Project name: query_structure

Chain sequence(s)	A: EVQLQASGGGLAQAGGSLQLSCAAPGRPVRTYTMGWFRQAPGKEREFVAANNWRGTRYAGSVRGRFSISRDNSKNTVYLQMNSLKPEDTAVYYCACAVTADLLLSGNYFRGDDYDYWGQGTQVTVS
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                                          (00:02:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:57)

• Minimal score value: -3.3196
• Maximal score value: 1.4393
• Average score: -0.8413
• Total score value: -106.0084

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	-1.9851
2	V	A	-1.4395
3	Q	A	-1.6017
4	L	A	0.0000
5	Q	A	-1.3334
6	A	A	-1.0243
7	S	A	-1.0323
8	G	A	-0.7021
9	G	A	-0.6497
10	G	A	0.0583
11	L	A	0.9590
12	A	A	0.0000
13	Q	A	-1.3005
14	A	A	-1.4557
15	G	A	-1.3412
16	G	A	-1.1022
17	S	A	-1.0952
18	L	A	-0.6248
19	Q	A	-1.2794
20	L	A	0.0000
21	S	A	-0.6492
22	C	A	0.0000
23	A	A	-1.0002
24	A	A	0.0000
25	P	A	-1.2207
26	G	A	-1.0903
27	R	A	-0.9730
28	P	A	-1.5627
29	V	A	0.0000
30	R	A	-2.2609
31	T	A	-0.7929
32	Y	A	-0.1308
33	T	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-1.9580
40	A	A	-1.8606
41	P	A	-1.3156
42	G	A	-1.7896
43	K	A	-2.9332
44	E	A	-3.3196
45	R	A	-2.6187
46	E	A	-1.5570
47	F	A	-0.6678
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	N	A	0.0000
52	N	A	0.0000
53	W	A	-0.0770
54	R	A	-1.4401
55	G	A	-0.9648
56	T	A	-0.7224
57	R	A	-1.1670
58	Y	A	-0.9065
59	A	A	-0.8858
60	G	A	-1.2576
61	S	A	-1.1902
62	V	A	0.0000
63	R	A	-2.4395
64	G	A	-1.6877
65	R	A	-1.5544
66	F	A	0.0000
67	S	A	-0.9357
68	I	A	0.0000
69	S	A	-0.7874
70	R	A	-1.8566
71	D	A	-2.3902
72	N	A	-2.9914
73	S	A	-2.2116
74	K	A	-2.6299
75	N	A	-2.4133
76	T	A	0.0000
77	V	A	0.0000
78	Y	A	-0.5371
79	L	A	0.0000
80	Q	A	-0.8833
81	M	A	0.0000
82	N	A	-1.2764
83	S	A	-1.2029
84	L	A	0.0000
85	K	A	-2.3318
86	P	A	-1.9306
87	E	A	-2.3517
88	D	A	0.0000
89	T	A	-0.9719
90	A	A	0.0000
91	V	A	-0.6596
92	Y	A	0.0000
93	Y	A	-0.5299
94	C	A	0.0000
95	A	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	V	A	-0.0639
99	T	A	0.3011
100	A	A	0.0888
101	D	A	-0.9826
102	L	A	0.0000
103	L	A	1.4393
104	L	A	1.3915
105	S	A	-0.0894
106	G	A	-0.4398
107	N	A	-1.3675
108	Y	A	-1.0094
109	F	A	-0.9589
110	R	A	-2.0219
111	G	A	-1.9206
112	D	A	-2.6304
113	D	A	-2.3008
114	Y	A	0.0000
115	D	A	-1.8355
116	Y	A	-0.7572
117	W	A	-0.4353
118	G	A	0.0000
119	Q	A	-1.4126
120	G	A	-0.9747
121	T	A	0.0000
122	Q	A	-1.0501
123	V	A	0.0000
124	T	A	-0.3509
125	V	A	0.0000
126	S	A	-0.7927