Project name: Mb5-11_I18L_I104L_LLLFLF_Lib2_Lib3_overlap

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRLTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTFTVYAVTWYPRYGYGESGPLSFNYRTELDKPSQ
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                                          (00:01:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -2.8459
• Maximal score value: 1.5043
• Average score: -0.7562
• Total score value: -82.4206

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	0.3878
2	Q	A	-0.9538
3	A	A	-1.1293
4	N	A	-1.8752
5	S	A	-1.3744
6	G	A	0.0000
7	S	A	-1.1960
8	L	A	0.0000
9	E	A	-1.7126
10	V	A	-0.5976
11	V	A	0.1708
12	E	A	-1.4386
13	A	A	-1.1580
14	S	A	-1.3036
15	P	A	-1.8667
16	T	A	-1.2257
17	S	A	-1.1822
18	L	A	0.0000
19	Q	A	-1.0907
20	L	A	0.0000
21	S	A	-1.0618
22	W	A	0.0000
23	D	A	-2.1739
24	A	A	-1.4465
25	F	A	0.0000
26	H	A	-1.0925
27	R	A	0.0000
28	Y	A	0.9394
29	H	A	0.2878
30	N	A	-0.5791
31	G	A	0.1237
32	F	A	1.5043
33	T	A	0.7554
34	H	A	0.0308
35	P	A	-0.4321
36	V	A	-1.0211
37	R	A	-1.5519
38	Y	A	-0.8607
39	Y	A	0.0000
40	R	A	-0.8048
41	L	A	0.0000
42	T	A	-0.6777
43	Y	A	-0.3813
44	G	A	-0.7768
45	E	A	-1.6904
46	T	A	-1.3896
47	G	A	-1.2831
48	G	A	-1.3869
49	N	A	-1.5287
50	S	A	-0.9089
51	P	A	-0.4206
52	V	A	0.2789
53	Q	A	-1.2194
54	E	A	-1.8161
55	F	A	-0.7101
56	T	A	-0.1755
57	V	A	-0.4292
58	P	A	-0.9640
59	G	A	-1.2570
60	S	A	-1.2754
61	K	A	-1.9509
62	S	A	-1.1998
63	T	A	-0.8821
64	A	A	0.0000
65	T	A	-0.4554
66	L	A	0.0000
67	S	A	-0.8101
68	G	A	-1.0017
69	L	A	0.0000
70	K	A	-2.5413
71	P	A	-2.1648
72	G	A	-1.4877
73	V	A	-1.5767
74	D	A	-2.6830
75	Y	A	0.0000
76	T	A	-0.8653
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2933
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5256
85	Y	A	0.0000
86	P	A	-0.4542
87	R	A	-1.1021
88	Y	A	0.7183
89	G	A	0.7144
90	Y	A	1.1082
91	G	A	0.4782
92	E	A	-0.7205
93	S	A	0.0000
94	G	A	-0.7992
95	P	A	-0.4506
96	L	A	0.0044
97	S	A	-0.3720
98	F	A	-0.3993
99	N	A	-1.7553
100	Y	A	-1.7410
101	R	A	-2.8115
102	T	A	0.0000
103	E	A	-2.2722
104	L	A	-1.4432
105	D	A	-2.8007
106	K	A	-2.8459
107	P	A	-1.8434
108	S	A	-1.6436
109	Q	A	-1.6623