Project name: query_structure

Chain sequence(s)	A: EVQLVESGGGLVQPGGSLRLSCAASGFTFSTYSMSWVRLAPGKALEWVSVINSGGDATYYADSVKGRFTISRDNAKNMLYLQMNSLKPVDTAMYYCVTGLYMSTGPVVAVPFGYWGQGTQVTVSS
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)

• Minimal score value: -2.4853
• Maximal score value: 2.8823
• Average score: -0.2699
• Total score value: -33.7326

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	-2.0705
2	V	A	-1.0251
3	Q	A	-0.9874
4	L	A	0.0000
5	V	A	1.0020
6	E	A	0.0000
7	S	A	-0.6294
8	G	A	-1.0539
9	G	A	-0.8580
10	G	A	-0.1012
11	L	A	0.9126
12	V	A	0.0000
13	Q	A	-1.4144
14	P	A	-1.2651
15	G	A	-1.4754
16	G	A	-1.0167
17	S	A	-1.4500
18	L	A	-1.1094
19	R	A	-2.3010
20	L	A	0.0000
21	S	A	-0.3766
22	C	A	0.0000
23	A	A	-0.0256
24	A	A	0.0000
25	S	A	-0.7932
26	G	A	-1.2089
27	F	A	-0.4165
28	T	A	-0.1688
29	F	A	0.0000
30	S	A	-0.5428
31	T	A	0.0958
32	Y	A	0.5303
33	S	A	0.0000
34	M	A	0.0000
35	S	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	L	A	0.3850
40	A	A	-0.1560
41	P	A	-0.5340
42	G	A	-1.2078
43	K	A	-1.6587
44	A	A	-0.2875
45	L	A	0.8072
46	E	A	0.1569
47	W	A	0.3525
48	V	A	0.0000
49	S	A	0.0000
50	V	A	0.0000
51	I	A	0.0000
52	N	A	-0.3885
53	S	A	-0.5102
54	G	A	-1.3822
55	G	A	-1.6190
56	D	A	-2.1208
57	A	A	-0.8538
58	T	A	-0.0086
59	Y	A	0.5990
60	Y	A	-0.3793
61	A	A	0.0000
62	D	A	-2.2833
63	S	A	-1.3617
64	V	A	0.0000
65	K	A	-2.4853
66	G	A	-1.8618
67	R	A	-1.6012
68	F	A	0.0000
69	T	A	-0.9361
70	I	A	0.0000
71	S	A	-0.5894
72	R	A	-1.1666
73	D	A	-1.4828
74	N	A	-1.6963
75	A	A	-1.3586
76	K	A	-2.1791
77	N	A	-1.5775
78	M	A	-0.7958
79	L	A	0.0000
80	Y	A	-0.5842
81	L	A	0.0000
82	Q	A	-1.6129
83	M	A	0.0000
84	N	A	-1.9669
85	S	A	-1.4115
86	L	A	0.0000
87	K	A	-1.1683
88	P	A	-0.2411
89	V	A	1.2188
90	D	A	0.0000
91	T	A	0.3149
92	A	A	0.0000
93	M	A	-0.0278
94	Y	A	0.0000
95	Y	A	0.3196
96	C	A	0.0000
97	V	A	0.0000
98	T	A	0.0000
99	G	A	1.0633
100	L	A	1.5663
101	Y	A	2.0949
102	M	A	1.5278
103	S	A	0.6678
104	T	A	0.0773
105	G	A	0.1648
106	P	A	0.8829
107	V	A	2.6960
108	V	A	2.8823
109	A	A	1.8393
110	V	A	1.9603
111	P	A	0.8521
112	F	A	1.2963
113	G	A	0.8537
114	Y	A	0.8357
115	W	A	0.8088
116	G	A	0.1222
117	Q	A	-0.8458
118	G	A	0.0000
119	T	A	0.0000
120	Q	A	-1.0744
121	V	A	0.0000
122	T	A	0.0446
123	V	A	0.0000
124	S	A	-0.4133
125	S	A	-0.5456