Project name: obj1 [mutate: LV45C, WF47C, IS93C]

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	IS93C,LV45C,WF47C
Energy difference between WT (input) and mutated protein (by FoldX)	4.97454 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                                        (00:00:38)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -3.3576
• Maximal score value: 1.5458
• Average score: -0.6598
• Total score value: -79.1713

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	-2.0065
2	V	C	-0.9212
3	Q	C	-1.2504
4	L	C	0.0000
5	V	C	0.5599
6	E	C	0.2158
7	S	C	-0.4143
8	G	C	-0.8174
9	G	C	-0.0775
10	G	C	0.8567
11	L	C	1.4386
12	V	C	-0.0381
13	Q	C	-1.3366
14	P	C	-1.4883
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	-0.2019
24	A	C	0.0000
25	S	C	-0.2017
26	D	C	0.0000
27	F	C	1.5458
28	T	C	0.2524
29	F	C	0.0000
30	R	C	-2.0330
31	S	C	-0.8870
32	Y	C	-1.2169
33	E	C	-1.1671
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	-0.5545
40	A	C	-1.1742
41	P	C	-1.4449
42	G	C	-1.4363
43	K	C	-2.1124
44	G	C	-0.9491
45	V	C	0.7049	mutated: LV45C
46	E	C	-0.0517
47	F	C	0.8564	mutated: WF47C
48	V	C	0.0000
49	S	C	0.0000
50	A	C	0.0000
51	I	C	0.0000
52	S	C	-0.5546
53	G	C	-1.2460
54	S	C	-1.2291
55	G	C	-1.0820
56	G	C	-0.7344
57	S	C	-0.2352
58	T	C	0.3563
59	Y	C	0.9279
60	Y	C	-0.0978
61	A	C	-0.9515
62	D	C	-2.2988
63	S	C	-1.7074
64	V	C	0.0000
65	K	C	-2.3288
66	G	C	-1.6115
67	R	C	0.0000
68	F	C	0.0000
69	T	C	-0.6316
70	I	C	0.0000
71	S	C	-0.5624
72	R	C	-1.3627
73	D	C	-1.9805
74	N	C	-2.1902
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	-2.4718
88	A	C	-1.8889
89	E	C	-2.3441
90	D	C	0.0000
91	T	C	-0.5819
92	A	C	0.0000
93	S	C	0.4157	mutated: IS93C
94	Y	C	0.0000
95	Y	C	0.5539
96	C	C	0.0000
97	A	C	0.0000
98	R	C	0.0000
99	L	C	0.0000
100	R	C	-3.2250
101	D	C	-3.3576
102	G	C	-2.1243
103	F	C	-1.2644
104	N	C	-2.4669
105	K	C	-3.2158
106	G	C	-1.9531
107	F	C	-1.0687
108	D	C	-1.1413
109	Y	C	-0.2469
110	W	C	0.5114
111	G	C	-0.0858
112	Q	C	-0.9614
113	G	C	-0.1171
114	T	C	0.3681
115	L	C	1.4515
116	V	C	0.0000
117	T	C	0.2453
118	V	C	0.0000
119	S	C	-0.7737
120	S	C	-1.0597