Project name: b5f858fd42f8c20

Chain sequence(s)	A: MSDKIIHLTDDSFDTDVLKADGAILVDFWAEWCGPCKMIAPILDEIADEYQGKLTVAKLNIDQNPGTAPKYGIRGIPTLLLFKNGEVAATKVGALSKGQLKEFLDANLAGGGGSGGGGSGGGGSPQAGSKSQRAKYGTAGYGVEEAAAEKDTRISKKMETMGIYFAEAAAEYLDYVHAEKSREAAAEAGRQYHLAMAEAAAERWIGTVSDEDLEHHHHHH
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                                          (00:04:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:39)

• Minimal score value: -4.3409
• Maximal score value: 2.2958
• Average score: -1.2038
• Total score value: -264.8274

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	0.2808
2	S	A	-1.3689
3	D	A	-2.3773
4	K	A	-2.6657
5	I	A	0.0000
6	I	A	-0.5039
7	H	A	-1.0762
8	L	A	0.0000
9	T	A	-1.6388
10	D	A	-2.1521
11	D	A	-2.6079
12	S	A	-1.8319
13	F	A	0.0000
14	D	A	-2.3889
15	T	A	-1.8117
16	D	A	-1.8364
17	V	A	0.0000
18	L	A	-1.9530
19	K	A	-2.9856
20	A	A	-2.3824
21	D	A	-2.7539
22	G	A	-2.2493
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	-0.5524
30	A	A	0.0000
31	E	A	-1.8285
32	W	A	-0.2418
33	C	A	0.0000
34	G	A	-0.8334
35	P	A	-0.4169
36	C	A	0.0000
37	K	A	-1.5747
38	M	A	-0.0313
39	I	A	0.0000
40	A	A	-0.4268
41	P	A	-0.5892
42	I	A	-0.8836
43	L	A	0.0000
44	D	A	-1.9485
45	E	A	-2.8304
46	I	A	0.0000
47	A	A	0.0000
48	D	A	-4.0783
49	E	A	-3.7749
50	Y	A	0.0000
51	Q	A	-3.2423
52	G	A	-2.3366
53	K	A	-2.5853
54	L	A	0.0000
55	T	A	-1.3315
56	V	A	0.0000
57	A	A	0.0000
58	K	A	0.0000
59	L	A	0.0000
60	N	A	-1.3931
61	I	A	-1.3122
62	D	A	-2.4393
63	Q	A	-2.1885
64	N	A	0.0000
65	P	A	-1.4601
66	G	A	-1.4697
67	T	A	0.0000
68	A	A	0.0000
69	P	A	-1.4992
70	K	A	-1.8605
71	Y	A	-0.8701
72	G	A	-1.4379
73	I	A	0.0000
74	R	A	-1.9292
75	G	A	-0.9464
76	I	A	0.0174
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	-1.8827
84	N	A	-2.6665
85	G	A	-2.2923
86	E	A	-1.9186
87	V	A	-0.0026
88	A	A	-0.3067
89	A	A	-0.1143
90	T	A	0.3266
91	K	A	0.2767
92	V	A	1.1780
93	G	A	0.5182
94	A	A	-0.0540
95	L	A	0.0000
96	S	A	-0.8203
97	K	A	-1.6754
98	G	A	-1.7662
99	Q	A	-2.3927
100	L	A	0.0000
101	K	A	-2.6316
102	E	A	-3.0241
103	F	A	-1.8226
104	L	A	0.0000
105	D	A	-2.2476
106	A	A	-1.3331
107	N	A	-1.2064
108	L	A	0.0000
109	A	A	-0.8400
110	G	A	-1.1162
111	G	A	-1.1589
112	G	A	-1.1531
113	G	A	-1.1877
114	S	A	-1.0536
115	G	A	-1.1773
116	G	A	-1.2234
117	G	A	-1.1981
118	G	A	-1.2142
119	S	A	-1.0531
120	G	A	-1.2082
121	G	A	-1.2162
122	G	A	-1.1853
123	G	A	-1.2261
124	S	A	-1.0812
125	P	A	-1.1797
126	Q	A	-1.5695
127	A	A	-1.1659
128	G	A	-1.4251
129	S	A	-1.6407
130	K	A	-2.6171
131	S	A	-2.3469
132	Q	A	-2.8093
133	R	A	-2.8901
134	A	A	-1.7996
135	K	A	-1.8660
136	Y	A	-0.2928
137	G	A	-0.4872
138	T	A	-0.0219
139	A	A	0.3446
140	G	A	0.3748
141	Y	A	0.5036
142	G	A	-0.1612
143	V	A	0.4932
144	E	A	-1.9109
145	E	A	-2.6738
146	A	A	-1.8255
147	A	A	-2.3537
148	A	A	-2.6168
149	E	A	-3.5041
150	K	A	-3.8008
151	D	A	-3.6426
152	T	A	-2.8330
153	R	A	-3.4310
154	I	A	-1.7086
155	S	A	-2.2463
156	K	A	-3.1300
157	K	A	-2.3342
158	M	A	-0.5303
159	E	A	-1.4031
160	T	A	-0.1428
161	M	A	0.6477
162	G	A	0.7110
163	I	A	2.0017
164	Y	A	2.2958
165	F	A	2.1740
166	A	A	0.9781
167	E	A	-0.4240
168	A	A	0.3651
169	A	A	0.5168
170	A	A	-0.3589
171	E	A	-1.3132
172	Y	A	0.7133
173	L	A	0.4413
174	D	A	-1.3670
175	Y	A	0.0391
176	V	A	-0.6909
177	H	A	-2.2742
178	A	A	-2.1794
179	E	A	-3.6994
180	K	A	-4.0437
181	S	A	-3.1882
182	R	A	-4.2514
183	E	A	-4.3409
184	A	A	-2.9401
185	A	A	-2.5551
186	A	A	-2.6719
187	E	A	-3.4417
188	A	A	-1.9445
189	G	A	-1.7237
190	R	A	-2.5091
191	Q	A	-1.5397
192	Y	A	0.1747
193	H	A	-0.6753
194	L	A	0.4770
195	A	A	0.2576
196	M	A	0.5045
197	A	A	-0.1777
198	E	A	-1.7585
199	A	A	-1.2549
200	A	A	-0.6893
201	A	A	-0.9738
202	E	A	-2.0581
203	R	A	-1.7239
204	W	A	0.6245
205	I	A	1.3115
206	G	A	-0.4601
207	T	A	-0.6188
208	V	A	0.1944
209	S	A	-1.0004
210	D	A	-2.8495
211	E	A	-3.7091
212	D	A	-3.3095
213	L	A	-1.9993
214	E	A	-3.7938
215	H	A	-3.6674
216	H	A	-3.1968
217	H	A	-2.9103
218	H	A	-3.0003
219	H	A	-2.5554
220	H	A	-2.0229