Project name: Mb5-11_FVLVVL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQFSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTVTVYAVTWYPRYGYGESGPVSLNYRTELDKPSQ
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -2.698
• Maximal score value: 1.4626
• Average score: -0.7129
• Total score value: -77.7084

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	0.2381
2	Q	A	-1.0046
3	A	A	0.0000
4	N	A	-1.9604
5	S	A	-1.5788
6	G	A	0.0000
7	S	A	-1.3746
8	L	A	0.0000
9	E	A	-1.8962
10	V	A	-0.5570
11	V	A	0.0308
12	E	A	-1.4102
13	A	A	-1.1570
14	S	A	-1.4163
15	P	A	-1.6762
16	T	A	-1.1212
17	S	A	-1.1147
18	L	A	0.0000
19	Q	A	-0.8018
20	F	A	0.0000
21	S	A	-1.0973
22	W	A	0.0000
23	D	A	-2.5456
24	A	A	-1.5809
25	F	A	0.0000
26	H	A	-1.2618
27	R	A	0.0000
28	Y	A	0.8317
29	H	A	0.1904
30	N	A	-0.5907
31	G	A	0.1251
32	F	A	1.4626
33	T	A	0.6874
34	H	A	0.0838
35	P	A	-0.3649
36	V	A	-0.9282
37	R	A	-1.3828
38	Y	A	-0.8894
39	Y	A	0.0000
40	R	A	-0.8312
41	V	A	0.0000
42	T	A	-0.6531
43	Y	A	-0.4321
44	G	A	-0.7894
45	E	A	-1.6375
46	T	A	-1.2483
47	G	A	-1.2413
48	G	A	-1.4075
49	N	A	-1.5732
50	S	A	-0.9826
51	P	A	-0.4515
52	V	A	0.2543
53	Q	A	-1.2458
54	E	A	-1.8153
55	F	A	-0.7273
56	T	A	-0.2854
57	V	A	0.0000
58	P	A	-1.0167
59	G	A	-1.2228
60	S	A	-1.1439
61	K	A	-1.5161
62	S	A	-1.1663
63	T	A	-0.7807
64	A	A	0.0000
65	T	A	-0.3294
66	L	A	0.0000
67	S	A	-0.7624
68	G	A	-0.9834
69	L	A	0.0000
70	K	A	-2.3512
71	P	A	-1.8237
72	G	A	-1.0633
73	V	A	-1.0611
74	D	A	-2.0654
75	Y	A	0.0000
76	T	A	-0.7636
77	V	A	0.0000
78	T	A	-0.4905
79	V	A	0.0000
80	Y	A	-0.3404
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.7545
85	Y	A	0.0000
86	P	A	-0.4265
87	R	A	-1.1045
88	Y	A	0.6873
89	G	A	0.6549
90	Y	A	0.9913
91	G	A	0.4379
92	E	A	-0.4957
93	S	A	0.0000
94	G	A	-0.9532
95	P	A	-0.6025
96	V	A	0.0000
97	S	A	-0.5878
98	L	A	-0.5474
99	N	A	-1.6225
100	Y	A	-1.3915
101	R	A	-2.3743
102	T	A	0.0000
103	E	A	-1.8412
104	L	A	-0.9404
105	D	A	-2.5397
106	K	A	-2.6980
107	P	A	-1.7926
108	S	A	-1.6431
109	Q	A	-1.6646