Project name: f87e872f6227a00

Chain sequence(s)	A: AIITVTPKSFGSPGSLGKLLCEVTPVSGQERFVWSSLDTPSQRSFSGPWLEAQEAQLLSQPWQCQLYQGERLLGAAVYFTEL; H: QVQLVESGGGVVQPGRSLRLSCVASGFTFSSYGMHWVRQAPGKGLEWVAIIWYDGSNKYYADSVKGRFTISRDNSKNTQYLQMNSLRAEDTAVYYCASVATSGDFDYYGMDVWGQGTTVTVSS; L: EIVLTQSPATLSLSPGERTTLSCRASQRISTYLAWYQQKPGQAPRLLIYDASKRATGIPARFSGSGSGTGFTLTISSLEPEDFAVYYCQQRSNWPLTFGGGTKVEIK
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                                          (00:03:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:14)

• Minimal score value: -3.0161
• Maximal score value: 2.1013
• Average score: -0.5441
• Total score value: -169.745

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	1.0771
2	I	A	2.0287
3	I	A	1.1231
4	T	A	0.5573
5	V	A	0.0830
6	T	A	-0.4337
7	P	A	-0.5298
8	K	A	-0.9442
9	S	A	-0.1023
10	F	A	0.9605
11	G	A	0.0695
12	S	A	-0.3148
13	P	A	-0.4996
14	G	A	-0.4511
15	S	A	0.1838
16	L	A	1.1579
17	G	A	-0.1703
18	K	A	-0.7514
19	L	A	0.0000
20	L	A	-0.3976
21	C	A	0.0000
22	E	A	-0.4181
23	V	A	0.0000
24	T	A	0.7970
25	P	A	0.8284
26	V	A	0.9471
27	S	A	-0.1104
28	G	A	-0.8380
29	Q	A	-2.0441
30	E	A	-1.4138
31	R	A	-1.5263
32	F	A	-0.3693
33	V	A	0.0072
34	W	A	0.0000
35	S	A	0.0000
36	S	A	0.0000
37	L	A	-0.2035
38	D	A	-1.6348
39	T	A	-0.9713
40	P	A	-0.4303
41	S	A	0.0000
42	Q	A	0.0000
43	R	A	0.3050
44	S	A	0.0000
45	F	A	0.1614
46	S	A	-0.1383
47	G	A	-0.2492
48	P	A	-0.3578
49	W	A	-0.1301
50	L	A	0.0000
51	E	A	-1.1405
52	A	A	-1.0700
53	Q	A	-1.2019
54	E	A	-1.7321
55	A	A	-0.6800
56	Q	A	0.0000
57	L	A	0.2140
58	L	A	0.8467
59	S	A	0.0000
60	Q	A	-0.0086
61	P	A	0.4985
62	W	A	0.0000
63	Q	A	0.3624
64	C	A	0.0000
65	Q	A	0.1195
66	L	A	0.0000
67	Y	A	-0.7872
68	Q	A	-1.6225
69	G	A	-2.1178
70	E	A	-2.7066
71	R	A	-2.2576
72	L	A	0.1692
73	L	A	0.1859
74	G	A	0.3260
75	A	A	0.4934
76	A	A	0.3310
77	V	A	1.0913
78	Y	A	1.4873
79	F	A	2.1013
80	T	A	0.6593
81	E	A	-0.2371
82	L	A	1.1600
83	Q	H	-1.3797
84	V	H	-0.9394
85	Q	H	-0.9896
86	L	H	0.0000
87	V	H	0.5839
88	E	H	0.0000
89	S	H	-0.3718
90	G	H	-0.8274
91	G	H	-0.3508
92	G	H	0.3002
93	V	H	1.2265
94	V	H	0.0000
95	Q	H	-1.6924
96	P	H	-1.8715
97	G	H	-2.1416
98	R	H	-2.8084
99	S	H	-2.1398
100	L	H	-2.0028
101	R	H	-2.2498
102	L	H	0.0000
103	S	H	0.0000
104	C	H	0.0000
105	V	H	0.5358
106	A	H	0.0000
107	S	H	-0.4136
108	G	H	-0.8544
109	F	H	-0.0691
110	T	H	0.2673
111	F	H	0.3054
112	S	H	-0.4097
113	S	H	-0.0988
114	Y	H	0.2458
115	G	H	0.0000
116	M	H	0.0000
117	H	H	0.0000
118	W	H	0.0000
119	V	H	0.0000
120	R	H	0.0000
121	Q	H	0.0000
122	A	H	-0.9375
123	P	H	-0.8983
124	G	H	-1.0660
125	K	H	-1.5068
126	G	H	-0.7797
127	L	H	0.0000
128	E	H	-0.5288
129	W	H	0.0000
130	V	H	0.0000
131	A	H	0.0000
132	I	H	0.0000
133	I	H	0.0000
134	W	H	0.0000
135	Y	H	-0.6532
136	D	H	-1.9201
137	G	H	-1.3728
138	S	H	-0.3771
139	N	H	0.0000
140	K	H	-0.7877
141	Y	H	-0.4994
142	Y	H	-0.9593
143	A	H	-1.1973
144	D	H	-2.5131
145	S	H	-2.0203
146	V	H	0.0000
147	K	H	-2.6076
148	G	H	-1.9982
149	R	H	-2.1225
150	F	H	0.0000
151	T	H	-1.1408
152	I	H	0.0000
153	S	H	-0.5280
154	R	H	-1.1588
155	D	H	-1.7341
156	N	H	-1.6351
157	S	H	-1.4560
158	K	H	-2.1817
159	N	H	-1.2942
160	T	H	-0.6177
161	Q	H	0.0000
162	Y	H	-0.2751
163	L	H	0.0000
164	Q	H	-1.6324
165	M	H	0.0000
166	N	H	-2.4103
167	S	H	-2.1016
168	L	H	0.0000
169	R	H	-3.0161
170	A	H	-1.9297
171	E	H	-2.7026
172	D	H	0.0000
173	T	H	-0.6801
174	A	H	0.0000
175	V	H	-0.1174
176	Y	H	0.0000
177	Y	H	0.0000
178	C	H	0.0000
179	A	H	0.0000
180	S	H	0.0000
181	V	H	0.0000
182	A	H	0.0000
183	T	H	-0.1988
184	S	H	-0.4726
185	G	H	-0.9494
186	D	H	-1.0910
187	F	H	0.8329
188	D	H	0.0533
189	Y	H	-0.1831
190	Y	H	0.0000
191	G	H	0.0000
192	M	H	0.0000
193	D	H	-1.5968
194	V	H	-1.0048
195	W	H	0.0000
196	G	H	0.0000
197	Q	H	-1.3128
198	G	H	-0.6769
199	T	H	-0.2920
200	T	H	0.1812
201	V	H	0.0000
202	T	H	0.0054
203	V	H	0.0000
204	S	H	-0.4443
205	S	H	-0.3753
206	E	L	-2.1101
207	I	L	0.0000
208	V	L	-0.6569
209	L	L	-0.5712
210	T	L	-0.7011
211	Q	L	-1.2676
212	S	L	-0.8887
213	P	L	-0.7249
214	A	L	-0.3524
215	T	L	-0.3081
216	L	L	0.0695
217	S	L	-0.4634
218	L	L	-0.7766
219	S	L	-1.3507
220	P	L	-1.6730
221	G	L	-1.3971
222	E	L	-1.9854
223	R	L	-2.5486
224	T	L	-1.1504
225	T	L	-0.5836
226	L	L	0.0000
227	S	L	-0.7034
228	C	L	-1.0111
229	R	L	-2.3800
230	A	L	-1.8437
231	S	L	-1.5448
232	Q	L	-2.2573
233	R	L	-2.7697
234	I	L	0.0000
235	S	L	-0.7276
236	T	L	-0.4413
237	Y	L	0.0000
238	L	L	0.0000
239	A	L	0.0000
240	W	L	0.0000
241	Y	L	0.0000
242	Q	L	0.0000
243	Q	L	0.0000
244	K	L	-1.3624
245	P	L	-0.8671
246	G	L	-1.3419
247	Q	L	-2.0302
248	A	L	-1.5209
249	P	L	0.0000
250	R	L	-2.3347
251	L	L	0.0000
252	L	L	0.0000
253	I	L	0.0000
254	Y	L	-1.4014
255	D	L	-1.8595
256	A	L	0.0000
257	S	L	-1.7580
258	K	L	-2.5497
259	R	L	-2.0568
260	A	L	0.0000
261	T	L	-0.9980
262	G	L	-0.5428
263	I	L	-0.7043
264	P	L	-0.3479
265	A	L	-0.3532
266	R	L	-0.8356
267	F	L	0.0000
268	S	L	-0.9523
269	G	L	-1.0662
270	S	L	-0.9755
271	G	L	-1.0331
272	S	L	-1.2133
273	G	L	-1.5472
274	T	L	-1.8288
275	G	L	-1.4829
276	F	L	0.0000
277	T	L	-0.6532
278	L	L	0.0000
279	T	L	-0.6596
280	I	L	0.0000
281	S	L	-1.4047
282	S	L	-1.7202
283	L	L	0.0000
284	E	L	-2.0235
285	P	L	-1.7364
286	E	L	-2.0407
287	D	L	0.0000
288	F	L	-0.6242
289	A	L	0.0000
290	V	L	-0.1855
291	Y	L	0.0000
292	Y	L	0.0000
293	C	L	-0.2615
294	Q	L	0.0000
295	Q	L	-0.4127
296	R	L	0.0000
297	S	L	-0.0071
298	N	L	0.0000
299	W	L	0.6535
300	P	L	0.4194
301	L	L	0.4574
302	T	L	0.0429
303	F	L	0.0000
304	G	L	-0.0989
305	G	L	-0.4399
306	G	L	-0.4037
307	T	L	-0.3460
308	K	L	-0.5388
309	V	L	0.0000
310	E	L	-0.9419
311	I	L	-1.3213
312	K	L	-1.7282