Project name: Lys pH 9

Chain sequence(s)	X: KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Selected Chain(s)	X
Distance of aggregation	10 Å
FoldX usage	No
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 X chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Movie:    Creting movie with webm format                                              (00:01:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:02)

• Minimal score value: -3.0752
• Maximal score value: 0.5179
• Average score: -1.0646
• Total score value: -137.3384

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	X	-1.4752
2	V	X	0.3934
3	F	X	-0.3587
4	G	X	-1.0535
5	R	X	-1.5858
6	C	X	-1.2784
7	E	X	-1.8578
8	L	X	0.0000
9	A	X	0.0000
10	A	X	-1.5555
11	A	X	0.0000
12	M	X	0.0000
13	K	X	-2.6415
14	R	X	-2.7482
15	H	X	-2.2387
16	G	X	-2.2451
17	L	X	0.0000
18	D	X	-2.3657
19	N	X	-2.2447
20	Y	X	-1.7410
21	R	X	-2.4445
22	G	X	-1.7210
23	Y	X	-1.1583
24	S	X	-0.9349
25	L	X	0.0000
26	G	X	0.0000
27	N	X	0.0000
28	W	X	0.0000
29	V	X	0.0000
30	C	X	0.0000
31	A	X	0.0000
32	A	X	0.0000
33	K	X	-1.3619
34	F	X	-0.4765
35	E	X	-0.6982
36	S	X	-1.1048
37	N	X	-1.3679
38	F	X	-0.8212
39	N	X	-1.0231
40	T	X	0.0000
41	Q	X	-1.3474
42	A	X	-1.1924
43	T	X	-1.5299
44	N	X	-2.3880
45	R	X	-3.0752
46	N	X	-2.3575
47	T	X	-1.5543
48	D	X	-2.4295
49	G	X	-2.1989
50	S	X	0.0000
51	T	X	0.0000
52	D	X	-1.3491
53	Y	X	-0.6682
54	G	X	0.0000
55	I	X	0.0000
56	L	X	0.0000
57	Q	X	0.0000
58	I	X	0.0000
59	N	X	-0.8922
60	S	X	0.0000
61	R	X	-1.9710
62	W	X	-0.4993
63	W	X	-0.5370
64	C	X	0.0000
65	N	X	-2.1232
66	D	X	-1.9431
67	G	X	-2.0374
68	R	X	-2.5964
69	T	X	0.0000
70	P	X	-1.6084
71	G	X	-1.5651
72	S	X	-2.1038
73	R	X	-2.3117
74	N	X	-1.6071
75	L	X	-0.5441
76	C	X	-0.8575
77	N	X	-1.5559
78	I	X	-0.6912
79	P	X	-0.9032
80	C	X	0.0000
81	S	X	-0.4258
82	A	X	-0.3660
83	L	X	0.0000
84	L	X	-0.5046
85	S	X	-1.1007
86	S	X	-1.5781
87	D	X	-2.1063
88	I	X	0.0000
89	T	X	-1.2631
90	A	X	-0.9546
91	S	X	0.0000
92	V	X	0.0000
93	N	X	-1.7231
94	C	X	0.0000
95	A	X	0.0000
96	K	X	-1.4858
97	K	X	-1.5772
98	I	X	0.0000
99	V	X	0.0000
100	S	X	-1.5974
101	D	X	-1.5929
102	G	X	-1.8911
103	N	X	-2.0038
104	G	X	-1.3276
105	M	X	0.0000
106	N	X	-1.2853
107	A	X	-0.1642
108	W	X	0.0286
109	V	X	0.5179
110	A	X	-0.6383
111	W	X	-1.4025
112	R	X	-2.1205
113	N	X	-2.4867
114	R	X	-2.7642
115	C	X	0.0000
116	K	X	-2.9554
117	G	X	-2.1097
118	T	X	-1.9052
119	D	X	-2.0807
120	V	X	-1.5211
121	Q	X	-1.1190
122	A	X	-1.1057
123	W	X	-0.6812
124	I	X	-0.8995
125	R	X	-1.9777
126	G	X	-1.3800
127	C	X	-1.3150
128	R	X	-1.5962
129	L	X	-0.3320