Project name: c57f611504a66db [mutate: LV105H] [mutate: FA28H, VI105H] [mutate: IV105H] [mutate: VL105H]

Chain sequence(s)	H: EVQLLESGGGLVQPGGSLRLSCAMSGHAFNLYIMAWFRQAPGKEREFVAGVSTSGRTSLYADSVKGRFTISRDNSKTTGYLQMNSLKSEDTAVYYCAARSSASEVWVPSGDEYYAWWGQGTTVTVSS
Selected Chain(s)	H
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VL105H
Energy difference between WT (input) and mutated protein (by FoldX)	-0.412095 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                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:28)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:35)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -3.7349
• Maximal score value: 1.5278
• Average score: -0.74
• Total score value: -93.9785

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	-1.3985
4	L	H	0.0000
5	L	H	0.8634
6	E	H	-0.0067
7	S	H	-0.4596
8	G	H	-1.0868
9	G	H	-0.4948
10	G	H	0.2273
11	L	H	1.1263
12	V	H	0.0000
13	Q	H	-1.4700
14	P	H	-1.7329
15	G	H	-1.4690
16	G	H	-0.9755
17	S	H	-1.2822
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	-0.1009
24	M	H	0.0000
25	S	H	-0.9995
26	G	H	-1.6895
27	H	H	-1.5284
28	A	H	-0.8508
29	F	H	0.0000
30	N	H	-1.3717
31	L	H	0.0560
32	Y	H	0.1091
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	-0.4931
54	S	H	-0.9398
55	G	H	-1.7034
56	R	H	-1.9304
57	T	H	-0.5900
58	S	H	-0.2651
59	L	H	0.1543
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	-0.8092
72	R	H	-1.4756
73	D	H	-1.9627
74	N	H	-2.3953
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	-1.4007
85	S	H	-1.2629
86	L	H	0.0000
87	K	H	-2.5106
88	S	H	-2.0266
89	E	H	-2.3208
90	D	H	0.0000
91	T	H	-0.7842
92	A	H	0.0000
93	V	H	-0.0378
94	Y	H	0.0000
95	Y	H	-0.2879
96	C	H	0.0000
97	A	H	0.0000
98	A	H	0.0000
99	R	H	-0.0388
100	S	H	-0.0087
101	S	H	0.2600
102	A	H	0.1502
103	S	H	-0.0388
104	E	H	0.3556
105	L	H	1.4834	mutated: VL105H
106	W	H	1.5278
107	V	H	0.0000
108	P	H	0.0000
109	S	H	-0.5818
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	0.0206
118	G	H	-0.2784
119	Q	H	-0.9712
120	G	H	-0.4206
121	T	H	-0.2714
122	T	H	0.0684
123	V	H	0.0000
124	T	H	-0.1051
125	V	H	0.0000
126	S	H	-0.5710
127	S	H	-0.9366