Project name: query_structure

Chain sequence(s)	A: ASVIKPEMKIKLRMEGAVNGHKFVIEGEGIGKPYEGTQTLDLTVEEGAPLPFSYDILTPAFYYYNRAFTKYPEDIPDYFKQAFPEGYSWERSMTYEDQGICIATSDITMEGDCFFYEIRFDGTNFPPNGPVMQKKTLKWEPSTEKMYVEDGVLKGDVEMALLLEGGGHYRCDFKTTYKKAKKDVVRLPDAHEVDHRRIEILSHDKDYNKVRLYEHAEARYS; C: ASVIKPEMKIKLRMMEGAVNGHKFVIEGEGIGKPYEGTQTLDLTVEEGAPLPFSYDILTPAFYYYNRAFTKYPEDIPDYFKQAFPEGYSWERSMTYEDQGICIATSDITMEGDCFFYEIRFDGTNFPPNGPVMQKKTTLKWEPSTEKMYVEDGVLKGDVEMALLLEGGGHYRCDFKTTYKAKKDVRLPDAHEVDHRIEILSHDKDYNKVRLYEHAEARYSGG; B: SQVQLVESSGGGLVQQAGGSLRRLSCAASGFPVGRASMWWYRQAPPGKEREWVAAISSYGWVTAYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYYCEVSSVGTGYRGQGTQVTTVSAG; D: VQLVESGGGLVQAGGSLRLSCAASGGFFPPVVGGRRASMMWWYRQAPGKERREWVAAISSYGWVTAYADSVKGRFTISRDDNNAAKKNNTTVYLQMNSLKPEDTAVYYCEVSSVGTGYRGQGTQVTVSAGRAGE
Selected Chain(s)	A,C,B,D
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                                          (00:14:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:14)

• Minimal score value: -3.8543
• Maximal score value: 1.2253
• Average score: -0.9241
• Total score value: -617.2788

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
2	A	A	0.0264
3	S	A	-0.0973
4	V	A	-0.2679
5	I	A	0.0000
6	K	A	-1.7784
7	P	A	-1.4718
8	E	A	-2.4489
9	M	A	0.0000
10	K	A	-2.7772
11	I	A	0.0000
12	K	A	-2.3319
13	L	A	0.0000
14	R	A	-2.3417
15	M	A	0.0000
16	E	A	-2.0104
17	G	A	0.0000
18	A	A	0.0000
19	V	A	0.0000
20	N	A	-1.2187
21	G	A	-1.3255
22	H	A	-1.4510
23	K	A	-2.4304
24	F	A	0.0000
25	V	A	-2.0605
26	I	A	0.0000
27	E	A	-2.6226
28	G	A	0.0000
29	E	A	-3.0575
30	G	A	-1.9046
31	I	A	-1.5420
32	G	A	0.0000
33	K	A	-1.2416
34	P	A	0.0000
35	Y	A	-0.3444
36	E	A	-0.8507
37	G	A	0.0000
38	T	A	0.0000
39	Q	A	0.0000
40	T	A	-0.8669
41	L	A	0.0000
42	D	A	-2.7383
43	L	A	0.0000
44	T	A	-2.2870
45	V	A	0.0000
46	E	A	-3.1950
47	E	A	-3.1707
48	G	A	-1.9061
49	A	A	-1.5524
50	P	A	-1.3746
51	L	A	0.0000
52	P	A	-0.8692
53	F	A	0.0000
54	S	A	0.0000
55	Y	A	0.0000
56	D	A	-0.3844
57	I	A	0.0000
58	L	A	0.0000
59	T	A	0.0000
60	P	A	-0.0667
61	A	A	0.0000
62	F	A	0.0000
66	N	A	-0.1872
67	R	A	0.0000
68	A	A	0.0000
69	F	A	0.0000
70	T	A	0.0000
71	K	A	-1.4811
72	Y	A	-1.4094
73	P	A	-1.7847
74	E	A	-2.8190
75	D	A	-2.6926
76	I	A	0.0000
77	P	A	-1.6239
78	D	A	-1.1670
79	Y	A	0.0000
80	F	A	0.0000
81	K	A	-0.2654
82	Q	A	-1.2950
83	A	A	0.0000
84	F	A	0.0000
85	P	A	-1.3271
86	E	A	-2.0915
87	G	A	0.0000
88	Y	A	0.0000
89	S	A	-0.8811
90	W	A	0.0000
91	E	A	0.0000
92	R	A	0.0000
93	S	A	0.0000
94	M	A	0.0000
95	T	A	-1.8120
96	Y	A	0.0000
97	E	A	-3.0013
98	D	A	-2.0881
99	Q	A	-1.9082
100	G	A	0.0000
101	I	A	0.0000
102	C	A	0.0000
103	I	A	0.0000
104	A	A	0.0000
105	T	A	0.0000
106	S	A	0.0000
107	D	A	-1.1761
108	I	A	0.0000
109	T	A	-0.9980
110	M	A	-1.4745
111	E	A	-2.5432
112	G	A	-2.3340
113	D	A	-3.1272
114	C	A	-2.5245
115	F	A	0.0000
116	F	A	-1.0676
117	Y	A	0.0000
118	E	A	-2.5182
119	I	A	0.0000
120	R	A	-1.3853
121	F	A	0.0000
122	D	A	0.0000
123	G	A	0.0000
124	T	A	0.0000
125	N	A	-1.1280
126	F	A	0.0000
127	P	A	-1.1098
128	P	A	-1.1792
129	N	A	-1.9220
130	G	A	-1.4981
131	P	A	-1.7970
132	V	A	0.0000
133	M	A	-1.4384
134	Q	A	-2.2318
135	K	A	-2.8323
136	K	A	-2.8016
137	T	A	-1.5302
138	L	A	-0.5901
139	K	A	-0.3347
140	W	A	0.0000
141	E	A	-0.8606
142	P	A	-0.8676
143	S	A	-1.0800
144	T	A	-1.3707
145	E	A	0.0000
146	K	A	-1.8602
147	M	A	0.0000
148	Y	A	-0.7672
149	V	A	-0.8834
150	E	A	-2.4519
151	D	A	-2.7124
152	G	A	-1.8645
153	V	A	-1.1930
154	L	A	0.0000
155	K	A	-1.2205
156	G	A	0.0000
157	D	A	-2.2841
158	V	A	0.0000
159	E	A	-3.1855
160	M	A	0.0000
161	A	A	-1.7874
162	L	A	0.0000
163	L	A	-0.9447
164	L	A	-1.5458
165	E	A	-2.6289
166	G	A	-1.7433
167	G	A	-1.3372
168	G	A	-1.3424
169	H	A	-1.4283
170	Y	A	0.0000
171	R	A	-2.8510
172	C	A	0.0000
173	D	A	-3.4563
174	F	A	0.0000
175	K	A	-2.3168
176	T	A	0.0000
177	T	A	0.0000
178	Y	A	0.0000
179	K	A	-1.3973
180	A	A	-2.1543
181	K	A	-3.2168
182	K	A	-3.5457
183	D	A	-3.2697
184	V	A	-2.2207
185	R	A	-2.1752
186	L	A	-0.9682
187	P	A	0.0000
188	D	A	-1.5973
189	A	A	-0.8236
190	H	A	0.0000
191	E	A	-1.3930
192	V	A	0.0000
193	D	A	-1.5454
194	H	A	-1.0062
195	R	A	-0.7919
196	I	A	-0.2060
197	E	A	0.0000
198	I	A	-0.0374
199	L	A	0.0000
200	S	A	-1.2334
201	H	A	-2.2537
202	D	A	-2.6354
203	K	A	-3.1171
204	D	A	-3.0754
205	Y	A	-2.1159
206	N	A	-2.4824
207	K	A	-3.1864
208	V	A	0.0000
209	R	A	-2.1079
210	L	A	0.0000
211	Y	A	0.0000
212	E	A	-0.2405
213	H	A	-0.8299
214	A	A	0.0000
215	E	A	-1.7613
216	A	A	0.0000
217	R	A	-1.0650
218	Y	A	-0.3187
219	S	A	-0.2023
0	S	B	-0.9092
1	Q	B	-1.5663
2	V	B	-1.0587
3	Q	B	-1.4648
4	L	B	0.0000
5	V	B	0.2185
6	E	B	0.0000
7	S	B	-0.6724
8	G	B	-1.1566
9	G	B	-0.7488
10	G	B	0.0828
11	L	B	1.1461
12	V	B	0.1220
13	Q	B	-1.2705
14	A	B	-1.5147
15	G	B	-1.3833
16	G	B	-0.8580
17	S	B	-1.1575
18	L	B	-0.8569
19	R	B	-2.0408
20	L	B	0.0000
21	S	B	-0.3714
22	C	B	0.0000
23	A	B	-0.1770
24	A	B	-0.5099
25	S	B	-0.7885
26	G	B	-0.7423
27	F	B	-0.3224
28	P	B	-0.2223
29	V	B	-0.1728
30	G	B	-0.7871
31	R	B	-0.9163
32	A	B	-0.4651
33	S	B	0.0000
34	M	B	0.0000
35	W	B	0.0000
36	W	B	0.0000
37	Y	B	0.0000
38	R	B	0.0000
39	Q	B	-2.1338
40	A	B	-2.0168
41	P	B	-1.4895
42	G	B	-2.0415
43	K	B	-3.4249
44	E	B	-3.7373
45	R	B	-3.1342
46	E	B	-2.2786
47	W	B	0.0000
48	V	B	0.0000
49	A	B	0.0000
50	A	B	0.0000
51	I	B	0.0000
52	S	B	0.0000
53	S	B	0.0000
54	Y	B	-0.1522
55	G	B	-0.2902
56	W	B	0.0562
57	V	B	0.0000
58	T	B	-0.1415
59	A	B	0.0000
60	Y	B	-0.9785
61	A	B	0.0000
62	D	B	-2.5507
63	S	B	-1.7279
64	V	B	0.0000
65	K	B	-2.5828
66	G	B	-1.7658
67	R	B	-1.6339
68	F	B	0.0000
69	T	B	-0.7852
70	I	B	0.0000
71	S	B	-0.4307
72	R	B	-1.0456
73	D	B	-1.6865
74	N	B	-1.8683
75	A	B	-1.3578
76	K	B	-1.9564
77	N	B	0.0000
78	T	B	-0.7061
79	V	B	0.0000
80	Y	B	-0.4213
81	L	B	0.0000
82	Q	B	-1.0766
83	M	B	0.0000
84	N	B	-1.4006
85	S	B	-1.2469
86	L	B	0.0000
87	K	B	-2.3918
88	P	B	-1.8796
89	E	B	-2.3042
90	D	B	0.0000
91	T	B	-0.8997
92	A	B	0.0000
93	V	B	-0.5259
94	Y	B	0.0000
95	Y	B	-0.5811
96	C	B	0.0000
97	E	B	-0.4783
98	V	B	0.0000
99	S	B	0.0000
100	V	B	0.0000
101	G	B	-1.0269
102	T	B	-0.6240
103	G	B	-0.5698
104	Y	B	-0.3632
105	R	B	-1.6058
106	G	B	0.0000
107	Q	B	-1.4785
108	G	B	0.0000
109	T	B	-0.7109
110	Q	B	-1.0951
111	V	B	0.0000
112	T	B	-0.2862
113	V	B	0.0000
114	S	B	-0.8278
115	A	B	-1.0436
116	G	B	-0.9600
2	A	C	-0.1471
3	S	C	-0.2222
4	V	C	-0.2063
5	I	C	0.0000
6	K	C	-2.0358
7	P	C	-1.6511
8	E	C	-2.7067
9	M	C	0.0000
10	K	C	-2.8515
11	I	C	0.0000
12	K	C	-2.8202
13	L	C	0.0000
14	R	C	-3.3563
15	M	C	0.0000
16	E	C	-2.8542
17	G	C	0.0000
18	A	C	0.0000
19	V	C	0.0000
20	N	C	-1.1618
21	G	C	-1.2088
22	H	C	-1.3899
23	K	C	-2.5089
24	F	C	0.0000
25	V	C	-2.4690
26	I	C	0.0000
27	E	C	-3.1108
28	G	C	0.0000
29	E	C	-3.1953
30	G	C	-1.8273
31	I	C	-1.4458
32	G	C	0.0000
33	K	C	-1.4111
34	P	C	0.0000
35	Y	C	-0.4233
36	E	C	-0.6993
37	G	C	0.0000
38	T	C	0.0000
39	Q	C	0.0000
40	T	C	0.0000
41	L	C	0.0000
42	D	C	-2.3512
43	L	C	0.0000
44	T	C	-2.3295
45	V	C	0.0000
46	E	C	-3.3489
47	E	C	-3.2570
48	G	C	-1.9034
49	A	C	-1.5516
50	P	C	-1.2509
51	L	C	0.0000
52	P	C	-0.9696
53	F	C	0.0000
54	S	C	0.0000
55	Y	C	0.0000
56	D	C	0.0000
57	I	C	0.0000
58	L	C	0.0000
59	T	C	0.0000
60	P	C	-0.0516
61	A	C	0.0000
62	F	C	0.0000
66	N	C	0.0000
67	R	C	0.0000
68	A	C	0.0000
69	F	C	0.0000
70	T	C	0.0000
71	K	C	-1.4556
72	Y	C	-1.3669
73	P	C	-1.8427
74	E	C	-2.8360
75	D	C	-2.9092
76	I	C	0.0000
77	P	C	-1.6642
78	D	C	-1.1582
79	Y	C	0.0000
80	F	C	0.0000
81	K	C	0.0000
82	Q	C	-1.2484
83	A	C	0.0000
84	F	C	0.0000
85	P	C	-1.1790
86	E	C	-1.8084
87	G	C	0.0000
88	Y	C	0.0000
89	S	C	-0.9791
90	W	C	0.0000
91	E	C	0.0000
92	R	C	0.0000
93	S	C	0.0000
94	M	C	0.0000
95	T	C	-1.8759
96	Y	C	0.0000
97	E	C	-3.1772
98	D	C	-2.3258
99	Q	C	-1.9014
100	G	C	0.0000
101	I	C	0.0000
102	C	C	0.0000
103	I	C	0.0000
104	A	C	0.0000
105	T	C	0.0000
106	S	C	0.0000
107	D	C	-1.0579
108	I	C	0.0000
109	T	C	-0.9286
110	M	C	-1.3409
111	E	C	-2.3242
112	G	C	-1.9566
113	D	C	-2.3626
114	C	C	-2.3100
115	F	C	0.0000
116	F	C	-1.4525
117	Y	C	0.0000
118	E	C	-2.8583
119	I	C	0.0000
120	R	C	-1.6933
121	F	C	0.0000
122	D	C	0.0000
123	G	C	0.0000
124	T	C	0.0000
125	N	C	-1.1154
126	F	C	0.0000
127	P	C	-1.1274
128	P	C	-1.2510
129	N	C	-1.9863
130	G	C	0.0000
131	P	C	-1.7676
132	V	C	0.0000
133	M	C	-1.5655
134	Q	C	-2.5827
135	K	C	-2.7030
136	K	C	-2.4871
137	T	C	-1.2318
138	L	C	-0.1268
139	K	C	-0.1908
140	W	C	0.0000
141	E	C	-0.8662
142	P	C	-0.7912
143	S	C	-1.0047
144	T	C	-1.3002
145	E	C	0.0000
146	K	C	-1.8213
147	M	C	0.0000
148	Y	C	-0.8978
149	V	C	-1.1321
150	E	C	-2.5627
151	D	C	-2.7983
152	G	C	-2.0757
153	V	C	0.0000
154	L	C	0.0000
155	K	C	-1.3840
156	G	C	0.0000
157	D	C	-2.1967
158	V	C	0.0000
159	E	C	-3.2633
160	M	C	0.0000
161	A	C	-1.9728
162	L	C	0.0000
163	L	C	-0.8391
164	L	C	-1.3324
165	E	C	-2.4157
166	G	C	-1.6430
167	G	C	-1.3125
168	G	C	-1.4320
169	H	C	-1.4873
170	Y	C	0.0000
171	R	C	-3.4104
172	C	C	0.0000
173	D	C	-3.5357
174	F	C	0.0000
175	K	C	-2.1644
176	T	C	0.0000
177	T	C	0.0000
178	Y	C	0.0000
179	K	C	-2.0080
180	A	C	-2.4068
181	K	C	-3.3404
182	K	C	-3.7079
183	D	C	-3.4560
184	V	C	-2.4259
185	R	C	-2.2306
186	L	C	-1.1162
187	P	C	0.0000
188	D	C	-1.8290
189	A	C	-1.0698
190	H	C	0.0000
191	E	C	-1.3602
192	V	C	0.0000
193	D	C	-1.4583
194	H	C	-0.9205
195	R	C	-0.7572
196	I	C	-0.2757
197	E	C	-0.2123
198	I	C	-0.0312
199	L	C	0.0000
200	S	C	-1.1217
201	H	C	-2.1822
202	D	C	-2.6221
203	K	C	-3.1716
204	D	C	-3.1800
205	Y	C	-2.2823
206	N	C	-2.6412
207	K	C	-3.1162
208	V	C	0.0000
209	R	C	-1.5446
210	L	C	0.0000
211	Y	C	0.0000
212	E	C	-0.2914
213	H	C	-0.8433
214	A	C	0.0000
215	E	C	-1.6181
216	A	C	0.0000
217	R	C	-1.2371
218	Y	C	-0.6060
219	S	C	-0.6089
220	G	C	-0.7095
221	G	C	-0.6784
2	V	D	0.9667
3	Q	D	-0.3383
4	L	D	0.0000
5	V	D	0.3181
6	E	D	0.0000
7	S	D	-0.6589
8	G	D	-1.0582
9	G	D	-0.8067
10	G	D	-0.0128
11	L	D	1.2253
12	V	D	0.1889
13	Q	D	-1.3511
14	A	D	-1.8759
15	G	D	-1.4834
16	G	D	-1.0065
17	S	D	-1.2037
18	L	D	-1.0938
19	R	D	-2.2846
20	L	D	0.0000
21	S	D	-0.4020
22	C	D	0.0000
23	A	D	-0.1975
24	A	D	0.0775
25	S	D	0.0067
26	G	D	0.2918
27	F	D	0.4925
28	P	D	0.2245
29	V	D	0.6458
30	G	D	-0.5651
31	R	D	-1.5435
32	A	D	-0.6656
33	S	D	0.0000
34	M	D	0.0000
35	W	D	0.0000
36	W	D	0.0000
37	Y	D	0.0000
38	R	D	-1.4795
39	Q	D	-2.3859
40	A	D	-2.1579
41	P	D	-1.5174
42	G	D	-2.0576
43	K	D	-3.4963
44	E	D	-3.8543
45	R	D	-3.4067
46	E	D	-2.3808
47	W	D	0.0000
48	V	D	0.0000
49	A	D	0.0000
50	A	D	0.0000
51	I	D	0.0000
52	S	D	0.0000
53	S	D	0.0000
54	Y	D	-0.2093
55	G	D	-0.3497
56	W	D	0.0061
57	V	D	0.0000
58	T	D	-0.1267
59	A	D	0.0000
60	Y	D	-0.9985
61	A	D	0.0000
62	D	D	-2.6371
63	S	D	-1.8078
64	V	D	0.0000
65	K	D	-2.6384
66	G	D	-1.8870
67	R	D	-1.6469
68	F	D	0.0000
69	T	D	-1.0212
70	I	D	0.0000
71	S	D	-0.4072
72	R	D	-0.8584
73	D	D	-1.2423
74	N	D	-1.3922
75	A	D	-0.9601
76	K	D	-1.7901
77	N	D	0.0000
78	T	D	0.0000
79	V	D	0.0000
80	Y	D	-0.5102
81	L	D	0.0000
82	Q	D	-1.6099
83	M	D	0.0000
84	N	D	-2.1063
85	S	D	-1.3062
86	L	D	0.0000
87	K	D	-2.3596
88	P	D	-1.6944
89	E	D	-2.2851
90	D	D	0.0000
91	T	D	-1.0020
92	A	D	0.0000
93	V	D	-0.7304
94	Y	D	0.0000
95	Y	D	-0.7440
96	C	D	0.0000
97	E	D	-0.6959
98	V	D	0.0000
99	S	D	0.0000
100	V	D	0.0000
101	G	D	-0.8554
102	T	D	-0.6663
103	G	D	-0.7101
104	Y	D	-0.3639
105	R	D	-1.7932
106	G	D	0.0000
107	Q	D	-1.4589
108	G	D	0.0000
109	T	D	-0.7740
110	Q	D	-1.2112
111	V	D	0.0000
112	T	D	-0.1713
113	V	D	0.0000
114	S	D	-0.7477
115	A	D	-1.0726
116	G	D	-1.9513
117	R	D	-2.9626
118	A	D	-1.9063
119	G	D	-2.0020
120	E	D	-2.6937