Project name: query_structure

Chain sequence(s)	A: MKYLLPTAAAGLLLLAAQPAMAQLQLVESGGGLVQPGGSLRLSCAASGFTLDYYAIGWFRQAPGKEREGVSCISSSGGSTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAADYAGRGFCAGLYDYWSQGTPVTVSS
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                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:22)

• Minimal score value: -3.7633
• Maximal score value: 3.4484
• Average score: -0.3642
• Total score value: -52.816

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	0.4976
2	K	A	-0.0081
3	Y	A	1.8643
4	L	A	2.4500
5	L	A	2.3366
6	P	A	1.0013
7	T	A	0.4801
8	A	A	0.1439
9	A	A	0.1185
10	A	A	0.4722
11	G	A	0.9436
12	L	A	2.7330
13	L	A	3.3510
14	L	A	3.4484
15	L	A	2.8111
16	A	A	1.0959
17	A	A	0.0929
18	Q	A	-0.8926
19	P	A	-0.4651
20	A	A	-0.0920
21	M	A	0.5588
22	A	A	-0.0438
23	Q	A	-0.7179
24	L	A	0.2039
25	Q	A	-0.4229
26	L	A	0.0000
27	V	A	0.9646
28	E	A	-0.0012
29	S	A	-0.5312
30	G	A	-0.9759
31	G	A	-0.5143
32	G	A	0.2542
33	L	A	1.1427
34	V	A	-0.0543
35	Q	A	-1.3619
36	P	A	-1.6311
37	G	A	-1.4356
38	G	A	-0.9680
39	S	A	-1.2824
40	L	A	-0.9276
41	R	A	-2.1457
42	L	A	0.0000
43	S	A	-0.4812
44	C	A	0.0000
45	A	A	-0.1803
46	A	A	0.0000
47	S	A	-0.2630
48	G	A	-0.4092
49	F	A	-0.0610
50	T	A	-0.3128
51	L	A	0.0000
52	D	A	-0.5420
53	Y	A	1.0728
54	Y	A	0.9751
55	A	A	0.0000
56	I	A	0.0000
57	G	A	0.0000
58	W	A	0.0000
59	F	A	-0.6438
60	R	A	-1.2839
61	Q	A	-2.1558
62	A	A	-1.9959
63	P	A	-1.4689
64	G	A	-2.0273
65	K	A	-3.4553
66	E	A	-3.7633
67	R	A	-3.1410
68	E	A	-2.1255
69	G	A	-1.2699
70	V	A	0.0000
71	S	A	0.0000
72	C	A	0.0000
73	I	A	0.0000
74	S	A	0.0000
75	S	A	0.0824
76	S	A	-0.6531
77	G	A	-0.9343
78	G	A	-0.7505
79	S	A	-0.6056
80	T	A	-0.6544
81	N	A	-1.4285
82	Y	A	-1.4599
83	A	A	-1.6878
84	D	A	-2.6043
85	S	A	-1.8396
86	V	A	0.0000
87	K	A	-2.7810
88	G	A	-1.7955
89	R	A	-1.5333
90	F	A	0.0000
91	T	A	-1.0068
92	I	A	0.0000
93	S	A	-0.5134
94	R	A	-1.0128
95	D	A	-1.7317
96	N	A	-1.7584
97	A	A	-1.4860
98	K	A	-2.1944
99	N	A	-1.6361
100	T	A	0.0000
101	V	A	0.0000
102	Y	A	-0.6664
103	L	A	0.0000
104	Q	A	-1.2363
105	M	A	0.0000
106	N	A	-1.5143
107	S	A	-1.3224
108	L	A	0.0000
109	K	A	-2.5051
110	P	A	-1.9943
111	E	A	-2.3880
112	D	A	0.0000
113	T	A	-0.7892
114	A	A	0.0000
115	V	A	-0.1177
116	Y	A	0.0000
117	Y	A	-0.1337
118	C	A	0.0000
119	A	A	0.0000
120	A	A	0.0000
121	D	A	0.0000
122	Y	A	1.1826
123	A	A	0.5604
124	G	A	-0.4081
125	R	A	-0.7838
126	G	A	0.0277
127	F	A	1.1256
128	C	A	0.6060
129	A	A	0.5381
130	G	A	0.1927
131	L	A	1.0875
132	Y	A	0.0000
133	D	A	-0.9280
134	Y	A	0.1397
135	W	A	0.1603
136	S	A	-0.0635
137	Q	A	-0.8868
138	G	A	-0.3436
139	T	A	0.0000
140	P	A	-0.0619
141	V	A	0.0000
142	T	A	-0.0611
143	V	A	0.0000
144	S	A	-0.7058
145	S	A	-0.5024