Project name: query_structure

Chain sequence(s)	A: DVQLVESGGGLVQAGGSLRLSCTVSGRTFSNYAMGWFRQAPGKEREFVAGISWTGGHTLYTDSVKGRFTISRDNAKNTVYLQMNSLKPEDTALYYCAADRAADFFAQRDEYDYWGQGTQVTVS; C: DVQLVESGGGLVQAGGSLRLSCTVSGRTFSNYAMGWFRQAPGKEREFVAGISWTGGHTLYTDSVKGRFTISRDNAKNTVYLQMNSLKPEDTALYYCAADRAADFFAQRDEYDYWGQGTQVTVSGLEVLF; B: MADVQLVESGGGLVQAGGSLRLSCTVSGRTFSNYAMGWFRQAPGKEREFVAGISWTGGHTLYTDSVKGRFTISRDNAKNTVYLQMNSLKPEDTALYYCAADRAADFFAQRDEYDYWGQGTQVTVSGLE; E: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFTTTVQCFARYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVHLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITH; D: SKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFAAAVQCFARYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVHLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGITH; F: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFAAAVQCFARYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVHLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGIT
Selected Chain(s)	A,C,B,E,D,F
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                                          (00:19:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:19:16)

• Minimal score value: -4.0893
• Maximal score value: 3.0756
• Average score: -0.7879
• Total score value: -833.5945

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	D	C	-2.3876
3	V	C	0.0000
4	Q	C	-0.8489
5	L	C	0.0000
6	V	C	-0.3390
7	E	C	0.0000
8	S	C	-1.0877
9	G	C	-1.2825
10	G	C	0.0000
11	G	C	0.0885
12	L	C	1.1038
13	V	C	0.0821
14	Q	C	-1.1244
15	A	C	-1.3609
16	G	C	-1.2749
17	G	C	-0.7729
18	S	C	-0.8842
19	L	C	-0.5565
20	R	C	-1.6277
21	L	C	0.0000
22	S	C	-0.5307
23	C	C	0.0000
24	T	C	-0.3259
25	V	C	0.0000
26	S	C	-0.8976
27	G	C	-1.5756
28	R	C	-1.8474
29	T	C	-0.8094
30	F	C	0.0000
31	S	C	0.0000
32	N	C	-0.8474
33	Y	C	0.0000
34	A	C	0.0000
35	M	C	0.0000
36	G	C	0.0000
37	W	C	0.0000
38	F	C	0.0000
39	R	C	0.0000
40	Q	C	-1.7744
41	A	C	-1.5533
42	P	C	-1.5689
43	G	C	-2.2497
44	K	C	-3.3373
45	E	C	-3.5251
46	R	C	-2.5019
47	E	C	-2.5508
48	F	C	-1.4529
49	V	C	0.0000
50	A	C	0.0000
51	G	C	0.0000
52	I	C	0.0000
53	S	C	0.0000
54	W	C	0.0000
55	T	C	-0.1897
56	G	C	-0.3966
57	G	C	-0.3908
58	H	C	0.0224
59	T	C	-0.0193
60	L	C	-0.2246
61	Y	C	-0.9189
62	T	C	-1.5248
63	D	C	-2.4299
64	S	C	-1.8438
65	V	C	0.0000
66	K	C	-2.5821
67	G	C	-1.7745
68	R	C	-1.3549
69	F	C	0.0000
70	T	C	-0.7212
71	I	C	0.0000
72	S	C	-0.4822
73	R	C	-0.8600
74	D	C	-1.2278
75	N	C	-1.0230
76	A	C	-1.1560
77	K	C	-1.9183
78	N	C	-1.2469
79	T	C	0.0000
80	V	C	0.0000
81	Y	C	-0.4400
82	L	C	0.0000
83	Q	C	-0.9620
84	M	C	0.0000
85	N	C	-1.3023
86	S	C	-1.1313
87	L	C	0.0000
88	K	C	-1.9913
89	P	C	-1.5834
90	E	C	-2.2312
91	D	C	0.0000
92	T	C	-0.8159
93	A	C	0.0000
94	L	C	-0.4111
95	Y	C	0.0000
96	Y	C	0.0000
97	C	C	0.0000
98	A	C	0.0000
99	A	C	0.0000
100	D	C	-1.9322
101	R	C	-1.7511
102	A	C	-0.5431
103	A	C	-0.3248
104	D	C	-0.2744
105	F	C	0.5909
106	F	C	1.6073
107	A	C	0.0775
108	Q	C	-1.4950
109	R	C	-3.1716
110	D	C	-3.9884
111	E	C	-3.5791
112	Y	C	0.0000
113	D	C	-2.5837
114	Y	C	-1.2345
115	W	C	-0.2778
116	G	C	0.0000
117	Q	C	-1.1212
118	G	C	-0.8023
119	T	C	0.0000
120	Q	C	-1.0670
121	V	C	0.0000
122	T	C	-0.2494
123	V	C	0.0000
124	S	C	-0.5432
125	G	C	-0.7268
126	L	C	0.8032
127	E	C	0.1868
128	V	C	2.4818
129	L	C	3.0756
130	F	C	2.9462
2	D	A	-2.5586
3	V	A	0.0000
4	Q	A	-1.2463
5	L	A	0.0000
6	V	A	1.1992
7	E	A	0.1409
8	S	A	-0.5563
9	G	A	-1.3202
10	G	A	-0.8370
11	G	A	0.1181
12	L	A	1.0835
13	V	A	0.0108
14	Q	A	-1.2240
15	A	A	-1.4329
16	G	A	-1.3766
17	G	A	-1.1428
18	S	A	-1.3303
19	L	A	-1.0244
20	R	A	-2.1513
21	L	A	0.0000
22	S	A	-0.4840
23	C	A	0.0000
24	T	A	-0.2054
25	V	A	0.0000
26	S	A	-1.2543
27	G	A	-2.0968
28	R	A	-2.6070
29	T	A	-1.3095
30	F	A	0.0000
31	S	A	-0.8718
32	N	A	-0.8123
33	Y	A	0.0000
34	A	A	0.0000
35	M	A	0.0000
36	G	A	0.0000
37	W	A	0.0000
38	F	A	0.0000
39	R	A	0.0000
40	Q	A	-2.1982
41	A	A	-1.9944
42	P	A	-1.4539
43	G	A	-1.9691
44	K	A	-3.3758
45	E	A	-3.6342
46	R	A	-2.9072
47	E	A	-2.7855
48	F	A	0.0000
49	V	A	0.0000
50	A	A	0.0000
51	G	A	0.0000
52	I	A	0.0000
53	S	A	0.0000
54	W	A	0.0000
55	T	A	-0.5026
56	G	A	-0.6831
57	G	A	-0.7572
58	H	A	-0.2834
59	T	A	-0.3017
60	L	A	-0.2388
61	Y	A	-0.5346
62	T	A	-0.8568
63	D	A	-1.7927
64	S	A	-1.6276
65	V	A	0.0000
66	K	A	-1.4232
67	G	A	-1.2891
68	R	A	-1.1147
69	F	A	0.0000
70	T	A	-0.6352
71	I	A	0.0000
72	S	A	-0.5184
73	R	A	-1.0434
74	D	A	-1.6218
75	N	A	-1.8561
76	A	A	-1.4998
77	K	A	-2.3223
78	N	A	-1.9330
79	T	A	0.0000
80	V	A	0.0000
81	Y	A	-0.6025
82	L	A	0.0000
83	Q	A	-1.2116
84	M	A	0.0000
85	N	A	-1.5580
86	S	A	-1.2576
87	L	A	0.0000
88	K	A	-2.3575
89	P	A	-1.9495
90	E	A	-2.3640
91	D	A	0.0000
92	T	A	-0.8985
93	A	A	0.0000
94	L	A	-0.4590
95	Y	A	0.0000
96	Y	A	-0.2618
97	C	A	0.0000
98	A	A	0.0000
99	A	A	0.0000
100	D	A	-1.0822
101	R	A	-0.9115
102	A	A	0.0000
103	A	A	-0.5561
104	D	A	-1.0315
105	F	A	0.0000
106	F	A	-0.2414
107	A	A	-0.6532
108	Q	A	-1.9233
109	R	A	-3.1796
110	D	A	-3.8669
111	E	A	-3.2700
112	Y	A	0.0000
113	D	A	-1.4098
114	Y	A	-0.6655
115	W	A	0.1052
116	G	A	-0.0763
117	Q	A	-0.9358
118	G	A	-0.5290
119	T	A	-0.6603
120	Q	A	-0.8839
121	V	A	0.0000
122	T	A	-0.2350
123	V	A	0.0000
124	S	A	-0.5876
1	M	B	0.5958
2	A	B	0.0646
3	D	B	-0.5906
4	V	B	0.0000
5	Q	B	-0.3692
6	L	B	0.0000
7	V	B	1.2317
8	E	B	0.2309
9	S	B	-0.3026
10	G	B	-0.9363
11	G	B	-0.5508
12	G	B	-0.1682
13	L	B	0.6749
14	V	B	0.1220
15	Q	B	-1.1759
16	A	B	-1.8001
17	G	B	-1.6587
18	G	B	-1.1996
19	S	B	-0.9158
20	L	B	-0.7760
21	R	B	-1.5628
22	L	B	0.0000
23	S	B	-0.2803
24	C	B	0.0000
25	T	B	-0.1170
26	V	B	0.0000
27	S	B	-0.5553
28	G	B	-0.8420
29	R	B	-1.0940
30	T	B	-0.9742
31	F	B	0.0000
32	S	B	-1.0539
33	N	B	-1.5493
34	Y	B	0.0000
35	A	B	0.0000
36	M	B	0.0000
37	G	B	0.0000
38	W	B	0.0000
39	F	B	0.0000
40	R	B	0.0000
41	Q	B	-1.6982
42	A	B	-1.8099
43	P	B	-1.6498
44	G	B	-2.3443
45	K	B	-3.5004
46	E	B	-3.5879
47	R	B	-2.6240
48	E	B	-2.0776
49	F	B	-0.9940
50	V	B	0.0000
51	A	B	0.0000
52	G	B	0.0000
53	I	B	0.0000
54	S	B	0.0000
55	W	B	-0.1556
56	T	B	-0.2630
57	G	B	-0.4033
58	G	B	-0.3239
59	H	B	-0.4964
60	T	B	-0.1576
61	L	B	0.0061
62	Y	B	-0.2190
63	T	B	-0.4894
64	D	B	-1.1674
65	S	B	-1.3921
66	V	B	0.0000
67	K	B	-1.6326
68	G	B	-1.4692
69	R	B	-1.1506
70	F	B	0.0000
71	T	B	-0.6026
72	I	B	0.0000
73	S	B	-0.5215
74	R	B	-0.9357
75	D	B	-1.5453
76	N	B	-1.7102
77	A	B	-1.3770
78	K	B	-2.2516
79	N	B	-1.6901
80	T	B	0.0000
81	V	B	0.0000
82	Y	B	-0.4637
83	L	B	0.0000
84	Q	B	-0.9356
85	M	B	0.0000
86	N	B	-1.3222
87	S	B	-1.3531
88	L	B	0.0000
89	K	B	-1.9888
90	P	B	-1.7595
91	E	B	-2.2437
92	D	B	0.0000
93	T	B	-0.7024
94	A	B	0.0000
95	L	B	-0.1357
96	Y	B	0.0000
97	Y	B	-0.1001
98	C	B	0.0000
99	A	B	0.0000
100	A	B	0.0000
101	D	B	-1.1987
102	R	B	-1.3511
103	A	B	-0.6511
104	A	B	-0.6186
105	D	B	-0.6922
106	F	B	1.1654
107	F	B	0.3188
108	A	B	-0.2434
109	Q	B	-0.9087
110	R	B	-1.5326
111	D	B	-2.6875
112	E	B	-2.7654
113	Y	B	0.0000
114	D	B	-1.2474
115	Y	B	0.0000
116	W	B	-0.2998
117	G	B	-0.2253
118	Q	B	-0.8888
119	G	B	-0.3897
120	T	B	-0.3753
121	Q	B	-0.5652
122	V	B	0.0000
123	T	B	0.0000
124	V	B	0.0000
125	S	B	0.0000
126	G	B	-1.0482
127	L	B	0.0000
128	E	B	-2.1390
2	S	D	-2.0375
3	K	D	-2.6043
4	G	D	0.0000
5	E	D	-2.1025
6	E	D	-2.5625
7	L	D	-1.0792
8	F	D	0.0000
9	T	D	-0.2822
10	G	D	0.4765
11	V	D	1.4436
12	V	D	0.0000
13	P	D	-0.7905
14	I	D	0.0000
15	L	D	-1.0636
16	V	D	0.0000
17	E	D	-1.7524
18	L	D	0.0000
19	D	D	-3.3301
20	G	D	0.0000
21	D	D	-2.6669
22	V	D	0.0000
23	N	D	-2.1769
24	G	D	-1.8125
25	H	D	-2.4615
26	K	D	-3.0295
27	F	D	0.0000
28	S	D	-1.6568
29	V	D	0.0000
30	S	D	-0.9998
31	G	D	0.0000
32	E	D	-2.1935
33	G	D	-1.4990
34	E	D	-1.0524
35	G	D	0.0000
36	D	D	0.3743
37	A	D	0.0000
38	T	D	0.3123
39	Y	D	1.1064
40	G	D	0.0000
41	K	D	0.0403
42	L	D	0.0000
43	T	D	-0.5721
44	L	D	0.0000
45	K	D	-1.3696
46	F	D	0.0000
47	I	D	-0.9008
48	C	D	0.0000
49	T	D	-0.7209
50	T	D	-1.1243
51	G	D	-1.6292
52	K	D	-2.2341
53	L	D	0.0000
54	P	D	0.0000
55	V	D	0.0000
56	P	D	0.0000
57	W	D	0.0000
58	P	D	0.0000
59	T	D	0.0000
60	L	D	0.0000
61	V	D	0.0000
62	T	D	-0.0025
63	T	D	0.0000
64	F	D	0.0000
68	V	D	-0.0213
69	Q	D	-0.1697
70	C	D	0.0000
71	F	D	0.0000
72	A	D	0.0000
73	R	D	-1.0686
74	Y	D	0.0000
75	P	D	-1.8612
76	D	D	-2.7513
77	H	D	-1.8912
78	M	D	0.0000
79	K	D	-2.7383
80	Q	D	-2.1262
81	H	D	0.0000
82	D	D	0.0000
83	F	D	0.0000
84	F	D	0.0000
85	K	D	0.0000
86	S	D	-1.1502
87	A	D	-0.5821
88	M	D	0.0000
89	P	D	-1.3681
90	E	D	-1.6157
91	G	D	0.0000
92	Y	D	0.0000
93	V	D	-0.7474
94	Q	D	0.0000
95	E	D	-2.2918
96	R	D	0.0000
97	T	D	-0.7154
98	I	D	0.0000
99	F	D	0.4359
100	F	D	0.0000
101	K	D	-1.9171
102	D	D	-2.8257
103	D	D	-2.3570
104	G	D	0.0000
105	N	D	-0.7655
106	Y	D	0.0000
107	K	D	-2.5780
108	T	D	0.0000
109	R	D	-3.1707
110	A	D	0.0000
111	E	D	-1.8304
112	V	D	0.0000
113	K	D	-1.3701
114	F	D	0.0000
115	E	D	-1.7715
116	G	D	-1.8217
117	D	D	-2.2026
118	T	D	-1.4635
119	L	D	0.0000
120	V	D	0.0000
121	N	D	0.0000
122	R	D	-2.3848
123	I	D	0.0000
124	E	D	-4.0363
125	L	D	0.0000
126	K	D	-3.2705
127	G	D	0.0000
128	I	D	-0.9653
129	D	D	-2.3093
130	F	D	0.0000
131	K	D	-3.9033
132	E	D	-3.9745
133	D	D	-3.5299
134	G	D	-2.7938
135	N	D	-2.1713
136	I	D	0.0000
137	L	D	-1.8683
138	G	D	-2.1813
139	H	D	-1.9386
140	K	D	-2.3650
141	L	D	-1.6738
142	E	D	-1.9141
143	Y	D	-0.7470
144	N	D	-0.5945
145	Y	D	-0.6773
146	N	D	-0.9108
147	S	D	-0.8218
148	H	D	0.0000
149	N	D	-1.0006
150	V	D	0.0000
151	Y	D	-0.0806
152	I	D	0.0000
153	M	D	0.0000
154	A	D	-1.0156
155	D	D	0.0000
156	K	D	-2.3646
157	Q	D	-2.4472
158	K	D	-2.3201
159	N	D	-1.8164
160	G	D	0.0000
161	I	D	0.0000
162	K	D	-0.8450
163	V	D	0.0000
164	N	D	-0.3692
165	F	D	0.0000
166	K	D	-1.4795
167	I	D	0.0000
168	R	D	-1.2430
169	H	D	0.0000
170	N	D	-1.3842
171	I	D	0.0000
172	E	D	-3.3419
173	D	D	-3.0718
174	G	D	-1.9694
175	S	D	-1.0871
176	V	D	-0.2772
177	H	D	0.0000
178	L	D	-0.7064
179	A	D	0.0000
180	D	D	-0.4360
181	H	D	0.0000
182	Y	D	0.2622
183	Q	D	0.0000
184	Q	D	-0.9791
185	N	D	0.0000
186	T	D	-0.6369
187	P	D	-0.5698
188	I	D	-0.2884
189	G	D	-1.0681
190	D	D	-2.1006
191	G	D	-1.2292
192	P	D	-0.9350
193	V	D	-0.3313
194	L	D	-0.0784
195	L	D	0.0000
196	P	D	0.0000
197	D	D	-0.5643
198	N	D	0.0000
199	H	D	0.0000
200	Y	D	0.1136
201	L	D	0.0000
202	S	D	-0.4220
203	T	D	-0.5480
204	Q	D	-1.0006
205	S	D	-0.3876
206	A	D	0.0370
207	L	D	-0.0282
208	S	D	-0.6328
209	K	D	-1.7507
210	D	D	-2.1795
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