Project name: f14b0b2cececd8f [mutate: VR5H, VR11H, VR23H, IR31H, FE47H, WR101H]

Chain sequence(s)	H: EVQLVESGGGVVQPGGSLKLSCVASGTDFSINFIRWYRQAPGKQREFVAGFTATGNTNYADSMKGRFTISRDNTKNAVYLQIDSLKPEDTAVYYCYMLDKWGQGTQVTVSS
Selected Chain(s)	H
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VR11H,VR23H,VR5H,FE47H,IR31H,WR101H
Energy difference between WT (input) and mutated protein (by FoldX)	-3.0832 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       FoldX:    Building mutant model                                                       (00:01:15)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:03:58)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:19)

• Minimal score value: -2.3499
• Maximal score value: 0.6521
• Average score: -0.5786
• Total score value: -64.2213

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	-1.6696
2	V	H	0.2044
3	Q	H	-1.0248
4	L	H	-0.3011
5	R	H	-1.3480	mutated: VR5H
6	E	H	0.0000
7	S	H	-0.1968
8	G	H	-0.4177
9	G	H	-0.2855
10	G	H	-0.5313
11	R	H	-1.8366	mutated: VR11H
12	V	H	-0.3383
13	Q	H	-1.1736
14	P	H	-0.3881
15	G	H	-0.5036
16	G	H	-0.2061
17	S	H	-0.3660
18	L	H	-0.1745
19	K	H	-1.7101
20	L	H	0.0000
21	S	H	-0.0305
22	C	H	0.0000
23	R	H	-1.8430	mutated: VR23H
24	A	H	-0.3337
25	S	H	-0.1687
26	G	H	-0.4954
27	T	H	-0.5410
28	D	H	-1.7218
29	F	H	0.0834
30	S	H	-0.4195
31	R	H	-2.1559	mutated: IR31H
32	N	H	-1.5217
33	F	H	0.6521
34	I	H	0.0000
35	R	H	-0.2615
36	W	H	0.0000
37	Y	H	0.0000
38	R	H	-0.4427
39	Q	H	-0.5328
40	A	H	-0.1219
41	P	H	-0.3422
42	G	H	-0.8270
43	K	H	-2.0022
44	Q	H	-1.6142
45	R	H	-1.2271
46	E	H	-2.1620
47	E	H	-1.4343	mutated: FE47H
48	V	H	0.0000
49	A	H	0.0000
50	G	H	0.0000
51	F	H	0.4122
52	T	H	0.1992
53	A	H	0.0435
54	T	H	-0.1132
55	G	H	-0.4970
56	N	H	-1.3226
57	T	H	-0.4809
58	N	H	-1.2188
59	Y	H	0.0517
60	A	H	-0.2513
61	D	H	-1.8261
62	S	H	-0.5435
63	M	H	0.0000
64	K	H	-1.7836
65	G	H	-1.1042
66	R	H	-2.0882
67	F	H	0.0000
68	T	H	-0.0946
69	I	H	0.0000
70	S	H	-0.2306
71	R	H	-0.6659
72	D	H	-0.8759
73	N	H	-1.3889
74	T	H	-0.6498
75	K	H	-1.7768
76	N	H	-0.6549
77	A	H	0.0000
78	V	H	0.0000
79	Y	H	0.2517
80	L	H	0.0000
81	Q	H	-0.5639
82	I	H	0.0000
83	D	H	-1.7234
84	S	H	-0.3769
85	L	H	0.0000
86	K	H	-1.4552
87	P	H	-0.8580
88	E	H	-1.9013
89	D	H	-0.5159
90	T	H	-0.0578
91	A	H	0.0000
92	V	H	0.1874
93	Y	H	0.0000
94	Y	H	0.1796
95	C	H	0.0000
96	Y	H	0.1524
97	M	H	0.4428
98	L	H	0.5839
99	D	H	-1.9772
100	K	H	-2.3499
101	R	H	-2.0554	mutated: WR101H
102	G	H	0.0000
103	Q	H	-1.2107
104	G	H	-0.2737
105	T	H	-0.2392
106	Q	H	-1.1607
107	V	H	0.0000
108	T	H	-0.2300
109	V	H	0.0000
110	S	H	-0.2276
111	S	H	-0.2512