Project name: 62e01ef6a306dd7 [mutate: FS29H]

Chain sequence(s)	H: ELQLVESGGGLVQPGGSLRLSCAASRSIFGIYDMGWFRQAPGKEREWVSSVSNGVAFYADSVKGRFTISRDRAKNSVYLQMNSLRAEDTAVYYCRAVAHSTNTYWGQGTLVTVSS
Selected Chain(s)	H
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FS29H
Energy difference between WT (input) and mutated protein (by FoldX)	0.182066 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                                                       (00:00:23)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:24)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -4.0812
• Maximal score value: 1.6994
• Average score: -0.7272
• Total score value: -83.6232

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	-2.1763
2	L	H	-1.4850
3	Q	H	-1.5632
4	L	H	0.0000
5	V	H	0.6500
6	E	H	0.0000
7	S	H	-0.3330
8	G	H	-0.8574
9	G	H	0.1204
10	G	H	0.6488
11	L	H	1.4408
12	V	H	0.0077
13	Q	H	-1.2902
14	P	H	-1.5125
15	G	H	-1.3392
16	G	H	-0.8440
17	S	H	-1.0047
18	L	H	-0.8811
19	R	H	-2.1115
20	L	H	0.0000
21	S	H	-0.5236
22	C	H	0.0000
23	A	H	-0.5463
24	A	H	-0.9897
25	S	H	-1.6460
26	R	H	-2.7920
27	S	H	-1.4191
28	I	H	-0.5946
29	S	H	-0.3220	mutated: FS29H
30	G	H	-0.1141
31	I	H	0.4382
32	Y	H	0.9000
33	D	H	0.0518
34	M	H	0.0000
35	G	H	0.0000
36	W	H	0.0000
37	F	H	0.0000
38	R	H	0.0000
39	Q	H	-2.1212
40	A	H	-1.9263
41	P	H	-1.5190
42	G	H	-2.0448
43	K	H	-3.5640
44	E	H	-4.0812
45	R	H	-3.7713
46	E	H	-2.6619
47	W	H	-0.6484
48	V	H	0.0000
49	S	H	0.0000
50	S	H	0.0000
51	V	H	0.0000
52	S	H	0.2844
54	N	H	-0.9183
55	G	H	-0.0963
56	V	H	1.5619
57	A	H	1.1888
58	F	H	1.5699
59	Y	H	-0.0561
60	A	H	-1.1447
61	D	H	-2.2950
62	S	H	-1.8568
63	V	H	0.0000
64	K	H	-2.4286
65	G	H	-1.7718
66	R	H	-1.4371
67	F	H	0.0000
68	T	H	-0.6700
69	I	H	0.0000
70	S	H	-0.7823
71	R	H	-2.1852
72	D	H	-2.5109
73	R	H	-3.3376
74	A	H	-2.2475
75	K	H	-2.9632
76	N	H	-2.5382
77	S	H	0.0000
78	V	H	0.0000
79	Y	H	-0.8046
80	L	H	0.0000
81	Q	H	-1.2023
82	M	H	0.0000
82A	N	H	-1.3763
82B	S	H	-1.2163
82C	L	H	0.0000
83	R	H	-2.3567
84	A	H	-1.7810
85	E	H	-2.2765
86	D	H	0.0000
87	T	H	-0.3888
88	A	H	0.0000
89	V	H	0.4599
90	Y	H	0.0000
91	Y	H	-0.0609
92	C	H	0.0000
93	R	H	-0.1444
94	A	H	0.0000
95	V	H	0.0000
96	A	H	-0.6129
97	H	H	-1.2853
98	S	H	-0.9031
99	T	H	-0.8736
100	N	H	-0.9699
101	T	H	-0.2374
102	Y	H	-0.1047
103	W	H	0.0273
104	G	H	-0.2518
105	Q	H	-0.9382
106	G	H	0.0000
107	T	H	0.0000
108	L	H	1.6994
109	V	H	0.0000
110	T	H	0.3369
111	V	H	0.0000
112	S	H	-0.8148
113	S	H	-0.4867