A	-2.0471
114	E	A	-2.8705
115	P	A	-2.0326
116	S	A	-2.4314
117	K	A	-2.8671
118	A	A	-2.2570
119	E	A	-2.2943
120	F	A	-1.4757
121	P	A	-1.3548
122	P	A	0.0000
123	E	A	-3.0403
124	D	A	-2.2517
125	A	A	0.0000
126	I	A	0.0000
127	Q	A	-1.4671
128	L	A	-0.1493
129	I	A	0.0000
130	W	A	-0.2020
131	Y	A	0.4477
132	Q	A	-0.4114
133	L	A	0.0000
134	K	A	-1.4932
135	H	A	-1.5436
136	K	A	-1.6230
137	F	A	-1.1499
138	G	A	-1.4764
139	K	A	-1.6699
140	I	A	-0.9283
141	P	A	0.0000
142	E	A	-2.7621
143	S	A	-2.6853
144	F	A	0.0000
145	K	A	-2.5712
146	E	A	-2.6458
147	L	A	0.0000
148	K	A	-3.0586
149	K	A	-3.3460
150	M	A	-2.6862
151	I	A	0.0000
152	E	A	-3.1677
153	S	A	-2.1339
154	G	A	-1.9095
155	E	A	-2.3180
156	Y	A	0.0000
157	L	A	-1.6440
158	E	A	-2.8228
159	S	A	-3.0375
160	E	A	-3.9355
161	E	A	-4.2504
162	K	A	-4.0656
163	A	A	0.0000
164	K	A	-4.3447
165	E	A	-4.1338
166	F	A	0.0000
167	L	A	-3.2003
168	E	A	-3.9128
169	I	A	-3.1276
170	I	A	0.0000
171	E	A	-3.9995
172	K	A	-4.1202
173	L	A	0.0000
174	K	A	-3.4411
175	E	A	-4.2048
176	E	A	-3.8744
177	L	A	0.0000
178	K	A	-3.6893
179	E	A	-4.0182
180	I	A	0.0000
181	V	A	0.0000
182	R	A	-3.7974
183	E	A	-3.7810
184	Y	A	-2.6462
185	L	A	0.0000
186	E	A	-3.8378
187	K	A	-3.4754
188	V	A	0.0000
189	S	A	-2.4758
190	K	A	-3.2235
191	N	A	-2.7320
192	S	A	-1.7895