Project name: Mb5-11_FFLFLL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQFSWDAFHRYHNGFTHPVRYYRFTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTFTVYAVTWYPRYGYGESGPLSLNYRTELDKPSQ
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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.7896
• Maximal score value: 1.4657
• Average score: -0.7726
• Total score value: -84.2114

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	0.3753
2	Q	A	-0.8231
3	A	A	-0.7321
4	N	A	-1.2229
5	S	A	-0.8750
6	G	A	-1.2812
7	S	A	-1.1720
8	L	A	0.0000
9	E	A	-1.8184
10	V	A	-0.4719
11	V	A	0.0800
12	E	A	-1.4546
13	A	A	-1.0576
14	S	A	-1.0277
15	P	A	-1.6672
16	T	A	-1.1649
17	S	A	-1.1335
18	L	A	0.0000
19	Q	A	-1.0476
20	F	A	0.0000
21	S	A	-1.1654
22	W	A	0.0000
23	D	A	-2.4371
24	A	A	-1.5421
25	F	A	0.0000
26	H	A	-1.3561
27	R	A	-0.3828
28	Y	A	0.8059
29	H	A	-0.0613
30	N	A	-0.7386
31	G	A	0.0165
32	F	A	1.4657
33	T	A	0.5945
34	H	A	-0.0847
35	P	A	-0.4685
36	V	A	-1.0509
37	R	A	-1.4262
38	Y	A	-0.8919
39	Y	A	0.0000
40	R	A	-0.9850
41	F	A	0.0000
42	T	A	0.0000
43	Y	A	-0.4343
44	G	A	-0.9113
45	E	A	-1.8656
46	T	A	-1.4994
47	G	A	-1.3991
48	G	A	-1.4934
49	N	A	-1.5505
50	S	A	-0.9316
51	P	A	-0.4133
52	V	A	0.2842
53	Q	A	-1.2464
54	E	A	-1.8801
55	F	A	-0.8207
56	T	A	-0.3346
57	V	A	0.0000
58	P	A	-1.0265
59	G	A	-1.2772
60	S	A	-1.2671
61	K	A	-1.7788
62	S	A	-1.2875
63	T	A	-0.9507
64	A	A	0.0000
65	T	A	-0.4384
66	L	A	0.0000
67	S	A	-0.7910
68	G	A	-0.9960
69	L	A	0.0000
70	K	A	-2.4648
71	P	A	-2.0055
72	G	A	-1.2992
73	V	A	-1.4810
74	D	A	-2.7787
75	Y	A	0.0000
76	T	A	-0.8963
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3661
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5646
85	Y	A	0.0000
86	P	A	-0.4501
87	R	A	-1.1012
88	Y	A	0.7250
89	G	A	0.7369
90	Y	A	1.1408
91	G	A	0.3370
92	E	A	-0.7190
93	S	A	-0.8839
94	G	A	-0.8076
95	P	A	-0.6317
96	L	A	-0.5975
97	S	A	-0.5687
98	L	A	-0.7697
99	N	A	-1.8168
100	Y	A	-1.5247
101	R	A	-2.2221
102	T	A	0.0000
103	E	A	-2.0296
104	L	A	-1.1732
105	D	A	-2.7042
106	K	A	-2.7896
107	P	A	-1.8208
108	S	A	-1.6397
109	Q	A	-1.6623