Project name: 5VCU ras related C3 botulium toxin subs 1

Status: done

submitted: 2018-11-15 15:16:20, status changed: 2018-11-15 15:34:18
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Chain sequence(s) A: MESSSIKCVVVGDGAVGKTALLIAYSSGCFPEDYVPTVFDNYNNKNIPYGDGIVSIALYDTAGQQEDYDRLRPLSYPDTDVFLVCFSLENPNNSLENCHSKKWAEELKHYNPDTPIVLVGTKLDLKKDEEYVKKLKEKKISPVTTEQGQEMKDKIKACGYIECSAKTMENLTEAFNMAIDIAMKQRLKDAPP
B: HMESIKCVVVGDGAVGKTALLIAYSSGCFPEDYVPTVFDNYNKNIPYGDGIVSIALYDTAGQEDYYDRLRPLSYPDTDVFLVCFSLENPNSLENCHSKWAEELKHYNPDTPIVLVGTKLDLKKDEEYVKKLKEKKISPVTTEQGQEMKDKIKACGYIECSAKTMMENLTEAFNMAIDIAMKQRLKD
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-4.7209
Maximal score value
1.9647
Average score
-0.9874
Total score value
-365.3248

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 0.4007
2 E A -0.5742
3 S A -0.8433
4 I A 0.0000
5 K A -0.9494
6 C A 0.0000
7 V A 0.0000
8 V A 0.0000
9 V A 0.0000
10 G A 0.0000
11 D A -1.1677
12 G A -0.9841
13 A A -0.3906
14 V A 0.0000
15 G A -0.4578
16 K A 0.0000
17 T A 0.2796
18 A A 0.0756
19 L A 0.0000
20 L A 0.0000
21 I A 0.1048
22 A A 0.0000
23 Y A 0.0000
24 S A -0.3640
25 S A -0.1934
26 G A -0.3580
27 C A -0.1597
28 F A -0.3195
29 P A -0.7511
30 E A -1.9605
31 D A -1.6901
32 Y A 0.5106
33 V A 1.0232
34 P A 0.6544
35 T A 0.4953
36 V A 0.4815
37 F A -0.1943
38 D A -1.9167
39 N A -1.9963
40 Y A -1.4800
41 N A -1.9462
42 K A -1.5392
43 N A -1.4650
44 I A -0.6697
45 P A -0.9907
46 Y A -1.1585
47 G A 0.0000
48 D A -3.1184
49 G A -1.1574
50 I A -0.1107
51 V A 0.0000
52 S A -0.9106
53 I A 0.0000
54 A A -1.1246
55 L A 0.0000
56 Y A -0.5289
57 D A 0.0000
58 T A 0.0000
59 A A 0.0000
60 G A 0.0000
61 Q A -2.3149
62 E A -3.5279
63 D A -3.1546
64 Y A -2.0071
65 D A -2.6049
66 R A -2.1506
67 L A -0.2156
68 R A 0.0000
69 P A 0.0000
70 L A 1.2825
71 S A 0.5316
72 Y A 0.0000
73 P A -0.7947
74 D A -2.1085
75 T A 0.0000
76 D A -1.4108
77 V A 0.0000
78 F A 0.0000
79 L A 0.0000
80 V A 0.0000
81 C A 0.0000
82 F A 0.0000
83 S A 0.0000
84 L A 0.0000
85 E A 0.0000
86 N A -1.2230
87 P A -1.4963
88 N A -2.2407
89 S A 0.0000
90 L A 0.0000
91 E A -2.9886
92 N A -2.4184
93 C A 0.0000
94 H A -2.3033
95 S A -1.8287
96 K A -1.9850
97 W A 0.0000
98 A A -2.4074
99 E A -3.0477
100 E A -2.1220
101 L A 0.0000
102 K A -3.0938
103 H A -2.2543
104 Y A -0.6727
105 N A -1.8083
106 P A -2.2071
107 D A -2.3281
108 T A -1.5928
109 P A -0.9891
110 I A 0.0000
111 V A 0.0000
112 L A 0.0000
113 V A 0.0000
114 G A 0.0000
115 T A 0.0000
116 K A -1.3974
117 L A 0.0000
118 D A -1.8618
119 L A -1.6157
120 K A -1.8448
121 K A -2.8488
122 D A -3.0858
123 E A -4.0117
124 E A -4.0405
125 Y A -3.0151
126 V A -3.2474
127 K A -4.7209
128 K A -4.5667
129 L A 0.0000
130 K A -4.3713
131 E A -4.6016
132 K A -4.2305
133 K A -3.7137
134 I A -2.1989
135 S A -1.5907
136 P A -0.5706
137 V A 0.0000
138 T A -1.1415
139 T A -1.3509
140 E A -2.6849
141 Q A -2.5266
142 G A 0.0000
143 Q A -2.0989
144 E A -3.1676
145 M A 0.0000
146 K A 0.0000
147 D A -2.7795
148 K A -2.7307
149 I A 0.0000
150 K A -2.4006
151 A A -1.1322
152 C A -0.3471
153 G A 0.0000
154 Y A 0.0000
155 I A 0.0000
156 E A -0.6236
157 C A 0.0000
158 S A 0.0000
159 A A -0.9288
160 K A -1.6658
161 T A -1.1093
162 M A -0.9529
163 E A -2.1550
164 N A -1.3671
165 L A 0.0000
166 T A -0.5236
167 E A -0.6598
168 A A 0.0000
169 F A 0.0000
170 N A -0.4661
171 M A -0.0708
172 A A 0.0000
173 I A 0.0000
174 D A -0.5209
175 I A -0.1826
176 A A 0.0000
177 M A 0.0000
178 K A -1.0504
179 Q A -1.6485
180 R A -1.4590
181 L A -0.5014
182 K A -2.3717
183 D A -2.5919
184 A A -1.2448
185 P A -0.8120
186 P A -0.6511
0 H B -0.8486
1 M B 0.0774
2 E B -0.4510
3 S B -0.5040
4 I B 0.0000
5 K B -0.8927
6 C B 0.0000
7 V B 0.0000
8 V B 0.0000
9 V B 0.0000
10 G B 0.0000
11 D B -1.2598
12 G B -1.0112
13 A B -0.3255
14 V B 0.0000
15 G B -0.2823
16 K B 0.0000
17 T B 0.4654
18 A B 0.0905
19 L B 0.0000
20 L B 0.0000
21 I B 0.2071
22 A B 0.0000
23 Y B 0.0000
24 S B -0.5100
25 S B -0.2660
26 G B -0.1770
27 C B 0.2649
28 F B -0.1666
29 P B -0.6158
30 E B -2.1090
31 D B -1.8121
32 Y B 0.3103
33 V B 0.9849
34 P B 1.2950
35 T B 1.2659
36 V B 1.9647
37 F B 1.3489
38 D B -0.5734
39 N B -1.0094
40 Y B -1.0334
41 N B -1.8436
42 K B -1.6857
43 N B -1.4884
44 I B -0.7338
45 P B -1.0248
46 Y B -1.1503
47 G B 0.0000
48 D B -2.9679
49 G B -1.3003
50 I B -0.2833
51 V B 0.0000
52 S B -0.8293
53 I B 0.0000
54 A B -0.9195
55 L B 0.0000
56 Y B -0.1574
57 D B 0.0000
58 T B 0.0000
59 A B -0.3024
60 G B -1.4762
61 Q B -2.7384
62 E B -3.6661
63 D B -3.2098
64 Y B -1.9908
65 D B -2.3051
66 R B -2.0767
67 L B -0.2431
68 R B 0.0000
69 P B 0.0000
70 L B 1.3974
71 S B 0.5241
72 Y B 0.0000
73 P B -0.7055
74 D B -2.0895
75 T B 0.0000
76 D B -1.3371
77 V B 0.0000
78 F B 0.0000
79 L B 0.0000
80 V B 0.0000
81 C B 0.0000
82 F B 0.0000
83 S B 0.0000
84 L B 0.0000
85 E B -0.8289
86 N B -1.3099
87 P B -1.5397
88 N B -2.2211
89 S B 0.0000
90 L B 0.0000
91 E B -2.9871
92 N B -2.4429
93 C B 0.0000
94 H B -2.5474
95 S B -1.8775
96 K B -2.1164
97 W B 0.0000
98 A B 0.0000
99 E B -2.9665
100 E B 0.0000
101 L B 0.0000
102 K B -2.8961
103 H B -1.9562
104 Y B -0.1413
105 N B -1.5588
106 P B -2.0579
107 D B -2.3151
108 T B -1.5300
109 P B 0.0000
110 I B 0.0000
111 V B 0.0000
112 L B 0.0000
113 V B 0.0000
114 G B 0.0000
115 T B 0.0000
116 K B -1.2595
117 L B 0.0000
118 D B -1.9150
119 L B -1.6505
120 K B -1.9823
121 K B -2.9820
122 D B -3.2355
123 E B -3.9860
124 E B -3.9221
125 Y B -2.6920
126 V B -3.3197
127 K B -4.3299
128 K B -4.2647
129 L B 0.0000
130 K B -4.5937
131 E B -4.6546
132 K B -4.2504
133 K B -3.7549
134 I B -2.2920
135 S B -1.6655
136 P B -0.6883
137 V B 0.0000
138 T B -1.0811
139 T B -1.2370
140 E B -2.5141
141 Q B -2.5098
142 G B 0.0000
143 Q B -2.3858
144 E B -3.8890
145 M B 0.0000
146 K B 0.0000
147 D B -3.1917
148 K B -3.3400
149 I B 0.0000
150 K B -2.6740
151 A B -1.2093
152 C B -0.3187
153 G B 0.0000
154 Y B 0.0000
155 I B 0.0000
156 E B 0.0000
157 C B 0.0000
158 S B 0.0000
159 A B -0.8844
160 K B -1.7843
161 T B -1.1059
162 M B -1.0382
163 E B -2.3957
164 N B -1.4296
165 L B 0.0000
166 T B -0.5975
167 E B -0.6995
168 A B 0.0000
169 F B 0.0000
170 N B -0.4658
171 M B -0.0601
172 A B 0.0000
173 I B 0.0000
174 D B -0.6087
175 I B -0.2847
176 A B 0.0000
177 M B 0.0000
178 K B -1.3523
179 Q B -1.9865
180 R B -1.5350
181 L B -0.5543
182 K B -2.3817
183 D B -2.5232

 

Laboratory of Theory of Biopolymers 2015