Project name: 69c9727f695a1c7 [mutate: VR5A] [mutate: LK11A] [mutate: YH38A] [mutate: HR38A] [mutate: YK80A, VK93A, SK21A, WK95A]

Chain sequence(s)	A: DVQLRESGGGKVQAGGSLRLSCTVSTSRFSGVGRMAWRRQAPGKQREKVAEITRAGSRTYADAVKGRFTISRDNAKNTVYLQMDRLKPEDTAVYWCVRARWQSGTPRTPGTQVTVSS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No
Mutated residues	WK95A,SK21A,YK80A,VK93A
Energy difference between WT (input) and mutated protein (by FoldX)	5.21666 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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 minimization                                          (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:41)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:02:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:20)

• Minimal score value: -3.0286
• Maximal score value: 0.0
• Average score: -1.3337
• Total score value: -156.0452

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	D	A	-1.9043
2	V	A	-1.6458
3	Q	A	-2.0144
4	L	A	-1.9688
5	R	A	-2.3686
6	E	A	0.0000
7	S	A	-1.4079
8	G	A	-1.4610
9	G	A	-1.7210
10	G	A	-1.6759
11	K	A	-2.2962
12	V	A	0.0000
13	Q	A	-2.1165
14	A	A	-2.0937
15	G	A	-1.8658
16	G	A	-1.7156
17	S	A	-1.7494
18	L	A	-1.7912
19	R	A	-2.4316
20	L	A	0.0000
21	K	A	-1.8025	mutated: SK21A
22	C	A	0.0000
23	T	A	-1.4800
24	V	A	0.0000
25	S	A	-1.3565
26	T	A	-1.3028
27	S	A	-1.2283
28	R	A	-2.2670
29	F	A	0.0000
30	S	A	-1.7149
31	G	A	-1.7599
32	V	A	0.0000
33	G	A	-2.0769
34	R	A	-2.6936
35	M	A	0.0000
36	A	A	0.0000
37	W	A	0.0000
38	R	A	-1.2614
39	R	A	0.0000
40	Q	A	-2.5556
41	A	A	-2.1917
42	P	A	-1.5465
43	G	A	-1.8390
44	K	A	-3.0286
45	Q	A	-2.8631
46	R	A	-2.6668
47	E	A	-2.3436
48	K	A	-1.3841
49	V	A	0.0000
50	A	A	0.0000
51	E	A	0.0000
52	I	A	0.0000
53	T	A	-2.1633
54	R	A	-2.7961
55	A	A	-1.4763
56	G	A	-1.6564
57	S	A	-1.5790
58	R	A	-1.9993
59	T	A	-1.2565
60	Y	A	-1.2862
61	A	A	-1.5610
62	D	A	-2.4024
63	A	A	-1.5973
64	V	A	0.0000
65	K	A	-2.5789
66	G	A	-2.0018
67	R	A	-2.0869
68	F	A	0.0000
69	T	A	-1.2042
70	I	A	0.0000
71	S	A	-1.1430
72	R	A	-1.8810
73	D	A	-1.8171
74	N	A	-2.3519
75	A	A	-1.4984
76	K	A	-2.2807
77	N	A	-1.9576
78	T	A	0.0000
79	V	A	0.0000
80	K	A	-1.6469	mutated: YK80A
81	L	A	0.0000
82	Q	A	-1.5507
83	M	A	0.0000
84	D	A	-2.5076
85	R	A	-2.9283
86	L	A	0.0000
87	K	A	-2.7148
88	P	A	-1.8491
89	E	A	-2.3017
90	D	A	0.0000
91	T	A	-1.6237
92	A	A	0.0000
93	K	A	-1.8314	mutated: VK93A
94	Y	A	0.0000
95	K	A	0.0000	mutated: WK95A
96	C	A	0.0000
97	V	A	0.0000
98	R	A	-2.2527
99	A	A	0.0000
100	R	A	-2.6456
101	W	A	-1.5995
102	Q	A	-1.8279
103	S	A	-1.0231
104	G	A	-0.8252
105	T	A	-0.8757
106	P	A	-1.0868
107	R	A	-2.2587
108	T	A	0.0000
109	P	A	-1.2371
110	G	A	-1.4384
111	T	A	-1.4634
112	Q	A	-2.1214
113	V	A	0.0000
114	T	A	-1.7895
115	V	A	0.0000
116	S	A	-1.4386
117	S	A	-1.0416