Project name: 1cf3aa96beb848

Chain sequence(s)	A: MSHHHHHHSGMKTPYEKLKEVLEKNPELQEKFYEILMMDIDSRLEDWKEMYPNGDEKQKEQLKKLEEAKKLFPEIWEKVGHDAVKFLELLLKVIENNGKAPEGLSPEEQEIADKIAEFLKNMFPEPFFWTVEEFKLVWSNWLEFHLEEDFGIDFSKYNS
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                                          (00:04:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:58)

• Minimal score value: -5.0544
• Maximal score value: 1.5125
• Average score: -1.5911
• Total score value: -252.9868

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	0.5443
2	S	A	-0.6371
3	H	A	-1.7523
4	H	A	-2.3575
5	H	A	-2.7772
6	H	A	-2.7661
7	H	A	-2.5458
8	H	A	-2.0678
9	S	A	-1.1556
10	G	A	-0.7765
11	M	A	-0.2506
12	K	A	-0.9826
13	T	A	-0.8408
14	P	A	-0.6887
15	Y	A	0.0000
16	E	A	-1.6985
17	K	A	0.0000
18	L	A	0.0000
19	K	A	-2.0018
20	E	A	-2.0721
21	V	A	0.0000
22	L	A	0.0000
23	E	A	-3.3370
24	K	A	-3.1184
25	N	A	-2.2948
26	P	A	-2.5758
27	E	A	-2.8824
28	L	A	0.0000
29	Q	A	-2.4302
30	E	A	-2.6846
31	K	A	-2.1786
32	F	A	0.0000
33	Y	A	-1.1707
34	E	A	-1.6131
35	I	A	0.0000
36	L	A	0.0000
37	M	A	-0.9247
38	M	A	-0.6387
39	D	A	-1.5825
40	I	A	0.0000
41	D	A	-2.1467
42	S	A	-2.4976
43	R	A	-3.3842
44	L	A	0.0000
45	E	A	-4.0525
46	D	A	-3.8354
47	W	A	-2.7750
48	K	A	-3.5195
49	E	A	-3.3526
50	M	A	-1.3523
51	Y	A	-1.7025
52	P	A	-2.0363
53	N	A	-2.4495
54	G	A	-3.1115
55	D	A	-3.9862
56	E	A	-4.6892
57	K	A	-4.5626
58	Q	A	-4.0242
59	K	A	-5.0544
60	E	A	-4.8553
61	Q	A	-3.3828
62	L	A	-3.4633
63	K	A	-3.9206
64	K	A	-3.3618
65	L	A	0.0000
66	E	A	-3.3203
67	E	A	-3.4543
68	A	A	0.0000
69	K	A	-2.7017
70	K	A	-3.0651
71	L	A	-2.2717
72	F	A	0.0000
73	P	A	-2.1079
74	E	A	-3.1848
75	I	A	0.0000
76	W	A	0.0000
77	E	A	-3.5256
78	K	A	-3.6369
79	V	A	0.0000
80	G	A	-2.2446
81	H	A	-2.4659
82	D	A	-2.3771
83	A	A	0.0000
84	V	A	-1.3063
85	K	A	-1.7105
86	F	A	0.0000
87	L	A	0.0000
88	E	A	-1.5026
89	L	A	0.0000
90	L	A	0.0000
91	L	A	0.0000
92	K	A	-2.5127
93	V	A	0.0000
94	I	A	0.0000
95	E	A	-3.2207
96	N	A	-3.1017
97	N	A	-2.4399
98	G	A	-2.7099
99	K	A	-3.6767
100	A	A	-3.1360
101	P	A	0.0000
102	E	A	-2.4128
103	G	A	-1.3825
104	L	A	-1.4102
105	S	A	-1.4256
106	P	A	-1.7557
107	E	A	-2.8692
108	E	A	-2.4726
109	Q	A	-2.7190
110	E	A	-3.1821
111	I	A	0.0000
112	A	A	0.0000
113	D	A	-3.2812
114	K	A	-2.8276
115	I	A	0.0000
116	A	A	0.0000
117	E	A	-2.9257
118	F	A	0.0000
119	L	A	0.0000
120	K	A	-2.4307
121	N	A	0.0000
122	M	A	-1.2244
123	F	A	-0.4443
124	P	A	-1.1414
125	E	A	-1.9089
126	P	A	-1.0583
127	F	A	-0.2411
128	F	A	1.5125
129	W	A	0.3946
130	T	A	-0.7414
131	V	A	-1.5159
132	E	A	-2.1674
133	E	A	-1.1125
134	F	A	0.0000
135	K	A	-0.9302
136	L	A	-0.0876
137	V	A	0.5368
138	W	A	0.2762
139	S	A	0.0000
140	N	A	-0.0177
141	W	A	0.4346
142	L	A	0.0000
143	E	A	-0.6663
144	F	A	0.0399
145	H	A	-1.1184
146	L	A	0.0000
147	E	A	-2.0369
148	E	A	-2.8338
149	D	A	-2.6667
150	F	A	-1.3667
151	G	A	-1.5520
152	I	A	-1.2453
153	D	A	-1.7764
154	F	A	0.0000
155	S	A	-1.6123
156	K	A	-2.2119
157	Y	A	-1.6027
158	N	A	-1.4138
159	S	A	-0.9451