Project name: query_structure

Chain sequence(s)	A: MAQVQFVESGGGTVQDGDFLRLSCTASGDTFSNYHAGWFRQPPGREREFVAAISWTGEGTLYADSVKGQFTISRDNAKNAMYLQMNRLKPEDTAVYYCAAARSVGFTWRSSKSNDYAYWGQGTQVTV
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                                          (00:01:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:13)

• Minimal score value: -3.4392
• Maximal score value: 1.2408
• Average score: -0.8102
• Total score value: -102.8914

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	0.8400
2	A	A	-0.0855
3	Q	A	-0.9320
4	V	A	-0.3687
5	Q	A	-0.5732
6	F	A	0.0000
7	V	A	1.2408
8	E	A	0.0278
9	S	A	-0.4792
10	G	A	-1.1957
11	G	A	-1.1835
12	G	A	-0.7736
13	T	A	-0.6261
14	V	A	-0.5722
15	Q	A	-2.1313
16	D	A	-3.1706
17	G	A	-2.2082
18	D	A	-1.1827
19	F	A	0.2184
20	L	A	-0.4381
21	R	A	-1.6579
22	L	A	0.0000
23	S	A	-0.4365
24	C	A	0.0000
25	T	A	-0.1192
26	A	A	0.0000
27	S	A	-0.7844
28	G	A	-1.5977
29	D	A	-2.5340
30	T	A	0.0000
31	F	A	0.0000
32	S	A	-1.6614
33	N	A	-1.7189
34	Y	A	-0.9132
35	H	A	0.0000
36	A	A	0.0000
37	G	A	0.0000
38	W	A	0.0000
39	F	A	0.0000
40	R	A	0.0000
41	Q	A	-1.9697
42	P	A	0.0000
43	P	A	-1.6570
44	G	A	-2.0100
45	R	A	-3.3834
46	E	A	-3.4392
47	R	A	-2.4895
48	E	A	-1.8137
49	F	A	-0.9407
50	V	A	0.0000
51	A	A	0.0000
52	A	A	0.0000
53	I	A	0.0000
54	S	A	0.0000
55	W	A	-0.6183
56	T	A	-0.9139
57	G	A	-1.2253
58	E	A	-1.8839
59	G	A	0.0000
60	T	A	-0.5303
61	L	A	-0.4330
62	Y	A	-0.8770
63	A	A	-1.2889
64	D	A	-2.4028
65	S	A	-1.5887
66	V	A	0.0000
67	K	A	-2.5345
68	G	A	-1.8574
69	Q	A	-1.3555
70	F	A	0.0000
71	T	A	-0.7742
72	I	A	0.0000
73	S	A	-0.6841
74	R	A	-1.1784
75	D	A	-1.7514
76	N	A	-2.1707
77	A	A	-1.6743
78	K	A	-2.4734
79	N	A	-2.0370
80	A	A	0.0000
81	M	A	0.0000
82	Y	A	-0.6596
83	L	A	0.0000
84	Q	A	-0.8103
85	M	A	0.0000
86	N	A	-1.1325
87	R	A	-2.5008
88	L	A	0.0000
89	K	A	-2.9796
90	P	A	-2.1765
91	E	A	-2.5079
92	D	A	0.0000
93	T	A	-1.0314
94	A	A	0.0000
95	V	A	-0.6504
96	Y	A	0.0000
97	Y	A	-0.2337
98	C	A	0.0000
99	A	A	0.0000
100	A	A	0.0000
101	A	A	0.0000
102	R	A	-1.2209
103	S	A	0.0026
104	V	A	1.2150
105	G	A	0.7153
106	F	A	0.9630
107	T	A	-0.0525
108	W	A	-0.2891
109	R	A	-1.6796
110	S	A	-1.3848
111	S	A	-1.5180
112	K	A	-2.5418
113	S	A	-1.7582
114	N	A	-1.9679
115	D	A	-1.3185
116	Y	A	0.0000
117	A	A	-0.3181
118	Y	A	0.3445
119	W	A	0.4325
120	G	A	-0.0400
121	Q	A	-0.8716
122	G	A	-0.6120
123	T	A	0.0000
124	Q	A	-1.3043
125	V	A	0.0000
126	T	A	-0.9038
127	V	A	-1.1275