Project name: cf1c9d0c8c1bf77

Chain sequence(s)	A: AIITVTPKSFGSPGSLGKLLCEVTPVSGQERFVWSSLDTPSQRSFSGPWLEAQEAQLLSQPWQCQLYQGERLLGAAVYFTEL; H: QVQLVQSGAEVKKPGASVKVSCKASGFTLTNYGMNWVRQARGQRLEWIGWINTDTGEPTYADDFKGRFVFSLDTSVSTAYLQISSLKAEDTAVYYCARNPPYYYGVNNAEAMDYWGQGTTVTVSS; L: DIQMTQSPSSLSASVGDRVTITCSSSQDISNYLNWYLQKPGQSPQLLIYYTSTLHLGVPSRFSGSGSGTEFTLTISSLQPDDFATYYCQQYYNLPWTFGQGTKVEIK
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                                          (00:03:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:38)

• Minimal score value: -3.124
• Maximal score value: 2.1835
• Average score: -0.4571
• Total score value: -143.5348

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	0.3903
2	I	A	0.6442
3	I	A	0.1278
4	T	A	-0.1300
5	V	A	-0.1214
6	T	A	-0.5690
7	P	A	-1.1434
8	K	A	-1.7147
9	S	A	-0.7092
10	F	A	0.8388
11	G	A	-0.0433
12	S	A	-0.1366
13	P	A	-0.3521
14	G	A	-0.8586
15	S	A	-0.9878
16	L	A	-0.3315
17	G	A	0.0000
18	K	A	-0.8483
19	L	A	0.0000
20	L	A	-0.6428
21	C	A	0.0000
22	E	A	-1.2036
23	V	A	-0.0471
24	T	A	0.2194
25	P	A	0.5006
26	V	A	1.0762
27	S	A	-0.0366
28	G	A	-0.8719
29	Q	A	-1.6701
30	E	A	-1.4535
31	R	A	-1.9351
32	F	A	-0.4584
33	V	A	-0.2266
34	W	A	0.0000
35	S	A	-0.3419
36	S	A	0.0000
37	L	A	0.0945
38	D	A	-1.6030
39	T	A	-0.9336
40	P	A	-0.6886
41	S	A	-0.3039
42	Q	A	-0.4018
43	R	A	0.0000
44	S	A	-0.3017
45	F	A	0.0000
46	S	A	-0.3043
47	G	A	-0.2981
48	P	A	-0.3728
49	W	A	-0.0377
50	L	A	0.0000
51	E	A	-0.6527
52	A	A	-1.2051
53	Q	A	0.0000
54	E	A	-2.0195
55	A	A	-1.0502
56	Q	A	-0.6883
57	L	A	-0.0140
58	L	A	1.1369
59	S	A	0.1921
60	Q	A	-0.2540
61	P	A	0.0000
62	W	A	0.0000
63	Q	A	0.3767
64	C	A	0.0000
65	Q	A	0.1284
66	L	A	0.0000
67	Y	A	-0.9227
68	Q	A	-1.5474
69	G	A	-2.0094
70	E	A	-2.8650
71	R	A	-2.1208
72	L	A	0.1264
73	L	A	0.8223
74	G	A	0.4659
75	A	A	0.5264
76	A	A	0.5000
77	V	A	1.3088
78	Y	A	1.4676
79	F	A	2.0691
80	T	A	0.9983
81	E	A	-0.5157
82	L	A	1.1070
83	Q	H	-1.4594
84	V	H	-0.7698
85	Q	H	-1.2664
86	L	H	0.0000
87	V	H	0.3536
88	Q	H	0.0000
89	S	H	-0.5136
90	G	H	-0.5695
91	A	H	0.0188
92	E	H	0.1097
93	V	H	0.9800
94	K	H	-0.8645
95	K	H	-2.0931
96	P	H	-1.8789
97	G	H	-1.4764
98	A	H	-1.1885
99	S	H	-1.2538
100	V	H	-0.8461
101	K	H	-1.7668
102	V	H	0.0000
103	S	H	-0.4363
104	C	H	0.0000
105	K	H	-0.5992
106	A	H	-0.3516
107	S	H	-0.7485
108	G	H	-0.9922
109	F	H	-0.2829
110	T	H	0.0171
111	L	H	0.0000
112	T	H	-0.4845
113	N	H	-0.7588
114	Y	H	0.2805
115	G	H	0.0000
116	M	H	0.0000
117	N	H	0.0000
118	W	H	0.0000
119	V	H	0.0000
120	R	H	-0.4111
121	Q	H	-0.9252
122	A	H	-1.5728
123	R	H	-2.3605
124	G	H	-1.9336
125	Q	H	-1.6028
126	R	H	-1.0041
127	L	H	0.0000
128	E	H	-0.5881
129	W	H	0.0000
130	I	H	0.0000
131	G	H	0.0000
132	W	H	0.0000
133	I	H	0.0000
134	N	H	0.0000
135	T	H	-1.1243
136	D	H	-2.1296
137	T	H	-1.2124
138	G	H	-1.6346
139	E	H	-2.4373
140	P	H	-0.8577
141	T	H	0.0000
142	Y	H	-0.8495
143	A	H	0.0000
144	D	H	-3.1240
145	D	H	-3.0690
146	F	H	0.0000
147	K	H	-2.1526
148	G	H	-1.5194
149	R	H	-1.2778
150	F	H	0.0000
151	V	H	-0.1095
152	F	H	0.0000
153	S	H	-0.0550
154	L	H	0.1808
155	D	H	-0.6413
156	T	H	-0.3068
157	S	H	0.0150
158	V	H	0.5457
159	S	H	-0.1531
160	T	H	0.0000
161	A	H	0.0000
162	Y	H	-0.3454
163	L	H	0.0000
164	Q	H	-1.0548
165	I	H	0.0000
166	S	H	-0.9489
167	S	H	-1.0830
168	L	H	0.0000
169	K	H	-2.4772
170	A	H	-1.8641
171	E	H	-2.2502
172	D	H	0.0000
173	T	H	-0.9595
174	A	H	0.0000
175	V	H	-0.2425
176	Y	H	0.0000
177	Y	H	0.0000
178	C	H	0.0000
179	A	H	0.0000
180	R	H	0.0000
181	N	H	-0.2536
182	P	H	0.2577
183	P	H	0.7731
184	Y	H	1.9300
185	Y	H	2.1835
186	Y	H	1.5993
187	G	H	0.6951
188	V	H	-0.2449
189	N	H	0.0000
190	N	H	-0.6682
191	A	H	0.0000
192	E	H	-1.7768
193	A	H	-0.8571
194	M	H	0.0000
195	D	H	-0.4127
196	Y	H	-0.1527
197	W	H	0.0000
198	G	H	0.0000
199	Q	H	-1.4317
200	G	H	-0.7244
201	T	H	0.0000
202	T	H	0.0206
203	V	H	0.0000
204	T	H	-0.2864
205	V	H	0.0000
206	S	H	-0.8337
207	S	H	-0.8373
208	D	L	-1.6539
209	I	L	-0.2331
210	Q	L	-0.9487
211	M	L	-0.1727
212	T	L	0.0000
213	Q	L	0.0000
214	S	L	-0.3740
215	P	L	-0.6012
216	S	L	-0.7835
217	S	L	-0.9483
218	L	L	-0.6554
219	S	L	-1.0675
220	A	L	0.0000
221	S	L	-1.0619
222	V	L	-0.2854
223	G	L	-1.0544
224	D	L	-2.1108
225	R	L	-2.4610
226	V	L	0.0000
227	T	L	-0.5032
228	I	L	0.0000
229	T	L	-0.5426
230	C	L	0.0000
231	S	L	-1.3627
232	S	L	-1.4644
233	S	L	-1.1006
234	Q	L	-1.5889
235	D	L	-2.4891
236	I	L	-0.6798
237	S	L	-1.0718
238	N	L	-0.6768
239	Y	L	0.4573
240	L	L	0.0000
241	N	L	0.0000
242	W	L	0.0000
243	Y	L	0.0000
244	L	L	-0.3593
245	Q	L	-0.8920
246	K	L	-1.3187
247	P	L	-0.9725
248	G	L	-1.3942
249	Q	L	-1.9950
250	S	L	-1.3892
251	P	L	0.0000
252	Q	L	-1.1866
253	L	L	0.0000
254	L	L	0.0000
255	I	L	0.0000
256	Y	L	0.7380
257	Y	L	0.8180
258	T	L	0.0000
259	S	L	-0.0557
260	T	L	0.4979
261	L	L	0.8228
262	H	L	0.6174
263	L	L	1.4156
264	G	L	0.4178
265	V	L	0.4128
266	P	L	-0.1504
267	S	L	-0.4666
268	R	L	-0.9885
269	F	L	0.0000
270	S	L	-0.3756
271	G	L	-0.1684
272	S	L	-0.7840
273	G	L	-1.2346
274	S	L	-1.3437
275	G	L	-1.6073
276	T	L	-2.0069
277	E	L	-2.4757
278	F	L	0.0000
279	T	L	-0.6755
280	L	L	0.0000
281	T	L	-0.6570
282	I	L	0.0000
283	S	L	-1.6060
284	S	L	-1.4798
285	L	L	0.0000
286	Q	L	-1.0912
287	P	L	-0.9762
288	D	L	-1.6208
289	D	L	0.0000
290	F	L	-0.2573
291	A	L	0.0000
292	T	L	-0.6737
293	Y	L	0.0000
294	Y	L	0.0000
295	C	L	0.0000
296	Q	L	0.0000
297	Q	L	0.0000
298	Y	L	0.0000
299	Y	L	0.2268
300	N	L	-0.4145
301	L	L	0.0000
302	P	L	-0.5332
303	W	L	0.0000
304	T	L	0.1100
305	F	L	0.0000
306	G	L	0.0000
307	Q	L	-0.8256
308	G	L	0.0000
309	T	L	0.0000
310	K	L	-1.5228
311	V	L	0.0000
312	E	L	-1.8012
313	I	L	-0.9221
314	K	L	-1.7321