Project name: Herceptin

Status: done

submitted: 2018-11-26 00:13:47, status changed: 2018-11-26 00:24:36
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Chain sequence(s) A: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-4.0497
Maximal score value
2.1306
Average score
-0.7576
Total score value
-328.8107

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 D A -2.1852
2 I A -1.6944
3 Q A -2.0871
4 M A 0.0000
5 T A -1.3495
6 Q A 0.0000
7 S A -0.8430
8 P A -0.5589
9 S A -0.7655
10 S A -0.6508
11 L A -0.5683
12 S A -1.0648
13 A A -1.0705
14 S A -0.8972
15 V A 0.2493
16 G A -0.5507
17 D A -1.5890
18 R A -2.3076
19 V A 0.0000
20 T A -0.6413
21 I A 0.0000
22 T A -0.8624
23 C A 0.0000
24 R A -2.8731
25 A A 0.0000
26 S A -2.1784
27 Q A -2.8743
28 D A -2.8617
29 V A 0.0000
30 N A -2.0300
31 T A -1.0968
32 A A 0.0183
33 V A 0.0000
34 A A 0.0000
35 W A 0.0000
36 Y A 0.0000
37 Q A 0.0000
38 Q A 0.0000
39 K A -1.7274
40 P A -1.5121
41 G A -1.7502
42 K A -2.5810
43 A A -1.7005
44 P A 0.0000
45 K A -1.8983
46 L A 0.0000
47 L A 0.0000
48 I A 0.0000
49 Y A 1.2030
50 S A 0.3940
51 A A 0.0000
52 S A 0.5145
53 F A 2.1306
54 L A 1.4698
55 Y A 0.5940
56 S A -0.0166
57 G A -0.4715
58 V A 0.0000
59 P A -0.3623
60 S A -0.3871
61 R A -0.7342
62 F A 0.0000
63 S A 0.1083
64 G A -0.1189
65 S A -1.1218
66 R A -2.6711
67 S A -1.6837
68 G A -2.0541
69 T A -2.3769
70 D A -2.0198
71 F A 0.0000
72 T A -1.0136
73 L A 0.0000
74 T A -0.6393
75 I A 0.0000
76 S A -1.4440
77 S A -1.0934
78 L A 0.0000
79 Q A -0.9348
80 P A -1.5260
81 E A -1.5537
82 D A 0.0000
83 F A 0.0000
84 A A 0.0000
85 T A -0.7049
86 Y A 0.0000
87 Y A 0.0000
88 C A 0.0000
89 Q A 0.0000
90 Q A 0.0000
91 H A 0.5681
92 Y A 0.6583
93 T A 0.0956
94 T A -0.2133
95 P A -0.5495
96 P A 0.0000
97 T A -0.5573
98 F A -0.4894
99 G A 0.0000
100 Q A -1.7310
101 G A 0.0000
102 T A 0.0000
103 K A -1.1647
104 V A 0.0000
105 E A -1.5434
106 I A 0.0000
107 K A -1.6612
108 R A -1.2403
109 T A -0.2636
110 V A 0.2800
111 A A -0.0342
112 A A -0.0228
113 P A 0.0000
114 S A -0.1251
115 V A 0.0000
116 F A 0.0000
117 I A 0.0000
118 F A 0.0000
119 P A -0.7082
120 P A 0.0000
121 S A -1.5696
122 D A -2.9500
123 E A -2.9428
124 Q A 0.0000
125 L A -2.2609
126 K A -2.7899
127 S A -1.7784
128 G A -1.4988
129 T A -1.1419
130 A A 0.0000
131 S A 0.0000
132 V A 0.0000
133 V A 0.0000
134 C A 0.0000
135 L A 0.0000
136 L A 0.0000
137 N A 0.0000
138 N A -0.9197
139 F A 0.0000
140 Y A 0.0000
141 P A -1.8426
142 R A -2.9478
143 E A -3.2383
144 A A -2.4426
145 K A -2.6688
146 V A -1.6315
147 Q A -1.3784
148 W A 0.0000
149 K A -1.1664
150 V A 0.0000
151 D A -2.3103
152 N A -1.7530
153 A A -0.4051
154 L A 0.5022
155 Q A -0.4211
156 S A -0.7112
157 G A -1.1108
158 N A -1.2214
159 S A -1.4566
160 Q A -1.6114
161 E A -2.1931
162 S A -1.0838
163 V A -1.0444
164 T A -1.1614
165 E A -2.3260
166 Q A 0.0000
167 D A -2.1497
168 S A -2.2124
169 K A -2.6925
170 D A -2.2332
171 S A 0.0000
172 T A 0.0000
173 Y A -1.4289
174 S A 0.0000
175 L A 0.0000
176 S A 0.0000
177 S A 0.0000
178 T A -0.7336
179 L A 0.0000
180 T A -0.6459
181 L A -0.9748
182 S A -1.3680
183 K A -2.4901
184 A A -2.3729
185 D A -3.2290
186 Y A 0.0000
187 E A -3.9989
188 K A -4.0497
189 H A -3.5748
190 K A -3.5278
191 V A -1.8308
192 Y A 0.0000
193 A A 0.0000
194 C A 0.0000
195 E A -1.3429
196 V A 0.0000
197 T A -1.3338
198 H A 0.0000
199 Q A -1.7561
200 G A -0.3397
201 L A -0.1627
202 S A -0.4196
203 S A -0.4237
204 P A -0.6930
205 V A -0.1960
206 T A -0.7268
207 K A -1.0398
208 S A -1.0457
209 F A 0.0000
210 N A -2.2124
211 R A -2.9370
212 G A -2.3018
213 E A -2.3324
214 C A -0.6298
1 E B -2.0722
2 V B -1.4261
3 Q B -1.5161
4 L B 0.0000
5 V B 0.1440
6 E B 0.0000
7 S B -0.6227
8 G B -0.8871
9 G B -0.7265
10 G B -0.4163
11 L B -0.1973
12 V B 0.0000
13 Q B -1.6839
14 P B -1.5282
15 G B -1.4371
16 G B -1.2149
17 S B -1.4079
18 L B -1.2364
19 R B -2.1519
20 L B 0.0000
21 S B -0.5903
22 C B 0.0000
23 A B -0.4307
24 A B 0.0000
25 S B -1.1800
26 G B -1.3340
27 F B -1.5261
28 N B -2.4907
29 I B 0.0000
30 K B -2.7925
31 D B -3.0666
32 T B 0.0000
33 Y B -0.2717
34 I B 0.0000
35 H B 0.0000
36 W B 0.0000
37 V B 0.0000
38 R B 0.0000
39 Q B -0.8128
40 A B -1.1662
41 P B -0.9646
42 G B -1.4759
43 K B -2.4061
44 G B -1.6752
45 L B 0.0000
46 E B -1.1037
47 W B 0.0000
48 V B 0.0000
49 A B 0.0000
50 R B -0.2580
51 I B 0.0000
52 Y B -0.2837
53 P B 0.0000
54 T B -1.2342
55 N B -0.9303
56 G B -0.4767
57 Y B 0.6984
58 T B 0.0089
59 R B -1.0444
60 Y B -1.3978
61 A B -1.6604
62 D B -2.5283
63 S B -1.8159
64 V B 0.0000
65 K B -2.7247
66 G B -1.8076
67 R B -1.4953
68 F B 0.0000
69 T B -1.1607
70 I B 0.0000
71 S B -0.2615
72 A B -0.9104
73 D B -1.6356
74 T B -1.7089
75 S B -1.6290
76 K B -2.2909
77 N B -1.8857
78 T B 0.0000
79 A B 0.0000
80 Y B 0.0000
81 L B 0.0000
82 Q B -1.5611
83 M B 0.0000
84 N B -1.6071
85 S B -1.4058
86 L B 0.0000
87 R B -2.7087
88 A B -1.8875
89 E B -2.3522
90 D B 0.0000
91 T B -0.7892
92 A B 0.0000
93 V B 0.1517
94 Y B 0.0000
95 Y B 0.0000
96 C B 0.0000
97 S B 0.0000
98 R B -0.1142
99 W B 0.0000
100 G B 0.0000
101 G B -1.3251
102 D B -2.1682
103 G B -1.0211
104 F B -0.1185
105 Y B 0.6919
106 A B 0.0000
107 M B 0.0000
108 D B -0.2052
109 Y B -0.6277
110 W B -0.6908
111 G B 0.0000
112 Q B -1.5827
113 G B -0.7426
114 T B -0.1831
115 L B 0.0987
116 V B 0.0000
117 T B -0.5380
118 V B 0.0000
119 S B -0.8738
120 S B -0.7131
121 A B -0.4793
122 S B -0.6011
123 T B -0.6475
124 K B -1.0868
125 G B -1.3266
126 P B -0.5731
127 S B -0.4544
128 V B 0.0000
129 F B 0.0000
130 P B -1.0934
131 L B 0.0000
132 A B -0.8224
133 P B 0.0000
134 S B -0.7894
135 S B -0.9936
136 K B -1.6510
137 S B 0.0000
138 T B -0.8659
139 S B -0.7666
140 G B -0.8144
141 G B -0.8824
142 T B -0.6106
143 A B 0.0000
144 A B 0.0000
145 L B 0.0000
146 G B 0.0000
147 C B 0.0000
148 L B 0.0000
149 V B 0.0000
150 K B 0.0000
151 D B -0.3739
152 Y B 0.0000
153 F B 0.0000
154 P B 0.0000
155 E B -0.4182
156 P B -0.6169
157 V B -0.4068
158 T B -0.5066
159 V B -0.2613
160 S B -0.3342
161 W B 0.0000
162 N B -0.8005
163 S B -0.6583
164 G B -0.5144
165 A B -0.2483
166 L B -0.0217
167 T B -0.1721
168 S B -0.1662
169 G B -0.1877
170 V B 0.1873
171 H B -0.3221
172 T B -0.1486
173 F B 0.0000
174 P B -0.4012
175 A B 0.1620
176 V B 0.3758
177 L B 0.9518
178 Q B 0.2122
179 S B -0.1036
180 S B -0.2149
181 G B -0.0045
182 L B 0.1096
183 Y B 0.4230
184 S B 0.2397
185 L B 0.0000
186 S B 0.0000
187 S B 0.0000
188 V B 0.0000
189 V B 0.0000
190 T B -0.1238
191 V B 0.0000
192 P B -0.6046
193 S B -0.6323
194 S B -0.5384
195 S B -0.5135
196 L B -0.6500
197 G B -0.9804
198 T B -0.6722
199 Q B -1.1353
200 T B -1.0755
201 Y B 0.0000
202 I B -1.3456
203 C B 0.0000
204 N B 0.0000
205 V B 0.0000
206 N B -1.7275
207 H B 0.0000
208 K B -2.6791
209 P B -1.5507
210 S B -1.8140
211 N B -2.4056
212 T B -2.0203
213 K B -2.6716
214 V B -1.7828
215 D B -2.5786
216 K B -2.2942
217 K B -2.4855
218 V B 0.0000
219 E B -1.9915
220 P B -0.8849

 

Laboratory of Theory of Biopolymers 2015