Project name: ecu

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYIFSNYWIQWVRQAPGQGLEWMGEILPGSGSTEYTENFKDRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARYFFGSSPNWYFDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG; C: QVQLVQSGAEVKKPGASVKVSCKASGYIFSNYWIQWVRQAPGQGLEWMGEILPGSGSTEYTENFKDRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARYFFGSSPNWYFDVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS; L: DIQMTQSPSSLSASVGDRVTITCGASENIYGALNWYQQKPGKAPKLLIYGATNLADGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQNVLNTPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; D: DIQMTQSPSSLSASVGDRVTITCGASENIYGALNWYQQKPGKAPKLLIYGATNLADGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQNVLNTPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:30)

• Minimal score value: -4.1045
• Maximal score value: 1.7416
• Average score: -0.7698
• Total score value: -1022.3277

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	Q	H	-1.3974
2	V	H	-0.5622
3	Q	H	-1.2457
4	L	H	0.0000
5	V	H	0.1974
6	Q	H	0.0000
7	S	H	-0.5132
8	G	H	-0.5560
9	A	H	-0.0141
10	E	H	-0.4241
11	V	H	0.4049
12	K	H	-1.1761
13	K	H	-2.2094
14	P	H	-2.0960
15	G	H	-1.5574
16	A	H	-1.0821
17	S	H	-1.2807
18	V	H	0.0000
19	K	H	-1.7389
20	V	H	0.0000
21	S	H	-0.5433
22	C	H	0.0000
23	K	H	-0.9068
24	A	H	0.0000
25	S	H	-0.4743
26	G	H	-0.5322
27	Y	H	0.5178
28	I	H	1.6697
29	F	H	0.0000
30	S	H	-0.2734
31	N	H	-0.5503
32	Y	H	0.1523
33	W	H	-0.0315
34	I	H	0.0000
35	Q	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.4661
40	A	H	-0.8768
41	P	H	-1.1081
42	G	H	-1.3455
43	Q	H	-1.8010
44	G	H	-1.2232
45	L	H	0.0000
46	E	H	-0.7350
47	W	H	0.0000
48	M	H	0.0000
49	G	H	0.0000
50	E	H	0.0000
51	I	H	0.0000
52	L	H	-0.4136
52A	P	H	0.0000
53	G	H	-0.8994
54	S	H	-0.5978
55	G	H	-0.6342
56	S	H	-0.4980
57	T	H	-0.4593
58	E	H	-1.1407
59	Y	H	-1.4925
60	T	H	0.0000
61	E	H	-3.2037
62	N	H	-2.7635
63	F	H	0.0000
64	K	H	-3.3389
65	D	H	-3.0610
66	R	H	-1.9896
67	V	H	0.0000
68	T	H	-1.0730
69	M	H	0.0000
70	T	H	-0.4784
71	R	H	-1.0284
72	D	H	-1.1918
73	T	H	-0.7772
74	S	H	-0.5629
75	T	H	-0.6687
76	S	H	-0.5109
77	T	H	0.0000
78	V	H	0.0000
79	Y	H	-0.6917
80	M	H	0.0000
81	E	H	-1.3538
82	L	H	0.0000
82A	S	H	-1.2746
82B	S	H	-1.3403
82C	L	H	0.0000
83	R	H	-3.0034
84	S	H	-2.3595
85	E	H	-2.5350
86	D	H	0.0000
87	T	H	-0.7704
88	A	H	0.0000
89	V	H	0.4706
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	0.0000
95	Y	H	0.0000
96	F	H	0.9380
97	F	H	1.1122
98	G	H	0.2783
99	S	H	-0.2829
100	S	H	-0.2684
100A	P	H	-0.1768
100B	N	H	0.0000
100C	W	H	1.0658
100D	Y	H	0.0000
100E	F	H	0.0000
101	D	H	-0.2388
102	V	H	-0.3098
103	W	H	0.0000
104	G	H	0.0000
105	Q	H	-1.3840
106	G	H	-0.5793
107	T	H	0.0000
108	L	H	0.7402
109	V	H	0.0000
110	T	H	0.0000
111	V	H	0.0000
112	S	H	-1.2026
113	S	H	-0.7798
114	A	H	-0.6469
115	S	H	-0.6985
116	T	H	-0.7307
117	K	H	-1.3133
118	G	H	-1.4451
119	P	H	-0.7464
120	S	H	-0.1754
121	V	H	0.0000
122	F	H	-0.5358
123	P	H	-1.2166
124	L	H	0.0000
125	A	H	-1.1862
126	P	H	0.0000
127	S	H	-1.2828
128	S	H	-1.1627
129	K	H	-1.8574
130	S	H	-1.3288
131	T	H	-1.0667
132	S	H	-0.8810
133	G	H	-0.8652
134	G	H	-0.8954
135	T	H	-0.5751
136	A	H	-0.4841
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	-0.3755
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	-0.5386
148	E	H	-0.9238
149	P	H	-0.9867
150	V	H	-0.8874
151	T	H	-0.7471
152	V	H	-0.2299
153	S	H	-0.3726
154	W	H	0.0000
155	N	H	-0.7046
156	S	H	-0.5861
157	G	H	-0.5832
158	A	H	-0.2602
159	L	H	-0.0256
160	T	H	-0.2124
161	S	H	-0.2397
162	G	H	-0.3129
163	V	H	0.0676
164	H	H	-0.0796
165	T	H	0.0977
166	F	H	0.0000
167	P	H	-0.1630
168	A	H	0.2652
169	V	H	0.5936
170	L	H	1.4397
171	Q	H	0.4529
172	S	H	-0.0169
173	S	H	-0.1934
174	G	H	-0.0170
175	L	H	0.1333
176	Y	H	0.5874
177	S	H	0.0000
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	-0.1565
184	V	H	0.0000
185	P	H	-0.4491
186	S	H	-0.5838
187	S	H	-0.4862
188	S	H	-0.5995
189	L	H	-0.7218
190	G	H	-0.9827
191	T	H	-0.7913
192	Q	H	-1.4092
193	T	H	-1.2494
194	Y	H	0.0000
195	I	H	-1.1694
196	C	H	0.0000
197	N	H	-1.2943
198	V	H	0.0000
199	N	H	-2.2376
200	H	H	0.0000
201	K	H	-2.9274
202	P	H	-1.7602
203	S	H	-1.9926
204	N	H	-2.6909
205	T	H	-2.2293
206	K	H	-2.6458
207	V	H	-1.1562
208	D	H	-1.7445
209	K	H	-1.6948
210	R	H	-2.6212
211	V	H	0.0000
212	E	H	-3.0516
213	P	H	-2.0786
214	K	H	-2.5771
215	S	H	-1.8456
216	C	H	-1.4371
217	D	H	-3.0442
218	K	H	-3.3249
219	T	H	-2.2749
220	H	H	-2.4966
221	T	H	-1.5841
222	C	H	-0.2526
223	P	H	-0.4368
224	P	H	-0.0865
225	C	H	0.2576
226	P	H	-0.2661
227	A	H	-0.9482
228	P	H	-1.7627
229	E	H	-2.5132
230	A	H	-1.4485
231	A	H	-1.1552
232	G	H	-0.9053
233	G	H	-1.1321
234	P	H	0.0000
235	S	H	-0.1920
236	V	H	0.0000
237	F	H	1.3154
238	L	H	1.0893
239	F	H	1.2860
240	P	H	-0.0618
241	P	H	0.0000
242	K	H	-2.1644
243	P	H	-1.2198
244	K	H	-0.9233
245	D	H	0.0000
246	T	H	0.0000
247	L	H	-0.2232
248	M	H	0.4516
249	I	H	1.3584
250	S	H	-0.0684
251	R	H	-1.5463
252	T	H	-0.8413
253	P	H	0.0000
254	E	H	-1.2752
255	V	H	0.0000
256	T	H	0.5055
257	C	H	0.0000
258	V	H	0.0000
259	V	H	0.0000
260	V	H	-0.8101
261	D	H	-1.8445
262	V	H	0.0000
263	S	H	-1.9150
264	H	H	-2.0361
265	E	H	-2.8178
266	D	H	-2.3230
267	P	H	-2.2719
268	E	H	-2.8918
269	V	H	-1.8441
270	K	H	-2.1449
271	F	H	-1.1820
272	N	H	-1.2985
273	W	H	0.0000
274	Y	H	-1.0831
275	V	H	-0.8922
276	D	H	-1.9557
277	G	H	-0.8432
278	V	H	0.4110
279	E	H	-1.3929
280	V	H	-0.8658
281	H	H	-2.0390
282	N	H	-2.1898
283	A	H	-1.6710
284	K	H	-2.4859
285	T	H	-2.0219
286	K	H	-2.7557
287	P	H	-2.4682
288	R	H	-3.7131
289	E	H	-4.1045
290	E	H	-3.3575
291	Q	H	-1.9551
292	Y	H	0.3092
293	N	H	-0.6435
294	S	H	-0.9110
295	T	H	0.0000
296	Y	H	-2.6333
297	R	H	-3.0248
298	V	H	0.0000
299	V	H	0.0000
300	S	H	0.0000
301	V	H	-0.8504
302	L	H	0.0000
303	T	H	-0.7544
304	V	H	0.0000
305	L	H	-0.0871
306	H	H	-0.6192
307	Q	H	-1.6452
308	D	H	-1.7479
309	W	H	0.0000
310	L	H	-1.2448
311	N	H	-2.1657
312	G	H	-1.9878
313	K	H	-2.0072
314	E	H	-2.1119
315	Y	H	0.0000
316	K	H	-1.4195
317	C	H	0.0000
318	K	H	-1.4051
319	V	H	0.0000
320	S	H	-1.3029
321	N	H	0.0000
322	K	H	-2.5068
323	A	H	-1.7857
324	L	H	0.0000
325	P	H	-0.6697
326	A	H	-0.4926
327	P	H	-0.6127
328	I	H	-0.3745
329	E	H	-1.3780
330	K	H	-0.9284
331	T	H	-0.8049
332	I	H	-0.1431
333	S	H	-1.0389
334	K	H	-1.2756
335	A	H	-1.0095
336	K	H	-2.2466
337	G	H	-1.8020
338	Q	H	-1.8243
339	P	H	-1.7206
340	R	H	-1.8657
341	E	H	-2.4437
342	P	H	0.0000
343	Q	H	-1.2043
344	V	H	0.0000
345	Y	H	0.0000
346	T	H	0.0000
347	L	H	0.0000
348	P	H	-0.4175
349	P	H	-0.9249
350	S	H	-1.5513
351	R	H	-2.7147
352	E	H	-2.8768
353	E	H	0.0000
354	M	H	-1.9402
355	T	H	-1.6895
356	K	H	-2.3050
357	N	H	-2.5982
358	Q	H	-2.4290
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	-0.4664
367	G	H	-0.9460
368	F	H	0.0000
369	Y	H	-0.8317
370	P	H	0.0000
371	S	H	-0.1695
372	D	H	-0.9585
373	I	H	-0.5263
374	A	H	-0.3957
375	V	H	-0.2646
376	E	H	-1.0242
377	W	H	0.0000
378	E	H	-1.5660
379	S	H	0.0000
380	N	H	-1.8138
381	G	H	-1.8601
382	Q	H	-2.2956
383	P	H	-2.0035
384	E	H	-1.9936
385	N	H	-2.3645
386	N	H	-2.0984
387	Y	H	-1.3057
388	K	H	-1.1098
389	T	H	-0.3599
390	T	H	0.0000
391	P	H	-0.1056
392	P	H	0.1904
393	V	H	0.5920
394	L	H	0.9071
395	D	H	-0.3740
396	S	H	-1.0709
397	D	H	-1.7709
398	G	H	-0.7000
399	S	H	0.0000
400	F	H	0.3247
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	-1.1435
408	V	H	0.0000
409	D	H	-2.6667
410	K	H	-2.6966
411	S	H	-2.3142
412	R	H	-2.0609
413	W	H	0.0000
414	Q	H	-2.4294
415	Q	H	-2.1533
416	G	H	-1.2332
417	N	H	-0.6625
418	V	H	0.6507
419	F	H	0.0000
420	S	H	-0.6175
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	-1.2403
427	A	H	-1.5752
428	L	H	-1.5985
429	H	H	-1.9126
430	N	H	-1.8403
431	H	H	-1.4376
432	Y	H	-0.5911
433	T	H	-0.7708
434	Q	H	-1.0195
435	K	H	-0.9407
436	S	H	-0.3345
437	L	H	0.0000
438	S	H	-0.0258
439	L	H	-0.3181
440	S	H	-0.4697
441	P	H	-0.5158
442	G	H	-0.8647
1	D	L	-2.3723
2	I	L	-1.8041
3	Q	L	-1.9334
4	M	L	0.0000
5	T	L	-0.8419
6	Q	L	0.0000
7	S	L	-0.4102
8	P	L	-0.5146
9	S	L	-0.7246
10	S	L	-0.5573
11	L	L	-0.2260
12	S	L	-0.4729
13	A	L	0.0000
14	S	L	-1.1776
15	V	L	-0.7522
16	G	L	-1.1533
17	D	L	-2.0156
18	R	L	-2.5078
19	V	L	0.0000
20	T	L	-0.6536
21	I	L	0.0000
22	T	L	-0.5833
23	C	L	0.0000
24	G	L	-1.3910
25	A	L	-1.5616
26	S	L	-2.0051
27	E	L	-2.6075
28	N	L	-1.4213
29	I	L	0.0000
30	Y	L	0.9114
31	G	L	0.2827
32	A	L	0.5105
33	L	L	0.0000
34	N	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	-1.7304
40	P	L	-1.4736
41	G	L	-1.6301
42	K	L	-2.6176
43	A	L	-1.7124
44	P	L	0.0000
45	K	L	-1.5843
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.2121
50	G	L	0.1323
51	A	L	0.0000
52	T	L	-0.4454
53	N	L	-0.5452
54	L	L	-0.2268
55	A	L	0.0000
56	D	L	-1.9459
57	G	L	-1.2046
58	V	L	-0.7367
59	P	L	-0.5015
60	S	L	-0.3518
61	R	L	-0.7825
62	F	L	0.0000
63	S	L	-0.3483
64	G	L	-0.3523
65	S	L	-0.8304
66	G	L	-0.9511
67	S	L	-0.7792
68	G	L	-1.0383
69	T	L	-1.6382
70	D	L	-2.3580
71	F	L	0.0000
72	T	L	-0.6678
73	L	L	0.0000
74	T	L	-0.6301
75	I	L	0.0000
76	S	L	-1.4136
77	S	L	-1.3503
78	L	L	0.0000
79	Q	L	-1.3287
80	P	L	-1.1559
81	E	L	-1.7509
82	D	L	0.0000
83	F	L	-0.6737
84	A	L	0.0000
85	T	L	-0.6633
86	Y	L	0.0000
87	Y	L	0.0000
88	C	L	0.0000
89	Q	L	0.0000
90	N	L	0.0000
91	V	L	0.0000
92	L	L	0.2109
93	N	L	-1.2880
94	T	L	-1.2171
95	P	L	-1.2713
96	L	L	0.0000
97	T	L	-0.6952
98	F	L	-0.4106
99	G	L	0.0000
100	Q	L	-1.5286
101	G	L	0.0000
102	T	L	0.0000
103	K	L	-1.1220
104	V	L	0.0000
105	E	L	0.0000
106	I	L	0.0000
107	K	L	-1.6541
108	R	L	-2.0401
109	T	L	-0.4613
110	V	L	1.0132
111	A	L	0.2788
112	A	L	0.0430
113	P	L	0.0000
114	S	L	-0.1869
115	V	L	0.0000
116	F	L	-0.0591
117	I	L	0.1643
118	F	L	0.0000
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128	G	D	-1.0950
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133	V	D	0.0000
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136	L	D	0.0000
137	N	D	0.0000
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150	V	D	0.0000
151	D	D	-1.8482
152	N	D	-1.5478
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162	S	D	-0.7005
163	V	D	-0.5514
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165	E	D	-2.0640
166	Q	D	-1.9244
167	D	D	-2.3236
168	S	D	-2.2101
169	K	D	-2.9549
170	D	D	-3.0025
171	S	D	-2.3369
172	T	D	-1.4448
173	Y	D	0.0000
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176	S	D	0.0000
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184	A	D	-2.0753
185	D	D	-3.1956
186	Y	D	0.0000
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190	K	D	-3.1024
191	V	D	-1.7374
192	Y	D	0.0000
193	A	D	-0.8890
194	C	D	0.0000
195	E	D	-1.1325
196	V	D	0.0000
197	T	D	-1.3128
198	H	D	0.0000
199	Q	D	-1.3485
200	G	D	-0.2132
201	L	D	-0.2631
202	S	D	-0.6120
203	S	D	-0.6494
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205	V	D	-0.0862
206	T	D	-0.5678
207	K	D	-0.6362
208	S	D	-0.7572
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210	N	D	-2.0556
211	R	D	-2.2215
212	G	D	-2.1027
213	E	D	-2.0589
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