Project name: Mutant_aggregation

Status: done

submitted: 2018-12-13 17:12:12, status changed: 2018-12-13 17:29:20
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Chain sequence(s) A: EKPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPS
C: KPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPS
B: KPRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPS
E: GPLDLSRDECKRILRKLELEAYAGVISALRAQGDLTKEKKDLLGELSKVLSISTERHRAEVRRAVNDERLTTIAHNMSGPNSSSEWSIEGRRLVPLMPRLVPQTAFTVTANAVANAAI
D: PRGFARGLEPERIIGATDSSGELMFLMKWKNSDEADLVPAKEANVKCPQVVISFYEERLTWHSYPS
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues IA161T
Energy difference between WT (input) and mutated protein (by FoldX) 2.8137 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
-2.2831
Maximal score value
2.0233
Average score
-0.3767
Total score value
-145.4159

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
7 G E -0.5125
8 P E -0.0548
9 L E 1.1701
10 D E -1.3503
11 L E 0.4703
12 S E -0.3039
13 R E -2.1948
14 D E -2.2831
15 E E -1.1296
16 C E -0.2200
17 K E -1.7330
18 R E -1.9539
19 I E 0.6851
20 L E 1.2975
21 R E -0.2393
22 K E -0.6272
23 L E 1.2606
24 E E -0.0179
25 L E -0.2262
26 E E -1.7846
27 A E -0.3061
28 Y E 0.0000
29 A E -0.0432
30 G E -0.1935
31 V E 0.4413
32 I E 0.0000
33 S E -0.0335
34 A E 0.0640
35 L E 0.1604
36 R E 0.0000
37 A E -0.1050
38 Q E -0.7143
39 G E 0.0000
40 D E -0.3475
41 L E 0.0000
42 T E -0.3387
43 K E -2.1576
44 E E -2.1903
45 K E -0.7436
46 K E -1.7023
47 D E -1.8242
48 L E 0.7383
49 L E 0.0000
50 G E -0.8742
51 E E -1.8399
52 L E -0.0942
53 S E -0.2982
54 K E -1.3790
55 V E 1.4994
56 L E 0.5023
57 S E -0.1733
58 I E 0.0000
59 S E -0.1212
60 T E -0.0909
61 E E 0.0000
62 R E -0.4264
63 H E -0.1802
64 R E 0.0000
65 A E 0.0080
66 E E 0.0000
67 V E 0.0000
68 R E -0.3143
69 R E -0.7663
70 A E 0.0000
71 V E 0.0000
72 N E -1.3107
73 D E -0.7731
74 E E -2.2002
75 R E -2.1473
76 L E -0.1645
77 T E -0.1872
78 T E 0.1055
79 I E 0.9625
80 A E 0.0000
81 H E -0.9084
82 N E -1.2005
83 M E 0.7801
84 S E -0.0366
85 G E -0.2853
86 P E -0.5070
87 N E -1.3199
88 S E 0.0000
89 S E -0.0993
90 S E -0.4284
91 E E -1.1896
92 W E 0.0000
93 S E 0.2098
94 I E 1.1120
95 E E 0.0352
96 G E 0.0000
97 R E -0.9459
98 R E -0.3465
99 L E 0.0000
100 V E 0.0000
101 P E 0.0000
102 L E 0.0000
103 M E 0.0000
104 P E -0.2438
105 R E -0.9464
106 L E 0.0000
107 V E 0.2593
108 P E -0.3473
109 Q E -1.2331
110 T E -0.2286
111 A E 0.0000
112 F E 0.0000
113 T E 0.0000
114 V E 0.0000
115 T E 0.0000
116 A E 0.0000
117 N E -1.2712
118 A E -0.1414
119 V E 0.4605
120 A E -0.0905
121 N E -1.2524
122 A E -0.1649
123 A E 0.4391
124 I E 2.0233
108 E A -2.1344
109 K A -2.0672
110 P A -0.8152
111 R A -1.8749
112 G A 0.0000
113 F A 0.2873
114 A A 0.0469
115 R A -0.4148
116 G A -0.4622
117 L A -0.0601
118 E A -1.7602
119 P A -0.4317
120 E A -0.4982
121 R A -0.4430
122 I A 0.0000
123 I A 0.0000
124 G A 0.0000
125 A A 0.0000
126 T A -0.3355
127 D A -1.8154
128 S A -0.5028
129 S A -0.3237
130 G A -0.7450
131 E A -1.3510
132 L A -0.0331
133 M A 0.2100
134 F A 0.0000
135 L A 0.0000
136 M A 0.0000
137 K A 0.0000
138 W A 0.0000
139 K A -1.1675
140 N A -1.4424
141 S A -0.3499
142 D A -0.8263
143 E A -1.9095
144 A A 0.0000
145 D A 0.0000
146 L A 0.1809
147 V A 0.0000
148 P A -0.0146
149 A A 0.0000
150 K A -1.8727
151 E A -1.2484
152 A A 0.0000
153 N A 0.0987
154 V A 1.4193
155 K A -1.3744
156 C A 0.0000
157 P A -0.2908
158 Q A -1.1690
159 V A -0.0137
160 V A 0.0000
161 T A 0.0000 mutated: IA161T
162 S A -0.0985
163 F A 0.0000
164 Y A 0.0000
165 E A -0.5560
166 E A -0.2987
167 R A 0.0000
168 L A 0.0000
169 T A 0.0000
170 W A 0.0000
171 H A -0.5830
172 S A -0.3812
173 Y A 0.4341
174 P A 0.0178
175 S A -0.2184
109 K B -1.7370
110 P B -0.7381
111 R B -1.2659
112 G B 0.0000
113 F B 0.2977
114 A B 0.0340
115 R B -0.4996
116 G B -0.4614
117 L B 0.0279
118 E B -1.7444
119 P B -0.5568
120 E B -1.3328
121 R B -2.0260
122 I B 0.0000
123 I B 0.7879
124 G B 0.0000
125 A B 0.0000
126 T B 0.0000
127 D B -0.5213
128 S B -0.2911
129 S B -0.3287
130 G B -0.7212
131 E B -1.2491
132 L B 0.0000
133 M B 0.1496
134 F B 0.0000
135 L B 0.0000
136 M B 0.0000
137 K B -0.2716
138 W B 0.0000
139 K B -1.1150
140 N B -1.4391
141 S B -0.5887
142 D B -2.1304
143 E B -2.1507
144 A B 0.0000
145 D B 0.0000
146 L B 0.0000
147 V B 0.0000
148 P B -0.0256
149 A B 0.0000
150 K B -1.8916
151 E B -1.3471
152 A B 0.0000
153 N B 0.0907
154 V B 1.4199
155 K B -1.3759
156 C B 0.0000
157 P B -0.2900
158 Q B -1.1681
159 V B -0.0127
160 V B 0.0000
161 I B 0.0000
162 S B -0.1701
163 F B 0.0000
164 Y B 0.0000
165 E B -1.0922
166 E B -2.0175
167 R B -0.5828
168 L B 0.3222
169 T B 0.1237
170 W B 0.3705
171 H B 0.0000
172 S B -0.1712
173 Y B 0.1403
174 P B -0.2531
175 S B -0.2600
109 K C -1.7328
110 P C -0.8310
111 R C -1.8771
112 G C 0.0000
113 F C 0.2816
114 A C 0.0513
115 R C -0.3859
116 G C -0.4360
117 L C 0.0566
118 E C -1.7403
119 P C -0.4120
120 E C -0.2845
121 R C -0.4989
122 I C 0.0000
123 I C 0.0000
124 G C -0.0476
125 A C 0.0000
126 T C 0.0000
127 D C -1.3371
128 S C -0.4634
129 S C -0.3381
130 G C -0.7636
131 E C -1.5978
132 L C 0.0000
133 M C 0.1216
134 F C 0.0000
135 L C 0.0000
136 M C 0.0000
137 K C 0.0000
138 W C 0.0000
139 K C -0.6517
140 N C -1.3800
141 S C -0.4706
142 D C -1.4952
143 E C -2.0331
144 A C 0.0000
145 D C 0.0000
146 L C 0.2050
147 V C 0.0000
148 P C -0.0206
149 A C 0.0000
150 K C -1.9346
151 E C -1.5843
152 A C 0.0000
153 N C 0.0863
154 V C 1.4170
155 K C -1.3744
156 C C 0.0000
157 P C -0.2373
158 Q C -0.7943
159 V C 0.1132
160 V C 0.0000
161 I C 0.0000
162 S C -0.0582
163 F C 0.0000
164 Y C 0.0000
165 E C -0.5239
166 E C -1.0981
167 R C 0.0000
168 L C 0.0000
169 T C 0.0000
170 W C 0.1999
171 H C -0.0776
172 S C -0.0307
173 Y C 0.1064
174 P C -0.2634
175 S C -0.2594
110 P D -0.5846
111 R D -1.8343
112 G D 0.0000
113 F D 0.3241
114 A D 0.0307
115 R D -0.5420
116 G D -0.4888
117 L D -0.0737
118 E D -1.7619
119 P D -0.5620
120 E D -1.3832
121 R D -2.0352
122 I D 0.0000
123 I D 0.3702
124 G D 0.0000
125 A D 0.0000
126 T D 0.0000
127 D D -1.3535
128 S D -0.4977
129 S D -0.3382
130 G D -0.7976
131 E D -1.6264
132 L D -0.2575
133 M D 0.1502
134 F D 0.0000
135 L D 0.0000
136 M D 0.0000
137 K D -0.3976
138 W D 0.0000
139 K D -0.9961
140 N D -1.4199
141 S D -0.6010
142 D D -1.9110
143 E D -0.9493
144 A D -0.1815
145 D D -0.1226
146 L D 0.3262
147 V D 0.0000
148 P D -0.0264
149 A D 0.0000
150 K D -1.9034
151 E D -1.4211
152 A D 0.0000
153 N D 0.1830
154 V D 1.4367
155 K D -1.3765
156 C D 0.0000
157 P D -0.2761
158 Q D -1.1666
159 V D -0.0040
160 V D 0.0000
161 I D 0.0000
162 S D -0.1275
163 F D 0.1629
164 Y D 0.0000
165 E D -1.0209
166 E D -2.1231
167 R D -1.2567
168 L D 0.0226
169 T D 0.0940
170 W D 0.3379
171 H D -0.1349
172 S D -0.2063
173 Y D 0.1406
174 P D -0.1719
175 S D -0.2442

 

Laboratory of Theory of Biopolymers 2015