Project name: Mb5-11_E45C_V73C_mMb5-11C

Chain sequence(s)	A: MQANSGSLEVVEASPTSIQISWDAFHRYHNGFTHPVRYYRITYGCTGGNSPVQEFTVPGSKSTATISGLKPGCDYTITVYAVTWYPRYGYGESGPISINYRTEIDKPSQ
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -2.6581
• Maximal score value: 1.4822
• Average score: -0.7042
• Total score value: -76.7628

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	0.3726
2	Q	A	-0.9900
3	A	A	-1.2009
4	N	A	-1.9589
5	S	A	-1.4395
6	G	A	0.0000
7	S	A	-1.2895
8	L	A	0.0000
9	E	A	-1.9014
10	V	A	-0.6914
11	V	A	0.0808
12	E	A	-1.4505
13	A	A	-1.2785
14	S	A	-1.4894
15	P	A	-1.8167
16	T	A	-1.1447
17	S	A	-1.1801
18	I	A	0.0000
19	Q	A	-1.0113
20	I	A	0.0000
21	S	A	-1.1067
22	W	A	0.0000
23	D	A	-2.3015
24	A	A	-1.4684
25	F	A	0.0000
26	H	A	-1.2270
27	R	A	0.0000
28	Y	A	0.9036
29	H	A	0.2382
30	N	A	-0.5874
31	G	A	0.1126
32	F	A	1.4822
33	T	A	0.7365
34	H	A	0.0446
35	P	A	-0.4164
36	V	A	-0.9566
37	R	A	-1.4701
38	Y	A	-0.9234
39	Y	A	0.0000
40	R	A	-1.1583
41	I	A	0.0000
42	T	A	-0.7558
43	Y	A	-0.3101
44	G	A	-0.4171
45	C	A	0.0000
46	T	A	-0.9128
47	G	A	-1.0520
48	G	A	-1.1469
49	N	A	-1.4314
50	S	A	-0.7599
51	P	A	-0.3064
52	V	A	0.4337
53	Q	A	-1.1629
54	E	A	-1.9008
55	F	A	-0.8033
56	T	A	-0.3864
57	V	A	0.0000
58	P	A	-1.0260
59	G	A	-1.2377
60	S	A	-1.1283
61	K	A	-1.4629
62	S	A	-1.1462
63	T	A	-0.8092
64	A	A	0.0000
65	T	A	-0.4174
66	I	A	0.0000
67	S	A	-0.7570
68	G	A	-0.9328
69	L	A	0.0000
70	K	A	-2.1672
71	P	A	-1.9174
72	G	A	-1.3767
73	C	A	-1.3959
74	D	A	-2.1242
75	Y	A	0.0000
76	T	A	-0.5177
77	I	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3279
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5669
85	Y	A	0.0000
86	P	A	-0.4478
87	R	A	-1.1032
88	Y	A	0.7244
89	G	A	0.7349
90	Y	A	1.1440
91	G	A	0.3531
92	E	A	-0.6608
93	S	A	0.0000
94	G	A	-0.8741
95	P	A	-0.5254
96	I	A	-0.2506
97	S	A	-0.5044
98	I	A	-0.6076
99	N	A	-1.6485
100	Y	A	-1.5619
101	R	A	-2.5640
102	T	A	0.0000
103	E	A	-2.3527
104	I	A	-0.8590
105	D	A	-2.5042
106	K	A	-2.6581
107	P	A	-1.7411
108	S	A	-1.6235
109	Q	A	-1.6551