Project name: lanm_B1_test2

Chain sequence(s)	A: ASGADALKALNKDNDDSLEIAEVIHAGATTFTAINPDGDTTLESGETKGRLTEKDWARANKDGDQTLEMDEWLKILKTRFKRADANKDGKLTAAELDSKAGQGVLVMIMK
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: -4.0426
• Maximal score value: 0.0
• Average score: -1.5147
• Total score value: -166.6182

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	-0.9934
2	S	A	-1.3443
3	G	A	0.0000
4	A	A	-1.6787
5	D	A	-2.2250
6	A	A	0.0000
7	L	A	-2.3556
8	K	A	-2.8237
9	A	A	-1.3093
10	L	A	-1.5463
11	N	A	0.0000
12	K	A	-3.6513
13	D	A	-3.9719
14	N	A	-4.0426
15	D	A	-3.5870
16	D	A	-3.6113
17	S	A	0.0000
18	L	A	0.0000
19	E	A	-1.7643
20	I	A	-0.4337
21	A	A	-0.2881
22	E	A	-1.0144
23	V	A	0.0000
24	I	A	-0.3940
25	H	A	-0.6443
26	A	A	0.0000
27	G	A	0.0000
28	A	A	-0.3653
29	T	A	-0.2237
30	T	A	0.0000
31	F	A	0.0000
32	T	A	-0.4316
33	A	A	-0.1986
34	I	A	-0.5926
35	N	A	0.0000
36	P	A	-1.4397
37	D	A	-2.5129
38	G	A	-2.0462
39	D	A	-2.2456
40	T	A	-1.3790
41	T	A	-1.8869
42	L	A	0.0000
43	E	A	-2.6771
44	S	A	-2.2143
45	G	A	-2.0018
46	E	A	-1.7120
47	T	A	0.0000
48	K	A	-2.7466
49	G	A	-1.8024
50	R	A	-1.2922
51	L	A	0.0000
52	T	A	-2.3668
53	E	A	-3.4845
54	K	A	-3.2956
55	D	A	-2.4893
56	W	A	0.0000
57	A	A	-2.8079
58	R	A	-3.3077
59	A	A	-2.9066
60	N	A	0.0000
61	K	A	-3.5570
62	D	A	-3.6820
63	G	A	-3.1760
64	D	A	-3.3147
65	Q	A	-3.0552
66	T	A	-2.5391
67	L	A	0.0000
68	E	A	-2.2903
69	M	A	-1.3165
70	D	A	-2.3548
71	E	A	-2.4634
72	W	A	0.0000
73	L	A	-1.5119
74	K	A	-2.1852
75	I	A	-1.3848
76	L	A	0.0000
77	K	A	-2.0400
78	T	A	-1.9469
79	R	A	-1.9791
80	F	A	0.0000
81	K	A	-3.6078
82	R	A	-3.4811
83	A	A	0.0000
84	D	A	0.0000
85	A	A	-2.2048
86	N	A	-2.9851
87	K	A	-3.6842
88	D	A	-3.0472
89	G	A	-2.3218
90	K	A	-2.3732
91	L	A	0.0000
92	T	A	-1.2283
93	A	A	-1.0316
94	A	A	-0.6593
95	E	A	-1.5051
96	L	A	0.0000
97	D	A	-2.3030
98	S	A	-1.9348
99	K	A	-2.5475
100	A	A	-2.1004
101	G	A	0.0000
102	Q	A	-1.4502
103	G	A	-1.0130
104	V	A	0.0000
105	L	A	0.0000
106	V	A	-0.0280
107	M	A	0.0000
108	I	A	0.0000
109	M	A	-0.6887
110	K	A	-1.5201