Project name: Mb5-11_I18L_I104L_VVFFLF_Lib2_Lib3_overlap

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQVSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTFTVYAVTWYPRYGYGESGPLSFNYRTELDKPSQ
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.                                          (00:01:02)

• Minimal score value: -2.8127
• Maximal score value: 1.4907
• Average score: -0.7254
• Total score value: -79.0678

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	0.4732
2	Q	A	-0.8055
3	A	A	-0.8160
4	N	A	-1.4303
5	S	A	-0.9695
6	G	A	-1.2187
7	S	A	-1.0755
8	L	A	-1.0176
9	E	A	-1.6998
10	V	A	-0.3168
11	V	A	0.1879
12	E	A	-1.3290
13	A	A	-0.9956
14	S	A	-1.1976
15	P	A	-1.8707
16	T	A	-1.2243
17	S	A	-1.1000
18	L	A	0.0000
19	Q	A	-0.7244
20	V	A	0.0000
21	S	A	-1.0487
22	W	A	0.0000
23	D	A	-2.4411
24	A	A	-1.4624
25	F	A	0.0000
26	H	A	-1.0263
27	R	A	0.0000
28	Y	A	1.0992
29	H	A	0.2711
30	N	A	-0.5934
31	G	A	0.1264
32	F	A	1.4907
33	T	A	0.7239
34	H	A	0.0725
35	P	A	-0.4017
36	V	A	-0.9713
37	R	A	-1.4920
38	Y	A	-0.8516
39	Y	A	0.0000
40	R	A	-0.8509
41	V	A	0.0000
42	T	A	0.0000
43	Y	A	-0.4013
44	G	A	-0.7474
45	E	A	-1.6394
46	T	A	-1.2703
47	G	A	-1.2477
48	G	A	-1.4121
49	N	A	-1.5568
50	S	A	-0.9554
51	P	A	-0.4340
52	V	A	0.2620
53	Q	A	-1.2264
54	E	A	-1.8026
55	F	A	-0.6732
56	T	A	-0.2068
57	V	A	-0.3760
58	P	A	-0.9171
59	G	A	-1.1738
60	S	A	-1.0933
61	K	A	-1.5976
62	S	A	-1.1020
63	T	A	-0.7160
64	A	A	0.0000
65	T	A	-0.2813
66	F	A	0.0000
67	S	A	-0.7624
68	G	A	-1.0082
69	L	A	0.0000
70	K	A	-2.5125
71	P	A	-2.1500
72	G	A	-1.5646
73	V	A	-1.3378
74	D	A	-2.2406
75	Y	A	0.0000
76	T	A	-0.8202
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2866
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6331
85	Y	A	0.0000
86	P	A	-0.4586
87	R	A	-1.1209
88	Y	A	0.6603
89	G	A	0.5991
90	Y	A	0.8947
91	G	A	0.2443
92	E	A	-0.6851
93	S	A	0.0000
94	G	A	-0.6367
95	P	A	-0.4315
96	L	A	-0.1216
97	S	A	-0.2588
98	F	A	-0.5145
99	N	A	-1.5877
100	Y	A	-1.4551
101	R	A	-2.6442
102	T	A	0.0000
103	E	A	-2.2961
104	L	A	-1.4234
105	D	A	-2.7964
106	K	A	-2.8127
107	P	A	-1.8234
108	S	A	-1.6360
109	Q	A	-1.6594