Project name: KAP4

Chain sequence(s)	A: MASCSTSGTCGSSCCQPSETSQPSQTSSGIGGGIGYGQEGSGGSVSTRIRWHPDHVEGTLKPYLVSTPPSQLHHAEASRPSYCGQSCCRPANFCHCCEKT
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -2.7031
• Maximal score value: 2.7233
• Average score: -0.6578
• Total score value: -65.7781

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	1.0916
2	A	A	0.5545
3	S	A	-0.2691
4	C	A	-0.3460
5	S	A	-0.2862
6	T	A	-0.3858
7	S	A	-0.7420
8	G	A	-0.8299
9	T	A	-0.3899
10	C	A	-0.1854
11	G	A	0.0000
12	S	A	-0.9068
13	S	A	-0.6476
14	C	A	-0.3299
15	C	A	0.0000
16	Q	A	-1.7804
17	P	A	-1.3449
18	S	A	-1.2844
19	E	A	-2.3847
20	T	A	-1.4654
21	S	A	-1.3816
22	Q	A	-2.1405
23	P	A	-1.5198
24	S	A	-1.3185
25	Q	A	-1.5783
26	T	A	-0.7395
27	S	A	-0.5621
28	S	A	0.0323
29	G	A	0.4894
30	I	A	1.9641
31	G	A	1.0394
32	G	A	0.3244
33	G	A	0.6729
34	I	A	1.4092
35	G	A	0.1204
36	Y	A	-0.0741
37	G	A	-0.5825
38	Q	A	-1.8214
39	E	A	-2.5306
40	G	A	-1.9139
41	S	A	-1.1196
42	G	A	-0.8123
43	G	A	-0.4019
44	S	A	0.3527
45	V	A	1.1473
46	S	A	0.2936
47	T	A	-0.2600
48	R	A	-1.0840
49	I	A	0.3817
50	R	A	-1.1023
51	W	A	-0.1284
52	H	A	-1.3439
53	P	A	-1.4725
54	D	A	-2.1626
55	H	A	-1.7909
56	V	A	-0.1044
57	E	A	-1.5345
58	G	A	-0.8174
59	T	A	-0.2005
60	L	A	0.6608
61	K	A	-0.5984
62	P	A	0.7021
63	Y	A	2.1990
64	L	A	2.6963
65	V	A	2.7233
66	S	A	1.1362
67	T	A	0.3148
68	P	A	-0.2899
69	P	A	-0.4567
70	S	A	-0.6557
71	Q	A	-1.0356
72	L	A	0.0497
73	H	A	-1.3279
74	H	A	-1.6801
75	A	A	-1.4157
76	E	A	-2.5037
77	A	A	-1.5795
78	S	A	-1.8785
79	R	A	-2.4452
80	P	A	-1.8142
81	S	A	-1.4206
82	Y	A	-0.8366
83	C	A	0.0000
84	G	A	-0.7894
85	Q	A	-1.4589
86	S	A	-1.2577
87	C	A	-1.1863
88	C	A	-1.6154
89	R	A	-2.2462
90	P	A	-1.2152
91	A	A	-1.0350
92	N	A	-1.1012
93	F	A	-0.2934
94	C	A	-0.8036
95	H	A	-1.0911
96	C	A	-1.0779
97	C	A	0.0000
98	E	A	-2.3911
99	K	A	-2.7031
100	T	A	-1.8536