Project name: d571b9ede7862a7

Chain sequence(s)	A: AIITVTPKSFGSPGSLGKLLCEVTPVSGQERFVWSSLDTPSQRSFSGPWLEAQEAQLLSQPWQCQLYQGERLLGAAVYF; H: QVQLQQWGAGLLKPSETLSLTCAVYGGSFSDYYWNWIRQPPGKGLEWIGEINHNGNTNSNPSLKSRVTLSLDTSKNQFSLKLRSVTAADTAVYYCAFGYSDYEYNWFDPWGQGTLVTVS; L: EIVLTQSPATLSLSPGERATLSCRASQSISSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQQRSNWPLTFGQGTNLE
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                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:11)

• Minimal score value: -2.7431
• Maximal score value: 2.1892
• Average score: -0.4767
• Total score value: -144.4395

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	A	A	1.2105
2	I	A	2.0369
3	I	A	1.0521
4	T	A	0.3766
5	V	A	0.3415
6	T	A	-0.3163
7	P	A	-0.6771
8	K	A	-1.2355
9	S	A	-0.8165
10	F	A	-0.4717
11	G	A	-0.3119
12	S	A	-0.2485
13	P	A	-0.3539
14	G	A	-0.5360
15	S	A	-0.7825
16	L	A	-0.2280
17	G	A	-1.0883
18	K	A	-1.3950
19	L	A	0.0000
20	L	A	-0.2379
21	C	A	0.0000
22	E	A	-0.2540
23	V	A	0.0000
24	T	A	0.6427
25	P	A	0.6433
26	V	A	0.9446
27	S	A	-0.0928
28	G	A	-0.8598
29	Q	A	-1.4740
30	E	A	-1.1158
31	R	A	-1.2481
32	F	A	-0.2253
33	V	A	0.2655
34	W	A	0.0000
35	S	A	-0.1979
36	S	A	-0.5314
37	L	A	-0.2115
38	D	A	-1.6287
39	T	A	-0.8494
40	P	A	-0.7536
41	S	A	-0.5622
42	Q	A	-0.6115
43	R	A	0.0000
44	S	A	-0.1133
45	F	A	0.2301
46	S	A	-0.2824
47	G	A	0.0691
48	P	A	0.2205
49	W	A	0.3464
50	L	A	0.0000
51	E	A	-1.9031
52	A	A	-1.3432
53	Q	A	-1.5560
54	E	A	-1.8197
55	A	A	-0.7302
56	Q	A	0.0200
57	L	A	1.5809
58	L	A	1.3777
59	S	A	0.2297
60	Q	A	-0.1318
61	P	A	0.2925
62	W	A	0.0000
63	Q	A	0.2316
64	C	A	0.0000
65	Q	A	0.0000
66	L	A	0.0000
67	Y	A	-0.6955
68	Q	A	-1.2965
69	G	A	-1.7777
70	E	A	-2.7431
71	R	A	-2.2057
72	L	A	0.0315
73	L	A	0.8249
74	G	A	0.9087
75	A	A	0.8351
76	A	A	0.6467
77	V	A	1.1800
78	Y	A	1.4866
79	F	A	2.1892
80	Q	H	-1.4349
81	V	H	-0.8500
82	Q	H	-1.3267
83	L	H	0.0000
84	Q	H	-0.6945
85	Q	H	0.0000
86	W	H	0.2290
87	G	H	0.0753
88	A	H	0.6898
89	G	H	0.0000
90	L	H	1.5540
91	L	H	-0.3288
92	K	H	-1.9873
93	P	H	-1.6135
94	S	H	-1.8123
95	E	H	-2.7229
96	T	H	-1.9836
97	L	H	0.0000
98	S	H	-0.9385
99	L	H	0.0000
100	T	H	-0.1757
101	C	H	0.0000
102	A	H	0.0000
103	V	H	-0.0983
104	Y	H	0.2632
105	G	H	-0.6851
106	G	H	-0.8561
107	S	H	-0.0747
108	F	H	0.2645
109	S	H	-0.0683
110	D	H	-0.1582
111	Y	H	0.2387
112	Y	H	0.1775
113	W	H	0.0000
114	N	H	-0.0496
115	W	H	0.0000
116	I	H	0.0000
117	R	H	0.0000
118	Q	H	-0.6092
119	P	H	-0.8111
120	P	H	-0.8672
121	G	H	-1.5188
122	K	H	-2.4752
123	G	H	-1.9046
124	L	H	0.0000
125	E	H	-0.8650
126	W	H	0.0000
127	I	H	0.0000
128	G	H	0.0000
129	E	H	0.0000
130	I	H	0.1404
131	N	H	0.0000
132	H	H	-0.2266
133	N	H	-0.1688
134	G	H	-0.5042
135	N	H	-0.8007
136	T	H	-0.4118
137	N	H	-0.7669
138	S	H	-0.9125
139	N	H	-1.2001
140	P	H	-1.2465
141	S	H	-0.8762
142	L	H	0.0000
143	K	H	-2.0565
144	S	H	-1.3963
145	R	H	-1.5443
146	V	H	-1.3107
147	T	H	-0.9082
148	L	H	-0.2738
149	S	H	-0.2227
150	L	H	-0.6802
151	D	H	-1.6948
152	T	H	-1.4551
153	S	H	-1.6309
154	K	H	-2.6644
155	N	H	-2.4071
156	Q	H	-1.5413
157	F	H	0.0000
158	S	H	-0.4732
159	L	H	0.0000
160	K	H	-1.2210
161	L	H	0.0000
162	R	H	-2.1672
163	S	H	-1.8193
164	V	H	0.0000
165	T	H	-0.7295
166	A	H	-0.1957
167	A	H	0.0671
168	D	H	0.0000
169	T	H	0.4994
170	A	H	0.0000
171	V	H	0.9532
172	Y	H	0.0000
173	Y	H	0.0000
174	C	H	0.0000
175	A	H	0.0000
176	F	H	0.0000
177	G	H	0.0000
178	Y	H	0.2782
179	S	H	-0.2916
180	D	H	-0.9096
181	Y	H	0.1288
182	E	H	-1.2246
183	Y	H	-0.0667
184	N	H	-1.1652
185	W	H	-0.5026
186	F	H	0.0146
187	D	H	0.0000
188	P	H	0.0000
189	W	H	-0.5727
190	G	H	0.0000
191	Q	H	-1.5352
192	G	H	-0.3705
193	T	H	0.8417
194	L	H	1.9602
195	V	H	0.0000
196	T	H	0.7251
197	V	H	0.0000
198	S	H	-0.4850
199	E	L	-1.5065
200	I	L	0.0000
201	V	L	0.9018
202	L	L	0.0000
203	T	L	-0.7194
204	Q	L	0.0000
205	S	L	-0.6968
206	P	L	-0.3896
207	A	L	-0.2924
208	T	L	-0.4332
209	L	L	-0.2534
210	S	L	-0.7417
211	L	L	-0.8362
212	S	L	-1.2539
213	P	L	-1.8779
214	G	L	-1.8857
215	E	L	-2.4276
216	R	L	-2.5610
217	A	L	0.0000
218	T	L	-0.6796
219	L	L	0.0000
220	S	L	-0.8883
221	C	L	0.0000
222	R	L	-2.3731
223	A	L	0.0000
224	S	L	-0.7648
225	Q	L	-1.1191
226	S	L	-1.4276
227	I	L	0.0000
228	S	L	-0.6725
229	S	L	-0.3864
230	Y	L	0.2562
231	L	L	0.0000
232	A	L	0.0000
233	W	L	0.0000
234	Y	L	0.0000
235	Q	L	0.0000
236	Q	L	-1.2740
237	K	L	-2.3466
238	P	L	-1.4031
239	G	L	-1.4708
240	Q	L	-1.7887
241	A	L	-1.1477
242	P	L	0.0000
243	R	L	-0.9427
244	L	L	0.0000
245	L	L	0.0000
246	I	L	0.0000
247	Y	L	-0.6447
248	D	L	-0.7883
249	A	L	0.0000
250	S	L	-1.0231
251	N	L	-1.5723
252	R	L	-1.7028
253	A	L	0.0000
254	T	L	-0.6376
255	G	L	-0.5755
256	I	L	-0.3511
257	P	L	-0.3254
258	A	L	-0.3487
259	R	L	-0.6950
260	F	L	0.0000
261	S	L	-0.6368
262	G	L	-0.6982
263	S	L	-0.8200
264	G	L	-1.1811
265	S	L	-1.1368
266	G	L	-1.5643
267	T	L	0.0000
268	D	L	-2.5189
269	F	L	0.0000
270	T	L	-0.8443
271	L	L	0.0000
272	T	L	-0.5834
273	I	L	0.0000
274	S	L	-1.5941
275	S	L	-1.7522
276	L	L	0.0000
277	E	L	-2.2769
278	P	L	-1.9501
279	E	L	-2.4060
280	D	L	0.0000
281	F	L	-1.2422
282	A	L	0.0000
283	V	L	-0.5822
284	Y	L	0.0000
285	Y	L	0.0000
286	C	L	0.0000
287	Q	L	0.0000
288	Q	L	0.0000
289	R	L	-0.2111
290	S	L	0.0000
291	N	L	-0.3842
292	W	L	0.0000
293	P	L	-0.7713
294	L	L	0.0000
295	T	L	-0.2928
296	F	L	0.0000
297	G	L	0.0000
298	Q	L	-1.5672
299	G	L	-0.7409
300	T	L	0.0000
301	N	L	-0.7837
302	L	L	0.0000
303	E	L	-1.6960