Project name: query_structure

Chain sequence(s)	A: TTEVVMENVTAFWEEGGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMMIMGELEPSEGKIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKDNIVLGEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNL; C: QVQLQESGGGLVQAGGSLRLSCTASGRAFSWYVMGWFRQAPGKEREFVATVSGNGSRRDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAASSTYYYTDPEKYDYWGQGTQVTVSS; B: QVQLQESGGGLVQAGSSLRLACAATGSIRSINNMGWYRQAPGKQRGMVAIITRVGNTDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTATYYCHAEITEQSRPFYLTDDYWGQGTQVTVSSAAA; G: QVQLQESGGGLVQAGSSLRLACAATGSIRSINNMGWYRQAPGKQRGMVAIITRVGNTDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTATYYCHAEITEQSRPFYLTDDYWGQGTQVTVS; F: TEVVMENVTAFWETPVLKDINFKIERGQLLAVAGSTGAGKTSLLMMIMGELEPSEGKIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKDNIVLGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNL; I: EVVMENVTAFWEEGGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMMIMGELEPSEGKIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKDNIVLGGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNL; H: QVQLQESGGGLVQAGGSLRLSCTASGRAFSWYVMGWFRQAPGKEREFVATVSGNGSRRDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAASSTYYYTDPEKYDYWGQGTQVTVSS; K: QVQLQESGGGLVQAGGSLRLSCTASGRAFSWYVMGWFRQAPGKEREFVATVSGNGSRRDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAASSTYYYTDPEKYDYWGQGTQVTV; J: QVQLQESGGGLVQAGSSLRLACAATGSIRSINNMGWYRQAPGKQRGMVAIITRVGNTDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTATYYCHAEITEQSRPFYLTDDYWGQGTQVTVSS; M: QVQLQESGGGLVQAGSSLRLACAATGSIRSINNMGWYRQAPGKQRGMVAIITRVGNTDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTATYYCHAEITEQSRPFYLTDDYWGQGTQVTVSSA; L: TEVVMENVTAFWEEGGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMMIMGELEPSEGKIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKDNIVLGEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNL; O: TEVVMENVTAFWEEGGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMMIMGELEPSEGKIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKDNIVLGEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNL; N: QVQLQESGGGLVQAGGSLRLSCTASGRAFSWYVMGWFRQAPGKEREFVATVSGNGSRRDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAASSTYYYTDPEKYDYWGQGTQVTVSSA; Q: QVQLQESGGGLVQAGGSLRLSCTASGRAFSWYVMGWFRQAPGKEREFVATVSGNGSRRDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAASSTYYYTDPEKYDYWGQGTQVTVSS; P: QVQLQESGGGLVQAGSSLRLACAATGSIRSINNMGWYRQAPGKQRGMVAIITRVGNTDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTATYYCHAEITEQSRPFYLTDDYWGQGTQVTVSS; S: QVQLQESGGGLVQAGSSLRLACAATGSIRSINNMGWYRQAPGKQRGMVAIITRVGNTDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTATYYCHAEITEQSRPFYLTDDYWGQGTQVTVSS; R: TEVVMENVTAFWEEGGTPVLKDINFKIERGQLLAVAGSTGAGKTSLLMMIMGELEPSEGKIKHSGRISFCSQFSWIMPGTIKENIIFGVSYDEYRYRSVIKACQLEEDISKFAEKDNIVLGEGGITLSGGQRARISLARAVYKDADLYLLDSPFGYLDVLTEKEIFESCVCKLMANKTRILVTSKMEHLKKADKILILHEGSSYFYGTFSELQNL; T: QVQLQESGGGLVQAGGSLRLSCTASGRAFSWYVMGWFRQAPGKEREFVATVSGNGSRRDYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAASSTYYYTDPEKYDYWGQGTQVTVSS
Selected Chain(s)	A,C,B,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,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                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:57:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:58:38)

• Minimal score value: -3.828
• Maximal score value: 1.5784
• Average score: -0.7176
• Total score value: -1980.4872

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
389	T	A	-1.8839
390	T	A	0.0000
391	E	A	-2.6678
392	V	A	0.0000
393	V	A	0.0000
394	M	A	0.0000
395	E	A	-3.1972
396	N	A	-3.5809
397	V	A	0.0000
398	T	A	0.0000
399	A	A	0.0000
400	F	A	-0.9477
401	W	A	-0.8345
402	E	A	-2.4678
403	E	A	-2.7792
404	G	A	-1.8142
437	G	A	-1.4768
438	T	A	-0.8116
439	P	A	-1.0577
440	V	A	-0.5191
441	L	A	0.0000
442	K	A	-2.8876
443	D	A	-3.3522
444	I	A	0.0000
445	N	A	-2.2947
446	F	A	0.0000
447	K	A	-2.8500
448	I	A	0.0000
449	E	A	-3.5799
450	R	A	-3.5578
451	G	A	-2.4578
452	Q	A	-2.0676
453	L	A	0.0000
454	L	A	0.0000
455	A	A	0.0000
456	V	A	0.0000
457	A	A	0.0000
458	G	A	0.0000
459	S	A	-0.4522
460	T	A	-0.5842
461	G	A	-1.0839
462	A	A	0.0000
463	G	A	-0.8963
464	K	A	-0.5724
465	T	A	-0.3134
466	S	A	-0.0375
467	L	A	0.0000
468	L	A	0.0000
469	M	A	0.0000
470	M	A	0.0000
471	I	A	0.0000
472	M	A	-0.5206
473	G	A	-1.2602
474	E	A	-1.3004
475	L	A	0.0000
476	E	A	-2.3614
477	P	A	-2.1053
478	S	A	-1.7327
479	E	A	-3.4651
480	G	A	-3.3959
481	K	A	-3.2336
482	I	A	-2.0257
483	K	A	-2.0856
484	H	A	-1.3174
485	S	A	-1.1441
486	G	A	-1.3735
487	R	A	-2.2141
488	I	A	-0.8234
489	S	A	0.0000
490	F	A	0.0579
491	C	A	0.0000
492	S	A	-0.1273
493	Q	A	-0.3034
494	F	A	-0.0193
495	S	A	-0.1024
496	W	A	0.0000
497	I	A	0.1399
498	M	A	0.0000
499	P	A	-0.5549
500	G	A	0.0675
501	T	A	0.0000
502	I	A	0.0000
503	K	A	-0.4593
504	E	A	-0.5294
505	N	A	0.0000
506	I	A	0.0000
507	I	A	0.0000
508	F	A	0.0597
509	G	A	0.1010
510	V	A	-0.0586
511	S	A	-0.0179
512	Y	A	0.0000
513	D	A	-0.2168
514	E	A	0.0000
515	Y	A	0.1348
516	R	A	-0.3245
517	Y	A	0.0000
518	R	A	0.0000
519	S	A	-0.1378
520	V	A	0.0000
521	I	A	0.0000
522	K	A	-0.9707
523	A	A	0.0000
524	C	A	0.0000
525	Q	A	-1.2816
526	L	A	0.0000
527	E	A	0.0000
528	E	A	-2.5761
529	D	A	-1.8353
530	I	A	0.0000
531	S	A	-1.6832
532	K	A	-2.3951
533	F	A	0.0000
534	A	A	-0.8865
535	E	A	-0.7691
536	K	A	0.0000
537	D	A	0.0000
538	N	A	-0.4245
539	I	A	0.5751
540	V	A	0.8865
541	L	A	0.0000
542	G	A	-0.8280
543	E	A	-1.9564
544	G	A	-1.1455
545	G	A	-0.1120
546	I	A	-0.0928
547	T	A	-0.4858
548	L	A	0.0000
549	S	A	-0.5876
550	G	A	-0.2478
551	G	A	0.0000
552	Q	A	-0.5494
553	R	A	-0.5212
554	A	A	0.0000
555	R	A	-0.4373
556	I	A	0.0000
557	S	A	0.0000
558	L	A	0.0000
559	A	A	0.0000
560	R	A	0.0000
561	A	A	0.0000
562	V	A	0.0000
563	Y	A	0.0000
564	K	A	-1.2302
565	D	A	-2.3058
566	A	A	-1.7615
567	D	A	-1.8962
568	L	A	0.0000
569	Y	A	0.0000
570	L	A	0.0000
571	L	A	0.0000
572	D	A	0.0000
573	S	A	-0.2006
574	P	A	0.0000
575	F	A	0.0000
576	G	A	-0.1848
577	Y	A	-0.0037
578	L	A	0.0000
579	D	A	-0.1668
580	V	A	0.0000
581	L	A	-0.5599
582	T	A	-1.0787
583	E	A	0.0000
584	K	A	-2.2950
585	E	A	-2.8600
586	I	A	0.0000
587	F	A	0.0000
588	E	A	-3.1665
589	S	A	-2.1959
590	C	A	0.0000
591	V	A	0.0000
592	C	A	-1.6157
593	K	A	-2.0944
594	L	A	-0.9658
595	M	A	0.0000
596	A	A	-1.1943
597	N	A	-2.2545
598	K	A	-1.7287
599	T	A	0.0000
600	R	A	0.0000
601	I	A	0.0000
602	L	A	0.0000
603	V	A	0.0000
604	T	A	-0.1005
605	S	A	-0.0177
606	K	A	0.0000
607	M	A	-0.7733
608	E	A	-1.2167
609	H	A	0.0000
610	L	A	0.0000
611	K	A	-2.5383
612	K	A	-2.3355
613	A	A	0.0000
614	D	A	-1.8718
615	K	A	-1.5913
616	I	A	0.0000
617	L	A	0.0000
618	I	A	0.0000
619	L	A	0.0000
620	H	A	-0.9579
621	E	A	-2.1114
622	G	A	0.0000
623	S	A	-1.1752
624	S	A	-0.2730
625	Y	A	1.2085
626	F	A	0.8470
627	Y	A	0.5030
628	G	A	-0.4334
629	T	A	-1.3164
630	F	A	-1.7767
631	S	A	-1.7985
632	E	A	-2.2263
633	L	A	0.0000
634	Q	A	-2.0929
635	N	A	-1.7330
636	L	A	0.0849
1	Q	B	-1.7082
2	V	B	-1.2350
3	Q	B	-1.7398
4	L	B	-1.1297
5	Q	B	-1.6415
6	E	B	0.0000
7	S	B	-1.0354
8	G	B	-1.1076
9	G	B	-0.8721
10	G	B	-0.0460
11	L	B	0.7231
12	V	B	0.0853
13	Q	B	-0.7431
14	A	B	-1.2630
15	G	B	-1.5102
16	S	B	-0.8938
17	S	B	-0.7599
18	L	B	-0.7796
19	R	B	-1.9187
20	L	B	0.0000
21	A	B	-0.7658
22	C	B	0.0000
23	A	B	-1.0795
24	A	B	0.0000
25	T	B	-1.1906
26	G	B	-1.3037
27	S	B	-1.3730
28	I	B	-1.2378
29	R	B	-1.5511
30	S	B	-1.0040
31	I	B	0.0000
32	N	B	-0.7635
33	N	B	-0.5894
34	M	B	0.0000
35	G	B	0.0000
36	W	B	0.0000
37	Y	B	0.0000
38	R	B	-1.0870
39	Q	B	-1.7889
40	A	B	-1.7818
41	P	B	-1.3700
42	G	B	-1.8884
43	K	B	-2.9218
44	Q	B	-2.6856
45	R	B	-1.9466
46	G	B	-1.0431
47	M	B	-0.1070
48	V	B	0.0000
49	A	B	0.0000
50	I	B	0.0000
51	I	B	0.0000
52	T	B	-0.3768
53	R	B	-0.9587
54	V	B	0.0472
55	G	B	-0.3881
56	N	B	-0.1424
57	T	B	-0.0875
58	D	B	0.0000
59	Y	B	0.0000
60	A	B	-1.0606
61	D	B	-2.1572
62	S	B	-1.5010
63	V	B	0.0000
64	K	B	-1.3571
65	G	B	0.0000
66	R	B	0.0000
67	F	B	0.0000
68	T	B	-0.6409
69	I	B	0.0000
70	S	B	-0.5923
71	R	B	-1.1970
72	D	B	-2.0086
73	N	B	-2.2745
74	A	B	-1.7346
75	K	B	-2.4438
76	N	B	-1.7470
77	T	B	0.0000
78	V	B	0.0000
79	Y	B	-0.5384
80	L	B	0.0000
81	Q	B	-1.0691
82	M	B	0.0000
83	N	B	0.0000
84	S	B	-1.1829
85	L	B	0.0000
86	K	B	-2.0728
87	P	B	-2.0829
88	E	B	-2.3730
89	D	B	0.0000
90	T	B	-1.0425
91	A	B	0.0000
92	T	B	-0.9044
93	Y	B	0.0000
94	Y	B	-0.5105
95	C	B	0.0000
96	H	B	0.0000
97	A	B	0.0000
98	E	B	0.0000
99	I	B	0.0000
100	T	B	0.0000
101	E	B	-1.5065
102	Q	B	-2.0408
103	S	B	-1.3570
104	R	B	-0.8115
105	P	B	-0.1183
106	F	B	0.2277
107	Y	B	-0.0389
108	L	B	0.0000
109	T	B	0.0000
110	D	B	-0.6354
111	D	B	-0.3560
112	Y	B	0.0371
113	W	B	-0.0920
114	G	B	-0.8434
115	Q	B	-1.4485
116	G	B	0.0000
117	T	B	-1.1038
118	Q	B	-1.0872
119	V	B	0.0000
120	T	B	-0.4244
121	V	B	0.0000
122	S	B	-0.6224
123	S	B	-0.2831
124	A	B	0.0397
125	A	B	0.1205
126	A	B	0.0765
1	Q	C	-1.3194
2	V	C	0.0000
3	Q	C	-0.8840
4	L	C	0.0000
5	Q	C	-1.3078
6	E	C	0.0000
7	S	C	-0.9133
8	G	C	-0.8249
9	G	C	-0.5258
10	G	C	0.3263
11	L	C	1.0639
12	V	C	0.0168
13	Q	C	-1.2483
14	A	C	-1.4090
15	G	C	-1.3296
16	G	C	-0.8444
17	S	C	-0.8568
18	L	C	-0.1831
19	R	C	-0.7097
20	L	C	0.0000
21	S	C	-0.4267
22	C	C	0.0000
23	T	C	-0.5739
24	A	C	0.0000
25	S	C	-0.8110
26	G	C	-1.0616
27	R	C	-1.2964
28	A	C	-0.9727
29	F	C	0.0000
30	S	C	-0.6768
31	W	C	0.0000
32	Y	C	0.0000
33	V	C	0.0000
34	M	C	0.0000
35	G	C	0.0000
36	W	C	0.0000
37	F	C	0.0000
38	R	C	-1.4947
39	Q	C	-2.1715
40	A	C	-2.0937
41	P	C	-1.3543
42	G	C	-1.8959
43	K	C	-3.3534
44	E	C	-3.5298
45	R	C	-2.9613
46	E	C	-2.9911
47	F	C	-1.3812
48	V	C	0.0000
49	A	C	0.0000
50	T	C	0.0000
51	V	C	0.0000
52	S	C	0.0000
53	G	C	0.0000
54	N	C	-0.5181
55	G	C	0.0000
56	S	C	-0.7407
57	R	C	-1.2575
58	R	C	-1.5184
59	D	C	-1.2129
60	Y	C	-1.2862
61	A	C	-1.6124
62	D	C	-2.5096
63	S	C	-1.7964
64	V	C	0.0000
65	K	C	-2.6849
66	G	C	-1.7619
67	R	C	-1.2743
68	F	C	0.0000
69	T	C	-0.7540
70	I	C	0.0000
71	S	C	0.0000
72	R	C	0.0000
73	D	C	-0.5787
74	N	C	-0.4677
75	A	C	0.0730
76	K	C	-0.3876
77	N	C	-0.7850
78	T	C	-0.4754
79	V	C	0.0000
80	Y	C	-0.0588
81	L	C	0.0000
82	Q	C	-0.5360
83	M	C	0.0000
84	N	C	-1.0320
85	S	C	-1.1376
86	L	C	0.0000
87	K	C	-2.2244
88	P	C	-1.8482
89	E	C	-2.3116
90	D	C	0.0000
91	T	C	-0.9028
92	A	C	0.0000
93	V	C	-0.4472
94	Y	C	0.0000
95	Y	C	-0.5986
96	C	C	0.0000
97	A	C	0.0000
98	A	C	0.0000
99	S	C	0.0000
100	S	C	-0.7053
101	T	C	-0.3674
102	Y	C	0.0000
103	Y	C	0.2734
104	Y	C	0.2424
105	T	C	-0.7784
106	D	C	-2.2637
107	P	C	-2.1734
108	E	C	-2.7514
109	K	C	-1.9584
110	Y	C	0.0000
111	D	C	-0.9156
112	Y	C	-0.2637
113	W	C	0.0000
114	G	C	0.0000
115	Q	C	-1.4040
116	G	C	0.0000
117	T	C	-0.9447
118	Q	C	-0.9673
119	V	C	0.0000
120	T	C	-0.2872
121	V	C	0.0000
122	S	C	-0.8934
123	S	C	-1.0632
390	T	F	-1.3480
391	E	F	0.0000
392	V	F	0.0000
393	V	F	0.0000
394	M	F	0.0000
395	E	F	-3.7920
396	N	F	-3.8280
397	V	F	0.0000
398	T	F	0.0000
399	A	F	0.0000
400	F	F	0.3700
401	W	F	0.0342
402	E	F	-1.1763
438	T	F	-0.3207
439	P	F	-0.3788
440	V	F	-0.2161
441	L	F	0.0000
442	K	F	-2.4133
443	D	F	-3.3281
444	I	F	0.0000
445	N	F	-2.5648
446	F	F	0.0000
447	K	F	-2.4592
448	I	F	0.0000
449	E	F	-1.9219
450	R	F	-2.0856
451	G	F	-1.7782
452	Q	F	-1.4670
453	L	F	0.0000
454	L	F	0.0000
455	A	F	0.0000
456	V	F	0.0000
457	A	F	0.0000
458	G	F	0.0000
459	S	F	-0.5443
460	T	F	-0.6315
461	G	F	-1.1479
462	A	F	0.0000
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