Project name: Mb5-11_I18L_I104L_LVVGYR_Lib2_Top15

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATVSGLKPGVDYTGTVYAVTWYPRYGYGESGPYSRNYRTELDKPSQ
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: -2.7096
• Maximal score value: 1.4825
• Average score: -0.7237
• Total score value: -78.8876

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	0.3368
2	Q	A	-0.8805
3	A	A	-1.1154
4	N	A	-1.8433
5	S	A	-1.3764
6	G	A	-1.3754
7	S	A	-1.1241
8	L	A	0.0000
9	E	A	-1.0682
10	V	A	-0.3988
11	V	A	0.6839
12	E	A	-1.2514
13	A	A	-1.0728
14	S	A	-1.4790
15	P	A	-1.7307
16	T	A	-1.1477
17	S	A	-1.3457
18	L	A	0.0000
19	Q	A	-0.6994
20	L	A	0.0000
21	S	A	-0.6565
22	W	A	0.0000
23	D	A	-2.0224
24	A	A	-1.3843
25	F	A	0.0000
26	H	A	-1.0143
27	R	A	0.0000
28	Y	A	0.8844
29	H	A	0.1895
30	N	A	-0.5835
31	G	A	0.2263
32	F	A	1.4825
33	T	A	0.7713
34	H	A	0.0609
35	P	A	-0.3848
36	V	A	-0.9961
37	R	A	-1.4477
38	Y	A	-0.9089
39	Y	A	0.0000
40	R	A	-0.8742
41	V	A	0.0000
42	T	A	0.0000
43	Y	A	-0.5246
44	G	A	-0.6957
45	E	A	-1.4818
46	T	A	-1.2205
47	G	A	-1.1824
48	G	A	-1.3400
49	N	A	-1.5384
50	S	A	-0.9294
51	P	A	-0.4196
52	V	A	0.2978
53	Q	A	-1.2086
54	E	A	-1.8111
55	F	A	-0.6732
56	T	A	-0.1892
57	V	A	-0.4223
58	P	A	-0.9500
59	G	A	-1.2297
60	S	A	-1.2105
61	K	A	-1.6303
62	S	A	-1.1438
63	T	A	-0.6720
64	A	A	0.0000
65	T	A	-0.3203
66	V	A	0.0000
67	S	A	-0.7817
68	G	A	-0.9839
69	L	A	0.0000
70	K	A	-2.3977
71	P	A	-1.9585
72	G	A	-1.2441
73	V	A	-1.1761
74	D	A	-2.1446
75	Y	A	0.0000
76	T	A	-1.2528
77	G	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3450
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.4436
85	Y	A	0.0000
86	P	A	-0.4491
87	R	A	-1.1057
88	Y	A	0.7090
89	G	A	0.6860
90	Y	A	1.0607
91	G	A	0.2421
92	E	A	-0.8108
93	S	A	0.0000
94	G	A	-0.6901
95	P	A	-0.6550
96	Y	A	-0.4995
97	S	A	-1.1107
98	R	A	-1.8271
99	N	A	-2.4307
100	Y	A	0.0000
101	R	A	-2.6150
102	T	A	0.0000
103	E	A	-2.1420
104	L	A	-0.9878
105	D	A	-2.5786
106	K	A	-2.7096
107	P	A	-1.7881
108	S	A	-1.6437
109	Q	A	-1.6596