Project name: e87a433e6c5dca7

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                                          (00:06:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:07)

• Minimal score value: -4.0892
• Maximal score value: 0.9955
• Average score: -1.2952
• Total score value: -248.6863

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	0.5615
2	S	A	-0.6104
3	H	A	-1.7277
4	H	A	-2.3316
5	H	A	-2.7135
6	H	A	-2.7320
7	H	A	-2.5388
8	H	A	-2.0892
9	S	A	-1.2877
10	G	A	-0.8578
11	M	A	-0.1622
12	P	A	-0.1712
13	A	A	-0.3036
14	A	A	0.2236
15	A	A	0.1693
16	V	A	0.0000
17	V	A	0.0000
18	V	A	0.9955
19	N	A	-0.8904
20	V	A	0.0000
21	V	A	0.0000
22	D	A	-1.8915
23	V	A	-1.5720
24	M	A	0.0000
25	K	A	-3.2209
26	K	A	-2.9622
27	N	A	-2.3865
28	G	A	-2.1177
29	M	A	0.0000
30	N	A	-1.8847
31	Y	A	-1.1605
32	N	A	-1.4262
33	E	A	0.0000
34	G	A	0.0000
35	L	A	0.0000
36	A	A	-0.7046
37	M	A	0.0000
38	Y	A	0.0000
39	K	A	-1.6295
40	Q	A	-1.7778
41	A	A	0.0000
42	S	A	0.0000
43	E	A	-2.6036
44	Q	A	-2.4188
45	M	A	0.0000
46	Y	A	-1.8732
47	D	A	-2.9254
48	T	A	0.0000
49	L	A	0.0000
50	R	A	-3.3058
51	T	A	-2.0029
52	S	A	0.0000
53	R	A	-3.7628
54	D	A	-3.7538
55	P	A	-3.0900
56	D	A	-3.5138
57	E	A	-3.1082
58	I	A	0.0000
59	S	A	0.0000
60	E	A	0.0000
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	-2.0180
75	I	A	-0.8675
76	A	A	-1.2256
77	T	A	-1.1723
78	P	A	-1.7387
79	E	A	-2.6150
80	N	A	-2.0845
81	L	A	-1.7601
82	Q	A	-2.8214
83	E	A	-2.9805
84	F	A	0.0000
85	V	A	0.0000
86	Q	A	-2.6764
87	W	A	-2.0752
88	V	A	0.0000
89	R	A	-2.3904
90	G	A	-2.1209
91	D	A	-2.5762
92	G	A	0.0000
93	K	A	-2.4480
94	W	A	-0.8506
95	L	A	0.0000
96	H	A	-0.5340
97	Y	A	0.5515
98	V	A	0.0000
99	P	A	0.1924
100	D	A	0.1491
101	Q	A	-0.4337
102	M	A	-0.4528
103	F	A	0.8824
104	W	A	0.3227
105	D	A	-2.0627
106	R	A	-2.2681
107	P	A	-1.4613
108	T	A	-2.3002
109	D	A	-2.6202
110	A	A	0.0000
111	W	A	0.0000
112	W	A	-0.4364
113	E	A	-2.4432
114	M	A	0.0000
115	D	A	-1.5607
116	P	A	-1.1691
117	A	A	0.0000
118	A	A	0.0000
119	R	A	-1.6648
120	K	A	-2.5339
121	A	A	0.0000
122	F	A	0.0000
123	R	A	-2.1073
124	I	A	-1.5326
125	I	A	0.0000
126	Y	A	-0.6637
127	N	A	-1.4632
128	I	A	0.0000
129	M	A	0.0000
130	D	A	-1.3240
131	Y	A	-1.0688
132	I	A	0.0000
133	D	A	-2.5602
134	K	A	-2.4016
135	T	A	-2.4549
136	D	A	-3.0626
137	P	A	-3.2848
138	K	A	-3.5044
139	D	A	-4.0892
140	L	A	-3.1763
141	E	A	-3.3880
142	E	A	-3.6352
143	I	A	0.0000
144	G	A	-2.1599
145	A	A	-1.9546
146	F	A	-1.4613
147	L	A	0.0000
148	K	A	-3.1411
149	E	A	-2.8714
150	T	A	0.0000
151	T	A	0.0000
152	A	A	-1.6046
153	K	A	-2.2984
154	L	A	0.0000
155	V	A	-0.0895
156	A	A	-0.6495
157	L	A	0.0000
158	I	A	0.0000
159	E	A	-0.7666
160	Q	A	-1.3659
161	W	A	0.0000
162	A	A	0.0000
163	A	A	-1.3059
164	N	A	-1.9580
165	N	A	-2.1471
166	P	A	-2.2994
167	E	A	-3.1566
168	Q	A	0.0000
169	F	A	0.0000
170	E	A	-3.3938
171	K	A	-3.2243
172	M	A	0.0000
173	M	A	-2.0099
174	A	A	-2.0508
175	K	A	-2.2697
176	M	A	0.0000
177	E	A	-2.2794
178	K	A	-2.9961
179	I	A	-2.1794
180	A	A	0.0000
181	K	A	-3.4367
182	Q	A	-3.1912
183	V	A	-2.4480
184	K	A	-3.0741
185	E	A	-3.6670
186	G	A	-2.7162
187	L	A	-2.2891
188	Q	A	-3.3009
189	K	A	-3.2752
190	T	A	-2.1244
191	N	A	-2.2972
192	S	A	-1.6934