Project name: 6b28a5a13b35875

Chain sequence(s)	A: EGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVK; C: EGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVK; B: EGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVK; E: EGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVK; D: EGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVK; F: EGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVK
Selected Chain(s)	A,C,B,E,D,F
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 all 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                                          (00:05:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:16)

• Minimal score value: -4.8195
• Maximal score value: 2.1245
• Average score: -0.4725
• Total score value: -144.5847

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
46	E	E	-2.1168
47	G	E	-0.3375
48	V	E	2.0239
49	V	E	2.0194
50	H	E	-0.0190
51	G	E	-0.1217
52	V	E	0.0778
53	A	E	-0.0096
54	T	E	0.9958
55	V	E	1.6462
56	A	E	-1.0534
57	E	E	-2.7529
58	K	E	-3.7363
59	T	E	-4.0925
60	K	E	-4.0076
61	E	E	-3.3111
62	Q	E	-1.9287
63	V	E	-0.1565
64	T	E	0.3067
65	N	E	0.5797
66	V	E	1.6591
67	G	E	0.3567
68	G	E	0.3072
69	A	E	0.9210
70	V	E	1.2206
71	V	E	1.8519
72	T	E	0.7370
73	G	E	0.4558
74	V	E	0.5951
75	T	E	0.4950
76	A	E	0.3300
77	V	E	0.4716
78	A	E	-0.2293
79	Q	E	-1.1177
80	K	E	-2.0954
81	T	E	-1.5772
82	V	E	-1.7532
83	E	E	-2.8257
84	G	E	-1.8724
85	A	E	-0.8441
86	G	E	-0.7785
87	S	E	-0.6689
88	I	E	0.3810
89	A	E	0.1076
90	A	E	0.2147
91	A	E	0.4152
92	T	E	0.5987
93	G	E	0.0000
94	F	E	0.5969
95	V	E	-0.0370
96	K	E	-1.8685
46	E	A	-2.5607
47	G	A	-0.6671
48	V	A	1.3783
49	V	A	1.3512
50	H	A	-0.3164
51	G	A	-0.4224
52	V	A	0.0000
53	A	A	0.2176
54	T	A	0.0000
55	V	A	1.4829
56	A	A	0.0000
57	E	A	-2.8983
58	K	A	-4.4049
59	T	A	0.0000
60	K	A	-4.8001
61	E	A	-3.2901
62	Q	A	0.0000
63	V	A	0.0000
64	T	A	0.0000
65	N	A	0.0000
66	V	A	0.8010
67	G	A	0.2843
68	G	A	0.0000
69	A	A	0.0000
70	V	A	0.0000
71	V	A	0.0000
72	T	A	0.4166
73	G	A	0.0000
74	V	A	0.0000
75	T	A	0.0000
76	A	A	0.0000
77	V	A	0.0000
78	A	A	0.0000
79	Q	A	0.0000
80	K	A	-1.8394
81	T	A	-2.0700
82	V	A	0.0000
83	E	A	-3.2134
84	G	A	0.0000
85	A	A	-1.4181
86	G	A	-0.9953
87	S	A	0.0000
88	I	A	0.0000
89	A	A	0.0000
90	A	A	0.0000
91	A	A	0.0000
92	T	A	0.0000
93	G	A	0.0000
94	F	A	0.0000
95	V	A	-0.7198
96	K	A	-2.1722
46	E	B	-2.2550
47	G	B	-0.7390
48	V	B	1.4422
49	V	B	0.9393
50	H	B	-0.6269
51	G	B	-0.4359
52	V	B	0.3327
53	A	B	0.4692
54	T	B	1.3478
55	V	B	1.7830
56	A	B	-0.8624
57	E	B	-2.9872
58	K	B	-4.4026
59	T	B	-3.5233
60	K	B	-4.1840
61	E	B	-3.3653
62	Q	B	0.0000
63	V	B	-0.1453
64	T	B	0.2053
65	N	B	-0.3190
66	V	B	0.7359
67	G	B	-0.1107
68	G	B	0.0000
69	A	B	0.2962
70	V	B	0.4587
71	V	B	0.4661
72	T	B	-0.1481
73	G	B	-0.3733
74	V	B	0.0139
75	T	B	0.3040
76	A	B	0.3894
77	V	B	0.4681
78	A	B	0.1074
79	Q	B	-0.6311
80	K	B	-1.9825
81	T	B	-1.6506
82	V	B	-1.5583
83	E	B	-2.8661
84	G	B	-1.5625
85	A	B	-1.0182
86	G	B	-0.9770
87	S	B	-0.6098
88	I	B	0.5070
89	A	B	0.0847
90	A	B	0.0000
91	A	B	0.2931
92	T	B	0.1617
93	G	B	0.0371
94	F	B	0.2135
95	V	B	-0.2470
96	K	B	-1.9368
46	E	F	-2.0977
47	G	F	-0.3104
48	V	F	2.0384
49	V	F	2.1245
50	H	F	0.0311
51	G	F	-0.1017
52	V	F	0.1040
53	A	F	-0.0002
54	T	F	0.9953
55	V	F	1.6401
56	A	F	-1.0711
57	E	F	-2.7468
58	K	F	-3.7314
59	T	F	-4.0962
60	K	F	-4.0046
61	E	F	-3.3343
62	Q	F	-1.9042
63	V	F	-0.1258
64	T	F	0.3435
65	N	F	0.5817
66	V	F	1.5715
67	G	F	0.3563
68	G	F	0.2965
69	A	F	0.8972
70	V	F	1.2004
71	V	F	1.7683
72	T	F	0.6398
73	G	F	0.3099
74	V	F	0.1891
75	T	F	0.4757
76	A	F	0.0000
77	V	F	0.3509
78	A	F	0.0000
79	Q	F	-0.7547
80	K	F	-1.5879
81	T	F	-1.3519
82	V	F	-1.5856
83	E	F	-2.7518
84	G	F	-1.8333
85	A	F	-0.8098
86	G	F	-0.7379
87	S	F	-0.6222
88	I	F	0.4046
89	A	F	0.1107
90	A	F	0.1972
91	A	F	0.3901
92	T	F	0.5263
93	G	F	0.0000
94	F	F	0.5615
95	V	F	-0.0701
96	K	F	-1.8370
46	E	C	-2.5855
47	G	C	-0.7872
48	V	C	1.2543
49	V	C	1.3248
50	H	C	-0.3057
51	G	C	-0.4168
52	V	C	0.0000
53	A	C	0.2286
54	T	C	0.0000
55	V	C	1.4640
56	A	C	0.0000
57	E	C	-2.9868
58	K	C	-4.4280
59	T	C	0.0000
60	K	C	-4.8195
61	E	C	-3.2079
62	Q	C	0.0000
63	V	C	0.0000
64	T	C	0.0000
65	N	C	0.0000
66	V	C	0.8015
67	G	C	0.2768
68	G	C	0.0000
69	A	C	0.0000
70	V	C	0.0000
71	V	C	0.0000
72	T	C	0.4929
73	G	C	0.0000
74	V	C	0.0000
75	T	C	0.0000
76	A	C	0.0000
77	V	C	0.0000
78	A	C	0.0000
79	Q	C	0.0000
80	K	C	-1.6631
81	T	C	-1.9520
82	V	C	0.0000
83	E	C	-3.1795
84	G	C	0.0000
85	A	C	-1.3605
86	G	C	-0.8921
87	S	C	0.0000
88	I	C	0.0000
89	A	C	0.0000
90	A	C	0.0000
91	A	C	0.0000
92	T	C	0.0000
93	G	C	0.0000
94	F	C	0.0000
95	V	C	-0.7836
96	K	C	-2.1329
46	E	D	-2.2798
47	G	D	-0.7589
48	V	D	1.4073
49	V	D	0.9788
50	H	D	-0.6273
51	G	D	-0.4061
52	V	D	0.3747
53	A	D	0.4885
54	T	D	1.4049
55	V	D	1.7727
56	A	D	-0.8908
57	E	D	-3.0278
58	K	D	-4.4478
59	T	D	-3.5517
60	K	D	-4.1996
61	E	D	-3.3188
62	Q	D	0.0000
63	V	D	0.1937
64	T	D	0.3740
65	N	D	-0.0612
66	V	D	0.7747
67	G	D	-0.1503
68	G	D	0.0000
69	A	D	0.2328
70	V	D	0.5173
71	V	D	0.6891
72	T	D	0.1597
73	G	D	0.2851
74	V	D	1.3100
75	T	D	0.9112
76	A	D	0.6458
77	V	D	0.6016
78	A	D	-0.1588
79	Q	D	-0.8958
80	K	D	-2.2062
81	T	D	-1.6866
82	V	D	-1.5739
83	E	D	-2.8581
84	G	D	-1.5336
85	A	D	-0.9817
86	G	D	-0.9333
87	S	D	-0.5831
88	I	D	0.5274
89	A	D	0.0903
90	A	D	0.0000
91	A	D	0.2644
92	T	D	0.2753
93	G	D	-0.0180
94	F	D	0.0927
95	V	D	-0.4960
96	K	D	-2.0265