Project name: Mutant_aggregation

Status: done

submitted: 2018-12-19 14:16:15, status changed: 2018-12-19 15:24:28
Settings
Chain sequence(s) A: MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGLEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAVKYVECSALTQKGLKNVFDEAILAAL
C: MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGLEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAVKYVECSALTQKGLKNVFDEAILAAL
B: MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGLEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAVKYVECSALTQKGLKNVFDEAILAAL
E: SKERRKTLETYQQLFYLLQTNPLYLAKLIFQMPQNKSTKFMDTVIFTLYNYASNQREEYLLLKLFKTALEEEIKSKVDQVQDIVTGNPTVIKMVVSFNRGARGQNTLRQLLAPVVKEIIDDKSLIINTNPVEVYKAWVNQLETQTGEASKLPYDVTTEQALTYPEVKNKLEASIENLRRVTDKVLNSIISSLDLLPYGLRYIAKVLKNSIHEKFPDATEDELLKIVGNLLYYRYMNPAIVAPDGFDIIDMTAGGQINSDQRRNLGSVAKVLQHAASNKLFEGENEHLSSMNNYLSETYQEFRKYFKEACNVPEPEEKFNMDKYTDLVTVSKPVIYISIEEIISTHSLLLEHQDAIAPEKNDLLSELLGSLGE
D: MQTIKCVVVGDGAVGKTCLLISYTTNKFPSEYVPTVFDNYAVTVMIGGEPYTLGLFDTAGLEDYDRLRPLSYPQTDVFLVCFSVVSPSSFENVKEKWVPEITHHCPKTPFLLVGTQIDLRDDPSTIEKLAKNKQKPITPETAEKLARDLKAVKYVECSALTQKGLKNVFDEAILAAL
F: SKERRKTLETYQQLFYLLQTNPLYLAKLIFQMPQNKSTKFMDTVIFTLYNYASNQREEYLLLKLFKTALEEEIKSKVDQVQDIVTGNPTVIKMVVSFNRGARGQNTLRQLLAPVVKEIIDDKSLIINTNPVEVYKAWVNQLETQTGEASKLPYDVTTEQALTYPEVKNKLEASIENLRRVTDKVLNSIISSLDLLPYGLRYIAKVLKNSIHEKFPDATEDELLKIVGNLLYYRYMNPAIVAPDGFDIIDMTAGGQINSDQRRNLGSVAKVLQHAASNKLFEGENEHLSSMNNYLSETYQEFRKYFKEACNVPEPEEKFNMDKYTDLVTVSKPVIYISIEEIISTHSLLLEHQDAIAPEKNDLLSELLGSLGE
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues RE982H
Energy difference between WT (input) and mutated protein (by FoldX) 7.28036 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
-2.368
Maximal score value
2.0519
Average score
-0.3546
Total score value
-514.9309

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 M A 0.9703
2 Q A -0.2739
3 T A -0.1492
4 I A 0.0000
5 K A 0.0000
6 C A 0.0000
7 V A 0.0000
8 V A 0.0000
9 V A 0.0000
10 G A 0.0000
11 D A -0.2761
12 G A -0.1331
13 A A -0.0112
14 V A 0.0000
15 G A -0.0890
16 K A 0.0000
17 T A 0.0015
18 C A 0.1005
19 L A 0.0000
20 L A 0.0000
21 I A 0.0000
22 S A 0.0000
23 Y A 0.0000
24 T A -0.0185
25 T A -0.2575
26 N A -1.4339
27 K A -1.0964
28 F A 0.0000
29 P A 0.0000
30 S A -0.3955
31 E A -1.7989
32 Y A -0.0802
33 V A 0.5231
34 P A 0.0608
35 T A -0.0169
36 V A 0.0000
37 F A 0.0000
38 D A -0.3477
39 N A -0.3375
40 Y A 0.0000
41 A A 0.1144
42 V A 0.3008
43 T A 0.0469
44 V A 0.5184
45 M A 1.3015
46 I A 1.2901
47 G A -0.3343
48 G A -0.6704
49 E A -0.7498
50 P A -0.2266
51 Y A 0.1345
52 T A 0.0006
53 L A 0.0000
54 G A 0.0000
55 L A 0.0000
56 F A 0.0000
57 D A 0.0000
58 T A 0.0000
59 A A 0.0000
60 G A -0.0525
61 L A -0.0917
62 E A -2.2535
63 D A -2.1277
64 Y A 0.0000
65 D A -1.7377
66 R A -0.7356
67 L A 0.0000
68 R A 0.0000
69 P A -0.0381
70 L A 0.0000
71 S A -0.0208
72 Y A 0.0000
73 P A -0.3546
74 Q A -1.2232
75 T A 0.0000
76 D A -0.6512
77 V A 0.0000
78 F A 0.0000
79 L A 0.0000
80 V A 0.0000
81 C A 0.0000
82 F A 0.0000
83 S A 0.0000
84 V A 0.0000
85 V A 0.0000
86 S A -0.0844
87 P A -0.0910
88 S A -0.2198
89 S A 0.0000
90 F A 0.0000
91 E A -1.6461
92 N A -0.7379
93 V A 0.0000
94 K A -1.5044
95 E A -2.3680
96 K A -1.9925
97 W A 0.0000
98 V A 0.0000
99 P A -0.1347
100 E A -0.2873
101 I A 0.0000
102 T A -0.2159
103 H A -1.1281
104 H A -0.8977
105 C A -0.0791
106 P A -0.1816
107 K A -0.4609
108 T A -0.1066
109 P A -0.0930
110 F A 0.0000
111 L A 0.0000
112 L A 0.0000
113 V A 0.0000
114 G A 0.0000
115 T A 0.0000
116 Q A -0.2060
117 I A 0.0000
118 D A -0.4499
119 L A 0.0000
120 R A -0.6484
121 D A -1.8481
122 D A 0.0000
123 P A -0.2091
124 S A 0.0000
125 T A 0.0000
126 I A 0.2674
127 E A -1.5535
128 K A -1.0084
129 L A 0.0000
130 A A -0.3892
131 K A -0.3539
132 N A -0.5716
133 K A -1.8555
134 Q A -1.2908
135 K A -1.8286
136 P A -0.3453
137 I A 0.0000
138 T A -0.0565
139 P A -0.4219
140 E A -1.8428
141 T A -0.3816
142 A A 0.0000
143 E A -2.1333
144 K A -2.0355
145 L A 0.0000
146 A A 0.0000
147 R A -1.9554
148 D A -1.7184
149 L A -0.3051
150 K A -1.8013
151 A A 0.0000
152 V A 0.5666
153 K A -0.5904
154 Y A 0.0373
155 V A 0.1780
156 E A -0.3196
157 C A 0.0000
158 S A 0.0000
159 A A 0.0004
160 L A 0.2098
161 T A -0.1117
162 Q A -0.7780
163 K A -1.8231
164 G A -0.5268
165 L A 0.0000
166 K A -1.9358
167 N A -1.7137
168 V A 0.0000
169 F A 0.0000
170 D A -1.3278
171 E A -0.3452
172 A A 0.0000
173 I A 0.0000
174 L A 1.1387
175 A A 0.2261
176 A A 0.2966
177 L A 1.5491
1 M B 0.9764
2 Q B -0.2431
3 T B -0.1472
4 I B 0.0000
5 K B 0.0000
6 C B 0.0000
7 V B 0.0000
8 V B 0.0000
9 V B 0.0000
10 G B 0.0000
11 D B -0.3131
12 G B -0.1330
13 A B -0.0091
14 V B 0.0000
15 G B -0.0885
16 K B 0.0000
17 T B -0.0006
18 C B 0.0995
19 L B 0.0000
20 L B 0.0000
21 I B 0.0000
22 S B 0.0000
23 Y B 0.1319
24 T B 0.0043
25 T B -0.2596
26 N B -1.4397
27 K B -1.1169
28 F B 0.0000
29 P B -0.0128
30 S B -0.4106
31 E B -1.7969
32 Y B -0.1041
33 V B 0.3114
34 P B 0.0236
35 T B -0.0170
36 V B 0.0000
37 F B 0.1819
38 D B -0.3194
39 N B -0.4380
40 Y B 0.1317
41 A B 0.1572
42 V B 0.3324
43 T B 0.0623
44 V B 0.5746
45 M B 1.2940
46 I B 1.2173
47 G B -0.3468
48 G B -0.6898
49 E B -0.8479
50 P B -0.1904
51 Y B 0.1485
52 T B -0.0023
53 L B 0.0000
54 G B 0.0000
55 L B 0.0000
56 F B 0.0000
57 D B 0.0000
58 T B 0.0000
59 A B 0.0000
60 G B -0.0513
61 L B -0.0592
62 E B -2.1273
63 D B -2.0998
64 Y B -0.2582
65 D B -0.8231
66 R B -1.8672
67 L B -0.1450
68 R B 0.0000
69 P B -0.0249
70 L B 0.1669
71 S B 0.0077
72 Y B 0.0000
73 P B -0.2811
74 Q B -1.2100
75 T B 0.0000
76 D B -0.6825
77 V B 0.0000
78 F B 0.0000
79 L B 0.0000
80 V B 0.0000
81 C B 0.0000
82 F B 0.0000
83 S B 0.0000
84 V B 0.0000
85 V B 0.0000
86 S B -0.0785
87 P B -0.0984
88 S B -0.2214
89 S B 0.0000
90 F B -0.1377
91 E B -1.8626
92 N B -1.0058
93 V B 0.0000
94 K B -1.3724
95 E B -2.1141
96 K B -0.5861
97 W B 0.0000
98 V B 0.0000
99 P B -0.1331
100 E B -0.2355
101 I B 0.0000
102 T B -0.2139
103 H B -1.1056
104 H B -0.7704
105 C B -0.0499
106 P B -0.1255
107 K B -0.2644
108 T B -0.0702
109 P B -0.0906
110 F B 0.0000
111 L B 0.0000
112 L B 0.0000
113 V B 0.0000
114 G B 0.0000
115 T B 0.0000
116 Q B -0.1379
117 I B 0.1658
118 D B -0.3283
119 L B 0.0000
120 R B -0.6639
121 D B -1.8510
122 D B 0.0000
123 P B -0.2333
124 S B 0.0000
125 T B 0.0000
126 I B 0.2829
127 E B -1.9358
128 K B -1.5861
129 L B 0.0000
130 A B -0.3126
131 K B -0.7660
132 N B -0.8762
133 K B -1.9213
134 Q B -1.4106
135 K B -1.8446
136 P B 0.0000
137 I B 0.0000
138 T B -0.0497
139 P B -0.4238
140 E B -1.8440
141 T B -0.3820
142 A B 0.0000
143 E B -1.0869
144 K B -1.8424
145 L B 0.0000
146 A B 0.0000
147 R B -2.2594
148 D B -1.5510
149 L B -0.2673
150 K B -1.8467
151 A B -0.1748
152 V B 0.5508
153 K B -0.7613
154 Y B -0.0397
155 V B 0.0000
156 E B -0.3016
157 C B 0.0000
158 S B 0.0000
159 A B 0.0103
160 L B 0.1972
161 T B -0.0676
162 Q B -0.6334
163 K B -1.8054
164 G B -0.5740
165 L B 0.0000
166 K B -1.9056
167 N B -1.5913
168 V B 0.0000
169 F B 0.0000
170 D B -1.5926
171 E B -0.3552
172 A B 0.0000
173 I B 0.0000
174 L B 1.4875
175 A B 0.2888
176 A B 0.2964
177 L B 1.5492
1 M C 0.8492
2 Q C -0.9263
3 T C -0.2366
4 I C 0.0000
5 K C -0.2449
6 C C 0.0000
7 V C 0.0000
8 V C 0.0000
9 V C 0.0000
10 G C 0.0000
11 D C -0.2834
12 G C -0.1655
13 A C -0.0071
14 V C 0.0000
15 G C -0.0849
16 K C 0.0000
17 T C -0.0030
18 C C 0.1130
19 L C 0.0000
20 L C 0.0000
21 I C 0.2256
22 S C 0.0000
23 Y C 0.0000
24 T C -0.0228
25 T C -0.2803
26 N C -1.5891
27 K C -1.7502
28 F C 0.5816
29 P C 0.0869
30 S C -0.5545
31 E C -1.7955
32 Y C 0.0569
33 V C 0.3359
34 P C 0.0212
35 T C -0.0147
36 V C 0.0000
37 F C 0.3942
38 D C -0.2089
39 N C -0.2769
40 Y C 0.0808
41 A C 0.0911
42 V C 0.2557
43 T C 0.0581
44 V C 0.4814
45 M C 1.0898
46 I C 0.0000
47 G C -0.5531
48 G C -0.8488
49 E C -1.7099
50 P C -0.3014
51 Y C 0.0000
52 T C -0.0193
53 L C 0.0000
54 G C -0.0743
55 L C 0.0000
56 F C 0.2475
57 D C 0.0000
58 T C 0.0000
59 A C 0.0000
60 G C -0.0629
61 L C -0.1387
62 E C -1.8214
63 D C -0.5425
64 Y C 0.0000
65 D C -0.4849
66 R C -1.2575
67 L C 0.0000
68 R C 0.0000
69 P C 0.0175
70 L C 0.3171
71 S C 0.0364
72 Y C 0.0000
73 P C -0.4436
74 Q C -1.2394
75 T C 0.0000
76 D C -0.7938
77 V C 0.0000
78 F C 0.0000
79 L C 0.0000
80 V C 0.0000
81 C C 0.0000
82 F C 0.0000
83 S C 0.0000
84 V C 0.0000
85 V C 0.0000
86 S C -0.0777
87 P C -0.0612
88 S C -0.0750
89 S C 0.0000
90 F C 0.0000
91 E C -1.3880
92 N C -0.5642
93 V C 0.0000
94 K C -1.3576
95 E C -0.9585
96 K C -0.5588
97 W C 0.0000
98 V C 0.0000
99 P C -0.0876
100 E C 0.0000
101 I C 0.0000
102 T C -0.1928
103 H C -0.7678
104 H C -0.5135
105 C C -0.0419
106 P C -0.5599
107 K C -1.7492
108 T C -0.3413
109 P C -0.0901
110 F C 0.0000
111 L C 0.0000
112 L C 0.0000
113 V C 0.0000
114 G C 0.0000
115 T C 0.0000
116 Q C -0.2729
117 I C 0.0000
118 D C -0.8409
119 L C 0.1061
120 R C -0.5307
121 D C -1.9339
122 D C -0.9006
123 P C -0.3296
124 S C -0.2619
125 T C 0.0549
126 I C 0.2093
127 E C -1.7917
128 K C -0.7669
129 L C 0.0000
130 A C -0.7162
131 K C -1.8346
132 N C -1.3757
133 K C -1.9384
134 Q C -1.1846
135 K C -1.8031
136 P C 0.0000
137 I C 0.0000
138 T C -0.0419
139 P C -0.4258
140 E C -1.8418
141 T C -0.3678
142 A C 0.0000
143 E C -1.0333
144 K C -1.8014
145 L C -0.2375
146 A C 0.0000
147 R C -2.1860
148 D C -1.1732
149 L C -0.2264
150 K C -1.8438
151 A C -0.1528
152 V C 0.5756
153 K C -1.1902
154 Y C -0.0793
155 V C 0.1722
156 E C -0.3082
157 C C 0.0000
158 S C 0.0000
159 A C 0.0000
160 L C 0.7216
161 T C -0.0365
162 Q C -0.9718
163 K C -1.8716
164 G C -0.5940
165 L C 0.0000
166 K C -1.9335
167 N C -1.5848
168 V C 0.0000
169 F C 0.0000
170 D C -0.9783
171 E C -0.3653
172 A C 0.0000
173 I C 0.0000
174 L C 1.2245
175 A C 0.2448
176 A C 0.2995
177 L C 1.5498
1 M D 0.9182
2 Q D -0.5594
3 T D -0.1605
4 I D 0.0000
5 K D -0.3475
6 C D 0.0000
7 V D 0.0000
8 V D 0.0000
9 V D 0.0000
10 G D 0.0000
11 D D -0.2753
12 G D -0.2340
13 A D -0.0188
14 V D 0.0000
15 G D -0.0890
16 K D 0.0000
17 T D 0.0028
18 C D 0.1106
19 L D 0.0000
20 L D 0.0000
21 I D 0.2823
22 S D 0.0000
23 Y D 0.0000
24 T D -0.0205
25 T D -0.2701
26 N D -1.5567
27 K D -1.5814
28 F D 0.6272
29 P D 0.0895
30 S D -0.5510
31 E D -1.7319
32 Y D 0.4097
33 V D 0.4458
34 P D 0.0259
35 T D -0.0165
36 V D 0.0000
37 F D 0.3467
38 D D -0.1492
39 N D -0.2174
40 Y D 0.0000
41 A D 0.0562
42 V D 0.2361
43 T D 0.0788
44 V D 0.5140
45 M D 1.0947
46 I D 0.0000
47 G D -0.5530
48 G D -0.8416
49 E D -1.6780
50 P D -0.3041
51 Y D 0.0000
52 T D 0.0000
53 L D 0.0000
54 G D -0.1026
55 L D 0.0000
56 F D 0.2080
57 D D 0.0000
58 T D 0.0000
59 A D 0.0000
60 G D -0.0665
61 L D 0.0560
62 E D -0.9352
63 D D -0.5098
64 Y D 0.0000
65 D D -0.5142
66 R D -1.4821
67 L D 0.0000
68 R D 0.0000
69 P D -0.0049
70 L D 0.1941
71 S D 0.0000
72 Y D 0.0000
73 P D -0.4626
74 Q D -1.2428
75 T D 0.0000
76 D D -0.7430
77 V D 0.0000
78 F D 0.0000
79 L D 0.0000
80 V D 0.0000
81 C D 0.0000
82 F D 0.0000
83 S D 0.0000
84 V D 0.0000
85 V D 0.0000
86 S D -0.0690
87 P D -0.0400
88 S D -0.0836
89 S D 0.0000
90 F D -0.1205
91 E D -1.6625
92 N D -0.7311
93 V D 0.0000
94 K D -1.6764
95 E D -1.6013
96 K D -0.7213
97 W D 0.0000
98 V D 0.0000
99 P D -0.1113
100 E D 0.0000
101 I D 0.0000
102 T D -0.2058
103 H D -0.8265
104 H D -0.5136
105 C D -0.0405
106 P D -0.5587
107 K D -1.7488
108 T D -0.3385
109 P D -0.0842
110 F D 0.0000
111 L D 0.0000
112 L D 0.0000
113 V D 0.0000
114 G D 0.0000
115 T D 0.0000
116 Q D -0.1950
117 I D 0.1428
118 D D -0.3907
119 L D 0.1320
120 R D -0.5386
121 D D -1.9378
122 D D -0.8778
123 P D -0.3353
124 S D -0.2608
125 T D 0.0530
126 I D 0.1798
127 E D -2.0296
128 K D -2.0339
129 L D 0.0000
130 A D -0.7114
131 K D -1.8420
132 N D -1.4230
133 K D -1.9499
134 Q D -1.2055
135 K D -1.8068
136 P D 0.0000
137 I D 0.0000
138 T D -0.0390
139 P D -0.4256
140 E D -1.8418
141 T D -0.3676
142 A D 0.0000
143 E D -1.0835
144 K D -1.8419
145 L D 0.0000
146 A D 0.0000
147 R D -2.1759
148 D D -1.1356
149 L D -0.2354
150 K D -1.8483
151 A D -0.1842
152 V D 0.4000
153 K D -1.2065
154 Y D -0.1025
155 V D 0.0000
156 E D -0.3715
157 C D 0.0000
158 S D 0.0000
159 A D 0.0000
160 L D 0.8087
161 T D 0.0102
162 Q D -0.8760
163 K D -1.8766
164 G D -0.7174
165 L D 0.0000
166 K D -1.8664
167 N D -1.2223
168 V D 0.0000
169 F D 0.0000
170 D D -0.9120
171 E D -0.4478
172 A D 0.0000
173 I D 0.0000
174 L D 1.4531
175 A D 0.2878
176 A D 0.2997
177 L D 1.5500
875 S E -0.5247
876 K E -2.0724
877 E E -2.2648
878 R E -1.3256
879 R E -1.8984
880 K E -1.9753
881 T E -0.3493
882 L E 0.0000
883 E E -1.8199
884 T E 0.0000
885 Y E 0.0000
886 Q E -0.2768
887 Q E -0.4072
888 L E 0.0000
889 F E 0.0000
890 Y E 0.2328
891 L E 0.0000
892 L E 0.1469
893 Q E -0.1536
894 T E 0.0000
895 N E -0.4830
896 P E 0.0000
897 L E 0.3178
898 Y E 0.0711
899 L E 0.0000
900 A E 0.0000
901 K E -1.2941
902 L E 0.0000
903 I E 0.0000
904 F E 0.0029
905 Q E -1.1568
906 M E 0.0000
907 P E -0.2482
908 Q E -0.6301
909 N E -0.4679
910 K E -0.8150
911 S E 0.0000
912 T E -0.1222
913 K E -0.2933
914 F E 0.0000
915 M E 0.0000
916 D E -1.7926
917 T E -0.3507
918 V E 0.0000
919 I E 0.0000
920 F E 1.6241
921 T E 0.2936
922 L E 0.0000
923 Y E 0.2298
924 N E -0.0963
925 Y E 0.0000
926 A E 0.0000
927 S E -0.0894
928 N E -0.2701
929 Q E 0.0000
930 R E -0.1892
931 E E 0.0000
932 E E -0.3793
933 Y E 0.0000
934 L E 0.3493
935 L E 0.0000
936 L E 0.0000
937 K E -0.9497
938 L E 0.0000
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Laboratory of Theory of Biopolymers 2015