Project name: KFDV_NS4A

Chain sequence(s)	A: SVGDVLGGLAGVPGLLRHRCASALDVVYTLLNENPGSRAMRMAERDAPEAFLTIVEVAVLGVATLGILWCFVARTSVSRMFLGTVVLFAALFLLWIGGVDYGHMAGIALIFYTLLTVLQPEPGKQRSSDDNRLAYFLLGLFSLAGLVTAKEAQILLDNITTLRGPVATFYGPEQVKMPEVAGHYRLNEEKRKHFRHLMTQCDFTPWLAWHVATNTSNVLDRSWTWQGPEENAIDGADGDLVRFKTPGGSERVLQPVWKDCRMFREGRDVKDFILYASGRR
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                                          (00:03:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:12)

• Minimal score value: -3.9734
• Maximal score value: 4.4964
• Average score: -0.0487
• Total score value: -13.6336

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	S	A	0.4405
2	V	A	1.8061
3	G	A	0.5233
4	D	A	-0.2539
5	V	A	2.1461
6	L	A	2.2285
7	G	A	0.6002
8	G	A	0.7375
9	L	A	2.0722
10	A	A	1.1942
11	G	A	0.8670
12	V	A	1.6915
13	P	A	1.0624
14	G	A	0.3577
15	L	A	0.9445
16	L	A	0.0000
17	R	A	-0.8432
18	H	A	-1.2314
19	R	A	-1.1681
20	C	A	-0.2172
21	A	A	-0.9613
22	S	A	-1.2567
23	A	A	0.0000
24	L	A	0.6555
25	D	A	-0.6654
26	V	A	-0.1142
27	V	A	1.0801
28	Y	A	1.2272
29	T	A	0.0722
30	L	A	0.4470
31	L	A	1.0327
32	N	A	-0.8302
33	E	A	-1.8849
34	N	A	-2.2640
35	P	A	-1.6507
36	G	A	-1.7089
37	S	A	-1.8837
38	R	A	-2.3190
39	A	A	-1.4055
40	M	A	0.0000
41	R	A	-2.1924
42	M	A	-1.1961
43	A	A	0.0000
44	E	A	-2.3848
45	R	A	-3.2900
46	D	A	-2.9170
47	A	A	0.0000
48	P	A	-1.0934
49	E	A	-1.3170
50	A	A	0.0000
51	F	A	2.4980
52	L	A	2.4564
53	T	A	0.0000
54	I	A	2.7093
55	V	A	3.3776
56	E	A	2.1551
57	V	A	2.0576
58	A	A	2.6469
59	V	A	3.3349
60	L	A	2.8710
61	G	A	3.0876
62	V	A	3.5369
63	A	A	2.3287
64	T	A	2.4568
65	L	A	3.0967
66	G	A	3.0217
67	I	A	3.4824
68	L	A	3.0586
69	W	A	2.6857
70	C	A	2.0667
71	F	A	2.2649
72	V	A	0.0000
73	A	A	-0.0009
74	R	A	-1.0865
75	T	A	-0.2634
76	S	A	-0.1603
77	V	A	1.0290
78	S	A	0.3920
79	R	A	-0.1201
80	M	A	1.1901
81	F	A	2.7939
82	L	A	2.8430
83	G	A	2.3256
84	T	A	2.7147
85	V	A	3.2089
86	V	A	3.3677
87	L	A	0.0000
88	F	A	3.7483
89	A	A	3.0813
90	A	A	2.8185
91	L	A	3.6915
92	F	A	4.4964
93	L	A	3.9998
94	L	A	2.9443
95	W	A	3.3689
96	I	A	3.4906
97	G	A	1.4831
98	G	A	0.6478
99	V	A	0.4235
100	D	A	-1.2269
101	Y	A	0.3308
102	G	A	-0.7170
103	H	A	-0.8865
104	M	A	0.5765
105	A	A	0.5317
106	G	A	0.9733
107	I	A	1.7820
108	A	A	2.2343
109	L	A	2.9938
110	I	A	3.1885
111	F	A	2.8103
112	Y	A	2.9421
113	T	A	2.0786
114	L	A	2.0132
115	L	A	1.2704
116	T	A	0.4113
117	V	A	0.5080
118	L	A	0.6435
119	Q	A	-0.7768
120	P	A	-1.7688
121	E	A	-2.4701
122	P	A	-2.0894
123	G	A	-2.0733
124	K	A	-3.0751
125	Q	A	-2.6208
126	R	A	-2.4617
127	S	A	-2.1407
128	S	A	-2.1247
129	D	A	-2.8604
130	D	A	-1.9311
131	N	A	-1.4804
132	R	A	-1.5567
133	L	A	0.2626
134	A	A	0.0000
135	Y	A	2.0644
136	F	A	2.7886
137	L	A	0.0000
138	L	A	2.7408
139	G	A	2.3754
140	L	A	2.6563
141	F	A	2.5611
142	S	A	2.0391
143	L	A	2.8285
144	A	A	2.0371
145	G	A	1.3255
146	L	A	2.1144
147	V	A	2.0936
148	T	A	0.8096
149	A	A	0.1573
150	K	A	-0.0996
151	E	A	0.0000
152	A	A	0.4688
153	Q	A	0.0000
154	I	A	0.0000
155	L	A	0.5979
156	L	A	0.9098
157	D	A	0.0000
158	N	A	0.0000
159	I	A	1.5874
160	T	A	0.7937
161	T	A	0.5964
162	L	A	0.7959
163	R	A	-1.0899
164	G	A	-0.4190
165	P	A	0.0709
166	V	A	0.8103
167	A	A	0.7895
168	T	A	0.5523
169	F	A	0.1815
170	Y	A	0.7911
171	G	A	-0.1739
172	P	A	-0.6144
173	E	A	-1.0507
174	Q	A	-0.6769
175	V	A	0.2676
176	K	A	-1.3430
177	M	A	-0.4608
178	P	A	-0.3529
179	E	A	-0.4718
180	V	A	1.0378
181	A	A	0.4358
182	G	A	-0.1965
183	H	A	-0.7774
184	Y	A	0.0000
185	R	A	-1.3171
186	L	A	0.0000
187	N	A	-3.0974
188	E	A	-3.9590
189	E	A	-3.9734
190	K	A	-3.5875
191	R	A	-3.3505
192	K	A	-3.8660
193	H	A	0.0000
194	F	A	0.0000
195	R	A	-2.9644
196	H	A	-2.4883
197	L	A	0.0000
198	M	A	-1.5385
199	T	A	-1.7478
200	Q	A	-2.2770
201	C	A	0.0000
202	D	A	-2.4237
203	F	A	0.0000
204	T	A	-0.4325
205	P	A	-0.2366
206	W	A	0.3892
207	L	A	0.0000
208	A	A	0.0000
209	W	A	-0.3731
210	H	A	-0.2617
211	V	A	0.0000
212	A	A	0.0000
213	T	A	-1.1893
214	N	A	-1.5728
215	T	A	0.0000
216	S	A	-0.9539
217	N	A	-1.1529
218	V	A	0.0765
219	L	A	1.0519
220	D	A	-0.1713
221	R	A	-0.3374
222	S	A	-0.3438
223	W	A	0.0000
224	T	A	0.0000
225	W	A	-1.0588
226	Q	A	-1.4257
227	G	A	-1.1564
228	P	A	-1.8213
229	E	A	-2.8682
230	E	A	-2.8572
231	N	A	-2.0151
232	A	A	-1.7648
233	I	A	0.0000
234	D	A	-2.7462
235	G	A	-2.4092
236	A	A	-2.0542
237	D	A	-2.7143
238	G	A	-2.4827
239	D	A	-2.7598
240	L	A	-1.5067
241	V	A	-1.4149
242	R	A	-2.5057
243	F	A	0.0000
244	K	A	-3.2511
245	T	A	0.0000
246	P	A	-1.4922
247	G	A	-1.3327
248	G	A	-1.7509
249	S	A	-2.2606
250	E	A	-3.6972
251	R	A	-3.1802
252	V	A	-1.8814
253	L	A	0.0000
254	Q	A	-1.5460
255	P	A	0.0000
256	V	A	-0.1954
257	W	A	0.0172
258	K	A	-0.7248
259	D	A	0.0000
260	C	A	-0.1767
261	R	A	-1.1730
262	M	A	0.0000
263	F	A	-2.0334
264	R	A	-3.2924
265	E	A	-3.7976
266	G	A	-3.0208
267	R	A	-3.4169
268	D	A	-2.9472
269	V	A	-2.2446
270	K	A	-2.3148
271	D	A	-1.7567
272	F	A	0.0000
273	I	A	-0.7581
274	L	A	-0.9323
275	Y	A	0.0000
276	A	A	0.0000
277	S	A	0.0000
278	G	A	-1.4943
279	R	A	-2.2129
280	R	A	-1.7078