Project name: 519e9555c9f34ba

Chain sequence(s)	A: KIPGVKPIRLFFGQQRRDVYPSALRRLLRFIAPDLVITHMEAHVNEATGRGKGCAWVIVPSVLEAKRLLRLSGRIFLDINSNGEEVYLFAPPNCREWLSEYADYVVSSTTRASHLPYLPMVVGVPKKECIYVRELLAPYIYDPNRGDCPPYADAVSEFKGLLEDHAS
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                                          (00:02:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:17)

• Minimal score value: -3.6037
• Maximal score value: 1.5159
• Average score: -0.6642
• Total score value: -110.9281

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	K	A	-0.4293
2	I	A	1.3919
3	P	A	1.1856
4	G	A	0.7494
5	V	A	1.0544
6	K	A	-0.8254
7	P	A	-0.8235
8	I	A	0.0000
9	R	A	-0.8974
10	L	A	0.0000
11	F	A	0.4238
12	F	A	0.0000
13	G	A	0.0000
14	Q	A	-0.1876
15	Q	A	0.0000
16	R	A	-1.7064
17	R	A	-2.7837
18	D	A	-1.4399
19	V	A	-0.6122
20	Y	A	0.4156
21	P	A	-0.6929
22	S	A	-1.3838
23	A	A	-1.6384
24	L	A	0.0000
25	R	A	-2.8120
26	R	A	-2.2700
27	L	A	0.0000
28	L	A	0.0000
29	R	A	-1.7454
30	F	A	0.4691
31	I	A	0.3922
32	A	A	-0.4663
33	P	A	-0.9635
34	D	A	-1.4874
35	L	A	0.0000
36	V	A	1.2367
37	I	A	0.2219
38	T	A	0.0343
39	H	A	-1.2625
40	M	A	0.0000
41	E	A	-1.5855
42	A	A	0.0000
43	H	A	-1.3372
44	V	A	-1.5754
45	N	A	-2.0896
46	E	A	-2.4522
47	A	A	-1.2600
48	T	A	-1.4555
49	G	A	-1.9046
50	R	A	-2.7599
51	G	A	0.0000
52	K	A	-2.7251
53	G	A	0.0000
54	C	A	-0.8473
55	A	A	0.0000
56	W	A	-0.5664
57	V	A	0.0000
58	I	A	-0.4908
59	V	A	0.0000
60	P	A	0.1961
61	S	A	0.5745
62	V	A	0.9540
63	L	A	1.5159
64	E	A	0.6719
65	A	A	0.0000
66	K	A	-0.1202
67	R	A	-0.5527
68	L	A	0.0000
69	L	A	0.0000
70	R	A	-1.1628
71	L	A	0.0000
72	S	A	0.0000
73	G	A	-0.2580
74	R	A	-0.4795
75	I	A	0.0000
76	F	A	0.0000
77	L	A	0.0000
78	D	A	0.0000
79	I	A	-0.1840
80	N	A	-1.1616
81	S	A	-1.0274
82	N	A	-1.7266
83	G	A	-1.2824
84	E	A	-1.4690
85	E	A	-0.9339
86	V	A	0.0000
87	Y	A	0.0000
88	L	A	0.0000
89	F	A	-0.2078
90	A	A	0.0000
91	P	A	-0.3465
92	P	A	-1.5739
93	N	A	-2.5389
94	C	A	0.0000
95	R	A	-2.1454
96	E	A	-2.8989
97	W	A	-1.7315
98	L	A	0.0000
99	S	A	-1.2028
100	E	A	-2.1997
101	Y	A	-0.8008
102	A	A	0.0000
103	D	A	-1.1992
104	Y	A	0.1388
105	V	A	0.0000
106	V	A	0.3742
107	S	A	-0.0847
108	S	A	-0.1794
109	T	A	0.0676
110	T	A	-0.2312
111	R	A	-0.0146
112	A	A	-0.1002
113	S	A	-0.6490
114	H	A	-1.4415
115	L	A	0.0000
116	P	A	0.0000
117	Y	A	1.3645
118	L	A	1.1191
119	P	A	0.0000
120	M	A	0.0000
121	V	A	0.7791
122	V	A	0.0000
123	G	A	-0.1368
124	V	A	0.0000
125	P	A	-1.4032
126	K	A	-2.3557
127	K	A	-2.3116
128	E	A	-1.3686
129	C	A	-0.0846
130	I	A	1.0338
131	Y	A	0.9336
132	V	A	0.0000
133	R	A	-0.9328
134	E	A	-1.2269
135	L	A	0.0230
136	L	A	0.0000
137	A	A	-0.3056
138	P	A	-0.1789
139	Y	A	0.0932
140	I	A	0.3186
141	Y	A	-0.4781
142	D	A	-2.0129
143	P	A	-2.4232
144	N	A	-3.1785
145	R	A	-3.6037
146	G	A	-3.0056
147	D	A	-3.0387
148	C	A	-1.4007
149	P	A	-0.4329
150	P	A	-0.3450
151	Y	A	0.6658
152	A	A	-0.4292
153	D	A	-1.5207
154	A	A	-0.6325
155	V	A	-0.5232
156	S	A	-1.2794
157	E	A	-2.2860
158	F	A	-1.1800
159	K	A	-2.1450
160	G	A	-1.6381
161	L	A	0.0000
162	L	A	-2.1623
163	E	A	-3.2086
164	D	A	-2.8620
165	H	A	-1.9925
166	A	A	-0.9619
167	S	A	-0.9001