Project name: secu

Chain sequence(s)	H: EVQLVESGGGLVQPGGSLRLSCAASGFTFSNYWMNWVRQAPGKGLEWVAAINQDGSEKYYVGSVKGRFTISRDNAKNSLYLQMNSLRVEDTAVYYCVRDYYDILTDYYIHYWYFDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG; C: EVQLVESGGGLVQPGGSLRLSCAASGFTFSNYWMNWVRQAPGKGLEWVAAINQDGSEKYYVGSVKGRFTISRDNAKNSLYLQMNSLRVEDTAVYYCVRDYYDILTDYYIHYWYFDLWGRGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS; L: EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPCTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; D: EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSPCTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
Selected Chain(s)	H,C,L,D
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 all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:14:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:48)

• Minimal score value: -4.0567
• Maximal score value: 2.1467
• Average score: -0.7698
• Total score value: -1031.5038

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	E	H	-1.7527
2	V	H	-0.5825
3	Q	H	-0.8397
4	L	H	0.0000
5	V	H	0.2663
6	E	H	0.0000
7	S	H	-0.4873
8	G	H	-0.8173
9	G	H	-0.1252
10	G	H	0.2742
11	L	H	0.5838
12	V	H	-0.2040
13	Q	H	-1.2169
14	P	H	-1.1469
15	G	H	-1.1550
16	G	H	-1.0208
17	S	H	-1.2167
18	L	H	-1.0043
19	R	H	-2.1472
20	L	H	0.0000
21	S	H	-0.5171
22	C	H	0.0000
23	A	H	-0.2304
24	A	H	0.0000
25	S	H	-0.6569
26	G	H	-0.8374
27	F	H	-0.3750
28	T	H	-0.2998
29	F	H	0.0000
30	S	H	-1.1268
31	N	H	-0.8398
32	Y	H	-0.3029
33	W	H	-0.4769
34	M	H	0.0000
35	N	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.7303
40	A	H	-1.0749
41	P	H	-0.8538
42	G	H	-1.4849
43	K	H	-2.4131
44	G	H	-1.6524
45	L	H	0.0000
46	E	H	-1.1411
47	W	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	A	H	0.0000
51	I	H	0.0000
52	N	H	0.0000
52A	Q	H	-1.5526
53	D	H	-2.4681
54	G	H	-1.9823
55	S	H	-1.8609
56	E	H	-2.5000
57	K	H	-1.6746
58	Y	H	-0.4979
59	Y	H	-0.1739
60	V	H	-0.2641
61	G	H	-0.8524
62	S	H	-0.9937
63	V	H	0.0000
64	K	H	-1.9339
65	G	H	-1.4284
66	R	H	0.0000
67	F	H	0.0000
68	T	H	-0.8353
69	I	H	0.0000
70	S	H	-0.5562
71	R	H	-1.2124
72	D	H	-1.7371
73	N	H	-1.8815
74	A	H	-1.3220
75	K	H	-2.2660
76	N	H	-1.7355
77	S	H	0.0000
78	L	H	0.0000
79	Y	H	-0.5691
80	L	H	0.0000
81	Q	H	-1.2506
82	M	H	0.0000
82A	N	H	-1.3621
82B	S	H	-1.1939
82C	L	H	0.0000
83	R	H	-1.4087
84	V	H	0.0330
85	E	H	-1.3985
86	D	H	0.0000
87	T	H	0.0101
88	A	H	0.0000
89	V	H	0.4915
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	V	H	0.0000
94	R	H	0.0000
95	D	H	0.0000
96	Y	H	0.2926
97	Y	H	0.4301
98	D	H	0.9203
99	I	H	2.1467
100	L	H	2.1321
100A	T	H	0.6805
100B	D	H	-0.3152
100C	Y	H	1.4078
100D	Y	H	1.2632
100E	I	H	1.1675
100F	H	H	0.5738
100G	Y	H	0.4581
100H	W	H	0.2444
100I	Y	H	0.0000
100J	F	H	0.0000
101	D	H	-0.6503
102	L	H	-0.2990
103	W	H	0.0000
104	G	H	0.0000
105	R	H	-2.0194
106	G	H	0.0000
107	T	H	0.0000
108	L	H	1.2782
109	V	H	0.0000
110	T	H	0.0000
111	V	H	0.0000
112	S	H	-0.3817
113	S	H	-0.3684
114	A	H	-0.4296
115	S	H	-0.5235
116	T	H	-0.6705
117	K	H	-1.4097
118	G	H	-1.3933
119	P	H	-0.6589
120	S	H	-0.1877
121	V	H	0.0000
122	F	H	-0.5325
123	P	H	-1.2176
124	L	H	0.0000
125	A	H	-1.2005
126	P	H	0.0000
127	S	H	-1.3281
128	S	H	-1.2064
129	K	H	-1.9492
130	S	H	-1.3634
131	T	H	-1.0818
132	S	H	-0.8885
133	G	H	-0.8651
134	G	H	-0.8956
135	T	H	-0.5756
136	A	H	-0.4888
137	A	H	0.0000
138	L	H	0.0000
139	G	H	0.0000
140	C	H	0.0000
141	L	H	0.0000
142	V	H	0.0000
143	K	H	0.0000
144	D	H	-0.5008
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	0.0000
148	E	H	-1.0246
149	P	H	-0.8985
150	V	H	-0.6678
151	T	H	-0.4863
152	V	H	-0.1466
153	S	H	-0.3785
154	W	H	0.0000
155	N	H	-0.8046
156	S	H	-0.6955
157	G	H	-0.5745
158	A	H	-0.2496
159	L	H	-0.0258
160	T	H	-0.2219
161	S	H	-0.2672
162	G	H	-0.3718
163	V	H	0.0404
164	H	H	-0.0414
165	T	H	0.1498
166	F	H	0.0000
167	P	H	-0.1537
168	A	H	0.0716
169	V	H	-0.0244
170	L	H	0.5341
171	Q	H	-0.0926
172	S	H	-0.1763
173	S	H	-0.2944
174	G	H	-0.0661
175	L	H	-0.0942
176	Y	H	0.0000
177	S	H	-0.0657
178	L	H	0.0000
179	S	H	0.0000
180	S	H	0.0000
181	V	H	0.0000
182	V	H	0.0000
183	T	H	-0.1689
184	V	H	0.0000
185	P	H	-0.4523
186	S	H	-0.5913
187	S	H	-0.4866
188	S	H	-0.5982
189	L	H	-0.7211
190	G	H	-0.9823
191	T	H	-0.7886
192	Q	H	-1.4049
193	T	H	-1.2407
194	Y	H	0.0000
195	I	H	-1.4184
196	C	H	0.0000
197	N	H	-1.4931
198	V	H	0.0000
199	N	H	-1.6061
200	H	H	0.0000
201	K	H	-2.7546
202	P	H	-1.7235
203	S	H	-1.9471
204	N	H	-2.5917
205	T	H	-2.0462
206	K	H	-2.5433
207	V	H	-1.4026
208	D	H	-2.5489
209	K	H	-2.1447
210	R	H	-2.8353
211	V	H	0.0000
212	E	H	-3.0635
213	P	H	-2.0954
214	K	H	-2.5805
215	S	H	-1.8306
216	C	H	-1.3952
217	D	H	-3.0200
218	K	H	-3.3212
219	T	H	-2.2837
220	H	H	-2.5017
221	T	H	-1.6012
222	C	H	-0.2638
223	P	H	-0.4457
224	P	H	-0.0859
225	C	H	0.2554
226	P	H	-0.2658
227	A	H	-0.9548
228	P	H	-1.7639
229	E	H	-2.5089
230	A	H	-1.4478
231	A	H	-1.1525
232	G	H	-0.9067
233	G	H	-1.1274
234	P	H	0.0000
235	S	H	-0.1714
236	V	H	0.0000
237	F	H	1.3367
238	L	H	1.0980
239	F	H	1.3003
240	P	H	-0.0642
241	P	H	0.0000
242	K	H	-2.1399
243	P	H	-1.2447
244	K	H	-0.9211
245	D	H	0.0000
246	T	H	0.0000
247	L	H	-0.2725
248	M	H	0.3801
249	I	H	1.3840
250	S	H	0.0264
251	R	H	-1.3072
252	T	H	-0.7387
253	P	H	0.0000
254	E	H	-1.2724
255	V	H	0.0000
256	T	H	0.5161
257	C	H	0.0000
258	V	H	0.0000
259	V	H	0.0000
260	V	H	-0.8034
261	D	H	-1.8401
262	V	H	0.0000
263	S	H	-1.9168
264	H	H	-2.0727
265	E	H	-2.8315
266	D	H	-2.3236
267	P	H	-2.2716
268	E	H	-2.8877
269	V	H	-1.8351
270	K	H	-2.1429
271	F	H	-1.1552
272	N	H	-1.2874
273	W	H	0.0000
274	Y	H	-1.1383
275	V	H	-0.9574
276	D	H	-2.0525
277	G	H	-0.9063
278	V	H	0.3685
279	E	H	-1.4310
280	V	H	-0.8967
281	H	H	-2.0522
282	N	H	-2.1963
283	A	H	-1.6641
284	K	H	-2.4118
285	T	H	-1.8777
286	K	H	-2.4772
287	P	H	-2.3206
288	R	H	-3.6108
289	E	H	-4.0567
290	E	H	-3.3623
291	Q	H	-1.9676
292	Y	H	0.2981
293	N	H	-0.6523
294	S	H	-0.9245
295	T	H	0.0000
296	Y	H	-2.6308
297	R	H	-2.9847
298	V	H	0.0000
299	V	H	0.0000
300	S	H	0.0000
301	V	H	-0.7734
302	L	H	0.0000
303	T	H	-0.7630
304	V	H	0.0000
305	L	H	-0.0978
306	H	H	-0.6216
307	Q	H	-1.6457
308	D	H	-1.7513
309	W	H	0.0000
310	L	H	-1.2484
311	N	H	-2.1632
312	G	H	-1.9987
313	K	H	-2.0166
314	E	H	-2.1735
315	Y	H	0.0000
316	K	H	-1.5345
317	C	H	0.0000
318	K	H	-1.3812
319	V	H	0.0000
320	S	H	-1.2883
321	N	H	0.0000
322	K	H	-2.5086
323	A	H	-1.7896
324	L	H	0.0000
325	P	H	-0.6835
326	A	H	-0.4786
327	P	H	-0.5795
328	I	H	-0.3070
329	E	H	-1.2613
330	K	H	-0.9235
331	T	H	-0.8571
332	I	H	-0.1945
333	S	H	-1.0728
334	K	H	-1.2787
335	A	H	-1.0097
336	K	H	-2.2490
337	G	H	-1.7964
338	Q	H	-1.8240
339	P	H	-1.7312
340	R	H	-1.8481
341	E	H	-2.3980
342	P	H	0.0000
343	Q	H	-1.0291
344	V	H	0.0000
345	Y	H	0.0000
346	T	H	0.0000
347	L	H	0.0000
348	P	H	-0.4204
349	P	H	-0.7887
350	S	H	0.0000
351	R	H	-2.2345
352	E	H	-1.9024
353	E	H	0.0000
354	M	H	-1.6786
355	T	H	-1.4935
356	K	H	-2.2848
357	N	H	-2.7412
358	Q	H	-2.6849
359	V	H	0.0000
360	S	H	0.0000
361	L	H	0.0000
362	T	H	0.0000
363	C	H	0.0000
364	L	H	0.0000
365	V	H	0.0000
366	K	H	-0.4115
367	G	H	-0.9145
368	F	H	0.0000
369	Y	H	-0.8584
370	P	H	-1.0835
371	S	H	-0.1863
372	D	H	-0.9321
373	I	H	-0.5185
374	A	H	-0.3913
375	V	H	-0.2297
376	E	H	-0.9260
377	W	H	0.0000
378	E	H	-1.5394
379	S	H	0.0000
380	N	H	-1.8101
381	G	H	-1.8601
382	Q	H	-2.2954
383	P	H	-1.9763
384	E	H	-1.9594
385	N	H	-2.3194
386	N	H	-2.0250
387	Y	H	-1.2447
388	K	H	-1.0661
389	T	H	-0.3370
390	T	H	0.0000
391	P	H	-0.1266
392	P	H	0.1391
393	V	H	0.4413
394	L	H	0.6610
395	D	H	-0.5563
396	S	H	-1.1855
397	D	H	-1.8092
398	G	H	-0.7597
399	S	H	0.0000
400	F	H	0.2306
401	F	H	0.0000
402	L	H	0.0000
403	Y	H	0.0000
404	S	H	0.0000
405	K	H	0.0000
406	L	H	0.0000
407	T	H	-1.1841
408	V	H	0.0000
409	D	H	-2.7863
410	K	H	-2.8030
411	S	H	-2.3547
412	R	H	-2.0931
413	W	H	0.0000
414	Q	H	-2.4366
415	Q	H	-2.1524
416	G	H	-1.2301
417	N	H	-0.6492
418	V	H	0.6584
419	F	H	0.0000
420	S	H	-0.6236
421	C	H	0.0000
422	S	H	0.0000
423	V	H	0.0000
424	M	H	0.0000
425	H	H	0.0000
426	E	H	-1.2706
427	A	H	-1.5839
428	L	H	-1.5643
429	H	H	-1.9001
430	N	H	-1.8376
431	H	H	-1.4259
432	Y	H	-0.6171
433	T	H	-0.7852
434	Q	H	-1.1070
435	K	H	-0.9543
436	S	H	-0.3530
437	L	H	0.0000
438	S	H	-0.0368
439	L	H	-0.3483
440	S	H	-0.4861
441	P	H	-0.5238
442	G	H	-0.8703
1	E	L	-1.6363
2	I	L	0.0000
3	V	L	0.6572
4	L	L	0.0000
5	T	L	-0.7327
6	Q	L	0.0000
7	S	L	-0.8392
8	P	L	-0.4752
9	G	L	-0.8100
10	T	L	-0.5001
11	L	L	-0.3300
12	S	L	-0.7509
13	L	L	-1.3212
14	S	L	-1.8515
15	P	L	-2.0346
16	G	L	-2.4511
17	E	L	-3.2237
18	R	L	-3.3552
19	A	L	0.0000
20	T	L	-0.5415
21	L	L	0.0000
22	S	L	-0.8766
23	C	L	0.0000
24	R	L	-2.2652
25	A	L	-1.1014
26	S	L	-0.9699
27	Q	L	-1.5950
28	S	L	-1.2566
29	V	L	0.0000
30	S	L	-0.4845
30A	S	L	-0.4153
31	S	L	0.0043
32	Y	L	0.3569
33	L	L	0.0000
34	A	L	0.0000
35	W	L	0.0000
36	Y	L	0.0000
37	Q	L	0.0000
38	Q	L	0.0000
39	K	L	-1.5047
40	P	L	-1.4338
41	G	L	-1.5738
42	Q	L	-2.2657
43	A	L	-1.6073
44	P	L	0.0000
45	R	L	-1.3560
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.0796
50	G	L	-0.1338
51	A	L	0.0000
52	S	L	-0.6383
53	S	L	-0.6327
54	R	L	-1.3504
55	A	L	-0.7725
56	T	L	-0.5767
57	G	L	-0.7887
58	I	L	-0.8200
59	P	L	-1.2216
60	D	L	-2.3367
61	R	L	-1.9771
62	F	L	0.0000
63	S	L	-0.9007
64	G	L	-0.4973
65	S	L	-0.6691
66	G	L	-1.0642
67	S	L	-1.0042
68	G	L	-1.1733
69	T	L	-1.6798
70	D	L	-2.0620
71	F	L	0.0000
72	T	L	-0.7521
73	L	L	0.0000
74	T	L	-0.8294
75	I	L	0.0000
76	S	L	-2.4669
77	R	L	-3.6208
78	L	L	0.0000
79	E	L	-2.4692
80	P	L	-1.4837
81	E	L	-2.2304
82	D	L	0.0000
83	F	L	-0.5374
84	A	L	0.0000
85	V	L	-0.1908
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	Q	L	0.0000
91	Y	L	0.0000
92	G	L	-0.1910
93	S	L	-0.6718
94	S	L	-0.6286
95	P	L	-0.5801
96	C	L	0.0000
97	T	L	-0.2621
98	F	L	-0.0023
99	G	L	0.0000
100	Q	L	-1.5107
101	G	L	0.0000
102	T	L	0.0000
103	R	L	-0.6188
104	L	L	0.0000
105	E	L	0.0000
106	I	L	-0.7446
107	K	L	-1.8693
108	R	L	-1.9499
109	T	L	-0.4921
110	V	L	0.9300
111	A	L	0.2347
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128	G	D	-1.0399
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163	V	D	-0.7102
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167	D	D	-2.2621
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169	K	D	-3.0051
170	D	D	-3.1494
171	S	D	-2.3407
172	T	D	-1.8103
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182	S	D	-1.2510
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185	D	D	-2.9368
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198	H	D	0.0000
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203	S	D	-0.6557
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207	K	D	-0.6827
208	S	D	-0.7853
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211	R	D	-2.3678
212	G	D	-2.1685
213	E	D	-2.1844
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