Project name: query_structure

Chain sequence(s)	A: SKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTTTVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITLGMDE; C: SKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTTTVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITL; B: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTTTVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGI; E: QVQLVESGGALVQPGGSLRLSCAASGFPVNRYSMRWYRQAPGKEREWVAGMSSAGDRSSYEDSVKGRFTISRDDARNTVYLQMNSLKPEDTAVYYCNVNVGFEYWGQGTQVTVSS; D: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLTTTVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGIT; G: MQVQLVESGGALVQPGGSLRLSCAASGFPVNRYSMRWYRQAPGKEREWVAGMSSAGDRSSYEDSVKGRFTISRDDARNTVYLQMNSLKPEDTAVYYCNVNVGFEYWGQGTQVTVSS; F: QVQLVESGGALVQPGGSLRLSCAASGFPVNRYSMRWYRQAPGKEREWVAGMSSAGDRSSYEDSVKGRFTISRDDARNTVYLQMNSLKPEDTAVYYCNVNVGFEYWGQGTQVTVSS; H: QVQLVESGGALVQPGGSLRLSCAASGFPVNRYSMRWYRQAPGKEREWVAGMSSAGDRSSYEDSVKGRFTISRDDARNTVYLQMNSLKPEDTAVYYCNVNVGFEYWGQGTQVTVSSK
Selected Chain(s)	A,C,B,E,D,G,F,H
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                                          (00:28:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:29:24)

• Minimal score value: -4.0702
• Maximal score value: 1.5296
• Average score: -0.8224
• Total score value: -1125.8158

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	S	A	-1.9295
3	K	A	-2.4661
4	G	A	0.0000
5	E	A	-2.2538
6	E	A	-2.5170
7	L	A	-1.0301
8	F	A	0.0000
9	T	A	-0.4833
10	G	A	0.4432
11	V	A	1.3813
12	V	A	0.0000
13	P	A	-0.8258
14	I	A	0.0000
15	L	A	-1.1024
16	V	A	0.0000
17	E	A	-2.0500
18	L	A	0.0000
19	D	A	-2.6140
20	G	A	0.0000
21	D	A	-1.7108
22	V	A	0.0000
23	N	A	-1.5289
24	G	A	-1.0257
25	H	A	-1.1453
26	K	A	-1.3975
27	F	A	0.0000
28	S	A	0.0000
29	V	A	0.0000
30	S	A	-1.0500
31	G	A	0.0000
32	E	A	-2.1994
33	G	A	-1.5348
34	E	A	-1.2506
35	G	A	0.0000
36	D	A	0.2053
37	A	A	0.0000
38	T	A	0.2828
39	Y	A	0.9823
40	G	A	0.0000
41	K	A	-0.2640
42	L	A	0.0000
43	T	A	-0.6129
44	L	A	0.0000
45	K	A	-1.0664
46	F	A	0.0000
47	I	A	-0.9737
48	C	A	0.0000
49	T	A	-1.1650
50	T	A	0.0000
51	G	A	-2.1084
52	K	A	-2.5690
53	L	A	0.0000
54	P	A	-0.9597
55	V	A	0.0000
56	P	A	0.0000
57	W	A	0.0000
58	P	A	0.0000
59	T	A	0.0000
60	L	A	0.0000
61	V	A	0.0000
62	T	A	-0.0000
63	T	A	0.0000
64	L	A	0.0000
68	V	A	-0.0103
69	Q	A	-0.1927
70	C	A	0.0000
71	F	A	0.0000
72	S	A	0.0000
73	R	A	-1.1862
74	Y	A	0.0000
75	P	A	-1.7325
76	D	A	-2.8649
77	H	A	-2.3056
78	M	A	-2.1950
79	K	A	-2.6220
80	Q	A	-2.1111
81	H	A	-1.3889
82	D	A	0.0000
83	F	A	0.0000
84	F	A	0.0000
85	K	A	0.0000
86	S	A	-1.1870
87	A	A	0.0000
88	M	A	0.0000
89	P	A	-1.6148
90	E	A	-2.2852
91	G	A	0.0000
92	Y	A	0.0000
93	V	A	-0.7956
94	Q	A	0.0000
95	E	A	-2.4434
96	R	A	0.0000
97	T	A	-0.4980
98	I	A	0.0000
99	F	A	0.1588
100	F	A	0.0000
101	K	A	-1.5541
102	D	A	-2.7294
103	D	A	-2.2949
104	G	A	0.0000
105	N	A	-0.8573
106	Y	A	0.0000
107	K	A	-1.9269
108	T	A	0.0000
109	R	A	-3.5565
110	A	A	0.0000
111	E	A	-2.1623
112	V	A	0.0000
113	K	A	-1.5848
114	F	A	0.0000
115	E	A	-1.7262
116	G	A	-1.9697
117	D	A	-2.3962
118	T	A	-1.4646
119	L	A	0.0000
120	V	A	0.0000
121	N	A	0.0000
122	R	A	-2.5399
123	I	A	0.0000
124	E	A	-3.7044
125	L	A	0.0000
126	K	A	-2.3997
127	G	A	0.0000
128	I	A	-0.8967
129	D	A	-2.2312
130	F	A	0.0000
131	K	A	-3.5651
132	E	A	-3.2408
133	D	A	-3.2176
134	G	A	-2.5879
135	N	A	-2.1613
136	I	A	0.0000
137	L	A	0.0000
138	G	A	-2.0633
139	H	A	-1.8478
140	K	A	-2.3293
141	L	A	-1.5342
142	E	A	-1.7680
143	Y	A	-0.7068
144	N	A	-0.4886
145	Y	A	-0.6699
146	N	A	-0.9336
147	S	A	-1.1659
148	H	A	0.0000
149	N	A	-1.6375
150	V	A	0.0000
151	Y	A	-0.3460
152	I	A	0.0000
153	M	A	-0.7851
154	A	A	-1.5394
155	D	A	0.0000
156	K	A	-3.0966
157	Q	A	-3.1520
158	K	A	-3.3137
159	N	A	-2.8026
160	G	A	0.0000
161	I	A	0.0000
162	K	A	-1.2193
163	V	A	0.0000
164	N	A	-0.4670
165	F	A	0.0000
166	K	A	-1.8784
167	I	A	0.0000
168	R	A	-1.0702
169	H	A	0.0000
170	N	A	-1.0458
171	I	A	0.0000
172	E	A	-3.1938
173	D	A	-2.9474
174	G	A	-1.8019
175	S	A	-0.6504
176	V	A	0.4189
177	Q	A	0.0000
178	L	A	-0.5533
179	A	A	0.0000
180	D	A	-0.4929
181	H	A	0.0000
182	Y	A	0.5567
183	Q	A	0.0000
184	Q	A	-1.0617
185	N	A	0.0000
186	T	A	-0.7698
187	P	A	-0.8099
188	I	A	-0.2113
189	G	A	-1.3157
190	D	A	-2.0404
191	G	A	-1.3691
192	P	A	-0.9160
193	V	A	-0.4666
194	L	A	-0.1566
195	L	A	-0.5406
196	P	A	0.0000
197	D	A	-2.0055
198	N	A	-1.2998
199	H	A	0.0000
200	Y	A	-0.1421
201	L	A	0.0000
202	S	A	-0.7879
203	T	A	-0.9008
204	Q	A	-1.3249
205	S	A	-0.5459
206	A	A	0.0092
207	L	A	-0.0171
208	S	A	-0.6336
209	K	A	-1.7192
210	D	A	-2.1373
211	P	A	-1.8984
212	N	A	-2.3712
213	E	A	-2.5692
214	K	A	-2.8987
215	R	A	-2.8147
216	D	A	-1.9484
217	H	A	0.0000
218	M	A	0.0000
219	V	A	-0.2622
220	L	A	0.0000
221	L	A	0.3052
222	E	A	-0.1911
223	F	A	0.0407
224	V	A	0.0000
225	T	A	-0.4950
226	A	A	0.0000
227	A	A	-0.2405
228	G	A	0.0836
229	I	A	0.8503
230	T	A	0.8763
231	L	A	0.8917
232	G	A	-0.2039
233	M	A	-0.2920
234	D	A	-2.0195
235	E	A	-2.0554
3	K	B	-2.3700
4	G	B	0.0000
5	E	B	-2.2456
6	E	B	-2.4511
7	L	B	-0.9603
8	F	B	0.0000
9	T	B	-0.2794
10	G	B	0.5569
11	V	B	1.5252
12	V	B	0.0000
13	P	B	-0.7714
14	I	B	0.0000
15	L	B	-1.0558
16	V	B	0.0000
17	E	B	-2.2599
18	L	B	0.0000
19	D	B	-2.9920
20	G	B	0.0000
21	D	B	-1.8958
22	V	B	0.0000
23	N	B	-1.6240
24	G	B	-1.1209
25	H	B	-1.1628
26	K	B	-1.5299
27	F	B	0.0000
28	S	B	0.0000
29	V	B	0.0000
30	S	B	-1.1521
31	G	B	0.0000
32	E	B	-2.2153
33	G	B	-1.5587
34	E	B	-1.1426
35	G	B	0.0000
36	D	B	0.0000
37	A	B	0.0000
38	T	B	0.3877
39	Y	B	1.1065
40	G	B	0.0000
41	K	B	0.0664
42	L	B	0.0000
43	T	B	-0.5934
44	L	B	0.0000
45	K	B	-1.1172
46	F	B	0.0000
47	I	B	-0.8094
48	C	B	0.0000
49	T	B	-1.1875
50	T	B	0.0000
51	G	B	-2.0708
52	K	B	-2.5535
53	L	B	0.0000
54	P	B	-0.9578
55	V	B	0.0000
56	P	B	0.0000
57	W	B	0.0000
58	P	B	0.0000
59	T	B	0.0000
60	L	B	0.0000
61	V	B	0.0000
62	T	B	-0.0000
63	T	B	0.0000
64	L	B	0.0000
68	V	B	-0.0036
69	Q	B	-0.1968
70	C	B	0.0000
71	F	B	0.0000
72	S	B	0.0000
73	R	B	-1.2179
74	Y	B	0.0000
75	P	B	-1.9142
76	D	B	-3.0982
77	H	B	-2.2086
78	M	B	0.0000
79	K	B	-3.2179
80	Q	B	-2.3527
81	H	B	-1.1729
82	D	B	0.0000
83	F	B	0.0000
84	F	B	0.0000
85	K	B	0.0000
86	S	B	-1.1938
87	A	B	0.0000
88	M	B	0.0000
89	P	B	-1.5677
90	E	B	-2.1627
91	G	B	0.0000
92	Y	B	0.0000
93	V	B	-0.8003
94	Q	B	0.0000
95	E	B	-2.4485
96	R	B	0.0000
97	T	B	-1.2762
98	I	B	0.0000
99	F	B	-0.9016
100	F	B	0.0000
101	K	B	-2.0406
102	D	B	-2.9499
103	D	B	-2.3328
104	G	B	0.0000
105	N	B	-1.2180
106	Y	B	0.0000
107	K	B	-2.1852
108	T	B	0.0000
109	R	B	-3.5945
110	A	B	0.0000
111	E	B	-2.2081
112	V	B	0.0000
113	K	B	-1.4806
114	F	B	-1.4730
115	E	B	-1.6683
116	G	B	-1.7213
117	D	B	-2.1327
118	T	B	-1.3806
119	L	B	0.0000
120	V	B	0.0000
121	N	B	0.0000
122	R	B	-2.7407
123	I	B	0.0000
124	E	B	-4.0702
125	L	B	0.0000
126	K	B	-2.7024
127	G	B	0.0000
128	I	B	-1.5297
129	D	B	-2.8161
130	F	B	0.0000
131	K	B	-3.3716
132	E	B	-2.9130
133	D	B	-3.0193
134	G	B	-2.3931
135	N	B	-1.8604
136	I	B	0.0000
137	L	B	-1.5343
138	G	B	-1.8572
139	H	B	-1.5011
140	K	B	-1.6480
141	L	B	-0.8225
142	E	B	-0.6742
143	Y	B	-0.2133
144	N	B	0.0064
145	Y	B	0.0000
146	N	B	0.0000
147	S	B	-0.4466
148	H	B	0.0000
149	N	B	-1.3144
150	V	B	0.0000
151	Y	B	0.0014
152	I	B	0.0000
153	M	B	0.0000
154	A	B	-1.4960
155	D	B	-2.3875
156	K	B	-3.2724
157	Q	B	-3.2993
158	K	B	-3.4768
159	N	B	-2.9376
160	G	B	0.0000
161	I	B	0.0000
162	K	B	-1.1823
163	V	B	0.0000
164	N	B	-0.3684
165	F	B	0.0000
166	K	B	-1.1240
167	I	B	0.0000
168	R	B	-0.3168
169	H	B	0.0000
170	N	B	0.0000
171	I	B	0.0000
172	E	B	-1.7538
173	D	B	-1.9085
174	G	B	0.0000
175	S	B	-0.5342
176	V	B	-0.1511
177	Q	B	0.0000
178	L	B	-0.4331
179	A	B	0.0000
180	D	B	0.0000
181	H	B	0.0000
182	Y	B	-0.6916
183	Q	B	0.0000
184	Q	B	-1.2197
185	N	B	0.0000
186	T	B	-0.8020
187	P	B	-0.8334
188	I	B	-0.2229
189	G	B	-1.3021
190	D	B	-2.0328
191	G	B	-1.3655
192	P	B	-0.9156
193	V	B	-0.4905
194	L	B	-0.1572
195	L	B	-0.6158
196	P	B	0.0000
197	D	B	-1.0550
198	N	B	-0.7974
199	H	B	0.0000
200	Y	B	0.2354
201	L	B	0.0000
202	S	B	-0.5944
203	T	B	-0.4877
204	Q	B	-0.5981
205	S	B	0.0000
206	A	B	0.1157
207	L	B	0.0000
208	S	B	-0.7552
209	K	B	-1.7462
210	D	B	-2.1291
211	P	B	-1.8342
212	N	B	-2.4244
213	E	B	-2.5494
214	K	B	-2.8948
215	R	B	-2.7488
216	D	B	-1.9077
217	H	B	0.0000
218	M	B	0.0000
219	V	B	-0.4077
220	L	B	0.0000
221	L	B	0.3002
222	E	B	0.0530
223	F	B	0.4016
224	V	B	0.0000
225	T	B	-0.3748
226	A	B	0.0000
227	A	B	0.0487
228	G	B	0.6203
229	I	B	1.4927
2	S	C	-1.8106
3	K	C	-2.3630
4	G	C	0.0000
5	E	C	-2.0173
6	E	C	-2.2628
7	L	C	-0.7503
8	F	C	0.0000
9	T	C	-0.3142
10	G	C	0.5970
11	V	C	1.4120
12	V	C	0.0000
13	P	C	-0.9057
14	I	C	0.0000
15	L	C	-0.8417
16	V	C	0.0000
17	E	C	-2.1212
18	L	C	0.0000
19	D	C	-3.3116
20	G	C	0.0000
21	D	C	-2.5627
22	V	C	0.0000
23	N	C	-1.6050
24	G	C	-1.8370
25	H	C	-1.9638
26	K	C	-2.8140
27	F	C	0.0000
28	S	C	-1.8090
29	V	C	0.0000
30	S	C	-1.1316
31	G	C	0.0000
32	E	C	-2.2789
33	G	C	-1.7540
34	E	C	-1.5639
35	G	C	0.0000
36	D	C	0.0000
37	A	C	0.1674
38	T	C	0.3541
39	Y	C	1.1012
40	G	C	0.0000
41	K	C	0.0276
42	L	C	0.0000
43	T	C	-0.7541
44	L	C	0.0000
45	K	C	-1.0979
46	F	C	0.0000
47	I	C	-1.1804
48	C	C	0.0000
49	T	C	-0.7814
50	T	C	-1.2180
51	G	C	-1.7506
52	K	C	-2.3397
53	L	C	0.0000
54	P	C	-1.1375
55	V	C	0.0000
56	P	C	0.0000
57	W	C	0.0000
58	P	C	0.0000
59	T	C	0.0000
60	L	C	0.0000
61	V	C	0.0000
62	T	C	0.0041
63	T	C	0.0000
64	L	C	0.0000
68	V	C	0.1547
69	Q	C	-0.1602
70	C	C	0.0000
71	F	C	0.0000
72	S	C	0.0000
73	R	C	-1.2117
74	Y	C	0.0000
75	P	C	-1.6586
76	D	C	-2.5931
77	H	C	-1.3274
78	M	C	0.0000
79	K	C	-2.4334
80	Q	C	-2.1831
81	H	C	-1.3993
82	D	C	0.0000
83	F	C	0.0000
84	F	C	0.0000
85	K	C	0.0000
86	S	C	-1.1921
87	A	C	0.0000
88	M	C	0.0000
89	P	C	-1.2899
90	E	C	-1.9669
91	G	C	0.0000
92	Y	C	0.0000
93	V	C	-0.1296
94	Q	C	0.0000
95	E	C	-1.6578
96	R	C	0.0000
97	T	C	-0.4351
98	I	C	0.0000
99	F	C	0.3914
100	F	C	0.0000
101	K	C	-2.1363
102	D	C	-2.4405
103	D	C	-1.8312
104	G	C	0.0000
105	N	C	-0.5805
106	Y	C	0.0000
107	K	C	-1.8154
108	T	C	0.0000
109	R	C	-1.8493
110	A	C	0.0000
111	E	C	0.0000
112	V	C	0.0000
113	K	C	0.0000
114	F	C	-0.6195
115	E	C	0.0000
116	G	C	-1.6720
117	D	C	-2.1208
118	T	C	0.0000
119	L	C	0.0000
120	V	C	0.0000
121	N	C	0.0000
122	R	C	-1.3805
123	I	C	0.0000
124	E	C	-3.3933
125	L	C	0.0000
126	K	C	-2.7170
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