Project name: mAb25

Chain sequence(s)	A: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK; C: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS; B: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC; D: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
Selected Chain(s)	A,B,C,D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:13)

• Minimal score value: -4.0848
• Maximal score value: 2.1561
• Average score: -0.7762
• Total score value: -1028.4626

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	A	-2.1771
2	V	A	-1.4267
3	Q	A	-1.5003
4	L	A	0.0000
5	V	A	0.4447
6	E	A	0.0000
7	S	A	-0.4221
8	G	A	-0.8249
9	G	A	-0.1443
10	G	A	0.2864
11	L	A	0.4858
12	V	A	-0.5421
13	Q	A	-1.5494
14	P	A	-1.8002
15	G	A	-1.5131
16	G	A	-1.1191
17	S	A	-1.0858
18	L	A	-1.1190
19	R	A	-2.0377
20	L	A	0.0000
21	S	A	-0.4281
22	C	A	0.0000
23	A	A	-0.2109
24	A	A	0.0000
25	S	A	-0.9973
26	G	A	-1.4015
27	F	A	-1.1135
28	N	A	-1.5069
29	I	A	0.0000
30	K	A	-2.4924
31	D	A	-2.7153
32	T	A	0.0000
33	Y	A	-0.1156
34	I	A	0.0000
35	H	A	0.0000
36	W	A	0.0000
37	V	A	0.0000
38	R	A	0.0000
39	Q	A	-0.7803
40	A	A	-1.0824
41	P	A	-0.8266
42	G	A	-1.4781
43	K	A	-2.4541
44	G	A	-1.7531
45	L	A	0.0000
46	E	A	-1.2672
47	W	A	0.0000
48	V	A	0.0000
49	A	A	0.0000
50	R	A	-0.3589
51	I	A	0.0000
52	Y	A	-0.2550
52A	P	A	-0.9467
53	T	A	-1.1150
54	N	A	-0.7998
55	G	A	-0.1963
56	Y	A	0.6965
57	T	A	-0.0944
58	R	A	-1.2765
59	Y	A	0.0000
60	A	A	-1.8563
61	D	A	-2.7250
62	S	A	-1.8367
63	V	A	0.0000
64	K	A	-2.8809
65	G	A	-1.7955
66	R	A	-1.4949
67	F	A	0.0000
68	T	A	-0.9840
69	I	A	0.0000
70	S	A	-0.1809
71	A	A	-0.9032
72	D	A	-1.7098
73	T	A	-1.6872
74	S	A	-1.5830
75	K	A	-2.2456
76	N	A	-1.8131
77	T	A	-0.9157
78	A	A	0.0000
79	Y	A	-0.4494
80	L	A	0.0000
81	Q	A	-1.0664
82	M	A	0.0000
82A	N	A	-1.3745
82B	S	A	-1.3240
82C	L	A	0.0000
83	R	A	-2.8024
84	A	A	-1.9647
85	E	A	-2.4480
86	D	A	0.0000
87	T	A	-0.5293
88	A	A	0.0000
89	V	A	0.6117
90	Y	A	0.0000
91	Y	A	0.0000
92	C	A	0.0000
93	S	A	0.0000
94	R	A	-0.0261
95	W	A	0.0000
96	G	A	-0.5184
97	G	A	-1.2357
98	D	A	-2.1316
99	G	A	-1.0543
100	F	A	-0.2061
100A	Y	A	0.4410
100B	A	A	0.0000
100C	M	A	0.0000
101	D	A	-0.1594
102	Y	A	-0.2923
103	W	A	-0.3965
104	G	A	0.0000
105	Q	A	-1.4785
106	G	A	0.0000
107	T	A	0.4948
108	L	A	1.4984
109	V	A	0.0000
110	T	A	-0.1095
111	V	A	0.0000
112	S	A	-0.9796
113	S	A	-0.4971
114	A	A	-0.4015
115	S	A	-0.6229
116	T	A	-0.7128
117	K	A	-1.4498
118	G	A	-1.4563
119	P	A	-0.7634
120	S	A	-0.1909
121	V	A	0.0000
122	F	A	-0.5172
123	P	A	-1.2273
124	L	A	0.0000
125	A	A	-1.2126
126	P	A	-1.0632
127	S	A	-1.3904
128	S	A	-1.2403
129	K	A	-1.9641
130	S	A	-1.3721
131	T	A	-1.0856
132	S	A	-0.8885
133	G	A	-0.8651
134	G	A	-0.8992
135	T	A	-0.5901
136	A	A	-0.5158
137	A	A	0.0000
138	L	A	0.0000
139	G	A	0.0000
140	C	A	0.0000
141	L	A	0.0000
142	V	A	0.0000
143	K	A	0.0000
144	D	A	-0.5012
145	Y	A	0.0000
146	F	A	0.0000
147	P	A	-0.8959
148	E	A	-1.3850
149	P	A	-1.1978
150	V	A	-0.9039
151	T	A	-0.6596
152	V	A	-0.1144
153	S	A	-0.3014
154	W	A	0.0000
155	N	A	-0.7077
156	S	A	-0.5715
157	G	A	-0.5828
158	A	A	-0.2681
159	L	A	-0.0397
160	T	A	-0.2107
161	S	A	-0.2277
162	G	A	-0.2808
163	V	A	0.0897
164	H	A	-0.1204
165	T	A	0.0384
166	F	A	0.0000
167	P	A	-0.3499
168	A	A	0.0374
169	V	A	0.3519
170	L	A	1.0581
171	Q	A	0.2530
172	S	A	-0.0792
173	S	A	-0.2430
174	G	A	-0.0392
175	L	A	0.0012
176	Y	A	0.3484
177	S	A	0.1231
178	L	A	0.0000
179	S	A	0.0000
180	S	A	0.0000
181	V	A	0.0000
182	V	A	0.0000
183	T	A	-0.1400
184	V	A	0.0000
185	P	A	-0.4790
186	S	A	-0.6312
187	S	A	-0.5168
188	S	A	-0.6370
189	L	A	-0.7942
190	G	A	-1.0172
191	T	A	-0.8133
192	Q	A	-1.4310
193	T	A	-1.2614
194	Y	A	0.0000
195	I	A	-1.2026
196	C	A	0.0000
197	N	A	-1.1707
198	V	A	0.0000
199	N	A	-1.8247
200	H	A	0.0000
201	K	A	-2.8918
202	P	A	-1.8052
203	S	A	-2.0111
204	N	A	-2.6352
205	T	A	-2.1363
206	K	A	-2.4706
207	V	A	-1.0426
208	D	A	-1.6700
209	K	A	-1.7853
210	R	A	-2.6698
211	V	A	0.0000
212	E	A	-3.1011
213	P	A	-2.1280
214	K	A	-2.5879
215	S	A	-1.8112
216	C	A	-1.3756
217	D	A	-2.9764
218	K	A	-3.3253
219	T	A	-2.3117
220	H	A	-2.5033
221	T	A	-1.6070
222	C	A	-0.2159
223	P	A	-0.4186
224	P	A	-0.0483
225	C	A	0.2669
226	P	A	-0.2639
227	A	A	-0.9569
228	P	A	-1.1833
229	E	A	-1.3609
230	L	A	1.1826
231	L	A	1.3939
232	G	A	0.1492
233	G	A	-0.3015
234	P	A	0.0000
235	S	A	0.1353
236	V	A	0.0000
237	F	A	1.3495
238	L	A	1.0931
239	F	A	1.2801
240	P	A	-0.0547
241	P	A	0.0000
242	K	A	-2.1897
243	P	A	-1.2950
244	K	A	-1.0494
245	D	A	0.0000
246	T	A	0.0000
247	L	A	0.0000
248	M	A	0.2702
249	I	A	1.2432
250	S	A	-0.1499
251	R	A	-1.6389
252	T	A	-0.7585
253	P	A	0.0000
254	E	A	-1.1094
255	V	A	0.0000
256	T	A	0.5528
257	C	A	0.0000
258	V	A	0.0000
259	V	A	0.0000
260	V	A	-0.6198
261	D	A	-1.1595
262	V	A	0.0000
263	S	A	-1.6959
264	H	A	-1.9926
265	E	A	-2.8536
266	D	A	-2.4219
267	P	A	-2.2717
268	E	A	-2.9123
269	V	A	-1.8313
270	K	A	-2.1221
271	F	A	-1.1593
272	N	A	-1.1979
273	W	A	0.0000
274	Y	A	-0.9383
275	V	A	-0.8554
276	D	A	-2.0472
277	G	A	-0.7980
278	V	A	0.6037
279	E	A	-0.9329
280	V	A	-0.6618
281	H	A	-1.9466
282	N	A	-2.1500
283	A	A	-1.6762
284	K	A	-2.4527
285	T	A	-1.9447
286	K	A	-2.6364
287	P	A	-2.3877
288	R	A	-3.6395
289	E	A	-4.0848
290	E	A	-3.4033
291	Q	A	-2.0294
292	Y	A	0.2252
293	N	A	-0.7029
294	S	A	-0.9151
295	T	A	0.0000
296	Y	A	-2.5631
297	R	A	-2.9313
298	V	A	0.0000
299	V	A	-1.2034
300	S	A	0.0000
301	V	A	-0.7948
302	L	A	0.0000
303	T	A	-0.5788
304	V	A	0.0000
305	L	A	0.5449
306	H	A	-0.3230
307	Q	A	-1.4139
308	D	A	-1.5057
309	W	A	0.0000
310	L	A	-1.1286
311	N	A	-2.0957
312	G	A	-2.0369
313	K	A	-2.0268
314	E	A	-2.2905
315	Y	A	0.0000
316	K	A	-1.4744
317	C	A	0.0000
318	K	A	-1.4618
319	V	A	0.0000
320	S	A	-1.3037
321	N	A	0.0000
322	K	A	-2.5266
323	A	A	-1.6423
324	L	A	0.0000
325	P	A	-0.6635
326	A	A	-0.4841
327	P	A	-0.6136
328	I	A	-0.3999
329	E	A	-1.4495
330	K	A	-0.9632
331	T	A	-0.8744
332	I	A	-0.1925
333	S	A	-1.1134
334	K	A	-1.2980
335	A	A	-1.0104
336	K	A	-2.2402
337	G	A	-1.7844
338	Q	A	-1.8176
339	P	A	-1.7051
340	R	A	-1.8662
341	E	A	-2.4176
342	P	A	0.0000
343	Q	A	-1.2975
344	V	A	0.0000
345	Y	A	0.0000
346	T	A	0.0000
347	L	A	0.0000
348	P	A	-0.4354
349	P	A	-0.8876
350	S	A	0.0000
351	R	A	-2.5099
352	E	A	-2.4448
353	E	A	0.0000
354	M	A	-1.8977
355	T	A	-1.7028
356	K	A	-2.4976
357	N	A	-2.8068
358	Q	A	-2.7617
359	V	A	0.0000
360	S	A	0.0000
361	L	A	0.0000
362	T	A	0.0000
363	C	A	0.0000
364	L	A	0.0000
365	V	A	0.0000
366	K	A	-0.4536
367	G	A	-0.9423
368	F	A	0.0000
369	Y	A	-0.8209
370	P	A	0.0000
371	S	A	-0.1456
372	D	A	-0.9924
373	I	A	-0.5405
374	A	A	-0.4169
375	V	A	-0.2228
376	E	A	-0.9467
377	W	A	0.0000
378	E	A	-1.5557
379	S	A	0.0000
380	N	A	-1.7993
381	G	A	-1.8660
382	Q	A	-2.3053
383	P	A	-2.0050
384	E	A	-2.0063
385	N	A	-2.3670
386	N	A	-2.0992
387	Y	A	-1.2913
388	K	A	-1.0954
389	T	A	-0.3488
390	T	A	0.0000
391	P	A	-0.0927
392	P	A	0.2283
393	V	A	0.6676
394	L	A	1.0816
395	D	A	-0.3537
396	S	A	-1.0793
397	D	A	-1.7712
398	G	A	-0.6981
399	S	A	0.0000
400	F	A	0.3733
401	F	A	0.0000
402	L	A	0.0000
403	Y	A	0.0000
404	S	A	0.0000
405	K	A	0.0000
406	L	A	0.0000
407	T	A	-1.2160
408	V	A	0.0000
409	D	A	-2.7430
410	K	A	-2.6812
411	S	A	-2.1789
412	R	A	-1.8907
413	W	A	0.0000
414	Q	A	-2.5538
415	Q	A	-2.3601
416	G	A	-1.4914
417	N	A	-0.6898
418	V	A	0.7690
419	F	A	0.0000
420	S	A	-0.5905
421	C	A	0.0000
422	S	A	0.0000
423	V	A	0.0000
424	M	A	0.0000
425	H	A	0.0000
426	E	A	-1.1553
427	A	A	-1.4922
428	L	A	-1.4820
429	H	A	-1.8262
430	N	A	-1.7646
431	H	A	-1.2799
432	Y	A	-0.5075
433	T	A	-0.7239
434	Q	A	-1.0151
435	K	A	-0.9326
436	S	A	-0.3143
437	L	A	0.0000
438	S	A	0.0235
439	L	A	-0.6213
440	S	A	-0.7831
441	P	A	-0.9869
442	G	A	-1.6741
443	K	A	-2.5334
1	D	B	-2.2933
2	I	B	0.0000
3	Q	B	-2.3485
4	M	B	0.0000
5	T	B	-1.3912
6	Q	B	0.0000
7	S	B	-0.7889
8	P	B	-0.7171
9	S	B	-0.9973
10	S	B	-1.0164
11	L	B	-0.6980
12	S	B	-1.0029
13	A	B	-0.9576
14	S	B	-0.8525
15	V	B	0.1316
16	G	B	-0.6043
17	D	B	-1.5964
18	R	B	-2.3183
19	V	B	0.0000
20	T	B	-0.6275
21	I	B	0.0000
22	T	B	-0.7574
23	C	B	0.0000
24	R	B	-2.7993
25	A	B	0.0000
26	S	B	-2.3154
27	Q	B	-3.0294
28	D	B	-2.9687
29	V	B	0.0000
30	N	B	-1.9096
31	T	B	-0.9109
32	A	B	-0.1537
33	V	B	0.0000
34	A	B	0.0000
35	W	B	0.0000
36	Y	B	0.0000
37	Q	B	0.0000
38	Q	B	0.0000
39	K	B	-1.8264
40	P	B	-1.4908
41	G	B	-1.6914
42	K	B	-2.6252
43	A	B	-1.7063
44	P	B	0.0000
45	K	B	-1.6203
46	L	B	0.0000
47	L	B	0.0000
48	I	B	0.0000
49	Y	B	1.1067
50	S	B	0.5785
51	A	B	0.0000
52	S	B	0.7539
53	F	B	2.1561
54	L	B	1.3268
55	Y	B	0.5757
56	S	B	0.0622
57	G	B	-0.3956
58	V	B	-0.0229
59	P	B	-0.2926
60	S	B	-0.4156
61	R	B	-0.7831
62	F	B	0.0000
63	S	B	0.0622
64	G	B	0.0855
65	S	B	-0.5279
66	R	B	-1.5009
67	S	B	-1.2608
68	G	B	-1.8081
69	T	B	-2.2138
70	D	B	-1.7942
71	F	B	0.0000
72	T	B	-0.6756
73	L	B	0.0000
74	T	B	-0.6070
75	I	B	0.0000
76	S	B	-1.3584
77	S	B	-1.0910
78	L	B	0.0000
79	Q	B	-0.9272
80	P	B	-0.9822
81	E	B	-1.7940
82	D	B	0.0000
83	F	B	-0.7867
84	A	B	0.0000
85	T	B	0.0000
86	Y	B	0.0000
87	Y	B	0.0000
88	C	B	0.0000
89	Q	B	0.0000
90	Q	B	0.0000
91	H	B	0.5115
92	Y	B	0.7388
93	T	B	0.2567
94	T	B	-0.3361
95	P	B	-0.7460
96	P	B	0.0000
97	T	B	-0.7781
98	F	B	-0.5513
99	G	B	0.0000
100	Q	B	-1.8705
101	G	B	0.0000
102	T	B	0.0000
103	K	B	-1.9353
104	V	B	0.0000
105	E	B	-1.5186
106	I	B	-1.1424
107	K	B	-1.7299
108	R	B	-1.5954
109	T	B	-0.2858
110	V	B	0.5538
111	A	B	0.1133
112	A	B	-0.0236
113	P	B	0.0000
114	S	B	-0.1816
115	V	B	0.0000
116	F	B	-0.0472
117	I	B	0.1537
118	F	B	0.0000
119	P	B	-0.4948
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122	D	D	-2.4120
123	E	D	-2.3386
124	Q	D	0.0000
125	L	D	-2.0318
126	K	D	-2.6445
127	S	D	-1.7494
128	G	D	-1.3206
129	T	D	-1.1184
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	0.0000
138	N	D	-0.9996
139	F	D	0.0000
140	Y	D	0.0000
141	P	D	-1.5370
142	R	D	-3.1005
143	E	D	-3.1119
144	A	D	-2.1935
145	K	D	-2.1206
146	V	D	-1.1565
147	Q	D	-0.9200
148	W	D	0.0000
149	K	D	-0.9661
150	V	D	0.0000
151	D	D	-1.8400
152	N	D	-1.5689
153	A	D	-0.3335
154	L	D	0.6929
155	Q	D	-0.4790
156	S	D	-0.7499
157	G	D	-1.3076
158	N	D	-1.6183
159	S	D	-1.6708
160	Q	D	-1.8833
161	E	D	-2.2749
162	S	D	-0.9474
163	V	D	-1.0266
164	T	D	-1.1685
165	E	D	-2.1818
166	Q	D	0.0000
167	D	D	-1.8572
168	S	D	-1.8303
169	K	D	-2.3384
170	D	D	-1.7459
171	S	D	-1.6574
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	-0.5654
181	L	D	-0.8484
182	S	D	-1.4029
183	K	D	-2.4870
184	A	D	-2.0120
185	D	D	-3.0715
186	Y	D	0.0000
187	E	D	-3.4816
188	K	D	-3.6543
189	H	D	-3.1601
190	K	D	-2.9744
191	V	D	-1.6484
192	Y	D	0.0000
193	A	D	-0.8357
194	C	D	0.0000
195	E	D	-1.0148
196	V	D	0.0000
197	T	D	-1.1658
198	H	D	0.0000
199	Q	D	-1.5525
200	G	D	-0.1793
201	L	D	0.0053
202	S	D	-0.5093
203	S	D	-0.5121
204	P	D	-0.5584
205	V	D	-0.0787
206	T	D	-0.5816
207	K	D	-0.7250
208	S	D	-0.7198
209	F	D	0.0000
210	N	D	-1.6858
211	R	D	-2.0517
212	G	D	-1.9883
213	E	D	-2.1214
214	C	D	-0.8900