Project name: NATIVE_BETA_LACTO

Chain sequence(s)	A: LIVTQTMKGLDIQKVAGTWYSLAMAASDISLLDAQSAPLRVYVEELKPTPEGDLEILLQKWENGECAQKKIIAEKTKIPAVFKIDALNENKVLVLDTDYKKYLLFCMENSAEPEQSLACQCLVRTPEVDDEALEKFDKALKALPMHIRLSFNPTQLEEQCHI
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]                                                (00:00:00)
[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 A 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                                          (00:02:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:16)

• Minimal score value: -4.364
• Maximal score value: 1.6179
• Average score: -1.1586
• Total score value: -187.6893

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	L	A	1.6179
2	I	A	0.5914
3	V	A	0.0000
4	T	A	0.1531
5	Q	A	-0.5651
6	T	A	-0.6257
7	M	A	-1.2062
8	K	A	-2.0993
9	G	A	-1.4957
10	L	A	0.0000
11	D	A	-2.2521
12	I	A	-1.8575
13	Q	A	-2.4964
14	K	A	-2.8712
15	V	A	0.0000
16	A	A	-1.4682
17	G	A	-1.0068
18	T	A	-0.6489
19	W	A	0.0000
20	Y	A	-0.6289
21	S	A	0.0000
22	L	A	0.0000
23	A	A	0.0000
24	M	A	0.0000
25	A	A	0.0000
26	A	A	0.0000
27	S	A	0.0000
28	D	A	-0.8472
29	I	A	0.3099
30	S	A	-0.2326
31	L	A	0.0000
32	L	A	0.0000
33	D	A	-1.8632
34	A	A	-1.3139
35	Q	A	-1.4368
36	S	A	-1.8288
37	A	A	0.0000
38	P	A	-0.8230
39	L	A	-0.3758
40	R	A	-0.7380
41	V	A	0.0000
42	Y	A	0.0000
43	V	A	0.0000
44	E	A	-1.2668
45	E	A	-1.2963
46	L	A	0.0000
47	K	A	-1.7409
48	P	A	-1.9567
49	T	A	-1.6561
50	P	A	-1.5436
51	E	A	-2.4989
52	G	A	-2.4079
53	D	A	-2.4411
54	L	A	0.0000
55	E	A	-1.1371
56	I	A	0.0000
57	L	A	-1.3657
58	L	A	0.0000
59	Q	A	0.0000
60	K	A	-1.7342
61	W	A	-2.3315
62	E	A	-3.3797
63	N	A	-3.0462
64	G	A	-2.4695
65	E	A	-3.0334
66	C	A	-1.9838
67	A	A	-2.1039
68	Q	A	-2.2086
69	K	A	-2.1535
70	K	A	-2.1102
71	I	A	-0.7479
72	I	A	-0.6222
73	A	A	0.0000
74	E	A	-3.1982
75	K	A	-3.0915
76	T	A	-2.0844
77	K	A	-1.7343
78	I	A	-0.7124
79	P	A	-1.1615
80	A	A	0.0000
81	V	A	0.0000
82	F	A	0.0000
83	K	A	-2.6526
84	I	A	-1.9582
85	D	A	-2.4394
86	A	A	-1.4026
87	L	A	0.2259
88	N	A	-1.7011
89	E	A	-2.7526
90	N	A	-2.1516
91	K	A	-1.5779
92	V	A	0.0000
93	L	A	0.0000
94	V	A	0.0000
95	L	A	0.0000
96	D	A	-0.9365
97	T	A	0.0000
98	D	A	-1.3021
99	Y	A	-1.7505
100	K	A	-2.3367
101	K	A	-1.8943
102	Y	A	0.0000
103	L	A	0.0000
104	L	A	0.0000
105	F	A	0.0000
106	C	A	0.0000
107	M	A	0.0085
108	E	A	0.0000
109	N	A	-1.6287
110	S	A	-1.4484
111	A	A	-1.8469
112	E	A	-2.8985
113	P	A	-1.9222
114	E	A	-2.9328
115	Q	A	-2.7635
116	S	A	-1.6615
117	L	A	0.0000
118	A	A	0.0000
119	C	A	0.0000
120	Q	A	0.0000
121	C	A	0.0000
122	L	A	0.0000
123	V	A	0.0000
124	R	A	-1.2276
125	T	A	-1.1631
126	P	A	-1.4991
127	E	A	-2.1329
128	V	A	-1.0572
129	D	A	-2.0398
130	D	A	-3.3135
131	E	A	-3.6567
132	A	A	0.0000
133	L	A	-2.7503
134	E	A	-4.3640
135	K	A	-3.6084
136	F	A	0.0000
137	D	A	-4.2468
138	K	A	-3.7639
139	A	A	0.0000
140	L	A	0.0000
141	K	A	-2.6332
142	A	A	-1.2652
143	L	A	-1.0363
144	P	A	-1.0554
145	M	A	0.0000
146	H	A	-0.9609
147	I	A	-0.9341
148	R	A	-2.0564
149	L	A	-0.9327
150	S	A	-0.6785
151	F	A	0.0000
152	N	A	-1.8424
153	P	A	-1.8507
154	T	A	-1.6006
155	Q	A	-1.5809
156	L	A	0.0000
157	E	A	-3.1829
158	E	A	-2.7998
159	Q	A	-2.1912
160	C	A	0.0000
161	H	A	0.0000
162	I	A	0.6864