Project name: dfc2f529cf98b77

Chain sequence(s)	A: MDKDCEMKRTTLDSPLGKLELSGCEQGLHRIIFLGKGTSAADAVEVPAPAAVLGGPEPLIQATAWLNAYFHKPEAIEEFPVPALHHPVFQQESFTRQVLWKLLKVVKFGEVISESHLAALVGNPAATAAVNTALDGNPVPILIPCHRVVQGDSDVGPYLGGLAVKEWLLAHEGHRLGKPGLG
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:41)

• Minimal score value: -3.2557
• Maximal score value: 1.5414
• Average score: -0.7887
• Total score value: -143.5395

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	-0.6511
2	D	A	-2.5851
3	K	A	-3.2278
4	D	A	-3.2557
5	C	A	-2.8682
6	E	A	-2.9741
7	M	A	-2.0821
8	K	A	-2.4363
9	R	A	-2.6004
10	T	A	-1.0390
11	T	A	-1.0395
12	L	A	0.0000
13	D	A	-1.8954
14	S	A	0.0000
15	P	A	-0.7508
16	L	A	0.0000
17	G	A	-1.4250
18	K	A	-2.0986
19	L	A	0.0000
20	E	A	-1.3075
21	L	A	0.0000
22	S	A	0.0000
23	G	A	0.0000
24	C	A	0.0000
25	E	A	-3.2448
26	Q	A	-2.4933
27	G	A	0.0000
28	L	A	0.0000
29	H	A	0.0000
30	R	A	-1.9272
31	I	A	0.0000
32	I	A	-0.0676
33	F	A	-0.1004
34	L	A	-0.4056
35	G	A	-1.2149
36	K	A	-2.0470
37	G	A	-1.0621
38	T	A	-1.3112
39	S	A	-0.9159
40	A	A	-0.4445
41	A	A	-0.6131
42	D	A	-1.4884
43	A	A	-0.4056
44	V	A	0.4566
45	E	A	-1.1734
46	V	A	-0.5206
47	P	A	-0.4848
48	A	A	-0.5047
49	P	A	-0.2827
50	A	A	0.2791
51	A	A	0.7857
52	V	A	0.7782
53	L	A	1.5414
54	G	A	-0.1360
55	G	A	-1.1475
56	P	A	-2.3825
57	E	A	-2.3751
58	P	A	-1.2712
59	L	A	0.0000
60	I	A	0.1065
61	Q	A	-0.1301
62	A	A	0.0000
63	T	A	0.0000
64	A	A	0.2050
65	W	A	0.0000
66	L	A	0.0000
67	N	A	-0.9974
68	A	A	0.0000
69	Y	A	0.0000
70	F	A	0.0000
71	H	A	-1.5444
72	K	A	-2.5403
73	P	A	-2.3561
74	E	A	-2.9387
75	A	A	-2.4455
76	I	A	0.0000
77	E	A	-2.8146
78	E	A	-2.5103
79	F	A	-0.5721
80	P	A	-0.1007
81	V	A	0.8659
82	P	A	0.0000
83	A	A	-0.4136
84	L	A	-0.3563
85	H	A	-1.1797
86	H	A	-1.1379
87	P	A	-1.1331
88	V	A	-1.0747
89	F	A	0.0000
90	Q	A	-2.3258
91	Q	A	-2.7881
92	E	A	-2.7580
93	S	A	-1.3974
94	F	A	-0.3805
95	T	A	-0.8285
96	R	A	-1.3161
97	Q	A	-0.9575
98	V	A	0.0000
99	L	A	0.0000
100	W	A	-0.3238
101	K	A	-0.5407
102	L	A	0.0000
103	L	A	-0.4974
104	K	A	-1.4070
105	V	A	-0.2658
106	V	A	0.0000
107	K	A	-1.6744
108	F	A	-1.0927
109	G	A	-0.9223
110	E	A	-1.1815
111	V	A	0.1440
112	I	A	0.0000
113	S	A	-0.9700
114	E	A	-0.8604
115	S	A	-1.0823
116	H	A	-1.1008
117	L	A	0.0000
118	A	A	0.0000
119	A	A	-0.7459
120	L	A	-0.1489
121	V	A	-0.3908
122	G	A	-0.9401
123	N	A	-1.4135
124	P	A	-1.0309
125	A	A	-0.5951
126	A	A	-0.5495
127	T	A	-0.7291
128	A	A	-0.2585
129	A	A	-0.4679
130	V	A	0.0000
131	N	A	-1.4868
132	T	A	-1.1537
133	A	A	0.0000
134	L	A	0.0000
135	D	A	-2.0485
136	G	A	-1.3292
137	N	A	0.0000
138	P	A	0.0000
139	V	A	0.0000
140	P	A	0.0000
141	I	A	0.0000
142	L	A	0.0000
143	I	A	0.0000
144	P	A	0.0000
145	C	A	0.0000
146	H	A	0.0000
147	R	A	0.0000
148	V	A	0.0000
149	V	A	-0.8794
150	Q	A	-1.9173
151	G	A	-2.0758
152	D	A	-2.4715
153	S	A	-1.8779
154	D	A	-1.9374
155	V	A	-0.8911
156	G	A	-0.7581
157	P	A	-0.3985
158	Y	A	0.0000
159	L	A	0.4380
160	G	A	0.2573
161	G	A	0.0200
162	L	A	0.6520
163	A	A	-0.1678
164	V	A	0.0000
165	K	A	0.0000
166	E	A	-0.7151
167	W	A	-0.4099
168	L	A	0.0000
169	L	A	0.0000
170	A	A	-0.9432
171	H	A	-0.6663
172	E	A	0.0000
173	G	A	-1.1813
174	H	A	-1.4959
175	R	A	-2.3634
176	L	A	-1.6528
177	G	A	-1.8801
178	K	A	-2.0513
179	P	A	-1.0897
180	G	A	-0.6008
181	L	A	0.7030
182	G	A	0.1140