Project name: 3G11 [mutate: LH5V, LH108Q]

Status: done

submitted: 2019-03-29 02:18:24, status changed: 2019-03-29 02:24:34
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Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASGFMLSAEDVGWVRQAPGKGLEWVSAILDFGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARVVYHAGGGVTFDYWGQGTLVTVSS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LH5V, LH108Q
Energy difference between WT (input) and mutated protein (by FoldX) 0.742427 kcal/mol

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
-2.5518
Maximal score value
1.4881
Average score
-0.4863
Total score value
-59.3347

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 -1.9678
2 V H -0.9479
3 Q H -0.6498
4 L H 0.0000
5 V H 1.3407 mutated: LH5V
6 E H 0.0000
7 S H -0.5693
8 G H -0.9844
9 G H -0.7950
10 G H 0.1436
11 L H 1.0082
12 V H -0.0487
13 Q H -1.3285
14 P H -1.4149
15 G H -1.4215
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 -0.4183
22 C H 0.0000
23 A H -0.0048
24 A H 0.0000
25 S H -0.4885
26 G H -0.9815
27 F H -0.2387
28 M H -0.2482
29 L H 0.0000
30 S H -0.2434
31 A H 0.1218
32 E H 0.0656
33 D H 0.2604
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 -0.7374
40 A H -1.3188
41 P H -1.2422
42 G H -1.5680
43 K H -2.1100
44 G H -0.9838
45 L H 0.5940
46 E H -0.2577
47 W H 0.4662
48 V H 0.0000
49 S H 0.0000
50 A H 0.0000
51 I H 0.0000
52 L H 0.5432
52A D H 0.3748
53 F H 1.4881
54 G H 0.3415
55 G H -0.0244
56 S H 0.1781
57 T H 0.3219
58 Y H 0.5478
59 Y H -0.3468
60 A H -1.0802
61 D H -2.3793
62 S H -1.6447
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 -1.3077
72 D H -2.0667
73 N H -2.3441
74 S H -1.9073
75 K H -2.4889
76 N H -1.7499
77 T H 0.0000
78 L H 0.0000
79 Y H -0.6503
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 -2.5518
84 A H -1.8076
85 E H -2.3276
86 D H 0.0000
87 T H -0.9701
88 A H 0.0000
89 V H -0.3901
90 Y H 0.0000
91 Y H 0.2832
92 C H 0.0000
93 A H 0.0000
94 R H -0.0890
95 V H 0.5604
96 V H 0.7318
97 Y H 0.4251
98 H H -0.7020
99 A H -0.6858
100 G H -0.9330
100A G H -0.5673
100B G H 0.1655
100C V H 1.2802
100D T H 0.7570
100E F H 0.4331
101 D H -0.7855
102 Y H -0.3024
103 W H 0.1400
104 G H 0.0000
105 Q H -0.7049
106 G H 0.0000
107 T H -0.7083
108 Q H -1.0909 mutated: LH108Q
109 V H 0.0000
110 T H -0.3674
111 V H 0.0000
112 S H -0.5346
113 S H -0.5293

 

Laboratory of Theory of Biopolymers 2015