Project name: S100A9

Status: done

submitted: 2019-12-02 15:23:27, status changed: 2019-12-24 14:59:40
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Chain sequence(s) A: MTSKMSQLERNIETIINTFHQYSVKLGHPDTLNQGEFKELVRKDLQNFLKKENKNEKVIEHIMEDLDTNADKQLSFEEFIMLMARLTWASHEKMHEGDEGPGHHHKPGLGEGTP
B: MTSKMSQLERNIETIINTFHQYSVKLGHPDTLNQGEFKELVRKDLQNFLKKENKNEKVIEHIMEDLDTNADKQLSFEEFIMLMARLTWASHEKMHEGDEGPGHHHKPGLGEGTP
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-4.3998
Maximal score value
0.8541
Average score
-1.4342
Total score value
-326.9895

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 0.6738
2 T A -0.0189
3 S A -0.5639
4 K A -0.9734
5 M A -1.3695
6 S A -1.7608
7 Q A -2.0094
8 L A 0.0000
9 E A 0.0000
10 R A -2.4075
11 N A -1.9554
12 I A 0.0000
13 E A -1.1466
14 T A -1.0475
15 I A 0.0000
16 I A 0.0000
17 N A -0.5125
18 T A -0.6468
19 F A 0.0000
20 H A 0.0000
21 Q A -1.0825
22 Y A 0.0000
23 S A 0.0000
24 V A -0.7062
25 K A -1.3689
26 L A 0.1601
27 G A -0.6566
28 H A -1.2123
29 P A 0.0000
30 D A -1.3470
31 T A -1.3046
32 L A 0.0000
33 N A -2.0628
34 Q A -2.1173
35 G A -1.7109
36 E A -1.7021
37 F A 0.0000
38 K A -2.9048
39 E A -3.2108
40 L A 0.0000
41 V A 0.0000
42 R A -4.1425
43 K A -3.3768
44 D A 0.0000
45 L A 0.0000
46 Q A -2.7249
47 N A 0.0000
48 F A 0.0000
49 L A 0.0000
50 K A -2.8855
51 K A -3.1010
52 E A -3.2956
53 N A -4.0209
54 K A -3.8695
55 N A -3.4090
56 E A -3.5970
57 K A -3.2472
58 V A -2.2327
59 I A 0.0000
60 E A -3.1270
61 H A -2.7544
62 I A 0.0000
63 M A 0.0000
64 E A -3.6401
65 D A -3.0999
66 L A -1.8321
67 D A 0.0000
68 T A -1.8282
69 N A -2.4635
70 A A -2.4067
71 D A -3.1287
72 K A -3.4510
73 Q A -2.7146
74 L A 0.0000
75 S A -1.1527
76 F A 0.0000
77 E A -0.9160
78 E A 0.0000
79 F A 0.0000
80 I A 0.0000
81 M A -0.4915
82 L A 0.0000
83 M A 0.0000
84 A A 0.0000
85 R A -1.4846
86 L A 0.0000
87 T A 0.0000
88 W A -0.2260
89 A A -0.4413
90 S A 0.0000
91 H A 0.0000
92 E A -1.8792
93 K A -2.2498
94 M A -1.5806
95 H A -3.1099
96 E A -4.3471
97 G A -3.9737
98 D A -4.0726
99 E A -3.6231
100 G A -2.8115
101 P A -2.7756
102 G A -1.9054
103 H A -2.4390
104 H A -3.2798
105 H A -3.3903
106 K A -2.7661
107 P A -1.7215
108 G A -1.2780
109 L A 0.0000
110 G A -1.4932
111 E A 0.0000
112 G A -1.0667
113 T A -0.7534
114 P A -0.4248
1 M B 0.8541
2 T B 0.1213
3 S B -0.2891
4 K B -0.3258
5 M B -1.0563
6 S B -1.5644
7 Q B -2.0279
8 L B 0.0000
9 E B 0.0000
10 R B -2.3943
11 N B -1.9419
12 I B 0.0000
13 E B -1.1290
14 T B -1.0564
15 I B 0.0000
16 I B 0.0000
17 N B -0.5825
18 T B -0.6513
19 F B 0.0000
20 H B 0.0000
21 Q B -0.9885
22 Y B 0.0000
23 S B 0.0000
24 V B -0.6530
25 K B -1.3308
26 L B 0.1789
27 G B -0.6390
28 H B -1.2056
29 P B 0.0000
30 D B -1.3415
31 T B -1.3586
32 L B 0.0000
33 N B -2.2125
34 Q B -2.1967
35 G B -1.5795
36 E B -1.5131
37 F B 0.0000
38 K B -2.7651
39 E B -2.7216
40 L B 0.0000
41 V B 0.0000
42 R B -4.0772
43 K B -3.2279
44 D B 0.0000
45 L B 0.0000
46 Q B -3.1024
47 N B 0.0000
48 F B 0.0000
49 L B -1.8093
50 K B -3.0312
51 K B -3.1236
52 E B -3.3509
53 N B -4.0670
54 K B -3.8701
55 N B -3.3188
56 E B -3.9320
57 K B -3.3960
58 V B -2.3464
59 I B 0.0000
60 E B -3.3771
61 H B -2.9555
62 I B -1.9767
63 M B 0.0000
64 E B -4.3998
65 D B -3.4848
66 L B 0.0000
67 D B -3.1479
68 T B -2.1170
69 N B -2.6793
70 A B -2.7396
71 D B -3.4721
72 K B -4.1363
73 Q B -3.1193
74 L B 0.0000
75 S B -1.2373
76 F B 0.0000
77 E B -1.0401
78 E B 0.0000
79 F B 0.0000
80 I B 0.0000
81 M B -0.4934
82 L B 0.0000
83 M B 0.0000
84 A B 0.0000
85 R B -0.9412
86 L B 0.0000
87 T B 0.0000
88 W B -0.0180
89 A B -0.2703
90 S B 0.0000
91 H B 0.0000
92 E B -1.8604
93 K B -2.2419
94 M B -1.5760
95 H B -3.1211
96 E B -4.3594
97 G B -3.9949
98 D B -4.0809
99 E B -3.6250
100 G B -2.8127
101 P B -2.7803
102 G B -1.9113
103 H B -2.4530
104 H B -3.3169
105 H B -3.4613
106 K B -2.7519
107 P B -1.6397
108 G B 0.0000
109 L B 0.0000
110 G B -1.5120
111 E B 0.0000
112 G B -0.8495
113 T B -0.6961
114 P B -0.3493

 

Laboratory of Theory of Biopolymers 2015