Project name: 7bbd61b9c15a0f0

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

• Minimal score value: -3.8003
• Maximal score value: 1.8213
• Average score: -0.5746
• Total score value: -94.81

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	-1.8852
2	P	A	-1.2257
3	I	A	0.0000
4	R	A	-1.0297
5	L	A	0.0000
6	F	A	0.6614
7	F	A	0.0000
8	G	A	0.0000
9	Q	A	-0.2786
10	Q	A	-0.8916
11	R	A	-1.3726
12	R	A	-2.4989
13	D	A	-0.9967
14	V	A	0.3420
15	Y	A	0.9520
16	P	A	-0.0256
17	S	A	-0.1323
18	A	A	-0.4431
19	L	A	0.0000
20	R	A	-0.8034
21	R	A	-0.7366
22	L	A	0.0000
23	L	A	0.0000
24	R	A	-0.3221
25	F	A	0.5721
26	I	A	0.5577
27	A	A	-0.2076
28	P	A	-0.6834
29	D	A	-1.3622
30	L	A	0.0000
31	V	A	1.3295
32	I	A	0.6458
33	T	A	0.1439
34	H	A	-0.4788
35	M	A	0.0000
36	E	A	-0.9301
37	A	A	-0.6829
38	H	A	-1.1891
39	V	A	-1.4321
40	N	A	-2.0882
41	E	A	-2.5226
42	A	A	-1.2990
43	T	A	-1.3526
44	G	A	-1.7173
45	R	A	-2.7058
46	G	A	0.0000
47	K	A	-2.6833
48	G	A	-1.9370
49	C	A	-0.7822
50	A	A	0.0000
51	W	A	-0.3214
52	V	A	0.0000
53	I	A	-0.1252
54	V	A	0.0000
55	P	A	-0.0336
56	S	A	0.1744
57	V	A	0.5639
58	L	A	1.6523
59	E	A	0.0000
60	A	A	0.0000
61	K	A	-0.2896
62	R	A	-0.8597
63	L	A	0.0000
64	L	A	0.0000
65	R	A	-1.8434
66	L	A	0.0000
67	S	A	0.0000
68	G	A	-0.4563
69	R	A	-0.6715
70	I	A	0.0000
71	F	A	0.0000
72	L	A	0.0000
73	D	A	0.0000
74	I	A	-0.3017
75	N	A	-1.2301
76	S	A	-1.1734
77	N	A	-1.8874
78	G	A	-1.5311
79	E	A	-1.7521
80	E	A	-1.3981
81	V	A	0.0000
82	Y	A	-0.7856
83	L	A	0.0000
84	F	A	-0.0440
85	A	A	0.0000
86	P	A	-0.7184
87	P	A	-1.6247
88	N	A	-2.3804
89	C	A	0.0000
90	R	A	-2.3502
91	E	A	-3.3649
92	W	A	-1.6876
93	L	A	0.0000
94	S	A	-1.2492
95	E	A	-1.8709
96	Y	A	-0.5491
97	A	A	0.0000
98	D	A	-1.0422
99	Y	A	0.2073
100	V	A	0.4944
101	V	A	0.3666
102	S	A	0.0045
103	S	A	-0.0823
104	T	A	0.1767
105	T	A	-0.0995
106	R	A	0.0000
107	A	A	-0.1958
108	S	A	-0.5167
109	H	A	-1.4713
110	L	A	0.0000
111	P	A	0.0000
112	Y	A	1.1633
113	L	A	1.0521
114	P	A	0.0000
115	M	A	0.0000
116	V	A	0.5805
117	V	A	0.0000
118	G	A	0.1271
119	V	A	-0.4988
120	P	A	-1.4190
121	K	A	-2.3055
122	K	A	-2.3611
123	E	A	-0.9815
124	C	A	0.5925
125	I	A	1.5176
126	Y	A	1.6188
127	V	A	0.0000
128	R	A	-0.7375
129	E	A	-1.0252
130	L	A	-0.0556
131	L	A	0.0000
132	A	A	-0.4186
133	P	A	-0.4476
134	Y	A	-0.3150
135	I	A	0.3498
136	Y	A	-0.3192
137	D	A	-1.4756
138	P	A	-2.0789
139	N	A	-3.1562
140	R	A	-3.8003
141	G	A	-3.0614
142	D	A	-2.9418
143	C	A	-1.7253
144	P	A	-0.8940
145	P	A	-0.5312
146	Y	A	-0.1714
147	A	A	-0.8872
148	D	A	-1.7006
149	A	A	0.0000
150	V	A	-0.5466
151	S	A	-0.9918
152	E	A	-1.9325
153	F	A	-1.1581
154	K	A	-1.4689
155	G	A	-0.3763
156	L	A	0.3160
157	L	A	0.3960
158	E	A	-1.5450
159	D	A	-1.6022
160	H	A	-1.2160
161	A	A	-0.5291
162	S	A	0.0000
163	L	A	0.9519
164	P	A	1.1373
165	V	A	1.8213