Project name: 3G11 [mutate: VH37F, LH108Q]

Status: done

submitted: 2019-03-29 03:38:19, status changed: 2019-03-29 03:44:49
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Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASGFMLSAEDVGWVRQAPGKGLEWVSAILDFGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARVVYHAGGGVTFDYWGQGTLVTVSS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VH37F, LH108Q
Energy difference between WT (input) and mutated protein (by FoldX) 4.63752 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
-2.5518
Maximal score value
1.4828
Average score
-0.4938
Total score value
-60.244

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 -0.7471
3 Q H -0.5468
4 L H 0.0000
5 L H 0.7739
6 E H 0.0000
7 S H -0.7125
8 G H -0.9844
9 G H -0.8050
10 G H 0.1429
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 -0.5170
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 0.0334
33 D H 0.2307
34 V H 0.0000
35 G H 0.0000
36 W H 0.0000
37 F H 0.5890 mutated: VH37F
38 R H 0.0000
39 Q H -0.7627
40 A H -1.3523
41 P H -1.2318
42 G H -1.5598
43 K H -2.1663
44 G H -1.1257
45 L H 0.3547
46 E H -0.3079
47 W H 0.5419
48 V H 0.0000
49 S H 0.0000
50 A H 0.4546
51 I H 0.0000
52 L H 0.5346
52A D H 0.3635
53 F H 1.4828
54 G H 0.3387
55 G H -0.0244
56 S H 0.1727
57 T H 0.3044
58 Y H 0.5091
59 Y H -0.3771
60 A H -1.0882
61 D H -2.3896
62 S H -1.6440
63 V H 0.0000
64 K H -2.5206
65 G H -1.7859
66 R H -1.6246
67 F H 0.0000
68 T H -0.7805
69 I H 0.0000
70 S H -0.5750
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 -2.5518
84 A H -1.8076
85 E H -2.3276
86 D H 0.0000
87 T H -0.9641
88 A H 0.0000
89 V H -0.4029
90 Y H 0.0000
91 Y H 0.2602
92 C H 0.0000
93 A H 0.0000
94 R H -0.0683
95 V H 0.5329
96 V H 0.6894
97 Y H 0.3933
98 H H -0.7137
99 A H -0.6830
100 G H -0.9308
100A G H -0.5848
100B G H 0.1170
100C V H 1.1857
100D T H 0.7101
100E F H 0.4252
101 D H -0.7507
102 Y H -0.1521
103 W H 0.2202
104 G H 0.0000
105 Q H -0.8316
106 G H -0.5756
107 T H -0.8112
108 Q H -1.1031 mutated: LH108Q
109 V H 0.0000
110 T H -0.3683
111 V H 0.0000
112 S H -0.5346
113 S H -0.5293

 

Laboratory of Theory of Biopolymers 2015