Project name: query_structure

Chain sequence(s)	I: RLLGAPVPVDENDEGLQRALQFAMAEYNRASNDKYSSRVVRVISAKRQLVSGIKYILQVEIGRTTCPKSSGDLQSCEFHDEPEMAKYTTCTFVVYSIPWLNQIKLLESKCQ
Selected Chain(s)	I
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 I 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                                          (00:01:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:42)

• Minimal score value: -3.9064
• Maximal score value: 2.3021
• Average score: -0.7431
• Total score value: -82.4809

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
6	R	I	-0.7843
7	L	I	1.5105
8	L	I	2.1096
9	G	I	1.6116
10	A	I	1.1714
11	P	I	0.9750
12	V	I	1.3092
13	P	I	-0.5223
14	V	I	-1.4443
15	D	I	-3.3606
16	E	I	-3.9064
17	N	I	-3.5388
18	D	I	-3.4305
19	E	I	-3.6680
20	G	I	-2.4928
21	L	I	0.0000
22	Q	I	-3.2920
23	R	I	-3.0616
24	A	I	0.0000
25	L	I	0.0000
26	Q	I	-1.8847
27	F	I	-0.8559
28	A	I	0.0000
29	M	I	0.0000
30	A	I	-0.9470
31	E	I	-1.3524
32	Y	I	-1.0028
33	N	I	0.0000
34	R	I	-2.5830
35	A	I	-1.3469
36	S	I	-1.6677
37	N	I	-2.2284
38	D	I	-2.0698
39	K	I	-2.3628
40	Y	I	-0.8637
41	S	I	0.0000
42	S	I	0.0000
43	R	I	-0.6755
44	V	I	-0.2553
45	V	I	-0.0597
46	R	I	-1.4262
47	V	I	-0.4033
48	I	I	0.4033
49	S	I	-0.5668
50	A	I	-0.8325
51	K	I	-1.2624
52	R	I	-0.1847
53	Q	I	0.9995
54	L	I	2.3021
55	V	I	1.8438
56	S	I	0.7342
57	G	I	0.0000
58	I	I	1.0766
59	K	I	0.3835
60	Y	I	0.0000
61	I	I	-0.3342
62	L	I	0.0000
63	Q	I	-0.5827
64	V	I	0.0000
65	E	I	-0.5417
66	I	I	0.0000
67	G	I	0.0000
68	R	I	-1.1940
69	T	I	0.0000
70	T	I	-0.7807
71	C	I	-0.6073
72	P	I	-1.1136
73	K	I	-1.7648
74	S	I	-1.3783
75	S	I	-1.0757
76	G	I	-1.5878
77	D	I	-2.1843
78	L	I	-1.0163
79	Q	I	-1.2628
80	S	I	-1.1482
81	C	I	-1.1858
82	E	I	-2.0280
83	F	I	-1.3903
84	H	I	-2.1560
85	D	I	-3.1729
86	E	I	-3.4321
87	P	I	-2.6293
88	E	I	-3.0214
89	M	I	-1.7639
90	A	I	0.0000
91	K	I	-2.2076
92	Y	I	-0.4800
93	T	I	-0.3917
94	T	I	-0.6280
95	C	I	0.0000
96	T	I	-1.0460
97	F	I	0.0000
98	V	I	0.0000
99	V	I	0.0000
100	Y	I	0.5052
101	S	I	0.4167
102	I	I	0.6453
103	P	I	0.5058
104	W	I	1.2844
105	L	I	1.1729
106	N	I	-0.3989
107	Q	I	-0.3324
108	I	I	0.4566
109	K	I	-0.2131
110	L	I	0.2434
111	L	I	0.5355
112	E	I	-1.0958
113	S	I	-1.1749
114	K	I	-2.1933
115	C	I	-1.4245
116	Q	I	-1.4056