Project name: KAP3

Chain sequence(s)	A: MDCSASRSCSVPTGPATTICSSDKSCRCGVSLPSTCPHTVWLLEPICCDNCPPPSPQPCVPTCFLLNSCQPTPGLETLNLTTFTQGAVSTRIRWSRPDCRVEG
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -2.8161
• Maximal score value: 1.5214
• Average score: -0.5764
• Total score value: -59.3666

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	0.1530
2	D	A	-1.3260
3	C	A	-0.5160
4	S	A	-0.8540
5	A	A	-1.1473
6	S	A	-1.1124
7	R	A	-1.9111
8	S	A	-1.0939
9	C	A	-0.1632
10	S	A	-0.3810
11	V	A	0.4858
12	P	A	-0.1419
13	T	A	-0.2795
14	G	A	-0.4943
15	P	A	-0.4088
16	A	A	-0.0864
17	T	A	0.2494
18	T	A	0.0000
19	I	A	1.4447
20	C	A	0.4119
21	S	A	-0.5984
22	S	A	-1.6211
23	D	A	-2.7442
24	K	A	-2.8161
25	S	A	-1.8794
26	C	A	-2.1435
27	R	A	-2.0164
28	C	A	0.0000
29	G	A	0.0000
30	V	A	0.1746
31	S	A	-0.0576
32	L	A	0.2838
33	P	A	-0.1240
34	S	A	-0.1674
35	T	A	-0.2022
36	C	A	-0.0146
37	P	A	-0.5063
38	H	A	-0.7925
39	T	A	0.0453
40	V	A	0.8532
41	W	A	0.6313
42	L	A	0.5437
43	L	A	-0.1627
44	E	A	-1.4006
45	P	A	-0.4253
46	I	A	0.0639
47	C	A	-0.1174
48	C	A	-0.9065
49	D	A	-2.1396
50	N	A	-2.1674
51	C	A	-0.8587
52	P	A	-0.7453
53	P	A	-0.8173
54	P	A	-0.5405
55	S	A	-0.7806
56	P	A	-0.6331
57	Q	A	-0.7935
58	P	A	0.0497
59	C	A	0.6355
60	V	A	0.5961
61	P	A	-0.0449
62	T	A	0.2729
63	C	A	0.0000
64	F	A	0.0000
65	L	A	0.0000
66	L	A	0.0000
67	N	A	0.1578
68	S	A	0.0000
69	C	A	0.0028
70	Q	A	0.0488
71	P	A	-0.4148
72	T	A	0.0000
73	P	A	-0.6244
74	G	A	-0.8606
75	L	A	-0.8104
76	E	A	-1.9658
77	T	A	-1.5749
78	L	A	-1.2209
79	N	A	-2.1109
80	L	A	-0.9797
81	T	A	-0.6223
82	T	A	0.5318
83	F	A	1.5214
84	T	A	0.6097
85	Q	A	-0.7392
86	G	A	-0.2619
87	A	A	0.6344
88	V	A	1.4180
89	S	A	0.3537
90	T	A	-0.3847
91	R	A	-2.0459
92	I	A	-1.5576
93	R	A	-2.6432
94	W	A	-1.6074
95	S	A	-1.6300
96	R	A	-1.5654
97	P	A	-1.6211
98	D	A	-2.0641
99	C	A	-1.2789
100	R	A	-1.8384
101	V	A	-0.2304
102	E	A	-1.6550
103	G	A	-1.0990