Project name: c57f611504a66db [mutate: LV105H] [mutate: FA28H, VI105H] [mutate: IV105H]

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCAMSGHAFNLYIMAWFRQAPGKEREFVAGVSTSGRTSLYADSVKGRFTISRDNSKTTGYLQMNSLKSEDTAVYYCAARSSASEIWVPSGDEYYAWWGQGTTVTVSS
Selected Chain(s)	H
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	IV105H
Energy difference between WT (input) and mutated protein (by FoldX)	0.175259 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)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with H 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                                                       (00:00:31)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:34)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -3.7349
• Maximal score value: 1.6614
• Average score: -0.7374
• Total score value: -93.6556

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	-2.3358
2	V	H	0.0000
3	Q	H	-1.3986
4	L	H	0.0000
5	L	H	0.8633
6	E	H	-0.0068
7	S	H	-0.4596
8	G	H	-1.0868
9	G	H	-0.4948
10	G	H	0.2273
11	L	H	1.1261
12	V	H	0.0000
13	Q	H	-1.4717
14	P	H	-1.7365
15	G	H	-1.4708
16	G	H	-0.9766
17	S	H	-1.2827
18	L	H	-0.9504
19	R	H	-2.1666
20	L	H	0.0000
21	S	H	-0.4756
22	C	H	0.0000
23	A	H	-0.1010
24	M	H	0.0000
25	S	H	-0.9996
26	G	H	-1.6895
27	H	H	-1.5285
28	A	H	-0.8510
29	F	H	0.0000
30	N	H	-1.3771
31	L	H	0.0521
32	Y	H	0.1057
33	I	H	0.0000
34	M	H	0.0000
35	A	H	0.0000
36	W	H	0.0000
37	F	H	0.0000
38	R	H	-1.5640
39	Q	H	-2.2177
40	A	H	-1.9680
41	P	H	-1.4185
42	G	H	-1.9714
43	K	H	-3.4668
44	E	H	-3.7349
45	R	H	-3.2352
46	E	H	-3.2020
47	F	H	0.0000
48	V	H	0.0000
49	A	H	0.0000
50	G	H	0.0000
51	V	H	0.0000
52	S	H	0.0000
53	T	H	-0.4801
54	S	H	-0.9389
55	G	H	-1.7207
56	R	H	-1.9224
57	T	H	-0.5911
58	S	H	-0.2890
59	L	H	0.1380
60	Y	H	-0.7319
61	A	H	-1.5420
62	D	H	-2.4959
63	S	H	-1.8506
64	V	H	0.0000
65	K	H	-2.6152
66	G	H	-1.8008
67	R	H	-1.5643
68	F	H	0.0000
69	T	H	-0.8545
70	I	H	0.0000
71	S	H	-0.8105
72	R	H	-1.4793
73	D	H	-1.9627
74	N	H	-2.3988
75	S	H	-1.9560
76	K	H	-2.3695
77	T	H	-1.9424
78	T	H	0.0000
79	G	H	0.0000
80	Y	H	-0.6715
81	L	H	0.0000
82	Q	H	-1.3410
83	M	H	0.0000
84	N	H	-1.4011
85	S	H	-1.2637
86	L	H	0.0000
87	K	H	-2.5122
88	S	H	-2.0283
89	E	H	-2.3216
90	D	H	0.0000
91	T	H	-0.7845
92	A	H	0.0000
93	V	H	-0.0378
94	Y	H	0.0000
95	Y	H	-0.2880
96	C	H	0.0000
97	A	H	0.0000
98	A	H	0.0000
99	R	H	-0.0388
100	S	H	-0.0059
101	S	H	0.2990
102	A	H	0.1841
103	S	H	0.0081
104	E	H	0.4518
105	V	H	1.6614	mutated: IV105H
106	W	H	1.5407
107	V	H	0.0000
108	P	H	0.0000
109	S	H	-0.5928
110	G	H	-1.3070
111	D	H	-2.0047
112	E	H	-1.9226
113	Y	H	-0.4264
114	Y	H	0.0000
115	A	H	-0.0592
116	W	H	0.1168
117	W	H	0.0204
118	G	H	-0.2787
119	Q	H	-0.9714
120	G	H	-0.4207
121	T	H	-0.2715
122	T	H	0.0684
123	V	H	0.0000
124	T	H	-0.1055
125	V	H	0.0000
126	S	H	-0.5715
127	S	H	-0.9373