Project name: TS10-7 [mutate: GH55S, IH141S, SH143Q, AH168G, LH172R, LH173A]

Status: done

submitted: 2019-03-18 03:22:44, status changed: 2019-03-18 03:31:20
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Chain sequence(s) H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTDYSVHWVRQAPGQGLEWMGVINTYGGNTDYAQKFQGRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARGYGSWLAYWGQGTTLTVSSDIQMTQSPSSLSASVGDRVTITCIVSSSISSSGLHWYQQKPEKAPKSLIFATSNLLSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHWSSYPLTFGAGTKLEIK
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues GH55S, IH141S, SH143Q, AH168G, LH172R, LH173A
Energy difference between WT (input) and mutated protein (by FoldX) 3.508 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
-2.1752
Maximal score value
1.591
Average score
-0.2432
Total score value
-54.7193

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 -1.1666
2 V H -0.3088
3 Q H -1.1665
4 L H 0.0000
5 V H 1.4620
6 Q H 0.0000
7 S H -0.1483
8 G H -0.4673
9 A H -0.1189
10 E H -0.1522
11 V H 1.5910
12 K H -0.4814
13 K H -1.8104
14 P H -0.4943
15 G H -0.4943
16 A H -0.0915
17 S H -0.1115
18 V H 0.0000
19 K H -1.8424
20 V H 0.0000
21 S H -0.0041
22 C H 0.0000
23 K H -0.8956
24 A H 0.0000
25 S H -0.2154
26 G H -0.4006
27 Y H 0.2591
28 T H 0.1037
29 F H 0.5919
30 T H -0.2128
31 D H -1.4133
32 Y H 0.0000
33 S H -0.0426
34 V H 0.0000
35 H H 0.0000
36 W H 0.0000
37 V H 0.0000
38 R H -0.2125
39 Q H -0.1675
40 A H -0.0586
41 P H -0.3383
42 G H -0.7308
43 Q H -1.3129
44 G H -0.3819
45 L H 0.0000
46 E H -0.3996
47 W H 0.0000
48 M H 0.0000
49 G H 0.0000
50 V H 0.0000
51 I H 0.0000
52 N H -0.2929
53 T H 0.0000
54 Y H 1.2766
55 S H 0.0065 mutated: GH55S
56 G H -0.3750
57 N H -1.2970
58 T H -0.4648
59 D H -1.0153
60 Y H 0.2054
61 A H 0.0000
62 Q H -1.2430
63 K H -1.8683
64 F H 0.0000
65 Q H -1.2842
66 G H -0.7787
67 R H -0.5932
68 V H 0.0000
69 T H -0.1347
70 M H 0.0000
71 T H -0.1292
72 R H -0.6649
73 D H -0.9932
74 T H -0.2344
75 S H -0.2222
76 T H -0.0586
77 S H 0.0000
78 T H 0.0000
79 V H 0.0000
80 Y H 0.2893
81 M H 0.0000
82 E H -1.1904
83 L H 0.0000
84 S H -0.1083
85 S H -0.1568
86 L H 0.0000
87 R H -1.4014
88 S H -0.7786
89 E H -1.8574
90 D H 0.0000
91 T H -0.0180
92 A H 0.0000
93 V H 0.2797
94 Y H 0.0000
95 Y H 0.0000
96 C H 0.0000
97 A H 0.0000
98 R H -0.1873
99 G H 0.0000
100 Y H 1.2976
101 G H 0.1370
102 S H -0.0314
103 W H 0.1815
104 L H 0.0000
105 A H 0.1179
106 Y H 0.5530
107 W H 0.2111
108 G H 0.0000
109 Q H -1.2089
110 G H -0.2771
111 T H 0.0000
112 T H -0.0019
113 L H 0.0000
114 T H 0.1676
115 V H 0.0000
116 S H -0.1945
117 S H -0.2413
118 D H -1.7504
119 I H -0.2906
120 Q H -0.9255
121 M H 0.0000
122 T H -0.0771
123 Q H 0.0000
124 S H -0.1524
125 P H -0.1699
126 S H -0.2684
127 S H -0.3828
128 L H 0.2217
129 S H -0.3516
130 A H 0.0000
131 S H 0.2070
132 V H 1.4505
133 G H -0.3436
134 D H -1.1823
135 R H -1.9998
136 V H 0.0000
137 T H -0.0548
138 I H 0.0000
139 T H -0.0327
140 C H 0.0000
141 S H -0.2871 mutated: IH141S
142 V H 0.0000
143 Q H -1.2329 mutated: SH143Q
144 S H -0.4475
145 S H -0.2695
146 I H 0.0000
147 S H -0.2564
148 S H -0.2591
149 S H -0.0787
150 G H 0.0000
151 L H 0.0000
152 H H 0.0000
153 W H 0.0000
154 Y H 0.0000
155 Q H 0.0000
156 Q H 0.0000
157 K H -0.3074
158 P H -0.6359
159 E H -2.1752
160 K H -2.0278
161 A H -0.3020
162 P H 0.0000
163 K H -1.1622
164 S H 0.0000
165 L H 0.0000
166 I H 0.0000
167 F H 0.4358
168 G H -0.0385 mutated: AH168G
169 T H 0.0000
170 S H -0.3833
171 N H -1.1149
172 R H -1.1424 mutated: LH172R
173 A H -0.2108 mutated: LH173A
174 S H -0.2978
175 G H -0.4681
176 V H 0.1051
177 P H -0.1178
178 S H -0.2925
179 R H -0.3751
180 F H 0.0000
181 S H -0.0943
182 G H -0.1321
183 S H -0.2529
184 G H -0.2466
185 S H -0.2801
186 G H -0.2620
187 T H -0.3776
188 D H -1.8029
189 F H 0.0000
190 T H -0.0238
191 L H 0.0000
192 T H -0.0216
193 I H 0.0000
194 S H -0.4231
195 S H -0.2064
196 L H 0.0000
197 Q H -0.4260
198 P H -0.5944
199 E H -1.8551
200 D H 0.0000
201 F H 1.1957
202 A H 0.0000
203 T H -0.2526
204 Y H 0.0000
205 Y H 0.0000
206 C H 0.0000
207 Q H 0.0000
208 H H 0.0000
209 W H 0.2559
210 S H -0.0368
211 S H 0.0517
212 Y H 0.8986
213 P H 0.2309
214 L H 0.0000
215 T H 0.0255
216 F H 0.1941
217 G H 0.0000
218 A H 0.0501
219 G H -0.0352
220 T H 0.0000
221 K H -1.7245
222 L H 0.0000
223 E H -1.6774
224 I H 0.2930
225 K H -1.5318

 

Laboratory of Theory of Biopolymers 2015