Project name: NikR

Status: done

submitted: 2017-05-19 17:25:48, status changed: 2017-05-19 17:35:01
Settings
Chain sequence(s) A: SIIRFSVSLQQNLLDELDNRIIKNGYSSRSELVRDMIREKLVEDNPNDESKIAVLVVIYDHHQRELNQRMIDIQHASGTHVLCCTTHIHMDEHNCLETIILQGNSFEIQQRLQLEIGGLRGVKFAKLTKA
B: SIIRFSVSLQQNLLDELDNRIIKNGYSSRSELVRDMIREKLVEDNWAEDNPNDESKIAVLVVIYDHHQRELNQRMIDIQHASGTHVLCTTHIHMDEHNCCLETIILQGNSFEIQRLQLEIGGLRGVKFAKLTKASSFEYN
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-4.0921
Maximal score value
1.3504
Average score
-1.0094
Total score value
-269.5166

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
9 S A -0.3028
10 I A 1.3504
11 I A 0.0435
12 R A -1.3831
13 F A 0.0000
14 S A -1.2584
15 V A 0.0000
16 S A -0.6466
17 L A 0.0000
18 Q A -0.4578
19 Q A -1.3312
20 N A -1.6617
21 L A 0.0000
22 L A 0.0000
23 D A -2.6466
24 E A -2.1380
25 L A 0.0000
26 D A -1.6243
27 N A -1.9515
28 R A 0.0000
29 I A -0.8841
30 I A 0.1719
31 K A -1.7968
32 N A -1.8018
33 G A -0.9309
34 Y A -0.6383
35 S A -0.2865
36 S A -0.6220
37 R A -1.0226
38 S A -1.4473
39 E A -1.6430
40 L A 0.0000
41 V A 0.0000
42 R A -2.6898
43 D A -2.5998
44 M A 0.0000
45 I A 0.0000
46 R A -3.0135
47 E A -3.0788
48 K A 0.0000
49 L A 0.0000
50 V A -0.5436
51 E A -2.4903
52 D A -2.4958
58 N A -1.9556
59 P A -1.8060
60 N A -2.2195
61 D A -3.0149
62 E A -2.9364
63 S A -1.8870
64 K A -1.6592
65 I A 0.0000
66 A A 0.0000
67 V A 0.0000
68 L A 0.0000
69 V A 0.0000
70 V A 0.0000
71 I A 0.0000
72 Y A 0.0000
73 D A -2.2978
74 H A -2.8114
75 H A -2.7647
76 Q A -2.9500
77 R A -3.7571
78 E A -3.8275
79 L A 0.0000
80 N A -2.4836
81 Q A -2.7393
82 R A -3.3326
83 M A 0.0000
84 I A -0.5143
85 D A -1.8306
86 I A 0.0000
87 Q A 0.0000
88 H A -1.4152
89 A A -1.0622
90 S A 0.0000
91 G A -1.0838
92 T A 0.0000
93 H A -1.1059
94 V A 0.2322
95 L A 0.5307
96 C A 0.4593
97 T A 0.1289
98 T A -0.2290
99 H A -0.7292
100 I A -0.4053
101 H A -1.7033
102 M A -1.1969
103 D A -2.2434
104 E A -3.1136
105 H A -2.9613
106 N A 0.0000
107 C A 0.0000
108 L A 0.0000
109 E A 0.0000
110 T A 0.0000
111 I A 0.0000
112 I A 0.0000
113 L A 0.0000
114 Q A -1.2174
115 G A 0.0000
116 N A -1.6186
117 S A -1.3313
118 F A -0.0417
119 E A -0.7745
120 I A 0.0000
121 Q A -0.9630
122 R A -1.5679
123 L A 0.0000
124 Q A -1.1810
125 L A -1.3440
126 E A -2.0284
127 I A 0.0000
128 G A -1.2514
129 G A -1.3722
130 L A -1.6028
131 R A -2.0225
132 G A -1.8836
133 V A -0.8775
134 K A -0.8693
135 F A 0.0000
136 A A -0.6859
137 K A -0.9814
138 L A 0.0000
139 T A 0.0000
140 K A -1.7183
141 A A -1.0743
9 S B 0.2769
10 I B 1.1281
11 I B 0.1579
12 R B -1.3972
13 F B 0.0000
14 S B -1.2273
15 V B 0.0000
16 S B -0.9564
17 L B 0.0000
18 Q B -1.6892
19 Q B -2.4778
20 N B -2.8978
21 L B 0.0000
22 L B 0.0000
23 D B -3.7104
24 E B -3.5297
25 L B 0.0000
26 D B -1.9058
27 N B -1.7786
28 R B -1.6964
29 I B -0.7254
30 I B 0.4602
31 K B -1.6224
32 N B -1.1908
33 G B -0.6536
34 Y B -0.5148
35 S B -0.1670
36 S B -0.4120
37 R B -0.7927
38 S B -0.9528
39 E B -0.8357
40 L B -0.7488
41 V B 0.0000
42 R B -1.0557
43 D B -1.1012
44 M B 0.0000
45 I B 0.0000
46 R B -1.0499
47 E B -1.5361
48 K B -1.3474
49 L B 0.0000
50 V B 0.0000
51 E B -1.5502
52 D B -1.3435
53 N B -1.3696
54 W B 0.0000
55 A B -1.1257
56 E B -2.0489
57 D B 0.0000
58 N B -2.0325
59 P B -1.9573
60 N B -2.3763
61 D B -2.2947
62 E B -2.8723
63 S B -1.6464
64 K B 0.0000
65 I B 0.0000
66 A B 0.0000
67 V B 0.0000
68 L B 0.0000
69 V B 0.0000
70 V B 0.0000
71 I B 0.0000
72 Y B 0.0000
73 D B -2.8445
74 H B -3.0188
75 H B -2.8873
76 Q B -3.0260
77 R B -3.8623
78 E B -4.0921
79 L B 0.0000
80 N B -3.3024
81 Q B -3.1989
82 R B -3.5983
83 M B 0.0000
84 I B -1.4216
85 D B -2.5341
86 I B 0.0000
87 Q B -1.7526
88 H B -1.7059
89 A B -0.9526
90 S B -1.4881
91 G B -1.3063
92 T B 0.0000
93 H B -1.0063
94 V B 0.6118
95 L B 1.0075
96 C B 0.6332
97 T B 0.1980
98 T B -0.3132
99 H B -0.8584
100 I B -0.5983
101 H B -1.9064
102 M B -1.2952
103 D B -2.4070
104 E B -3.2335
105 H B -2.8800
106 N B -2.3315
107 C B 0.0000
108 L B 0.0000
109 E B 0.0000
110 T B 0.0000
111 I B 0.0000
112 I B 0.0000
113 L B 0.0000
114 Q B -0.8136
115 G B 0.0000
116 N B 0.0000
117 S B 0.0000
118 F B -0.5086
119 E B -1.1206
120 I B 0.0000
121 Q B -1.1021
122 R B -1.9702
123 L B 0.0000
124 Q B -1.0823
125 L B -0.5608
126 E B -1.8822
127 I B 0.0000
128 G B -1.4541
129 G B -1.3314
130 L B -1.7335
131 R B -2.2487
132 G B -2.0273
133 V B -1.4833
134 K B -1.9360
135 F B -0.9672
136 A B -1.0264
137 K B -1.5566
138 L B -0.6191
139 T B 0.0000
140 K B -0.8700
141 A B 0.0000
142 S B 0.0000
143 S B -0.7509
144 F B 0.0000
145 E B 0.0000
146 Y B 0.0000
147 N B -1.6198

 

Laboratory of Theory of Biopolymers 2015