Project name: Mutant_aggregation

Status: done

submitted: 2018-12-19 12:49:39, status changed: 2018-12-19 13:56:16
Settings
Chain sequence(s) A: QGWLKEIRKLQKSTHLLIRKLPFSRLAREICVKFTRGVDFNWQAQALLALQEAAEAFLVHLFEDAYLLTLHAGRVTLFPKDVQLARRIRGL
C: RAKAKTRSSRAGLQFPVGRVHRLLRKGNYSERVGAGAPVYLAAVLEYLTAEILELAGNAARDNKKTRIIPRHLQLAIRNDEELNKLLGRVTIAQGGVLPNIQAVLLP
B: RDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHAKRKTVTAMDVVYALKRQGRTLYGFGG
E: QGWLKEIRKLQKSTHLLIRKLPFSRLAREICVKFTRGVDFNWQAQALLALQEAAEAFLVHLFEDAYLLTLHAGRVTLFPKDVQLARRIRGL
D: RSRKESYSIYVYKVLKQVHPDTGISSKAMGIMNSFVNDIFERIAGEASRLAHYNKRSTITSREIQTAVRLLLPGELAKHAVSEGTKAVTKYTSA
G: RAKAKTRSSRAGLQFPVGRVHRLLRKGNYSERVGAGAPVYLAAVLEYLTAEILELAGNAARDNKKTRIIPRHLQLAIRNDEELNKLLGRVTIAQGGVLPNIQAVLLP
F: RDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENVIRDAVTYTEHAKRKTVTAMDVVYALKRQGRTLYGFGG
H: RSRKESYSIYVYKVLKQVHPDTGISSKAMGIMNSFVNDIFERIAGEASRLAHYNKRSTITSREIQTAVRLLLPGELAKHAVSEGTKAVTKYTSA
N: MDETVAEFIKRTILKIPMNELTTILKAWDFLSENQLQRQRKESVVQHLIHLCEEKRSDAALLDIIYMQFHQHQKMKQFKNSFKKVTVSFRETAVWIRIAWGTKPNQYKPTYVVYYSQRRNTPLLGQALTIASKH
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues AB34T
Energy difference between WT (input) and mutated protein (by FoldX) -0.520732 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
-2.4682
Maximal score value
1.9891
Average score
-0.347
Total score value
-304.6607

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
45 Q A -1.2848
46 G A -0.8167
47 W A -0.0170
48 L A 0.0565
49 K A -1.5327
50 E A -1.2412
51 I A 0.0000
52 R A -2.1584
53 K A -2.0410
54 L A 0.0000
55 Q A 0.0000
56 K A -1.7151
57 S A -0.3982
58 T A -0.2197
59 H A -0.9352
60 L A 0.1203
61 L A 0.0000
62 I A 0.0000
63 R A -0.6641
64 K A -0.6983
65 L A 0.6133
66 P A 0.0000
67 F A 0.0000
68 S A -0.2020
69 R A -0.9758
70 L A 0.0000
71 A A 0.0000
72 R A -0.5379
73 E A -0.9338
74 I A 0.0000
75 C A 0.0000
76 V A 0.8411
77 K A -1.4248
78 F A 0.0207
79 T A -0.1078
80 R A -0.8721
81 G A -0.0333
82 V A 0.0012
83 D A -0.9782
84 F A 0.0000
85 N A -0.2558
86 W A 0.0000
87 Q A -0.3098
88 A A -0.1339
89 Q A -0.7008
90 A A 0.0000
91 L A 0.0000
92 L A 0.2802
93 A A 0.0000
94 L A 0.0000
95 Q A 0.0000
96 E A 0.0000
97 A A 0.0000
98 A A 0.0000
99 E A 0.0000
100 A A 0.0871
101 F A 0.4007
102 L A 0.0000
103 V A 0.0000
104 H A -0.7473
105 L A 0.0000
106 F A 0.0000
107 E A -1.1586
108 D A -0.4407
109 A A 0.0000
110 Y A 0.0000
111 L A 0.1781
112 L A 0.0000
113 T A 0.0000
114 L A 0.3154
115 H A -0.0482
116 A A -0.1008
117 G A -0.5478
118 R A -0.4616
119 V A 0.2996
120 T A 0.0000
121 L A 0.0000
122 F A 0.3527
123 P A -0.2826
124 K A -1.7062
125 D A 0.0000
126 V A 0.0000
127 Q A -1.0418
128 L A 0.0000
129 A A 0.0000
130 R A -1.0643
131 R A -1.9592
132 I A 0.0000
133 R A -0.7678
134 G A -0.3067
135 L A 1.4617
24 R B -2.1682
25 D B -2.1518
26 N B -0.5629
27 I B -0.0124
28 Q B -1.1662
29 G B -0.3373
30 I B 0.0000
31 T B -0.2612
32 K B -1.3614
33 P B -0.3442
34 T B 0.0000 mutated: AB34T
35 I B 0.0000
36 R B -0.5640
37 R B -0.5256
38 L B 0.0000
39 A B 0.0000
40 R B 0.0000
41 R B 0.0000
42 G B -0.0515
43 G B 0.0000
44 V B 0.0000
45 K B -0.3127
46 R B -0.2418
47 I B 0.0000
48 S B 0.0000
49 G B 0.0624
50 L B 1.5056
51 I B 0.0000
52 Y B 0.0000
53 E B -1.8698
54 E B -0.6305
55 T B 0.0000
56 R B -0.2722
57 G B -0.2953
58 V B 0.0000
59 L B 0.0000
60 K B -0.6086
61 V B 1.4630
62 F B 0.0000
63 L B 0.0000
64 E B -1.5754
65 N B -1.2336
66 V B 0.0000
67 I B 0.0000
68 R B -0.3463
69 D B 0.0000
70 A B 0.0000
71 V B 0.0000
72 T B 0.0000
73 Y B 0.0000
74 T B 0.0000
75 E B -0.3638
76 H B 0.0000
77 A B -0.3082
78 K B -1.7425
79 R B -0.6557
80 K B -0.5905
81 T B 0.0000
82 V B 0.0000
83 T B -0.0105
84 A B 0.0437
85 M B 0.2151
86 D B 0.0000
87 V B 0.0000
88 V B 0.0000
89 Y B 0.1372
90 A B 0.0000
91 L B 0.0000
92 K B -0.8087
93 R B -0.9203
94 Q B -0.3742
95 G B -0.2234
96 R B -0.3649
97 T B 0.0000
98 L B 0.0000
99 Y B 0.0000
100 G B -0.0118
101 F B 0.2751
102 G B -0.1211
103 G B -0.4830
12 R C -1.8332
13 A C -0.5995
14 K C -1.6840
15 A C -0.5676
16 K C -1.5219
17 T C -0.3593
18 R C -0.3099
19 S C 0.0000
20 S C -0.2068
21 R C -0.3844
22 A C 0.0000
23 G C -0.4424
24 L C 0.0385
25 Q C -0.2863
26 F C 0.0000
27 P C 0.0000
28 V C 0.0000
29 G C 0.0000
30 R C -0.2133
31 V C 0.0000
32 H C -0.1669
33 R C -0.2571
34 L C 0.2002
35 L C 0.0000
36 R C -1.9338
37 K C -2.0147
38 G C -0.4812
39 N C -0.4457
40 Y C 0.0925
41 S C -0.3315
42 E C -1.8709
43 R C -0.5864
44 V C 0.0000
45 G C 0.0000
46 A C 0.0021
47 G C -0.1513
48 A C 0.0000
49 P C 0.0000
50 V C 0.0000
51 Y C 0.0000
52 L C 0.0000
53 A C 0.0000
54 A C 0.0000
55 V C 0.0000
56 L C 0.0000
57 E C -0.2526
58 Y C 0.0000
59 L C 0.0000
60 T C 0.0000
61 A C -0.1018
62 E C -0.6073
63 I C 0.0000
64 L C 0.0000
65 E C -1.4833
66 L C 0.1854
67 A C 0.0000
68 G C 0.0000
69 N C -0.7812
70 A C -0.1005
71 A C 0.0000
72 R C -2.2411
73 D C -2.2572
74 N C -1.3200
75 K C -1.8953
76 K C -0.7086
77 T C -0.1715
78 R C -0.3348
79 I C 0.0000
80 I C 0.3237
81 P C -0.0316
82 R C -0.3711
83 H C 0.0000
84 L C 0.0000
85 Q C -0.1202
86 L C 0.1919
87 A C 0.0000
88 I C 0.0000
89 R C -1.3539
90 N C -1.5576
91 D C -0.9941
92 E C -2.0030
93 E C -1.0812
94 L C 0.0000
95 N C -0.5889
96 K C -1.7688
97 L C -0.0937
98 L C 0.0000
99 G C -0.8097
100 R C -1.8939
101 V C -0.1419
102 T C 0.0257
103 I C 0.0000
104 A C 0.0000
105 Q C -0.2701
106 G C 0.0000
107 G C -0.0382
108 V C 0.3489
109 L C 0.3152
110 P C -0.3343
111 N C -0.7063
112 I C 0.2059
113 Q C -0.1752
114 A C 0.3361
115 V C 1.7835
116 L C 0.0000
117 L C 1.5009
118 P C 0.0289
32 R D -1.8835
33 S D -0.7296
34 R D -1.3007
35 K D -1.9733
36 E D -0.8526
37 S D -0.1484
38 Y D 0.0000
39 S D 0.1243
40 I D 1.0261
41 Y D 0.0000
42 V D 0.0000
43 Y D 0.2400
44 K D -0.7640
45 V D 0.0000
46 L D 0.0000
47 K D -1.9509
48 Q D -1.4510
49 V D 0.0843
50 H D -0.1519
51 P D -0.8056
52 D D -1.8359
53 T D 0.0000
54 G D -0.0957
55 I D 0.0000
56 S D -0.0753
57 S D -0.4014
58 K D -1.0280
59 A D 0.0000
60 M D 0.0982
61 G D -0.1043
62 I D 0.0000
63 M D 0.0000
64 N D -0.1612
65 S D -0.0491
66 F D 0.0000
67 V D 0.0000
68 N D -0.9140
69 D D -0.4515
70 I D 0.0000
71 F D 0.0000
72 E D -1.1245
73 R D -0.9686
74 I D 0.0000
75 A D 0.0000
76 G D -0.1986
77 E D -0.1909
78 A D 0.0000
79 S D -0.2335
80 R D -1.1718
81 L D 0.0000
82 A D -0.1220
83 H D -0.7684
84 Y D 0.0463
85 N D -0.4877
86 K D -2.0793
87 R D -2.1678
88 S D -0.3991
89 T D 0.0000
90 I D 0.0000
91 T D -0.0360
92 S D -0.1922
93 R D -0.6434
94 E D -0.3231
95 I D 0.0000
96 Q D -0.4361
97 T D 0.0000
98 A D 0.0000
99 V D 0.0000
100 R D -0.7257
101 L D 0.0000
102 L D 0.2115
103 L D 0.0000
104 P D -0.0992
105 G D -0.6609
106 E D -1.8499
107 L D -0.1789
108 A D 0.0000
109 K D -1.8369
110 H D -1.0647
111 A D 0.0000
112 V D 0.2151
113 S D -0.2877
114 E D -0.7142
115 G D 0.0000
116 T D -0.3479
117 K D -1.7039
118 A D 0.0000
119 V D 0.3269
120 T D -0.1834
121 K D -1.0581
122 Y D 0.0530
123 T D -0.0709
124 S D -0.3408
125 A D 0.0193
45 Q E -1.2568
46 G E -0.7069
47 W E 0.0272
48 L E 0.0624
49 K E -1.8505
50 E E -1.2707
51 I E 0.0000
52 R E -2.1584
53 K E -2.0410
54 L E 0.0000
55 Q E 0.0000
56 K E -1.7145
57 S E -0.3955
58 T E -0.2210
59 H E -0.9359
60 L E 0.1203
61 L E 0.0000
62 I E 0.0000
63 R E -0.6204
64 K E -0.7321
65 L E 0.6052
66 P E 0.0000
67 F E 0.0000
68 S E -0.2078
69 R E -1.0117
70 L E 0.0000
71 A E 0.0000
72 R E -0.6348
73 E E -0.9872
74 I E 0.0000
75 C E 0.0000
76 V E 0.8436
77 K E -1.4222
78 F E 0.0108
79 T E -0.2867
80 R E -1.8889
81 G E -0.0806
82 V E 1.4043
83 D E -1.4679
84 F E 0.0000
85 N E -0.2099
86 W E 0.0000
87 Q E -0.3098
88 A E -0.1388
89 Q E -0.7273
90 A E 0.0000
91 L E 0.0000
92 L E 0.3110
93 A E 0.0000
94 L E 0.0000
95 Q E 0.0000
96 E E 0.0000
97 A E 0.0000
98 A E 0.0000
99 E E 0.0000
100 A E 0.0502
101 F E 0.2098
102 L E 0.0000
103 V E 0.0000
104 H E -0.6067
105 L E 0.0000
106 F E 0.0000
107 E E -0.6380
108 D E -0.3320
109 A E 0.0000
110 Y E 0.0000
111 L E 0.1605
112 L E 0.0000
113 T E 0.0000
114 L E 0.2891
115 H E 0.0000
116 A E 0.0000
117 G E -0.5703
118 R E -0.5926
119 V E 0.1933
120 T E 0.0000
121 L E 0.0000
122 F E 0.3195
123 P E -0.3034
124 K E -1.7090
125 D E 0.0000
126 V E 0.0000
127 Q E -1.1821
128 L E 0.0000
129 A E 0.0000
130 R E -1.0629
131 R E -1.9563
132 I E 0.0000
133 R E -0.7400
134 G E -0.3017
135 L E 1.4617
24 R F -2.1633
25 D F -2.1241
26 N F -0.5596
27 I F -0.0301
28 Q F -1.1718
29 G F -0.3490
30 I F 0.0000
31 T F -0.2609
32 K F -1.3623
33 P F -0.3642
34 A F 0.0000
35 I F 0.0000
36 R F -0.6657
37 R F -0.4273
38 L F 0.0000
39 A F 0.0000
40 R F 0.0000
41 R F 0.0000
42 G F -0.0517
43 G F 0.0000
44 V F 0.0000
45 K F -0.3177
46 R F -0.2456
47 I F 0.0000
48 S F -0.0666
49 G F 0.0601
50 L F 1.5060
51 I F 0.0000
52 Y F 0.0000
53 E F -1.8651
54 E F -0.6046
55 T F 0.0000
56 R F -0.3066
57 G F -0.2967
58 V F 0.0000
59 L F 0.0000
60 K F -0.5541
61 V F 1.4010
62 F F 0.0000
63 L F 0.0000
64 E F -1.4712
65 N F -1.3912
66 V F 0.0000
67 I F 0.0000
68 R F -0.4310
69 D F 0.0000
70 A F 0.0000
71 V F 0.0000
72 T F 0.0000
73 Y F 0.0000
74 T F 0.0000
75 E F -0.3861
76 H F -0.1749
77 A F -0.3240
78 K F -1.7524
79 R F -0.7660
80 K F -0.8795
81 T F 0.0000
82 V F 0.0000
83 T F -0.0078
84 A F 0.0468
85 M F 0.2289
86 D F 0.0000
87 V F 0.0000
88 V F 0.0000
89 Y F 0.1109
90 A F 0.0000
91 L F 0.0000
92 K F -0.6664
93 R F -0.8981
94 Q F -0.5349
95 G F -0.2279
96 R F -0.3210
97 T F -0.0417
98 L F 0.0000
99 Y F 0.0000
100 G F -0.0131
101 F F 0.2923
102 G F -0.1183
103 G F -0.4831
12 R G -1.8332
13 A G -0.5995
14 K G -1.6848
15 A G -0.4811
16 K G -1.0299
17 T G -0.3186
18 R G -0.6707
19 S G 0.0000
20 S G -0.3737
21 R G -1.2204
22 A G 0.0000
23 G G -0.4445
24 L G 0.0385
25 Q G -0.2911
26 F G 0.0000
27 P G 0.0000
28 V G 0.0000
29 G G -0.0820
30 R G -0.1951
31 V G 0.0000
32 H G -0.6006
33 R G -1.7062
34 L G 0.2376
35 L G 0.0000
36 R G -1.7274
37 K G -1.8522
38 G G -0.4358
39 N G -0.3878
40 Y G 0.0000
41 S G -0.3641
42 E G -1.8718
43 R G -0.5929
44 V G 0.0000
45 G G 0.0000
46 A G 0.0169
47 G G -0.0926
48 A G 0.0000
49 P G 0.0000
50 V G 0.0000
51 Y G 0.0000
52 L G 0.0000
53 A G 0.0000
54 A G 0.0000
55 V G 0.0000
56 L G 0.0000
57 E G -0.2395
58 Y G 0.0943
59 L G 0.0000
60 T G 0.0000
61 A G -0.0746
62 E G -0.4443
63 I G 0.0000
64 L G 0.0000
65 E G -1.1158
66 L G 0.2890
67 A G 0.0000
68 G G 0.0000
69 N G -1.4521
70 A G -0.2297
71 A G 0.0000
72 R G -2.0702
73 D G -2.2579
74 N G -1.5748
75 K G -1.9373
76 K G -0.6824
77 T G -0.1503
78 R G -0.3214
79 I G 0.0000
80 I G 0.4512
81 P G 0.0000
82 R G -0.1942
83 H G 0.0000
84 L G 0.0000
85 Q G 0.0000
86 L G 0.2194
87 A G 0.0000
88 I G 0.0000
89 R G -0.5182
90 N G -1.4115
91 D G -1.0399
92 E G -1.9620
93 E G -0.8147
94 L G 0.0000
95 N G -0.8799
96 K G -1.8029
97 L G -0.1362
98 L G 0.0000
99 G G -0.8098
100 R G -1.9309
101 V G 0.0000
102 T G -0.0091
103 I G 0.0000
104 A G 0.0000
105 Q G -0.2383
106 G G 0.0000
107 G G -0.0534
108 V G 0.3135
109 L G 0.3361
110 P G -0.3899
111 N G -1.0186
112 I G 0.1954
113 Q G -0.3323
114 A G 0.3039
115 V G 1.7835
116 L G 0.0000
117 L G 1.5010
118 P G 0.0287
32 R H -1.8830
33 S H -0.6684
34 R H -0.9957
35 K H -2.1569
36 E H -2.1459
37 S H -0.3947
38 Y H 0.0000
39 S H -0.0225
40 I H 0.6992
41 Y H 0.0000
42 V H 0.0000
43 Y H 0.0796
44 K H -0.8151
45 V H 0.0000
46 L H 0.0000
47 K H -1.1450
48 Q H -1.2371
49 V H 0.4959
50 H H 0.0000
51 P H -0.5870
52 D H -1.8367
53 T H 0.0000
54 G H -0.1077
55 I H 0.0000
56 S H -0.0623
57 S H -0.4166
58 K H -1.1143
59 A H 0.0000
60 M H 0.1214
61 G H -0.0541
62 I H 0.0000
63 M H 0.0000
64 N H -0.1641
65 S H -0.0515
66 F H 0.0000
67 V H 0.0000
68 N H -1.2020
69 D H -0.4469
70 I H 0.0000
71 F H 0.0000
72 E H -1.1840
73 R H -0.6367
74 I H 0.0000
75 A H 0.0000
76 G H -0.0718
77 E H 0.0000
78 A H 0.0000
79 S H -0.2277
80 R H -1.0999
81 L H 0.0000
82 A H 0.0000
83 H H -0.7333
84 Y H 0.0613
85 N H -0.5051
86 K H -1.9538
87 R H -1.1897
88 S H -0.2345
89 T H 0.0000
90 I H 0.0000
91 T H -0.0186
92 S H -0.1990
93 R H -0.7672
94 E H 0.0000
95 I H 0.0000
96 Q H -0.5763
97 T H -0.2127
98 A H 0.0000
99 V H 0.0000
100 R H -0.8276
101 L H 0.0000
102 L H 0.0000
103 L H 0.0000
104 P H -0.0644
105 G H -0.5442
106 E H -1.8574
107 L H 0.0000
108 A H 0.0000
109 K H -1.8851
110 H H -1.3079
111 A H 0.0000
112 V H 0.3862
113 S H -0.1332
114 E H -0.7258
115 G H 0.0000
116 T H -0.3506
117 K H -1.7052
118 A H 0.0000
119 V H 0.2205
120 T H -0.2686
121 K H -1.2665
122 Y H -0.0176
123 T H -0.0667
124 S H -0.2151
125 A H 0.0192
1 M N 0.7175
2 D N -0.9909
3 E N -1.7317
4 T N -0.1905
5 V N 0.0000
6 A N -0.1723
7 E N 0.0000
8 F N 0.0000
9 I N 0.0000
10 K N -0.8327
11 R N -0.6457
12 T N 0.0000
13 I N 0.0000
14 L N 0.3985
15 K N -1.5686
16 I N 0.0000
17 P N 0.0173
18 M N 0.0789
19 N N -1.3848
20 E N -1.1157
21 L N 0.0113
22 T N -0.0547
23 T N -0.0779
24 I N 0.0000
25 L N 0.0000
26 K N -1.4465
27 A N -0.1985
28 W N -0.1615
29 D N -1.7156
30 F N -0.0827
31 L N 0.0000
32 S N -0.3841
33 E N -2.0641
34 N N -1.6564
35 Q N -0.3817
36 L N 0.2979
37 Q N -1.0936
42 R N -2.0642
43 Q N -1.8088
44 R N -1.7582
45 K N -0.7430
46 E N -1.3006
47 S N -0.3292
48 V N 0.2769
49 V N 0.0000
50 Q N -1.2101
51 H N -1.1777
52 L N 0.0000
53 I N 0.1525
54 H N -0.8665
55 L N 0.1739
56 C N -0.1601
57 E N -2.3312
58 E N -2.4682
59 K N -2.3678
60 R N -2.3375
64 S N -0.5449
65 D N -1.8289
66 A N 0.0000
67 A N 0.0000
68 L N 0.4526
69 L N 0.0000
70 D N -0.2786
71 I N 0.0000
72 I N 0.0000
73 Y N 0.0000
74 M N 0.0916
75 Q N 0.0023
76 F N 1.2472
77 H N -0.2934
78 Q N -1.4431
79 H N -1.4277
80 Q N -1.6886
81 K N -1.9190
101 M N 0.8986
102 K N -0.8795
103 Q N -1.3206
104 F N -0.0285
105 K N 0.0000
106 N N -0.7682
107 S N -0.2996
108 F N -0.0935
109 K N -1.9629
110 K N -2.0110
119 V N 0.2558
120 T N 0.0617
121 V N 0.2067
122 S N 0.0981
123 F N 0.3140
124 R N -0.9884
125 E N -1.9650
126 T N -0.3840
130 A N 0.3862
131 V N 1.8270
132 W N 0.5816
133 I N 0.1934
134 R N -0.2055
135 I N 0.0000
136 A N 0.0000
137 W N 0.0000
138 G N 0.0000
139 T N -0.0259
143 K N -1.7468
144 P N -0.6757
145 N N -0.6691
146 Q N -0.1988
147 Y N 0.0064
148 K N -0.6482
149 P N -0.3739
150 T N 0.0725
151 Y N 0.7393
152 V N 0.3912
153 V N 0.5964
154 Y N 1.4883
155 Y N 0.8417
156 S N -0.2085
157 Q N -1.2225
169 R N -1.3787
170 R N -2.0943
171 N N -0.6730
172 T N -0.1763
173 P N -0.1322
174 L N 0.5737
175 L N 0.0000
176 G N -0.6885
177 Q N -1.2074
178 A N -0.2104
179 L N 0.0000
180 T N 0.2982
181 I N 1.9891
182 A N 0.3908
183 S N -0.4458
184 K N -1.9035
185 H N -1.2942

 

Laboratory of Theory of Biopolymers 2015