Project name: 45b43c02f3326d9

Chain sequence(s)	A: WNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRV; H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYWINWVRQAPGQGLEWMGNIYPGSSLTNYNEKFKNRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARLSTGTFAYWGQGTLVTV; L: DIVMTQSPDSLAVSLGERATINCKSSQSLWDSGNQKNRLTWYQQKPGQPPKLLIYWTSYRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQNDYFYPHTFGGGTKVEIK
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]                                                (00:00:00)
[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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:01)

• Minimal score value: -4.0626
• Maximal score value: 1.7706
• Average score: -0.6858
• Total score value: -233.8557

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	W	A	-0.5948
2	N	A	-1.4479
3	P	A	-0.7499
4	P	A	0.0000
5	T	A	-0.2279
6	F	A	0.0000
7	S	A	-0.2242
8	P	A	0.0367
9	A	A	0.2396
10	L	A	0.7598
11	L	A	1.0111
12	V	A	1.7706
13	V	A	0.3023
14	T	A	-1.6334
15	E	A	-3.6056
16	G	A	-3.0443
17	D	A	-2.7296
18	N	A	-2.4434
19	A	A	0.0000
20	T	A	-0.6261
21	F	A	0.0000
22	T	A	-0.3651
23	C	A	0.0000
24	S	A	-0.8811
25	F	A	0.0000
26	S	A	-1.5923
27	N	A	-1.9453
28	T	A	-1.2232
29	S	A	-1.4668
30	E	A	-2.0562
31	S	A	-0.8809
32	F	A	-0.3285
33	V	A	0.0000
34	L	A	0.0000
35	N	A	0.0000
36	W	A	0.0000
37	Y	A	0.0000
38	R	A	-0.7446
39	M	A	-0.6598
40	S	A	-0.8799
41	P	A	-1.0255
42	S	A	-1.1822
43	N	A	-1.4625
44	Q	A	0.0000
45	T	A	0.0000
46	D	A	-0.7997
47	K	A	0.0000
48	L	A	0.0000
49	A	A	0.0000
50	A	A	-0.7442
51	F	A	-0.8314
52	P	A	-1.1275
53	E	A	-2.4873
54	D	A	-2.1488
55	R	A	-1.8563
56	S	A	-1.5618
57	Q	A	-1.0182
58	P	A	-0.8638
59	G	A	-1.0337
60	Q	A	-1.2311
61	D	A	-0.9656
62	C	A	-0.3381
63	R	A	-0.8490
64	F	A	0.0000
65	R	A	-1.4115
66	V	A	0.0000
67	T	A	-1.0626
68	Q	A	-1.3960
69	L	A	-1.1180
70	P	A	-1.3119
71	N	A	-2.1762
72	G	A	-2.4721
73	R	A	-2.6866
74	D	A	-1.6353
75	F	A	0.0000
76	H	A	-0.8456
77	M	A	0.0000
78	S	A	-1.0766
79	V	A	0.0000
80	V	A	-1.5931
81	R	A	-3.2996
82	A	A	0.0000
83	R	A	-4.0626
84	R	A	-3.7123
85	N	A	-2.7637
86	D	A	0.0000
87	S	A	-1.4436
88	G	A	-1.0202
89	T	A	-0.8592
90	Y	A	0.0000
91	L	A	0.0000
92	C	A	0.0000
93	G	A	0.0000
94	A	A	0.0000
95	I	A	0.0000
96	S	A	-0.2120
97	L	A	0.3734
98	A	A	-0.1473
99	P	A	-0.7411
100	K	A	-1.5263
101	A	A	-1.0250
102	Q	A	-1.0176
103	I	A	0.0000
104	K	A	-1.2470
105	E	A	-0.6918
106	S	A	-0.0820
107	L	A	0.5605
108	R	A	-1.2552
109	A	A	0.0000
110	E	A	-0.6585
111	L	A	0.0000
112	R	A	-0.9694
113	V	A	-1.3989
114	Q	H	-1.8968
115	V	H	0.0000
116	Q	H	-1.7134
117	L	H	0.0000
118	V	H	-0.3188
119	Q	H	0.0000
120	S	H	-0.6111
121	G	H	-0.5327
122	A	H	0.1496
123	E	H	0.0091
124	V	H	0.9891
125	K	H	-1.0610
126	K	H	-2.1496
127	P	H	-2.1961
128	G	H	-1.5563
129	A	H	-1.2302
130	S	H	-1.4928
131	V	H	0.0000
132	K	H	-2.2200
133	V	H	0.0000
134	S	H	-0.7168
135	C	H	0.0000
136	K	H	-1.2334
137	A	H	-0.8087
138	S	H	-1.0294
139	G	H	-1.2154
140	Y	H	-0.6596
141	T	H	-0.1073
142	F	H	0.0000
143	T	H	-0.1762
144	S	H	0.1956
145	Y	H	0.4253
146	W	H	0.5674
147	I	H	0.0000
148	N	H	-0.2370
149	W	H	0.0000
150	V	H	0.0000
151	R	H	0.0000
152	Q	H	-0.4234
153	A	H	0.0000
154	P	H	-0.9557
155	G	H	-1.2923
156	Q	H	-1.7105
157	G	H	-1.1609
158	L	H	0.0000
159	E	H	-0.5920
160	W	H	0.0000
161	M	H	0.0000
162	G	H	0.0000
163	N	H	-0.2288
164	I	H	0.0000
165	Y	H	0.5541
166	P	H	0.0000
167	G	H	-0.0366
168	S	H	0.1418
169	S	H	0.3688
170	L	H	1.2152
171	T	H	0.1533
172	N	H	-1.3370
173	Y	H	-1.9887
174	N	H	0.0000
175	E	H	-3.6417
176	K	H	-3.2282
177	F	H	0.0000
178	K	H	-3.5489
179	N	H	-2.8262
180	R	H	-1.8903
181	V	H	0.0000
182	T	H	-1.2872
183	M	H	0.0000
184	T	H	-0.3050
185	R	H	-0.9090
186	D	H	-1.1331
187	T	H	-0.7919
188	S	H	-0.5436
189	T	H	-0.6827
190	S	H	-0.8430
191	T	H	-0.8334
192	V	H	0.0000
193	Y	H	-0.7429
194	M	H	0.0000
195	E	H	-1.8693
196	L	H	0.0000
197	S	H	-1.3054
198	S	H	-1.1711
199	L	H	0.0000
200	R	H	-2.7228
201	S	H	-1.7562
202	E	H	-1.4092
203	D	H	0.0000
204	T	H	-0.4427
205	A	H	0.0000
206	V	H	0.3525
207	Y	H	0.0000
208	Y	H	0.0000
209	C	H	0.0000
210	A	H	0.0000
211	R	H	0.0000
212	L	H	0.0000
213	S	H	-0.1794
214	T	H	-0.2292
215	G	H	0.0000
216	T	H	0.0797
217	F	H	-0.0008
218	A	H	0.0000
219	Y	H	0.0000
220	W	H	-0.3956
221	G	H	0.0000
222	Q	H	-1.2449
223	G	H	-0.4108
224	T	H	0.0000
225	L	H	0.7908
226	V	H	0.0000
227	T	H	0.1445
228	V	H	-0.7751
229	D	L	-1.4867
230	I	L	0.0000
231	V	L	0.9411
232	M	L	0.0000
233	T	L	-0.5570
234	Q	L	-1.2599
235	S	L	-1.4237
236	P	L	-1.5730
237	D	L	-2.5253
238	S	L	-1.9762
239	L	L	-1.3444
240	A	L	-1.1383
241	V	L	0.0000
242	S	L	-1.3556
243	L	L	-0.6158
244	G	L	-1.6864
245	E	L	-2.5065
246	R	L	-2.6056
247	A	L	0.0000
248	T	L	-0.8854
249	I	L	0.0000
250	N	L	-1.7885
251	C	L	0.0000
252	K	L	-2.0674
253	S	L	0.0000
254	S	L	-0.7440
255	Q	L	-1.0266
256	S	L	-0.6981
257	L	L	0.0000
258	W	L	-0.0284
259	D	L	-0.5372
260	S	L	-0.8532
261	G	L	-1.1806
262	N	L	-1.2696
263	Q	L	-1.5370
264	K	L	-0.8719
265	N	L	-0.3859
266	R	L	0.0000
267	L	L	0.0000
268	T	L	0.0000
269	W	L	0.0000
270	Y	L	0.0000
271	Q	L	0.0000
272	Q	L	-1.1384
273	K	L	-1.9133
274	P	L	-1.0588
275	G	L	-1.2058
276	Q	L	-1.6595
277	P	L	-1.2403
278	P	L	0.0000
279	K	L	-1.0287
280	L	L	0.0000
281	L	L	0.0000
282	I	L	0.0000
283	Y	L	0.0000
284	W	L	0.0000
285	T	L	0.0000
286	S	L	-0.3795
287	Y	L	-0.0837
288	R	L	0.0000
289	E	L	0.0000
290	S	L	0.0000
291	G	L	-1.0143
292	V	L	-0.6703
293	P	L	-1.1122
294	D	L	-2.0725
295	R	L	-1.5745
296	F	L	0.0000
297	S	L	-0.7283
298	G	L	-0.4061
299	S	L	-0.8547
300	G	L	-1.1317
301	S	L	-0.8358
302	G	L	-0.7652
303	T	L	-1.3394
304	D	L	-2.2185
305	F	L	0.0000
306	T	L	-1.0057
307	L	L	0.0000
308	T	L	-0.6840
309	I	L	0.0000
310	S	L	-1.8119
311	S	L	-1.7245
312	L	L	0.0000
313	Q	L	-1.6286
314	A	L	-0.9621
315	E	L	-2.1418
316	D	L	0.0000
317	V	L	-0.7098
318	A	L	0.0000
319	V	L	-0.9868
320	Y	L	0.0000
321	Y	L	0.0000
322	C	L	0.0000
323	Q	L	0.0000
324	N	L	0.0000
325	D	L	0.0731
326	Y	L	0.6741
327	F	L	1.2164
328	Y	L	0.4081
329	P	L	0.0000
330	H	L	0.5076
331	T	L	0.0000
332	F	L	0.0000
333	G	L	0.0000
334	G	L	-1.3582
335	G	L	0.0000
336	T	L	0.0000
337	K	L	-2.4089
338	V	L	0.0000
339	E	L	-1.9612
340	I	L	-0.6502
341	K	L	-1.6691