Project name: Mb5-11_I18L_I104L_LLLVVF_Lib2_Lib3_overlap

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRLTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTVTVYAVTWYPRYGYGESGPVSFNYRTELDKPSQ
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -2.6984
• Maximal score value: 1.4783
• Average score: -0.6932
• Total score value: -75.559

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	0.2127
2	Q	A	-1.0548
3	A	A	0.0000
4	N	A	-1.9747
5	S	A	-1.5693
6	G	A	0.0000
7	S	A	-1.2849
8	L	A	0.0000
9	E	A	-1.7253
10	V	A	-0.6639
11	V	A	0.3601
12	E	A	-1.4060
13	A	A	-1.0523
14	S	A	-1.4680
15	P	A	-1.6799
16	T	A	-1.1075
17	S	A	-1.3439
18	L	A	0.0000
19	Q	A	-0.8982
20	L	A	0.0000
21	S	A	-1.0704
22	W	A	0.0000
23	D	A	-2.4189
24	A	A	-1.5445
25	F	A	0.0000
26	H	A	-1.2214
27	R	A	0.0000
28	Y	A	0.9133
29	H	A	0.2398
30	N	A	-0.5937
31	G	A	0.1290
32	F	A	1.4783
33	T	A	0.7054
34	H	A	0.0259
35	P	A	-0.4367
36	V	A	-1.0476
37	R	A	-1.5803
38	Y	A	-0.9258
39	Y	A	0.0000
40	R	A	-0.8629
41	L	A	0.0000
42	T	A	-0.6749
43	Y	A	-0.2516
44	G	A	-0.5822
45	E	A	-1.2948
46	T	A	-0.9757
47	G	A	-1.1271
48	G	A	-1.2525
49	N	A	-1.4652
50	S	A	-0.7984
51	P	A	-0.3555
52	V	A	0.3279
53	Q	A	-1.1943
54	E	A	-1.8259
55	F	A	-0.7205
56	T	A	-0.2094
57	V	A	-0.4368
58	P	A	-0.9652
59	G	A	-1.2548
60	S	A	-1.2197
61	K	A	-1.8497
62	S	A	-1.2036
63	T	A	-0.8436
64	A	A	0.0000
65	T	A	-0.3648
66	L	A	0.0000
67	S	A	-0.7738
68	G	A	-0.9645
69	L	A	0.0000
70	K	A	-2.2310
71	P	A	-1.8558
72	G	A	-1.1295
73	V	A	-1.0113
74	D	A	-2.0010
75	Y	A	0.0000
76	T	A	-0.4926
77	V	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.4408
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5641
85	Y	A	0.0000
86	P	A	-0.4430
87	R	A	-1.1040
88	Y	A	0.7092
89	G	A	0.6819
90	Y	A	1.0035
91	G	A	0.3252
92	E	A	-0.7391
93	S	A	0.0000
94	G	A	-1.0694
95	P	A	-0.5876
96	V	A	0.0000
97	S	A	-0.1316
98	F	A	0.2498
99	N	A	-1.3549
100	Y	A	-1.5601
101	R	A	-2.4719
102	T	A	0.0000
103	E	A	-2.0434
104	L	A	-0.9439
105	D	A	-2.5503
106	K	A	-2.6984
107	P	A	-1.7901
108	S	A	-1.6392
109	Q	A	-1.6608