Project name: 1775bb284f58ea3 [mutate: IT31A, LS121A]

Chain sequence(s)	A: EVQLVESGGGLVQPGGSLRLSCAASGITFSIYRMAWFRQAPGKGLEGVSVIESGGGNTKYADSVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCAVRLPSSTSSWIWGSSLAPWGQGTLVTVSS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	LS121A,IT31A
Energy difference between WT (input) and mutated protein (by FoldX)	2.83435 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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 A 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                                                       (00:02:18)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:38)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:43)

• Minimal score value: -2.8239
• Maximal score value: 1.5879
• Average score: -0.586
• Total score value: -73.2441

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	A	-2.1015
2	V	A	-1.3112
3	Q	A	-1.3528
4	L	A	0.0000
5	V	A	0.8932
6	E	A	0.0000
7	S	A	-0.3416
8	G	A	-0.7571
9	G	A	-0.4349
10	G	A	0.2152
11	L	A	1.0489
12	V	A	0.0000
13	Q	A	-1.4064
14	P	A	-1.6885
15	G	A	-1.4183
16	G	A	-1.0002
17	S	A	-1.1688
18	L	A	-1.0485
19	R	A	-2.1832
20	L	A	0.0000
21	S	A	-0.4246
22	C	A	0.0000
23	A	A	-0.1802
24	A	A	0.0000
25	S	A	-1.0111
26	G	A	-1.2436
27	I	A	-0.4590
28	T	A	-0.1162
29	F	A	0.0000
30	S	A	-0.7882
31	T	A	-0.3091	mutated: IT31A
32	Y	A	-0.1264
33	R	A	-0.8503
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-1.1147
40	A	A	0.0000
41	P	A	-1.2818
42	G	A	-1.5334
43	K	A	-2.3758
44	G	A	-1.5373
45	L	A	-0.6216
46	E	A	-1.2346
47	G	A	-0.3483
48	V	A	0.0000
49	S	A	0.0000
50	V	A	0.0000
51	I	A	0.0000
52	E	A	-1.5523
53	S	A	-1.1369
54	G	A	-1.3030
55	G	A	-1.4897
56	G	A	-1.5975
57	N	A	-2.0382
58	T	A	-1.3889
59	K	A	-1.6075
60	Y	A	-1.4353
61	A	A	-1.7161
62	D	A	-2.6925
63	S	A	-1.8402
64	V	A	0.0000
65	K	A	-2.8239
66	G	A	-1.8018
67	R	A	-1.5269
68	F	A	0.0000
69	T	A	-1.0446
70	I	A	0.0000
71	S	A	-0.6267
72	R	A	-1.0040
73	D	A	-1.4129
74	N	A	-1.4589
75	A	A	-1.2231
76	K	A	-2.1351
77	N	A	-1.5087
78	T	A	-0.8075
79	L	A	0.0000
80	Y	A	-0.6171
81	L	A	0.0000
82	Q	A	-1.4215
83	M	A	0.0000
84	N	A	-1.4740
85	S	A	-1.2506
86	L	A	0.0000
87	R	A	-2.2548
88	A	A	-1.7223
89	E	A	-2.2654
90	D	A	0.0000
91	T	A	-0.7473
92	A	A	0.0000
93	V	A	0.0858
94	Y	A	0.0000
95	Y	A	0.2884
96	C	A	0.0000
97	A	A	0.0000
98	V	A	0.0000
99	R	A	0.0000
100	L	A	0.6268
101	P	A	-0.2708
102	S	A	-0.3655
103	S	A	-0.4190
104	T	A	-0.2633
105	S	A	-0.2082
106	S	A	0.2578
107	W	A	0.7075
108	I	A	1.4500
109	W	A	0.8183
110	G	A	0.2862
111	S	A	0.5499
112	S	A	0.8601
113	L	A	1.5879
114	A	A	0.9601
115	P	A	0.1632
116	W	A	0.4357
117	G	A	-0.1668
118	Q	A	-0.8636
119	G	A	0.0000
120	T	A	-0.1539
121	S	A	-0.1212	mutated: LS121A
122	V	A	0.0000
123	T	A	-0.1100
124	V	A	0.0000
125	S	A	-0.8424