Project name: 5f28953a189ae5d [mutate: VA5H]

Chain sequence(s)	H: EVQLVESGGGVVQPGGSLKLSCVASGTDFSINFIRWYRQAPGKQREFVAGFTATGNTNYADSMKGRFTISRDNTKNAVYLQIDSLKPEDTAVYYCYMLDKWGQGTQVTVSS
Selected Chain(s)	H
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VA5H
Energy difference between WT (input) and mutated protein (by FoldX)	0.587625 kcal/mol

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 H 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                                                       (00:00:33)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:35)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -2.7324
• Maximal score value: 1.2828
• Average score: -0.8285
• Total score value: -91.9625

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	H	-2.1230
2	V	H	-1.8938
3	Q	H	-1.4365
4	L	H	-0.2845
5	A	H	-0.0759	mutated: VA5H
6	E	H	-0.3174
7	S	H	-0.7393
9	G	H	-1.1647
10	G	H	-0.7354
11	G	H	0.2912
12	V	H	1.2828
13	V	H	0.0446
14	Q	H	-1.3375
15	P	H	-1.3665
16	G	H	-1.4530
17	G	H	-0.8909
18	S	H	-1.0670
19	L	H	-0.7838
20	K	H	-1.8882
21	L	H	0.0000
22	S	H	-0.3002
23	C	H	0.0000
24	V	H	0.6995
25	A	H	0.0000
26	S	H	-1.1551
27	G	H	-1.6246
29	T	H	-1.6434
30	D	H	-1.8937
31	F	H	0.0000
32	S	H	-0.7885
33	I	H	-0.0781
39	N	H	-0.2489
40	F	H	0.5012
41	I	H	0.0000
42	R	H	-0.0276
43	W	H	0.0000
44	Y	H	-0.1071
45	R	H	0.0000
46	Q	H	-1.4587
47	A	H	-1.5511
48	P	H	-1.1185
49	G	H	-1.6112
50	K	H	-2.7047
51	Q	H	-2.5265
52	R	H	-1.6898
53	E	H	-1.0053
54	F	H	-0.2505
55	V	H	0.0000
56	A	H	0.0000
57	G	H	0.0000
58	F	H	-0.5610
59	T	H	-0.6519
60	A	H	-0.5057
65	T	H	-0.5568
66	G	H	-1.1668
67	N	H	-1.5751
68	T	H	-1.2052
69	N	H	-1.8102
70	Y	H	-1.2963
71	A	H	-1.3970
72	D	H	-2.4989
73	S	H	-1.5901
74	M	H	0.0000
75	K	H	-2.7324
76	G	H	-1.7798
77	R	H	-1.4365
78	F	H	0.0000
79	T	H	-0.8995
80	I	H	0.0000
81	S	H	-0.4921
82	R	H	-1.0241
83	D	H	-1.5238
84	N	H	-2.2951
85	T	H	-1.7415
86	K	H	-2.2513
87	N	H	-1.6592
88	A	H	0.0000
89	V	H	0.0000
90	Y	H	-0.0957
91	L	H	0.0000
92	Q	H	-1.0524
93	I	H	0.0000
94	D	H	-1.5861
95	S	H	-1.3439
96	L	H	0.0000
97	K	H	-2.5031
98	P	H	-2.0388
99	E	H	-2.3827
100	D	H	0.0000
101	T	H	-0.8599
102	A	H	0.0000
103	V	H	-0.3390
104	Y	H	0.0000
105	Y	H	-0.1906
106	C	H	0.0000
107	Y	H	-0.1298
108	M	H	0.0000
109	L	H	-0.4272
137	D	H	-1.8833
138	K	H	-1.6556
139	W	H	-0.6222
140	G	H	-0.6208
141	Q	H	-1.0491
142	G	H	-0.7563
143	T	H	-0.9121
144	Q	H	-0.8441
145	V	H	0.0000
146	T	H	-0.2089
147	V	H	0.0000
148	S	H	-0.7849
149	S	H	-0.5041