Project name: vpooniaji

Chain sequence(s)	A: KGFVVEEMMRFVVAMRLHTRDDQQAREEGEEKKEEVVKKQQPPEEEEKAVTTKWDPSVEGYLKFLVDSKLVYDTLEKIVQEAPHPSYAEFRNTGLERSSASSLAEDLEWFKEQGGYTIPEPSSSPGLTYAQYLKELLSVKDPQAFIICHFYNIYFAHSAGGRMMIGKKVAEKLLNNKALEFYKWDDDLPRLLQNNVRDKLNKVVAEPWSRREEKDHCLEETEKSFKLSSGEILRLILS
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                                          (00:04:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:37)

• Minimal score value: -4.5697
• Maximal score value: 0.9576
• Average score: -1.3249
• Total score value: -276.9132

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
16	K	A	-2.3808
17	G	A	-2.4428
18	F	A	0.0000
20	E	A	-2.1241
21	E	A	-1.0490
22	M	A	0.0000
23	R	A	-0.6203
24	F	A	0.6311
25	V	A	0.0000
26	A	A	0.0000
27	M	A	-1.4185
28	R	A	-2.3455
29	L	A	-1.6287
30	H	A	-2.5574
31	T	A	0.0000
32	R	A	-4.5697
33	D	A	-2.8080
34	Q	A	-2.4475
35	A	A	-2.9766
36	R	A	-3.7880
37	E	A	-3.7922
39	E	A	-4.4334
40	K	A	-4.0081
41	E	A	-3.5203
42	V	A	-2.2085
43	K	A	-2.4181
44	Q	A	-1.8739
45	P	A	-1.3225
46	E	A	0.0000
47	E	A	-1.9079
48	K	A	-1.9917
49	A	A	-1.2855
50	V	A	0.0000
51	T	A	-1.4619
52	K	A	-2.3705
53	W	A	0.0000
54	D	A	-2.2594
55	P	A	-1.4674
56	S	A	-0.9587
57	V	A	-0.6870
58	E	A	-1.7670
59	G	A	0.0000
60	Y	A	0.0000
61	L	A	0.0000
62	K	A	-1.3973
63	F	A	0.0000
64	L	A	0.0000
65	V	A	0.0000
66	D	A	0.0000
67	S	A	-0.0698
68	K	A	-0.3039
69	L	A	0.2279
70	V	A	0.0000
71	Y	A	0.0000
72	D	A	-1.0650
73	T	A	0.0000
74	L	A	0.0000
75	E	A	-2.3152
76	K	A	-3.1257
77	I	A	0.0000
78	V	A	0.0000
79	Q	A	-3.3584
80	E	A	-3.1017
81	A	A	-1.9114
82	P	A	-0.7361
83	H	A	-0.6410
84	P	A	-1.1421
85	S	A	-1.1038
86	Y	A	0.0000
87	A	A	-2.0612
88	E	A	-2.7276
89	F	A	0.0000
90	R	A	-2.7771
91	N	A	-2.2817
92	T	A	-1.5418
93	G	A	-1.6785
94	L	A	0.0000
95	E	A	-0.9853
96	R	A	0.0000
97	S	A	-0.5802
98	A	A	-0.7472
99	S	A	0.0000
100	L	A	0.0000
101	A	A	-1.4380
102	E	A	-2.7512
103	D	A	0.0000
104	L	A	-2.0053
105	E	A	-3.3935
106	W	A	-2.5423
107	F	A	0.0000
108	K	A	-3.4848
109	E	A	-3.4895
110	Q	A	-2.5783
111	G	A	-1.8895
112	Y	A	-1.1946
113	T	A	-0.8882
114	I	A	-0.9003
115	P	A	-1.1187
116	E	A	-1.9346
117	P	A	-0.7930
118	S	A	-0.4297
119	S	A	-0.1405
120	P	A	-0.3398
121	G	A	0.0000
122	L	A	0.9576
123	T	A	0.0878
124	Y	A	0.0000
125	A	A	0.0000
126	Q	A	-1.4733
127	Y	A	-1.0043
128	L	A	0.0000
129	K	A	-2.1098
130	E	A	-2.3641
131	L	A	0.0000
132	S	A	0.0000
133	V	A	0.0390
134	K	A	-1.5786
135	D	A	-1.1149
136	P	A	-0.5003
137	Q	A	-1.3186
138	A	A	0.0000
139	F	A	0.0000
140	I	A	0.0000
141	C	A	0.0000
142	H	A	0.0000
143	F	A	0.0000
144	Y	A	0.0000
145	N	A	0.0000
146	I	A	0.0000
147	Y	A	0.0000
148	F	A	0.0000
149	A	A	-0.1219
150	H	A	0.0000
151	S	A	-0.4100
152	A	A	-0.2661
153	G	A	-0.5800
154	G	A	-0.6440
155	R	A	-1.5661
156	M	A	-0.8140
157	I	A	-0.9039
158	G	A	0.0000
159	K	A	-2.8031
160	K	A	-2.5564
161	V	A	0.0000
162	A	A	0.0000
163	E	A	-3.5904
164	K	A	-2.5742
165	L	A	-1.3414
166	L	A	0.0000
167	N	A	-2.5445
168	N	A	-3.0648
169	K	A	-2.1790
170	A	A	-1.6852
171	L	A	0.0000
172	E	A	-2.0710
173	F	A	0.0000
174	Y	A	-1.3934
175	K	A	-2.5135
176	W	A	-2.3771
177	D	A	-3.0948
178	D	A	-3.5676
179	D	A	-2.8409
180	L	A	-2.0835
181	P	A	-1.8359
182	R	A	-2.9930
183	L	A	-2.2021
184	L	A	-1.6302
185	Q	A	-2.3591
186	N	A	-2.7196
187	V	A	0.0000
188	R	A	-2.5621
189	D	A	-2.6425
190	K	A	-2.9110
191	L	A	0.0000
192	N	A	-2.9929
193	K	A	-3.2196
194	V	A	-2.0039
195	A	A	0.0000
196	E	A	-3.0224
197	P	A	-1.6437
198	W	A	-1.8078
199	S	A	-2.1877
200	R	A	-3.1888
201	E	A	-3.4920
202	E	A	-2.9990
203	K	A	-2.8816
204	D	A	-3.2855
205	H	A	-2.9733
206	C	A	0.0000
207	L	A	-1.7466
208	E	A	-2.7991
209	E	A	-1.8548
210	T	A	0.0000
211	E	A	-1.9159
212	K	A	-2.1480
213	S	A	0.0000
214	F	A	-1.1685
215	K	A	-2.2812
216	L	A	-1.2890
217	S	A	-1.0221
218	G	A	-1.3594
219	E	A	-1.6769
220	I	A	0.0000
221	L	A	-0.6720
222	R	A	-1.0221
223	L	A	0.0000
224	I	A	0.0000
225	L	A	-0.6640
226	S	A	-0.7779