Project name: GENTAX_ED

Chain sequence(s)	A: YPQNQGITQERTCEQKASKRPGTVKRPRCWRFSIGSAPLTSITKIDAQVRGGETRQDYKDTRRFPLEAPSCALLFRPCRLPDTCPPFSLREAWRFLIAHAVGISVRCRSFAPSWAVCTNPPFSPTAAPYPVTIVLSPTR
Selected Chain(s)	A
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 A 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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.4111
• Maximal score value: 3.7783
• Average score: -0.1332
• Total score value: -18.5202

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
552	Y	A	0.7965
553	P	A	-0.6402
554	Q	A	-2.0256
555	N	A	-2.2196
556	Q	A	-1.9702
557	G	A	-0.6315
558	I	A	0.8013
559	T	A	-0.6927
560	Q	A	-2.2553
561	E	A	-3.0216
562	R	A	-3.2450
563	T	A	-2.0402
564	C	A	-1.5312
565	E	A	-2.8976
566	Q	A	-2.7363
567	K	A	-3.0334
568	A	A	-2.2085
569	S	A	-2.1866
570	K	A	-3.0474
571	R	A	-2.9807
572	P	A	-1.6370
573	G	A	-1.1189
574	T	A	-0.3176
575	V	A	0.2700
576	K	A	-2.0583
577	R	A	-2.6944
578	P	A	-1.8099
579	R	A	-2.1432
580	C	A	-0.2044
581	W	A	0.6327
582	R	A	-0.0475
583	F	A	1.8817
584	S	A	1.1333
585	I	A	1.9506
586	G	A	0.6107
587	S	A	0.2628
588	A	A	0.6002
589	P	A	0.5925
590	L	A	1.8082
591	T	A	0.9243
592	S	A	0.8038
593	I	A	1.8834
594	T	A	0.1679
595	K	A	-0.7926
596	I	A	0.6903
597	D	A	-1.1521
598	A	A	-1.1398
599	Q	A	-1.3826
600	V	A	-0.4415
601	R	A	-2.1752
602	G	A	-2.0999
603	G	A	-2.1101
604	E	A	-2.9388
605	T	A	-2.5500
606	R	A	-3.2872
607	Q	A	-3.1438
608	D	A	-2.8962
609	Y	A	-1.3099
610	K	A	-2.8341
611	D	A	-3.4111
612	T	A	-2.2834
613	R	A	-3.1232
614	R	A	-1.9141
615	F	A	0.6443
616	P	A	0.2110
617	L	A	0.8810
618	E	A	-0.9279
619	A	A	-0.5581
620	P	A	-0.1329
621	S	A	0.4153
622	C	A	1.6997
623	A	A	1.5142
624	L	A	2.0360
625	L	A	2.5698
626	F	A	2.3255
627	R	A	-0.2490
628	P	A	-0.0211
629	C	A	-0.1864
630	R	A	-1.3428
631	L	A	0.3533
632	P	A	-0.6468
633	D	A	-1.6793
634	T	A	-0.4644
635	C	A	0.5934
636	P	A	0.2299
637	P	A	0.9004
638	F	A	1.6277
639	S	A	0.6755
640	L	A	0.7337
641	R	A	-1.2082
642	E	A	-0.8279
643	A	A	0.8602
644	W	A	0.9487
645	R	A	-0.3276
646	F	A	1.8345
647	L	A	2.3885
648	I	A	2.3081
649	A	A	2.0785
650	H	A	1.3427
651	A	A	1.4361
652	V	A	2.2892
653	G	A	1.3787
654	I	A	2.5625
655	S	A	1.2887
656	V	A	1.1848
657	R	A	-0.8889
658	C	A	-0.3650
659	R	A	-1.2494
660	S	A	-0.0197
661	F	A	1.6502
662	A	A	0.7717
663	P	A	0.9800
664	S	A	1.1131
665	W	A	1.7203
666	A	A	1.5908
667	V	A	2.2090
668	C	A	1.3422
669	T	A	0.1912
670	N	A	-0.6390
671	P	A	-0.3681
672	P	A	0.0978
673	F	A	1.3214
674	S	A	0.3291
675	P	A	0.1059
676	T	A	0.0087
677	A	A	0.0616
678	A	A	0.2184
679	P	A	0.6001
680	Y	A	1.5823
681	P	A	1.4520
682	V	A	2.7940
683	T	A	2.6407
684	I	A	3.7783
685	V	A	3.6434
686	L	A	2.8253
687	S	A	0.9721
688	P	A	-0.2591
689	T	A	-0.9215
690	R	A	-1.9784