Project name: 20190218h8C12woDyn [mutate: AH98L, SH149I, EH178A] [mutate: VH92K, LH128K, VH206K]

Status: done

submitted: 2019-02-20 07:05:11, status changed: 2019-02-20 07:17:05
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Chain sequence(s) H: QVQLQESGPGLVKPSETLSLTCTVSGFSLNSFGWSWIRQPPGKGLEWIGYIWAGKNTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARLGYGNSLDYWGQGTTLTVSSDIVMTQSPDSLAVSLGERATINCKSSQSLLNIGNQRNYLTWYQQKPGQPPKLLIYWASTRASGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQNNYYFPLTFGTGTKLEIK
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues VH92K, LH128K, VH206K
Energy difference between WT (input) and mutated protein (by FoldX) 1.18318 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
-2.1981
Maximal score value
1.8096
Average score
-0.2616
Total score value
-60.1612

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 Q H -1.1983
2 V H 0.0000
3 Q H -1.1983
4 L H 0.0000
5 Q H -0.7696
6 E H 0.0000
7 S H -0.2498
8 G H -0.5213
9 P H -0.3709
10 G H -0.1571
11 L H 1.2649
12 V H 0.0000
13 K H -1.6845
14 P H -0.4958
15 S H -0.4167
16 E H -0.8205
17 T H -0.2116
18 L H 0.0000
19 S H -0.3001
20 L H 0.0000
21 T H -0.0232
22 C H 0.0000
23 T H -0.0473
24 V H 0.0000
25 S H -0.2830
26 G H -0.4511
27 F H 0.1782
28 S H -0.0304
29 L H 0.0000
30 N H -1.0656
31 S H -0.2298
32 F H 0.7200
33 G H 0.0000
34 W H 0.0000
35 S H 0.0000
36 W H 0.0000
37 I H 0.0000
38 R H 0.0000
39 Q H -0.1372
40 P H -0.1011
41 P H -0.3466
42 G H -0.8280
43 K H -1.7985
44 G H -0.3895
45 L H 0.0000
46 E H -0.5636
47 W H 0.0000
48 I H 0.0000
49 G H 0.0000
50 Y H 0.1452
51 I H 0.0000
52 W H 0.5276
53 A H -0.0571
54 G H -0.7676
55 K H -2.0205
56 N H -1.5913
57 T H -0.3462
58 N H -0.4461
59 Y H 0.1645
60 N H -0.1076
61 P H -0.2549
62 S H -0.2482
63 L H 0.0000
64 K H -1.7391
65 S H -0.5936
66 R H -0.4175
67 V H 0.0000
68 T H -0.0263
69 I H 0.0000
70 S H -0.1118
71 V H 0.0902
72 D H -0.5015
73 T H -0.2196
74 S H -0.5348
75 K H -1.7866
76 N H -0.6165
77 Q H -0.2671
78 F H 0.0000
79 S H -0.0591
80 L H 0.0000
81 K H -0.9470
82 L H 0.0000
83 S H -0.1451
84 S H -0.2586
85 V H 0.0000
86 T H -0.0421
87 A H 0.0593
88 A H 0.0691
89 D H 0.0000
90 T H -0.0183
91 A H 0.0000
92 K H -0.6248 mutated: VH92K
93 Y H 0.0000
94 Y H 0.0000
95 C H 0.0000
96 A H 0.0000
97 R H 0.0000
98 L H 0.0000
99 G H 0.1704
100 Y H 1.2189
101 G H -0.2291
102 N H 0.0000
103 S H -0.0254
104 L H 0.0000
105 D H -1.4452
106 Y H 0.1084
107 W H 0.2293
108 G H 0.0000
109 Q H -1.1983
110 G H 0.0000
111 T H -0.0225
112 T H -0.1547
113 L H 0.0000
114 T H -0.0278
115 V H 0.0000
116 S H -0.1472
117 S H -0.2329
118 D H -1.7524
119 I H 0.1966
120 V H 1.8096
121 M H 0.0000
122 T H -0.0552
123 Q H 0.0000
124 S H -0.2231
125 P H -0.4767
126 D H -1.8460
127 S H -0.7531
128 K H -0.4710 mutated: LH128K
129 A H -0.4304
130 V H 0.0000
131 S H -0.1112
132 L H 1.0943
133 G H -0.4819
134 E H -2.1981
135 R H -2.1880
136 A H 0.0000
137 T H -0.0292
138 I H 0.0000
139 N H -0.9091
140 C H 0.0000
141 K H -1.3820
142 S H 0.0000
143 S H -0.3955
144 Q H -1.2545
145 S H -0.3621
146 L H 0.0000
147 L H 0.2191
148 N H 0.2258
149 I H 1.7522
150 G H -0.3161
151 N H -1.4588
152 Q H -1.3527
153 R H -1.2030
154 N H -0.2282
155 Y H 0.1857
156 L H 0.0000
157 T H 0.0000
158 W H 0.0000
159 Y H 0.0000
160 Q H 0.0000
161 Q H 0.0000
162 K H -0.7657
163 P H -0.4708
164 G H -0.7331
165 Q H -1.2954
166 P H -0.2816
167 P H 0.0000
168 K H -1.4560
169 L H -0.0340
170 L H 0.0000
171 I H 0.0000
172 Y H 0.2767
173 W H 0.4308
174 A H 0.0000
175 S H -0.2187
176 T H -0.2009
177 R H -0.7520
178 A H -0.1682
179 S H -0.2969
180 G H -0.5053
181 V H 0.0000
182 P H -0.4212
183 D H -1.8612
184 R H -0.6361
185 F H 0.0000
186 S H -0.1004
187 G H -0.1328
188 S H -0.2633
189 G H -0.3037
190 S H -0.2690
191 G H -0.1379
192 T H -0.3387
193 D H -1.7443
194 F H 0.0000
195 T H -0.1336
196 L H 0.0000
197 T H -0.0221
198 I H 0.0000
199 S H -0.3812
200 S H -0.5406
201 L H 0.0000
202 Q H -0.4142
203 A H -0.3524
204 E H -1.8092
205 D H 0.0000
206 K H -1.0417 mutated: VH206K
207 A H 0.0000
208 V H 0.0467
209 Y H 0.0000
210 Y H 0.0000
211 C H 0.0000
212 Q H 0.0000
213 N H 0.0000
214 N H -0.1068
215 Y H 0.4330
216 Y H 1.5691
217 F H 1.3851
218 P H 0.2635
219 L H 0.0000
220 T H 0.0235
221 F H 0.2009
222 G H 0.0000
223 T H -0.0777
224 G H 0.0000
225 T H 0.0000
226 K H -1.1031
227 L H 0.0000
228 E H -1.6122
229 I H 0.1317
230 K H -1.5698

 

Laboratory of Theory of Biopolymers 2015