Project name: 5JLY peroxiredoxin 1

Status: done

submitted: 2018-11-15 14:49:55, status changed: 2018-11-15 15:02:43
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Chain sequence(s) A: MVLIPNKPAPEFHGCAVIDGDFKEINLKDYSGKYVVLFFYPADFTFVCPTEIIAFSDEVDQFKSRNCQVIACSTDSKYSHLAWTKQDRKSGGLGDMRIPLLADPTKSIARAYGVLDEEEGNAFRGLFIIDPKGILRQITVNDKPVGRSVDETLRLLDAFQFVEKYGE
C: MVLIPNKPAPEFHGCAVIDGDFKEINLKDYSGKYVVLFFYPADFTFVCPTEIIAFSDEVDQFKSRNCQVIACSTDSKYSHLAWTKQDRKSGGLGDMRIPLLADPTKSIARAYGVLDEEEGNAFRGLFIIDPKGILRQITVNDKPVGRSVDETLRLLDAFQFVEKYG
B: MVLIPNKPAPEFHGCAVIDGDFKEINLKDYSGKYVVLFFYPADFTFVCPTEIIAFSDEVDQFKSRNCQVIACSTDSKYSHLAWTKQDRKSGGLGDMRIPLLADPTKSIARAYGVLDEEEGNAFRGLFIIDPKGILRQITVNDKPVGRSVDETLRLLDAFQFVEKYGE
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-3.7413
Maximal score value
2.9767
Average score
-0.7831
Total score value
-391.5545

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 2.0705
2 V A 2.9767
3 L A 1.3661
4 I A 0.2832
5 P A 0.0000
6 N A -2.0126
7 K A -2.1674
8 P A -1.7206
9 A A 0.0000
10 P A -1.1102
11 E A -2.4465
12 F A 0.0000
13 H A -2.3380
14 G A -1.3490
15 C A -1.3704
16 A A 0.0000
17 V A 0.0000
18 I A -1.8910
19 D A -3.0264
20 G A -2.4934
21 D A -2.5729
22 F A -1.3832
23 K A -2.5659
24 E A -2.9402
25 I A 0.0000
26 N A -2.6935
27 L A 0.0000
28 K A -3.5648
29 D A -3.2070
30 Y A -2.1785
31 S A -2.3008
32 G A -1.9831
33 K A -2.3719
34 Y A 0.0000
35 V A 0.0000
36 V A 0.0000
37 L A 0.0000
38 F A 0.0000
39 F A 0.0000
40 Y A 0.0000
41 P A -0.1673
42 A A 0.2674
43 D A 0.0000
44 F A 2.0427
45 T A 1.9375
46 F A 2.2741
47 V A 1.3562
48 C A 0.8531
49 P A 0.0000
50 T A 0.2791
51 E A 0.0000
52 I A 0.0000
53 I A -0.7026
54 A A -0.3380
55 F A 0.0000
56 S A 0.0000
57 D A -2.1610
58 E A -2.4618
59 V A -2.3794
60 D A -3.2391
61 Q A -2.5580
62 F A 0.0000
63 K A -3.0922
64 S A -2.0487
65 R A -2.0383
66 N A -2.0002
67 C A 0.0000
68 Q A -1.0154
69 V A 0.0000
70 I A 0.0000
71 A A 0.0000
72 C A 0.0000
73 S A 0.0000
74 T A -0.5578
75 D A -0.4684
76 S A -0.1640
77 K A 0.0509
78 Y A 1.1067
79 S A 0.5925
80 H A 0.0000
81 L A -0.3787
82 A A -0.2031
83 W A 0.0000
84 T A -1.8302
85 K A -2.6844
86 Q A -2.4743
87 D A -3.2308
88 R A -2.9495
89 K A -2.7126
90 S A -1.3900
91 G A -0.2867
92 G A 0.0000
93 L A 0.0000
94 G A 0.0000
95 D A -3.2928
96 M A -2.3600
97 R A -2.9367
98 I A 0.0000
99 P A 0.0000
100 L A 0.0000
101 L A 0.0000
102 A A 0.0000
103 D A 0.0000
104 P A -0.7031
105 T A -0.7283
106 K A -1.4376
107 S A -1.0768
108 I A -1.1232
109 A A 0.0000
110 R A -2.1827
111 A A -0.8242
112 Y A 0.0000
113 G A 0.2366
114 V A 0.0000
115 L A 0.0000
116 D A -2.7626
117 E A -3.7413
118 E A -3.7015
119 E A -3.4259
120 G A -2.3625
121 N A -1.7796
122 A A 0.0000
123 F A 0.0000
124 R A 0.0000
125 G A 0.0000
126 L A 0.0000
127 F A 0.0000
128 I A 0.0000
129 I A 0.0000
130 D A 0.0000
131 P A -1.7217
132 K A -2.2313
133 G A -2.0669
134 I A -1.2787
135 L A 0.0000
136 R A -0.8335
137 Q A 0.0000
138 I A 0.0000
139 T A -0.0110
140 V A 0.0000
141 N A 0.0000
142 D A 0.0000
143 K A -0.7421
144 P A -0.5016
145 V A 0.0000
146 G A -0.1309
147 R A 0.0000
148 S A -0.8959
149 V A 0.0000
150 D A -2.2347
151 E A -1.7495
152 T A 0.0000
153 L A 0.0000
154 R A -1.5901
155 L A 0.0000
156 L A 0.0000
157 D A -1.2423
158 A A -0.4511
159 F A 0.0000
160 Q A -0.7465
161 F A 0.3111
162 V A -0.5261
163 E A -1.7741
164 K A -1.5710
165 Y A -0.0866
166 G A -0.8951
167 E A -0.9921
1 M B 2.0694
2 V B 2.8292
3 L B 1.2685
4 I B 0.1698
5 P B 0.0000
6 N B -1.8553
7 K B -1.8755
8 P B -1.5668
9 A B 0.0000
10 P B -1.0961
11 E B -2.5444
12 F B 0.0000
13 H B -2.4714
14 G B -1.3670
15 C B -1.3147
16 A B 0.0000
17 V B 0.0000
18 I B -1.5954
19 D B -2.6437
20 G B -2.2435
21 D B -1.7136
22 F B -1.0355
23 K B -2.1207
24 E B -2.4537
25 I B 0.0000
26 N B -2.9534
27 L B 0.0000
28 K B -3.7022
29 D B -3.1454
30 Y B -2.3071
31 S B -2.3992
32 G B -2.0928
33 K B -2.5574
34 Y B 0.0000
35 V B 0.0000
36 V B 0.0000
37 L B 0.0000
38 F B 0.0000
39 F B 0.0000
40 Y B 0.0000
41 P B -0.3655
42 A B 0.4445
43 D B 0.0000
44 F B 1.2162
45 T B 1.8024
46 F B 2.8778
47 V B 2.6432
48 C B 1.7243
49 P B 0.0000
50 T B 0.2758
51 E B -0.0700
52 I B 0.0000
53 I B -0.8563
54 A B -0.7500
55 F B 0.0000
56 S B 0.0000
57 D B -3.0183
58 E B -3.0126
59 V B -2.7300
60 D B -3.5351
61 Q B -2.7226
62 F B 0.0000
63 K B -3.1346
64 S B -2.0416
65 R B -2.0609
66 N B -2.1248
67 C B 0.0000
68 Q B -0.9752
69 V B 0.0000
70 I B 0.0000
71 A B 0.0000
72 C B 0.0000
73 S B 0.0000
74 T B 0.0000
75 D B 0.0000
76 S B -0.3722
77 K B -0.2902
78 Y B 0.5205
79 S B 0.0000
80 H B 0.0000
81 L B -0.5098
82 A B 0.0000
83 W B 0.0000
84 T B -1.5743
85 K B -2.4091
86 Q B -2.1881
87 D B -2.7654
88 R B -2.5861
89 K B -2.4931
90 S B -1.6223
91 G B -0.3996
92 G B 0.0000
93 L B 0.0000
94 G B -2.4963
95 D B -3.1909
96 M B -2.3113
97 R B -3.0428
98 I B 0.0000
99 P B 0.0000
100 L B 0.0000
101 L B 0.0000
102 A B 0.0000
103 D B 0.0000
104 P B -1.1709
105 T B -1.7351
106 K B -1.2174
107 S B -0.9732
108 I B 0.0000
109 A B 0.0000
110 R B -2.1527
111 A B -0.9096
112 Y B 0.0000
113 G B 0.1999
114 V B 0.0000
115 L B -1.6606
116 D B -2.5463
117 E B -3.5487
118 E B -3.5156
119 E B -3.0356
120 G B 0.0000
121 N B -1.5700
122 A B 0.0000
123 F B 0.0000
124 R B -0.3538
125 G B 0.0000
126 L B 0.0000
127 F B 0.0000
128 I B 0.0000
129 I B 0.0000
130 D B 0.0000
131 P B -1.8352
132 K B -2.2937
133 G B -2.0628
134 I B -1.1902
135 L B 0.0000
136 R B -0.8061
137 Q B 0.0000
138 I B 0.0000
139 T B -0.0457
140 V B 0.0000
141 N B 0.0000
142 D B 0.0000
143 K B -0.6912
144 P B -0.4899
145 V B 0.0000
146 G B -0.3349
147 R B 0.0000
148 S B -0.9335
149 V B 0.0000
150 D B -2.2617
151 E B -1.7466
152 T B 0.0000
153 L B 0.0000
154 R B -1.6007
155 L B 0.0000
156 L B 0.0000
157 D B -1.0906
158 A B -0.2320
159 F B 0.0000
160 Q B -0.3526
161 F B 0.8491
162 V B -0.0695
163 E B -1.1818
164 K B -1.0580
165 Y B 0.3048
166 G B -0.4915
167 E B -0.9178
1 M C 1.7500
2 V C 2.8528
3 L C 1.9827
4 I C 1.9058
5 P C -0.3896
6 N C -1.8113
7 K C -1.9099
8 P C -1.5968
9 A C 0.0000
10 P C -1.0420
11 E C -2.5051
12 F C 0.0000
13 H C -2.4076
14 G C -1.4972
15 C C -1.5479
16 A C 0.0000
17 V C 0.0000
18 I C -2.0254
19 D C -3.0814
20 G C -2.7349
21 D C -2.7501
22 F C -1.6570
23 K C -2.9062
24 E C -2.8893
25 I C 0.0000
26 N C -2.7871
27 L C 0.0000
28 K C -3.6305
29 D C -3.0840
30 Y C -2.2478
31 S C -2.3681
32 G C -2.0254
33 K C -2.5744
34 Y C 0.0000
35 V C 0.0000
36 V C 0.0000
37 L C 0.0000
38 F C 0.0000
39 F C 0.0000
40 Y C 0.0000
41 P C 0.0000
42 A C 0.0000
43 D C 0.0000
44 F C 0.9185
45 T C 1.6556
46 F C 2.8593
47 V C 2.7222
48 C C 1.5567
49 P C 0.7579
50 T C 0.3046
51 E C 0.0000
52 I C 0.0000
53 I C -0.8295
54 A C -0.7153
55 F C 0.0000
56 S C 0.0000
57 D C -3.1161
58 E C -3.2342
59 V C 0.0000
60 D C -3.7221
61 Q C -2.8750
62 F C 0.0000
63 K C -3.2460
64 S C -2.1178
65 R C -2.0662
66 N C -2.1808
67 C C 0.0000
68 Q C -0.9699
69 V C 0.0000
70 I C 0.0000
71 A C 0.0000
72 C C 0.0000
73 S C 0.0000
74 T C 0.0000
75 D C 0.0000
76 S C -0.2439
77 K C -0.4037
78 Y C 0.7205
79 S C 0.0000
80 H C 0.0000
81 L C -0.3688
82 A C 0.0000
83 W C 0.0000
84 T C -1.5638
85 K C -2.4189
86 Q C -2.1588
87 D C -2.6417
88 R C -2.4584
89 K C -2.4494
90 S C -1.6393
91 G C -0.6236
92 G C 0.0000
93 L C 0.0000
94 G C -2.4818
95 D C -3.1739
96 M C -2.3396
97 R C -3.1146
98 I C 0.0000
99 P C 0.0000
100 L C 0.0000
101 L C 0.0000
102 A C 0.0000
103 D C 0.0000
104 P C -0.8305
105 T C -1.5736
106 K C -1.0676
107 S C -1.0820
108 I C 0.0000
109 A C 0.0000
110 R C -2.1093
111 A C -0.8250
112 Y C 0.0000
113 G C -0.0165
114 V C 0.0000
115 L C -1.5854
116 D C -2.4815
117 E C -3.6554
118 E C -3.6648
119 E C -3.3564
120 G C 0.0000
121 N C -1.5262
122 A C 0.0000
123 F C 0.1196
124 R C 0.0000
125 G C 0.0000
126 L C 0.0000
127 F C 0.0000
128 I C 0.0000
129 I C 0.0000
130 D C 0.0000
131 P C -1.7852
132 K C -2.2577
133 G C -2.1579
134 I C -1.2785
135 L C 0.0000
136 R C -0.7365
137 Q C 0.0318
138 I C 0.9680
139 T C 0.7224
140 V C 0.8166
141 N C -0.1803
142 D C -1.2942
143 K C -0.5551
144 P C 0.1421
145 V C 0.9687
146 G C 0.2329
147 R C -0.2556
148 S C -0.9964
149 V C -1.5100
150 D C -2.6760
151 E C -2.2300
152 T C 0.0000
153 L C -1.8780
154 R C -2.6546
155 L C -1.1992
156 L C 0.0000
157 D C -1.1427
158 A C -0.0735
159 F C 0.0934
160 Q C -0.3185
161 F C 1.2216
162 V C 1.1264
163 E C -1.1282
164 K C -1.0393
165 Y C 0.7653
166 G C 0.5047

 

Laboratory of Theory of Biopolymers 2015