Project name: query_structure

Chain sequence(s)	K: RKQVSDGVAHIHASFNNTIVTITDRQGNALGWATAGGSGFRGSRKSTPFAAQVAAERCADAVKEYGIKNLEVMVKGPGPGRESTIRALNAAGFRITNITDVTPIPHNGCRPPKKRRV
Selected Chain(s)	K
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 K 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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -3.8167
• Maximal score value: 1.5013
• Average score: -1.1064
• Total score value: -129.4482

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
13	R	K	-3.1308
14	K	K	-3.0849
15	Q	K	-2.8086
16	V	K	-1.2944
17	S	K	-1.5499
18	D	K	-1.7584
19	G	K	0.0000
20	V	K	0.0000
21	A	K	0.0000
22	H	K	-0.3794
23	I	K	0.0000
24	H	K	-1.0927
25	A	K	0.0000
26	S	K	-0.0357
27	F	K	1.0507
28	N	K	-0.9621
29	N	K	-0.8550
30	T	K	-0.3875
31	I	K	0.2379
32	V	K	0.0000
33	T	K	0.4481
34	I	K	0.0000
35	T	K	0.0000
36	D	K	0.0000
37	R	K	-2.9181
38	Q	K	-2.7336
39	G	K	-2.1206
40	N	K	-2.1125
41	A	K	-0.8272
42	L	K	-0.1551
43	G	K	0.0000
44	W	K	1.0101
45	A	K	-0.0458
46	T	K	-0.1659
47	A	K	0.0000
48	G	K	-1.1936
49	G	K	-0.8308
50	S	K	-0.9314
51	G	K	-1.0478
52	F	K	-1.4167
53	R	K	-2.6899
54	G	K	-2.0196
55	S	K	-1.4235
56	R	K	-1.6992
57	K	K	-1.5281
58	S	K	-0.7097
59	T	K	0.0059
60	P	K	0.1263
61	F	K	1.5013
62	A	K	0.0000
63	A	K	0.0000
64	Q	K	-0.9497
65	V	K	0.0000
66	A	K	0.0000
67	A	K	0.0000
68	E	K	-3.2040
69	R	K	-3.2389
70	C	K	0.0000
71	A	K	0.0000
72	D	K	-3.7241
73	A	K	-2.1739
74	V	K	0.0000
75	K	K	-3.6980
76	E	K	-3.6198
77	Y	K	-2.9236
78	G	K	-2.7037
79	I	K	0.0000
80	K	K	-2.8146
81	N	K	0.0000
82	L	K	0.0000
83	E	K	-1.7355
84	V	K	0.0000
85	M	K	-0.7425
86	V	K	0.0000
87	K	K	-1.5391
88	G	K	-0.7801
89	P	K	-0.5814
90	G	K	0.0000
91	P	K	-0.3449
92	G	K	-0.5336
93	R	K	-1.9820
94	E	K	-2.0314
95	S	K	-1.3589
96	T	K	0.0000
97	I	K	-1.6163
98	R	K	-2.6776
99	A	K	-1.8362
100	L	K	0.0000
101	N	K	-2.6283
102	A	K	-1.5933
103	A	K	-2.0823
104	G	K	-1.7516
105	F	K	0.0000
106	R	K	-2.9236
107	I	K	-2.0132
108	T	K	-1.5484
109	N	K	-1.3425
110	I	K	-0.2681
111	T	K	-0.8537
112	D	K	-1.5229
113	V	K	-0.2885
114	T	K	-0.3583
115	P	K	0.3317
116	I	K	1.3793
117	P	K	-0.2483
118	H	K	-1.3217
119	N	K	-1.9414
120	G	K	-1.3123
121	C	K	-1.0458
122	R	K	-2.2301
123	P	K	-1.9697
124	P	K	-2.2503
125	K	K	-3.6493
126	K	K	-3.8167
127	R	K	-3.5697
128	R	K	-2.5470
129	V	K	0.2558