Project name: e88f4397feee93c [mutate: FY66A]

Chain sequence(s)	A: ELQLVESGGGLVQPGGSLRLSCAASRSIFGIYDMGWFRQAPGKEREWVSSVSNGVAFYADSVKGRFTISRDRAKNSVYLQMNSLRAEDTAVYYCRAVAHSTNTYWGQGTLVTVSS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FY66A
Energy difference between WT (input) and mutated protein (by FoldX)	0.0493589 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:22)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:24)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -3.6661
• Maximal score value: 1.8099
• Average score: -0.5445
• Total score value: -62.6226

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	-2.2404
2	L	A	-0.9585
3	Q	A	-0.6140
4	L	A	0.4734
5	V	A	1.2393
6	E	A	0.1642
7	S	A	-0.5888
8	G	A	-0.9756
9	G	A	0.0184
11	G	A	1.0423
12	L	A	1.7549
13	V	A	0.6268
14	Q	A	-1.1920
15	P	A	-1.2476
16	G	A	-1.4372
17	G	A	-1.3194
18	S	A	-1.3930
19	L	A	-1.2706
20	R	A	-2.5400
21	L	A	0.0000
22	S	A	-0.5703
23	C	A	0.0000
24	A	A	-0.0106
25	A	A	-0.3274
26	S	A	-1.0159
27	R	A	-1.8245
28	S	A	-0.9134
29	I	A	0.3592
30	F	A	1.8099
35	G	A	0.9604
36	I	A	0.5866
37	Y	A	0.1151
38	D	A	0.0042
39	M	A	0.0000
40	G	A	0.0000
41	W	A	0.0000
42	F	A	0.1033
43	R	A	0.0000
44	Q	A	-1.9809
45	A	A	-1.7606
46	P	A	-1.4707
47	G	A	-1.8717
48	K	A	-3.4393
49	E	A	-3.6661
50	R	A	-2.6980
51	E	A	-1.9488
52	W	A	-0.4304
53	V	A	0.0000
54	S	A	0.0000
55	S	A	0.7080
56	V	A	0.0000
57	S	A	0.0270
58	N	A	-1.1158
63	G	A	-0.3588
64	V	A	1.2618
65	A	A	1.1249
66	Y	A	1.5019	mutated: FY66A
67	Y	A	-0.1452
68	A	A	0.0000
69	D	A	-2.2928
70	S	A	-1.6930
71	V	A	0.0000
72	K	A	-2.2790
74	G	A	-1.7789
75	R	A	-1.9729
76	F	A	0.0000
77	T	A	-1.0354
78	I	A	0.0000
79	S	A	-0.4347
80	R	A	-1.2865
81	D	A	-1.7213
82	R	A	-2.1670
83	A	A	-1.6061
84	K	A	-2.3974
85	N	A	-1.6455
86	S	A	0.0000
87	V	A	0.0000
88	Y	A	-0.7029
89	L	A	0.0000
90	Q	A	-2.0781
91	M	A	0.0000
92	N	A	-2.4210
93	S	A	-1.5439
94	L	A	0.0000
95	R	A	-2.1274
96	A	A	-1.1704
97	E	A	-1.5881
98	D	A	0.0000
99	T	A	-0.1347
100	A	A	0.0000
101	V	A	0.6974
102	Y	A	0.0000
103	Y	A	0.0348
104	C	A	0.0000
105	R	A	0.1432
106	A	A	0.0000
107	V	A	0.0059
108	A	A	0.0000
109	H	A	-0.9921
113	S	A	-0.7719
114	T	A	-0.7950
115	N	A	-0.8603
116	T	A	-0.1603
117	Y	A	0.3544
118	W	A	0.4298
119	G	A	0.0000
120	Q	A	-0.9008
121	G	A	-0.3199
122	T	A	0.3837
123	L	A	1.7907
124	V	A	0.0000
125	T	A	0.5505
126	V	A	-0.2088
127	S	A	-0.2909
128	S	A	-0.1921