Project name: KAP2

Chain sequence(s)	A: EPTSCQTSYVESSPCQTSCYRPRTSLLCSPCQTTYSGSLGFGSSSCRSLGYGSRSCYVGCGSSGFRSLGYGGCGFPSLSYGSRFCRPTYLASRS
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.                                          (00:00:26)

• Minimal score value: -2.05
• Maximal score value: 2.352
• Average score: 0.2151
• Total score value: 20.2165

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	E	A	-1.9860
2	P	A	-1.1335
3	T	A	-0.7029
4	S	A	-0.5121
5	C	A	-0.0555
6	Q	A	-0.8368
7	T	A	-0.0686
8	S	A	0.2853
9	Y	A	1.1505
10	V	A	1.0194
11	E	A	-1.0261
12	S	A	-0.4952
13	S	A	-0.8755
14	P	A	-0.9402
15	C	A	-0.1925
16	Q	A	-1.0046
17	T	A	0.1241
18	S	A	0.7266
19	C	A	1.2117
20	Y	A	1.1651
21	R	A	-0.7819
22	P	A	-1.2620
23	R	A	-2.0500
24	T	A	-0.9085
25	S	A	0.2535
26	L	A	1.7392
27	L	A	2.3161
28	C	A	1.5091
29	S	A	0.3548
30	P	A	-0.4260
31	C	A	-0.2585
32	Q	A	-1.0301
33	T	A	-0.1987
34	T	A	0.1121
35	Y	A	0.9619
36	S	A	0.4367
37	G	A	0.0458
38	S	A	0.4943
39	L	A	1.4262
40	G	A	0.9086
41	F	A	1.7023
42	G	A	0.3419
43	S	A	0.4526
44	S	A	0.2837
45	S	A	-0.1009
46	C	A	-0.1969
47	R	A	-1.5899
48	S	A	-0.5995
49	L	A	0.8041
50	G	A	0.3111
51	Y	A	0.8729
52	G	A	-0.3187
53	S	A	-0.9658
54	R	A	-1.7994
55	S	A	-0.6473
56	C	A	0.5488
57	Y	A	1.9940
58	V	A	2.3520
59	G	A	1.2792
60	C	A	0.9734
61	G	A	-0.2365
62	S	A	-0.4588
63	S	A	-0.5558
64	G	A	-0.3448
65	F	A	0.8518
66	R	A	-0.7068
67	S	A	0.2612
68	L	A	1.5267
69	G	A	0.6177
70	Y	A	1.5115
71	G	A	1.1488
72	G	A	1.0706
73	C	A	1.4868
74	G	A	1.1161
75	F	A	2.2530
76	P	A	1.0946
77	S	A	1.1033
78	L	A	1.8279
79	S	A	0.6433
80	Y	A	1.1206
81	G	A	0.0216
82	S	A	-0.1486
83	R	A	-0.9724
84	F	A	0.7864
85	C	A	0.1736
86	R	A	-0.9906
87	P	A	0.0355
88	T	A	0.5213
89	Y	A	1.7060
90	L	A	1.6425
91	A	A	0.4534
92	S	A	-0.5424
93	R	A	-1.8396
94	S	A	-1.1548