Project name: PTL

Chain sequence(s)	A: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
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                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:19)

• Minimal score value: -3.2467
• Maximal score value: 2.4777
• Average score: -0.4928
• Total score value: -63.0834

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	K	A	-1.5871
2	V	A	-0.2850
3	F	A	0.2852
4	G	A	0.0000
5	R	A	-0.6740
6	C	A	0.2199
7	E	A	-0.0688
8	L	A	0.0628
9	A	A	-0.3031
10	A	A	-0.8548
11	A	A	-0.9768
12	M	A	-0.4849
13	K	A	-2.3772
14	R	A	-2.8896
15	H	A	-2.1473
16	G	A	-1.2130
17	L	A	0.2298
18	D	A	-1.6174
19	N	A	-1.7850
20	Y	A	-0.9189
21	R	A	-1.6039
22	G	A	-0.6185
23	Y	A	1.1284
24	S	A	0.4785
25	L	A	1.3343
26	G	A	0.3149
27	N	A	-0.1360
28	W	A	1.6456
29	V	A	2.3865
30	C	A	1.5515
31	A	A	0.5589
32	A	A	0.0460
33	K	A	-1.1373
34	F	A	-0.0241
35	E	A	-1.6631
36	S	A	0.0000
37	N	A	-0.8778
38	F	A	0.4809
39	N	A	-0.9101
40	T	A	-1.0598
41	Q	A	-1.3833
42	A	A	-0.3762
43	T	A	-0.9280
44	N	A	-2.7021
45	R	A	-3.0870
46	N	A	-2.3940
47	T	A	-1.6291
48	D	A	-2.4915
49	G	A	-2.0201
50	S	A	0.0000
51	T	A	-1.8572
52	D	A	-1.1180
53	Y	A	0.0930
54	G	A	0.8366
55	I	A	2.4777
56	L	A	1.8854
57	Q	A	-0.1776
58	I	A	0.3558
59	N	A	-0.7528
60	S	A	-0.6288
61	R	A	-1.7765
62	W	A	0.1237
63	W	A	0.3998
64	C	A	0.0000
65	N	A	-1.4616
66	D	A	-2.6270
67	G	A	-2.3123
68	R	A	-2.7287
69	T	A	-2.1917
70	P	A	-1.3950
71	G	A	-1.3071
72	S	A	-1.3939
73	R	A	-1.0360
74	N	A	-1.6893
75	L	A	0.5016
76	C	A	0.1026
77	N	A	-0.9432
78	I	A	0.2702
79	P	A	-0.3578
80	C	A	0.3003
81	S	A	0.4084
82	A	A	0.8286
83	L	A	1.2798
84	L	A	1.4540
85	S	A	0.0407
86	S	A	-0.7434
87	D	A	-0.8286
88	I	A	0.7117
89	T	A	0.3790
90	A	A	0.0969
91	S	A	0.2756
92	V	A	0.8045
93	N	A	-0.6721
94	C	A	0.3454
95	A	A	0.1759
96	K	A	-1.6258
97	K	A	-0.9737
98	I	A	1.4582
99	V	A	0.7991
100	S	A	-1.1503
101	D	A	-1.8889
102	G	A	-1.5425
103	N	A	-1.5472
104	G	A	-1.0185
105	M	A	-0.0509
106	N	A	-0.3586
107	A	A	0.6667
108	W	A	1.8817
109	V	A	2.1224
110	A	A	0.7861
111	W	A	-0.5802
112	R	A	-2.4625
113	N	A	-3.0827
114	R	A	-3.2467
115	C	A	-1.8985
116	K	A	-2.3971
117	G	A	-1.4081
118	T	A	-0.5350
119	D	A	-0.1787
120	V	A	1.7103
121	Q	A	0.5369
122	A	A	1.2187
123	W	A	1.5978
124	I	A	0.9480
125	R	A	-1.1076
126	G	A	-1.0741
127	C	A	-0.6312
128	R	A	-1.6975