Project name: b05b40428ef40f0

Chain sequence(s)	A: AIITVTPKSFGSPGSLGKLLCEVTPVSGQERFVWSSLDTPSQRSFSGPWLEAQEAQLLSQPWQCQLYQGERLLGAAVYFTEL; H: QVQLVQSGAEVKKPGASVKVSCKASGFTLTNYGMNWVRQARGQRLEWIGWINTDTGEPTYADDFKGRFVFSLDTSVSTAYLQISSLKAEDTAVYYCARNPPYYYGTNNAEAMDYWGQGTTVTVSS; 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                                          (00:02:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:44)

• Minimal score value: -3.1178
• Maximal score value: 2.1626
• Average score: -0.4392
• Total score value: -137.8975

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	0.3892
2	I	A	0.6601
3	I	A	0.1615
4	T	A	-0.0832
5	V	A	-0.0522
6	T	A	-0.4871
7	P	A	-1.0329
8	K	A	-1.5181
9	S	A	-0.6171
10	F	A	0.8766
11	G	A	-0.0231
12	S	A	-0.1391
13	P	A	-0.3548
14	G	A	-0.7849
15	S	A	-0.8930
16	L	A	-0.3793
17	G	A	0.0000
18	K	A	-0.7247
19	L	A	0.0000
20	L	A	-0.5057
21	C	A	0.0000
22	E	A	-1.0625
23	V	A	0.0132
24	T	A	0.2484
25	P	A	0.5158
26	V	A	1.0935
27	S	A	-0.0405
28	G	A	-0.8758
29	Q	A	-1.6844
30	E	A	-1.4592
31	R	A	-1.9658
32	F	A	-0.3882
33	V	A	-0.0839
34	W	A	0.0000
35	S	A	-0.2380
36	S	A	0.0000
37	L	A	0.1202
38	D	A	-1.5792
39	T	A	-0.9492
40	P	A	-0.7152
41	S	A	-0.3904
42	Q	A	-0.4752
43	R	A	0.0000
44	S	A	-0.0991
45	F	A	0.3436
46	S	A	-0.0809
47	G	A	-0.1603
48	P	A	-0.2301
49	W	A	0.1782
50	L	A	0.0000
51	E	A	-0.5535
52	A	A	-1.0668
53	Q	A	0.0000
54	E	A	-1.8394
55	A	A	-0.8710
56	Q	A	-0.4594
57	L	A	0.1572
58	L	A	1.2458
59	S	A	0.3258
60	Q	A	0.0000
61	P	A	0.0000
62	W	A	0.0000
63	Q	A	0.3807
64	C	A	0.0000
65	Q	A	0.0900
66	L	A	0.0000
67	Y	A	-1.0047
68	Q	A	-1.6333
69	G	A	-2.0651
70	E	A	-2.9089
71	R	A	-2.1965
72	L	A	-0.0022
73	L	A	0.7497
74	G	A	0.4166
75	A	A	0.5036
76	A	A	0.5115
77	V	A	1.3152
78	Y	A	1.4923
79	F	A	2.0903
80	T	A	1.0521
81	E	A	-0.4998
82	L	A	1.1067
83	Q	H	-1.4578
84	V	H	-0.7677
85	Q	H	-1.2717
86	L	H	0.0000
87	V	H	0.3159
88	Q	H	0.0000
89	S	H	-0.5334
90	G	H	-0.5851
91	A	H	-0.0042
92	E	H	0.0215
93	V	H	0.9229
94	K	H	-0.9126
95	K	H	-2.0819
96	P	H	-1.8404
97	G	H	-1.4304
98	A	H	-1.1581
99	S	H	-1.2166
100	V	H	0.0000
101	K	H	-1.9070
102	V	H	0.0000
103	S	H	-0.4705
104	C	H	0.0000
105	K	H	-0.5675
106	A	H	-0.3315
107	S	H	-0.7543
108	G	H	-0.9911
109	F	H	-0.2959
110	T	H	-0.0070
111	L	H	0.0000
112	T	H	-0.5133
113	N	H	-0.8176
114	Y	H	0.1596
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	-0.3171
121	Q	H	-0.7650
122	A	H	-1.4107
123	R	H	-2.2516
124	G	H	-1.7469
125	Q	H	-1.1474
126	R	H	0.0000
127	L	H	0.0000
128	E	H	-0.5214
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	-1.1091
136	D	H	-2.1389
137	T	H	-1.2441
138	G	H	-1.4681
139	E	H	-1.9247
140	P	H	-0.6361
141	T	H	-0.4510
142	Y	H	-0.8562
143	A	H	0.0000
144	D	H	-3.1178
145	D	H	-3.0267
146	F	H	-1.8440
147	K	H	-2.2222
148	G	H	-1.5046
149	R	H	-1.1796
150	F	H	0.0000
151	V	H	0.0133
152	F	H	0.0000
153	S	H	-0.1105
154	L	H	0.1744
155	D	H	-0.5913
156	T	H	-0.2346
157	S	H	0.1177
158	V	H	0.7544
159	S	H	-0.0517
160	T	H	0.0000
161	A	H	0.0000
162	Y	H	-0.3732
163	L	H	0.0000
164	Q	H	-1.1245
165	I	H	0.0000
166	S	H	-0.8942
167	S	H	-1.0262
168	L	H	0.0000
169	K	H	-2.3967
170	A	H	-1.8303
171	E	H	-2.2276
172	D	H	0.0000
173	T	H	-0.9456
174	A	H	0.0000
175	V	H	-0.2292
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	-0.2618
182	P	H	0.2590
183	P	H	0.7633
184	Y	H	1.9235
185	Y	H	2.1626
186	Y	H	1.4584
187	G	H	0.4878
188	T	H	-0.5657
189	N	H	0.0000
190	N	H	-0.8450
191	A	H	0.0000
192	E	H	-1.7851
193	A	H	0.0000
194	M	H	0.0000
195	D	H	-0.5013
196	Y	H	-0.1919
197	W	H	0.0000
198	G	H	0.0000
199	Q	H	-1.4560
200	G	H	-0.7327
201	T	H	0.0000
202	T	H	0.0155
203	V	H	0.0000
204	T	H	-0.2989
205	V	H	0.0000
206	S	H	-0.8340
207	S	H	-0.8321
208	D	L	-1.5988
209	I	L	-0.1347
210	Q	L	-0.8525
211	M	L	0.0802
212	T	L	0.0000
213	Q	L	0.0000
214	S	L	-0.3403
215	P	L	-0.6212
216	S	L	-0.7863
217	S	L	-1.0372
218	L	L	-0.6871
219	S	L	-1.0978
220	A	L	0.0000
221	S	L	-1.0621
222	V	L	-0.2895
223	G	L	-1.0460
224	D	L	-2.0933
225	R	L	-2.4389
226	V	L	0.0000
227	T	L	-0.4897
228	I	L	0.0000
229	T	L	-0.5435
230	C	L	0.0000
231	S	L	-1.3680
232	S	L	-1.5074
233	S	L	-1.1354
234	Q	L	-1.8035
235	D	L	-2.5989
236	I	L	-0.7344
237	S	L	-1.1065
238	N	L	-0.6848
239	Y	L	0.4568
240	L	L	0.0000
241	N	L	0.0000
242	W	L	0.0000
243	Y	L	0.0000
244	L	L	-0.4062
245	Q	L	-0.8986
246	K	L	-1.1545
247	P	L	-0.9411
248	G	L	-1.3597
249	Q	L	-1.9893
250	S	L	-1.4230
251	P	L	0.0000
252	Q	L	-1.3930
253	L	L	0.0000
254	L	L	0.0000
255	I	L	0.0000
256	Y	L	0.7199
257	Y	L	0.8190
258	T	L	0.0000
259	S	L	-0.0625
260	T	L	0.4862
261	L	L	0.7996
262	H	L	0.5421
263	L	L	1.3966
264	G	L	0.4084
265	V	L	0.4031
266	P	L	-0.1537
267	S	L	-0.4600
268	R	L	-0.9722
269	F	L	0.0000
270	S	L	-0.3691
271	G	L	-0.1692
272	S	L	-0.7829
273	G	L	-1.2355
274	S	L	-1.3446
275	G	L	-1.6084
276	T	L	-2.0465
277	E	L	-2.4710
278	F	L	0.0000
279	T	L	-0.6761
280	L	L	0.0000
281	T	L	-0.6426
282	I	L	0.0000
283	S	L	-1.5576
284	S	L	-1.4565
285	L	L	0.0000
286	Q	L	-1.1152
287	P	L	-1.0124
288	D	L	-1.6241
289	D	L	0.0000
290	F	L	-0.4082
291	A	L	0.0000
292	T	L	0.0000
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	0.2890
300	N	L	-0.2670
301	L	L	0.0000
302	P	L	-0.4374
303	W	L	0.0000
304	T	L	0.0000
305	F	L	0.0000
306	G	L	0.0000
307	Q	L	-0.5759
308	G	L	0.0000
309	T	L	0.0000
310	K	L	-1.8694
311	V	L	0.0000
312	E	L	-1.9228
313	I	L	-0.9883
314	K	L	-1.7211