Project name: 9fbe1317b192b42

Chain sequence(s)	D: MNAKEIVVHALRLLENGDARGWCDLFHPEGVLEYPYPPPGYKTRFEGRETIWAHMRLFPEYMTIRFTDVQFYETADPDLAIGEFHGDGVHSGGKLAADYISVLRTRDGQILLYRLFFNPLRVLEPL
Selected Chain(s)	D
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 D 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                                          (00:01:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:47)

• Minimal score value: -2.9198
• Maximal score value: 1.2443
• Average score: -0.8098
• Total score value: -102.0382

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	D	-0.4760
2	N	D	-1.7928
3	A	D	0.0000
4	K	D	-1.6435
5	E	D	-1.4089
6	I	D	0.0000
7	V	D	0.0000
8	V	D	-0.1477
9	H	D	-0.8092
10	A	D	0.0000
11	L	D	0.0000
12	R	D	-2.2891
13	L	D	-1.6645
14	L	D	-1.7362
15	E	D	0.0000
16	N	D	-2.3406
17	G	D	-2.1976
18	D	D	-2.6111
19	A	D	0.0000
20	R	D	-2.8813
21	G	D	-2.0744
22	W	D	0.0000
23	C	D	0.0000
24	D	D	-2.8066
25	L	D	0.0000
26	F	D	0.0000
27	H	D	-1.8095
28	P	D	-2.1688
29	E	D	-2.6519
30	G	D	0.0000
31	V	D	-1.5081
32	L	D	0.0000
33	E	D	0.0000
34	Y	D	0.0327
35	P	D	0.0593
36	Y	D	1.2443
37	P	D	0.4214
38	P	D	0.0000
39	P	D	0.1820
40	G	D	-0.3512
41	Y	D	0.1342
42	K	D	-1.5216
43	T	D	-1.0626
44	R	D	-2.3086
45	F	D	0.0000
46	E	D	-2.9198
47	G	D	-2.6508
48	R	D	-2.6108
49	E	D	-2.7907
50	T	D	-1.8760
51	I	D	0.0000
52	W	D	-1.5223
53	A	D	-0.7918
54	H	D	-0.5976
55	M	D	0.0000
56	R	D	-1.5525
57	L	D	-0.3018
58	F	D	-0.3164
59	P	D	-1.2875
60	E	D	-1.3497
61	Y	D	0.3394
62	M	D	0.0043
63	T	D	-0.6545
64	I	D	0.0000
65	R	D	-2.2871
66	F	D	-1.4775
67	T	D	-1.5311
68	D	D	-2.0568
69	V	D	-0.6076
70	Q	D	-1.2363
71	F	D	-0.1696
72	Y	D	0.2970
73	E	D	-1.4203
74	T	D	-0.9421
75	A	D	-1.0838
76	D	D	-2.2478
77	P	D	-2.1099
78	D	D	-2.5048
79	L	D	-1.6215
80	A	D	0.0000
81	I	D	0.1737
82	G	D	0.0000
83	E	D	-0.8290
84	F	D	0.0000
85	H	D	-1.7447
86	G	D	0.0000
87	D	D	-1.1588
88	G	D	0.0000
89	V	D	0.1695
90	H	D	-0.7152
93	S	D	-0.5659
94	G	D	-0.6256
95	G	D	-0.4636
96	K	D	-0.4502
97	L	D	-0.2121
98	A	D	-0.7882
99	A	D	0.0000
100	D	D	-2.3412
101	Y	D	0.0000
102	I	D	0.1579
103	S	D	0.0000
104	V	D	0.1171
105	L	D	0.0000
106	R	D	-2.1252
107	T	D	0.0000
108	R	D	-2.8799
109	D	D	-2.6469
110	G	D	-1.5732
111	Q	D	-1.8891
112	I	D	0.0000
113	L	D	-1.4400
114	L	D	-0.8491
115	Y	D	0.0000
116	R	D	-0.4330
117	L	D	0.5137
118	F	D	0.4566
119	F	D	-0.0502
120	N	D	-0.6452
121	P	D	0.3302
122	L	D	0.5848
123	R	D	-0.8737
124	V	D	0.4492
125	L	D	0.6539
126	E	D	-0.9033
127	P	D	-0.2633
128	L	D	0.8874