Project name: 3G11 [mutate: WH103R]

Status: done

submitted: 2019-03-29 02:38:12, status changed: 2019-03-29 02:44:38
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Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASGFMLSAEDVGWVRQAPGKGLEWVSAILDFGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARVVYHAGGGVTFDYWGQGTLVTVSS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WH103R
Energy difference between WT (input) and mutated protein (by FoldX) 3.00327 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-2.5509
Maximal score value
1.5121
Average score
-0.4539
Total score value
-55.38

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 H -1.8766
2 V H -0.9862
3 Q H -0.9017
4 L H 0.0000
5 L H 0.4901
6 E H 0.0000
7 S H -0.4026
8 G H -0.6437
9 G H 0.0603
10 G H 0.8612
11 L H 1.3754
12 V H -0.0470
13 Q H -1.3281
14 P H -1.4146
15 G H -1.4218
16 G H -1.1476
17 S H -1.1682
18 L H -1.0147
19 R H -2.1273
20 L H 0.0000
21 S H -0.5171
22 C H 0.0000
23 A H -0.1767
24 A H 0.0000
25 S H -0.4373
26 G H -0.8768
27 F H -0.1771
28 M H -0.2433
29 L H 0.0000
30 S H -0.2529
31 A H 0.1053
32 E H 0.0353
33 D H 0.3069
34 V H 0.0000
35 G H 0.0000
36 W H 0.0000
37 V H 0.0000
38 R H 0.0000
39 Q H -0.4032
40 A H -0.9744
41 P H -0.9495
42 G H -1.5675
43 K H -2.1093
44 G H -0.9831
45 L H 0.5971
46 E H -0.2583
47 W H 0.4576
48 V H 0.0000
49 S H 0.0000
50 A H 0.0000
51 I H 0.0000
52 L H 0.5384
52A D H 0.3645
53 F H 1.4828
54 G H 0.3379
55 G H -0.0244
56 S H 0.1781
57 T H 0.3219
58 Y H 0.5478
59 Y H -0.3472
60 A H -1.0807
61 D H -2.3793
62 S H -1.6449
63 V H 0.0000
64 K H -2.5088
65 G H -1.7821
66 R H -1.6220
67 F H 0.0000
68 T H -0.7744
69 I H 0.0000
70 S H -0.5758
71 R H -1.3080
72 D H -2.0670
73 N H -2.3446
74 S H -1.9073
75 K H -2.4894
76 N H -1.7399
77 T H 0.0000
78 L H 0.0000
79 Y H -0.6508
80 L H 0.0000
81 Q H -1.3389
82 M H 0.0000
82A N H -1.5240
82B S H -1.3161
82C L H 0.0000
83 R H -2.5509
84 A H -1.8061
85 E H -2.3262
86 D H 0.0000
87 T H -0.4800
88 A H 0.0000
89 V H 0.8160
90 Y H 0.0000
91 Y H -0.0235
92 C H 0.0000
93 A H 0.0000
94 R H -0.4834
95 V H 0.4959
96 V H 0.8412
97 Y H 0.4907
98 H H -0.6990
99 A H -0.6830
100 G H -0.9308
100A G H -0.5657
100B G H 0.2335
100C V H 1.3813
100D T H 1.0000
100E F H 0.5350
101 D H -1.1291
102 Y H -1.1628
103 R H -2.0097 mutated: WH103R
104 G H 0.0000
105 Q H -1.3638
106 G H -0.3786
107 T H 0.4496
108 L H 1.5121
109 V H 0.0000
110 T H 0.2933
111 V H 0.0000
112 S H -0.5348
113 S H -0.5296

 

Laboratory of Theory of Biopolymers 2015