Project name: a987365c7951632

Chain sequence(s)	A: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA; C: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA; B: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
Selected Chain(s)	A,B,C
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:13:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:10)

• Minimal score value: -4.5224
• Maximal score value: 3.2988
• Average score: -1.0102
• Total score value: -424.3004

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	1.0263
2	D	A	0.2003
3	V	A	2.2464
4	F	A	2.5418
5	M	A	1.5285
6	K	A	-0.5474
7	G	A	-0.8847
8	L	A	0.3521
9	S	A	-0.9127
10	K	A	-2.0338
11	A	A	-2.1669
12	K	A	-2.9773
13	E	A	-2.1872
14	G	A	-0.2985
15	V	A	1.6175
16	V	A	1.9735
17	A	A	0.2721
18	A	A	-0.1845
19	A	A	-0.1356
20	E	A	-2.2610
21	K	A	-3.1691
22	T	A	-2.4563
23	K	A	-3.2675
24	Q	A	-2.6142
25	G	A	-1.5473
26	V	A	-1.1746
27	A	A	-1.0514
28	E	A	-1.9420
29	A	A	-1.4491
30	A	A	-1.2399
31	G	A	-1.5780
32	K	A	-2.6081
33	T	A	-2.8899
34	K	A	-3.6959
35	E	A	-2.5034
36	G	A	-0.5775
37	V	A	1.9786
38	L	A	2.8643
39	Y	A	3.2233
40	V	A	2.5409
41	G	A	0.1166
42	S	A	-0.7559
43	K	A	-2.9288
44	T	A	-2.6732
45	K	A	-3.4056
46	E	A	-3.1238
47	G	A	-1.4577
48	V	A	-0.4643
49	V	A	0.2538
50	H	A	-0.4405
51	G	A	0.2439
52	V	A	1.5408
53	A	A	1.3139
54	T	A	1.2570
55	V	A	1.4053
56	A	A	0.1804
57	E	A	-1.5513
58	K	A	-2.5669
59	T	A	-2.4859
60	K	A	-3.5311
61	E	A	-3.2546
62	Q	A	-2.2657
63	V	A	-0.3736
64	T	A	-0.6577
65	N	A	-0.8707
66	V	A	-0.2461
67	G	A	-0.5365
68	G	A	-0.3258
69	A	A	0.6428
70	V	A	1.4236
71	V	A	1.0580
72	T	A	0.3006
73	G	A	-0.0583
74	V	A	0.7402
75	T	A	0.3531
76	A	A	0.3113
77	V	A	0.4569
78	A	A	-0.2266
79	Q	A	-0.7809
80	K	A	-1.6732
81	T	A	-1.2641
82	V	A	-1.0949
83	E	A	-2.5607
84	G	A	-1.4276
85	A	A	-1.2319
86	G	A	-1.2162
87	S	A	-0.4825
88	I	A	0.7391
89	A	A	0.2759
90	A	A	0.4524
91	A	A	0.5570
92	T	A	0.0000
93	G	A	1.0217
94	F	A	1.2662
95	V	A	-0.2114
96	K	A	-2.3813
97	K	A	-3.1589
98	D	A	-2.5253
99	Q	A	-1.7538
100	L	A	-0.4359
101	G	A	-1.7568
102	K	A	-3.2448
103	N	A	-3.7224
104	E	A	-4.2871
105	E	A	-3.6141
106	G	A	-2.0965
107	A	A	-1.4257
108	P	A	-1.8724
109	Q	A	-2.1015
110	E	A	-1.9895
111	G	A	-0.4904
112	I	A	1.2391
113	L	A	1.2407
114	E	A	-1.0400
115	D	A	-1.3302
116	M	A	0.1445
117	P	A	-0.0062
118	V	A	0.3726
119	D	A	-2.0707
120	P	A	-2.3788
121	D	A	-3.2287
122	N	A	-3.0939
123	E	A	-3.0160
124	A	A	-1.5074
125	Y	A	-0.1905
126	E	A	-0.7449
127	M	A	0.2144
128	P	A	-0.8748
129	S	A	-1.6873
130	E	A	-2.6592
131	E	A	-3.0608
132	G	A	-1.7650
133	Y	A	-0.8049
134	Q	A	-1.9533
135	D	A	-2.3562
136	Y	A	-0.9983
137	E	A	-2.4976
138	P	A	-2.2528
139	E	A	-2.1835
140	A	A	-1.1606
1	M	B	0.8911
2	D	B	0.2424
3	V	B	2.1088
4	F	B	2.5777
5	M	B	1.5538
6	K	B	-0.5087
7	G	B	-0.5990
8	L	B	0.3954
9	S	B	-1.1959
10	K	B	-2.2402
11	A	B	-1.9304
12	K	B	-2.5583
13	E	B	-1.8535
14	G	B	-0.3742
15	V	B	1.7060
16	V	B	2.0715
17	A	B	0.6109
18	A	B	-0.4209
19	A	B	-1.3751
20	E	B	-2.8998
21	K	B	-3.4280
22	T	B	-2.4018
23	K	B	-2.9690
24	Q	B	-2.0706
25	G	B	-1.3780
26	V	B	0.5872
27	A	B	-0.4423
28	E	B	-1.7665
29	A	B	-2.0032
30	A	B	-1.6935
31	G	B	-2.0441
32	K	B	-2.8365
33	T	B	-3.5571
34	K	B	-4.5224
35	E	B	-2.9050
36	G	B	-0.8138
37	V	B	1.4942
38	L	B	3.0479
39	Y	B	3.2988
40	V	B	2.4970
41	G	B	0.1228
42	S	B	0.0000
43	K	B	-3.7397
44	T	B	-3.5448
45	K	B	-3.8184
46	E	B	-3.1817
47	G	B	0.0000
48	V	B	0.0000
49	V	B	0.0000
50	H	B	-0.1560
51	G	B	0.0000
52	V	B	1.2114
53	A	B	1.4636
54	T	B	1.3115
55	V	B	0.4099
56	A	B	-0.3611
57	E	B	-1.8517
58	K	B	-2.4440
59	T	B	-2.7376
60	K	B	-3.4985
61	E	B	-2.7935
62	Q	B	-2.0351
63	V	B	-0.6248
64	T	B	-0.6481
65	N	B	-0.6644
66	V	B	0.0000
67	G	B	-0.8049
68	G	B	0.0000
69	A	B	0.0000
70	V	B	0.0000
71	V	B	0.0000
72	T	B	0.2203
73	G	B	-0.1486
74	V	B	0.0000
75	T	B	0.0000
76	A	B	0.0000
77	V	B	0.0000
78	A	B	0.0000
79	Q	B	0.0000
80	K	B	-1.4977
81	T	B	-1.5949
82	V	B	0.0000
83	E	B	-3.0159
84	G	B	-1.8925
85	A	B	-1.3087
86	G	B	-0.9398
87	S	B	0.0000
88	I	B	0.0000
89	A	B	0.0000
90	A	B	0.0000
91	A	B	0.0000
92	T	B	0.0000
93	G	B	0.0000
94	F	B	0.0000
95	V	B	0.0000
96	K	B	-2.5761
97	K	B	-3.4680
98	D	B	-3.5466
99	Q	B	-3.1233
100	L	B	-1.8223
101	G	B	-2.2515
102	K	B	-3.5485
103	N	B	-3.7092
104	E	B	-3.9847
105	E	B	-3.8612
106	G	B	-2.5141
107	A	B	-1.4069
108	P	B	-1.8671
109	Q	B	-1.7815
110	E	B	-2.0136
111	G	B	-0.8363
112	I	B	1.0989
113	L	B	0.7653
114	E	B	-1.5235
115	D	B	-1.3372
116	M	B	0.1881
117	P	B	0.1789
118	V	B	0.6404
119	D	B	-1.3699
120	P	B	-2.0799
121	D	B	-3.2213
122	N	B	-3.1642
123	E	B	-3.2166
124	A	B	-1.3168
125	Y	B	0.0063
126	E	B	-1.5656
127	M	B	-0.7453
128	P	B	-0.9555
129	S	B	-1.5737
130	E	B	-2.5596
131	E	B	-2.9275
132	G	B	-1.6730
133	Y	B	-0.6081
134	Q	B	-1.6675
135	D	B	-1.9519
136	Y	B	-0.8224
137	E	B	-2.2871
138	P	B	-1.8593
139	E	B	-2.1870
140	A	B	-1.1708
1	M	C	1.0974
2	D	C	0.0897
3	V	C	2.1496
4	F	C	2.2950
5	M	C	1.2514
6	K	C	-0.2668
7	G	C	0.3561
8	L	C	1.1559
9	S	C	-0.9882
10	K	C	-2.0447
11	A	C	-2.0898
12	K	C	-2.8651
13	E	C	-2.3922
14	G	C	-0.4758
15	V	C	1.7375
16	V	C	2.3281
17	A	C	1.0626
18	A	C	-0.1331
19	A	C	-1.0634
20	E	C	-2.7830
21	K	C	-3.2316
22	T	C	-2.3944
23	K	C	-2.8048
24	Q	C	-1.9338
25	G	C	-1.1320
26	V	C	0.3526
27	A	C	-0.9156
28	E	C	-1.8649
29	A	C	-1.6912
30	A	C	-1.4832
31	G	C	-1.9722
32	K	C	-3.4044
33	T	C	-3.9103
34	K	C	-3.8797
35	E	C	-2.9405
36	G	C	-0.6857
37	V	C	1.4238
38	L	C	2.7259
39	Y	C	2.8077
40	V	C	2.4937
41	G	C	-0.0305
42	S	C	-0.7929
43	K	C	-2.9894
44	T	C	-2.7566
45	K	C	-3.5204
46	E	C	-3.0897
47	G	C	-1.8193
48	V	C	-0.8575
49	V	C	0.0000
50	H	C	-0.5662
51	G	C	0.0000
52	V	C	1.8682
53	A	C	1.1292
54	T	C	0.6116
55	V	C	0.2992
56	A	C	-0.7424
57	E	C	-2.4309
58	K	C	-2.7759
59	T	C	-2.2207
60	K	C	-3.2882
61	E	C	-2.6080
62	Q	C	-1.7671
63	V	C	0.4127
64	T	C	-0.1977
65	N	C	-0.9677
66	V	C	-0.4931
67	G	C	-0.7422
68	G	C	-0.5902
69	A	C	0.2123
70	V	C	0.5840
71	V	C	0.6621
72	T	C	0.0017
73	G	C	-0.3367
74	V	C	0.5336
75	T	C	0.2898
76	A	C	0.2771
77	V	C	0.5161
78	A	C	-0.5490
79	Q	C	-1.2645
80	K	C	-2.1105
81	T	C	-1.2804
82	V	C	-1.0098
83	E	C	-2.3638
84	G	C	-1.5270
85	A	C	-0.8532
86	G	C	-0.7961
87	S	C	-0.7515
88	I	C	0.1569
89	A	C	-0.0689
90	A	C	0.2531
91	A	C	0.2153
92	T	C	0.2470
93	G	C	0.4123
94	F	C	0.6413
95	V	C	-0.5120
96	K	C	-2.3746
97	K	C	-3.5181
98	D	C	-3.6371
99	Q	C	-2.3909
100	L	C	-0.2357
101	G	C	-1.4432
102	K	C	-3.1861
103	N	C	-3.4280
104	E	C	-3.9451
105	E	C	-3.8529
106	G	C	-2.3419
107	A	C	-1.5017
108	P	C	-1.9544
109	Q	C	-2.1162
110	E	C	-2.3425
111	G	C	-0.9290
112	I	C	0.9542
113	L	C	0.6971
114	E	C	-1.5912
115	D	C	-1.1216
116	M	C	-0.5669
117	P	C	-0.1486
118	V	C	0.3144
119	D	C	-1.9534
120	P	C	-2.0311
121	D	C	-2.8299
122	N	C	-3.0863
123	E	C	-2.7168
124	A	C	-1.3621
125	Y	C	-0.2739
126	E	C	-1.6059
127	M	C	-0.3871
128	P	C	-0.7223
129	S	C	-1.5573
130	E	C	-2.6577
131	E	C	-2.8779
132	G	C	-1.5907
133	Y	C	-0.7197
134	Q	C	-1.7015
135	D	C	-1.8368
136	Y	C	-0.9767
137	E	C	-2.1115
138	P	C	-1.6856
139	E	C	-2.2227
140	A	C	-1.1545