Project name: KFDV_NS2A

Chain sequence(s)	A: NGAMLSEGGVPGIVAVFVVLELVIRRRPTTGTSVVWCGMVVLGLVVTGLVTIEGLCRYVVAVGILMSMELGPEIVALVLLQAVFDMRTGLLVAFAVKRAYTTREAVATYFLLLVLELGFPEASLSNIWKWADSLAMGALILQACGQEGRTRVGYLLAAMMTQKDMVIIHTGLTIFLSAATAMAVWSMIKGQRDQKGLSWATPLAGLLGGEGVGLRLLAFRKLAERRNRR
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                                          (00:04:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:47)

• Minimal score value: -4.8456
• Maximal score value: 3.1872
• Average score: 0.0758
• Total score value: 17.3592

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	N	A	-0.9723
2	G	A	-0.5182
3	A	A	-0.0366
4	M	A	0.6860
5	L	A	1.1469
6	S	A	-0.0599
7	E	A	-1.0532
8	G	A	-0.0912
9	G	A	0.9414
10	V	A	1.7189
11	P	A	0.8908
12	G	A	1.1989
13	I	A	2.3847
14	V	A	3.1410
15	A	A	2.0946
16	V	A	0.0000
17	F	A	2.6170
18	V	A	2.8310
19	V	A	1.9083
20	L	A	0.0000
21	E	A	-0.5820
22	L	A	-0.2650
23	V	A	-0.0762
24	I	A	-1.1495
25	R	A	-2.8922
26	R	A	-3.3908
27	R	A	-3.0288
28	P	A	-1.2726
29	T	A	-0.9201
30	T	A	-0.3708
31	G	A	0.5757
32	T	A	1.0547
33	S	A	0.9704
34	V	A	2.8247
35	V	A	3.1872
36	W	A	2.9938
37	C	A	2.4738
38	G	A	2.2328
39	M	A	2.5856
40	V	A	2.2840
41	V	A	2.4099
42	L	A	2.7096
43	G	A	1.7765
44	L	A	1.6791
45	V	A	2.4280
46	V	A	2.3354
47	T	A	1.1038
48	G	A	0.8550
49	L	A	0.7844
50	V	A	0.0000
51	T	A	0.6593
52	I	A	1.2260
53	E	A	-0.6890
54	G	A	-0.0307
55	L	A	1.3092
56	C	A	1.2789
57	R	A	0.2683
58	Y	A	1.5601
59	V	A	2.6147
60	V	A	2.7493
61	A	A	0.0000
62	V	A	1.8665
63	G	A	1.5094
64	I	A	1.6070
65	L	A	0.0000
66	M	A	0.7387
67	S	A	0.0405
68	M	A	-0.6341
69	E	A	-1.6865
70	L	A	0.0000
71	G	A	-0.7951
72	P	A	-0.4392
73	E	A	-0.8494
74	I	A	0.0000
75	V	A	0.3134
76	A	A	0.0210
77	L	A	0.0000
78	V	A	0.0000
79	L	A	0.6573
80	L	A	0.0000
81	Q	A	0.0000
82	A	A	-0.2094
83	V	A	0.2284
84	F	A	-0.3593
85	D	A	-1.6443
86	M	A	0.0000
87	R	A	-0.7896
88	T	A	0.0000
89	G	A	0.3173
90	L	A	0.2331
91	L	A	0.0000
92	V	A	0.7471
93	A	A	0.5042
94	F	A	0.0000
95	A	A	0.0000
96	V	A	0.6897
97	K	A	-1.4863
98	R	A	-2.1857
99	A	A	-1.1376
100	Y	A	-1.1265
101	T	A	-0.9382
102	T	A	-1.1577
103	R	A	-2.2196
104	E	A	-1.5065
105	A	A	0.0000
106	V	A	0.0000
107	A	A	-0.1660
108	T	A	0.3076
109	Y	A	0.0000
110	F	A	0.0000
111	L	A	2.3050
112	L	A	0.0000
113	L	A	0.0000
114	V	A	3.1411
115	L	A	2.4310
116	E	A	1.5509
117	L	A	2.0677
118	G	A	1.1144
119	F	A	1.0123
120	P	A	-0.4222
121	E	A	-1.2919
122	A	A	-0.8947
123	S	A	-0.3891
124	L	A	-0.0653
125	S	A	-0.7551
126	N	A	-0.7140
127	I	A	1.1450
128	W	A	0.1034
129	K	A	-0.4694
130	W	A	0.9710
131	A	A	0.7115
132	D	A	0.0000
133	S	A	0.0000
134	L	A	1.0485
135	A	A	0.0000
136	M	A	0.0000
137	G	A	0.0000
138	A	A	0.7185
139	L	A	0.0000
140	I	A	0.8958
141	L	A	0.6335
142	Q	A	-0.3528
143	A	A	-0.4854
144	C	A	0.0841
145	G	A	-0.9800
146	Q	A	-2.3713
147	E	A	-2.9299
148	G	A	-2.5674
149	R	A	-2.8230
150	T	A	-1.8800
151	R	A	-1.3162
152	V	A	-0.3152
153	G	A	0.0000
154	Y	A	0.0000
155	L	A	0.7047
156	L	A	0.8228
157	A	A	0.0000
158	A	A	0.0000
159	M	A	0.3086
160	M	A	0.0000
161	T	A	-1.0653
162	Q	A	0.0000
163	K	A	-1.3040
164	D	A	-0.3617
165	M	A	1.1226
166	V	A	1.6211
167	I	A	0.0000
168	I	A	0.8468
169	H	A	0.6029
170	T	A	0.8061
171	G	A	0.0000
172	L	A	0.8785
173	T	A	0.6674
174	I	A	0.6731
175	F	A	0.0000
176	L	A	0.0000
177	S	A	0.4356
178	A	A	0.5603
179	A	A	0.0000
180	T	A	1.0903
181	A	A	1.1987
182	M	A	1.7372
183	A	A	0.0000
184	V	A	1.9455
185	W	A	1.9520
186	S	A	0.0993
187	M	A	0.0792
188	I	A	1.3575
189	K	A	-1.1165
190	G	A	-1.6431
191	Q	A	-2.5667
192	R	A	-3.4979
193	D	A	-3.0274
194	Q	A	-2.7048
195	K	A	-2.3146
196	G	A	0.0000
197	L	A	0.7861
198	S	A	0.1362
199	W	A	0.5433
200	A	A	0.7531
201	T	A	0.5250
202	P	A	0.5791
203	L	A	0.0000
204	A	A	0.6196
205	G	A	0.2422
206	L	A	0.7221
207	L	A	1.3312
208	G	A	0.0926
209	G	A	-0.8610
210	E	A	-1.8243
211	G	A	-0.8979
212	V	A	0.0088
213	G	A	0.5813
214	L	A	0.9795
215	R	A	-0.4858
216	L	A	0.8087
217	L	A	0.8889
218	A	A	0.5918
219	F	A	1.1393
220	R	A	-0.9483
221	K	A	-1.8024
222	L	A	-0.7490
223	A	A	-2.0569
224	E	A	-3.9211
225	R	A	-4.5294
226	R	A	-4.8456
227	N	A	-4.4357
228	R	A	-4.7883
229	R	A	-4.1837