Project name: e1e6c71f871394c

Chain sequence(s)	P: VLTRVRKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAGKKVLGAFSDGLALDNLKGTFATLSELCDKLVDPENFRLLGNVLVCVLAFGKEFTPPVQAAYQKVVAGVANALAKYVLTPVEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAGKKVLGAFSDGLALDNLKGTFATLSELCDKLVDPENFRLLGNVLVCVLAFGKEFTPPVQAAYQKVVAGVANALAKY
Selected Chain(s)	P
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 P 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                                          (00:07:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:09)

• Minimal score value: -3.7464
• Maximal score value: 1.8704
• Average score: -0.8598
• Total score value: -235.5887

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	V	P	0.7920
3	L	P	0.0140
4	T	P	-0.3166
5	R	P	-1.3538
6	V	P	0.4004
7	R	P	-0.7351
8	K	P	-0.7082
9	S	P	-0.5160
10	A	P	-0.3120
11	V	P	0.0000
12	T	P	-0.4202
13	A	P	-0.5992
14	L	P	0.0000
15	W	P	-0.7327
16	G	P	-1.3256
17	K	P	-1.9115
18	V	P	-1.5199
19	N	P	-2.4752
20	V	P	-2.0633
21	D	P	-3.0520
22	E	P	-3.1222
23	V	P	0.0000
24	G	P	0.0000
25	G	P	-2.4473
26	E	P	-1.7758
27	A	P	0.0000
28	L	P	0.0000
29	G	P	0.0000
30	R	P	-0.4771
31	L	P	0.0000
32	L	P	0.0000
33	V	P	0.7176
34	V	P	1.8091
35	Y	P	1.2151
36	P	P	0.4060
37	W	P	0.5915
38	T	P	0.0000
39	Q	P	-0.8322
40	R	P	-1.6820
41	F	P	-0.0587
42	F	P	-1.1445
43	E	P	-2.3120
44	S	P	-1.4807
45	F	P	-1.2945
46	G	P	-1.9706
47	D	P	-2.5284
48	L	P	0.0000
49	S	P	-1.1463
50	T	P	-0.9762
51	P	P	-0.9004
52	D	P	-2.0351
53	A	P	-1.5458
54	V	P	0.0000
55	M	P	-1.1388
56	G	P	-1.5462
57	N	P	-1.7347
58	P	P	-1.5689
59	K	P	-2.2795
60	V	P	0.0000
61	K	P	-2.9889
62	A	P	-2.1540
64	G	P	0.0000
65	K	P	-3.1721
66	K	P	-2.2072
67	V	P	-0.6096
68	L	P	0.0000
69	G	P	-1.5500
70	A	P	-0.9462
71	F	P	0.0000
72	S	P	-0.9107
73	D	P	-1.6730
74	G	P	0.0000
75	L	P	-0.5756
76	A	P	-0.8336
78	L	P	-0.9166
79	D	P	-2.0751
80	N	P	-2.4228
81	L	P	0.0000
82	K	P	-2.6748
83	G	P	-1.9316
84	T	P	-1.5013
85	F	P	0.0000
86	A	P	-1.2653
87	T	P	-0.6005
88	L	P	-0.2166
89	S	P	0.0000
90	E	P	-1.7647
91	L	P	-0.6720
93	C	P	-0.9796
94	D	P	-2.1733
95	K	P	-1.6588
96	L	P	0.3887
98	V	P	-0.5252
99	D	P	-1.9813
100	P	P	-1.9009
101	E	P	-2.7471
102	N	P	-1.5870
103	F	P	-1.5494
104	R	P	-2.6963
105	L	P	-1.0034
106	L	P	-0.7679
107	G	P	0.0000
108	N	P	-1.0502
109	V	P	0.0000
110	L	P	0.0000
111	V	P	0.0000
112	C	P	0.4743
113	V	P	0.3640
114	L	P	0.0000
115	A	P	0.0282
118	F	P	0.0391
119	G	P	-1.0452
120	K	P	-2.2075
121	E	P	-1.8159
122	F	P	0.0000
123	T	P	-1.0922
124	P	P	-0.9077
125	P	P	-0.4870
126	V	P	-0.6332
127	Q	P	-1.3052
128	A	P	-1.1041
129	A	P	0.0000
130	Y	P	0.0000
131	Q	P	-1.7135
132	K	P	-1.4514
133	V	P	0.0000
134	V	P	0.0000
135	A	P	-1.2451
136	G	P	-0.8401
137	V	P	0.0000
138	A	P	0.0000
139	N	P	-1.9043
140	A	P	0.0000
141	L	P	-0.7260
142	A	P	-1.2569
144	K	P	-2.0445
145	Y	P	-0.5485
1	V	P	1.3880
3	L	P	0.2984
4	T	P	0.3065
5	P	P	0.3595
6	V	P	1.3361
7	E	P	-0.0001
8	K	P	-0.4580
9	S	P	0.0955
10	A	P	0.0727
11	V	P	0.0000
12	T	P	-0.4933
13	A	P	-0.4566
14	L	P	-0.6487
15	W	P	0.0000
16	G	P	-1.3440
17	K	P	-1.9520
18	V	P	-1.6529
19	N	P	-2.6245
20	V	P	-2.3509
21	D	P	-3.7464
22	E	P	-3.4786
23	V	P	-2.0183
24	G	P	0.0000
25	G	P	-2.6860
26	E	P	-2.1901
27	A	P	0.0000
28	L	P	-0.5834
29	G	P	0.0000
30	R	P	-0.5264
31	L	P	0.0000
32	L	P	0.0000
33	V	P	0.7477
34	V	P	1.8704
35	Y	P	1.3239
36	P	P	0.3202
37	W	P	0.3114
38	T	P	0.0000
39	Q	P	-0.9737
40	R	P	-1.8328
41	F	P	-0.0763
42	F	P	-1.1160
43	E	P	-2.3552
44	S	P	-1.5268
45	F	P	-1.2825
46	G	P	-1.9503
47	D	P	-2.5125
48	L	P	0.0000
49	S	P	-1.1176
50	T	P	-1.0110
51	P	P	-0.9208
52	D	P	-2.0437
53	A	P	-1.5319
54	V	P	0.0000
55	M	P	-1.2985
56	G	P	-1.6144
57	N	P	0.0000
58	P	P	-1.5678
59	K	P	-2.2676
60	V	P	0.0000
61	K	P	-3.1002
62	A	P	-2.2940
64	G	P	0.0000
65	K	P	-3.1186
66	K	P	-2.1699
67	V	P	-0.2410
68	L	P	0.0000
69	G	P	-1.4068
70	A	P	-0.9002
71	F	P	0.0000
72	S	P	-1.0059
73	D	P	-1.8169
74	G	P	0.0000
75	L	P	0.0000
76	A	P	-0.9624
78	L	P	-1.3563
79	D	P	-2.4200
80	N	P	-2.7546
81	L	P	0.0000
82	K	P	-2.8279
83	G	P	-1.8511
84	T	P	-1.4888
85	F	P	0.0000
86	A	P	-0.9696
87	T	P	-0.5141
88	L	P	0.0773
89	S	P	0.0000
90	E	P	-1.4776
91	L	P	-0.3059
93	C	P	-0.7667
94	D	P	-2.0327
95	K	P	-1.5614
96	L	P	0.4743
98	V	P	-0.3448
99	D	P	-1.6298
100	P	P	-1.3864
101	E	P	-2.3153
102	N	P	0.0000
103	F	P	-0.9190
104	R	P	-1.5792
105	L	P	-0.4474
106	L	P	-0.4026
107	G	P	0.0000
108	N	P	-0.9658
109	V	P	0.0000
110	L	P	0.0000
111	V	P	0.0000
112	C	P	0.5053
113	V	P	0.2056
114	L	P	0.0000
115	A	P	-0.2273
118	F	P	-0.6040
119	G	P	-1.5046
120	K	P	-2.6614
121	E	P	-2.6178
122	F	P	0.0000
123	T	P	-1.3473
124	P	P	-0.9718
125	P	P	-0.3945
126	V	P	-0.5754
127	Q	P	-1.2275
128	A	P	-0.9194
129	A	P	0.0000
130	Y	P	0.0000
131	Q	P	-1.5762
132	K	P	-1.0178
133	V	P	0.0000
134	V	P	0.0000
135	A	P	-0.5605
136	G	P	0.0000
137	V	P	0.0000
138	A	P	0.0000
139	N	P	-0.8846
140	A	P	0.0000
141	L	P	-0.4318
142	A	P	-0.8876
144	K	P	-1.7360
145	Y	P	-0.1834