Project name: 399

Chain sequence(s)	A: PGVKPIRLFFGQQRRDVYPSALRRLLRFIAPDLVITHMEAHVNEATGRGKGCAWVIVPSVLEAKRLLRLSGRIFLDINSNGEEVYLFAPPNCREWLSEYADYVVSSTTRASHLPYLPMVVGVPKKECIYVRELLAPYIYDPNRGDCPPYADAVSEFKGLLEDHASLPV
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:17)

• Minimal score value: -2.9427
• Maximal score value: 1.6059
• Average score: -0.5415
• Total score value: -90.9667

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	P	A	0.5729
2	G	A	0.9158
3	V	A	1.4702
4	K	A	-0.1426
5	P	A	-0.3726
6	I	A	0.0000
7	R	A	-0.7538
8	L	A	0.0000
9	F	A	1.0152
10	F	A	0.0000
11	G	A	0.2984
12	Q	A	-0.1165
13	Q	A	-0.8784
14	R	A	-1.4363
15	R	A	-2.6310
16	D	A	-1.3398
17	V	A	-0.3747
18	Y	A	0.4509
19	P	A	-0.8338
20	S	A	-0.9770
21	A	A	0.0000
22	L	A	0.0000
23	R	A	-2.7798
24	R	A	-2.8756
25	L	A	0.0000
26	L	A	0.0000
27	R	A	-2.3738
28	F	A	-0.6364
29	I	A	-0.2185
30	A	A	-0.8797
31	P	A	-1.4020
32	D	A	-1.6405
33	L	A	0.0000
34	V	A	1.0874
35	I	A	0.4121
36	T	A	0.1341
37	H	A	-1.0931
38	M	A	-1.1917
39	E	A	-1.6477
40	A	A	-1.1326
41	H	A	-1.4549
42	V	A	-1.7130
43	N	A	-2.2323
44	E	A	-2.5273
45	A	A	-1.2952
46	T	A	-1.3487
47	G	A	-1.8962
48	R	A	-2.8654
49	G	A	0.0000
50	K	A	-2.9427
51	G	A	-2.1014
52	C	A	-0.8420
53	A	A	0.0000
54	W	A	-0.4381
55	V	A	0.0000
56	I	A	-0.0295
57	V	A	0.0000
58	P	A	0.5925
59	S	A	0.9690
60	V	A	0.7913
61	L	A	1.6059
62	E	A	0.4713
63	A	A	0.0000
64	K	A	-0.2833
65	R	A	-0.7190
66	L	A	0.0000
67	L	A	0.0000
68	R	A	-0.7807
69	L	A	0.0000
70	S	A	0.0000
71	G	A	0.1729
72	R	A	0.0000
73	I	A	0.0000
74	F	A	0.0000
75	L	A	0.0000
76	D	A	0.2158
77	I	A	-0.4577
78	N	A	-1.3560
79	S	A	-1.4095
80	N	A	-2.1820
81	G	A	-1.9124
82	E	A	-2.2554
83	E	A	-0.9948
84	V	A	-0.0747
85	Y	A	0.4785
86	L	A	0.5845
87	F	A	0.7365
88	A	A	0.0000
89	P	A	0.0000
90	P	A	0.0000
91	N	A	-1.1773
92	C	A	-0.6783
93	R	A	0.0000
94	E	A	-1.9638
95	W	A	-0.7613
96	L	A	0.0000
97	S	A	-1.0567
98	E	A	-1.8580
99	Y	A	-0.4192
100	A	A	0.0000
101	D	A	-1.0418
102	Y	A	0.3043
103	V	A	0.4494
104	V	A	0.4925
105	S	A	-0.0022
106	S	A	-0.0983
107	T	A	0.0603
108	T	A	-0.1846
109	R	A	-0.0272
110	A	A	-0.0949
111	S	A	-0.6009
112	H	A	-1.5919
113	L	A	0.0000
114	P	A	0.0000
115	Y	A	1.1618
116	L	A	0.9785
117	P	A	0.0000
118	M	A	0.0000
119	V	A	1.5778
120	V	A	0.0000
121	G	A	0.5778
122	V	A	-0.4240
123	P	A	0.0000
124	K	A	-2.2975
125	K	A	-2.3969
126	E	A	-1.0461
127	C	A	0.2934
128	I	A	1.4352
129	Y	A	1.5212
130	V	A	0.0000
131	R	A	-0.7719
132	E	A	-0.9818
133	L	A	-0.1016
134	L	A	0.0000
135	A	A	-0.3913
136	P	A	-0.4437
137	Y	A	-0.0099
138	I	A	0.5602
139	Y	A	-0.0334
140	D	A	-1.2180
141	P	A	-2.0613
142	N	A	-2.5500
143	R	A	-2.9353
144	G	A	-2.1527
145	D	A	-1.8024
146	C	A	-0.7926
147	P	A	-0.7087
148	P	A	-0.4767
149	Y	A	0.2635
150	A	A	-0.3197
151	D	A	-1.7042
152	A	A	0.0000
153	V	A	-0.3128
154	S	A	-1.0305
155	E	A	-1.1125
156	F	A	-0.3314
157	K	A	-1.7100
158	G	A	-1.5211
159	L	A	-0.7504
160	L	A	-0.3190
161	E	A	-2.3625
162	D	A	-2.5901
163	H	A	-1.0457
164	A	A	-0.4820
165	S	A	-0.1155
166	L	A	0.0000
167	P	A	-0.3705
168	V	A	-0.5476