Project name: obj1 [mutate: LA11C, LG45C, YH59C]

Chain sequence(s)	C: EVQLVESGGGLVQPGGSLRLSCAASDFTFRSYEMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARLRDGFNKGFDYWGQGTLVTVSS
Selected Chain(s)	C
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	LG45C,LA11C,YH59C
Energy difference between WT (input) and mutated protein (by FoldX)	4.01855 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 C 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                                                       (00:00:24)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:33)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)

• Minimal score value: -3.3265
• Maximal score value: 1.5458
• Average score: -0.7903
• Total score value: -94.8378

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	C	-2.0068
2	V	C	-0.9006
3	Q	C	-1.2218
4	L	C	0.0000
5	V	C	0.5884
6	E	C	0.2442
7	S	C	-0.4160
8	G	C	-0.8280
9	G	C	-0.3366
10	G	C	0.1447
11	A	C	-0.0811	mutated: LA11C
12	V	C	-0.7648
13	Q	C	-1.6733
14	P	C	-1.6527
15	G	C	-1.4104
16	G	C	-1.1313
17	S	C	-1.2285
18	L	C	-1.1425
19	R	C	-2.1482
20	L	C	0.0000
21	S	C	-0.5426
22	C	C	0.0000
23	A	C	-0.2017
24	A	C	0.0000
25	S	C	-0.2017
26	D	C	0.0000
27	F	C	1.5458
28	T	C	0.2525
29	F	C	0.0000
30	R	C	-2.0328
31	S	C	-0.8867
32	Y	C	-1.2169
33	E	C	-1.1435
34	M	C	0.0000
35	S	C	0.0000
36	W	C	0.0000
37	V	C	0.0000
38	R	C	0.0000
39	Q	C	-1.1763
40	A	C	-1.4292
41	P	C	-1.3393
42	G	C	-1.6453
43	K	C	-2.5865
44	G	C	-2.0018
45	G	C	-1.5312	mutated: LG45C
46	E	C	-1.3294
47	W	C	-0.0989
48	V	C	0.0000
49	S	C	0.0000
50	A	C	0.0000
51	I	C	0.0000
52	S	C	-0.7647
53	G	C	-1.2495
54	S	C	-1.2336
55	G	C	-1.0904
56	G	C	-0.7479
57	S	C	-0.6349
58	T	C	-0.4884
59	H	C	-0.7909	mutated: YH59C
60	Y	C	-1.0281
61	A	C	-1.4307
62	D	C	-2.4959
63	S	C	-1.7150
64	V	C	0.0000
65	K	C	-2.5770
66	G	C	-1.6175
67	R	C	0.0000
68	F	C	0.0000
69	T	C	-0.8298
70	I	C	0.0000
71	S	C	-0.5652
72	R	C	-1.3626
73	D	C	-1.9805
74	N	C	-2.1901
75	S	C	-1.7905
76	K	C	-2.3163
77	N	C	-1.6491
78	T	C	0.0000
79	L	C	0.0000
80	Y	C	-0.6697
81	L	C	0.0000
82	Q	C	-1.2344
83	M	C	0.0000
84	N	C	-1.3335
85	S	C	-1.2327
86	L	C	0.0000
87	R	C	-2.4824
88	A	C	-1.9099
89	E	C	-2.3549
90	D	C	0.0000
91	T	C	-0.6619
92	A	C	0.0000
93	I	C	0.7285
94	Y	C	0.0000
95	Y	C	0.4509
96	C	C	0.0000
97	A	C	0.0000
98	R	C	0.0000
99	L	C	0.0000
100	R	C	-3.1814
101	D	C	-3.3265
102	G	C	-2.0748
103	F	C	-1.3801
104	N	C	-2.4159
105	K	C	-3.1751
106	G	C	-1.8932
107	F	C	-0.9377
108	D	C	-1.0666
109	Y	C	-0.1439
110	W	C	0.6988
111	G	C	0.0075
112	Q	C	-0.8467
113	G	C	0.1089
114	T	C	0.5602
115	L	C	1.4867
116	V	C	0.0000
117	T	C	-0.2746
118	V	C	0.0000
119	S	C	-1.1131
120	S	C	-1.0909