Project name: a0e9176197bb08b

Chain sequence(s)	A: GVKPIRLFFGQQRRDVYPSALRRLLRFIAPDLVITHMEAHVNEATGRGKGCAWVIVPSVLEAKRLLRLSGRIFLDINSNGEEVYLFAPPNCREWLSEYADYVVSSTTRASHLPYLPMVVGVPKKECIYVRELLAPYIYDPNRGDCPPYADAVSEFKGLLEDHASLPV
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                                          (00:02:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:06)

• Minimal score value: -3.8244
• Maximal score value: 2.2114
• Average score: -0.5188
• Total score value: -86.6366

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	G	A	-0.0800
2	V	A	0.7046
3	K	A	-1.0061
4	P	A	-0.6266
5	I	A	0.0000
6	R	A	-0.5321
7	L	A	0.0000
8	F	A	1.0145
9	F	A	0.0000
10	G	A	0.4022
11	Q	A	0.0512
12	Q	A	-0.5573
13	R	A	-1.0198
14	R	A	-1.7920
15	D	A	-0.8956
16	V	A	0.0689
17	Y	A	0.5877
18	P	A	-0.6556
19	S	A	-0.9290
20	A	A	-1.6005
21	L	A	0.0000
22	R	A	-2.7430
23	R	A	-3.0213
24	L	A	0.0000
25	L	A	0.0000
26	R	A	-2.0149
27	F	A	0.2238
28	I	A	0.2894
29	A	A	-0.5489
30	P	A	-1.1197
31	D	A	-1.4670
32	L	A	0.0000
33	V	A	1.3562
34	I	A	0.5558
35	T	A	0.2334
36	H	A	-0.8115
37	M	A	-0.7130
38	E	A	-0.4316
39	A	A	-0.4022
40	H	A	-0.9901
41	V	A	-1.2752
42	N	A	-2.1344
43	E	A	-2.4741
44	A	A	-1.3022
45	T	A	-1.4860
46	G	A	-1.8909
47	R	A	-2.5253
48	G	A	0.0000
49	K	A	-2.0957
50	G	A	-1.4771
51	C	A	-0.3883
52	A	A	0.0000
53	W	A	-0.0334
54	V	A	0.0000
55	I	A	0.1672
56	V	A	0.0000
57	P	A	0.4561
58	S	A	0.8138
59	V	A	0.9642
60	L	A	1.5834
61	E	A	0.7197
62	A	A	0.0000
63	K	A	-0.1265
64	R	A	-0.7494
65	L	A	0.0000
66	L	A	0.0000
67	R	A	-1.6423
68	L	A	0.0000
69	S	A	0.0000
70	G	A	0.0000
71	R	A	-0.6534
72	I	A	0.0000
73	F	A	0.0000
74	L	A	0.0000
75	D	A	0.0000
76	I	A	-0.0080
77	N	A	-0.7339
78	S	A	-1.1021
79	N	A	-1.7925
80	G	A	-1.3647
81	E	A	-1.2752
82	E	A	-0.6766
83	V	A	0.0000
84	Y	A	0.0000
85	L	A	-0.2658
86	F	A	-0.3945
87	A	A	0.0000
88	P	A	-1.0007
89	P	A	-1.8451
90	N	A	-2.7265
91	C	A	0.0000
92	R	A	-2.6450
93	E	A	-3.5597
94	W	A	-1.7822
95	L	A	0.0000
96	S	A	-1.5372
97	E	A	-2.3080
98	Y	A	-0.8576
99	A	A	0.0000
100	D	A	-1.3109
101	Y	A	0.0978
102	V	A	0.0000
103	V	A	0.1598
104	S	A	-0.0997
105	S	A	-0.1638
106	T	A	0.1094
107	T	A	-0.1339
108	R	A	0.0000
109	A	A	-0.0827
110	S	A	-0.3683
111	H	A	-1.0280
112	L	A	0.0000
113	P	A	0.0000
114	Y	A	1.0200
115	L	A	0.8660
116	P	A	0.0000
117	M	A	0.0000
118	V	A	1.5411
119	V	A	0.0000
120	G	A	0.5105
121	V	A	-0.1608
122	P	A	0.0000
123	K	A	-2.1877
124	K	A	-2.1953
125	E	A	0.0000
126	C	A	0.5314
127	I	A	1.7441
128	Y	A	1.8277
129	V	A	0.7987
130	R	A	-0.2280
131	E	A	-0.7145
132	L	A	0.2521
133	L	A	0.0000
134	A	A	-0.0734
135	P	A	-0.1263
136	Y	A	-0.0102
137	I	A	0.6036
138	Y	A	-0.5243
139	D	A	-1.7750
140	P	A	-2.4450
141	N	A	-3.1484
142	R	A	-3.8244
143	G	A	-3.5638
144	D	A	-3.4694
145	C	A	-1.7092
146	P	A	-0.7330
147	P	A	-0.1665
148	Y	A	0.9669
149	A	A	-0.1675
150	D	A	-1.5371
151	A	A	0.0000
152	V	A	0.1343
153	S	A	-1.1425
154	E	A	-2.2853
155	F	A	-1.3229
156	K	A	-1.7943
157	G	A	-0.7783
158	L	A	0.0000
159	L	A	0.4382
160	E	A	0.0000
161	D	A	-2.2675
162	H	A	-1.5985
163	A	A	-0.4917
164	S	A	0.1160
165	L	A	1.6419
166	P	A	1.3158
167	V	A	2.2114