Project name: 35f18a570a8f0ac

Chain sequence(s)	A: MSSQTVTPDPYGNLAESYDRLAQWAIDQQQESPRDRVGDFLQTFWQSQDRPVRTVLEICCGTGLMLAELARRGYVVTGLDRSAAMLEQARARMGGKTTLIRAEL
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.5915
• Maximal score value: 2.3446
• Average score: -0.7457
• Total score value: -77.5503

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	A	0.6945
2	S	A	-0.1778
3	S	A	-0.2762
4	Q	A	-0.6508
5	T	A	-0.0317
6	V	A	0.8459
7	T	A	0.0254
8	P	A	-0.5942
9	D	A	-1.0460
10	P	A	-0.5887
11	Y	A	-0.2657
12	G	A	-1.0168
13	N	A	-1.5782
14	L	A	-0.7496
15	A	A	-1.3582
16	E	A	-2.2655
17	S	A	-1.3475
18	Y	A	-0.9252
19	D	A	-1.2829
20	R	A	-1.8929
21	L	A	-0.1086
22	A	A	0.0000
23	Q	A	-1.7586
24	W	A	-0.9028
25	A	A	-1.7222
26	I	A	-2.3678
27	D	A	-2.7282
28	Q	A	-2.8816
29	Q	A	-3.0648
30	Q	A	-2.6444
31	E	A	-2.3545
32	S	A	-2.2192
33	P	A	-2.4739
34	R	A	-1.8574
35	D	A	-2.7880
36	R	A	-2.5883
37	V	A	-0.9831
38	G	A	0.0000
39	D	A	-1.2693
40	F	A	1.1911
41	L	A	0.9221
42	Q	A	0.1206
43	T	A	0.4308
44	F	A	1.5619
45	W	A	-0.5310
46	Q	A	-1.8455
47	S	A	-1.3471
48	Q	A	-2.8808
49	D	A	-3.5915
50	R	A	-3.4280
51	P	A	-2.2357
52	V	A	-1.0557
53	R	A	-1.5080
54	T	A	-0.3153
55	V	A	0.0000
56	L	A	1.3544
57	E	A	1.0467
58	I	A	2.3446
59	C	A	1.6018
60	C	A	1.1185
61	G	A	0.0000
62	T	A	0.0000
63	G	A	0.0000
64	L	A	0.0878
65	M	A	-0.2888
66	L	A	0.0000
67	A	A	-0.5826
68	E	A	0.0000
69	L	A	0.0000
70	A	A	-1.1188
71	R	A	-2.1500
72	R	A	-1.6274
73	G	A	-1.2462
74	Y	A	-0.5323
75	V	A	0.1215
76	V	A	0.0000
77	T	A	0.5022
78	G	A	0.0000
79	L	A	1.2081
80	D	A	0.5756
81	R	A	-0.0249
82	S	A	0.0000
83	A	A	-0.8727
84	A	A	-1.0560
85	M	A	0.0000
86	L	A	0.0000
87	E	A	-2.4011
88	Q	A	-1.9299
89	A	A	0.0000
90	R	A	-2.1501
91	A	A	-1.5316
92	R	A	-1.5936
93	M	A	0.0000
94	G	A	-1.4932
95	G	A	-1.6494
96	K	A	-1.9435
97	T	A	-0.8545
98	T	A	-0.2905
99	L	A	0.0000
100	I	A	0.5770
101	R	A	-0.0975
102	A	A	0.3385
103	E	A	-0.1949
104	L	A	0.9094