Project name: 3976619e66368ad

Chain sequence(s)	A: MSDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFLDANLAGGSGEGGSGEGGSGEPQAGSKSQRAKYGTAGYGVEEAAAEKDTRISKKMETMGIYFAEAAAEYLDYVHAEKSREAAAEAGRQYHLAMAEAAAERWIGTVSDEDLEHHHHHH
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                                          (00:04:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:39)

• Minimal score value: -4.0029
• Maximal score value: 2.1148
• Average score: -1.2395
• Total score value: -272.6853

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	0.3708
2	S	A	-1.1687
3	D	A	-2.0826
4	K	A	-2.0581
5	I	A	0.0000
6	I	A	-0.3076
7	H	A	-0.9695
8	L	A	0.0000
9	T	A	-1.6643
10	D	A	-2.1941
11	D	A	-2.6228
12	S	A	-1.8112
13	F	A	0.0000
14	D	A	-2.3075
15	T	A	-1.7573
16	D	A	-1.7888
17	V	A	0.0000
18	L	A	-1.9218
19	K	A	-2.9517
20	A	A	-2.3524
21	D	A	-2.7404
22	G	A	-2.1948
23	A	A	0.0000
24	I	A	0.0000
25	L	A	0.0000
26	V	A	0.0000
27	D	A	0.0000
28	F	A	0.0000
29	W	A	-0.3768
30	A	A	0.0000
31	E	A	-1.2793
32	W	A	0.0173
33	C	A	0.0000
34	G	A	-0.7597
35	P	A	-0.4357
36	C	A	0.0000
37	K	A	-1.5530
38	M	A	-0.1871
39	I	A	0.0000
40	A	A	-0.4929
41	P	A	-0.6556
42	I	A	-0.9488
43	L	A	0.0000
44	D	A	-1.8979
45	E	A	-2.8753
46	I	A	0.0000
47	A	A	0.0000
48	D	A	-4.0029
49	E	A	-3.8150
50	Y	A	0.0000
51	Q	A	-3.1573
52	G	A	-2.3342
53	K	A	-2.5486
54	L	A	0.0000
55	T	A	-1.1985
56	V	A	0.0000
57	A	A	0.0000
58	K	A	0.0000
59	L	A	0.0000
60	N	A	0.0000
61	I	A	-1.2406
62	D	A	-2.3644
63	Q	A	-2.2206
64	N	A	-1.8226
65	P	A	-1.5129
66	G	A	-1.5264
67	T	A	0.0000
68	A	A	0.0000
69	P	A	-1.5012
70	K	A	-1.8640
71	Y	A	-0.8931
72	G	A	-1.4403
73	I	A	0.0000
74	R	A	-1.9316
75	G	A	-0.9446
76	I	A	0.0374
77	P	A	0.0000
78	T	A	0.0000
79	L	A	0.0000
80	L	A	0.0000
81	L	A	0.0000
82	F	A	0.0000
83	K	A	-1.8726
84	N	A	-2.6887
85	G	A	-2.3101
86	E	A	-1.9992
87	V	A	-0.1826
88	A	A	-0.3774
89	A	A	-0.1809
90	T	A	0.2376
91	K	A	0.1809
92	V	A	1.1395
93	G	A	0.5135
94	A	A	-0.0489
95	L	A	0.0000
96	S	A	-0.9385
97	K	A	-1.5851
98	G	A	-1.7176
99	Q	A	-2.3596
100	L	A	0.0000
101	K	A	-2.7060
102	E	A	-3.1090
103	F	A	-1.8818
104	L	A	0.0000
105	D	A	-2.4082
106	A	A	-1.3833
107	N	A	-1.1915
108	L	A	-1.0766
109	A	A	-0.7713
110	G	A	-1.0025
111	G	A	-1.2035
112	S	A	-1.3581
113	G	A	-1.8604
114	E	A	-2.5714
115	G	A	-1.8639
116	G	A	-1.8524
117	S	A	-1.6530
118	G	A	-1.8968
119	E	A	-2.5780
120	G	A	-1.8876
121	G	A	-1.8231
122	S	A	-1.6068
123	G	A	-1.9330
124	E	A	-2.6408
125	P	A	-1.9369
126	Q	A	-2.0794
127	A	A	-1.3813
128	G	A	-1.5057
129	S	A	-1.6495
130	K	A	-2.6340
131	S	A	-2.3461
132	Q	A	-2.8505
133	R	A	-2.9181
134	A	A	-1.7952
135	K	A	-1.9535
136	Y	A	-0.3848
137	G	A	-0.5392
138	T	A	-0.0853
139	A	A	0.2721
140	G	A	0.2284
141	Y	A	0.4501
142	G	A	-0.1800
143	V	A	0.4558
144	E	A	-1.9398
145	E	A	-2.6615
146	A	A	-1.8573
147	A	A	-2.3884
148	A	A	-2.6142
149	E	A	-3.5387
150	K	A	-3.8967
151	D	A	-3.4928
152	T	A	-2.7057
153	R	A	-3.4102
154	I	A	-1.2182
155	S	A	-2.0138
156	K	A	-3.1441
157	K	A	-2.0031
158	M	A	-0.4416
159	E	A	-1.5976
160	T	A	-0.2003
161	M	A	0.4707
162	G	A	0.5418
163	I	A	1.5429
164	Y	A	2.1148
165	F	A	2.0516
166	A	A	0.8606
167	E	A	-0.5162
168	A	A	0.2920
169	A	A	0.4710
170	A	A	-0.3909
171	E	A	-1.3473
172	Y	A	0.6687
173	L	A	0.4319
174	D	A	-1.3166
175	Y	A	0.1628
176	V	A	-0.5504
177	H	A	-2.1128
178	A	A	-1.8855
179	E	A	-3.0709
180	K	A	-3.7766
181	S	A	-2.9791
182	R	A	-3.9232
183	E	A	-3.9520
184	A	A	-2.5571
185	A	A	-2.1055
186	A	A	-2.2434
187	E	A	-2.5369
188	A	A	-1.4954
189	G	A	-1.4429
190	R	A	-2.2277
191	Q	A	-1.3572
192	Y	A	0.2448
193	H	A	-0.6640
194	L	A	0.3688
195	A	A	0.1685
196	M	A	0.5584
197	A	A	-0.2492
198	E	A	-1.8151
199	A	A	-1.2965
200	A	A	-0.7308
201	A	A	-0.9940
202	E	A	-2.1728
203	R	A	-1.7509
204	W	A	0.5889
205	I	A	1.2618
206	G	A	-0.4994
207	T	A	-0.6741
208	V	A	0.0363
209	S	A	-1.0643
210	D	A	-2.8964
211	E	A	-3.7566
212	D	A	-3.3336
213	L	A	-2.0017
214	E	A	-3.7787
215	H	A	-3.6664
216	H	A	-3.2132
217	H	A	-2.9115
218	H	A	-3.0037
219	H	A	-2.5637
220	H	A	-2.0426