Project name: e0e9c72769a90e9

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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:29)

• Minimal score value: -3.6726
• Maximal score value: 2.404
• Average score: -0.5173
• Total score value: -87.9437

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	-1.0671
2	I	A	0.4206
3	P	A	-0.2373
4	G	A	-0.5662
5	V	A	-0.4252
6	K	A	-1.7847
7	P	A	-1.2419
8	I	A	0.0000
9	R	A	-1.1190
10	L	A	0.0000
11	F	A	0.3465
12	F	A	0.0000
13	G	A	0.1331
14	Q	A	-0.0671
15	Q	A	0.0000
16	R	A	-1.0802
17	R	A	-2.1545
18	D	A	-0.5747
19	V	A	0.2077
20	Y	A	0.8908
21	P	A	-0.4731
22	S	A	-0.3907
23	A	A	0.0000
24	L	A	0.0000
25	R	A	-2.9130
26	R	A	-2.6363
27	L	A	0.0000
28	L	A	0.0000
29	R	A	-1.3638
30	F	A	0.3639
31	I	A	0.4776
32	A	A	0.0000
33	P	A	-0.7618
34	D	A	-1.3280
35	L	A	0.0000
36	V	A	1.1728
37	I	A	0.3989
38	T	A	0.0626
39	H	A	-1.2090
40	M	A	0.0000
41	E	A	-1.4825
42	A	A	-0.8458
43	H	A	-1.2318
44	V	A	-1.3276
45	N	A	-1.9148
46	E	A	-2.3646
47	A	A	-1.2293
48	T	A	-1.3827
49	G	A	-1.7026
50	R	A	-2.5590
51	G	A	0.0000
52	K	A	-2.3315
53	G	A	-1.6529
54	C	A	-0.5973
55	A	A	0.0000
56	W	A	-0.6226
57	V	A	0.0000
58	I	A	-0.3897
59	V	A	0.0000
60	P	A	-0.1354
61	S	A	0.0000
62	V	A	0.6247
63	L	A	1.1144
64	E	A	0.7057
65	A	A	0.0000
66	K	A	-0.0800
67	R	A	-0.7278
68	L	A	0.0000
69	L	A	0.0000
70	R	A	-1.1065
71	L	A	-0.3235
72	S	A	0.0000
73	G	A	-0.0786
74	R	A	-0.6063
75	I	A	0.0000
76	F	A	0.0000
77	L	A	0.0000
78	D	A	0.0000
79	I	A	-0.7159
80	N	A	-1.1354
81	S	A	-1.2085
82	N	A	-1.9318
83	G	A	-1.7055
84	E	A	-2.2402
85	E	A	-1.6739
86	V	A	0.0000
87	Y	A	0.0000
88	L	A	0.0000
89	F	A	-0.1967
90	A	A	0.0000
91	P	A	0.0000
92	P	A	-1.6010
93	N	A	-2.6174
94	C	A	0.0000
95	R	A	-1.7811
96	E	A	-2.3441
97	W	A	0.0000
98	L	A	0.0000
99	S	A	-1.2066
100	E	A	-2.0043
101	Y	A	-0.6332
102	A	A	0.0000
103	D	A	-1.3375
104	Y	A	0.1074
105	V	A	0.0000
106	V	A	0.2893
107	S	A	-0.1207
108	S	A	-0.1990
109	T	A	0.0419
110	T	A	-0.2355
111	R	A	-0.0553
112	A	A	-0.2759
113	S	A	-0.5025
114	H	A	-1.2884
115	L	A	0.0000
116	P	A	0.0000
117	Y	A	1.1516
118	L	A	0.8503
119	P	A	0.0000
120	M	A	0.0000
121	V	A	1.3387
122	V	A	0.0000
123	G	A	0.4875
124	V	A	-0.4292
125	P	A	0.0000
126	K	A	-2.2001
127	K	A	-2.1431
128	E	A	0.0000
129	C	A	0.8317
130	I	A	1.7964
131	Y	A	1.7783
132	V	A	0.0000
133	R	A	-0.2513
134	E	A	-0.8222
135	L	A	0.0167
136	L	A	0.0000
137	A	A	0.0433
138	P	A	-0.1570
139	Y	A	0.0959
140	I	A	0.5824
141	Y	A	-0.4439
142	D	A	-1.8351
143	P	A	-2.0931
144	N	A	-2.9883
145	R	A	-3.6726
146	G	A	-3.2494
147	D	A	-3.0405
148	C	A	-1.7766
149	P	A	-1.1566
150	P	A	-0.1760
151	Y	A	0.7742
152	A	A	-0.2060
153	D	A	-1.5199
154	A	A	0.0000
155	V	A	-0.0105
156	S	A	-1.1353
157	E	A	-2.4271
158	F	A	-1.1191
159	K	A	-1.6799
160	G	A	-0.5664
161	L	A	0.5433
162	L	A	-0.1383
163	E	A	-1.7388
164	D	A	0.0000
165	H	A	-1.5989
166	A	A	-0.4045
167	S	A	0.2592
168	L	A	1.9668
169	P	A	1.8546
170	V	A	2.4040