Project name: obj1 [mutate: EF6C, LG11C, LW45C]

Status: done

Started: 2025-02-10 12:21:04
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Chain sequence(s) C: EVQLVESGGGLVQPGGSLRLSCAASDFTFRSYEMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAIYYCARLRDGFNKGFDYWGQGTLVTVSS
input PDB
Selected Chain(s) C
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues LW45C,LG11C,EF6C
Energy difference between WT (input) and mutated protein (by FoldX) 26.1566 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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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                                        (00:00:37)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)
Show buried residues

Minimal score value
-3.3306
Maximal score value
1.5423
Average score
-0.7169
Total score value
-86.0267

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
residue index residue name chain Aggrescan3D score
mutation
1 E C -2.0239
2 V C -0.9962
3 Q C -1.1881
4 L C 0.0000
5 V C 1.1590
6 F C 0.0000 mutated: EF6C
7 S C -0.2024
8 G C -0.7885
9 G C -0.4075
10 G C -0.0816
11 G C -0.5899 mutated: LG11C
12 V C -1.0029
13 Q C -1.7827
14 P C -1.7039
15 G C -1.4091
16 G C -1.1848
17 S C -1.2272
18 L C -1.1999
19 R C -2.1492
20 L C 0.0000
21 S C -0.3997
22 C C 0.0000
23 A C 0.0416
24 A C 0.0000
25 S C -0.1293
26 D C 0.0000
27 F C 1.5423
28 T C 0.2494
29 F C 0.0000
30 R C -2.0328
31 S C -0.8867
32 Y C -1.2168
33 E C -1.1447
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 -0.4183
40 A C -1.0455
41 P C -1.3042
42 G C -1.4588
43 K C -2.1867
44 G C -1.1673
45 W C 0.1632 mutated: LW45C
46 E C -0.4985
47 W C 0.2849
48 V C 0.0000
49 S C 0.0000
50 A C 0.0000
51 I C 0.0000
52 S C -0.5842
53 G C -1.2453
54 S C -1.2288
55 G C -1.0819
56 G C -0.7345
57 S C -0.3027
58 T C 0.1987
59 Y C 0.6074
60 Y C -0.3559
61 A C -1.1386
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 -1.6476
78 T C 0.0000
79 L C 0.0000
80 Y C -0.6493
81 L C 0.0000
82 Q C -1.2347
83 M C 0.0000
84 N C -1.3337
85 S C -1.2328
86 L C 0.0000
87 R C -2.4813
88 A C -1.9087
89 E C -2.3548
90 D C 0.0000
91 T C -0.6972
92 A C 0.0000
93 I C 0.9828
94 Y C 0.0000
95 Y C 0.5941
96 C C 0.0000
97 A C 0.0000
98 R C 0.0000
99 L C 0.0000
100 R C -3.1837
101 D C -3.3306
102 G C -2.0850
103 F C -1.2304
104 N C -2.4263
105 K C -3.1803
106 G C -1.8961
107 F C -1.0261
108 D C -1.1695
109 Y C -0.3756
110 W C 0.3016
111 G C -0.0263
112 Q C -0.7907
113 G C 0.1688
114 T C 0.6765
115 L C 1.4518
116 V C 0.0000
117 T C -0.4557
118 V C 0.0000
119 S C -1.2074
120 S C -1.0899
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Laboratory of Theory of Biopolymers 2018