Project name: obj1 [mutate: LE115C]

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	LE115C
Energy difference between WT (input) and mutated protein (by FoldX)	0.318991 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 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                                                       (00:00:25)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:30)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -3.3333
• Maximal score value: 1.5458
• Average score: -0.7584
• Total score value: -91.0044

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	-2.0063
2	V	C	-0.9165
3	Q	C	-1.2443
4	L	C	0.0000
5	V	C	0.5674
6	E	C	-0.1518
7	S	C	-0.8119
8	G	C	-1.2990
9	G	C	-1.0192
10	G	C	-0.0512
11	L	C	0.9162
12	V	C	-0.0705
13	Q	C	-1.3453
14	P	C	-1.4924
15	G	C	-1.4163
16	G	C	-0.9838
17	S	C	-1.2346
18	L	C	-0.9727
19	R	C	-2.1462
20	L	C	0.0000
21	S	C	-0.5409
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	-2.0325
31	S	C	-0.8863
32	Y	C	-1.2160
33	E	C	-1.1454
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	-0.6907
40	A	C	-1.3279
41	P	C	-1.2862
42	G	C	-1.4347
43	K	C	-2.1338
44	G	C	-1.0572
45	L	C	0.4051
46	E	C	-0.3826
47	W	C	0.3445
48	V	C	0.0000
49	S	C	0.0000
50	A	C	0.0000
51	I	C	0.0000
52	S	C	-0.5831
53	G	C	-1.2447
54	S	C	-1.2286
55	G	C	-1.0817
56	G	C	-0.7345
57	S	C	-0.3025
58	T	C	0.1989
59	Y	C	0.6077
60	Y	C	-0.3560
61	A	C	-1.1377
62	D	C	-2.3447
63	S	C	-1.7159
64	V	C	0.0000
65	K	C	-2.3849
66	G	C	-1.6176
67	R	C	0.0000
68	F	C	0.0000
69	T	C	-0.6722
70	I	C	0.0000
71	S	C	-0.5624
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	-0.6696
81	L	C	0.0000
82	Q	C	-1.2337
83	M	C	0.0000
84	N	C	-1.3327
85	S	C	-1.2322
86	L	C	0.0000
87	R	C	-2.4751
88	A	C	-1.8924
89	E	C	-2.3461
90	D	C	0.0000
91	T	C	-1.0053
92	A	C	0.0000
93	I	C	-0.3371
94	Y	C	0.0000
95	Y	C	0.2210
96	C	C	0.0000
97	A	C	0.0000
98	R	C	0.0000
99	L	C	0.0000
100	R	C	-3.1907
101	D	C	-3.3333
102	G	C	-2.0866
103	F	C	-1.2310
104	N	C	-2.4286
105	K	C	-3.1848
106	G	C	-1.9076
107	F	C	-0.9859
108	D	C	-1.0994
109	Y	C	-0.2104
110	W	C	0.5574
111	G	C	-0.0666
112	Q	C	-0.8679
113	G	C	-0.6325
114	T	C	0.0000
115	E	C	-1.5918	mutated: LE115C
116	V	C	0.0000
117	T	C	-0.4941
118	V	C	0.0000
119	S	C	-0.7717
120	S	C	-1.0586