Project name: obj1 [mutate: TY117C, WN110C]

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	TY117C,WN110C
Energy difference between WT (input) and mutated protein (by FoldX)	1.81824 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                                                       (00:00:22)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:27)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -3.2341
• Maximal score value: 1.6652
• Average score: -0.6701
• Total score value: -80.4152

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	-2.0060
2	V	C	-1.1687
3	Q	C	-1.5805
4	L	C	0.0000
5	V	C	0.3160
6	E	C	-0.0150
7	S	C	-0.4606
8	G	C	-0.8755
9	G	C	0.0148
10	G	C	1.0210
11	L	C	1.6652
12	V	C	0.1571
13	Q	C	-1.2247
14	P	C	-1.4103
15	G	C	-1.4134
16	G	C	-0.9785
17	S	C	-1.2309
18	L	C	-0.9631
19	R	C	-2.1462
20	L	C	0.0000
21	S	C	-0.5418
22	C	C	0.0000
23	A	C	-0.1957
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	-1.0755
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	-0.3597
40	A	C	-0.9506
41	P	C	-1.3084
42	G	C	-1.4330
43	K	C	-2.1226
44	G	C	-1.0118
45	L	C	0.5152
46	E	C	-0.3411
47	W	C	0.3640
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	-0.3562
61	A	C	-1.1390
62	D	C	-2.3443
63	S	C	-1.7150
64	V	C	0.0000
65	K	C	-2.3847
66	G	C	-1.6175
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	-2.3833
88	A	C	-1.7442
89	E	C	-2.2475
90	D	C	0.0000
91	T	C	-0.1878
92	A	C	0.0000
93	I	C	1.0247
94	Y	C	0.0000
95	Y	C	0.1821
96	C	C	0.0000
97	A	C	0.0000
98	R	C	0.0000
99	L	C	0.0000
100	R	C	-2.9681
101	D	C	-3.2341
102	G	C	-2.0117
103	F	C	-1.1502
104	N	C	-2.3472
105	K	C	-3.0485
106	G	C	-1.5981
107	F	C	-0.7327
108	D	C	-1.2368
109	Y	C	-0.9783
110	N	C	-1.2902	mutated: WN110C
111	G	C	0.0000
112	Q	C	-1.3154
113	G	C	-0.2892
114	T	C	0.3947
115	L	C	1.5273
116	V	C	0.0000
117	Y	C	1.0131	mutated: TY117C
118	V	C	0.0000
119	S	C	-0.5973
120	S	C	-0.9809