Project name: query_structure

Chain sequence(s)	A: AAPRVITLSPANTELAFAAGITPVGVSSYSDYPPQAQKIEQVSTWQGMNLERIVALKPDLVIAWRGGNAERQVDQLASLGIKVMWVDATSIEQIANALRQLAPWSPQPDKAEQAAQSLLDQYAQLKAQYADKPKKRVFLQFGINPPFTSGKESIQNQVLEVCGGENIFKDSRVPWPQVSREQVLARSPQAIVITGGPDQIPKIKQYWGEQLKIPVIPLTSDWFERASPRIILAAQQLCNALSQVD; C: AAPRVITLSPANTELAFAAGITPVGVSSYSDYPPQAQKIEQVSTWQGMNLERIVALKPDLVIAWRGGNAERQVDQLASLGIKVMWVDATSIEQIANALRQLAPWSPQPDKAEQAAQSLLDQYAQLKAQYADKPKKRVFLQFGINPPFTSGKESIQNQVLEVCGGENIFKDSRVPWPQVSREQVLARSPQAIVITGGPDQIPKIKQYWGEQLKIPVIPLTSDWFERASPRIILAAQQLCNALSQVD; B: AAPRVITLSPANTELAFAAGITPVGVSSYSDYPPQAQKIEQVSTWQGMNLERIVALKPDLVIAWRGGNAERQVDQLASLGIKVMWVDATSIEQIANALRQLAPWSPQPDKAEQAAQSLLDQYAQLKAQYADKPKKRVFLQFGINPPFTSGKESIQNQVLEVCGGENIFKDSRVPWPQVSREQVLARSPQAIVITGGPDQIPKIKQYWGEQLKIPVIPLTSDWFERASPRIILAAQQLCNALSQVD; E: AAPRVITLSPANTELAFAAGITPVGVSSYSDYPPQAQKIEQVSTWQGMNLERIVALKPDLVIAWRGGNAERQVDQLASLGIKVMWVDATSIEQIANALRQLAPWSPQPDKAEQAAQSLLDQYAQLKAQYADKPKKRVFLQFGINPPFTSGKESIQNQVLEVCGGENIFKDSRVPWPQVSREQVLARSPQAIVITGGPDQIPKIKQYWGEQLKIPVIPLTSDWFERASPRIILAAQQLCNALSQVD; D: AAPRVITLSPANTELAFAAGITPVGVSSYSDYPPQAQKIEQVSTWQGMNLERIVALKPDLVIAWRGGNAERQVDQLASLGIKVMWVDATSIEQIANALRQLAPWSPQPDKAEQAAQSLLDQYAQLKAQYADKPKKRVFLQFGINPPFTSGKESIQNQVLEVCGGENIFKDSRVPWPQVSREQVLARSPQAIVITGGPDQIPKIKQYWGEQLKIPVIPLTSDWFERASPRIILAAQQLCNALSQVD; G: MQLVESGGGLVQPGGSLRLSCAAPESTLDDYAIGWFRQAPGKEREGVSCIGSSGDSTNYADSVKGRFTVSRDNAKNTVYLQMNDLRPEDTAVYYCAAAHRIFGGCLVIHSSGYVSWGQGTPVTVSS; F: AAPRVITLSPANTELAFAAGITPVGVSSYSDYPPQAQKIEQVSTWQGMNLERIVALKPDLVIAWRGGNAERQVDQLASLGIKVMWVDATSIEQIANALRQLAPWSPQPDKAEQAAQSLLDQYAQLKAQYADKPKKRVFLQFGINPPFTSGKESIQNQVLEVCGGENIFKDSRVPWPQVSREQVLARSPQAIVITGGPDQIPKIKQYWGEQLKIPVIPLTSDWFERASPRIILAAQQLCNALSQVD; I: MQLVESGGGLVQPGGSLRLSCAAPESTLDDYAIGWFRQAPGKEREGVSCIGSSGDSTNYADSVKGRFTVSRDNAKNTVYLQMNDLRPEDTAVYYCAAAHRIFGGCLVIHSSGYVSWGQGTPVTVSS; H: MQLVESGGGLVQPGGSLRLSCAAPESTLDDYAIGWFRQAPGKEREGVSCIGSSGDSTNYADSVKGRFTVSRDNAKNTVYLQMNDLRPEDTAVYYCAAAHRIFGGCLVIHSSGYVSWGQGTPVTVSS; K: MQLVESGGGLVQPGGSLRLSCAAPESTLDDYAIGWFRQAPGKEREGVSCIGSSGDSTNYADSVKGRFTVSRDNAKNTVYLQMNDLRPEDTAVYYCAAAHRIFGGCLVIHSSGYVSWGQGTPVTVSS; J: MQLVESGGGLVQPGGSLRLSCAAPESTLDDYAIGWFRQAPGKEREGVSCIGSSGDSTNYADSVKGRFTVSRDNAKNTVYLQMNDLRPEDTAVYYCAAAHRIFGGCLVIHSSGYVSWGQGTPVTVSS; L: MQLVESGGGLVQPGGSLRLSCAAPESTLDDYAIGWFRQAPGKEREGVSCIGSSGDSTNYADSVKGRFTVSRDNAKNTVYLQMNDLRPEDTAVYYCAAAHRIFGGCLVIHSSGYVSWGQGTPVTVSS
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,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                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:35:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:36:12)

• Minimal score value: -4.0003
• Maximal score value: 1.2624
• Average score: -0.755
• Total score value: -1680.6161

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
22	A	A	-0.0618
23	A	A	-0.4645
24	P	A	-0.7928
25	R	A	-1.4630
26	V	A	0.0000
27	I	A	0.0000
28	T	A	0.0000
29	L	A	0.0000
30	S	A	0.0000
31	P	A	-0.2169
32	A	A	-0.2518
33	N	A	0.0000
34	T	A	0.0000
35	E	A	0.0000
36	L	A	0.0000
37	A	A	0.0000
38	F	A	0.1985
39	A	A	-0.2158
40	A	A	0.0000
41	G	A	-0.9032
42	I	A	0.0000
43	T	A	-0.0885
44	P	A	0.0000
45	V	A	-0.2946
46	G	A	0.0000
47	V	A	0.0000
48	S	A	0.0000
49	S	A	0.0000
50	Y	A	-0.3279
51	S	A	0.0000
52	D	A	-1.5534
53	Y	A	-0.3020
54	P	A	-0.3239
55	P	A	-1.3102
56	Q	A	-1.6727
57	A	A	0.0000
58	Q	A	-2.6132
59	K	A	-2.7915
60	I	A	-1.8112
61	E	A	-1.8869
62	Q	A	-1.9247
63	V	A	0.0000
64	S	A	0.0000
65	T	A	-0.7974
66	W	A	0.0000
67	Q	A	-1.5335
68	G	A	-0.8989
69	M	A	-0.9574
70	N	A	-1.5198
71	L	A	-1.0682
72	E	A	-2.0358
73	R	A	-2.0112
74	I	A	0.0000
75	V	A	-0.7436
76	A	A	-1.0359
77	L	A	-1.1763
78	K	A	-2.0034
79	P	A	-1.7044
80	D	A	-2.1596
81	L	A	0.0000
82	V	A	0.0000
83	I	A	0.0000
84	A	A	0.0000
85	W	A	-0.2866
86	R	A	-0.7161
87	G	A	-0.7313
88	G	A	0.0000
89	N	A	-0.7104
90	A	A	-0.8661
91	E	A	-1.3957
92	R	A	-1.7158
93	Q	A	-1.1527
94	V	A	0.0000
95	D	A	0.0000
96	Q	A	-0.6921
97	L	A	0.0000
98	A	A	0.0000
99	S	A	-0.2215
100	L	A	0.7507
101	G	A	-0.4106
102	I	A	0.0000
103	K	A	-0.5700
104	V	A	0.0000
105	M	A	0.0000
106	W	A	-0.0582
107	V	A	0.0000
108	D	A	-0.4847
109	A	A	0.0000
110	T	A	-0.8474
111	S	A	0.0000
112	I	A	0.0000
113	E	A	0.0000
114	Q	A	0.0000
115	I	A	0.0000
116	A	A	0.0000
117	N	A	0.0000
118	A	A	0.0000
119	L	A	0.0000
120	R	A	-1.1074
121	Q	A	-0.4577
122	L	A	0.0000
123	A	A	0.0000
124	P	A	-0.6800
125	W	A	-0.5825
126	S	A	0.0000
127	P	A	-1.1273
128	Q	A	-2.2290
129	P	A	-2.2625
130	D	A	-3.1582
131	K	A	-2.5159
132	A	A	0.0000
133	E	A	-2.5914
134	Q	A	-2.2785
135	A	A	-1.5560
136	A	A	0.0000
137	Q	A	-1.6905
138	S	A	-1.3608
139	L	A	0.0000
140	L	A	0.0000
141	D	A	-2.0944
142	Q	A	-1.5689
143	Y	A	-1.1167
144	A	A	-1.4755
145	Q	A	-1.7820
146	L	A	0.0000
147	K	A	-1.7947
148	A	A	-1.4765
149	Q	A	-1.6475
150	Y	A	0.0000
151	A	A	-1.6226
152	D	A	-2.4832
153	K	A	-2.0168
154	P	A	-1.7113
155	K	A	-1.7770
156	K	A	0.0000
157	R	A	-1.6342
158	V	A	0.0000
159	F	A	0.0000
160	L	A	0.0000
161	Q	A	0.0000
162	F	A	0.0000
163	G	A	0.0000
164	I	A	0.0000
165	N	A	-0.8051
166	P	A	-0.8242
167	P	A	0.0000
168	F	A	0.0000
169	T	A	0.0000
170	S	A	0.0000
171	G	A	0.0000
172	K	A	-2.8967
173	E	A	-2.9248
174	S	A	-1.3056
175	I	A	0.0000
176	Q	A	0.0000
177	N	A	0.0000
178	Q	A	0.0000
179	V	A	0.0000
180	L	A	0.0000
181	E	A	-1.0382
182	V	A	0.0000
183	C	A	0.0000
184	G	A	0.0000
185	G	A	0.0000
186	E	A	-1.6234
187	N	A	0.0000
188	I	A	0.0000
189	F	A	0.0000
190	K	A	-2.4532
191	D	A	-2.9197
192	S	A	-2.1697
193	R	A	-2.4398
194	V	A	-0.9989
195	P	A	-1.3296
196	W	A	-0.4465
197	P	A	-0.6749
198	Q	A	-1.2417
199	V	A	0.0000
200	S	A	-1.5289
201	R	A	-2.0069
202	E	A	-2.6236
203	Q	A	-1.9581
204	V	A	0.0000
205	L	A	-1.0113
206	A	A	-1.0611
207	R	A	-1.1839
208	S	A	-0.6138
209	P	A	0.0000
210	Q	A	-1.1566
211	A	A	0.0000
212	I	A	0.0000
213	V	A	0.0000
214	I	A	0.0000
215	T	A	0.0000
216	G	A	-0.5680
217	G	A	-0.8280
218	P	A	-1.2466
219	D	A	-2.1387
220	Q	A	-1.7110
221	I	A	0.0000
222	P	A	-1.8248
223	K	A	-1.9897
224	I	A	0.0000
225	K	A	-2.6580
226	Q	A	-2.4250
227	Y	A	-1.7320
228	W	A	0.0000
229	G	A	-2.5672
230	E	A	-3.1939
231	Q	A	-2.6073
232	L	A	-1.9385
233	K	A	-2.4335
234	I	A	-1.0163
235	P	A	-0.5701
236	V	A	-0.2709
237	I	A	0.0000
238	P	A	0.0000
239	L	A	0.0000
240	T	A	-0.3352
241	S	A	-0.5629
242	D	A	-0.7901
243	W	A	0.0000
244	F	A	0.0000
245	E	A	-0.5774
246	R	A	-0.5618
247	A	A	-0.3511
248	S	A	0.0000
249	P	A	-0.0993
250	R	A	-0.2118
251	I	A	0.0000
252	I	A	0.1305
253	L	A	0.0773
254	A	A	0.0000
255	A	A	0.0000
256	Q	A	-0.1402
257	Q	A	0.0000
258	L	A	0.0000
259	C	A	0.0000
260	N	A	0.0000
261	A	A	-0.1145
262	L	A	0.0000
263	S	A	-0.5932
264	Q	A	-0.8152
265	V	A	0.0000
266	D	A	-1.9930
22	A	B	-0.0662
23	A	B	-0.4554
24	P	B	-0.7614
25	R	B	-1.4514
26	V	B	0.0000
27	I	B	0.0000
28	T	B	0.0000
29	L	B	0.0000
30	S	B	0.0000
31	P	B	-0.1838
32	A	B	-0.2381
33	N	B	0.0000
34	T	B	0.0000
35	E	B	0.0000
36	L	B	0.0000
37	A	B	0.0000
38	F	B	0.0374
39	A	B	-0.4132
40	A	B	0.0000
41	G	B	-1.1091
42	I	B	0.0000
43	T	B	-0.1531
44	P	B	0.0000
45	V	B	-0.2964
46	G	B	0.0000
47	V	B	0.0000
48	S	B	0.0000
49	S	B	-0.6201
50	Y	B	-0.2372
51	S	B	0.0000
52	D	B	-1.6767
53	Y	B	-0.4412
54	P	B	-0.4960
55	P	B	-1.3691
56	Q	B	-1.7377
57	A	B	0.0000
58	Q	B	-2.7822
59	K	B	-2.9330
60	I	B	-1.8997
61	E	B	-1.9206
62	Q	B	-2.0099
63	V	B	0.0000
64	S	B	0.0000
65	T	B	-0.7472
66	W	B	0.0000
67	Q	B	-1.3008
68	G	B	-0.8375
69	M	B	-1.0298
70	N	B	-1.6588
71	L	B	-1.2042
72	E	B	-2.0546
73	R	B	-2.0167
74	I	B	0.0000
75	V	B	-0.6622
76	A	B	-0.9911
77	L	B	-1.0908
78	K	B	-1.9257
79	P	B	-1.5652
80	D	B	-2.0021
81	L	B	0.0000
82	V	B	0.0000
83	I	B	0.0000
84	A	B	0.0000
85	W	B	-0.2560
86	R	B	-0.6819
87	G	B	-0.7513
88	G	B	0.0000
89	N	B	0.0000
90	A	B	-0.7193
91	E	B	-1.0470
92	R	B	-1.2536
93	Q	B	-1.1614
94	V	B	0.0000
95	D	B	0.0000
96	Q	B	-0.6146
97	L	B	0.0000
98	A	B	0.0000
99	S	B	-0.1739
100	L	B	1.0184
101	G	B	-0.3504
102	I	B	0.0000
103	K	B	-0.5276
104	V	B	0.0000
105	M	B	0.0000
106	W	B	-0.0575
107	V	B	0.0000
108	D	B	-0.4808
109	A	B	0.0000
110	T	B	-0.7498
111	S	B	0.0000
112	I	B	0.0000
113	E	B	-0.3355
114	Q	B	0.0000
115	I	B	0.0000
116	A	B	0.0000
117	N	B	0.0000
118	A	B	0.0000
119	L	B	0.0000
120	R	B	-1.2999
121	Q	B	-0.4685
122	L	B	0.0000
123	A	B	0.0000
124	P	B	-0.6827
125	W	B	-0.5667
126	S	B	0.0000
127	P	B	-1.2076
128	Q	B	-2.4666
129	P	B	-2.5919
130	D	B	-3.6116
131	K	B	-3.2841
132	A	B	0.0000
133	E	B	-3.1618
134	Q	B	-2.8901
135	A	B	-1.9612
136	A	B	0.0000
137	Q	B	-2.1370
138	S	B	-1.6570
139	L	B	0.0000
140	L	B	0.0000
141	D	B	-2.6405
142	Q	B	-2.1172
143	Y	B	-1.5480
144	A	B	-1.7843
145	Q	B	-2.3455
146	L	B	0.0000
147	K	B	-2.0446
148	A	B	-1.6339
149	Q	B	-2.0953
150	Y	B	-1.9457
151	A	B	-1.8302
152	D	B	-2.6180
153	K	B	-2.1370
154	P	B	-1.8254
155	K	B	-2.2518
156	K	B	0.0000
157	R	B	-1.8285
158	V	B	0.0000
159	F	B	0.0000
160	L	B	0.0000
161	Q	B	0.0000
162	F	B	0.0000
163	G	B	0.0000
164	I	B	0.0000
165	N	B	-0.7281
166	P	B	-0.7310
167	P	B	0.0000
168	F	B	0.0000
169	T	B	0.0000
170	S	B	0.0000
171	G	B	0.0000
172	K	B	-2.7714
173	E	B	-2.4361
174	S	B	-1.0935
175	I	B	0.0000
176	Q	B	0.0000
177	N	B	0.0000
178	Q	B	-0.9570
179	V	B	0.0000
180	L	B	0.0000
181	E	B	-1.3694
182	V	B	0.0000
183	C	B	0.0000
184	G	B	0.0000
185	G	B	0.0000
186	E	B	-2.0169
187	N	B	0.0000
188	I	B	0.0000
189	F	B	0.0000
190	K	B	-2.5883
191	D	B	-2.9005
192	S	B	-2.0600
193	R	B	-2.2405
194	V	B	-0.5216
195	P	B	-1.0397
196	W	B	-0.2493
197	P	B	-0.5736
198	Q	B	-1.2057
199	V	B	0.0000
200	S	B	-1.3683
201	R	B	-1.5659
202	E	B	-2.3013
203	Q	B	-1.8493
204	V	B	0.0000
205	L	B	-0.6650
206	A	B	-0.9239
207	R	B	-1.1416
208	S	B	-0.5668
209	P	B	0.0000
210	Q	B	-1.2556
211	A	B	0.0000
212	I	B	0.0000
213	V	B	0.0000
214	I	B	0.0000
215	T	B	0.0000
216	G	B	-0.5949
217	G	B	-0.9016
218	P	B	-1.2778
219	D	B	-2.1578
220	Q	B	-1.6265
221	I	B	-1.1582
222	P	B	-1.6504
223	K	B	-1.7889
224	I	B	0.0000
225	K	B	-2.2767
226	Q	B	-2.2618
227	Y	B	-1.4890
228	W	B	0.0000
229	G	B	-2.3507
230	E	B	-2.8828
231	Q	B	-2.1129
232	L	B	-1.7904
233	K	B	-2.0727
234	I	B	-0.9051
235	P	B	-0.6400
236	V	B	-0.0941
237	I	B	0.0000
238	P	B	-0.1581
239	L	B	0.0000
240	T	B	-0.2647
241	S	B	-0.4895
242	D	B	-0.7036
243	W	B	-0.1358
244	F	B	0.0000
245	E	B	-0.4861
246	R	B	-0.4810
247	A	B	-0.3282
248	S	B	0.0000
249	P	B	-0.0354
250	R	B	-0.0245
251	I	B	0.0000
252	I	B	0.0000
253	L	B	0.1421
254	A	B	0.0000
255	A	B	0.0000
256	Q	B	-1.1790
257	Q	B	-0.9889
258	L	B	0.0000
259	C	B	0.0000
260	N	B	-1.8443
261	A	B	-1.1874
262	L	B	0.0000
263	S	B	-1.4209
264	Q	B	-1.9099
265	V	B	0.0000
266	D	B	-2.3018
22	A	C	-0.0680
23	A	C	-0.4460
24	P	C	-0.7682
25	R	C	-1.2562
26	V	C	0.0000
27	I	C	0.0000
28	T	C	0.0000
29	L	C	0.0000
30	S	C	0.0000
31	P	C	-0.2559
32	A	C	-0.2683
33	N	C	0.0000
34	T	C	0.0000
35	E	C	0.0000
36	L	C	0.0000
37	A	C	0.0000
38	F	C	0.0336
39	A	C	-0.4260
40	A	C	0.0000
41	G	C	-1.0411
42	I	C	0.0000
43	T	C	-0.2391
44	P	C	0.0000
45	V	C	-0.2502
46	G	C	0.0000
47	V	C	0.0000
48	S	C	0.0000
49	S	C	0.0000
50	Y	C	-0.3244
51	S	C	0.0000
52	D	C	-2.0542
53	Y	C	-0.6199
54	P	C	-0.6507
55	P	C	-1.6568
56	Q	C	-2.1843
57	A	C	0.0000
58	Q	C	-3.0389
59	K	C	-3.1721
60	I	C	0.0000
61	E	C	-1.9524
62	Q	C	-1.9166
63	V	C	0.0000
64	S	C	0.0000
65	T	C	-0.7830
66	W	C	0.0000
67	Q	C	-1.5429
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