Project name: c39bfd72fc68e39

Chain sequence(s)	A: RGVPHIVMVDAYKRYKGGSGGSGGSGGSGFRFDMMGDHDAEAIEGPGPGDQAIKYKETLNFPLLSGPGPGKTEISAELAADIDATFGPGPGPIKLPILMYHAIHVMAPEEEGPGPGTDGGYGHVAYVTDVAANGHIQVGPGPGQGQVDAIVSEQAKLTEENTRGPGPGCIRINYFRTDGNYDQKGPGPGAVTNGGGLRATIAKDQPVTKGSGHHHHHH
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                                          (00:03:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:04)

• Minimal score value: -3.7867
• Maximal score value: 0.4565
• Average score: -1.2033
• Total score value: -262.3227

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	R	A	-1.8579
2	G	A	-1.0199
3	V	A	0.1630
4	P	A	0.0369
5	H	A	-0.0356
6	I	A	0.2273
7	V	A	-0.0022
8	M	A	0.0000
9	V	A	0.0000
10	D	A	0.0000
11	A	A	0.0000
12	Y	A	-0.7971
13	K	A	-2.4202
14	R	A	-2.3362
15	Y	A	-1.8623
16	K	A	-2.6162
17	G	A	-2.2588
18	G	A	0.0000
19	S	A	-1.8788
20	G	A	-1.3628
21	G	A	-1.1817
22	S	A	-0.9119
23	G	A	-1.7437
24	G	A	-1.3670
25	S	A	-1.4482
26	G	A	-1.6496
27	G	A	-1.7690
28	S	A	-1.3918
29	G	A	-1.2972
30	F	A	0.0000
31	R	A	-1.6077
32	F	A	0.0000
33	D	A	-1.4542
34	M	A	-0.3550
35	M	A	-0.1869
36	G	A	-2.0232
37	D	A	-2.9418
38	H	A	-3.4677
39	D	A	-3.3847
40	A	A	-2.5446
41	E	A	-3.4231
42	A	A	-1.6832
43	I	A	-0.5064
44	E	A	-2.1969
45	G	A	-1.4789
46	P	A	-1.2138
47	G	A	-1.5293
48	P	A	-1.8642
49	G	A	-1.7374
50	D	A	-2.4968
51	Q	A	-2.2908
52	A	A	-1.6401
53	I	A	-1.8498
54	K	A	-2.5901
55	Y	A	-0.8780
56	K	A	-1.9602
57	E	A	-2.6295
58	T	A	-1.6412
59	L	A	0.0000
60	N	A	-1.8525
61	F	A	0.0000
62	P	A	-1.2059
63	L	A	0.0000
64	L	A	0.0000
65	S	A	-0.8496
66	G	A	-1.1003
67	P	A	-0.7784
68	G	A	-1.6690
69	P	A	-1.2751
70	G	A	-1.7331
71	K	A	-2.6030
72	T	A	-1.9914
73	E	A	-2.1059
74	I	A	0.0000
75	S	A	-1.0723
76	A	A	-1.2406
77	E	A	-2.6437
78	L	A	0.0000
79	A	A	-1.5417
80	A	A	-2.0448
81	D	A	-2.8632
82	I	A	0.0000
83	D	A	-2.5925
84	A	A	-1.6760
85	T	A	-1.4410
86	F	A	0.0000
87	G	A	-1.2707
88	P	A	-1.2657
89	G	A	-0.9832
90	P	A	-0.8952
91	G	A	-0.7502
92	P	A	-0.2302
93	I	A	0.4565
94	K	A	-0.5914
95	L	A	0.0000
96	P	A	-0.3666
97	I	A	0.0000
98	L	A	0.0000
99	M	A	0.0751
100	Y	A	0.0000
101	H	A	-0.2369
102	A	A	0.0000
103	I	A	0.0000
104	H	A	-0.1002
105	V	A	-0.0465
106	M	A	-0.8238
107	A	A	-1.4953
108	P	A	-2.1021
109	E	A	-3.2834
110	E	A	-3.7273
111	E	A	-3.5208
112	G	A	-2.6637
113	P	A	-1.5525
114	G	A	-1.6714
115	P	A	-1.1168
116	G	A	-1.2538
117	T	A	-1.3784
118	D	A	-2.1827
119	G	A	-1.2171
120	G	A	-1.3212
121	Y	A	0.1353
122	G	A	-0.8695
123	H	A	-0.7175
124	V	A	-0.4439
125	A	A	-0.3889
126	Y	A	-0.2970
127	V	A	0.0000
128	T	A	-0.1803
129	D	A	-0.5315
130	V	A	-0.0589
131	A	A	-0.2925
132	A	A	-0.5522
133	N	A	-1.4564
134	G	A	-1.2460
135	H	A	-0.9665
136	I	A	-0.4380
137	Q	A	-0.5943
138	V	A	0.0000
139	G	A	-0.3627
140	P	A	-0.8002
141	G	A	-0.9616
142	P	A	-0.9240
143	G	A	0.0000
144	Q	A	-1.8235
145	G	A	-1.4981
146	Q	A	-1.1214
147	V	A	0.0000
148	D	A	-2.4157
149	A	A	-1.5571
150	I	A	-1.5472
151	V	A	-1.6906
152	S	A	-1.8448
153	E	A	-2.7224
154	Q	A	-2.5923
155	A	A	0.0000
156	K	A	-2.9094
157	L	A	0.0000
158	T	A	-2.6868
159	E	A	-3.3125
160	E	A	-3.7867
161	N	A	-3.5190
162	T	A	-2.4858
163	R	A	-3.0759
164	G	A	-2.4929
165	P	A	-1.3245
166	G	A	-1.3679
167	P	A	-1.2716
168	G	A	-1.3281
169	C	A	-0.9339
170	I	A	0.0000
171	R	A	0.0000
172	I	A	0.0000
173	N	A	0.0000
174	Y	A	0.0000
175	F	A	-0.2027
176	R	A	-0.9746
177	T	A	-0.8726
178	D	A	-1.0157
179	G	A	0.0000
180	N	A	0.0000
181	Y	A	0.2217
182	D	A	-0.3647
183	Q	A	0.0000
184	K	A	0.0000
185	G	A	-0.7306
186	P	A	-0.5054
187	G	A	-0.7631
188	P	A	-0.6697
189	G	A	-1.0478
190	A	A	-1.0804
191	V	A	0.0000
192	T	A	-1.7064
193	N	A	-2.0893
194	G	A	-1.5069
195	G	A	-1.6582
196	G	A	-1.7433
197	L	A	0.0000
198	R	A	-2.6900
199	A	A	-0.8677
200	T	A	-0.2106
201	I	A	-0.0108
202	A	A	-0.6931
203	K	A	-1.5727
204	D	A	0.0000
205	Q	A	-2.1769
206	P	A	-1.5592
207	V	A	-1.2894
208	T	A	-2.0888
209	K	A	-2.3370
210	G	A	-1.6914
211	S	A	-1.4404
212	G	A	-1.8192
213	H	A	-2.0590
214	H	A	-2.2324
215	H	A	-1.9824
216	H	A	-1.9222
217	H	A	-1.6721
218	H	A	-1.8911