Project name: Mb5-11_VIFFLF

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQVSWDAFHRYHNGFTHPVRYYRITYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTFTVYAVTWYPRYGYGESGPLSFNYRTELDKPSQ
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.                                          (00:01:04)

• Minimal score value: -2.8345
• Maximal score value: 1.4876
• Average score: -0.7468
• Total score value: -81.4051

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	0.4081
2	Q	A	-0.9481
3	A	A	-1.0814
4	N	A	-1.8149
5	S	A	-1.2428
6	G	A	-1.5477
7	S	A	-1.2452
8	L	A	0.0000
9	E	A	-1.7763
10	V	A	-0.3475
11	V	A	0.2118
12	E	A	-1.3082
13	A	A	-0.9878
14	S	A	-1.2662
15	P	A	-1.8407
16	T	A	-1.2339
17	S	A	-1.1410
18	L	A	0.0000
19	Q	A	-0.7167
20	V	A	0.0000
21	S	A	-1.1146
22	W	A	0.0000
23	D	A	-2.5671
24	A	A	-1.5581
25	F	A	0.0000
26	H	A	-1.1491
27	R	A	0.0000
28	Y	A	0.9736
29	H	A	0.2677
30	N	A	-0.5960
31	G	A	0.1207
32	F	A	1.4876
33	T	A	0.7214
34	H	A	0.0089
35	P	A	-0.4633
36	V	A	-1.0223
37	R	A	-1.5570
38	Y	A	-0.8457
39	Y	A	0.0000
40	R	A	-0.8406
41	I	A	0.0000
42	T	A	-0.6153
43	Y	A	-0.3609
44	G	A	0.0000
45	E	A	-1.7690
46	T	A	-1.4337
47	G	A	-1.3540
48	G	A	-1.4406
49	N	A	-1.5389
50	S	A	-0.9312
51	P	A	-0.4131
52	V	A	0.3003
53	Q	A	-1.1781
54	E	A	-1.7829
55	F	A	-0.6694
56	T	A	-0.1730
57	V	A	-0.3637
58	P	A	-0.8920
59	G	A	-1.1805
60	S	A	-1.1437
61	K	A	-1.7289
62	S	A	-1.1746
63	T	A	-0.7710
64	A	A	0.0000
65	T	A	-0.3052
66	F	A	0.0000
67	S	A	-0.7607
68	G	A	-1.0055
69	L	A	0.0000
70	K	A	-2.5218
71	P	A	-2.1144
72	G	A	-1.4227
73	V	A	-1.4935
74	D	A	-2.7593
75	Y	A	0.0000
76	T	A	-0.8565
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2957
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.4826
85	Y	A	0.0000
86	P	A	-0.4654
87	R	A	-1.1066
88	Y	A	0.7067
89	G	A	0.7056
90	Y	A	1.0964
91	G	A	0.3032
92	E	A	-0.6917
93	S	A	0.0000
94	G	A	-0.7499
95	P	A	-0.4532
96	L	A	-0.2040
97	S	A	-0.2829
98	F	A	-0.5493
99	N	A	-1.6449
100	Y	A	-1.4308
101	R	A	-2.3957
102	T	A	0.0000
103	E	A	-2.5077
104	L	A	-1.3324
105	D	A	-2.7878
106	K	A	-2.8345
107	P	A	-1.8064
108	S	A	-1.6351
109	Q	A	-1.6594