Project name: fdeb2236fd1c6d2

Chain sequence(s)	A: SWNPPTFSPALLVVTEGDNATFTCSFSNTSESFVLNWYRMSPSNQTDKLAAFPEDRSQPGQDSRFRVTQLPNGRDFHMSVVRARRNDSGTYLCGAISLAPKAQIKESLRAELRVTE; H: QVQLVQSGVEVKKPGASVKVSCKASGYTFTNYYMYWVRQAPGQGLEWMGGIDPSNGGTNFNEKFKNRVTLTTDSSTTTAYMELKSLQFDDTAVYYCARRDYRFDMGFDYWGQGTTVTVSS; 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]                                                (00:00:00)
[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                                          (00:02:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:58)

• Minimal score value: -4.0426
• Maximal score value: 1.4957
• Average score: -0.684
• Total score value: -237.3574

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	-0.4520
2	W	A	-0.8858
3	N	A	-1.5818
4	P	A	-1.4163
5	P	A	0.0000
6	T	A	-0.5864
7	F	A	0.0000
8	S	A	-0.1321
9	P	A	0.2200
10	A	A	0.2991
11	L	A	1.1200
12	L	A	1.0807
13	V	A	1.4957
14	V	A	-0.6242
15	T	A	-1.9597
16	E	A	-3.4291
17	G	A	-2.9944
18	D	A	-2.7436
19	N	A	-2.6363
20	A	A	0.0000
21	T	A	-0.5621
22	F	A	0.0000
23	T	A	-0.2976
24	C	A	0.0000
25	S	A	-1.0544
26	F	A	0.0000
27	S	A	-1.5815
28	N	A	-1.4657
29	T	A	-1.3296
30	S	A	-1.3876
31	E	A	-2.0205
32	S	A	-0.9476
33	F	A	-0.3871
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	-1.7294
40	M	A	-1.7237
41	S	A	-1.3405
42	P	A	-1.0643
43	S	A	-1.3066
44	N	A	-2.1646
45	Q	A	-2.1769
46	T	A	-1.3626
47	D	A	-1.2750
48	K	A	0.0000
49	L	A	0.0000
50	A	A	0.0000
51	A	A	0.0000
52	F	A	-0.2220
53	P	A	0.0000
54	E	A	-1.6768
55	D	A	0.0000
56	R	A	-2.5214
57	S	A	0.0000
58	Q	A	-1.3966
59	P	A	0.0000
60	G	A	-1.7337
61	Q	A	-2.2307
62	D	A	-2.2654
63	S	A	-1.5888
64	R	A	-1.3505
65	F	A	-1.0910
66	R	A	-1.1028
67	V	A	-0.5420
68	T	A	-0.5838
69	Q	A	-1.0425
70	L	A	-0.9191
71	P	A	-1.1510
72	N	A	-1.9584
73	G	A	-1.9590
74	R	A	-2.3728
75	D	A	-1.4778
76	F	A	0.0000
77	H	A	-0.5347
78	M	A	0.0000
79	S	A	-0.8775
80	V	A	0.0000
81	V	A	-1.7034
82	R	A	-3.1658
83	A	A	0.0000
84	R	A	-4.0426
85	R	A	-3.5229
86	N	A	-2.6957
87	D	A	0.0000
88	S	A	-1.7451
89	G	A	-1.4396
90	T	A	-1.4354
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	-0.4554
98	L	A	0.0000
99	A	A	-0.5074
100	P	A	-1.0368
101	K	A	-1.9966
102	A	A	-1.2904
103	Q	A	-1.3993
104	I	A	-0.9311
105	K	A	-1.4349
106	E	A	-1.7207
107	S	A	-0.6891
108	L	A	0.2720
109	R	A	-1.4957
110	A	A	0.0000
111	E	A	-1.1666
112	L	A	0.0000
113	R	A	-1.4739
114	V	A	0.0000
115	T	A	-1.9558
116	E	A	-2.5219
117	Q	H	-1.2542
118	V	H	-0.4430
119	Q	H	-0.9353
120	L	H	0.0000
121	V	H	-0.1882
122	Q	H	0.0000
123	S	H	-0.4075
124	G	H	0.0765
125	V	H	1.3361
126	E	H	0.3103
127	V	H	0.9736
128	K	H	-0.7511
129	K	H	-1.7707
130	P	H	-1.3737
131	G	H	-1.3136
132	A	H	-1.2917
133	S	H	-1.5675
134	V	H	0.0000
135	K	H	-1.9709
136	V	H	0.0000
137	S	H	-0.6198
138	C	H	0.0000
139	K	H	-0.8525
140	A	H	0.0000
141	S	H	-0.6730
142	G	H	-0.8247
143	Y	H	-0.2859
144	T	H	-0.2128
145	F	H	0.0000
146	T	H	-0.6229
147	N	H	-0.6422
148	Y	H	-0.2359
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	-0.4925
156	A	H	-0.6459
157	P	H	-0.9583
158	G	H	-0.8795
159	Q	H	-1.1095
160	G	H	0.0000
161	L	H	0.0000
162	E	H	-1.0631
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	D	H	0.0000
169	P	H	-0.8156
170	S	H	-1.1075
171	N	H	-1.6158
172	G	H	-1.1344
173	G	H	-1.1990
174	T	H	-0.5867
175	N	H	-0.5712
176	F	H	-0.9399
177	N	H	0.0000
178	E	H	-3.1771
179	K	H	-3.2511
180	F	H	-2.4537
181	K	H	-3.2569
182	N	H	-2.9161
183	R	H	-2.2050
184	V	H	0.0000
185	T	H	-0.9230
186	L	H	-0.1656
187	T	H	-0.3484
188	T	H	-0.6561
189	D	H	-0.9601
190	S	H	-0.6946
191	S	H	-0.5484
192	T	H	-0.5805
193	T	H	-0.6404
194	T	H	0.0000
195	A	H	0.0000
196	Y	H	-0.4740
197	M	H	0.0000
198	E	H	-1.5027
199	L	H	0.0000
200	K	H	-1.8740
201	S	H	-1.5758
202	L	H	0.0000
203	Q	H	-1.3249
204	F	H	0.2329
205	D	H	-1.2288
206	D	H	0.0000
207	T	H	-0.1297
208	A	H	-0.0002
209	V	H	0.3630
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	-0.4849
217	Y	H	0.0000
218	R	H	-0.4964
219	F	H	0.0000
220	D	H	0.0000
221	M	H	0.0739
222	G	H	0.0000
223	F	H	0.0000
224	D	H	-0.3860
225	Y	H	0.0504
226	W	H	0.0000
227	G	H	0.0000
228	Q	H	-1.1686
229	G	H	-0.3608
230	T	H	0.0000
231	T	H	0.5301
232	V	H	0.0000
233	T	H	0.5199
234	V	H	0.0000
235	S	H	-0.2907
236	S	H	-0.5933
237	E	L	-1.5969
238	I	L	-0.3222
239	V	L	0.4308
240	L	L	0.0000
241	T	L	-0.5727
242	Q	L	-0.9129
243	S	L	-0.6970
244	P	L	-0.3632
245	A	L	-0.3222
246	T	L	-0.4226
247	L	L	-0.2333
248	S	L	-0.3522
249	L	L	-0.6522
250	S	L	-0.9486
251	P	L	-1.3956
252	G	L	-1.7281
253	E	L	-2.2289
254	R	L	-2.5372
255	A	L	0.0000
256	T	L	-0.5249
257	L	L	0.0000
258	S	L	-1.0066
259	C	L	0.0000
260	R	L	-2.3643
261	A	L	0.0000
262	S	L	-1.3665
263	K	L	-2.0780
264	G	L	-1.2718
265	V	L	0.0000
266	S	L	-0.7754
267	T	L	-0.5963
268	S	L	-0.6972
269	G	L	-1.0421
270	Y	L	-0.7096
271	S	L	-0.5514
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	-1.6283
280	P	L	-1.1367
281	G	L	-1.3672
282	Q	L	-2.0180
283	A	L	-1.3094
284	P	L	0.0000
285	R	L	-1.3756
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	-0.1550
292	S	L	-0.1761
293	Y	L	0.3280
294	L	L	0.3227
295	E	L	-0.5007
296	S	L	-0.7235
297	G	L	-0.4787
298	V	L	-0.2430
299	P	L	-0.2021
300	A	L	-0.1498
301	R	L	-0.7407
302	F	L	0.0000
303	S	L	-0.2236
304	G	L	-0.2972
305	S	L	-0.8074
306	G	L	-1.3293
307	S	L	-1.2379
308	G	L	-1.6213
309	T	L	-2.0247
310	D	L	-2.9298
311	F	L	0.0000
312	T	L	-1.0031
313	L	L	0.0000
314	T	L	-0.6088
315	I	L	0.0000
316	S	L	-1.4488
317	S	L	-1.7917
318	L	L	0.0000
319	E	L	-2.1679
320	P	L	-1.4606
321	E	L	-2.4072
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	-0.7962
334	L	L	-0.3477
335	P	L	-0.6987
336	L	L	0.0000
337	T	L	-0.0921
338	F	L	0.0000
339	G	L	-0.3641
340	G	L	-0.5397
341	G	L	0.0000
342	T	L	0.0000
343	K	L	-0.9543
344	V	L	0.0000
345	E	L	-0.4915
346	I	L	0.7337
347	K	L	-0.9413