Project name: query_structure

Chain sequence(s)	A: MLPAPKNLVVSEVTEDSARLSWDDPWAFYESFLIQYQESEKVGEAIVLTVPGSERSYDLTGLKPGTEYTVSIYGVHNVYKDTNMRGLPLSAIFTTGGGGSGGGGSLAEAKVLANRELDKYGVSDYYKNLINAKTVEGVKALIDEILAALPGG
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                                          (00:01:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:43)

• Minimal score value: -3.5698
• Maximal score value: 1.8698
• Average score: -0.8578
• Total score value: -130.3842

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	1.1346
2	L	A	0.7055
3	P	A	0.3258
4	A	A	-0.1352
5	P	A	0.0000
6	K	A	-1.8587
7	N	A	-1.5832
8	L	A	-0.2742
9	V	A	1.1161
10	V	A	0.5989
11	S	A	-0.7193
12	E	A	-1.9323
13	V	A	-1.1621
14	T	A	-1.9400
15	E	A	-3.1797
16	D	A	-3.1026
17	S	A	-2.3055
18	A	A	0.0000
19	R	A	-1.6097
20	L	A	0.0000
21	S	A	-0.6924
22	W	A	0.0000
23	D	A	-1.9149
24	D	A	0.0000
25	P	A	-0.2914
26	W	A	0.6020
27	A	A	0.1973
28	F	A	0.2187
29	Y	A	0.0000
30	E	A	-1.9078
31	S	A	-1.3782
32	F	A	0.0000
33	L	A	0.3334
34	I	A	0.0000
35	Q	A	0.4855
36	Y	A	0.4444
37	Q	A	-0.7300
38	E	A	-1.7510
39	S	A	-1.4258
40	E	A	-2.6672
41	K	A	-2.3384
42	V	A	-0.1265
43	G	A	-1.1111
44	E	A	-1.5697
45	A	A	-0.2980
46	I	A	0.8961
47	V	A	1.5882
48	L	A	1.2280
49	T	A	0.3890
50	V	A	0.0000
51	P	A	-1.0680
52	G	A	-1.2108
53	S	A	-1.1497
54	E	A	-1.6884
55	R	A	-1.4047
56	S	A	-0.9814
57	Y	A	-0.9515
58	D	A	-1.9666
59	L	A	0.0000
60	T	A	-1.5903
61	G	A	-1.5826
62	L	A	0.0000
63	K	A	-3.1841
64	P	A	-2.9563
65	G	A	-2.2355
66	T	A	-2.3090
67	E	A	-1.8356
68	Y	A	0.0000
69	T	A	0.1156
70	V	A	0.0000
71	S	A	0.0000
72	I	A	0.0000
73	Y	A	0.0000
74	G	A	0.0000
75	V	A	0.0000
76	H	A	-1.5329
77	N	A	-2.1304
78	V	A	-0.9010
79	Y	A	-0.2307
80	K	A	-2.2167
81	D	A	-2.7627
82	T	A	-1.9789
83	N	A	-2.4778
84	M	A	-0.9847
85	R	A	-1.2759
86	G	A	0.0000
87	L	A	0.8807
88	P	A	0.0621
89	L	A	-0.0789
90	S	A	0.3727
91	A	A	1.1984
92	I	A	1.8698
93	F	A	0.0000
94	T	A	-0.8149
95	T	A	0.0000
96	G	A	-2.1319
97	G	A	-2.2729
98	G	A	-2.1208
99	G	A	-1.2924
100	S	A	-1.1155
101	G	A	-1.2452
102	G	A	-1.6883
103	G	A	-1.4741
104	G	A	-1.1110
105	S	A	-0.8099
106	L	A	-0.9297
107	A	A	-0.5554
108	E	A	-1.1583
109	A	A	0.0000
110	K	A	-1.0807
111	V	A	0.6370
112	L	A	0.0873
113	A	A	0.0000
114	N	A	-2.0122
115	R	A	-2.6072
116	E	A	-2.3591
117	L	A	0.0000
118	D	A	-3.5698
119	K	A	-2.8520
120	Y	A	-0.6561
121	G	A	-1.5260
122	V	A	0.0000
123	S	A	-0.7271
124	D	A	-1.4660
125	Y	A	0.7227
126	Y	A	0.9648
127	K	A	-0.7422
128	N	A	-0.8315
129	L	A	0.7202
130	I	A	0.0000
131	N	A	-1.5712
132	A	A	-1.7074
133	K	A	-2.2466
134	T	A	-1.8029
135	V	A	-1.7459
136	E	A	-2.4430
137	G	A	-1.8272
138	V	A	0.0000
139	K	A	-2.5448
140	A	A	-2.0246
141	L	A	-1.4858
142	I	A	0.0000
143	D	A	-2.7117
144	E	A	-2.4444
145	I	A	-0.8113
146	L	A	-0.5492
147	A	A	-0.8276
148	A	A	-0.4163
149	L	A	0.2704
150	P	A	-0.3043
151	G	A	-0.6425
152	G	A	-0.6025