Project name: query_structure

Chain sequence(s)	A: TPLALAASSGKIGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCLYMIIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRGIQYFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMVFSLAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTAVVTLIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYVILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMRKAFRSGKLLQVGFTPDGKDDYRWCFRVDEVNWTT; C: TPLALAASSGKIGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCLYMIIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRGIQYFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMVFSLAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTAVVTLIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYVILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMRKAFRSGKLLQVGFTPDGKDDYRWCFRVDEVNWTT; B: TPLALAASSGKIGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCLYMIIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRGIQYFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMVFSLAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTAVVTLIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYVILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMRKAFRSGKLLQVGFTPDGKDDYRWCFRVDEVNWTT; E: DCAKEGEVCSWGKKCCDLDNFYCPMEFIPHCKKYKPYVPVTTNCAKEGEVCGWGSKCCHGLDCPLAFIPYCEKYR; D: TPLALAASSGKIGVLAYILQREIHEPECRHLSRKFTEWAYGPVHSSLYDLSCIDTCEKNSVLEVIAYSSSETPNRHDMLLVEPLNRLLQDKWDRFVKRIFYFNFFVYCLYMIIFTAAAYYRPVEGLPPYKLKNTVGDYFRVTGEILSVSGGVYFFFRGIQYFLQRRPSLKSLFVDSYSEILFFVQSLFMLVSVVLYFSQRKEYVASMVFSLAMGWTNMLYYTRGFQQMGIYAVMIEKMILRDLCRFMFVYLVFLFGFSTAVVTLIEDGKYNSLYSTCLELFKFTIGMGDLEFTENYDFKAVFIILLLAYVILTYILLLNMLIALMGETVNKIAQESKNIWKLQRAITILDTEKSFLKCMRKAFRSGKLLQVGFTPDGKDDYRWCFRVDEVNWTT; F: DCAKEGEVCSWGKKCCDLDNFYCPMEFIPHCKKYKPYVPVTTNCAKEGEVCGWGSKCCHGLDCPLAFIPYCEKYR
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:29:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:29:58)

• Minimal score value: -3.993
• Maximal score value: 3.6053
• Average score: -0.2361
• Total score value: -407.4351

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
335	T	A	-0.1035
336	P	A	0.4716
337	L	A	0.0000
338	A	A	0.1717
339	L	A	1.2871
340	A	A	0.0000
341	A	A	0.0000
342	S	A	-0.0648
343	S	A	-0.4298
344	G	A	0.0000
345	K	A	-0.5554
346	I	A	0.3900
347	G	A	0.7786
348	V	A	1.9106
349	L	A	0.0000
350	A	A	0.9123
351	Y	A	1.5263
352	I	A	0.7457
353	L	A	0.0000
354	Q	A	-0.5042
355	R	A	-0.8672
356	E	A	-1.9764
357	I	A	-1.7228
358	H	A	-2.5803
359	E	A	-3.0776
360	P	A	-2.3058
361	E	A	-2.7748
362	C	A	-1.9714
363	R	A	-2.2773
364	H	A	-1.0444
365	L	A	-0.4053
366	S	A	-0.8896
367	R	A	-0.5801
368	K	A	-1.2123
369	F	A	-1.2688
370	T	A	-1.4202
371	E	A	-1.7670
372	W	A	-0.0374
373	A	A	0.2462
374	Y	A	1.5207
375	G	A	0.6096
376	P	A	0.5136
377	V	A	0.7280
378	H	A	-0.5599
379	S	A	0.0000
380	S	A	0.0000
381	L	A	0.0000
382	Y	A	0.0000
383	D	A	0.0000
384	L	A	0.0000
385	S	A	-0.1440
386	C	A	-0.7341
387	I	A	0.0000
388	D	A	0.0000
389	T	A	-0.8768
390	C	A	-1.2119
391	E	A	-2.7420
392	K	A	-3.1103
393	N	A	-2.3057
394	S	A	0.0000
395	V	A	0.0000
396	L	A	0.0000
397	E	A	-0.5765
398	V	A	0.0000
399	I	A	0.0000
400	A	A	0.0000
401	Y	A	0.1143
402	S	A	-0.5331
403	S	A	-0.6739
404	S	A	-1.2165
405	E	A	-2.2897
406	T	A	-1.5761
407	P	A	-1.5143
408	N	A	-1.4064
409	R	A	-1.0488
410	H	A	-0.2033
411	D	A	0.0000
412	M	A	0.0000
413	L	A	0.0529
414	L	A	0.6334
415	V	A	0.0000
416	E	A	-0.8079
417	P	A	0.0000
418	L	A	0.0000
419	N	A	-0.9567
420	R	A	-1.6413
421	L	A	0.0000
422	L	A	0.0000
423	Q	A	-2.5655
424	D	A	-2.4118
425	K	A	0.0000
426	W	A	0.0000
427	D	A	-3.6995
428	R	A	-3.5729
429	F	A	0.0000
430	V	A	0.0000
431	K	A	-2.2781
432	R	A	-1.9761
433	I	A	0.0158
434	F	A	0.0000
435	Y	A	2.0126
436	F	A	2.6781
437	N	A	1.3592
438	F	A	2.4449
439	F	A	3.5965
440	V	A	2.8054
441	Y	A	0.0000
442	C	A	2.3065
443	L	A	2.4272
444	Y	A	0.0000
445	M	A	0.0000
446	I	A	2.4217
447	I	A	1.6389
448	F	A	0.0000
449	T	A	0.0000
450	A	A	0.8929
451	A	A	1.0959
452	A	A	0.0000
453	Y	A	1.0539
454	Y	A	1.4361
455	R	A	0.5800
456	P	A	0.6219
457	V	A	0.6587
458	E	A	-1.1880
459	G	A	-0.9149
460	L	A	-0.5631
461	P	A	-0.6902
462	P	A	-0.1312
463	Y	A	-0.6765
464	K	A	-1.9204
465	L	A	-1.3891
466	K	A	-2.1984
467	N	A	-1.3921
468	T	A	0.2412
469	V	A	1.9129
470	G	A	1.3775
471	D	A	0.7332
472	Y	A	2.0688
473	F	A	2.5689
474	R	A	1.6544
475	V	A	1.5569
476	T	A	1.7241
477	G	A	1.4058
478	E	A	0.7619
479	I	A	2.1006
480	L	A	1.5681
481	S	A	0.0000
482	V	A	1.2717
483	S	A	1.2154
484	G	A	1.0377
485	G	A	0.0000
486	V	A	2.0700
487	Y	A	2.1143
488	F	A	0.0000
489	F	A	2.0973
490	F	A	2.3925
491	R	A	0.9606
492	G	A	0.0000
493	I	A	1.0929
494	Q	A	-0.4892
495	Y	A	-0.3506
496	F	A	-0.1944
497	L	A	-0.0561
498	Q	A	-1.6448
499	R	A	-2.2915
500	R	A	-2.2742
501	P	A	-0.9018
502	S	A	-0.1570
503	L	A	0.8711
504	K	A	-0.5012
505	S	A	-0.1956
506	L	A	0.5273
507	F	A	1.2939
508	V	A	0.6910
509	D	A	-0.1111
510	S	A	0.4638
511	Y	A	0.7040
512	S	A	0.3199
513	E	A	0.1542
514	I	A	0.0000
515	L	A	0.7321
516	F	A	0.0000
517	F	A	1.3737
518	V	A	1.1489
519	Q	A	0.0000
520	S	A	0.0000
521	L	A	1.7851
522	F	A	1.8234
523	M	A	0.0000
524	L	A	2.2169
525	V	A	2.5680
526	S	A	0.0000
527	V	A	2.4714
528	V	A	2.9053
529	L	A	1.2759
530	Y	A	0.0000
531	F	A	1.9750
532	S	A	0.4352
533	Q	A	-0.8545
534	R	A	-1.7294
535	K	A	-1.6107
536	E	A	-1.4620
537	Y	A	0.0000
538	V	A	0.0000
539	A	A	0.0000
540	S	A	0.0000
541	M	A	0.6679
542	V	A	0.0000
543	F	A	0.6478
544	S	A	0.0000
545	L	A	0.0000
546	A	A	0.0000
547	M	A	0.4249
548	G	A	0.0000
549	W	A	0.0000
550	T	A	0.2916
551	N	A	0.0000
552	M	A	0.0000
553	L	A	0.0000
554	Y	A	0.3120
555	Y	A	0.0000
556	T	A	0.0000
557	R	A	-0.2987
558	G	A	-0.3563
559	F	A	-0.6036
560	Q	A	-1.8339
561	Q	A	-1.8432
562	M	A	-0.5194
563	G	A	0.0000
564	I	A	-0.5214
565	Y	A	0.0000
566	A	A	0.0000
567	V	A	0.0000
568	M	A	0.0000
569	I	A	0.3116
570	E	A	0.0000
571	K	A	-0.3449
572	M	A	0.0000
573	I	A	0.0874
574	L	A	-0.0598
575	R	A	-1.5025
576	D	A	0.0000
577	L	A	0.2586
578	C	A	0.2396
579	R	A	-0.4284
580	F	A	0.0000
581	M	A	1.3550
582	F	A	2.2832
583	V	A	0.0000
584	Y	A	0.0000
585	L	A	1.8330
586	V	A	1.2626
587	F	A	0.0000
588	L	A	0.0000
589	F	A	0.9605
590	G	A	0.0000
591	F	A	0.0000
592	S	A	0.0000
593	T	A	0.0000
594	A	A	0.0000
595	V	A	0.0000
596	V	A	0.0000
597	T	A	0.0000
598	L	A	0.0000
599	I	A	0.0000
600	E	A	-2.7051
601	D	A	-2.5943
602	G	A	-2.2285
603	K	A	-2.5342
627	Y	A	0.0000
628	N	A	-2.5125
629	S	A	-1.0009
630	L	A	0.3656
631	Y	A	0.7474
632	S	A	0.0000
633	T	A	0.0000
634	C	A	0.5609
635	L	A	0.0000
636	E	A	-0.7531
637	L	A	0.0000
638	F	A	0.5015
639	K	A	0.0000
640	F	A	0.0000
641	T	A	0.0000
642	I	A	0.0000
643	G	A	-0.2017
644	M	A	-0.9515
645	G	A	-1.6509
646	D	A	-2.8265
647	L	A	0.0000
648	E	A	-2.6316
649	F	A	0.0000
650	T	A	-1.2446
651	E	A	-1.5547
652	N	A	-1.0380
653	Y	A	0.0000
654	D	A	-1.3353
655	F	A	0.0000
656	K	A	0.0000
657	A	A	0.0000
658	V	A	0.0000
659	F	A	0.0000
660	I	A	0.0000
661	I	A	0.9947
662	L	A	0.0000
663	L	A	0.0000
664	L	A	0.6902
665	A	A	0.5599
666	Y	A	0.0000
667	V	A	0.0000
668	I	A	0.6744
669	L	A	0.6565
670	T	A	0.0000
671	Y	A	0.4131
672	I	A	0.0000
673	L	A	0.0000
674	L	A	0.0000
675	L	A	0.3143
676	N	A	0.2674
677	M	A	0.0000
678	L	A	0.0000
679	I	A	0.5090
680	A	A	0.0236
681	L	A	0.0000
682	M	A	0.0000
683	G	A	-0.4929
684	E	A	-0.9649
685	T	A	-1.0995
686	V	A	0.0000
687	N	A	-1.9142
688	K	A	-2.6618
689	I	A	0.0000
690	A	A	-2.0861
691	Q	A	-2.9488
692	E	A	-3.2432
693	S	A	-2.6664
694	K	A	-2.8688
695	N	A	-1.9801
696	I	A	-1.3053
697	W	A	-1.2414
698	K	A	-0.8861
699	L	A	-0.0442
700	Q	A	-0.1015
701	R	A	-0.6226
702	A	A	0.0000
703	I	A	0.0920
704	T	A	-0.3800
705	I	A	0.0000
706	L	A	0.0000
707	D	A	-0.9694
708	T	A	-0.3758
709	E	A	-0.1522
710	K	A	-0.2225
711	S	A	0.1567
712	F	A	1.3233
713	L	A	1.3921
714	K	A	-0.5841
715	C	A	-0.2423
716	M	A	0.0571
717	R	A	-1.7654
718	K	A	-1.5192
719	A	A	-0.1641
720	F	A	-0.2393
721	R	A	-0.9477
722	S	A	-1.0270
723	G	A	-1.4297
724	K	A	-1.0197
725	L	A	0.5503
726	L	A	1.4671
727	Q	A	0.2184
728	V	A	0.0000
729	G	A	-0.4984
730	F	A	-1.7095
731	T	A	-1.8973
732	P	A	-2.0770
733	D	A	-2.7715
734	G	A	-2.5123
735	K	A	-3.0208
736	D	A	-2.3297
737	D	A	0.0000
738	Y	A	1.1958
739	R	A	0.3330
740	W	A	-0.3838
741	C	A	0.0000
742	F	A	0.0000
743	R	A	-2.6750
744	V	A	0.0000
745	D	A	-1.8777
746	E	A	-0.7061
747	V	A	1.0417
748	N	A	-0.1765
749	W	A	0.8205
750	T	A	0.2946
751	T	A	0.0193
335	T	B	-0.1158
336	P	B	0.4490
337	L	B	0.0000
338	A	B	0.1554
339	L	B	1.2914
340	A	B	0.0000
341	A	B	0.0000
342	S	B	-0.0877
343	S	B	-0.4224
344	G	B	0.0000
345	K	B	-0.5354
346	I	B	0.4087
347	G	B	0.7776
348	V	B	1.8725
349	L	B	0.0000
350	A	B	0.7217
351	Y	B	1.2768
352	I	B	0.0000
353	L	B	0.0000
354	Q	B	-1.0572
355	R	B	-1.1062
356	E	B	-2.2595
357	I	B	-1.7417
358	H	B	-2.5191
359	E	B	-2.9609
360	P	B	-2.1743
361	E	B	-2.6194
362	C	B	-1.7214
363	R	B	-1.8814
364	H	B	-0.8439
365	L	B	-0.0026
366	S	B	0.0000
367	R	B	-0.6321
368	K	B	0.0000
369	F	B	0.0000
370	T	B	-1.4713
371	E	B	-1.7787
372	W	B	0.0108
373	A	B	0.3225
374	Y	B	1.5717
375	G	B	0.6349
376	P	B	0.5115
377	V	B	0.7318
378	H	B	-0.4494
379	S	B	0.0000
380	S	B	0.0000
381	L	B	0.0000
382	Y	B	0.0000
383	D	B	0.0000
384	L	B	0.0000
385	S	B	-0.2348
386	C	B	0.0000
387	I	B	0.0000
388	D	B	-0.6632
389	T	B	-0.9905
390	C	B	-1.2681
391	E	B	-2.7621
392	K	B	-3.1393
393	N	B	-2.3413
394	S	B	0.0000
395	V	B	0.0000
396	L	B	0.0000
397	E	B	-0.6610
398	V	B	0.0000
399	I	B	0.0000
400	A	B	0.0000
401	Y	B	0.0478
402	S	B	-0.6268
403	S	B	-0.6680
404	S	B	-1.1640
405	E	B	-2.2756
406	T	B	-1.5713
407	P	B	-1.5116
408	N	B	-1.3824
409	R	B	-1.0326
410	H	B	-0.1928
411	D	B	0.0000
412	M	B	0.0000
413	L	B	-0.2448
414	L	B	0.6262
415	V	B	0.0000
416	E	B	-1.4501
417	P	B	0.0000
418	L	B	0.0000
419	N	B	-1.5316
420	R	B	-2.5510
421	L	B	0.0000
422	L	B	0.0000
423	Q	B	-2.3186
424	D	B	0.0000
425	K	B	0.0000
426	W	B	0.0000
427	D	B	-3.3998
428	R	B	-3.5082
429	F	B	0.0000
430	V	B	0.0000
431	K	B	-2.2236
432	R	B	-2.1330
433	I	B	0.0000
434	F	B	0.0000
435	Y	B	1.7624
436	F	B	2.4779
437	N	B	1.1902
438	F	B	2.3059
439	F	B	3.4912
440	V	B	2.7450
441	Y	B	0.0000
442	C	B	2.2759
443	L	B	2.3895
444	Y	B	0.0000
445	M	B	0.0000
446	I	B	2.3746
447	I	B	1.6214
448	F	B	0.0000
449	T	B	0.0000
450	A	B	0.8626
451	A	B	1.0990
452	A	B	0.0000
453	Y	B	0.9745
454	Y	B	1.4202
455	R	B	0.6245
456	P	B	0.6418
457	V	B	0.7522
458	E	B	-1.2124
459	G	B	-0.9021
460	L	B	-0.6689
461	P	B	-0.7657
462	P	B	-0.2084
463	Y	B	-0.5134
464	K	B	-1.7631
465	L	B	-1.3179
466	K	B	-2.1577
467	N	B	-1.2061
468	T	B	0.2501
469	V	B	1.9131
470	G	B	1.3860
471	D	B	0.7329
472	Y	B	2.0668
473	F	B	2.5676
474	R	B	1.6806
475	V	B	1.5769
476	T	B	1.7397
477	G	B	1.4472
478	E	B	0.8722
479	I	B	2.1682
480	L	B	1.6292
481	S	B	0.0000
482	V	B	1.3455
483	S	B	1.2568
484	G	B	1.0916
485	G	B	0.0000
486	V	B	2.0670
487	Y	B	2.2453
488	F	B	0.0000
489	F	B	2.1199
490	F	B	2.4431
491	R	B	1.0523
492	G	B	0.0000
493	I	B	1.0563
494	Q	B	-0.3968
495	Y	B	-0.2058
496	F	B	0.0411
497	L	B	0.1453
498	Q	B	-1.2239
499	R	B	-1.3743
500	R	B	-1.8341
501	P	B	-0.6972
502	S	B	-0.1612
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