Project name: 1e86976f866a4b5

Chain sequence(s)	A: MSHHHHHHSGMEWMKEKVENYEYKGENKEIHEKIREIMKEILRIHEELIPRLEKLSKESGVPFEEIADPVHGIFSSGFQIFMHAVHFESESFDKEEAIEAVEFTLEVMKELASKEYKSAEELIEEAVKLYKETDKKFEELWDKAEPEIKAKENS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:45)

• Minimal score value: -4.2897
• Maximal score value: 0.7783
• Average score: -1.7321
• Total score value: -266.7441

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	0.5304
2	S	A	-0.5575
3	H	A	-1.4405
4	H	A	-1.5917
5	H	A	-1.8998
6	H	A	-2.3671
7	H	A	-2.1587
8	H	A	-1.9541
9	S	A	-1.5812
10	G	A	-1.4193
11	M	A	0.0000
12	E	A	-2.6840
13	W	A	-1.3505
14	M	A	0.0000
15	K	A	-3.0647
16	E	A	-3.3593
17	K	A	-2.5830
18	V	A	0.0000
19	E	A	-3.7593
20	N	A	-3.1659
21	Y	A	-2.2478
22	E	A	-2.8360
23	Y	A	0.0000
24	K	A	-2.8367
25	G	A	-2.4388
26	E	A	-2.9043
27	N	A	-2.3925
28	K	A	-3.4335
29	E	A	-3.2081
30	I	A	-2.1103
31	H	A	0.0000
32	E	A	-2.6141
33	K	A	-2.8580
34	I	A	0.0000
35	R	A	0.0000
36	E	A	-2.9594
37	I	A	0.0000
38	M	A	0.0000
39	K	A	-2.3746
40	E	A	-2.0464
41	I	A	0.0000
42	L	A	0.0000
43	R	A	-3.0921
44	I	A	0.0000
45	H	A	0.0000
46	E	A	-3.4720
47	E	A	-3.1467
48	L	A	0.0000
49	I	A	0.0000
50	P	A	-1.6159
51	R	A	-2.0477
52	L	A	0.0000
53	E	A	-2.4080
54	K	A	-3.1744
55	L	A	-2.7282
56	S	A	-2.8924
57	K	A	-3.4626
58	E	A	-3.4618
59	S	A	-2.3516
60	G	A	-1.7096
61	V	A	-1.6667
62	P	A	-1.6489
63	F	A	0.0000
64	E	A	-3.1179
65	E	A	-3.0699
66	I	A	0.0000
67	A	A	0.0000
68	D	A	-2.7900
69	P	A	-1.6720
70	V	A	0.0000
71	H	A	-1.1851
72	G	A	-0.7879
73	I	A	0.0000
74	F	A	0.0000
75	S	A	-0.3625
76	S	A	-0.6527
77	G	A	0.0000
78	F	A	0.0000
79	Q	A	-0.6758
80	I	A	0.0000
81	F	A	0.0000
82	M	A	-0.2287
83	H	A	-0.1212
84	A	A	0.0000
85	V	A	0.7783
86	H	A	-0.3071
87	F	A	0.0000
88	E	A	-1.6265
89	S	A	0.0000
90	E	A	-2.5027
91	S	A	-2.1608
92	F	A	0.0000
93	D	A	-2.6639
94	K	A	-2.2706
95	E	A	-2.8479
96	E	A	-2.8760
97	A	A	0.0000
98	I	A	-2.1274
99	E	A	-2.9437
100	A	A	0.0000
101	V	A	0.0000
102	E	A	-2.1954
103	F	A	-1.7473
104	T	A	0.0000
105	L	A	-1.9245
106	E	A	-2.8277
107	V	A	0.0000
108	M	A	0.0000
109	K	A	-2.8721
110	E	A	-3.1439
111	L	A	0.0000
112	A	A	-2.1442
113	S	A	-1.9374
114	K	A	-2.4988
115	E	A	-2.7578
116	Y	A	-2.4566
117	K	A	-2.9109
118	S	A	-2.5572
119	A	A	0.0000
120	E	A	-3.3398
121	E	A	-3.4157
122	L	A	0.0000
123	I	A	-2.4267
124	E	A	-3.0024
125	E	A	-2.3551
126	A	A	0.0000
127	V	A	-1.4889
128	K	A	-2.7132
129	L	A	-2.0439
130	Y	A	-1.7400
131	K	A	-3.3722
132	E	A	-3.5106
133	T	A	0.0000
134	D	A	-3.3890
135	K	A	-4.2897
136	K	A	-3.6918
137	F	A	0.0000
138	E	A	-4.2437
139	E	A	-4.2895
140	L	A	0.0000
141	W	A	-2.9859
142	D	A	-3.8155
143	K	A	-3.4746
144	A	A	0.0000
145	E	A	-2.7008
146	P	A	-2.1585
147	E	A	-2.6640
148	I	A	-2.5914
149	K	A	-3.4436
150	A	A	-2.7030
151	K	A	-3.3323
152	E	A	-3.6859
153	N	A	-3.0999
154	S	A	-2.0454