Project name: ricin

Status: done

submitted: 2018-11-30 01:08:21, status changed: 2018-11-30 01:22:01
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Chain sequence(s) A: IFPKQYPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVGLPINQRFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEAITHLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYYYSTGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPSVITLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIALMVYRCAPPPSSQF
B: ADVCMDPEPIVRIVGRNGLCVDVRDGRFHNGNAIQLWPCKSNTDANQLWTLKRDNTIRSNGKCLTTYGYSPGVYVMIYDCNTAATDATRWQIWDNGTIINPRSSLVLAATSGNSGTTLTVQTNIYAVSQGWLPTNNTQPFVTTIVGLYGLCLQANSGQVWIEDCSSEKAEQQWALYADGSIRPQQNRDNCLTSDSNIRETVVKILSCGPASSGQRWMFKNDGTILNLYSGLVLDVRASDPSLKQIILYPLHGDPNQIWLPLF
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-3.5142
Maximal score value
2.0846
Average score
-0.638
Total score value
-337.512

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 I A 2.0846
2 F A 0.4358
3 P A -0.7717
4 K A -2.4527
5 Q A -2.0541
6 Y A 0.0000
7 P A -0.4101
8 I A 0.2041
9 I A 0.0000
10 N A -1.3474
11 F A 0.0000
12 T A -0.8669
13 T A 0.0000
14 A A -0.9929
15 G A -0.6963
16 A A -0.7531
17 T A -1.0659
18 V A -0.9106
19 Q A -1.6981
20 S A -1.2596
21 Y A 0.0000
22 T A -1.4623
23 N A -1.9708
24 F A 0.0000
25 I A 0.0000
26 R A -2.6171
27 A A -1.7934
28 V A 0.0000
29 R A -1.7122
30 G A -1.8778
31 R A -1.9033
32 L A 0.0000
33 T A -0.7659
34 T A -0.6857
35 G A -0.6696
36 A A -0.2749
37 D A -0.1863
38 V A 0.3649
39 R A 0.0000
40 H A 0.0000
41 E A -0.4768
42 I A 0.0000
43 P A -0.0966
44 V A 0.0000
45 L A 0.0000
46 P A -0.7301
47 N A -0.8221
48 R A -1.4384
49 V A 0.4329
50 G A -0.1306
51 L A -0.3623
52 P A -0.1512
53 I A -0.4306
54 N A -0.9236
55 Q A -1.1921
56 R A -0.7866
57 F A 0.0000
58 I A 0.0000
59 L A -0.1076
60 V A 0.0000
61 E A -1.2051
62 L A 0.0000
63 S A -1.0791
64 N A 0.0000
65 H A -1.6937
66 A A -1.3843
67 E A -2.0736
68 L A -0.8783
69 S A -1.0042
70 V A 0.0000
71 T A -0.6878
72 L A 0.0000
73 A A 0.0000
74 L A 0.0000
75 D A 0.0000
76 V A 0.0000
77 T A 0.0000
78 N A -0.5838
79 A A 0.0000
80 Y A -0.0348
81 V A 0.0000
82 V A 0.1589
83 G A 0.0000
84 Y A 0.0000
85 R A -1.3705
86 A A 0.0000
87 G A -1.0079
88 N A -2.5890
89 S A -1.9971
90 A A 0.0000
91 Y A -0.3796
92 F A 0.0000
93 F A 0.0000
94 H A -1.1415
95 P A -2.1528
96 D A -2.7557
97 N A -2.8171
98 Q A -3.1773
99 E A -3.4669
100 D A -2.9075
101 A A -2.4929
102 E A -2.7678
103 A A 0.0000
104 I A -0.6896
105 T A -0.5188
106 H A -0.2530
107 L A 0.0000
108 F A -1.0977
109 T A -1.3512
110 D A -2.5184
111 V A -2.6455
112 Q A -2.9290
113 N A -2.8988
114 R A -2.5678
115 Y A -0.1072
116 T A 0.0005
117 F A 0.0000
118 A A 0.0113
119 F A -0.7581
120 G A -1.6099
121 G A 0.0000
122 N A -2.2707
123 Y A 0.0000
124 D A -3.0177
125 R A -3.0882
126 L A 0.0000
127 E A -1.9019
128 Q A -2.1628
129 L A -1.0094
130 A A -0.8468
131 G A -1.1472
132 N A -0.9536
133 L A -0.3287
134 R A 0.0000
135 E A -1.7712
136 N A -1.8733
137 I A 0.0000
138 E A -2.0502
139 L A 0.0000
140 G A 0.0000
141 N A -1.8863
142 G A -1.8196
143 P A 0.0000
144 L A 0.0000
145 E A -1.6088
146 E A -2.1032
147 A A 0.0000
148 I A 0.0000
149 S A -0.7366
150 A A -0.4712
151 L A 0.0000
152 Y A 0.1952
153 Y A 0.5403
154 Y A 0.1540
155 S A -0.2426
156 T A -0.2343
157 G A -0.6291
158 G A -0.6139
159 T A -0.5328
160 Q A -0.9578
161 L A 0.0480
162 P A -0.5359
163 T A -0.4477
164 L A 0.0000
165 A A 0.0000
166 R A -0.7660
167 S A 0.0000
168 F A 0.0000
169 I A 0.0000
170 I A 0.0000
171 C A 0.0000
172 I A 0.0000
173 Q A 0.0000
174 M A 0.0000
175 I A 0.0000
176 S A 0.0000
177 E A 0.0000
178 A A 0.0000
179 A A 0.0000
180 R A 0.0000
181 F A 0.0000
182 Q A -0.4083
183 Y A 0.0000
184 I A 0.0000
185 E A 0.0000
186 G A -0.2116
187 E A 0.0000
188 M A 0.0000
189 R A -1.3720
190 T A -0.9854
191 R A 0.0000
192 I A 0.0000
193 R A -2.0009
194 Y A -1.1154
195 N A -2.6440
196 R A -3.5142
197 R A -3.1763
198 S A -2.2522
199 A A -1.6792
200 P A 0.0000
201 D A -1.4041
202 P A -1.2597
203 S A 0.0000
204 V A 0.0000
205 I A -0.4299
206 T A -0.5754
207 L A 0.0000
208 E A 0.0000
209 N A -1.0043
210 S A 0.0000
211 W A 0.0000
212 G A -1.3614
213 R A -1.9984
214 L A 0.0000
215 S A 0.0000
216 T A -1.1241
217 A A -0.8970
218 I A 0.0000
219 Q A 0.0000
220 E A -1.2589
221 S A 0.0000
222 N A -1.4849
223 Q A -0.9858
224 G A 0.0000
225 A A 0.0000
226 F A 0.0000
227 A A -0.1653
228 S A -0.0886
229 P A -0.5042
230 I A -0.7314
231 Q A -1.4718
232 L A 0.0000
233 Q A -1.8075
234 R A -1.8657
235 R A -1.7643
236 N A -2.3379
237 G A -1.9557
238 S A -2.0131
239 K A -2.3072
240 F A -1.1827
241 S A -1.0090
242 V A 0.0000
243 Y A -0.1583
244 D A 0.0000
245 V A 0.0000
246 S A -0.0487
247 I A 0.4315
248 L A 0.0000
249 I A 0.0000
250 P A 0.0000
251 I A 0.0000
252 I A 0.0000
253 A A 0.0000
254 L A 0.0000
255 M A 0.0000
256 V A -0.5307
257 Y A -0.6681
258 R A -1.2644
259 C A 0.0000
260 A A -0.4184
261 P A -0.4909
262 P A -0.2907
263 P A -0.3497
264 S A -0.4779
265 S A -0.4275
266 Q A -0.1764
267 F A 0.5564
1 A B -0.5478
2 D B -1.2245
3 V B -0.0824
4 C B 0.0000
5 M B -0.1019
6 D B -2.0367
7 P B -1.3841
8 E B -1.1805
9 P B 0.0000
10 I B 1.7931
11 V B 0.0000
12 R B 0.0000
13 I B 0.0000
14 V B 0.0000
15 G B 0.0000
16 R B 0.0000
17 N B -1.0559
18 G B -0.2968
19 L B -0.1977
20 C B 0.0000
21 V B 0.0000
22 D B 0.0000
23 V B 0.0000
24 R B -1.7929
25 D B -2.6676
26 G B -2.3168
27 R B -2.8129
28 F B -1.8982
29 H B -1.6449
30 N B -1.5283
31 G B -0.6575
32 N B 0.0000
33 A B 0.0000
34 I B 0.0000
35 Q B 0.0000
36 L B 0.0000
37 W B 0.1524
38 P B -0.0932
39 C B -0.3619
40 K B -0.9396
41 S B -1.2445
42 N B -1.7571
43 T B -1.2598
44 D B -1.6229
45 A B -1.0747
46 N B 0.0000
47 Q B 0.0000
48 L B 0.0052
49 W B 0.0000
50 T B -0.0319
51 L B 0.0000
52 K B -1.8918
53 R B -3.0835
54 D B -2.2605
55 N B -2.3539
56 T B 0.0000
57 I B 0.0000
58 R B -0.8003
59 S B 0.0000
60 N B -1.7720
61 G B -1.3388
62 K B -1.4520
63 C B 0.0000
64 L B 0.0000
65 T B 0.0000
66 T B 0.0000
67 Y B 1.5198
68 G B 0.8276
69 Y B 0.1948
70 S B -0.1280
71 P B -0.4504
72 G B -0.2135
73 V B 0.5850
74 Y B 0.6346
75 V B 0.0000
76 M B 0.0000
77 I B 0.0000
78 Y B -0.6191
79 D B -1.2506
80 C B -1.0336
81 N B -1.3555
82 T B -0.8123
83 A B 0.0000
84 A B -0.5890
85 T B -1.1623
86 D B -2.1609
87 A B 0.0000
88 T B 0.0000
89 R B -1.8198
90 W B 0.0000
91 Q B -0.8449
92 I B 0.0000
93 W B -0.1413
94 D B -0.4966
95 N B -0.4391
96 G B -0.1673
97 T B 0.0000
98 I B 0.0000
99 I B 0.0000
100 N B 0.0000
101 P B -1.5729
102 R B -2.1557
103 S B -1.1966
104 S B -0.7014
105 L B 0.0000
106 V B 0.0000
107 L B 0.0000
108 A B 0.0000
109 A B 0.0000
110 T B -0.4084
111 S B -0.7566
112 G B -0.9600
113 N B -1.4889
114 S B -0.7618
115 G B -0.6607
116 T B -0.4912
117 T B -0.1372
118 L B 0.0000
119 T B 0.1536
120 V B 0.0000
121 Q B -0.3015
122 T B -0.1750
123 N B 0.4061
124 I B 1.4165
125 Y B 1.0618
126 A B 0.0000
127 V B 0.0000
128 S B -0.1041
129 Q B 0.0000
130 G B 0.0000
131 W B 0.0000
132 L B 0.1228
133 P B 0.0000
134 T B 0.0000
135 N B -0.6163
136 N B -1.1323
137 T B -1.0450
138 Q B -1.3175
139 P B -0.5050
140 F B 0.1404
141 V B 0.1113
142 T B 0.0000
143 T B -0.0768
144 I B 0.0000
145 V B 0.3591
146 G B 0.2622
147 L B 0.0000
148 Y B 0.5431
149 G B 0.0029
150 L B -0.2912
151 C B 0.0000
152 L B 0.0000
153 Q B 0.0000
154 A B -1.6309
155 N B -1.9030
156 S B -1.7708
157 G B -1.4408
158 Q B -2.1549
159 V B 0.0000
160 W B -1.2352
161 I B 0.0000
162 E B -1.5495
163 D B -1.9554
164 C B -1.4513
165 S B -1.6402
166 S B -1.7215
167 E B -2.5813
168 K B -2.3756
169 A B -1.6704
170 E B -2.2325
171 Q B 0.0000
172 Q B -1.3802
173 W B 0.0000
174 A B 0.0000
175 L B 0.1529
176 Y B -0.0014
177 A B -0.1034
178 D B 0.0000
179 G B -0.0057
180 S B 0.0000
181 I B 0.0000
182 R B 0.0000
183 P B -1.8171
184 Q B -1.8774
185 Q B -2.5892
186 N B -2.9291
187 R B -2.5554
188 D B -2.9149
189 N B -2.1415
190 C B 0.0000
191 L B 0.0000
192 T B 0.0000
193 S B 0.0000
194 D B -2.1965
195 S B 0.0000
196 N B -1.0398
197 I B 0.1789
198 R B -1.4386
199 E B -2.3813
200 T B -1.9246
201 V B -1.2705
202 V B 0.0000
203 K B -1.3473
204 I B 0.0000
205 L B -0.4068
206 S B -1.1366
207 C B 0.0000
208 G B -1.1867
209 P B -0.5202
210 A B 0.0000
211 S B -0.1894
212 S B 0.1332
213 G B 0.0000
214 Q B 0.0000
215 R B 0.0000
216 W B 0.0000
217 M B -0.0415
218 F B 0.0000
219 K B -0.8704
220 N B -1.3355
221 D B -1.9975
222 G B -0.9022
223 T B 0.0000
224 I B 0.0000
225 L B 0.4366
226 N B 0.0000
227 L B 0.0000
228 Y B 1.1977
229 S B 0.3662
230 G B 0.2099
231 L B 0.0000
232 V B 0.0000
233 L B 0.0000
234 D B 0.0000
235 V B 0.0000
236 R B -2.0660
237 A B -0.8729
238 S B -0.9231
239 D B -1.1972
240 P B -1.2325
241 S B -1.0896
242 L B -0.9935
243 K B -2.2171
244 Q B -2.0265
245 I B 0.0000
246 I B 0.0000
247 L B 0.0000
248 Y B -0.0082
249 P B 0.2389
250 L B 0.4072
251 H B -1.0658
252 G B -1.6108
253 D B -2.1139
254 P B -1.1376
255 N B -0.9911
256 Q B 0.0000
257 I B -0.3199
258 W B 0.0000
259 L B 0.1679
260 P B 0.0000
261 L B 0.1713
262 F B 0.0000

 

Laboratory of Theory of Biopolymers 2015