Project name: query_structure

Chain sequence(s)	A: EVQLQASGGGLVQPRGSLRLSCAASGSIFSINAMGWYRQTPEKQRELVATISSSGSTKYGDSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNTQTAGLVADWGTSHYDYWGQGVQVTVS
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]                                                (00:00:01)
[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 A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:46)

• Minimal score value: -3.6966
• Maximal score value: 1.8075
• Average score: -0.8333
• Total score value: -102.4933

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	E	A	-1.9505
2	V	A	-1.2528
3	Q	A	-1.8900
4	L	A	0.0000
5	Q	A	-1.7013
6	A	A	-1.1413
7	S	A	-1.1080
8	G	A	-1.1054
9	G	A	-0.7749
10	G	A	-0.0394
11	L	A	1.0476
12	V	A	-0.1701
13	Q	A	-1.5695
14	P	A	-2.0831
15	R	A	-2.6733
16	G	A	-1.5718
17	S	A	-1.5947
18	L	A	-1.1245
19	R	A	-2.2633
20	L	A	0.0000
21	S	A	-0.8789
22	C	A	0.0000
23	A	A	-1.1999
24	A	A	0.0000
25	S	A	-1.2081
26	G	A	-0.5966
27	S	A	-0.1235
28	I	A	0.0000
29	F	A	1.1125
30	S	A	0.1501
31	I	A	0.0000
32	N	A	-1.3897
33	A	A	-0.8175
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.0581
38	R	A	0.0000
39	Q	A	-2.0761
40	T	A	0.0000
41	P	A	-1.9728
42	E	A	-3.1757
43	K	A	-3.6966
44	Q	A	-3.1830
45	R	A	-2.6164
46	E	A	-1.5769
47	L	A	-0.7427
48	V	A	0.0000
49	A	A	0.0000
50	T	A	-0.6220
51	I	A	0.0000
52	S	A	-1.0000
53	S	A	-0.6959
54	S	A	-0.8224
55	G	A	-1.1278
56	S	A	-0.9597
57	T	A	-1.1262
58	K	A	-2.0989
59	Y	A	-1.6364
60	G	A	-1.7194
61	D	A	-2.5898
62	S	A	-1.8154
63	V	A	0.0000
64	K	A	-2.8142
65	G	A	-1.7514
66	R	A	-1.4839
67	F	A	0.0000
68	T	A	-1.1398
69	I	A	0.0000
70	S	A	-0.6170
71	R	A	-0.9266
72	D	A	-1.4360
73	N	A	-1.3782
74	A	A	-1.2581
75	K	A	-2.3479
76	N	A	-1.4932
77	T	A	0.0000
78	V	A	0.0000
79	Y	A	-0.7146
80	L	A	0.0000
81	Q	A	-1.5740
82	M	A	0.0000
83	N	A	-1.6865
84	S	A	-1.8031
85	L	A	0.0000
86	K	A	-2.5318
87	P	A	-2.0125
88	E	A	-2.3030
89	D	A	0.0000
90	T	A	-0.9342
91	A	A	0.0000
92	V	A	-0.5751
93	Y	A	0.0000
94	Y	A	-0.3720
95	C	A	0.0000
96	N	A	0.0000
97	T	A	0.0000
98	Q	A	-1.5000
99	T	A	-0.8593
100	A	A	-0.3315
101	G	A	0.8058
102	L	A	1.8075
103	V	A	1.4545
104	A	A	0.4383
105	D	A	-0.6549
106	W	A	0.6674
107	G	A	0.1336
108	T	A	0.3071
109	S	A	-0.1118
110	H	A	-1.0810
111	Y	A	-0.5133
112	D	A	-1.4957
113	Y	A	-0.8096
114	W	A	-0.3993
115	G	A	-0.8524
116	Q	A	-1.4540
117	G	A	-0.8612
118	V	A	-0.8990
119	Q	A	-0.9863
120	V	A	0.0000
121	T	A	-0.2936
122	V	A	0.0000
123	S	A	-0.6214