Project name: testax

Chain sequence(s)	A: DIVMTQSPDSLAVSLGERATINCKSSQSVLYSSNSKNYLAWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQYYSTPYSFGQGTKLEIK
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -2.8248
• Maximal score value: 1.5007
• Average score: -0.6027
• Total score value: -68.1018

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	D	A	-1.3913
2	I	A	0.0000
3	V	A	1.1856
4	M	A	0.0000
5	T	A	-0.3574
6	Q	A	0.0000
7	S	A	-1.3139
8	P	A	-1.2717
9	D	A	-2.3484
10	S	A	-1.4736
11	L	A	-0.8839
12	A	A	-0.8718
13	V	A	0.0000
14	S	A	-1.2467
15	L	A	-0.5504
16	G	A	-1.4799
17	E	A	-2.7132
18	R	A	-2.8248
19	A	A	0.0000
20	T	A	-0.6214
21	I	A	0.0000
22	N	A	-1.2422
23	C	A	0.0000
24	K	A	-1.5989
25	S	A	0.0000
26	S	A	-0.7773
27	Q	A	-1.3556
27A	S	A	-0.6958
27B	V	A	0.0000
27C	L	A	0.3745
27D	Y	A	0.4308
27E	S	A	-0.2813
27F	S	A	-0.6907
28	N	A	-1.2907
29	S	A	-0.8057
30	K	A	-0.7574
31	N	A	0.0000
32	Y	A	0.7242
33	L	A	0.0000
34	A	A	0.0000
35	W	A	0.0000
36	Y	A	0.0440
37	Q	A	0.0000
38	Q	A	-1.3050
39	K	A	-1.8072
40	P	A	-1.1337
41	G	A	-1.4075
42	Q	A	-2.0339
43	P	A	-1.4447
44	P	A	-1.2334
45	K	A	-1.4538
46	L	A	-0.2722
47	L	A	0.0000
48	I	A	0.0000
49	Y	A	0.2420
50	W	A	0.2007
51	A	A	0.0000
52	S	A	-0.4193
53	T	A	-0.4033
54	R	A	-1.2229
55	E	A	-1.1211
56	S	A	-0.8249
57	G	A	-0.9777
58	V	A	-0.9207
59	P	A	-1.3173
60	D	A	-2.1226
61	R	A	-1.4616
62	F	A	0.0000
63	S	A	-0.8313
64	G	A	-0.5676
65	S	A	-0.6533
66	G	A	-1.1064
67	S	A	-0.9417
68	G	A	-0.7919
69	T	A	-1.4602
70	D	A	-2.2555
71	F	A	0.0000
72	T	A	-0.8525
73	L	A	0.0000
74	T	A	-0.8148
75	I	A	0.0000
76	S	A	-1.8076
77	S	A	-1.5526
78	L	A	0.0000
79	Q	A	-1.4953
80	A	A	-1.0564
81	E	A	-2.0058
82	D	A	0.0000
83	V	A	-1.0205
84	A	A	0.0000
85	V	A	-0.7671
86	Y	A	0.0000
87	Y	A	0.0554
88	C	A	0.0000
89	Q	A	0.9291
90	Q	A	0.0000
91	Y	A	1.1308
92	Y	A	0.7414
93	S	A	0.1059
94	T	A	-0.0156
95	P	A	0.1335
96	Y	A	1.4908
97	S	A	1.1277
98	F	A	1.5007
99	G	A	0.1698
100	Q	A	-1.3157
101	G	A	0.0000
102	T	A	0.0000
103	K	A	-1.6822
104	L	A	0.0000
105	E	A	-1.4173
106	I	A	-0.9642
107	K	A	-1.5864