Project name: obj1 [mutate: GH10C, FK27C]

Status: done

Started: 2025-02-10 08:40:30
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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 GH10C,FK27C
Energy difference between WT (input) and mutated protein (by FoldX) 3.19498 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                                                       (00:00:22)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:31)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)
Show buried residues

Minimal score value
-3.3336
Maximal score value
1.5827
Average score
-0.7477
Total score value
-89.722

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 -1.9876
2 V C -1.4004
3 Q C -1.2093
4 L C 0.0000
5 V C 0.5766
6 E C 0.2393
7 S C -0.4643
8 G C -0.9265
9 G C -0.2528
10 H C 0.1791 mutated: GH10C
11 L C 1.0612
12 V C -0.2342
13 Q C -1.3543
14 P C -1.5022
15 G C -1.3907
16 G C -0.9190
17 S C -1.2055
18 L C -1.0429
19 R C -2.1231
20 L C 0.0000
21 S C -0.5244
22 C C 0.0000
23 A C -0.1817
24 A C 0.0000
25 S C -1.0039
26 D C 0.0000
27 K C -2.0827 mutated: FK27C
28 T C -1.5253
29 F C 0.0000
30 R C -2.6556
31 S C -1.3557
32 Y C -1.2182
33 E C -1.1461
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 -0.2977
40 A C -0.9850
41 P C -1.2942
42 G C -1.4348
43 K C -2.1350
44 G C -1.0592
45 L C 0.3944
46 E C -0.3909
47 W C 0.3405
48 V C 0.0000
49 S C 0.0000
50 A C 0.0000
51 I C 0.0000
52 S C -0.5835
53 G C -1.2692
54 S C -1.2559
55 G C -1.1007
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 -0.5774
72 R C -1.4015
73 D C -2.0522
74 N C -2.3419
75 S C -1.8621
76 K C -2.3643
77 N C -2.2262
78 T C 0.0000
79 L C 0.0000
80 Y C -0.6696
81 L C 0.0000
82 Q C -1.2353
83 M C 0.0000
84 N C -1.3170
85 S C -1.2147
86 L C 0.0000
87 R C -2.4788
88 A C -1.9121
89 E C -2.3504
90 D C 0.0000
91 T C -0.5179
92 A C 0.0000
93 I C 1.0104
94 Y C 0.0000
95 Y C 0.6440
96 C C 0.0000
97 A C 0.0000
98 R C 0.0000
99 L C 0.0000
100 R C -3.1908
101 D C -3.3336
102 G C -2.0878
103 F C -1.2339
104 N C -2.4298
105 K C -3.1855
106 G C -1.9081
107 F C -0.9864
108 D C -1.0977
109 Y C -0.2071
110 W C 0.5581
111 G C -0.0686
112 Q C -0.8796
113 G C 0.1199
114 T C 0.4857
115 L C 1.5827
116 V C 0.0000
117 T C 0.1169
118 V C 0.0000
119 S C -0.8366
120 S C -1.0921
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Laboratory of Theory of Biopolymers 2018