Project name: 5233a519938b176 [mutate: VA5H]

Chain sequence(s)	H: EVQLVESGGGEVQPGGSLKLSCVASGTDFSINFVRWYRQRPGKQREWVAGFTANGDTNYPDSMKGRFTISRDNAKNTVYLQINSLKSEDTAVYYCYMLDNWGQGTQVTVSS
Selected Chain(s)	H
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VA5H
Energy difference between WT (input) and mutated protein (by FoldX)	0.915358 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[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                                                       (00:00:26)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:29)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.0217
• Maximal score value: 1.2183
• Average score: -0.4188
• Total score value: -46.4867

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	-1.7803
2	V	H	-0.3239
3	Q	H	-1.1589
4	L	H	0.0000
5	A	H	0.0018	mutated: VA5H
6	E	H	-0.2507
7	S	H	-0.3190
8	G	H	-0.4544
9	G	H	-0.3622
11	G	H	-0.6555
12	E	H	-1.8371
13	V	H	-0.3376
14	Q	H	-1.1833
15	P	H	-0.6306
16	G	H	-0.5383
17	G	H	-0.3072
18	S	H	-0.2618
19	L	H	0.0503
20	K	H	-1.3380
21	L	H	0.0000
22	S	H	0.0201
23	C	H	0.0000
24	V	H	1.2183
25	A	H	0.0000
26	S	H	-0.1534
27	G	H	-0.4835
28	T	H	-0.4259
29	D	H	-1.7941
30	F	H	0.0000
35	S	H	-0.0805
36	I	H	0.4519
37	N	H	-1.0595
38	F	H	0.1724
39	V	H	0.0000
40	R	H	-0.2103
41	W	H	0.0000
42	Y	H	0.2276
43	R	H	0.0000
44	Q	H	-0.5666
45	R	H	-0.5770
46	P	H	-0.4204
47	G	H	-0.8110
48	K	H	-1.9995
49	Q	H	-1.6292
50	R	H	-1.0045
51	E	H	-0.3449
52	W	H	0.2932
53	V	H	0.0000
54	A	H	0.0000
55	G	H	0.0000
56	F	H	0.2190
57	T	H	0.0891
58	A	H	-0.3360
59	N	H	-1.3143
63	G	H	-0.8088
64	D	H	-1.8420
65	T	H	-0.4580
66	N	H	-0.7246
67	Y	H	0.0597
68	P	H	-0.3606
69	D	H	-2.0217
70	S	H	-0.5291
71	M	H	0.0000
72	K	H	-1.9120
74	G	H	-0.8394
75	R	H	-0.6086
76	F	H	0.0000
77	T	H	-0.0258
78	I	H	0.0000
79	S	H	-0.1630
80	R	H	-0.2846
81	D	H	-0.6177
82	N	H	-1.3571
83	A	H	-0.4684
84	K	H	-1.7314
85	N	H	-0.7043
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	0.3722
89	L	H	0.0000
90	Q	H	-0.6966
91	I	H	0.0000
92	N	H	-0.6658
93	S	H	-0.3350
94	L	H	0.0000
95	K	H	-1.5530
96	S	H	-0.6617
97	E	H	-1.8319
98	D	H	0.0000
99	T	H	-0.0134
100	A	H	0.0000
101	V	H	0.4700
102	Y	H	0.0000
103	Y	H	0.1259
104	C	H	0.0000
105	Y	H	0.1999
106	M	H	0.0000
107	L	H	0.6206
116	D	H	-1.6902
117	N	H	-0.6336
118	W	H	0.3169
119	G	H	0.0000
120	Q	H	-1.2237
121	G	H	-0.3404
122	T	H	-0.1544
123	Q	H	-0.5873
124	V	H	0.0000
125	T	H	-0.2436
126	V	H	0.0000
127	S	H	-0.1290
128	S	H	-0.2295