Project name: Mb5-11_I18L_I104L_VVLLVV_Lib1_Top1

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQVSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTLTVYAVTWYPRYGYGESGPVSVNYRTELDKPSQ
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.                                          (00:00:56)

• Minimal score value: -2.8118
• Maximal score value: 1.3957
• Average score: -0.7456
• Total score value: -81.2741

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	0.2279
2	Q	A	-0.9478
3	A	A	-1.0762
4	N	A	-1.7800
5	S	A	-1.3718
6	G	A	0.0000
7	S	A	-1.3806
8	L	A	0.0000
9	E	A	-1.9459
10	V	A	0.0000
11	V	A	0.1165
12	E	A	-1.4154
13	A	A	-1.3441
14	S	A	-1.6371
15	P	A	-1.9976
16	T	A	-1.2527
17	S	A	-1.2235
18	L	A	0.0000
19	Q	A	-0.9479
20	V	A	0.0000
21	S	A	-1.2040
22	W	A	0.0000
23	D	A	-2.4949
24	A	A	-1.4574
25	F	A	0.0000
26	H	A	-0.8476
27	R	A	-0.2879
28	Y	A	0.6405
29	H	A	-0.0193
30	N	A	-0.6684
31	G	A	0.1379
32	F	A	1.3957
33	T	A	0.6605
34	H	A	0.1002
35	P	A	-0.3522
36	V	A	-1.0133
37	R	A	-1.2728
38	Y	A	-0.8928
39	Y	A	0.0000
40	R	A	-0.7156
41	V	A	0.0000
42	T	A	-0.6456
43	Y	A	-0.3795
44	G	A	-0.6348
45	E	A	-1.3861
46	T	A	-1.1440
47	G	A	-1.1734
48	G	A	-1.3136
49	N	A	-1.5088
50	S	A	-0.8793
51	P	A	-0.3935
52	V	A	0.3053
53	Q	A	-1.2016
54	E	A	-1.7925
55	F	A	-0.6560
56	T	A	-0.1669
57	V	A	-0.4656
58	P	A	-1.0039
59	G	A	-1.2600
60	S	A	-1.3290
61	K	A	-1.9948
62	S	A	-1.3791
63	T	A	-0.9413
64	A	A	0.0000
65	T	A	-0.3948
66	L	A	0.0000
67	S	A	-0.7701
68	G	A	-0.9786
69	L	A	0.0000
70	K	A	-2.3878
71	P	A	-2.1019
72	G	A	-1.3701
73	V	A	-1.2335
74	D	A	-2.1542
75	Y	A	0.0000
76	T	A	-0.7548
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.1738
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5964
85	Y	A	0.0000
86	P	A	-0.4481
87	R	A	-1.1020
88	Y	A	0.7271
89	G	A	0.8312
90	Y	A	1.2140
91	G	A	0.4224
92	E	A	-0.4593
93	S	A	0.0000
94	G	A	-0.6667
95	P	A	-0.3708
96	V	A	-0.3767
97	S	A	-0.5385
98	V	A	-0.7285
99	N	A	-1.7524
100	Y	A	-1.6541
101	R	A	-2.5944
102	T	A	0.0000
103	E	A	-2.5249
104	L	A	-1.2913
105	D	A	-2.7238
106	K	A	-2.8118
107	P	A	-1.7899
108	S	A	-1.6392
109	Q	A	-1.6616