Project name: ffcef445cd1d08a

Chain sequence(s)	A: WNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDCRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRV; H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYWINWVRQAPGQGLEWMGNIYPGSSLTNYNEKFKNRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARLSTGTFAYWGQGTLVTV; L: DIVMTQSPDSLAVSLGERATINCKSSQSLWDSGNQKNFLTWYQQKPGQPPKLLIYWTSYRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQNDYFYPHTFGGGTKVEIK
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                                          (00:03:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:34)

• Minimal score value: -4.0626
• Maximal score value: 1.7706
• Average score: -0.6622
• Total score value: -225.8102

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	-0.5279
2	N	A	-1.3872
3	P	A	-0.6563
4	P	A	0.0000
5	T	A	-0.1477
6	F	A	0.0000
7	S	A	-0.1474
8	P	A	0.0833
9	A	A	0.3310
10	L	A	0.8091
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	-0.8807
25	F	A	0.0000
26	S	A	-1.5875
27	N	A	-1.9355
28	T	A	-1.2181
29	S	A	-1.4670
30	E	A	-2.0566
31	S	A	-0.8816
32	F	A	-0.3356
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	-0.6321
39	M	A	-0.5019
40	S	A	-0.8337
41	P	A	-1.0057
42	S	A	-1.1700
43	N	A	-1.4412
44	Q	A	0.0000
45	T	A	0.0000
46	D	A	-0.7740
47	K	A	0.0000
48	L	A	0.0000
49	A	A	0.0000
50	A	A	-0.7442
51	F	A	-0.8316
52	P	A	-1.1276
53	E	A	-2.4873
54	D	A	-2.1488
55	R	A	-1.8563
56	S	A	-1.5617
57	Q	A	-1.0187
58	P	A	-0.8643
59	G	A	-1.0348
60	Q	A	-1.2330
61	D	A	-0.9662
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	-1.4458
88	G	A	-0.9625
89	T	A	-0.7260
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	-0.1958
97	L	A	0.3637
98	A	A	-0.1574
99	P	A	-0.7605
100	K	A	-1.5372
101	A	A	-1.0253
102	Q	A	-0.9930
103	I	A	0.0000
104	K	A	-0.9651
105	E	A	-0.4401
106	S	A	0.0000
107	L	A	0.7994
108	R	A	-0.7765
109	A	A	0.0000
110	E	A	-0.5687
111	L	A	0.0000
112	R	A	-0.9707
113	V	A	-1.3989
114	Q	H	-1.9008
115	V	H	0.0000
116	Q	H	-1.7502
117	L	H	0.0000
118	V	H	-0.4216
119	Q	H	0.0000
120	S	H	-0.6384
121	G	H	-0.5483
122	A	H	0.1406
123	E	H	0.0311
124	V	H	1.0151
125	K	H	-1.0118
126	K	H	-2.1312
127	P	H	-2.1914
128	G	H	-1.5553
129	A	H	-1.2232
130	S	H	-1.4458
131	V	H	0.0000
132	K	H	-2.1026
133	V	H	0.0000
134	S	H	-0.6966
135	C	H	0.0000
136	K	H	-1.3009
137	A	H	-0.8577
138	S	H	-1.0771
139	G	H	-1.2285
140	Y	H	-0.6692
141	T	H	-0.1103
142	F	H	0.0000
143	T	H	-0.1782
144	S	H	0.1916
145	Y	H	0.4165
146	W	H	0.5573
147	I	H	0.0000
148	N	H	-0.2313
149	W	H	0.0000
150	V	H	0.0000
151	R	H	0.0000
152	Q	H	-0.4239
153	A	H	0.0000
154	P	H	-0.9508
155	G	H	-1.2874
156	Q	H	-1.7086
157	G	H	-1.1525
158	L	H	0.0000
159	E	H	-0.5906
160	W	H	0.0000
161	M	H	0.0000
162	G	H	0.0000
163	N	H	-0.2118
164	I	H	0.0000
165	Y	H	0.5523
166	P	H	0.0000
167	G	H	-0.0386
168	S	H	0.1410
169	S	H	0.3662
170	L	H	1.2166
171	T	H	0.1656
172	N	H	-1.1422
173	Y	H	-1.5957
174	N	H	0.0000
175	E	H	-3.0333
176	K	H	-2.8691
177	F	H	0.0000
178	K	H	-2.7076
179	N	H	-2.4381
180	R	H	-1.6999
181	V	H	0.0000
182	T	H	-1.0650
183	M	H	0.0000
184	T	H	-0.2714
185	R	H	-0.9115
186	D	H	-1.1354
187	T	H	-0.7944
188	S	H	-0.5424
189	T	H	-0.6904
190	S	H	-0.8552
191	T	H	-0.8580
192	V	H	0.0000
193	Y	H	-0.6695
194	M	H	0.0000
195	E	H	-1.6201
196	L	H	0.0000
197	S	H	-1.2757
198	S	H	-1.1934
199	L	H	0.0000
200	R	H	-2.7123
201	S	H	-1.7386
202	E	H	-1.3799
203	D	H	0.0000
204	T	H	-0.4389
205	A	H	0.0000
206	V	H	0.3207
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	-0.2038
214	T	H	-0.2573
215	G	H	0.0000
216	T	H	0.0796
217	F	H	0.0113
218	A	H	0.0000
219	Y	H	0.0000
220	W	H	-0.3883
221	G	H	0.0000
222	Q	H	-1.2492
223	G	H	-0.4224
224	T	H	0.0000
225	L	H	0.7354
226	V	H	0.0000
227	T	H	0.1502
228	V	H	-0.7518
229	D	L	-1.5022
230	I	L	0.0079
231	V	L	0.5357
232	M	L	0.0000
233	T	L	-0.6286
234	Q	L	-1.2841
235	S	L	-1.3919
236	P	L	-1.5433
237	D	L	-2.4993
238	S	L	-1.9494
239	L	L	-1.2938
240	A	L	-1.0804
241	V	L	0.0000
242	S	L	-1.2357
243	L	L	-0.5287
244	G	L	-1.6332
245	E	L	-2.3942
246	R	L	-2.4981
247	A	L	0.0000
248	T	L	-0.8309
249	I	L	0.0000
250	N	L	-1.7070
251	C	L	0.0000
252	K	L	-2.1647
253	S	L	0.0000
254	S	L	-0.9820
255	Q	L	-1.5496
256	S	L	-0.9374
257	L	L	0.0000
258	W	L	-0.2014
259	D	L	-0.5707
260	S	L	-0.8793
261	G	L	-1.2060
262	N	L	0.0000
263	Q	L	-1.4929
264	K	L	-0.8440
265	N	L	-0.4316
266	F	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	-1.0464
273	K	L	-1.7947
274	P	L	-0.9915
275	G	L	-1.1273
276	Q	L	-1.4982
277	P	L	-1.1446
278	P	L	0.0000
279	K	L	-0.8987
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	-0.3838
287	Y	L	-0.0783
288	R	L	0.0000
289	E	L	0.0000
290	S	L	0.0000
291	G	L	-1.0179
292	V	L	-0.6614
293	P	L	-1.1181
294	D	L	-2.0789
295	R	L	-1.5781
296	F	L	0.0000
297	S	L	-0.7300
298	G	L	-0.4008
299	S	L	-0.8400
300	G	L	-1.1198
301	S	L	-0.8624
302	G	L	-0.9003
303	T	L	-1.4837
304	D	L	-2.2433
305	F	L	0.0000
306	T	L	-0.9633
307	L	L	0.0000
308	T	L	0.0000
309	I	L	0.0000
310	S	L	-1.7873
311	S	L	-1.6860
312	L	L	0.0000
313	Q	L	-1.6453
314	A	L	-0.9579
315	E	L	-2.1389
316	D	L	0.0000
317	V	L	-0.6551
318	A	L	0.0000
319	V	L	-0.9501
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	-0.0276
326	Y	L	0.7256
327	F	L	1.3136
328	Y	L	0.4728
329	P	L	0.0000
330	H	L	0.4700
331	T	L	0.0000
332	F	L	0.0000
333	G	L	0.0000
334	G	L	-1.3520
335	G	L	0.0000
336	T	L	0.0000
337	K	L	-2.3227
338	V	L	0.0000
339	E	L	-1.8803
340	I	L	-0.4991
341	K	L	-1.5838