Project name: f1cdb28bcc420f3

Chain sequence(s)	A: SWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDSRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTE; H: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGINPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS; L: EIVLTQSPATLSLSPGERATLSCRASKGVSTSGYSYLHWYQQKPGQAPRLLIYLASYLESGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCQHSRDLPLTFGGGTKVEIK
Selected Chain(s)	A,H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:47)

• Minimal score value: -4.2729
• Maximal score value: 1.4964
• Average score: -0.6611
• Total score value: -229.3924

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	S	A	-0.4526
2	W	A	-0.8789
3	N	A	-1.5784
4	P	A	-1.1781
5	P	A	0.0000
6	T	A	-0.4571
7	F	A	0.0000
8	S	A	-0.1365
9	P	A	0.2134
10	A	A	0.2891
11	L	A	1.1080
12	L	A	1.0740
13	V	A	1.4964
14	V	A	-0.6752
15	T	A	-2.0184
16	E	A	-3.5356
17	G	A	-3.0412
18	D	A	-2.7351
19	N	A	-2.6306
20	A	A	0.0000
21	T	A	-0.5132
22	F	A	0.0000
23	T	A	-0.2922
24	C	A	0.0000
25	S	A	-1.0545
26	F	A	0.0000
27	S	A	-1.5820
28	N	A	-1.4666
29	T	A	-1.3307
30	S	A	-1.3886
31	E	A	-2.0209
32	S	A	-0.9479
33	F	A	-0.3415
34	V	A	0.0000
35	L	A	0.0000
36	N	A	0.0000
37	W	A	0.0000
38	Y	A	0.0000
39	R	A	-1.6868
40	M	A	-1.7063
41	S	A	-1.3292
42	P	A	-1.0630
43	S	A	-1.3067
44	N	A	-2.1600
45	Q	A	-2.1590
46	T	A	-1.3348
47	D	A	-1.2426
48	K	A	0.0000
49	L	A	0.0000
50	A	A	0.0000
51	A	A	0.0000
52	F	A	0.1275
53	P	A	0.0000
54	E	A	-0.9983
55	D	A	0.0000
56	R	A	-2.2340
57	S	A	0.0000
58	Q	A	0.0000
59	P	A	0.0000
60	G	A	-1.5424
61	Q	A	-1.7957
62	D	A	-1.9931
63	S	A	-1.3229
64	R	A	-1.1986
65	F	A	-0.8494
66	R	A	-0.6120
67	V	A	-0.1949
68	T	A	-0.3988
69	Q	A	-1.0064
70	L	A	-0.9141
71	P	A	-1.1510
72	N	A	-1.9584
73	G	A	-1.9590
74	R	A	-2.3728
75	D	A	-1.4776
76	F	A	0.0000
77	H	A	-0.4526
78	M	A	0.0000
79	S	A	-0.7395
80	V	A	0.0000
81	V	A	-1.6241
82	R	A	-3.1574
83	A	A	0.0000
84	R	A	-4.2729
85	R	A	-4.0186
86	N	A	-2.9315
87	D	A	0.0000
88	S	A	-1.8856
89	G	A	-1.4818
90	T	A	-1.4309
91	Y	A	0.0000
92	L	A	0.0000
93	C	A	0.0000
94	G	A	0.0000
95	A	A	0.0000
96	I	A	0.0000
97	S	A	-0.3520
98	L	A	0.0000
99	A	A	-0.4994
100	P	A	-1.0310
101	K	A	-1.9409
102	A	A	-1.1857
103	Q	A	-1.1828
104	I	A	-0.3745
105	K	A	-0.8591
106	E	A	-0.8827
107	S	A	-0.3295
108	L	A	0.4242
109	R	A	-1.4081
110	A	A	0.0000
111	E	A	-1.1922
112	L	A	0.0000
113	R	A	-1.5653
114	V	A	0.0000
115	T	A	-2.0800
116	E	A	-2.6021
117	Q	H	-1.2237
118	V	H	-0.3903
119	Q	H	-0.7039
120	L	H	0.0000
121	V	H	-0.2741
122	Q	H	0.0000
123	S	H	-0.4408
124	G	H	0.0547
125	V	H	1.3343
126	E	H	0.3098
127	V	H	0.9719
128	K	H	-0.7528
129	K	H	-1.7726
130	P	H	-1.3751
131	G	H	-1.3136
132	A	H	-1.2917
133	S	H	-1.5675
134	V	H	0.0000
135	K	H	-1.9710
136	V	H	0.0000
137	S	H	-0.6449
138	C	H	0.0000
139	K	H	-0.8571
140	A	H	0.0000
141	S	H	-0.6394
142	G	H	-0.7924
143	Y	H	-0.2545
144	T	H	-0.1931
145	F	H	0.0000
146	T	H	-0.5751
147	N	H	-0.5467
148	Y	H	-0.1873
149	Y	H	0.0000
150	M	H	0.0000
151	Y	H	0.0000
152	W	H	0.0000
153	V	H	0.0000
154	R	H	0.0000
155	Q	H	-0.5016
156	A	H	-0.6463
157	P	H	-0.9561
158	G	H	-0.8715
159	Q	H	-1.0966
160	G	H	0.0000
161	L	H	0.0000
162	E	H	-1.0634
163	W	H	0.0000
164	M	H	0.0000
165	G	H	0.0000
166	G	H	0.0000
167	I	H	0.0000
168	N	H	0.0000
169	P	H	-0.7953
170	S	H	-1.0830
171	N	H	-1.6159
172	G	H	-1.1401
173	G	H	-1.1221
174	T	H	-0.5221
175	N	H	-0.4991
176	F	H	-0.9234
177	N	H	0.0000
178	E	H	-3.1624
179	K	H	-3.2475
180	F	H	-2.4477
181	K	H	-3.2481
182	N	H	-2.9112
183	R	H	-2.2023
184	V	H	0.0000
185	T	H	-0.9208
186	L	H	-0.1651
187	T	H	-0.3486
188	T	H	-0.6545
189	D	H	-0.9572
190	S	H	-0.6916
191	S	H	-0.5473
192	T	H	-0.5823
193	T	H	-0.6444
194	T	H	0.0000
195	A	H	0.0000
196	Y	H	-0.4735
197	M	H	0.0000
198	E	H	-1.5023
199	L	H	0.0000
200	K	H	-1.8739
201	S	H	-1.5758
202	L	H	0.0000
203	Q	H	-1.3255
204	F	H	0.2318
205	D	H	-1.2288
206	D	H	0.0000
207	T	H	-0.1343
208	A	H	-0.0088
209	V	H	0.3479
210	Y	H	0.0000
211	Y	H	0.0000
212	C	H	0.0000
213	A	H	0.0000
214	R	H	0.0000
215	R	H	0.0000
216	D	H	-0.4769
217	Y	H	0.0000
218	R	H	-0.4117
219	F	H	0.0000
220	D	H	0.0000
221	M	H	0.0684
222	G	H	0.0000
223	F	H	0.0000
224	D	H	-0.3892
225	Y	H	0.0875
226	W	H	0.0000
227	G	H	0.0000
228	Q	H	-1.1847
229	G	H	-0.3938
230	T	H	0.0000
231	T	H	0.5233
232	V	H	0.0000
233	T	H	0.5157
234	V	H	0.0000
235	S	H	-0.2961
236	S	H	-0.5960
237	E	L	-1.5763
238	I	L	-0.2918
239	V	L	0.4747
240	L	L	0.0000
241	T	L	-0.5618
242	Q	L	-0.9133
243	S	L	-0.6965
244	P	L	-0.3694
245	A	L	-0.3333
246	T	L	-0.4820
247	L	L	-0.3031
248	S	L	-0.4402
249	L	L	-0.7158
250	S	L	-1.0043
251	P	L	-1.4581
252	G	L	-1.8022
253	E	L	-2.2519
254	R	L	-2.5279
255	A	L	0.0000
256	T	L	-0.5060
257	L	L	0.0000
258	S	L	-1.0055
259	C	L	0.0000
260	R	L	-2.3570
261	A	L	0.0000
262	S	L	-1.3517
263	K	L	-2.0713
264	G	L	-1.2675
265	V	L	0.0000
266	S	L	-0.7749
267	T	L	-0.5959
268	S	L	-0.6971
269	G	L	-1.0421
270	Y	L	-0.7096
271	S	L	-0.5511
272	Y	L	0.0000
273	L	L	0.0000
274	H	L	0.0000
275	W	L	0.0000
276	Y	L	0.0000
277	Q	L	0.0000
278	Q	L	0.0000
279	K	L	-1.6028
280	P	L	-1.1224
281	G	L	-1.3610
282	Q	L	-2.0085
283	A	L	-1.3057
284	P	L	0.0000
285	R	L	-1.3717
286	L	L	0.0000
287	L	L	0.0000
288	I	L	0.0000
289	Y	L	0.0000
290	L	L	0.0000
291	A	L	-0.1565
292	S	L	-0.1783
293	Y	L	0.3231
294	L	L	0.3215
295	E	L	-0.5016
296	S	L	-0.7239
297	G	L	-0.4791
298	V	L	-0.2438
299	P	L	-0.2024
300	A	L	-0.1409
301	R	L	-0.7194
302	F	L	0.0000
303	S	L	-0.2145
304	G	L	-0.2977
305	S	L	-0.8079
306	G	L	-1.3291
307	S	L	-1.2371
308	G	L	-1.6197
309	T	L	-2.0191
310	D	L	-2.9293
311	F	L	0.0000
312	T	L	-1.0014
313	L	L	0.0000
314	T	L	-0.5885
315	I	L	0.0000
316	S	L	-1.3955
317	S	L	-1.8006
318	L	L	0.0000
319	E	L	-2.1844
320	P	L	-1.4746
321	E	L	-2.4027
322	D	L	0.0000
323	F	L	0.0000
324	A	L	0.0000
325	V	L	0.0000
326	Y	L	0.0000
327	Y	L	0.0000
328	C	L	0.0000
329	Q	L	0.0000
330	H	L	0.0000
331	S	L	0.0000
332	R	L	0.0000
333	D	L	-0.7443
334	L	L	-0.2508
335	P	L	-0.6488
336	L	L	0.0000
337	T	L	-0.0697
338	F	L	0.0000
339	G	L	-0.3535
340	G	L	-0.5345
341	G	L	0.0000
342	T	L	0.0000
343	K	L	-1.0407
344	V	L	0.0000
345	E	L	-0.7030
346	I	L	0.6371
347	K	L	-0.9935