Project name: ImmunogenK

Chain sequence(s)	A: HHHHHHQKNVHEVKDHKFIARFFKQPTFCSHCTDFIWGFGKQGFQCQVCCFVVHKRCHEFVTFSCPGADKGPDTDDPRSKHKFKIHTYGSPTFCDHCGSLLYGLIHQGMKCDTCDMNVHKQCVINVPSLCGMDHTEKRGRIYLKAEVADEKLHVTVRDAKNLIPMDPNGLSDPYVKLKLIPDPKNESKQKTKTIRSTLNPQWNESFTFKLKPSDKDRRLSVEIWDWDRTTRNDFMGSLSFGVSELMKMPASGWYKLLNQEEGEYYNVPIPEGDEEGNMELRQKFEKAKLG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:56)

• Minimal score value: -4.1583
• Maximal score value: 2.4776
• Average score: -1.0481
• Total score value: -303.9495

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	H	A	-1.8844
2	H	A	-2.4001
3	H	A	-2.6881
4	H	A	-2.8936
5	H	A	-3.0155
6	H	A	-3.1620
7	Q	A	-3.1572
8	K	A	-3.0448
9	N	A	-2.5890
10	V	A	-1.7100
11	H	A	-2.2382
12	E	A	-3.1326
13	V	A	-2.3656
14	K	A	-2.5284
15	D	A	-3.0662
16	H	A	0.0000
17	K	A	-2.0835
18	F	A	0.0000
19	I	A	-1.4792
20	A	A	-1.1529
21	R	A	-0.7613
22	F	A	0.1884
23	F	A	0.0000
24	K	A	-1.6156
25	Q	A	-0.9554
26	P	A	-0.0993
27	T	A	0.0000
28	F	A	0.5145
29	C	A	0.0000
30	S	A	0.0000
31	H	A	0.0000
32	C	A	-1.1683
33	T	A	-1.1259
34	D	A	-1.2629
35	F	A	0.5797
36	I	A	0.0000
37	W	A	1.3456
38	G	A	1.2587
39	F	A	1.7509
40	G	A	0.2274
41	K	A	-0.6638
42	Q	A	-0.0619
43	G	A	0.0000
44	F	A	0.0000
45	Q	A	-0.3208
46	C	A	0.0000
47	Q	A	-0.5211
48	V	A	0.0824
49	C	A	0.0000
50	C	A	0.1821
51	F	A	0.0000
52	V	A	0.0000
53	V	A	0.0000
54	H	A	-0.9885
55	K	A	-1.9208
56	R	A	-1.7373
57	C	A	0.0000
58	H	A	-1.9809
59	E	A	-2.5730
60	F	A	0.0000
61	V	A	0.0000
62	T	A	-0.8387
63	F	A	0.0000
64	S	A	-1.3231
65	C	A	0.0000
66	P	A	0.0000
67	G	A	-1.0414
68	A	A	-2.1170
69	D	A	-3.0934
70	K	A	-3.5038
71	G	A	-2.6312
72	P	A	-2.5119
73	D	A	-3.0716
74	T	A	-2.6418
75	D	A	-3.5848
76	D	A	-2.8378
77	P	A	-2.3741
78	R	A	-3.0074
79	S	A	-2.2285
80	K	A	-2.7432
81	H	A	-2.4487
82	K	A	-3.2663
83	F	A	-1.9865
84	K	A	-1.7756
85	I	A	0.7952
86	H	A	0.1015
87	T	A	0.4827
88	Y	A	0.1770
89	G	A	-0.1379
90	S	A	-0.4885
91	P	A	-0.1645
92	T	A	0.0327
93	F	A	0.3631
94	C	A	0.0000
95	D	A	-0.9761
96	H	A	0.0000
97	C	A	0.0530
98	G	A	0.0000
99	S	A	0.0825
100	L	A	0.5190
101	L	A	0.0000
102	Y	A	1.6146
103	G	A	1.3198
104	L	A	2.3111
105	I	A	2.4776
106	H	A	0.6484
107	Q	A	0.7899
108	G	A	0.0000
109	M	A	-1.0641
110	K	A	-1.7375
111	C	A	0.0000
112	D	A	-3.1747
113	T	A	-1.9663
114	C	A	-1.7041
115	D	A	-2.6478
116	M	A	0.0000
117	N	A	-1.1537
118	V	A	0.0000
119	H	A	-0.4890
120	K	A	-1.2555
121	Q	A	-1.1853
122	C	A	0.0000
123	V	A	0.6628
124	I	A	1.6133
125	N	A	0.8123
126	V	A	0.0000
127	P	A	0.0000
128	S	A	-0.9493
129	L	A	-0.5998
130	C	A	-1.5622
131	G	A	-1.1525
132	M	A	-0.4755
133	D	A	-1.6239
134	H	A	-1.0295
135	T	A	-1.1711
136	E	A	0.0000
137	K	A	-2.2187
138	R	A	-1.2443
139	G	A	0.0000
140	R	A	-0.6340
141	I	A	0.0000
142	Y	A	-0.5558
143	L	A	0.0000
144	K	A	-1.2421
145	A	A	0.0000
146	E	A	-1.3862
147	V	A	-1.6991
148	A	A	-1.7329
149	D	A	-3.1025
150	E	A	-3.8303
151	K	A	-3.3298
152	L	A	0.0000
153	H	A	-1.5077
154	V	A	0.0000
155	T	A	-1.0314
156	V	A	0.0000
157	R	A	-1.6522
158	D	A	0.0000
159	A	A	0.0000
160	K	A	-0.8685
161	N	A	0.0000
162	L	A	0.0000
163	I	A	-0.0583
164	P	A	-0.1176
165	M	A	-0.5718
166	D	A	-1.4307
167	P	A	-1.2359
168	N	A	-1.6594
169	G	A	-0.8895
170	L	A	-0.5876
171	S	A	0.0000
172	D	A	-1.3867
173	P	A	0.0000
174	Y	A	0.0000
175	V	A	0.0000
176	K	A	-1.5175
177	L	A	0.0000
178	K	A	-1.5994
179	L	A	0.0000
180	I	A	-0.9184
181	P	A	-1.0828
182	D	A	0.0000
183	P	A	-1.7814
184	K	A	-3.1656
185	N	A	-3.3767
186	E	A	-3.4315
187	S	A	-2.4460
188	K	A	-2.8167
189	Q	A	-2.0281
190	K	A	-2.6515
191	T	A	0.0000
192	K	A	-2.4982
193	T	A	-1.3933
194	I	A	-1.1111
195	R	A	-1.7849
196	S	A	-1.2703
197	T	A	-0.6932
198	L	A	-0.3612
199	N	A	-0.8815
200	P	A	0.0000
201	Q	A	-1.9995
202	W	A	0.0000
203	N	A	-2.1967
204	E	A	-1.6723
205	S	A	-0.9452
206	F	A	-0.4544
207	T	A	-0.8458
208	F	A	0.0000
209	K	A	-3.1383
210	L	A	0.0000
211	K	A	-2.9651
212	P	A	-1.9828
213	S	A	-1.7592
214	D	A	0.0000
215	K	A	-2.8319
216	D	A	-2.8412
217	R	A	-1.6941
218	R	A	-1.1959
219	L	A	0.0000
220	S	A	0.0000
221	V	A	0.0000
222	E	A	0.0000
223	I	A	0.0000
224	W	A	0.0000
225	D	A	0.0000
226	W	A	-1.3472
227	D	A	-2.2914
228	R	A	-2.4528
229	T	A	-1.5458
230	T	A	-1.9228
231	R	A	-2.7822
232	N	A	-2.2369
233	D	A	-2.1303
234	F	A	-0.8757
235	M	A	0.0000
236	G	A	0.0000
237	S	A	0.0000
238	L	A	0.0000
239	S	A	0.0000
240	F	A	0.0000
241	G	A	-1.2990
242	V	A	0.0000
243	S	A	-2.0193
244	E	A	-2.5527
245	L	A	0.0000
246	M	A	-1.3474
247	K	A	-1.7849
248	M	A	-0.4118
249	P	A	-0.7820
250	A	A	0.0000
251	S	A	-0.5383
252	G	A	0.0000
253	W	A	-0.4245
254	Y	A	0.0000
255	K	A	-0.4322
256	L	A	0.0000
257	L	A	0.0000
258	N	A	-2.0701
259	Q	A	-2.2679
260	E	A	-2.7309
261	E	A	-1.7911
262	G	A	0.0000
263	E	A	-1.5076
264	Y	A	0.2677
265	Y	A	0.5676
266	N	A	0.2836
267	V	A	0.5421
268	P	A	-0.0845
269	I	A	0.0000
270	P	A	-1.6841
271	E	A	-3.2032
272	G	A	-3.2035
273	D	A	-4.1583
274	E	A	-4.0126
275	E	A	-3.7613
276	G	A	-3.0752
277	N	A	-2.5875
278	M	A	-1.5675
279	E	A	-2.5855
280	L	A	-1.9400
281	R	A	-2.2998
282	Q	A	-2.9609
283	K	A	-3.2212
284	F	A	-1.7039
285	E	A	-2.4547
286	K	A	-2.7948
287	A	A	-1.7059
288	K	A	-1.8387
289	L	A	-0.1006
290	G	A	-0.7198