Project name: Test [mutate: VA126H, TR122H]

Chain sequence(s)	H: QVQLVESGGGPVEAGGSLRLSCAASGRSFSNSVMAWFRQAPGKEREFLSVLNWSSGRTSIADSVKGRFTMSRDPAKITVYLQMNGLKPEDTAVYYCAASNRGSLYTLDNQNRYEDWGQGTQVTVSS
Selected Chain(s)	H
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VA126H,TR122H
Energy difference between WT (input) and mutated protein (by FoldX)	3.63849 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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                                        (00:01:21)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:58)

• Minimal score value: -2.8738
• Maximal score value: 1.7635
• Average score: -0.8278
• Total score value: -104.3001

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	Q	H	-1.7679
2	V	H	-1.4521
3	Q	H	-1.3353
4	L	H	0.0000
5	V	H	0.4719
6	E	H	0.0000
7	S	H	-0.6768
8	G	H	-1.0700
9	G	H	-1.0702
11	G	H	-0.7907
12	P	H	-0.7473
13	V	H	-1.0808
14	E	H	-2.2152
15	A	H	-1.8387
16	G	H	-1.4579
17	G	H	-1.2826
18	S	H	-1.2357
19	L	H	-0.9083
20	R	H	-1.7242
21	L	H	0.0000
22	S	H	-0.4832
23	C	H	0.0000
24	A	H	0.0069
25	A	H	0.0000
26	S	H	-1.0404
27	G	H	-1.6385
28	R	H	-1.7578
29	S	H	-1.1172
30	F	H	0.0000
35	S	H	-1.0509
36	N	H	-1.8279
37	S	H	0.0000
38	V	H	0.0000
39	M	H	0.0000
40	A	H	0.0000
41	W	H	0.0000
42	F	H	0.0000
43	R	H	0.0000
44	Q	H	-1.3818
45	A	H	-1.4537
46	P	H	-1.0861
47	G	H	-1.6781
48	K	H	-2.6504
49	E	H	-2.8738
50	R	H	-1.8378
51	E	H	-1.3762
52	F	H	-0.7829
53	L	H	0.0000
54	S	H	0.0000
55	V	H	0.0000
56	L	H	0.0000
57	N	H	-1.4171
58	W	H	0.0000
59	S	H	-1.2093
62	S	H	-1.2647
63	G	H	-1.5296
64	R	H	-2.2569
65	T	H	-1.1270
66	S	H	-0.9331
67	I	H	-0.7870
68	A	H	-1.3385
69	D	H	-2.4778
70	S	H	-1.5068
71	V	H	0.0000
72	K	H	-2.6663
74	G	H	-1.8302
75	R	H	-1.7122
76	F	H	0.0000
77	T	H	-0.8959
78	M	H	0.0000
79	S	H	-0.6942
80	R	H	-0.7806
81	D	H	-0.9996
82	P	H	-0.7746
83	A	H	-0.7672
84	K	H	-1.5424
85	I	H	-0.3031
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	-0.5370
89	L	H	0.0000
90	Q	H	-1.1991
91	M	H	0.0000
92	N	H	-1.4297
93	G	H	-1.3509
94	L	H	0.0000
95	K	H	-2.1339
96	P	H	-1.7802
97	E	H	-2.1862
98	D	H	0.0000
99	T	H	-0.9773
100	A	H	0.0000
101	V	H	-0.4221
102	Y	H	0.0000
103	Y	H	-0.2178
104	C	H	0.0000
105	A	H	0.0000
106	A	H	0.0000
107	S	H	0.0000
108	N	H	-1.7727
109	R	H	-2.4330
110	G	H	-1.0475
111	S	H	-0.0001
111A	L	H	1.7635
111B	Y	H	0.8783
111C	T	H	0.1031
112C	L	H	-0.2108
112B	D	H	-1.2841
112A	N	H	-1.6035
112	Q	H	-1.5440
113	N	H	-1.7952
114	R	H	0.0000
115	Y	H	0.0000
116	E	H	-1.3675
117	D	H	-0.7331
118	W	H	-0.2414
119	G	H	-0.4435
120	Q	H	-1.1954
121	G	H	0.0000
122	R	H	-1.2882	mutated: TR122H
123	Q	H	-1.3289
124	V	H	0.0000
125	T	H	-1.0112
126	A	H	0.0000	mutated: VA126H
127	S	H	-1.3435
128	S	H	-1.1415