Project name: 14-5pig [mutate: DH219A, QH138F, LH140P]

Status: done

submitted: 2019-03-18 02:59:21, status changed: 2019-03-18 03:06:06
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Chain sequence(s) H: QVQLQESGPGLVKPSETLSLTCTVSGQSLTNFGVHWIRQPPGKGLEWIGVIWAGGSTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARDGYNGYYYTMDYWGQGTSVTVSS
L: DIQMTQSPSSLSASVGDRVTITCSASSTVSFMNWYQQKPGKAPKLLIYSTSILASGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQRSSLPLITFGAGTKLEIKRTV
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues DH219A, QH138F, LH140P
Energy difference between WT (input) and mutated protein (by FoldX) -0.739227 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
-2.18
Maximal score value
1.7598
Average score
-0.2126
Total score value
-48.9048

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 D L -1.7372
2 I L -0.2682
3 Q L -1.1444
4 M L 0.0000
5 T L -0.0709
6 Q L 0.0000
7 S L -0.2193
8 P L -0.2062
9 S L -0.2830
10 S L -0.3558
11 L L 0.1450
12 S L -0.3049
13 A L -0.0402
14 S L -0.0380
15 V L 1.0495
16 G L -0.4321
17 D L -1.3336
18 R L -2.0241
19 V L 0.0000
20 T L -0.0642
21 I L 0.0000
22 T L -0.0280
23 C L 0.0000
24 S L -0.2385
25 A L -0.0365
26 S L -0.1976
27 S L -0.1849
28 T L -0.0527
29 V L 0.1729
31 S L -0.1031
32 F L 0.3704
33 M L 0.0000
34 N L 0.0000
35 W L 0.0000
36 Y L 0.0000
37 Q L -0.1275
38 Q L 0.0000
39 K L -0.5762
40 P L -0.4366
41 G L -0.8255
42 K L -1.7833
43 A L -0.3113
44 P L 0.0000
45 K L -1.4789
46 L L -0.1265
47 L L 0.0000
48 I L 0.0000
49 Y L 0.1533
50 S L 0.0586
51 T L -0.0535
52 S L -0.0711
53 I L 0.8823
54 L L 0.7089
55 A L 0.0000
56 S L -0.2981
57 G L -0.5052
58 V L 0.0000
59 P L -0.1925
60 S L -0.3167
61 R L -0.4389
62 F L 0.0000
63 S L -0.1676
64 G L -0.1550
65 S L -0.2871
66 G L -0.5008
67 S L -0.3792
68 G L -0.5097
69 T L -0.3559
70 D L -1.3551
71 F L 0.0000
72 T L -0.0370
73 L L 0.0000
74 T L -0.0188
75 I L 0.0000
76 S L -0.3848
77 S L -0.1774
78 L L 0.0000
79 Q L -0.4839
80 P L -0.6047
81 E L -1.8538
82 D L 0.0000
83 F L 0.7800
84 A L 0.0000
85 T L -0.1917
86 Y L 0.0000
87 Y L 0.0000
88 C L 0.0000
89 Q L 0.0000
90 Q L 0.0000
91 R L 0.0000
92 S L -0.0729
93 S L -0.0643
94 L L 0.3289
95 P L 0.0267
96A L L 0.3125
97 I L 0.0000
98 T L 0.0338
99 F L 0.2172
100 G L 0.0000
101 A L 0.0585
102 G L 0.0000
103 T L 0.0000
104 K L -1.4041
105 L L 0.0000
106 E L -1.0705
107 I L -0.2348
108 K L -2.0014
109 R L -2.1800
110 T L -0.1026
111 V L 1.7598
112 Q H -1.1664
113 V H -0.3037
114 Q H -1.1665
115 L H 0.0000
116 Q H -1.1983
117 E H 0.0000
118 S H -0.2755
119 G H -0.4122
120 P H -0.3210
121 G H -0.1457
122 L H 1.3456
123 V H 0.0000
124 K H -1.2216
125 P H -0.3567
126 S H -0.5252
127 E H -1.4732
128 T H -0.3287
129 L H 0.0000
130 S H -0.2346
131 L H 0.0000
132 T H -0.0324
133 C H 0.0000
134 T H -0.0777
135 V H 0.0000
136 S H -0.1691
137 G H -0.2380
138 F H 0.2123 mutated: QH138F
139 S H -0.2025
140 P H -0.2975 mutated: LH140P
141 T H -0.3048
142 N H -1.2367
143 F H -0.0110
144 G H 0.0000
145 V H 0.0000
146 H H 0.0000
147 W H 0.0000
148 I H 0.0000
149 R H 0.0000
150 Q H -0.1084
151 P H -0.1032
152 P H -0.3463
153 G H -0.8202
154 K H -1.8167
155 G H -0.4576
156 L H 0.0267
157 E H -0.4599
158 W H 0.0000
159 I H 0.0000
160 G H 0.0000
161 V H 0.0000
162 I H 0.0000
163 W H 0.3122
164 A H 0.0286
165 G H -0.5131
166 G H -0.4372
167 S H -0.2737
168 T H -0.1512
169 N H -0.3950
170 Y H 0.3519
171 N H 0.0000
172 P H -0.2775
173 S H -0.1733
174 L H 0.0000
175 K H -1.7383
176 S H -0.5846
177 R H -0.4102
178 V H 0.0000
179 T H -0.0524
180 I H 0.0000
181 S H 0.0472
182 V H 0.9288
183 D H -0.8682
184 T H -0.2997
185 S H -0.5317
186 K H -1.8957
187 N H -1.2602
188 Q H -0.6306
189 F H 0.0000
190 S H -0.0852
191 L H 0.0000
192 K H -1.3746
193 L H 0.0000
194 S H -0.1533
195 S H -0.2666
196 V H 0.0000
197 T H -0.0407
198 A H 0.0596
199 A H 0.0689
200 D H 0.0000
201 T H -0.0166
202 A H 0.0000
203 V H 0.3013
204 Y H 0.0000
205 Y H 0.0000
206 C H 0.0000
207 A H 0.0000
208 R H -0.1796
209 D H 0.0000
210 G H 0.0000
211 Y H 1.1587
212 N H -1.0597
213 G H -0.6272
214 Y H 0.4249
215 Y H 0.5953
216 Y H 0.9951
217 T H 0.0000
218 M H 0.0000
219 A H 0.0657 mutated: DH219A
220 Y H 0.3042
221 W H 0.1768
222 G H 0.0000
223 Q H -1.1983
224 G H 0.0000
225 T H -0.0496
226 S H -0.1592
227 V H 0.0000
228 T H 0.1129
229 V H 0.0000
230 S H -0.1184
231 S H -0.3486

 

Laboratory of Theory of Biopolymers 2015