Project name: obj1 [mutate: EF6C, GM9C, WF47C, TY58C]

Status: done

Started: 2025-02-10 13:13:18
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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 GM9C,WF47C,EF6C,TY58C
Energy difference between WT (input) and mutated protein (by FoldX) 36.5935 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                                                       (00:00:26)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:48)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:14)
Show buried residues

Aggrescan3D profile | obj1 [mutate: EF6C, GM9C, WF47C, TY58C] | Chain CE1Q13F27K43S57S71S85F103G113-4-2024ResidueScore
Minimal score value
-3.3654
Maximal score value
1.7127
Average score
-0.5751
Total score value
-69.0137

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

Show chain Show residues from to
residue index residue name chain Aggrescan3D score mutation
residue index
residue name
chain
Aggrescan3D score
mutation
1 E C -2.0222
2 V C -0.9475
3 Q C -1.1239
4 L C 0.0000
5 V C 1.2209
6 F C 0.0000 mutated: EF6C
7 S C -0.0157
8 G C -0.4084
9 M C 0.7071 mutated: GM9C
10 G C 1.2212
11 L C 1.5554
12 V C 0.0690
13 Q C -1.3371
14 P C -1.4887
15 G C -1.4134
16 G C -0.9785
17 S C -1.2309
18 L C -0.7875
19 R C -1.9897
20 L C 0.0000
21 S C -0.2835
22 C C 0.0000
23 A C 0.0460
24 A C 0.0000
25 S C -0.1199
26 D C 0.0000
27 F C 1.5446
28 T C 0.2506
29 F C 0.0000
30 R C -2.0275
31 S C -0.8870
32 Y C -1.2169
33 E C -1.0269
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 -0.2743
40 A C -1.0156
41 P C -1.2937
42 G C -1.4340
43 K C -2.1334
44 G C -1.0557
45 L C 0.5060
46 E C -0.1664
47 F C 0.7990 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 -0.2165
53 G C -1.2325
54 S C -1.2070
55 G C -0.7325
56 G C -0.4084
57 S C 0.4274
58 Y C 1.7028 mutated: TY58C
59 Y C 1.5540
60 Y C 0.1578
61 A C -0.9705
62 D C -2.3091
63 S C -1.7134
64 V C 0.0000
65 K C -2.3414
66 G C -1.6168
67 R C 0.0000
68 F C 0.0000
69 T C -0.4487
70 I C 0.0000
71 S C -0.3394
72 R C -1.3505
73 D C -1.9739
74 N C -2.1845
75 S C -1.7905
76 K C -2.3163
77 N C -1.6457
78 T C 0.0000
79 L C 0.0000
80 Y C -0.6425
81 L C 0.0000
82 Q C -1.2336
83 M C 0.0000
84 N C -1.3326
85 S C -1.2322
86 L C 0.0000
87 R C -2.4721
88 A C -1.8894
89 E C -2.3444
90 D C 0.0000
91 T C -0.4733
92 A C 0.0000
93 I C 1.0479
94 Y C 0.0000
95 Y C 0.7782
96 C C 0.0000
97 A C 0.0000
98 R C 0.0000
99 L C 0.0000
100 R C -3.2400
101 D C -3.3654
102 G C -2.1313
103 F C -1.2739
104 N C -2.4754
105 K C -3.2288
106 G C -1.9808
107 F C -1.0993
108 D C -1.1524
109 Y C -0.2419
110 W C 0.6422
111 G C 0.1656
112 Q C -0.6811
113 G C 0.2908
114 T C 0.0000
115 L C 1.7127
116 V C 0.0000
117 T C 0.3885
118 V C 0.0000
119 S C -0.7749
120 S C -1.0602
residue index residue name chain Aggrescan3D score
mutation
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Laboratory of Theory of Biopolymers 2018