Project name: WT_MCSG4_A9_refine14

Chain sequence(s)	A: CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSSTTAVVTNP
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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -3.2036
• Maximal score value: 1.8158
• Average score: -0.6299
• Total score value: -72.4366

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
10	C	A	-0.2822
11	P	A	0.0000
12	L	A	0.0000
13	M	A	-0.3822
14	V	A	0.0000
15	K	A	-0.5293
16	V	A	0.0000
17	L	A	0.6382
18	D	A	0.0000
19	A	A	0.4277
20	V	A	0.7078
21	R	A	-1.0906
22	G	A	-0.7298
23	S	A	-0.4754
24	P	A	-0.5402
25	A	A	0.0000
26	I	A	-0.4420
27	N	A	-1.7139
28	V	A	0.0000
29	A	A	-1.1073
30	V	A	0.0000
31	H	A	-0.9946
32	V	A	0.0000
33	F	A	-0.5034
34	R	A	-0.9304
35	K	A	-1.5678
36	A	A	-1.7210
37	A	A	-1.6850
38	D	A	-2.8425
39	D	A	-2.8897
40	T	A	-1.9091
41	W	A	-1.2757
42	E	A	-2.2509
43	P	A	-1.0553
44	F	A	-0.5851
45	A	A	-0.3712
46	S	A	-0.8810
47	G	A	-1.5088
48	K	A	-2.4429
49	T	A	0.0000
50	S	A	-1.7782
51	E	A	-2.0662
52	S	A	-1.1580
53	G	A	0.0000
54	E	A	-1.4522
55	L	A	0.0000
56	H	A	-1.3751
57	G	A	-0.7539
58	L	A	0.0000
59	T	A	0.0000
60	T	A	-1.7983
61	E	A	-3.1209
62	E	A	-3.2036
63	E	A	-2.7114
64	F	A	0.0000
65	V	A	-1.5376
66	E	A	-2.1863
67	G	A	-0.9250
68	I	A	0.1709
69	Y	A	0.0000
70	K	A	-0.1982
71	V	A	0.0000
72	E	A	-1.1975
73	I	A	0.0000
75	T	A	-1.3512
76	K	A	-2.2492
77	S	A	-1.7104
78	Y	A	0.0000
79	W	A	0.0000
80	K	A	-1.8947
81	A	A	-0.7202
82	L	A	0.0571
83	G	A	-0.4798
84	I	A	-0.1490
85	S	A	-0.1953
86	P	A	0.0358
87	F	A	1.4607
88	H	A	-0.5854
89	E	A	-2.3494
90	H	A	-1.7984
91	A	A	0.0000
92	E	A	-1.3939
93	V	A	-0.0338
94	V	A	0.9356
95	F	A	0.8273
96	T	A	-0.2603
97	A	A	0.0000
98	N	A	-1.9196
99	D	A	-2.4788
100	S	A	-1.5655
101	G	A	-1.4205
102	P	A	-2.1844
103	R	A	-1.7065
104	R	A	-1.3679
105	Y	A	0.0000
106	T	A	0.4654
107	I	A	0.0000
108	A	A	0.1795
109	A	A	0.0000
110	L	A	0.9227
111	L	A	0.0000
112	S	A	0.9805
113	P	A	0.9681
114	Y	A	1.8158
115	S	A	0.9195
116	Y	A	0.5996
117	S	A	0.1156
118	T	A	-0.0422
119	T	A	0.4568
120	A	A	0.9435
121	V	A	1.7335
122	V	A	1.2999
123	T	A	-0.2720
124	N	A	-1.6591
125	P	A	-1.1409