Project name: 42K

Chain sequence(s)	A: APTSSSTKKTQLQLEHLLLDLQMILNGINNYKNPELTRMLTAKFYMPKKATELKHLQCLEEELKPLEEVLNLAQSKNFHLRPRDLISNINVIVLELKGSETTFMCEYADETATIVEFLNRWITFSDSIISTLT
Selected Chain(s)	A
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 A 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                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.8445
• Maximal score value: 1.0032
• Average score: -0.9394
• Total score value: -124.9399

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	A	A	-0.1250
2	P	A	-0.5587
3	T	A	-0.6144
4	S	A	-1.0964
5	S	A	-1.4392
6	S	A	-1.5422
7	T	A	-1.3975
8	K	A	-2.3862
9	K	A	-2.3265
10	T	A	-1.3809
11	Q	A	-0.9682
12	L	A	-0.1148
13	Q	A	-0.5420
14	L	A	0.0000
15	E	A	-0.5026
16	H	A	-0.5626
17	L	A	0.0000
18	L	A	0.2893
19	L	A	1.0032
20	D	A	-0.0238
21	L	A	0.0000
22	Q	A	-0.1719
23	M	A	-0.0382
24	I	A	0.0000
25	L	A	-1.0043
26	N	A	-1.7908
27	G	A	-1.5707
28	I	A	0.0000
29	N	A	-1.7498
30	N	A	-1.4667
31	Y	A	-0.1272
32	K	A	-1.7378
33	N	A	0.0000
34	P	A	-1.0640
35	E	A	-1.1607
36	L	A	-0.7841
37	T	A	-0.8496
38	R	A	-1.7453
39	M	A	0.0000
40	L	A	-0.5541
41	T	A	-0.8178
42	A	A	-1.2854
43	K	A	-1.5582
44	F	A	0.0000
45	Y	A	-0.1515
46	M	A	-1.2476
47	P	A	0.0000
48	K	A	-3.2215
49	K	A	-3.0123
50	A	A	0.0000
51	T	A	-1.2328
52	E	A	-1.8243
53	L	A	-0.9150
54	K	A	-1.1897
55	H	A	0.0000
56	L	A	0.0000
57	Q	A	-0.7135
58	C	A	0.0000
59	L	A	0.0000
60	E	A	-0.9549
61	E	A	-1.2907
62	E	A	0.0000
63	L	A	0.0000
64	K	A	-2.8584
65	P	A	-2.0478
66	L	A	0.0000
67	E	A	-2.9933
68	E	A	-3.0380
69	V	A	0.0000
70	L	A	0.0000
71	N	A	-2.6582
72	L	A	-1.3703
73	A	A	0.0000
74	Q	A	-2.3784
75	S	A	-2.2948
76	K	A	-2.8176
77	N	A	-2.4513
78	F	A	0.0000
79	H	A	-1.3296
80	L	A	-1.2559
81	R	A	-3.2300
82	P	A	-2.9238
83	R	A	-3.8445
84	D	A	-2.9924
85	L	A	0.0000
86	I	A	0.0000
87	S	A	-1.6049
88	N	A	-1.5119
89	I	A	0.0000
90	N	A	-0.5491
91	V	A	0.8149
92	I	A	-0.0712
93	V	A	0.0000
94	L	A	0.0802
95	E	A	-1.1779
96	L	A	0.0000
97	K	A	-1.3875
98	G	A	-1.5000
99	S	A	-1.5530
100	E	A	-2.1467
101	T	A	-0.9271
102	T	A	-0.2658
103	F	A	0.0229
104	M	A	0.6303
105	C	A	-0.7439
106	E	A	-2.1360
107	Y	A	-1.5966
108	A	A	-2.3013
109	D	A	-2.8477
110	E	A	-2.7862
111	T	A	-1.5398
112	A	A	0.0000
113	T	A	-0.7550
114	I	A	0.0000
115	V	A	-0.9781
116	E	A	-1.8756
117	F	A	0.0000
118	L	A	0.0000
119	N	A	-1.4955
120	R	A	-1.3776
121	W	A	0.0000
122	I	A	-0.6189
123	T	A	-0.6498
124	F	A	0.0000
125	S	A	0.0000
126	D	A	-1.0359
127	S	A	-0.6154
128	I	A	-0.2892
129	I	A	0.0158
130	S	A	-0.2540
131	T	A	0.0049
132	L	A	0.1688
133	T	A	-0.0829