Project name: Mb5-11_I18L_E45C_V73C_I104L_mMb5-11C_Leu

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQISWDAFHRYHNGFTHPVRYYRITYGCTGGNSPVQEFTVPGSKSTATISGLKPGCDYTITVYAVTWYPRYGYGESGPISINYRTELDKPSQ
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -2.8015
• Maximal score value: 1.5153
• Average score: -0.6902
• Total score value: -75.2279

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	0.4897
2	Q	A	-0.7532
3	A	A	-0.7878
4	N	A	-1.1108
5	S	A	-1.0080
6	G	A	0.0000
7	S	A	-1.1483
8	L	A	0.0000
9	E	A	-1.9755
10	V	A	-0.8795
11	V	A	-0.2641
12	E	A	-1.6426
13	A	A	-1.3706
14	S	A	-1.5700
15	P	A	-1.9375
16	T	A	-1.1866
17	S	A	-1.2154
18	L	A	0.0000
19	Q	A	-1.2221
20	I	A	0.0000
21	S	A	-1.1781
22	W	A	0.0000
23	D	A	-2.0507
24	A	A	-1.2703
25	F	A	0.0000
26	H	A	-0.9491
27	R	A	0.0000
28	Y	A	1.0612
29	H	A	0.3139
30	N	A	-0.5521
31	G	A	0.1403
32	F	A	1.5153
33	T	A	0.7771
34	H	A	0.0780
35	P	A	-0.4020
36	V	A	-0.9968
37	R	A	-1.4406
38	Y	A	-0.8678
39	Y	A	0.0000
40	R	A	-0.9016
41	I	A	0.0000
42	T	A	0.0000
43	Y	A	-0.3000
44	G	A	-0.4003
45	C	A	0.0000
46	T	A	-0.8867
47	G	A	-1.0318
48	G	A	-1.1224
49	N	A	-1.4239
50	S	A	-0.7538
51	P	A	-0.3025
52	V	A	0.4386
53	Q	A	-1.1570
54	E	A	-1.8381
55	F	A	-0.6970
56	T	A	-0.2037
57	V	A	-0.3689
58	P	A	-0.8935
59	G	A	-1.1543
60	S	A	-1.0758
61	K	A	-1.3509
62	S	A	-1.0608
63	T	A	-0.8199
64	A	A	0.0000
65	T	A	-0.5046
66	I	A	0.0000
67	S	A	-0.7749
68	G	A	-0.9293
69	L	A	0.0000
70	K	A	-2.1592
71	P	A	-2.0029
72	G	A	-1.3840
73	C	A	-1.3652
74	D	A	-2.0243
75	Y	A	0.0000
76	T	A	-0.4799
77	I	A	0.0000
78	T	A	-0.4301
79	V	A	0.0000
80	Y	A	-0.3705
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.4763
85	Y	A	0.0000
86	P	A	-0.4586
87	R	A	-1.1095
88	Y	A	0.7164
89	G	A	0.6868
90	Y	A	1.0513
91	G	A	0.1845
92	E	A	-0.9616
93	S	A	0.0000
94	G	A	-0.7951
95	P	A	-0.5271
96	I	A	-0.2797
97	S	A	-0.4646
98	I	A	-0.5637
99	N	A	-1.6167
100	Y	A	-1.5480
101	R	A	-2.5466
102	T	A	0.0000
103	E	A	-2.5160
104	L	A	-1.2592
105	D	A	-2.6813
106	K	A	-2.8015
107	P	A	-1.7839
108	S	A	-1.6358
109	Q	A	-1.6611