Project name: adu

Chain sequence(s)	H: QVQLVESGGGVVQPGRSLRLSCAASGFAFSSYGMHWVRQAPGKGLEWVAVIWFDGTKKYYTDSVKGRFTISRDNSKNTLYLQMNTLRAEDTAVYYCARDRGIGARRGPYYMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPG; C: QVQLVESGGGVVQPGRSLRLSCAASGFAFSSYGMHWVRQAPGKGLEWVAVIWFDGTKKYYTDSVKGRFTISRDNSKNTLYLQMNTLRAEDTAVYYCARDRGIGARRGPYYMDVWGKGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS; L: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; D: DIQMTQSPSSLSASVGDRVTITCRASQSISSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYSTPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
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                                          (00:15:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:46)

• Minimal score value: -4.0339
• Maximal score value: 1.655
• Average score: -0.7752
• Total score value: -1032.5823

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	-1.1209
2	V	H	-0.2365
3	Q	H	-0.7013
4	L	H	0.0000
5	V	H	0.1267
6	E	H	0.0000
7	S	H	-0.5978
8	G	H	-0.8206
9	G	H	-0.2669
10	G	H	0.5150
11	V	H	1.4058
12	V	H	0.0000
13	Q	H	-1.3254
14	P	H	-1.7346
15	G	H	-1.9491
16	R	H	-2.6069
17	S	H	-1.8139
18	L	H	-1.0085
19	R	H	-1.4565
20	L	H	0.0000
21	S	H	-0.3676
22	C	H	0.0000
23	A	H	-0.2772
24	A	H	0.0000
25	S	H	-0.6337
26	G	H	-0.6569
27	F	H	-0.1397
28	A	H	-0.0578
29	F	H	0.0000
30	S	H	-0.6020
31	S	H	-0.3040
32	Y	H	-0.1687
33	G	H	-0.5022
34	M	H	0.0000
35	H	H	0.0000
36	W	H	0.0000
37	V	H	0.0000
38	R	H	0.0000
39	Q	H	-0.9012
40	A	H	-1.2774
41	P	H	-0.9852
42	G	H	-1.5123
43	K	H	-2.3034
44	G	H	-1.5115
45	L	H	0.0000
46	E	H	-1.3191
47	W	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	V	H	0.0000
51	I	H	0.0000
52	W	H	0.0000
52A	F	H	-0.4387
53	D	H	-1.4257
54	G	H	-1.3404
55	T	H	-1.2367
56	K	H	-1.8931
57	K	H	-1.3296
58	Y	H	-0.6212
59	Y	H	-0.8294
60	T	H	0.0000
61	D	H	-2.5837
62	S	H	-1.8212
63	V	H	0.0000
64	K	H	-2.5289
65	G	H	-1.7343
66	R	H	-1.2865
67	F	H	0.0000
68	T	H	-0.7759
69	I	H	0.0000
70	S	H	-0.4980
71	R	H	-1.1322
72	D	H	-1.9384
73	N	H	-1.8971
74	S	H	-1.7160
75	K	H	-2.4641
76	N	H	-1.8379
77	T	H	-1.1554
78	L	H	0.0000
79	Y	H	-0.4001
80	L	H	0.0000
81	Q	H	-0.8656
82	M	H	0.0000
82A	N	H	-1.6184
82B	T	H	-1.5436
82C	L	H	0.0000
83	R	H	-2.1181
84	A	H	-1.5053
85	E	H	-2.1343
86	D	H	0.0000
87	T	H	-0.5680
88	A	H	0.0000
89	V	H	0.0280
90	Y	H	0.0000
91	Y	H	0.0000
92	C	H	0.0000
93	A	H	0.0000
94	R	H	-0.2709
95	D	H	0.0000
96	R	H	-0.5415
97	G	H	0.0000
98	I	H	-0.3947
99	G	H	-0.9492
100	A	H	-1.1597
100A	R	H	-2.2345
100B	R	H	-1.5780
100C	G	H	-0.8138
100D	P	H	0.0000
100E	Y	H	0.2338
100F	Y	H	0.0000
100G	M	H	0.0000
101	D	H	-0.6337
102	V	H	-0.2665
103	W	H	-0.4013
104	G	H	0.0000
105	K	H	-1.9486
106	G	H	-0.9546
107	T	H	0.0000
108	T	H	0.1365
109	V	H	0.0000
110	T	H	0.1286
111	V	H	0.0000
112	S	H	-0.4615
113	S	H	-0.3484
114	A	H	-0.2999
115	S	H	-0.3983
116	T	H	-0.6600
117	K	H	-1.4374
118	G	H	-1.4563
119	P	H	-0.8174
120	S	H	-0.1866
121	V	H	0.0000
122	F	H	-0.5370
123	P	H	-1.2196
124	L	H	0.0000
125	A	H	-1.1940
126	P	H	0.0000
127	S	H	-1.3384
128	S	H	-1.2144
129	K	H	-1.9561
130	S	H	-1.3652
131	T	H	-1.0815
132	S	H	-0.8886
133	G	H	-0.8652
134	G	H	-0.8953
135	T	H	-0.5750
136	A	H	-0.4891
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	-0.4476
145	Y	H	0.0000
146	F	H	0.0000
147	P	H	-0.7620
148	E	H	-1.5069
149	P	H	-1.3016
150	V	H	-1.0382
151	T	H	-0.7979
152	V	H	-0.2217
153	S	H	-0.3692
154	W	H	0.0000
155	N	H	-0.7050
156	S	H	-0.5852
157	G	H	-0.5823
158	A	H	-0.2590
159	L	H	-0.0253
160	T	H	-0.2104
161	S	H	-0.2365
162	G	H	-0.3048
163	V	H	0.0684
164	H	H	-0.1457
165	T	H	0.0428
166	F	H	0.0000
167	P	H	-0.4022
168	A	H	-0.0242
169	V	H	0.1178
170	L	H	0.7793
171	Q	H	0.0467
172	S	H	-0.1185
173	S	H	-0.2339
174	G	H	-0.0373
175	L	H	-0.0726
176	Y	H	0.2514
177	S	H	-0.0061
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	-0.1479
184	V	H	0.0000
185	P	H	-0.4458
186	S	H	-0.5901
187	S	H	-0.4819
188	S	H	-0.5874
189	L	H	-0.7115
190	G	H	-0.9731
191	T	H	-0.7737
192	Q	H	-1.3730
193	T	H	-1.2307
194	Y	H	0.0000
195	I	H	-1.1815
196	C	H	0.0000
197	N	H	-1.2812
198	V	H	0.0000
199	N	H	-2.2127
200	H	H	0.0000
201	K	H	-3.0187
202	P	H	-1.9121
203	S	H	-2.0625
204	N	H	-2.7060
205	T	H	-2.2375
206	K	H	-2.6312
207	V	H	-1.1419
208	D	H	-1.7200
209	K	H	-1.6890
210	R	H	-2.6238
211	V	H	0.0000
212	E	H	-3.0477
213	P	H	-2.0809
214	K	H	-2.5556
215	S	H	-1.7768
216	C	H	-1.3933
217	D	H	-2.9579
218	K	H	-3.2932
219	T	H	-2.2694
220	H	H	-2.4861
221	T	H	-1.5918
222	C	H	-0.2522
223	P	H	-0.4439
224	P	H	-0.0829
225	C	H	0.2561
226	P	H	-0.2666
227	A	H	-0.9509
228	P	H	-1.7610
229	E	H	-2.5115
230	A	H	-1.4512
231	A	H	-1.1544
232	G	H	-0.9042
233	G	H	-1.1196
234	P	H	0.0000
235	S	H	-0.1936
236	V	H	0.0000
237	F	H	1.3269
238	L	H	1.0641
239	F	H	1.2507
240	P	H	-0.0339
241	P	H	0.0000
242	K	H	-2.1743
243	P	H	-1.2084
244	K	H	-0.9407
245	D	H	0.0000
246	T	H	0.0000
247	L	H	-0.1902
248	M	H	0.4516
249	I	H	1.3547
250	S	H	-0.0780
251	R	H	-1.5702
252	T	H	-0.8450
253	P	H	0.0000
254	E	H	-1.3108
255	V	H	0.0000
256	T	H	0.4614
257	C	H	0.0000
258	V	H	0.0000
259	V	H	0.0000
260	V	H	-0.7613
261	D	H	-1.8211
262	V	H	0.0000
263	S	H	-1.8890
264	H	H	-1.9971
265	E	H	-2.7856
266	D	H	-2.2721
267	P	H	-2.2240
268	E	H	-2.8688
269	V	H	-1.8065
270	K	H	-2.1248
271	F	H	-1.1600
272	N	H	-1.3286
273	W	H	0.0000
274	Y	H	-1.1390
275	V	H	-0.9284
276	D	H	-1.9676
277	G	H	-0.8578
278	V	H	0.4047
279	E	H	-1.4179
280	V	H	-0.9010
281	H	H	-2.0558
282	N	H	-2.2181
283	A	H	-1.7237
284	K	H	-2.5283
285	T	H	-2.0352
286	K	H	-2.7511
287	P	H	-2.4106
288	R	H	-3.6061
289	E	H	-4.0339
290	E	H	-3.3336
291	Q	H	-1.9558
292	Y	H	0.2894
293	N	H	-0.6664
294	S	H	-0.9198
295	T	H	0.0000
296	Y	H	-2.5546
297	R	H	-2.8718
298	V	H	0.0000
299	V	H	-1.2476
300	S	H	0.0000
301	V	H	0.0000
302	L	H	0.0000
303	T	H	-0.7891
304	V	H	0.0000
305	L	H	-0.0413
306	H	H	-0.5550
307	Q	H	-1.5747
308	D	H	-1.6677
309	W	H	0.0000
310	L	H	-0.9668
311	N	H	-2.0425
312	G	H	-1.8847
313	K	H	-1.9812
314	E	H	-2.1782
315	Y	H	0.0000
316	K	H	-1.5412
317	C	H	0.0000
318	K	H	-1.4525
319	V	H	0.0000
320	S	H	-1.3087
321	N	H	0.0000
322	K	H	-2.4941
323	A	H	-1.7669
324	L	H	0.0000
325	P	H	-0.6708
326	A	H	-0.4917
327	P	H	-0.6201
328	I	H	-0.3841
329	E	H	-1.4266
330	K	H	-0.9728
331	T	H	-0.8735
332	I	H	-0.1591
333	S	H	-0.9552
334	K	H	0.0000
335	A	H	-0.8549
336	K	H	-2.1624
337	G	H	-1.7729
338	Q	H	-1.8145
339	P	H	-1.6824
340	R	H	-1.8041
341	E	H	-2.3648
342	P	H	0.0000
343	Q	H	-0.9920
344	V	H	0.0000
345	Y	H	0.0000
346	T	H	0.0000
347	L	H	0.0000
348	P	H	-0.4018
349	P	H	-0.8763
350	S	H	-1.4279
351	R	H	-2.5268
352	E	H	-2.4715
353	E	H	0.0000
354	M	H	-1.8528
355	T	H	-1.5944
356	K	H	-2.2998
357	N	H	-2.7578
358	Q	H	-2.7886
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	-0.3698
367	G	H	-0.8672
368	F	H	0.0000
369	Y	H	-0.7935
370	P	H	0.0000
371	S	H	-0.1082
372	D	H	-0.8360
373	I	H	0.0000
374	A	H	0.0000
375	V	H	-0.2313
376	E	H	-0.8720
377	W	H	0.0000
378	E	H	-1.5465
379	S	H	0.0000
380	N	H	-1.8129
381	G	H	-1.8628
382	Q	H	-2.2988
383	P	H	-1.9777
384	E	H	-1.9585
385	N	H	-2.3194
386	N	H	-2.0366
387	Y	H	-1.2417
388	K	H	-1.0860
389	T	H	-0.3498
390	T	H	0.0000
391	P	H	-0.1101
392	P	H	0.2070
393	V	H	0.6494
394	L	H	1.0150
395	D	H	-0.3090
396	S	H	-1.0448
397	D	H	-1.7678
398	G	H	-0.6991
399	S	H	0.0000
400	F	H	0.3672
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	-1.2498
408	V	H	0.0000
409	D	H	-3.0471
410	K	H	-2.8403
411	S	H	-2.3603
412	R	H	-2.1447
413	W	H	0.0000
414	Q	H	-2.4100
415	Q	H	-2.1100
416	G	H	-1.1918
417	N	H	-0.6220
418	V	H	0.6684
419	F	H	0.0000
420	S	H	-0.5990
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	-1.1392
427	A	H	-1.5604
428	L	H	-1.5684
429	H	H	-1.9243
430	N	H	-1.8597
431	H	H	-1.4938
432	Y	H	-0.5937
433	T	H	-0.7167
434	Q	H	-0.9165
435	K	H	-0.9542
436	S	H	-0.3499
437	L	H	0.0000
438	S	H	0.0195
439	L	H	-0.2323
440	S	H	-0.4280
441	P	H	-0.4937
442	G	H	-0.8488
1	D	L	-2.4872
2	I	L	0.0000
3	Q	L	-2.2216
4	M	L	0.0000
5	T	L	-1.2720
6	Q	L	-0.9624
7	S	L	-0.8238
8	P	L	-0.6224
9	S	L	-0.8075
10	S	L	-0.8953
11	L	L	-0.4598
12	S	L	-0.9493
13	A	L	0.0000
14	S	L	-0.3121
15	V	L	0.7071
16	G	L	-0.3236
17	D	L	-1.1288
18	R	L	-2.0816
19	V	L	0.0000
20	T	L	-0.5272
21	I	L	0.0000
22	T	L	-0.8039
23	C	L	0.0000
24	R	L	-2.4028
25	A	L	0.0000
26	S	L	-1.9940
27	Q	L	-2.1266
28	S	L	-0.9851
29	I	L	0.0000
30	S	L	-0.2315
31	S	L	-0.0945
32	Y	L	0.6988
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	-1.7519
40	P	L	-1.5868
41	G	L	-1.7191
42	K	L	-2.6948
43	A	L	-1.7678
44	P	L	0.0000
45	K	L	-1.4761
46	L	L	0.0000
47	L	L	0.0000
48	I	L	0.0000
49	Y	L	0.2801
50	A	L	0.1364
51	A	L	0.0000
52	S	L	-0.2057
53	S	L	0.0956
54	L	L	0.3878
55	Q	L	-0.1972
56	S	L	-0.3610
57	G	L	-0.4679
58	V	L	-0.2757
59	P	L	-0.2819
60	S	L	-0.3521
61	R	L	-0.6728
62	F	L	0.0000
63	S	L	-0.2698
64	G	L	-0.2533
65	S	L	-0.6801
66	G	L	-1.0187
67	S	L	-0.9123
68	G	L	-1.0359
69	T	L	-1.5935
70	D	L	-2.0561
71	F	L	0.0000
72	T	L	-0.7015
73	L	L	0.0000
74	T	L	-0.5900
75	I	L	0.0000
76	S	L	-1.1491
77	S	L	-0.9236
78	L	L	0.0000
79	Q	L	-0.9424
80	P	L	-0.7823
81	E	L	-1.8674
82	D	L	0.0000
83	F	L	-0.4989
84	A	L	0.0000
85	T	L	0.0000
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	S	L	0.0000
92	Y	L	1.1196
93	S	L	0.1071
94	T	L	-0.0598
95	P	L	-0.7220
96	L	L	0.0000
97	T	L	-0.7226
98	F	L	0.0000
99	G	L	0.0000
100	G	L	-1.2750
101	G	L	-0.9979
102	T	L	0.0000
103	K	L	-1.3982
104	V	L	0.0000
105	E	L	-1.0445
106	I	L	-0.5175
107	K	L	-1.7529
108	R	L	-2.2322
109	T	L	-0.9676
110	V	L	-0.3938
111	A	L	-0.3598
112	A	L	-0.1806
113	P	L	0.0000
114	S	L	-0.1867
115	V	L	0.0000
116	F	L	-0.0666
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113	P	D	0.0000
114	S	D	-0.2815
115	V	D	0.0000
116	F	D	0.0000
117	I	D	0.0000
118	F	D	0.0000
119	P	D	-0.8010
120	P	D	0.0000
121	S	D	-1.0257
122	D	D	-2.1147
123	E	D	-1.8053
124	Q	D	0.0000
125	L	D	-1.7739
126	K	D	-2.3831
127	S	D	-1.5011
128	G	D	-1.0111
129	T	D	-0.8906
130	A	D	0.0000
131	S	D	0.0000
132	V	D	0.0000
133	V	D	0.0000
134	C	D	0.0000
135	L	D	0.0000
136	L	D	0.0000
137	N	D	-0.3937
138	N	D	-0.8906
139	F	D	0.0000
140	Y	D	0.0000
141	P	D	-1.7260
142	R	D	-3.1417
143	E	D	-3.0930
144	A	D	-2.0817
145	K	D	-1.8310
146	V	D	-0.9076
147	Q	D	-0.6998
148	W	D	0.0000
149	K	D	-0.7136
150	V	D	0.0000
151	D	D	-1.7128
152	N	D	-1.4578
153	A	D	-0.2824
154	L	D	0.7275
155	Q	D	-0.4999
156	S	D	-0.7586
157	G	D	-1.3238
158	N	D	-1.6309
159	S	D	-1.6882
160	Q	D	-1.9508
161	E	D	-2.2614
162	S	D	-0.9579
163	V	D	-1.0911
164	T	D	-1.2112
165	E	D	-2.3106
166	Q	D	-1.9687
167	D	D	-1.9240
168	S	D	-1.8836
169	K	D	-2.4024
170	D	D	-1.8343
171	S	D	0.0000
172	T	D	0.0000
173	Y	D	0.0000
174	S	D	0.0000
175	L	D	0.0000
176	S	D	0.0000
177	S	D	0.0000
178	T	D	0.0000
179	L	D	0.0000
180	T	D	-0.5481
181	L	D	-0.8259
182	S	D	-1.2981
183	K	D	-2.3485
184	A	D	-2.0180
185	D	D	-3.1171
186	Y	D	0.0000
187	E	D	-3.8092
188	K	D	-3.7354
189	H	D	-3.0664
190	K	D	-2.9643
191	V	D	-1.5948
192	Y	D	0.0000
193	A	D	-0.7818
194	C	D	0.0000
195	E	D	-0.7505
196	V	D	0.0000
197	T	D	-1.0172
198	H	D	0.0000
199	Q	D	-1.6176
200	G	D	-0.4067
201	L	D	-0.3740
202	S	D	-0.6480
203	S	D	-0.6535
204	P	D	-0.4808
205	V	D	-0.0268
206	T	D	-0.4990
207	K	D	-0.7791
208	S	D	-0.8053
209	F	D	0.0000
210	N	D	-2.0020
211	R	D	-2.1488
212	G	D	-2.0868
213	E	D	-2.1443
214	C	D	-0.9141