Project name: Mb5-11_IVFFVF

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQISWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTFTVYAVTWYPRYGYGESGPVSFNYRTELDKPSQ
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                                          (00:01:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:15)

• Minimal score value: -2.7915
• Maximal score value: 1.482
• Average score: -0.6933
• Total score value: -75.5684

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	0.2430
2	Q	A	-1.0494
3	A	A	0.0000
4	N	A	-1.9808
5	S	A	-1.3875
6	G	A	0.0000
7	S	A	-1.1893
8	L	A	0.0000
9	E	A	-1.7732
10	V	A	-0.3979
11	V	A	0.0645
12	E	A	-1.3788
13	A	A	-1.1012
14	S	A	-1.2591
15	P	A	-1.9411
16	T	A	-1.2544
17	S	A	-1.1507
18	L	A	0.0000
19	Q	A	-0.7331
20	I	A	0.0000
21	S	A	-1.0808
22	W	A	0.0000
23	D	A	-2.5313
24	A	A	-1.5076
25	F	A	0.0000
26	H	A	-1.2249
27	R	A	0.0000
28	Y	A	0.9216
29	H	A	0.2273
30	N	A	-0.5964
31	G	A	0.1359
32	F	A	1.4820
33	T	A	0.6987
34	H	A	0.0836
35	P	A	-0.3524
36	V	A	-0.8235
37	R	A	-1.2914
38	Y	A	-0.7251
39	Y	A	0.0000
40	R	A	-0.7960
41	V	A	0.0000
42	T	A	-0.6148
43	Y	A	-0.3437
44	G	A	0.0000
45	E	A	-1.5912
46	T	A	-1.2374
47	G	A	-1.2190
48	G	A	-1.3204
49	N	A	-1.5278
50	S	A	-0.9130
51	P	A	-0.4051
52	V	A	0.2951
53	Q	A	-1.1886
54	E	A	-1.7403
55	F	A	-0.5893
56	T	A	-0.2091
57	V	A	0.0000
58	P	A	-0.8767
59	G	A	-1.0466
60	S	A	-0.9579
61	K	A	-1.3648
62	S	A	-1.0124
63	T	A	-0.6867
64	A	A	0.0000
65	T	A	-0.3466
66	F	A	0.0000
67	S	A	-0.7589
68	G	A	-1.0118
69	L	A	0.0000
70	K	A	-2.4979
71	P	A	-2.1164
72	G	A	-1.4760
73	V	A	-1.3584
74	D	A	-2.2467
75	Y	A	0.0000
76	T	A	-0.7349
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2673
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.7736
85	Y	A	0.0000
86	P	A	-0.4171
87	R	A	-1.0890
88	Y	A	0.7271
89	G	A	0.7420
90	Y	A	1.2186
91	G	A	0.5309
92	E	A	-0.4756
93	S	A	0.0000
94	G	A	-0.8613
95	P	A	-0.4770
96	V	A	-0.2032
97	S	A	-0.2576
98	F	A	-0.3967
99	N	A	-1.5628
100	Y	A	-1.5674
101	R	A	-2.7316
102	T	A	0.0000
103	E	A	-2.5731
104	L	A	-1.3096
105	D	A	-2.7403
106	K	A	-2.7915
107	P	A	-1.7817
108	S	A	-1.6323
109	Q	A	-1.6589