Project name: e88f4397feee93c [mutate: FY66A] [mutate: LQ123A, LS12A, FY30A]

Chain sequence(s)	A: ELQLVESGGGLVQPGGSLRLSCAASRSIFGIYDMGWFRQAPGKEREWVSSVSNGVAYYADSVKGRFTISRDRAKNSVYLQMNSLRAEDTAVYYCRAVAHSTNTYWGQGTLVTVSS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FY30A,LQ123A,LS12A
Energy difference between WT (input) and mutated protein (by FoldX)	1.78809 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 minimalization                                        (00:00:00)
[INFO]       FoldX:    Building mutant model                                                       (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:25)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -3.663
• Maximal score value: 1.5016
• Average score: -0.7096
• Total score value: -81.6024

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	E	A	-2.2305
2	L	A	-1.0346
3	Q	A	-0.5873
4	L	A	0.4846
5	V	A	1.2449
6	E	A	0.1668
7	S	A	-0.5924
8	G	A	-1.3438
9	G	A	-1.1208
11	G	A	-0.7189
12	S	A	-0.4406	mutated: LS12A
13	V	A	-0.2519
14	Q	A	-1.5425
15	P	A	-1.4501
16	G	A	-1.4364
17	G	A	-1.3181
18	S	A	-1.5843
19	L	A	-1.5490
20	R	A	-2.5488
21	L	A	0.0000
22	S	A	-0.5704
23	C	A	0.0000
24	A	A	-0.0062
25	A	A	-0.3204
26	S	A	-1.0054
27	R	A	-1.8982
28	S	A	-1.0898
29	I	A	0.0595
30	Y	A	1.1801	mutated: FY30A
35	G	A	0.6513
36	I	A	0.4515
37	Y	A	0.1128
38	D	A	0.0043
39	M	A	0.0000
40	G	A	0.0000
41	W	A	0.0000
42	F	A	0.1018
43	R	A	0.0000
44	Q	A	-2.2860
45	A	A	-2.0565
46	P	A	-1.4653
47	G	A	-1.8727
48	K	A	-3.4380
49	E	A	-3.6630
50	R	A	-2.6833
51	E	A	-1.9549
52	W	A	-0.4462
53	V	A	0.0000
54	S	A	0.0000
55	S	A	0.7058
56	V	A	0.0000
57	S	A	0.0273
58	N	A	-1.1156
63	G	A	-0.3586
64	V	A	1.2619
65	A	A	1.1249
66	Y	A	1.5016
67	Y	A	-0.1489
68	A	A	0.0000
69	D	A	-2.2957
70	S	A	-1.6962
71	V	A	0.0000
72	K	A	-2.2797
74	G	A	-1.7793
75	R	A	-1.9748
76	F	A	0.0000
77	T	A	-1.0393
78	I	A	0.0000
79	S	A	-0.4349
80	R	A	-1.2836
81	D	A	-1.7185
82	R	A	-2.1659
83	A	A	-1.6054
84	K	A	-2.3966
85	N	A	-1.6458
86	S	A	0.0000
87	V	A	0.0000
88	Y	A	-0.7034
89	L	A	0.0000
90	Q	A	-2.0888
91	M	A	0.0000
92	N	A	-2.4209
93	S	A	-1.5410
94	L	A	0.0000
95	R	A	-2.1266
96	A	A	-1.1710
97	E	A	-1.5891
98	D	A	0.0000
99	T	A	-0.8444
100	A	A	0.0000
101	V	A	-0.4595
102	Y	A	0.0000
103	Y	A	-0.3098
104	C	A	0.0000
105	R	A	0.1386
106	A	A	0.0000
107	V	A	0.0023
108	A	A	0.0000
109	H	A	-0.9922
113	S	A	-0.7701
114	T	A	-0.7926
115	N	A	-0.8645
116	T	A	-0.1663
117	Y	A	0.3494
118	W	A	0.4269
119	G	A	0.0000
120	Q	A	-0.8960
121	G	A	-0.9282
122	T	A	-0.9335
123	Q	A	-1.2019	mutated: LQ123A
124	V	A	0.0000
125	T	A	-0.6568
126	V	A	-0.6448
127	S	A	-0.5722
128	S	A	-0.4800