Project name: f21608c487cf481

Chain sequence(s)	A: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA; B: MPQLNPAPWLSILVFSWLVFLIILPPKVMATYPNEPTPQSTEKPKGEPWNWPW
Selected Chain(s)	A,B
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 all 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                                          (00:05:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:45)

• Minimal score value: -4.0088
• Maximal score value: 3.8361
• Average score: -0.3746
• Total score value: -71.9248

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	1.2476
2	D	A	0.0029
3	V	A	1.7942
4	F	A	2.2375
5	M	A	0.9009
6	K	A	-1.0195
7	G	A	-0.6368
8	L	A	-0.4171
9	S	A	-1.5289
10	K	A	-2.5870
11	A	A	-1.5888
12	K	A	-2.1763
13	E	A	-2.1475
14	G	A	-0.9316
15	V	A	0.6432
16	V	A	0.5365
17	A	A	-0.6868
18	A	A	-0.8093
19	A	A	-1.1361
20	E	A	-2.7031
21	K	A	-2.9110
22	T	A	-2.2545
23	K	A	-3.1935
24	Q	A	-3.0779
25	G	A	-1.8082
26	V	A	-0.2218
27	A	A	-1.2654
28	E	A	-2.3862
29	A	A	-1.5646
30	A	A	-1.4582
31	G	A	-2.4161
32	K	A	-3.0272
33	T	A	-1.7787
34	K	A	-2.2249
35	E	A	-1.7156
36	G	A	0.1032
37	V	A	1.7346
38	L	A	1.8348
39	Y	A	1.8990
40	V	A	2.1294
41	G	A	0.7386
42	S	A	0.3132
43	K	A	-0.8358
44	T	A	-0.4322
45	K	A	-1.1094
46	E	A	-0.5372
47	G	A	-0.4048
48	V	A	1.3952
49	V	A	1.4349
51	G	A	0.8271
52	V	A	2.4804
53	A	A	1.0543
54	T	A	-0.0500
55	V	A	0.3689
56	A	A	-0.6246
57	E	A	-2.4417
58	K	A	-2.6384
59	T	A	-1.9206
60	K	A	-3.0483
61	E	A	-3.4045
62	Q	A	-2.3811
63	V	A	-0.3764
64	T	A	-1.0156
65	N	A	-1.5953
66	V	A	0.4491
67	G	A	0.9406
68	G	A	0.5558
69	A	A	0.7562
70	V	A	2.5897
71	V	A	3.1918
72	T	A	1.6256
73	G	A	1.8598
74	V	A	3.0769
75	T	A	1.5718
76	A	A	1.3389
77	V	A	1.9260
78	A	A	0.7148
79	Q	A	-0.5377
80	K	A	-0.4626
81	T	A	0.0357
82	V	A	0.9466
83	E	A	-0.4622
84	G	A	0.2254
85	A	A	0.6423
86	G	A	0.6989
87	S	A	0.0000
88	I	A	2.7119
89	A	A	1.7398
90	A	A	2.5291
91	A	A	3.0991
92	T	A	2.3096
93	G	A	0.0000
94	F	A	2.1638
95	V	A	0.3128
96	K	A	-1.8732
97	K	A	-2.2074
98	D	A	-1.9771
99	Q	A	-1.6552
100	L	A	-0.1238
101	G	A	-1.1682
102	K	A	-2.8105
103	N	A	-3.5965
104	E	A	-4.0088
105	E	A	-3.5758
106	G	A	-2.2892
107	A	A	-1.6151
108	P	A	-1.8474
109	Q	A	-2.1233
110	E	A	-2.0283
111	G	A	-0.6195
112	I	A	0.9260
113	L	A	0.9064
114	E	A	-1.3124
115	D	A	-1.2542
116	M	A	0.0469
117	P	A	-0.3035
118	V	A	0.2340
119	D	A	-2.2095
120	P	A	-2.2856
121	D	A	-3.4685
122	N	A	-3.1333
123	E	A	-3.1145
124	A	A	-1.3157
125	Y	A	-0.0198
126	E	A	-1.0016
127	M	A	0.1090
128	P	A	-0.9955
129	S	A	-1.9004
130	E	A	-2.5295
131	E	A	-2.8768
132	G	A	-1.9644
133	Y	A	-0.6980
134	Q	A	-1.7351
135	D	A	-1.9948
136	Y	A	-0.9252
137	E	A	-2.5261
138	P	A	-1.8755
139	E	A	-2.2304
140	A	A	-1.1562
1	M	B	0.6187
2	P	B	-0.2314
3	Q	B	-0.9940
4	L	B	-0.2010
5	N	B	-0.9228
6	P	B	-0.4159
7	A	B	-0.0059
8	P	B	0.0984
9	W	B	0.9399
10	L	B	2.5700
11	S	B	1.7997
12	I	B	1.9910
13	L	B	2.5168
14	V	B	3.3195
15	F	B	3.4379
16	S	B	3.0336
17	W	B	3.5940
18	L	B	3.8361
19	V	B	3.4726
20	F	B	3.0876
21	L	B	3.3906
22	I	B	3.5392
23	I	B	2.7837
24	L	B	1.2436
25	P	B	0.7041
26	P	B	0.2568
27	K	B	-0.8484
28	V	B	-0.4813
29	M	B	0.4592
30	A	B	0.1321
32	T	B	0.3095
33	Y	B	0.2661
34	P	B	-0.6952
35	N	B	-1.5025
36	E	B	-2.0252
37	P	B	-1.0714
38	T	B	-1.2971
39	P	B	-1.0200
40	Q	B	-1.4764
41	S	B	-1.4869
42	T	B	-1.8174
43	E	B	-3.1463
44	K	B	-3.0934
45	P	B	-2.7108
46	K	B	-3.0086
47	G	B	-1.7469
48	E	B	-1.9561
49	P	B	-0.7676
50	W	B	-0.0935
51	N	B	-1.1979
52	W	B	0.0961
53	P	B	0.1519
54	W	B	1.0265