Project name: KFDV_NS4B

Chain sequence(s)	A: NEMGMLDKTKADLAGLVWRGEQRHPAWEEWTNVDIQPARSWGTYVLIVSLFTPYMLHQLQTKIQQLVNSSVASGAQAMRDLGGGTPFFGVAGHVIALGVTSLVGATPMSLGLGVALAAFHLAIVASGLEAELTQRAHRVFFSAMVKNPMVDGDVINPFPDGETKPALYERRMSLILAIALCMGSVVLNRTAASMTEAGAVGLAALGQLVHPETETLWTMPMACGMAGLVRGSFWGLLPMGHRLWLRTTGTRR
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                                          (00:02:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:36)

• Minimal score value: -3.7683
• Maximal score value: 2.9515
• Average score: -0.0624
• Total score value: -15.7353

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	-1.6413
2	E	A	-1.7586
3	M	A	-0.2360
4	G	A	-0.7433
5	M	A	-0.2708
6	L	A	-1.0999
7	D	A	-2.5686
8	K	A	-2.7142
9	T	A	-1.9300
10	K	A	-2.3954
11	A	A	-1.6466
12	D	A	-1.4566
13	L	A	0.6436
14	A	A	0.6465
15	G	A	0.6049
16	L	A	1.9288
17	V	A	2.5663
18	W	A	1.0868
19	R	A	-1.0633
20	G	A	-1.9079
21	E	A	-3.7683
22	Q	A	-3.6111
23	R	A	-3.6401
24	H	A	-2.8092
25	P	A	-1.2904
26	A	A	-0.4876
27	W	A	0.3603
28	E	A	-1.2916
29	E	A	-1.6650
30	W	A	0.2988
31	T	A	-0.2154
32	N	A	-1.4224
33	V	A	-0.2409
34	D	A	-0.5365
35	I	A	0.0000
36	Q	A	0.0000
37	P	A	0.0000
38	A	A	0.0000
39	R	A	0.3321
40	S	A	0.0000
41	W	A	0.0000
42	G	A	0.0000
43	T	A	0.0000
44	Y	A	0.0000
45	V	A	1.0699
46	L	A	1.6463
47	I	A	1.6339
48	V	A	1.3482
49	S	A	1.2326
50	L	A	1.7389
51	F	A	1.7501
52	T	A	0.9196
53	P	A	0.9890
54	Y	A	1.1698
55	M	A	0.4568
56	L	A	-0.0842
57	H	A	-0.8224
58	Q	A	-1.4410
59	L	A	-1.2393
60	Q	A	-1.6191
61	T	A	-1.7592
62	K	A	-1.9901
63	I	A	0.0000
64	Q	A	-1.6195
65	Q	A	-1.5294
66	L	A	-0.2993
67	V	A	0.0000
68	N	A	-0.4587
69	S	A	-0.7748
70	S	A	0.1421
71	V	A	1.0584
72	A	A	-0.2260
73	S	A	-0.5566
74	G	A	-0.8456
75	A	A	-1.2473
76	Q	A	-1.9977
77	A	A	-1.3262
78	M	A	-1.2961
79	R	A	-2.8045
80	D	A	-2.2570
81	L	A	-0.2356
82	G	A	-1.1564
83	G	A	-1.3117
84	G	A	-0.4224
85	T	A	0.0975
86	P	A	0.9268
87	F	A	2.2826
88	F	A	1.9130
89	G	A	0.6453
90	V	A	0.6667
91	A	A	0.2538
92	G	A	-0.0296
93	H	A	0.1359
94	V	A	0.0000
95	I	A	1.5449
96	A	A	0.0000
97	L	A	0.0000
98	G	A	0.0000
99	V	A	2.1305
100	T	A	0.0000
101	S	A	0.0000
102	L	A	1.6522
103	V	A	1.6720
104	G	A	0.7657
105	A	A	0.7111
106	T	A	0.2869
107	P	A	0.1248
108	M	A	0.7353
109	S	A	0.0000
110	L	A	1.0692
111	G	A	0.7502
112	L	A	0.9867
113	G	A	0.0000
114	V	A	2.3717
115	A	A	1.5283
116	L	A	1.6288
117	A	A	0.0000
118	A	A	1.8195
119	F	A	2.3342
120	H	A	0.0000
121	L	A	1.1753
122	A	A	0.9837
123	I	A	0.8724
124	V	A	0.0000
125	A	A	-0.0030
126	S	A	-0.5746
127	G	A	-1.0208
128	L	A	0.0000
129	E	A	-1.6034
130	A	A	-1.4587
131	E	A	-2.0586
132	L	A	-1.8044
133	T	A	-1.2929
134	Q	A	-1.8814
135	R	A	-1.8732
136	A	A	-0.5227
137	H	A	-0.5706
138	R	A	-0.4400
139	V	A	1.3953
140	F	A	1.6458
141	F	A	1.4493
142	S	A	1.2776
143	A	A	1.1523
144	M	A	1.7465
145	V	A	1.0779
146	K	A	-0.4874
147	N	A	-0.2848
148	P	A	-0.0881
149	M	A	1.0938
150	V	A	1.1443
151	D	A	-1.1763
152	G	A	-1.3898
153	D	A	-1.8017
154	V	A	-0.0438
155	I	A	1.6197
156	N	A	0.8165
157	P	A	0.2678
158	F	A	0.0113
159	P	A	-1.4370
160	D	A	-2.8035
161	G	A	-2.5000
162	E	A	-2.7848
163	T	A	-1.8025
164	K	A	-1.0154
165	P	A	-0.6146
166	A	A	-0.1038
167	L	A	-0.0042
168	Y	A	-0.1659
169	E	A	-0.4931
170	R	A	-0.7980
171	R	A	-0.2480
172	M	A	0.3091
173	S	A	0.2658
174	L	A	0.0000
175	I	A	1.8721
176	L	A	1.0883
177	A	A	0.0000
178	I	A	1.5821
179	A	A	0.9634
180	L	A	0.0000
181	C	A	0.0000
182	M	A	1.4296
183	G	A	1.1113
184	S	A	0.0000
185	V	A	1.0231
186	V	A	1.7870
187	L	A	0.5101
188	N	A	0.0000
189	R	A	-1.4346
190	T	A	-0.9635
191	A	A	-0.1364
192	A	A	-0.0826
193	S	A	0.0000
194	M	A	0.1881
195	T	A	0.0062
196	E	A	0.0000
197	A	A	0.0000
198	G	A	0.2845
199	A	A	0.0000
200	V	A	0.0000
201	G	A	0.0000
202	L	A	1.7760
203	A	A	0.0000
204	A	A	0.0000
205	L	A	2.1030
206	G	A	0.9962
207	Q	A	-0.1531
208	L	A	1.0833
209	V	A	1.2510
210	H	A	-0.8682
211	P	A	-1.2702
212	E	A	-2.3859
213	T	A	-1.8393
214	E	A	-2.0934
215	T	A	-0.5254
216	L	A	1.1425
217	W	A	0.9005
218	T	A	0.0000
219	M	A	0.0000
220	P	A	0.0000
221	M	A	0.0000
222	A	A	0.0000
223	C	A	0.0000
224	G	A	0.0000
225	M	A	1.1423
226	A	A	0.0000
227	G	A	0.0000
228	L	A	1.7960
229	V	A	1.1690
230	R	A	0.3146
231	G	A	0.4316
232	S	A	1.5343
233	F	A	2.9515
234	W	A	2.7458
235	G	A	0.0000
236	L	A	2.7553
237	L	A	2.2793
238	P	A	0.0000
239	M	A	1.3831
240	G	A	0.9618
241	H	A	0.5530
242	R	A	0.5886
243	L	A	1.4645
244	W	A	1.2134
245	L	A	0.2927
246	R	A	-1.0949
247	T	A	-0.5820
248	T	A	-1.0320
249	G	A	-1.8453
250	T	A	-2.1238
251	R	A	-3.1535
252	R	A	-2.8803