Project name: TS10-8 [mutate: SH55G, FH104L, SH141I, QH143S, GH168A, RH172L, AH173L]

Status: done

submitted: 2019-03-18 08:35:11, status changed: 2019-03-18 08:46:20
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Chain sequence(s) H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTDYSVHWVRQAPGQGLEWMGVINTYSGNTDYAQKFQGRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARGYGSWFAYWGQGTTLTVSSDIQMTQSPSSLSASVGDRVTITCSVQSSISSSGLHWYQQKPEKAPKSLIFGTSNRASGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQHWSSYPLTFGAGTKLEIK
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues SH55G, FH104L, SH141I, QH143S, GH168A, RH172L, AH173L
Energy difference between WT (input) and mutated protein (by FoldX) -1.66659 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
-2.1752
Maximal score value
1.5928
Average score
-0.2274
Total score value
-51.1673

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 -1.1676
2 V H -0.3143
3 Q H -1.1674
4 L H 0.0000
5 V H 1.4620
6 Q H 0.0000
7 S H -0.1477
8 G H -0.4672
9 A H -0.1167
10 E H -0.1397
11 V H 1.5928
12 K H -0.4840
13 K H -1.8040
14 P H -0.4557
15 G H -0.5086
16 A H -0.0879
17 S H -0.0931
18 V H 0.0000
19 K H -1.8276
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 -0.4010
27 Y H 0.2610
28 T H 0.1070
29 F H 0.6089
30 T H -0.2458
31 D H -1.6325
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 -0.2132
39 Q H -0.1663
40 A H -0.0585
41 P H -0.3383
42 G H -0.7308
43 Q H -1.3132
44 G H -0.3836
45 L H 0.0000
46 E H -0.4038
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 -0.3022
53 T H 0.0000
54 Y H 1.2306
55 G H -0.2506 mutated: SH55G
56 G H -0.4412
57 N H -1.3006
58 T H -0.4724
59 D H -1.0563
60 Y H 0.1938
61 A H 0.0000
62 Q H -1.2728
63 K H -1.8736
64 F H 0.0000
65 Q H -1.2842
66 G H -0.7812
67 R H -0.6066
68 V H 0.0000
69 T H -0.1240
70 M H 0.0000
71 T H -0.1217
72 R H -0.6139
73 D H -1.0012
74 T H -0.2361
75 S H -0.2219
76 T H -0.0587
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 -1.0945
83 L H 0.0000
84 S H -0.1215
85 S H -0.2961
86 L H 0.0000
87 R H -1.4727
88 S H -0.7426
89 E H -1.8485
90 D H 0.0000
91 T H -0.0183
92 A H 0.0000
93 V H 0.2637
94 Y H 0.0000
95 Y H 0.0000
96 C H 0.0000
97 A H 0.0000
98 R H -0.1952
99 G H 0.0000
100 Y H 1.3011
101 G H 0.1578
102 S H -0.0159
103 W H 0.1886
104 L H 0.0000 mutated: FH104L
105 A H 0.1013
106 Y H 0.4994
107 W H 0.2016
108 G H 0.0000
109 Q H -1.2089
110 G H -0.2771
111 T H 0.0000
112 T H -0.0043
113 L H 0.0000
114 T H 0.1677
115 V H 0.0000
116 S H -0.2098
117 S H -0.2441
118 D H -1.7520
119 I H -0.3409
120 Q H -1.1625
121 M H 0.0000
122 T H 0.0278
123 Q H 0.0000
124 S H -0.1267
125 P H -0.1487
126 S H -0.2656
127 S H -0.3698
128 L H 0.2912
129 S H -0.3391
130 A H 0.0000
131 S H 0.1785
132 V H 1.2972
133 G H -0.3710
134 D H -1.1823
135 R H -1.9997
136 V H 0.0000
137 T H -0.0665
138 I H 0.0000
139 T H -0.0227
140 C H 0.0000
141 I H 0.5488 mutated: SH141I
142 V H 0.0000
143 S H -0.2440 mutated: QH143S
144 S H -0.2476
145 S H -0.2661
146 I H 0.0000
147 S H -0.2563
148 S H -0.2590
149 S H -0.0779
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 -0.3565
158 P H -0.6446
159 E H -2.1752
160 K H -2.0281
161 A H -0.3079
162 P H -0.2547
163 K H -1.2485
164 S H 0.0000
165 L H 0.0000
166 I H 0.0000
167 F H 0.3248
168 A H 0.0757 mutated: GH168A
169 T H 0.0000
170 S H -0.3473
171 N H -0.6381
172 L H 0.4972 mutated: RH172L
173 L H 0.2975 mutated: AH173L
174 S H -0.2559
175 G H -0.5051
176 V H 0.0000
177 P H -0.1542
178 S H -0.2891
179 R H -0.3570
180 F H 0.0000
181 S H -0.1851
182 G H -0.1463
183 S H -0.2501
184 G H -0.2324
185 S H -0.2775
186 G H -0.2616
187 T H -0.3755
188 D H -1.7102
189 F H 0.0000
190 T H -0.0224
191 L H 0.0000
192 T H -0.0234
193 I H 0.0000
194 S H -0.4205
195 S H -0.2057
196 L H 0.0000
197 Q H -0.4367
198 P H -0.6095
199 E H -1.8576
200 D H 0.0000
201 F H 1.3339
202 A H 0.0000
203 T H -0.2529
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 0.2325
210 S H -0.0450
211 S H 0.0493
212 Y H 1.0176
213 P H 0.2657
214 L H 0.0000
215 T H 0.0237
216 F H 0.1851
217 G H 0.0000
218 A H 0.0502
219 G H -0.0347
220 T H 0.0000
221 K H -1.7246
222 L H 0.0000
223 E H -1.6574
224 I H 0.4054
225 K H -1.5114

 

Laboratory of Theory of Biopolymers 2015