Project name: rKAP1

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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:33)

• Minimal score value: -2.6423
• Maximal score value: 2.4952
• Average score: 0.0478
• Total score value: 5.118

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	1.1361
2	S	A	0.6417
3	Y	A	1.2659
4	N	A	-0.0137
5	C	A	0.8492
6	C	A	0.2826
7	S	A	-0.9903
8	R	A	-2.2301
9	N	A	-1.5189
10	F	A	0.9602
11	S	A	-0.0136
12	S	A	-0.3405
13	R	A	-1.5456
14	S	A	-0.3268
15	C	A	0.3344
16	G	A	-0.1277
17	G	A	0.2806
18	Y	A	1.3445
19	L	A	1.0877
20	H	A	0.6665
21	Y	A	1.3526
22	P	A	0.5451
23	A	A	0.1227
24	S	A	0.3847
25	S	A	0.4217
26	C	A	0.7727
27	G	A	0.8564
28	F	A	2.0097
29	S	A	1.3208
30	Y	A	1.4320
31	P	A	0.6487
32	S	A	-0.1728
33	N	A	-0.4487
34	L	A	0.9727
35	V	A	1.0478
36	Y	A	1.3032
37	S	A	0.6449
38	T	A	0.1518
39	D	A	-0.5866
40	L	A	1.1775
41	C	A	0.7843
42	S	A	-0.3346
43	P	A	-0.0960
44	S	A	-0.2624
45	T	A	-0.5763
46	C	A	0.0425
47	Q	A	-0.7400
48	L	A	0.0201
49	G	A	0.0028
50	S	A	0.1387
51	S	A	0.6401
52	L	A	1.5796
53	Y	A	1.0693
54	R	A	-0.8824
55	G	A	-0.6644
56	C	A	-0.8906
57	Q	A	-2.4144
58	E	A	-2.6423
59	Q	A	-2.0200
60	T	A	-1.1023
61	S	A	-0.4965
62	C	A	-0.0107
63	Y	A	-0.1592
64	R	A	-1.7456
65	P	A	-1.4984
66	R	A	-2.0955
67	T	A	-0.6632
68	S	A	0.5946
69	L	A	2.1244
70	L	A	2.4952
71	C	A	1.5336
72	S	A	0.7785
73	P	A	0.2531
74	C	A	0.3747
75	Q	A	-0.4839
76	T	A	0.0365
77	T	A	-0.0666
78	Y	A	0.0393
79	S	A	-0.4371
80	G	A	-0.6378
81	S	A	0.0486
82	L	A	0.8957
83	G	A	1.0185
84	F	A	1.8462
85	G	A	0.4892
86	S	A	-0.2592
87	S	A	-0.3690
88	S	A	0.1421
89	C	A	-0.1698
90	R	A	-1.4728
91	S	A	0.0000
92	L	A	0.1736
93	G	A	-0.5145
94	Y	A	-0.4510
95	G	A	-0.6710
96	S	A	-1.5245
97	R	A	-1.6577
98	S	A	-0.5390
99	C	A	0.7575
100	Y	A	1.4007
101	V	A	0.5031
102	G	A	0.0000
103	C	A	0.0711
104	G	A	-0.1298
105	S	A	-0.2876
106	S	A	-0.7983
107	G	A	-0.6703