Project name: query_structure

Chain sequence(s)	A: EVQLVESGGGLVQAGDSLRLSCTASWFRQAPGKEREFVARFSISADSAKNTVYLQMNSLKPEDTAVYYCAAGQGTQVTVSSGRTFSRAVMGAISAAPGTAYYAFYADSVRGDLKMQVAAYMNQRSVDYW
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)

• Minimal score value: -4.1131
• Maximal score value: 1.6798
• Average score: -0.6808
• Total score value: -87.8279

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	-1.2640
2	V	A	0.4116
3	Q	A	-0.2587
4	L	A	0.4136
5	V	A	1.4641
6	E	A	0.2554
7	S	A	-0.2416
8	G	A	-0.8441
9	G	A	-0.9248
10	G	A	-0.2268
11	L	A	0.3609
12	V	A	-0.6023
13	Q	A	-1.4504
14	A	A	-2.2330
15	G	A	-2.0166
16	D	A	-2.3060
17	S	A	-2.1999
18	L	A	-1.8719
19	R	A	-2.4401
20	L	A	0.0000
21	S	A	-0.2055
22	C	A	0.0000
23	T	A	0.0725
24	A	A	-0.1386
25	S	A	0.3140
26	W	A	0.0000
27	F	A	-0.2725
28	R	A	-1.4593
29	Q	A	-2.5027
30	A	A	-2.4525
31	P	A	-1.7277
32	G	A	-2.0597
33	K	A	-3.7537
34	E	A	-4.1131
35	R	A	-3.7095
36	E	A	-2.6513
37	F	A	0.0363
38	V	A	0.3540
39	A	A	0.2877
40	R	A	-0.2462
41	F	A	1.3815
42	S	A	1.0447
43	I	A	1.2010
44	S	A	0.1513
45	A	A	-0.8622
46	D	A	-2.0779
47	S	A	-1.7010
48	A	A	-1.4907
49	K	A	-2.3892
50	N	A	-1.8165
51	T	A	-0.6715
52	V	A	0.2206
53	Y	A	0.1299
54	L	A	0.0000
55	Q	A	-1.7788
56	M	A	-2.0369
57	N	A	-2.5198
58	S	A	-2.0037
59	L	A	0.0000
60	K	A	-3.1665
61	P	A	-2.1584
62	E	A	-2.7517
63	D	A	-2.0585
64	T	A	-1.2905
65	A	A	0.0000
66	V	A	-0.5009
67	Y	A	0.0000
68	Y	A	-0.2078
69	C	A	0.0000
70	A	A	0.1999
71	A	A	-0.0359
72	G	A	-0.9209
73	Q	A	-0.6060
74	G	A	-0.2879
75	T	A	-0.2194
76	Q	A	-0.3819
77	V	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	S	A	-1.1800
81	S	A	-1.5468
82	G	A	-1.3467
83	R	A	-1.9581
84	T	A	-0.9092
85	F	A	-0.3412
86	S	A	-0.8514
87	R	A	-1.4829
88	A	A	0.0551
89	V	A	1.0775
90	M	A	1.5705
91	G	A	1.2450
92	A	A	1.1289
93	I	A	1.5364
94	S	A	0.4492
95	A	A	0.2390
96	A	A	-0.0544
97	P	A	-0.4733
98	G	A	-0.9369
99	T	A	-0.3783
100	A	A	0.4157
101	Y	A	1.1923
102	Y	A	1.6798
103	A	A	0.0000
104	F	A	0.8509
105	Y	A	0.0725
106	A	A	-0.6849
107	D	A	-2.1032
108	S	A	-1.6814
109	V	A	-0.2084
110	R	A	-1.8245
111	G	A	-1.9054
112	D	A	-2.1726
113	L	A	-0.8516
114	K	A	-1.7993
115	M	A	-1.0935
116	Q	A	-1.3296
117	V	A	0.0000
118	A	A	0.4635
119	A	A	0.8701
120	Y	A	1.2952
121	M	A	0.5949
122	N	A	-0.7780
123	Q	A	-1.8973
124	R	A	-2.6392
125	S	A	-1.5438
126	V	A	-0.4105
127	D	A	-0.9076
128	Y	A	1.1125
129	W	A	1.4211