Project name: query_structure

Chain sequence(s)	C: MLPAPKNLVVSRVTEDSARLSWTAPDAAFDSFWITYEEKFYRGEAIVLTVPGSERSYDLTGLKPGTEYKVWIVGVKGGQGSWPLSAIFTTGGHH
Selected Chain(s)	C
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 C 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.                                          (00:01:12)

• Minimal score value: -3.405
• Maximal score value: 2.5326
• Average score: -0.6027
• Total score value: -56.6557

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	C	1.1110
2	L	C	0.5080
3	P	C	0.2012
4	A	C	0.1282
5	P	C	0.0000
6	K	C	-1.9776
7	N	C	-1.3932
8	L	C	0.0386
9	V	C	1.3027
10	V	C	0.7335
11	S	C	-0.5521
12	R	C	-2.0424
13	V	C	-0.8205
14	T	C	-1.8298
15	E	C	-3.4050
16	D	C	-2.8744
17	S	C	-2.2275
18	A	C	0.0000
19	R	C	-1.3994
20	L	C	0.0000
21	S	C	-0.4455
22	W	C	0.0000
23	T	C	-1.2750
24	A	C	0.0000
25	P	C	-1.2695
26	D	C	-1.8936
27	A	C	-1.3350
28	A	C	-1.1917
29	F	C	0.0000
30	D	C	-2.3752
31	S	C	-1.3319
32	F	C	0.0000
33	W	C	1.4591
34	I	C	0.0000
35	T	C	1.3573
36	Y	C	0.1785
37	E	C	-0.5849
38	E	C	-1.3582
39	K	C	-0.6628
40	F	C	1.1085
41	Y	C	0.1196
42	R	C	-1.7464
43	G	C	-1.5327
44	E	C	-1.7770
45	A	C	-0.6304
46	I	C	1.3116
47	V	C	2.5326
48	L	C	1.7577
49	T	C	0.7824
50	V	C	0.0000
51	P	C	-1.1465
52	G	C	-1.7552
53	S	C	-1.7690
54	E	C	-1.7437
55	R	C	-1.1407
56	S	C	-0.7725
57	Y	C	-0.9079
58	D	C	-1.9712
59	L	C	0.0000
60	T	C	-1.5283
61	G	C	-1.5554
62	L	C	0.0000
63	K	C	-3.1222
64	P	C	-2.9105
65	G	C	-2.1900
66	T	C	0.0000
67	E	C	-0.8154
68	Y	C	0.0000
69	K	C	-0.3404
70	V	C	0.0000
71	W	C	0.8357
72	I	C	0.0000
73	V	C	0.8204
74	G	C	0.0000
75	V	C	0.0000
76	K	C	-2.1336
77	G	C	-1.7964
78	G	C	-1.6738
79	Q	C	-1.4131
80	G	C	-0.3316
81	S	C	0.0000
82	W	C	1.3923
83	P	C	0.4930
84	L	C	0.0230
85	S	C	0.2806
86	A	C	1.1599
87	I	C	1.4845
88	F	C	0.0000
89	T	C	-0.5437
90	T	C	0.0000
91	G	C	-1.8723
92	G	C	-2.2720
93	H	C	-1.9858
94	H	C	-2.1527