Project name: 1ND6

Status: done

submitted: 2018-02-20 14:44:41, status changed: 2018-02-20 15:13:18
Settings
Chain sequence(s) A: KELKFVTLVFRHGDRSPIDTFPTDPIKESSWPQGFGQLTQLGMEQHYELGEYIRKRYRKFLNESYKHEQVYIRSTDVDRTLMSAMTNLAALFPPEGVSIWNPILLWQPIPVHTVPLSEDQLLYLPFRNCPRFQELESETLKSEEFQKRLHPYKDFIATLGKLSGLHGQDLFGIWSKVYDPLYCESVHNFTLPSWATEDTMTKLRELSELSLLSLYGIHKQKEKSRLQGGVLVNEILNHMKRATQIPSYKKLIMYSAHDTTVSGLQMALDVYNGLLPPYASCHLTELYFEKGEYFVEMYYRNETQHEPYPLMLPGCSPSCPLERFAELVGPVIPQDWSTECMT
C: KELKFVTLVFRHGDRSPIDTFPTDPIKESSWPQGFGQLTQLGMEQHYELGEYIRKRYRKFLNESYKHEQVYIRSTDVDRTLMSAMTNLAALFPPEGVSIWNPILLWQPIPVHTVPLSEDQLLYLPFRNCPRFQELESETLKSEEFQKRLHPYKDFIATLGKLSGLHGQDLFGIWSKVYDPLYCESVHNFTLPSWATEDTMTKLRELSELSLLSLYGIHKQKEKSRLQGGVLVNEILNHMKRATQIPSYKKLIMYSAHDTTVSGLQMALDVYNGLLPPYASCHLTELYFEKGEYFVEMYYRNETQHEPYPLMLPGCSPSCPLERFAELVGPVIPQDWSTECMT
B: KELKFVTLVFRHGDRSPIDTFPTDPIKESSWPQGFGQLTQLGMEQHYELGEYIRKRYRKFLNESYKHEQVYIRSTDVDRTLMSAMTNLAALFPPEGVSIWNPILLWQPIPVHTVPLSEDQLLYLPFRNCPRFQELESETLKSEEFQKRLHPYKDFIATLGKLSGLHGQDLFGIWSKVYDPLYCESVHNFTLPSWATEDTMTKLRELSELSLLSLYGIHKQKEKSRLQGGVLVNEILNHMKRATQIPSYKKLIMYSAHDTTVSGLQMALDVYNGLLPPYASCHLTELYFEKGEYFVEMYYRNETQHEPYPLMLPGCSPSCPLERFAELVGPVIPQDWSTECMTT
D: KELKFVTLVFRHGDRSPIDTFPTDPIKESSWPQGFGQLTQLGMEQHYELGEYIRKRYRKFLNESYKHEQVYIRSTDVDRTLMSAMTNLAALFPPEGVSIWNPILLWQPIPVHTVPLSEDQLLYLPFRNCPRFQELESETLKSEEFQKRLHPYKDFIATLGKLSGLHGQDLFGIWSKVYDPLYCESVHNFTLPSWATEDTMTKLRELSELSLLSLYGIHKQKEKSRLQGGVLVNEILNHMKRATQIPSYKKLIMYSAHDTTVSGLQMALDVYNGLLPPYASCHLTELYFEKGEYFVEMYYRNETQHEPYPLMLPGCSPSCPLERFAELVGPVIPQDWSTECMT
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-4.3147
Maximal score value
2.3671
Average score
-0.6817
Total score value
-933.2052

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 K A -3.0449
2 E A -2.8366
3 L A -1.3981
4 K A -0.9847
5 F A 0.0000
6 V A 0.0000
7 T A 0.0000
8 L A 0.0000
9 V A 0.0000
10 F A 0.0000
11 R A 0.0000
12 H A 0.0000
13 G A 0.0000
14 D A 0.0000
15 R A 0.0000
16 S A 0.0000
17 P A 0.0000
18 I A 0.4637
19 D A -0.6078
20 T A -0.6797
21 F A 0.0000
22 P A -0.2788
23 T A -0.1423
24 D A 0.0000
25 P A -0.4866
26 I A 0.0000
27 K A -1.5312
28 E A -1.4139
29 S A -1.1741
30 S A 0.0000
31 W A 0.0000
32 P A -0.6935
33 Q A -0.8527
34 G A -0.6429
35 F A -0.0549
36 G A 0.0000
37 Q A 0.0000
38 L A 0.0000
39 T A 0.0000
40 Q A -0.5130
41 L A -0.3462
42 G A 0.0000
43 M A 0.0000
44 E A -1.8017
45 Q A -1.2333
46 H A 0.0000
47 Y A -0.9141
48 E A -1.4598
49 L A 0.0000
50 G A 0.0000
51 E A -1.8450
52 Y A -1.6413
53 I A 0.0000
54 R A -3.3744
55 K A -3.4919
56 R A -2.4076
57 Y A 0.0000
58 R A -4.3147
59 K A -3.6317
60 F A 0.0000
61 L A -2.7634
62 N A -3.4222
63 E A -3.2216
64 S A -2.1340
65 Y A 0.0000
66 K A -1.5808
67 H A -1.0837
68 E A -1.4487
69 Q A -1.3816
70 V A 0.0000
71 Y A -0.2908
72 I A 0.0000
73 R A -0.3445
74 S A 0.0000
75 T A 0.0000
76 D A -0.2834
77 V A -0.0431
78 D A -0.4197
79 R A -0.3421
80 T A 0.0000
81 L A 0.0000
82 M A 0.0000
83 S A 0.0000
84 A A 0.0000
85 M A 0.0000
86 T A 0.0000
87 N A 0.0000
88 L A 0.0000
89 A A 0.0000
90 A A 0.0000
91 L A 0.0000
92 F A 0.0000
93 P A -0.4141
94 P A 0.0000
95 E A -1.5046
96 G A -0.3772
97 V A 1.1603
98 S A 0.3439
99 I A 0.6798
100 W A 0.0000
101 N A 0.4128
102 P A 0.7925
103 I A 2.2581
104 L A 0.0000
105 L A 1.5674
106 W A 0.0000
107 Q A 0.0000
108 P A 0.0000
109 I A 0.0000
110 P A 0.0000
111 V A 0.0000
112 H A -0.3576
113 T A 0.0000
114 V A 0.0000
115 P A -0.4484
116 L A -0.1950
117 S A -0.9753
118 E A -1.3176
119 D A 0.0000
120 Q A -1.2271
121 L A 0.0000
122 L A 0.0000
123 Y A 0.0644
124 L A 0.0000
125 P A -0.4417
126 F A 0.0000
127 R A -2.4722
128 N A -2.0171
129 C A 0.0000
130 P A -1.5050
131 R A -1.4463
132 F A 0.0000
133 Q A -2.9569
134 E A -2.3726
135 L A 0.0000
136 E A -2.0451
137 S A -1.7021
138 E A -2.6689
139 T A 0.0000
140 L A -1.6227
141 K A -2.7624
142 S A 0.0000
143 E A -3.9492
144 E A -3.8503
145 F A 0.0000
146 Q A -3.5156
147 K A -4.1623
148 R A -3.6718
149 L A 0.0000
150 H A -2.5592
151 P A -1.8095
152 Y A -1.5846
153 K A -1.5015
154 D A -1.9472
155 F A -0.9071
156 I A 0.0000
157 A A -0.8769
158 T A -0.5562
159 L A 0.0000
160 G A 0.0000
161 K A -0.5810
162 L A 0.2086
163 S A 0.0000
164 G A -0.1140
165 L A -0.4112
166 H A -1.0040
167 G A -1.5574
168 Q A -1.6247
169 D A -1.8548
170 L A 0.0000
171 F A -0.0979
172 G A -0.6142
173 I A 0.0000
174 W A 0.0000
175 S A -0.1719
176 K A -0.5552
177 V A 0.0000
178 Y A 0.0000
179 D A -0.2838
180 P A 0.0000
181 L A 0.0000
182 Y A 0.1594
183 C A 0.0000
184 E A 0.0000
185 S A -0.2004
186 V A 0.1382
187 H A -0.5099
188 N A -1.1626
189 F A -0.5351
190 T A -0.4452
191 L A -0.0490
192 P A -0.0037
193 S A -0.5926
194 W A -0.5225
195 A A -0.5734
196 T A -1.6834
197 E A -2.7462
198 D A -2.9234
199 T A -1.8449
200 M A -1.6720
201 T A -2.0253
202 K A -2.0059
203 L A 0.0000
204 R A -1.7604
205 E A -1.5874
206 L A 0.0000
207 S A 0.0000
208 E A -0.5891
209 L A 0.0000
210 S A 0.0000
211 L A 0.0000
212 L A 0.1522
213 S A -0.0131
214 L A 0.0000
215 Y A 0.0000
216 G A 0.0000
217 I A -0.8141
218 H A -2.1846
219 K A -2.8073
220 Q A -2.3820
221 K A -3.0068
222 E A -2.4047
223 K A 0.0000
224 S A 0.0000
225 R A -1.3038
226 L A 0.0000
227 Q A 0.0000
228 G A 0.0000
229 G A 0.0000
230 V A -0.3236
231 L A 0.0000
232 V A 0.0000
233 N A -0.9035
234 E A -1.2009
235 I A 0.0000
236 L A 0.0000
237 N A -1.7002
238 H A -1.6421
239 M A 0.0000
240 K A -2.1549
241 R A -2.0902
242 A A 0.0000
243 T A -1.1230
244 Q A -1.2474
245 I A 0.2695
246 P A -0.1318
247 S A -0.3061
248 Y A -0.5941
249 K A -1.0506
250 K A -0.9069
251 L A 0.0000
252 I A 0.0000
253 M A 0.0000
254 Y A 0.0000
255 S A 0.0000
256 A A 0.0000
257 H A 0.0000
258 D A -0.1304
259 T A 0.0225
260 T A 0.0000
261 V A 0.0000
262 S A 0.0000
263 G A 0.0000
264 L A 0.0000
265 Q A 0.0000
266 M A 0.0000
267 A A 0.0000
268 L A 0.0000
269 D A -1.7985
270 V A -0.6724
271 Y A -0.5968
272 N A -1.0836
273 G A -0.2976
274 L A 0.2037
275 L A 0.0021
276 P A 0.0000
277 P A -0.2197
278 Y A -0.1960
279 A A -0.5465
280 S A 0.0000
281 C A 0.0000
282 H A 0.0000
283 L A 0.0000
284 T A 0.0000
285 E A 0.0000
286 L A 0.0000
287 Y A -0.8421
288 F A -1.6258
289 E A -2.8410
290 K A -2.9293
291 G A -1.7644
292 E A -1.8182
293 Y A -1.1856
294 F A -0.3526
295 V A 0.0000
296 E A 0.0000
297 M A 0.0000
298 Y A 0.4265
299 Y A 0.0000
300 R A 0.0000
301 N A -1.3422
302 E A -2.4199
303 T A -2.2262
304 Q A -2.5813
305 H A -2.7128
306 E A -2.5256
307 P A 0.0000
308 Y A 0.5257
309 P A 0.4096
310 L A 0.0000
311 M A 0.4130
312 L A 0.0000
313 P A -0.5045
314 G A -0.4610
315 C A -0.2705
316 S A -0.3048
317 P A -0.1292
318 S A -0.0672
319 C A 0.0000
320 P A -0.7345
321 L A 0.0000
322 E A -2.6757
323 R A -2.1547
324 F A 0.0000
325 A A -1.8559
326 E A -2.4650
327 L A -1.1984
328 V A 0.0000
329 G A -1.0245
330 P A -1.0253
331 V A 0.0000
332 I A -0.7411
333 P A -1.1128
334 Q A -1.7920
335 D A -1.8158
336 W A -0.6749
337 S A -0.6555
338 T A -0.5113
339 E A -0.7400
340 C A 0.0000
341 M A 0.6049
342 T A -0.1827
1000 K B -3.4150
1001 E B -3.0639
1002 L B -1.6258
1003 K B -1.4047
1004 F B 0.0000
1005 V B 0.0000
1006 T B 0.0000
1007 L B 0.0000
1008 V B 0.0000
1009 F B 0.0000
1010 R B 0.0000
1011 H B 0.0000
1012 G B 0.0000
1013 D B 0.0000
1014 R B 0.0000
1015 S B 0.0000
1016 P B 0.0000
1017 I B 0.2806
1018 D B -0.7917
1019 T B 0.0000
1020 F B 0.0000
1021 P B -0.5764
1022 T B -0.5554
1023 D B 0.0000
1024 P B -0.7334
1025 I B 0.0000
1026 K B -1.9749
1027 E B -1.9438
1028 S B -1.2738
1029 S B -1.0072
1030 W B 0.0000
1031 P B -0.4700
1032 Q B -0.8147
1033 G B -0.9493
1034 F B -0.3034
1035 G B 0.0629
1036 Q B 0.0000
1037 L B 0.0000
1038 T B 0.0000
1039 Q B -0.2618
1040 L B -0.2400
1041 G B 0.0000
1042 M B 0.0000
1043 E B -1.7798
1044 Q B -1.2554
1045 H B 0.0000
1046 Y B -0.9798
1047 E B -1.5052
1048 L B 0.0000
1049 G B 0.0000
1050 E B -1.8645
1051 Y B 0.0000
1052 I B 0.0000
1053 R B -2.9980
1054 K B -3.3837
1055 R B -2.4383
1056 Y B 0.0000
1057 R B -4.1517
1058 K B -3.5367
1059 F B -2.4750
1060 L B -2.6253
1061 N B -3.2689
1062 E B -3.0509
1063 S B -1.8968
1064 Y B -1.1749
1065 K B -1.6708
1066 H B -1.1062
1067 E B -1.4644
1068 Q B -1.3675
1069 V B 0.0000
1070 Y B -0.3447
1071 I B 0.0000
1072 R B -0.4663
1073 S B 0.0000
1074 T B 0.0000
1075 D B -0.1913
1076 V B -0.0261
1077 D B -0.4550
1078 R B -0.3722
1079 T B 0.0000
1080 L B 0.0000
1081 M B 0.0000
1082 S B 0.0000
1083 A B 0.0000
1084 M B 0.0000
1085 T B 0.0000
1086 N B 0.0000
1087 L B 0.0000
1088 A B 0.0000
1089 A B 0.0000
1090 L B 0.0000
1091 F B 0.0000
1092 P B -0.5014
1093 P B 0.0000
1094 E B -1.4173
1095 G B -0.4122
1096 V B 1.1360
1097 S B 0.2229
1098 I B 0.4778
1099 W B 0.0000
1100 N B 0.3612
1101 P B 0.6995
1102 I B 2.2179
1103 L B 0.0000
1104 L B 1.3025
1105 W B 0.0000
1106 Q B -0.1844
1107 P B 0.0000
1108 I B 0.0000
1109 P B 0.0000
1110 V B 0.0000
1111 H B -0.4052
1112 T B 0.0000
1113 V B 0.0000
1114 P B -0.4958
1115 L B -0.1625
1116 S B -1.2386
1117 E B -1.9487
1118 D B 0.0000
1119 Q B -1.4555
1120 L B 0.0000
1121 L B 0.0000
1122 Y B -0.0936
1123 L B 0.0000
1124 P B -0.5318
1125 F B 0.0000
1126 R B -2.7510
1127 N B -2.6769
1128 C B 0.0000
1129 P B -1.5679
1130 R B -1.9490
1131 F B 0.0000
1132 Q B -2.6073
1133 E B -2.0603
1134 L B 0.0000
1135 E B -1.4576
1136 S B -1.3852
1137 E B -1.9427
1138 T B 0.0000
1139 L B -0.5152
1140 K B -2.1620
1141 S B 0.0000
1142 E B -3.4604
1143 E B -2.8974
1144 F B 0.0000
1145 Q B -3.1814
1146 K B -3.7031
1147 R B -2.9450
1148 L B 0.0000
1149 H B -3.2209
1150 P B -2.1191
1151 Y B -2.1949
1152 K B -3.0187
1153 D B -2.6300
1154 F B -1.2207
1155 I B 0.0000
1156 A B -1.5395
1157 T B -1.0259
1158 L B 0.0000
1159 G B -1.3220
1160 K B -1.7859
1161 L B -0.6690
1162 S B 0.0000
1163 G B -1.0137
1164 L B -0.7927
1165 H B -1.7741
1166 G B -1.8040
1167 Q B -2.4910
1168 D B -2.3390
1169 L B 0.0000
1170 F B 0.1009
1171 G B -0.7033
1172 I B 0.0000
1173 W B -0.3595
1174 S B -0.0412
1175 K B -0.4805
1176 V B 0.0000
1177 Y B 0.0000
1178 D B 0.0000
1179 P B 0.0000
1180 L B 0.0000
1181 Y B 0.4352
1182 C B 0.0000
1183 E B 0.0000
1184 S B 0.0786
1185 V B 0.3825
1186 H B -0.3302
1187 N B -0.8909
1188 F B -0.0077
1189 T B -0.0673
1190 L B 0.2222
1191 P B 0.1160
1192 S B -0.0504
1193 W B -0.2791
1194 A B -0.5222
1195 T B -1.4760
1196 E B -2.7427
1197 D B -2.9080
1198 T B -1.8149
1199 M B -1.6148
1200 T B -2.0325
1201 K B -1.8995
1202 L B 0.0000
1203 R B -1.6520
1204 E B -1.5549
1205 L B 0.0000
1206 S B 0.0000
1207 E B -0.4432
1208 L B 0.0000
1209 S B 0.0000
1210 L B 0.0000
1211 L B 0.3345
1212 S B 0.1125
1213 L B 0.0000
1214 Y B 0.0000
1215 G B 0.0000
1216 I B -0.4720
1217 H B -1.4104
1218 K B -1.9076
1219 Q B -1.9705
1220 K B -2.7088
1221 E B -2.4983
1222 K B 0.0000
1223 S B 0.0000
1224 R B -1.4531
1225 L B 0.0000
1226 Q B 0.0000
1227 G B 0.0000
1228 G B 0.0000
1229 V B -0.3449
1230 L B 0.0000
1231 V B 0.0000
1232 N B -0.9586
1233 E B -1.0703
1234 I B 0.0000
1235 L B 0.0000
1236 N B -1.7761
1237 H B -1.3256
1238 M B 0.0000
1239 K B -1.7381
1240 R B -1.2378
1241 A B -1.0872
1242 T B -0.8973
1243 Q B -0.9766
1244 I B 0.0000
1245 P B -0.6535
1246 S B -0.8079
1247 Y B -0.8406
1248 K B -1.1224
1249 K B -0.9272
1250 L B 0.0000
1251 I B 0.0000
1252 M B 0.0000
1253 Y B 0.0000
1254 S B 0.0000
1255 A B 0.0000
1256 H B 0.0000
1257 D B -0.1768
1258 T B -0.0130
1259 T B 0.0000
1260 V B 0.0000
1261 S B 0.0000
1262 G B 0.0000
1263 L B 0.0000
1264 Q B 0.0000
1265 M B 0.0000
1266 A B 0.0000
1267 L B 0.0000
1268 D B -1.8056
1269 V B -0.7116
1270 Y B -0.5229
1271 N B -1.0073
1272 G B -0.2048
1273 L B 0.4069
1274 L B 0.1351
1275 P B 0.0000
1276 P B 0.0394
1277 Y B -0.0468
1278 A B -0.3740
1279 S B 0.0000
1280 C B 0.0000
1281 H B 0.0000
1282 L B 0.0000
1283 T B 0.0000
1284 E B 0.0000
1285 L B 0.0000
1286 Y B -1.3018
1287 F B -2.0026
1288 E B -3.6077
1289 K B -3.2624
1290 G B -1.9605
1291 E B -1.9705
1292 Y B -1.3462
1293 F B -0.7975
1294 V B 0.0000
1295 E B 0.0000
1296 M B 0.0000
1297 Y B 0.3033
1298 Y B 0.0000
1299 R B 0.0000
1300 N B -0.6231
1301 E B -1.4148
1302 T B -1.7143
1303 Q B -2.2096
1304 H B -2.3861
1305 E B -2.4091
1306 P B 0.0000
1307 Y B 0.2605
1308 P B 0.2734
1309 L B 0.3418
1310 M B 0.4308
1311 L B 0.0000
1312 P B -0.5062
1313 G B -0.6349
1314 C B -0.4949
1315 S B -0.4046
1316 P B -0.1051
1317 S B 0.0330
1318 C B 0.0000
1319 P B 0.0000
1320 L B 0.0000
1321 E B -2.7602
1322 R B -3.0527
1323 F B 0.0000
1324 A B -2.1454
1325 E B -2.6794
1326 L B -1.2414
1327 V B 0.0000
1328 G B -1.1270
1329 P B -0.9986
1330 V B 0.0000
1331 I B -0.8231
1332 P B -1.2468
1333 Q B -1.8427
1334 D B -1.8853
1335 W B -0.7941
1336 S B -0.8283
1337 T B -0.6046
1338 E B -0.9465
1339 C B 0.0000
1340 M B 0.4532
1341 T B -0.3261
1342 T B -0.1110
2000 K C -2.9143
2001 E C -2.7326
2002 L C -1.3518
2003 K C -0.9099
2004 F C 0.0000
2005 V C 0.0000
2006 T C 0.0000
2007 L C 0.0000
2008 V C 0.0000
2009 F C 0.0000
2010 R C 0.0000
2011 H C 0.0000
2012 G C 0.0000
2013 D C 0.0000
2014 R C 0.0000
2015 S C 0.0000
2016 P C 0.0000
2017 I C 0.0540
2018 D C -1.1863
2019 T C -1.0157
2020 F C 0.0000
2021 P C -0.6631
2022 T C -0.5951
2023 D C 0.0000
2024 P C -0.5848
2025 I C -0.6530
2026 K C -1.8111
2027 E C -2.0171
2028 S C -1.2679
2029 S C -0.9340
2030 W C 0.0000
2031 P C -0.6911
2032 Q C -0.9069
2033 G C -1.0030
2034 F C -0.3424
2035 G C -0.0142
2036 Q C 0.0000
2037 L C 0.0000
2038 T C 0.0000
2039 Q C -0.6802
2040 L C -0.3630
2041 G C 0.0000
2042 M C 0.0000
2043 E C -1.9018
2044 Q C -1.2350
2045 H C 0.0000
2046 Y C -0.8588
2047 E C -1.3521
2048 L C 0.0000
2049 G C 0.0000
2050 E C -1.3818
2051 Y C -1.3896
2052 I C 0.0000
2053 R C -2.8750
2054 K C -3.0376
2055 R C -2.2664
2056 Y C 0.0000
2057 R C -4.0804
2058 K C -3.5769
2059 F C -2.4804
2060 L C -2.5350
2061 N C -3.3144
2062 E C -2.9590
2063 S C -1.7496
2064 Y C -0.9277
2065 K C -1.3470
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3300 N D -1.3328
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3333 Q D -1.8109
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3338 E D -0.7696
3339 C D 0.0000
3340 M D 0.7563
3341 T D 0.0236

 

Laboratory of Theory of Biopolymers 2015