Project name: 11.07.nb.selen

Chain sequence(s)	H: QVQLVESGGGLVQPGGSLRLSCAASGDSSFDFTTYSLGWFRQAPGQGLEAVAAISSDGQYTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAASPRPVVRSMKPEEYQYWGQGTLVTVS; T: LTSSERIDKQIRYILDGISALRKETCNKSNMCESSKEALAENNLNLPKMAEKDGCFQSGFNEETCLVKIITGLLEFEVYLEYLQNRFESSEEQARAVQMSTKVLIQFLQKKAKNLDAITTPDPTTNASLLTKLQAQNQWLQDMTTHLILRSFKEFLQSSLRALRQM
Selected Chain(s)	H,T
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:23)

• Minimal score value: -3.2887
• Maximal score value: 1.6262
• Average score: -0.9724
• Total score value: -284.9149

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	Q	H	-1.7091
2	V	H	-1.3353
3	Q	H	-1.2771
4	L	H	0.0000
5	V	H	1.2089
6	E	H	0.0000
7	S	H	-0.1627
8	G	H	-0.7833
9	G	H	0.1183
10	G	H	0.6744
11	L	H	1.3321
12	V	H	0.0000
13	Q	H	-1.5360
14	P	H	-1.9736
15	G	H	-1.7193
16	G	H	-1.2365
17	S	H	-1.4746
18	L	H	-1.1100
19	R	H	-2.3690
20	L	H	0.0000
21	S	H	-0.4626
22	C	H	0.0000
23	A	H	-0.1773
24	A	H	0.0000
25	S	H	-1.2395
26	G	H	-1.7496
27	D	H	-1.6724
28	S	H	-0.8569
29	S	H	-0.4878
30	F	H	-0.6297
31	D	H	-0.6932
32	F	H	0.0000
33	T	H	-0.8857
34	T	H	0.0000
35	Y	H	0.0000
36	S	H	0.0000
37	L	H	0.0000
38	G	H	0.0000
39	W	H	0.0000
40	F	H	0.0000
41	R	H	0.0000
42	Q	H	-0.6388
43	A	H	-0.9613
44	P	H	-0.9794
45	G	H	-1.2961
46	Q	H	-1.8087
47	G	H	-1.1804
48	L	H	-0.5461
49	E	H	-0.8891
50	A	H	-0.6338
51	V	H	0.0000
52	A	H	0.0000
53	A	H	0.0000
54	I	H	0.0000
55	S	H	0.0000
56	S	H	0.0000
57	D	H	-2.3533
58	G	H	-1.7465
59	Q	H	-1.7343
60	Y	H	-0.7763
61	T	H	0.0274
62	Y	H	0.2166
63	Y	H	-0.6442
64	A	H	-1.2140
65	D	H	-2.4154
66	S	H	-1.7856
67	V	H	0.0000
68	K	H	-2.5663
69	G	H	-1.9216
70	R	H	-1.9463
71	F	H	0.0000
72	T	H	-1.0683
73	I	H	0.0000
74	S	H	-0.5906
75	R	H	0.0000
76	D	H	-1.9610
77	N	H	-1.9916
78	S	H	-1.6337
79	K	H	-2.4564
80	N	H	-1.9163
81	T	H	-1.0523
82	L	H	0.0000
83	Y	H	0.0000
84	L	H	0.0000
85	Q	H	-1.7749
86	M	H	0.0000
87	N	H	-2.2335
88	S	H	-1.7064
89	L	H	0.0000
90	R	H	-3.0564
91	A	H	-2.0987
92	E	H	-2.4717
93	D	H	0.0000
94	T	H	-0.5514
95	A	H	0.0000
96	V	H	0.8101
97	Y	H	0.0000
98	Y	H	0.4166
99	C	H	0.0000
100	A	H	0.0000
101	A	H	0.0000
102	S	H	0.0000
103	P	H	-0.5938
104	R	H	-0.6539
105	P	H	0.0000
106	V	H	0.0000
107	V	H	0.0000
108	R	H	-0.8374
109	S	H	-1.1362
110	M	H	-1.1786
111	K	H	-2.5119
112	P	H	-2.0632
113	E	H	-2.8901
114	E	H	-2.3610
115	Y	H	0.0000
116	Q	H	-1.4942
117	Y	H	-0.5486
118	W	H	0.0371
119	G	H	-0.0109
120	Q	H	-0.6419
121	G	H	0.0000
122	T	H	0.6980
123	L	H	1.6262
124	V	H	0.0000
125	T	H	0.2217
126	V	H	0.0000
127	S	H	-0.9587
128	L	T	0.4830
129	T	T	-0.0450
130	S	T	-0.8280
131	S	T	-1.1143
132	E	T	-1.4135
133	R	T	-0.9632
134	I	T	0.0000
135	D	T	-1.9209
136	K	T	-1.5364
137	Q	T	0.0000
138	I	T	0.0000
139	R	T	-2.3017
140	Y	T	-1.3792
141	I	T	0.0000
142	L	T	-1.7324
143	D	T	-2.1854
144	G	T	-1.1859
145	I	T	0.0000
146	S	T	-1.5909
147	A	T	-1.3588
148	L	T	0.0000
149	R	T	-2.2759
150	K	T	-2.9493
151	E	T	-2.6230
152	T	T	-2.1883
153	C	T	-2.6632
154	N	T	-3.1751
155	K	T	-3.1187
156	S	T	-2.0047
157	N	T	-2.6194
158	M	T	-1.2449
159	C	T	-1.9864
160	E	T	-2.0795
161	S	T	-1.9244
162	S	T	-2.1406
163	K	T	-2.7341
164	E	T	-2.3856
165	A	T	-0.7019
166	L	T	0.6344
167	A	T	-0.4225
168	E	T	-2.2186
169	N	T	-1.7578
170	N	T	-2.4282
171	L	T	-1.5288
172	N	T	-2.0913
173	L	T	-1.1582
174	P	T	-1.5247
175	K	T	-2.2101
176	M	T	0.0000
177	A	T	-1.7869
178	E	T	-2.6389
179	K	T	-2.6308
180	D	T	0.0000
181	G	T	0.0000
182	C	T	0.0000
183	F	T	-1.0726
184	Q	T	-1.5440
185	S	T	-1.1715
186	G	T	-1.4324
187	F	T	-1.3439
188	N	T	-1.9424
189	E	T	-2.1448
190	E	T	-2.5793
191	T	T	-1.4284
192	C	T	0.0000
193	L	T	0.0000
194	V	T	-0.3462
195	K	T	-0.7164
196	I	T	0.0000
197	I	T	0.0000
198	T	T	-0.1242
199	G	T	0.0000
200	L	T	0.0000
201	L	T	-0.7339
202	E	T	-1.6243
203	F	T	0.0000
204	E	T	-1.3958
205	V	T	0.0000
206	Y	T	0.0000
207	L	T	0.0000
208	E	T	-1.4480
209	Y	T	0.0000
210	L	T	0.0000
211	Q	T	-2.1011
212	N	T	-2.3706
213	R	T	-2.0670
214	F	T	0.0000
215	E	T	-2.7634
216	S	T	-1.6889
217	S	T	-1.7183
218	E	T	-2.6046
219	E	T	-2.0725
220	Q	T	-1.4882
221	A	T	0.0000
222	R	T	-1.5147
223	A	T	-0.9469
224	V	T	0.0000
225	Q	T	0.0000
226	M	T	-0.8119
227	S	T	0.0000
228	T	T	0.0000
229	K	T	-1.2189
230	V	T	0.0000
231	L	T	0.0000
232	I	T	-0.9385
233	Q	T	-1.7011
234	F	T	0.0000
235	L	T	0.0000
236	Q	T	-2.1249
237	K	T	-2.7613
238	K	T	-2.3269
239	A	T	0.0000
240	K	T	-3.2887
241	N	T	-2.8745
242	L	T	-2.1731
243	D	T	-2.1957
244	A	T	-0.9962
245	I	T	-0.1340
246	T	T	-0.3612
247	T	T	-0.5693
248	P	T	-1.1786
249	D	T	-1.6217
250	P	T	-0.9584
251	T	T	-0.6470
252	T	T	-0.6005
253	N	T	-1.0237
254	A	T	-0.5299
255	S	T	-0.5038
256	L	T	-0.4140
257	L	T	-0.7663
258	T	T	-1.0222
259	K	T	-1.8900
260	L	T	0.0000
261	Q	T	-1.8345
262	A	T	-1.4787
263	Q	T	-1.7910
264	N	T	-1.8298
265	Q	T	-1.5026
266	W	T	0.1759
267	L	T	-0.2884
268	Q	T	-0.7983
269	D	T	-0.7420
270	M	T	0.0000
271	T	T	0.0000
272	T	T	0.0000
273	H	T	-0.9939
274	L	T	-0.6825
275	I	T	0.0000
276	L	T	0.0000
277	R	T	-2.2937
278	S	T	-2.0475
279	F	T	0.0000
280	K	T	-2.1986
281	E	T	-2.9198
282	F	T	0.0000
283	L	T	0.0000
284	Q	T	-1.8666
285	S	T	-1.4570
286	S	T	0.0000
287	L	T	-2.1326
288	R	T	-2.7932
289	A	T	0.0000
290	L	T	0.0000
291	R	T	-3.0604
292	Q	T	-2.5449
293	M	T	-1.5333