Project name: KAP1

Chain sequence(s)	A: MSYNCCSRNFSSRSCGGYLHYPASSCGFSYPSNLVYSTDLCSPSTCQLGSSLYRGCQEQTSCYRPRTSLLCSPCQTTYSGSLGFGSSSCRSLGYGSRSCYVGCGSSG
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)

• Minimal score value: -2.8989
• Maximal score value: 2.698
• Average score: 0.1766
• Total score value: 18.8984

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
1	M	A	1.2533
2	S	A	0.7135
3	Y	A	1.0905
4	N	A	-0.1691
5	C	A	0.5136
6	C	A	0.2221
7	S	A	-0.7975
8	R	A	-1.8593
9	N	A	-1.2804
10	F	A	0.5020
11	S	A	-0.2886
12	S	A	-0.9058
13	R	A	-1.7316
14	S	A	-0.7666
15	C	A	-0.1005
16	G	A	-0.1227
17	G	A	0.4025
18	Y	A	1.5111
19	L	A	1.8866
20	H	A	0.6597
21	Y	A	1.0602
22	P	A	0.2656
23	A	A	0.0910
24	S	A	-0.0915
25	S	A	0.1018
26	C	A	0.7799
27	G	A	0.7023
28	F	A	1.9991
29	S	A	1.1987
30	Y	A	1.4508
31	P	A	0.3927
32	S	A	-0.1350
33	N	A	0.0162
34	L	A	2.0423
35	V	A	2.6980
36	Y	A	2.0888
37	S	A	0.9475
38	T	A	-0.0262
39	D	A	-0.7690
40	L	A	0.8736
41	C	A	0.7429
42	S	A	0.1645
43	P	A	0.0121
44	S	A	-0.2970
45	T	A	-0.0707
46	C	A	0.4338
47	Q	A	-0.2985
48	L	A	0.8649
49	G	A	0.0478
50	S	A	-0.0163
51	S	A	0.5641
52	L	A	1.4934
53	Y	A	1.0989
54	R	A	-1.1020
55	G	A	-0.9962
56	C	A	-0.9834
57	Q	A	-2.4666
58	E	A	-2.8989
59	Q	A	-2.3030
60	T	A	-1.0804
61	S	A	-0.4425
62	C	A	0.5507
63	Y	A	0.3910
64	R	A	-1.7156
65	P	A	-1.6691
66	R	A	-2.2567
67	T	A	-0.8164
68	S	A	0.5282
69	L	A	2.0963
70	L	A	2.4859
71	C	A	1.7657
72	S	A	0.6817
73	P	A	0.1082
74	C	A	0.0498
75	Q	A	-0.8196
76	T	A	-0.1513
77	T	A	0.1712
78	Y	A	0.8527
79	S	A	0.3544
80	G	A	0.1806
81	S	A	0.6458
82	L	A	1.4576
83	G	A	1.0392
84	F	A	1.7100
85	G	A	0.5240
86	S	A	-0.1341
87	S	A	0.1082
88	S	A	-0.1546
89	C	A	-0.1877
90	R	A	-1.4848
91	S	A	-0.5090
92	L	A	0.6976
93	G	A	0.2971
94	Y	A	0.8821
95	G	A	-0.2081
96	S	A	-0.8434
97	R	A	-1.6496
98	S	A	-0.3058
99	C	A	1.0126
100	Y	A	2.2698
101	V	A	2.3882
102	G	A	0.9921
103	C	A	0.7785
104	G	A	-0.2990
105	S	A	-0.5301
106	S	A	-0.5855
107	G	A	-0.6869