Project name: a9abb35f60f5

Chain sequence(s)	A: KIPGVKPIRLFFGQQRRDVYPSALRRLLRFIAPDLVITHMEAHVNEATGRGKGCAWVIVPSVLEAKRLLRLSGRIFLDINSNGEEVYLFAPPNCREWLSEYADYVVSSTTRASHLPYLPMVVGVPKKECIYVRELLAPYIYDPNRGDCPPYADAVSEFKGLLEDHASLPV
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                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:56)

• Minimal score value: -3.8135
• Maximal score value: 1.8431
• Average score: -0.5836
• Total score value: -99.2149

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	-1.1630
2	I	A	-0.1790
3	P	A	-0.4741
4	G	A	-0.5854
5	V	A	-0.3745
6	K	A	-1.5402
7	P	A	-0.9890
8	I	A	0.0000
9	R	A	-1.0080
10	L	A	0.0000
11	F	A	0.7939
12	F	A	0.0000
13	G	A	0.2285
14	Q	A	0.0770
15	Q	A	0.0000
16	R	A	0.0000
17	R	A	-1.4174
18	D	A	-0.4957
19	V	A	0.1543
20	Y	A	0.6101
21	P	A	-0.7313
22	S	A	-1.2207
23	A	A	-1.3260
24	L	A	0.0000
25	R	A	-2.8289
26	R	A	-2.6041
27	L	A	0.0000
28	L	A	0.0000
29	R	A	-1.9231
30	F	A	0.3531
31	I	A	0.3387
32	A	A	-0.5344
33	P	A	-1.1351
34	D	A	-1.5766
35	L	A	0.0000
36	V	A	0.6072
37	I	A	0.0012
38	T	A	-0.2837
39	H	A	-1.2818
40	M	A	0.0000
41	E	A	-1.7359
42	A	A	-0.6158
43	H	A	-1.1138
44	V	A	-1.0501
45	N	A	-1.8353
46	E	A	-2.2976
47	A	A	-1.1793
48	T	A	-1.2269
49	G	A	-1.5349
50	R	A	-1.7871
51	G	A	0.0000
52	K	A	-1.8651
53	G	A	-1.1922
54	C	A	-0.4752
55	A	A	0.0000
56	W	A	-0.5617
57	V	A	0.0000
58	I	A	-0.2697
59	V	A	0.0000
60	P	A	0.0000
61	S	A	0.4839
62	V	A	0.7692
63	L	A	1.5852
64	E	A	0.0000
65	A	A	0.0000
66	K	A	-0.0792
67	R	A	-0.5946
68	L	A	0.0000
69	L	A	0.0000
70	R	A	-1.2441
71	L	A	0.0000
72	S	A	0.0000
73	G	A	-0.5733
74	R	A	-0.7379
75	I	A	0.0000
76	F	A	0.0000
77	L	A	0.0000
78	D	A	0.0000
79	I	A	-0.3267
80	N	A	-0.9652
81	S	A	-1.2211
82	N	A	-1.9445
83	G	A	-1.5885
84	E	A	-1.7734
85	E	A	-0.9930
86	V	A	0.0000
87	Y	A	0.0000
88	L	A	0.0000
89	F	A	-0.7455
90	A	A	0.0000
91	P	A	-1.1879
92	P	A	-1.5670
93	N	A	-2.2251
94	C	A	0.0000
95	R	A	-2.6153
96	E	A	-3.5357
97	W	A	-1.9207
98	L	A	0.0000
99	S	A	-1.6052
100	E	A	-2.4070
101	Y	A	-0.8177
102	A	A	0.0000
103	D	A	-1.2606
104	Y	A	0.1926
105	V	A	0.0000
106	V	A	0.5363
107	S	A	0.0055
108	S	A	-0.1314
109	T	A	0.1012
110	T	A	-0.2358
111	R	A	0.1949
112	A	A	0.4619
113	S	A	0.1003
114	H	A	0.0000
115	L	A	0.0000
116	P	A	0.0000
117	Y	A	1.3039
118	L	A	0.6258
119	P	A	0.0000
120	M	A	0.0000
121	V	A	0.9360
122	V	A	0.0000
123	G	A	0.3244
124	V	A	-0.4671
125	P	A	-1.4282
126	K	A	-2.2935
127	K	A	-2.3287
128	E	A	-0.8812
129	C	A	0.4945
130	I	A	1.7153
131	Y	A	1.8431
132	V	A	0.9891
133	R	A	-0.3583
134	E	A	-0.7347
135	L	A	0.1624
136	L	A	0.0000
137	A	A	-0.2150
138	P	A	-0.1340
139	Y	A	0.1526
140	I	A	0.6240
141	Y	A	-0.5168
142	D	A	-2.0676
143	P	A	-2.6460
144	N	A	-3.3056
145	R	A	-3.8135
146	G	A	-3.4808
147	D	A	-3.3232
148	C	A	-1.3556
149	P	A	-0.4308
150	P	A	-0.1006
151	Y	A	0.3617
152	A	A	-0.2096
153	D	A	-1.5385
154	A	A	0.0000
155	V	A	-0.5439
156	S	A	-1.4752
157	E	A	-2.2663
158	F	A	0.0000
159	K	A	-2.0285
160	G	A	-1.0870
161	L	A	0.0000
162	L	A	0.4387
163	E	A	0.0000
164	D	A	-2.3000
165	H	A	-1.8553
166	A	A	-1.1232
167	S	A	-0.3880
168	L	A	0.3415
169	P	A	0.6696
170	V	A	1.6132