Project name: 218-414

Chain sequence(s)	A: MDVFIPKPFRAFAFVTFADDQIAQSLCGEDLIIKGISVHISNAEPKHNSNRQLERSGRFGGNPGGFGNQGGFGNSRGGGAGLGNNQGSNMGGGMNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQREPNQAFGSGNNSYSGSNSGAAIGWGSASNAGSGSGFNGGFGSSMDSKSSGWGM
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -3.8468
• Maximal score value: 3.5872
• Average score: -0.5964
• Total score value: -117.4929

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	0.9279
2	D	A	0.5749
3	V	A	3.1001
4	F	A	3.5872
5	I	A	3.0278
6	P	A	0.7767
7	K	A	-0.9883
8	P	A	-0.6218
9	F	A	0.8878
10	R	A	-0.6110
11	A	A	0.6373
12	F	A	2.1561
13	A	A	2.9680
14	F	A	2.9622
15	V	A	3.0111
16	T	A	1.1225
17	F	A	0.4321
18	A	A	-0.2672
19	D	A	-1.1578
20	D	A	-2.3893
21	Q	A	-1.8736
22	I	A	-0.1121
23	A	A	-0.7499
24	Q	A	-1.9502
25	S	A	-0.9477
26	L	A	-0.7986
27	C	A	-1.3046
28	G	A	-1.8422
29	E	A	-2.4099
30	D	A	-1.8690
31	L	A	0.5863
32	I	A	2.4155
33	I	A	1.7881
34	K	A	-0.2541
35	G	A	0.7104
36	I	A	2.3120
37	S	A	1.2965
38	V	A	0.9093
39	H	A	-0.9401
40	I	A	-0.7536
41	S	A	-1.4781
42	N	A	-1.7699
43	A	A	-1.3851
44	E	A	-2.8453
45	P	A	-2.5270
46	K	A	-3.1494
47	H	A	-3.2292
48	N	A	-3.3212
49	S	A	-2.6200
50	N	A	-3.0566
51	R	A	-3.8468
52	Q	A	-3.0509
53	L	A	-1.5051
54	E	A	-3.4936
55	R	A	-3.3532
56	S	A	-1.8158
57	G	A	-1.8404
58	R	A	-2.1024
59	F	A	0.1411
60	G	A	-0.7055
61	G	A	-1.3335
62	N	A	-1.6606
63	P	A	-1.3665
64	G	A	-0.7621
65	G	A	-0.2770
66	F	A	0.9312
67	G	A	-0.7029
68	N	A	-1.8048
69	Q	A	-2.0660
70	G	A	-1.1477
71	G	A	-0.3834
72	F	A	1.1068
73	G	A	-0.3548
74	N	A	-1.6535
75	S	A	-1.9221
76	R	A	-2.5544
77	G	A	-1.7804
78	G	A	-1.4007
79	G	A	-0.7341
80	A	A	-0.2293
81	G	A	-0.0562
82	L	A	0.6146
83	G	A	-0.8705
84	N	A	-2.0602
85	N	A	-2.5538
86	Q	A	-2.5534
87	G	A	-1.6625
88	S	A	-1.1447
89	N	A	-1.2803
90	M	A	-0.0577
91	G	A	-0.5526
92	G	A	-0.7373
93	G	A	-0.2326
94	M	A	0.5165
95	N	A	-0.1511
96	F	A	1.7925
97	G	A	0.6803
98	A	A	1.1505
99	F	A	2.1732
100	S	A	0.7918
101	I	A	0.9334
102	N	A	-0.4629
103	P	A	-0.1571
104	A	A	0.2966
105	M	A	0.7776
106	M	A	0.6708
107	A	A	0.1300
108	A	A	0.3731
109	A	A	-0.0019
110	Q	A	-0.8964
111	A	A	-0.5236
112	A	A	-0.1755
113	L	A	-0.1156
114	Q	A	-0.8809
115	S	A	-0.1788
116	S	A	0.5732
117	W	A	1.2813
118	G	A	0.7595
119	M	A	1.7308
120	M	A	2.0910
121	G	A	1.0549
122	M	A	1.3786
123	L	A	0.9843
124	A	A	-0.0007
125	S	A	-0.9651
126	Q	A	-2.0297
127	Q	A	-2.4808
128	N	A	-2.8308
129	Q	A	-2.6929
130	S	A	-1.6134
131	G	A	-1.2785
132	P	A	-0.9332
133	S	A	-1.1383
134	G	A	-1.5752
135	N	A	-2.4721
136	N	A	-2.9139
137	Q	A	-3.0154
138	N	A	-2.8452
139	Q	A	-2.5935
140	G	A	-1.7333
141	N	A	-1.5002
142	M	A	-0.6438
143	Q	A	-2.2382
144	R	A	-3.1458
145	E	A	-3.3537
146	P	A	-2.5072
147	N	A	-2.1403
148	Q	A	-1.4816
149	A	A	-0.0363
150	F	A	1.2256
151	G	A	-0.0532
152	S	A	-0.6338
153	G	A	-1.4445
154	N	A	-2.1318
155	N	A	-1.8116
156	S	A	-0.6773
157	Y	A	0.4551
158	S	A	-0.1966
159	G	A	-0.6897
160	S	A	-1.0655
161	N	A	-1.7470
162	S	A	-1.1447
163	G	A	-0.6305
164	A	A	0.1272
165	A	A	0.9276
166	I	A	2.0094
167	G	A	0.9481
168	W	A	1.1922
169	G	A	0.1083
170	S	A	-0.4076
171	A	A	-0.5067
172	S	A	-0.9684
173	N	A	-1.5189
174	A	A	-0.9422
175	G	A	-1.0841
176	S	A	-0.8920
177	G	A	-0.6958
178	S	A	-0.3518
179	G	A	-0.0701
180	F	A	0.8835
181	N	A	-0.7622
182	G	A	-0.4968
183	G	A	-0.1458
184	F	A	1.2787
185	G	A	0.3312
186	S	A	-0.0593
187	S	A	-0.1759
188	M	A	-0.2150
189	D	A	-1.9133
190	S	A	-1.7456
191	K	A	-2.3647
192	S	A	-1.4006
193	S	A	-0.7798
194	G	A	-0.2607
195	W	A	0.8956
196	G	A	0.4726
197	M	A	1.0471