Project name: Mb5-11_I18L_I104L_VVLLLF_Lib3_Top2

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQVSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTLTVYAVTWYPRYGYGESGPLSFNYRTELDKPSQ
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                                          (00:00:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -2.7645
• Maximal score value: 1.5253
• Average score: -0.7239
• Total score value: -78.9056

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	0.3993
2	Q	A	-0.9815
3	A	A	-1.1275
4	N	A	-1.9266
5	S	A	-1.2723
6	G	A	0.0000
7	S	A	-1.2307
8	L	A	0.0000
9	E	A	-1.9088
10	V	A	-0.7279
11	V	A	-0.3000
12	E	A	-1.5857
13	A	A	-1.2531
14	S	A	-1.4863
15	P	A	-1.8489
16	T	A	-1.2065
17	S	A	-1.1599
18	L	A	0.0000
19	Q	A	-0.9496
20	V	A	0.0000
21	S	A	-1.2016
22	W	A	0.0000
23	D	A	-2.3530
24	A	A	-1.5489
25	F	A	0.0000
26	H	A	-1.1450
27	R	A	0.0000
28	Y	A	0.9756
29	H	A	0.3138
30	N	A	-0.5672
31	G	A	0.1405
32	F	A	1.5253
33	T	A	0.7858
34	H	A	0.0894
35	P	A	-0.4238
36	V	A	-1.0217
37	R	A	-1.5730
38	Y	A	-0.8707
39	Y	A	0.0000
40	R	A	-0.8048
41	V	A	0.0000
42	T	A	-0.6391
43	Y	A	-0.3393
44	G	A	-0.6334
45	E	A	-1.3781
46	T	A	-1.1190
47	G	A	-1.1580
48	G	A	-1.3015
49	N	A	-1.5142
50	S	A	-0.9004
51	P	A	-0.4083
52	V	A	0.2922
53	Q	A	-1.2019
54	E	A	-1.8075
55	F	A	-0.6805
56	T	A	-0.1630
57	V	A	-0.4624
58	P	A	-1.0088
59	G	A	-1.3015
60	S	A	-1.3374
61	K	A	-2.0895
62	S	A	-1.2904
63	T	A	-0.9365
64	A	A	0.0000
65	T	A	-0.3668
66	L	A	0.0000
67	S	A	-0.7699
68	G	A	-0.9950
69	L	A	0.0000
70	K	A	-2.4147
71	P	A	-2.0042
72	G	A	-1.2758
73	V	A	-1.1623
74	D	A	-2.0516
75	Y	A	0.0000
76	T	A	-0.6178
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2304
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5370
85	Y	A	0.0000
86	P	A	-0.3646
87	R	A	-1.0716
88	Y	A	0.7064
89	G	A	0.6741
90	Y	A	1.1095
91	G	A	0.3469
92	E	A	-0.5771
93	S	A	0.0000
94	G	A	-0.7048
95	P	A	-0.3513
96	L	A	0.0783
97	S	A	-0.2487
98	F	A	-0.1675
99	N	A	-1.4859
100	Y	A	-1.4635
101	R	A	-2.5056
102	T	A	0.0000
103	E	A	-2.2467
104	L	A	-1.1510
105	D	A	-2.6534
106	K	A	-2.7645
107	P	A	-1.7859
108	S	A	-1.6421
109	Q	A	-1.6613