Project name: Mutant_aggregation

Status: done

submitted: 2018-12-12 23:46:19, status changed: 2018-12-13 00:03:21
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Chain sequence(s) A: DNREIVMKYIHYKLSQRGYEWDVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSM
C: KKLSECLRRIGDELDSNMELQRMIAD
B: DNREIVMKYIHYKLSQRGYEWDVVHLTLRQAGDDFSRRYRRDFAEMSSQLHLTPFTARGRFATVVEELFRDGVNWGRIVAFFEFGGVMCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSM
D: KKLSECLRRIGDELDSNMELQRMIAD
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues EB29D
Energy difference between WT (input) and mutated protein (by FoldX) -0.599821 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
-2.4803
Maximal score value
2.222
Average score
-0.3897
Total score value
-127.0332

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
10 D A -2.0750
11 N A 0.0000
12 R A -2.1827
13 E A -1.4425
14 I A 0.0000
15 V A 0.0000
16 M A 0.1623
17 K A -0.6516
18 Y A 0.0000
19 I A 0.0000
20 H A -0.3427
21 Y A 0.1419
22 K A 0.0000
23 L A 0.0000
24 S A -0.3270
25 Q A -0.7205
26 R A -1.9934
27 G A -0.7704
28 Y A -0.0935
29 E A -1.7259
30 W A -0.4962
31 D A -1.7577
92 V A 1.9426
93 V A 0.5413
94 H A 0.3179
95 L A 1.4045
96 T A 0.0000
97 L A 0.0000
98 R A -0.9777
99 Q A -0.7446
100 A A 0.0000
101 G A 0.0000
102 D A -0.3800
103 D A -0.3364
104 F A 0.0000
105 S A 0.0000
106 R A -1.8982
107 R A -0.6347
108 Y A 0.0000
109 R A -1.9246
110 R A -2.4702
111 D A -2.0791
112 F A -0.0533
113 A A -0.2287
114 E A -1.8091
115 M A 0.0000
116 S A -0.1118
117 S A -0.3105
118 Q A -0.4985
119 L A 0.0000
120 H A -0.9349
121 L A 0.0000
122 T A -0.0592
123 P A 0.1931
124 F A 1.9116
125 T A 0.0000
126 A A 0.0000
127 R A -0.5337
128 G A 0.0000
129 R A -0.1796
130 F A 0.0000
131 A A 0.0137
132 T A 0.0000
133 V A 0.1848
134 V A 0.0000
135 E A -0.5899
136 E A -0.4628
137 L A 0.0000
138 F A -0.0363
139 R A -1.4834
140 D A -2.0444
141 G A -0.4512
142 V A 0.2877
143 N A -0.1363
144 W A 0.0000
145 G A 0.0000
146 R A -0.1882
147 I A 0.0000
148 V A 0.0000
149 A A 0.0000
150 F A 0.0000
151 F A 0.0000
152 E A 0.0000
153 F A 0.0000
154 G A 0.0000
155 G A 0.0000
156 V A 0.1877
157 M A 0.0000
158 C A 0.0000
159 V A 0.0000
160 E A -0.3132
161 S A 0.0000
162 V A 0.1212
163 N A -1.3482
164 R A -1.2383
165 E A -1.9197
166 M A -0.2485
167 S A -0.1201
168 P A -0.2528
169 L A 0.0304
170 V A 0.0000
171 D A -1.6903
172 N A -1.0484
173 I A 0.0000
174 A A 0.0000
175 L A 0.4914
176 W A 0.2181
177 M A 0.0000
178 T A 0.0000
179 E A -1.4207
180 Y A -0.1325
181 L A 0.0000
182 N A -1.4275
183 R A -2.2122
184 H A -1.3320
185 L A 0.0000
186 H A -1.0672
187 T A -0.2128
188 W A 0.1775
189 I A 0.0000
190 Q A -1.5393
191 D A -2.1607
192 N A -1.2223
193 G A -0.6268
194 G A -0.2810
195 W A -0.1935
196 D A -1.7296
197 A A -0.3703
198 F A 0.0000
199 V A -0.2598
200 E A -1.7491
201 L A -0.1441
202 Y A 0.0000
203 G A -0.3589
204 P A -0.1007
205 S A 0.1312
206 M A 1.0432
10 D B -1.7894
11 N B 0.0000
12 R B -1.1543
13 E B -1.9479
14 I B 0.0000
15 V B 0.0000
16 M B -0.2706
17 K B -1.3225
18 Y B 0.0000
19 I B 0.0000
20 H B -0.4891
21 Y B 0.0738
22 K B 0.0000
23 L B 0.0000
24 S B -0.3781
25 Q B -1.0899
26 R B -2.0618
27 G B -0.7568
28 Y B -0.0071
29 D B -1.6847 mutated: EB29D
30 W B -0.5011
31 D B -1.7596
92 V B 1.8289
93 V B 0.7302
94 H B 0.2628
95 L B 1.3533
96 T B 0.0000
97 L B 0.0000
98 R B -0.9878
99 Q B -0.5970
100 A B 0.0000
101 G B 0.0000
102 D B -0.2740
103 D B -0.3171
104 F B 0.0000
105 S B -0.3613
106 R B -1.9043
107 R B -0.6453
108 Y B 0.0000
109 R B -1.9826
110 R B -2.4803
111 D B -2.0917
112 F B -0.2979
113 A B -0.2432
114 E B -1.8090
115 M B 0.0000
116 S B -0.1046
117 S B -0.2726
118 Q B -0.2959
119 L B 0.0000
120 H B -0.9557
121 L B -0.0071
122 T B -0.0182
123 P B 0.2326
124 F B 1.9173
125 T B 0.3611
126 A B 0.0000
127 R B -0.5392
128 G B 0.0000
129 R B 0.0000
130 F B 0.0000
131 A B 0.0065
132 T B -0.0072
133 V B 0.0000
134 V B 0.0000
135 E B -0.3629
136 E B -0.8067
137 L B 0.0000
138 F B -0.1490
139 R B -2.2007
140 D B -2.2016
141 G B -0.6436
142 V B 0.2226
143 N B -0.1375
144 W B 0.0000
145 G B 0.0000
146 R B 0.0000
147 I B 0.0000
148 V B 0.0000
149 A B 0.0000
150 F B 0.0000
151 F B 0.0000
152 E B 0.0000
153 F B 0.0000
154 G B 0.0000
155 G B 0.0000
156 V B 0.2194
157 M B 0.0000
158 C B 0.0000
159 V B 0.1916
160 E B 0.0000
161 S B 0.0000
162 V B 0.1426
163 N B -1.5470
164 R B -2.4199
165 E B -2.1399
166 M B -0.2448
167 S B -0.0983
168 P B -0.2508
169 L B 0.1049
170 V B 0.0000
171 D B -1.5578
172 N B -0.9476
173 I B 0.0000
174 A B 0.0000
175 L B 0.6464
176 W B 0.2459
177 M B 0.0000
178 T B 0.0000
179 E B -1.1287
180 Y B -0.0339
181 L B 0.0000
182 N B -0.8991
183 R B -2.1186
184 H B -1.3336
185 L B 0.0000
186 H B -0.7282
187 T B -0.1480
188 W B 0.0220
189 I B 0.0000
190 Q B -1.5399
191 D B -2.1464
192 N B -1.3103
193 G B -0.6404
194 G B -0.3016
195 W B -0.1935
196 D B -1.7604
197 A B -0.3157
198 F B 0.0000
199 V B 0.0343
200 E B -1.7197
201 L B -0.0589
202 Y B 0.0000
203 G B -0.4029
204 P B -0.0996
205 S B 0.1316
206 M B 1.0439
57 K C -1.8884
58 K C -1.3101
59 L C -0.0413
60 S C 0.0000
61 E C -0.2607
62 C C 0.0000
63 L C 0.0000
64 R C -1.3986
65 R C -1.8642
66 I C 0.0000
67 G C 0.0000
68 D C -0.5252
69 E C -0.4666
70 L C 0.0000
71 D C -0.4691
72 S C -0.3862
73 N C -0.5870
74 M C 0.0000
75 E C -1.6978
76 L C 0.6602
77 Q C -0.4681
78 R C -0.6692
79 M C 1.4177
80 I C 2.2220
81 A C 0.1035
82 D C -1.7787
57 K D -1.7706
58 K D -0.6982
59 L D 0.0000
60 S D -0.1941
61 E D -0.7550
62 C D 0.0000
63 L D 0.0000
64 R D -0.7839
65 R D -1.9889
66 I D 0.0000
67 G D 0.0000
68 D D -1.0566
69 E D -0.5812
70 L D 0.0000
71 D D -0.4855
72 S D -0.4041
73 N D -1.0106
74 M D 0.0000
75 E D -1.6142
76 L D 0.5922
77 Q D -0.3042
78 R D -0.4729
79 M D 0.8976
80 I D 2.1735
81 A D 0.0941
82 D D -1.6873

 

Laboratory of Theory of Biopolymers 2015