Project name: 2AFW

Status: done

submitted: 2018-02-20 13:30:08, status changed: 2018-02-20 13:43:42
Settings
Chain sequence(s) A: ASAWPEEKNYHQPAILNSSALRQIAEGTSISEMWQNDLQPLLIERYPGSPGSYAARQHIMQRIQRLQADWVLEIDTFLSQTPYGYRSFSNIISTLNPTAKRHLVLACHYDSKYFSHWNNRVFVGATDSAVPCAMMLELARALDKKLLSLKPDLSLQLIFFDGEEAFLHWSPQDSLYGSRHLAAKMASTPHPPGARGTSQLHGMDLLVLLDLIGAPNPTFPNFFPNSARWFERLQAIEHELHELGLLKDHSLEGRYFQNYSYGGVIQDDHIPFLRRGVPVLHLIPSPFPEVWHTMDDNEENLDESTIDNLNKILQVFVLEYLHL
B: ASAWPEEKNYHQPAILNSSALRQIAEGTSISEMWQNDLQPLLIERYPGSPGSYAARQHIMQRIQRLQADWVLEIDTFLSQTPYGYRSFSNIISTLNPTAKRHLVLACHYDSKYFSHWNNRVFVGATDSAVPCAMMLELARALDKKLLSLKPDLSLQLIFFDGEEAFLHWSPQDSLYGSRHLAAKMASTPHPPGARGTSQLHGMDLLVLLDLIGAPNPTFPNFFPNSARWFERLQAIEHELHELGLLKDHSLEGRYFQNYSYGGVIQDDHIPFLRRGVPVLHLIPSPFPEVWHTMDDNEENLDESTIDNLNKILQVFVLEYLHL
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-3.0289
Maximal score value
1.5028
Average score
-0.6048
Total score value
-390.6693

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
33 A A -0.2463
34 S A -0.3060
35 A A -0.5926
36 W A 0.0000
37 P A -1.3381
38 E A -1.9237
39 E A -1.9785
40 K A -1.5552
41 N A -1.8065
42 Y A -0.2621
43 H A -0.9369
44 Q A -1.1428
45 P A 0.0000
46 A A 0.3970
47 I A 1.5028
48 L A 0.1875
49 N A -1.2391
50 S A -1.2073
51 S A -1.2517
52 A A -1.2136
53 L A 0.0000
54 R A -2.3621
55 Q A -2.5496
56 I A 0.0000
57 A A 0.0000
58 E A -2.6193
59 G A -1.6386
60 T A 0.0000
61 S A -0.7347
62 I A -0.6655
63 S A -1.1063
64 E A -1.4565
65 M A 0.0000
66 W A -1.3764
67 Q A -1.8564
68 N A -1.3688
69 D A 0.0000
70 L A 0.0000
71 Q A -1.1183
72 P A -0.5740
73 L A 0.0000
74 L A -0.0339
75 I A 0.4037
76 E A 0.0564
77 R A 0.0000
78 Y A 0.3662
79 P A 0.0000
80 G A -0.6046
81 S A 0.0000
82 P A 0.0954
83 G A 0.1286
84 S A 0.0000
85 Y A 0.7950
86 A A 0.1603
87 A A 0.0000
88 R A -0.3773
89 Q A -1.1053
90 H A -1.0929
91 I A 0.0000
92 M A -1.5866
93 Q A -2.4776
94 R A -2.0028
95 I A 0.0000
96 Q A -2.7829
97 R A -3.0093
98 L A -2.4171
99 Q A -2.4120
100 A A 0.0000
101 D A -2.3540
102 W A -1.3505
103 V A -0.2000
104 L A -0.4309
105 E A -1.1021
106 I A -0.0615
107 D A 0.0000
108 T A -0.1672
109 F A 0.0000
110 L A 0.0000
111 S A -0.8916
112 Q A -0.9966
113 T A -0.1866
114 P A 0.3734
115 Y A 1.2062
116 G A 0.1127
117 Y A -0.1264
118 R A -0.8953
119 S A -1.1000
120 F A 0.0000
121 S A 0.0000
122 N A 0.0000
123 I A 0.0000
124 I A 0.0000
125 S A 0.0000
126 T A 0.0000
127 L A 0.0000
128 N A -1.1572
129 P A -0.4883
130 T A -0.5954
131 A A -0.8682
132 K A -1.0556
133 R A 0.0000
134 H A 0.0000
135 L A 0.0000
136 V A 0.0000
137 L A 0.0000
138 A A 0.0000
139 C A 0.0000
140 H A 0.0000
141 Y A 0.0000
142 D A 0.0000
143 S A 0.0000
144 K A 0.0000
145 Y A 0.7196
146 F A 0.3730
147 S A -0.5554
148 H A -1.4598
149 W A -0.8914
150 N A -2.0908
151 N A -2.5290
152 R A -2.5243
153 V A -0.9939
154 F A 0.0000
155 V A 0.0000
156 G A 0.0000
157 A A 0.0000
158 T A 0.0000
159 D A 0.0000
160 S A 0.0000
161 A A 0.0000
162 V A 0.0000
163 P A 0.0000
164 C A 0.0000
165 A A 0.0000
166 M A 0.0000
167 M A 0.0000
168 L A 0.0000
169 E A 0.0000
170 L A 0.0000
171 A A 0.0000
172 R A -1.0761
173 A A -0.8638
174 L A 0.0000
175 D A 0.0000
176 K A -2.2654
177 K A -1.4527
178 L A 0.0000
179 L A -1.7870
180 S A -1.4078
181 L A -1.3241
182 K A -2.0785
189 P A -1.1412
190 D A -1.6236
191 L A 0.0000
192 S A 0.0000
193 L A 0.0000
194 Q A -0.0512
195 L A 0.0000
196 I A 0.0000
197 F A 0.0000
198 F A 0.0000
199 D A 0.0000
200 G A 0.0000
201 E A 0.0000
202 E A 0.0000
203 A A 0.0000
204 F A 0.0000
205 L A 1.0853
206 H A -0.2161
207 W A -0.1526
208 S A -0.5503
209 P A -0.9114
210 Q A -1.4856
211 D A 0.0000
212 S A 0.0000
213 L A 0.0000
214 Y A 0.0000
215 G A 0.0000
216 S A 0.0000
217 R A -0.8778
218 H A -0.7322
219 L A 0.0000
220 A A 0.0000
221 A A -0.7673
222 K A -1.1170
223 M A 0.0000
224 A A -0.6226
225 S A -0.4984
226 T A -0.4060
227 P A 0.0000
228 H A 0.0000
229 P A -0.8177
230 P A -0.8640
231 G A -1.0892
232 A A -1.3359
233 R A -2.0812
234 G A -1.2116
235 T A -0.8096
236 S A 0.0000
237 Q A -0.6285
238 L A 0.0000
239 H A -0.9422
240 G A 0.0000
241 M A 0.0000
242 D A 0.0000
243 L A 0.0000
244 L A 0.0000
245 V A 0.0000
246 L A 0.0000
247 L A 0.0000
248 D A 0.0000
249 L A 0.0000
250 I A 0.0000
251 G A 0.0000
252 A A -1.0679
253 P A -1.4221
254 N A -1.5476
255 P A 0.0000
256 T A -0.6165
257 F A 0.0000
258 P A 0.0000
259 N A -0.6404
260 F A 0.3110
261 F A -0.3213
262 P A -0.9004
263 N A -1.6104
264 S A 0.0000
265 A A -1.3552
266 R A -1.9527
267 W A 0.0000
268 F A 0.0000
269 E A -2.5351
270 R A -1.2348
271 L A 0.0000
272 Q A -1.5479
273 A A -1.1944
274 I A 0.0000
275 E A 0.0000
276 H A -1.6311
277 E A -2.5462
278 L A 0.0000
279 H A -2.1604
280 E A -2.5061
281 L A -1.5113
282 G A -1.5207
283 L A -1.4086
284 L A -1.6789
285 K A -2.8175
286 D A -2.7341
287 H A -2.1271
288 S A -1.7000
289 L A -1.1390
290 E A -1.9725
291 G A -1.8417
292 R A -1.4542
293 Y A 0.0000
294 F A 0.0000
295 Q A -1.3505
296 N A -1.5403
297 Y A -0.2586
298 S A -0.1712
299 Y A 0.5722
300 G A 0.0684
301 G A 0.3258
302 V A 1.4526
303 I A 0.6006
304 Q A -0.3083
305 D A 0.0000
306 D A 0.0000
307 H A 0.0000
308 I A 0.0000
309 P A 0.0000
310 F A 0.0000
311 L A -1.0487
312 R A -2.3915
313 R A -2.2544
314 G A -1.5659
315 V A 0.0000
316 P A -0.8841
317 V A 0.0000
318 L A 0.0000
319 H A 0.0000
320 L A 0.0000
321 I A 0.0000
322 P A 0.0000
323 S A 0.0810
324 P A -0.3074
325 F A -0.0534
326 P A 0.0000
327 E A -1.8930
328 V A -1.2186
329 W A -0.4938
330 H A -0.3949
331 T A -0.7233
332 M A -0.9802
333 D A -2.6129
334 D A 0.0000
335 N A -1.6651
336 E A -2.2952
337 E A -2.9591
338 N A -2.5534
339 L A 0.0000
340 D A -1.9577
341 E A -2.4743
342 S A -1.8718
343 T A 0.0000
344 I A 0.0000
345 D A 0.0000
346 N A 0.0000
347 L A 0.0000
348 N A 0.0000
349 K A -0.4746
350 I A 0.0000
351 L A 0.0000
352 Q A 0.0000
353 V A 0.0000
354 F A 0.0000
355 V A 0.0000
356 L A 0.0000
357 E A 0.0000
358 Y A 0.0000
359 L A 0.0000
360 H A -0.4339
361 L A 0.0301
33 A B -0.0472
34 S B -0.4258
35 A B -0.7668
36 W B -1.4019
37 P B -1.7655
38 E B -2.7254
39 E B -2.3804
40 K B -2.0077
41 N B -2.0924
42 Y B -0.4912
43 H B -1.1263
44 Q B -1.2341
45 P B -0.2490
46 A B 0.3187
47 I B 1.4696
48 L B 0.1461
49 N B -1.2325
50 S B -1.1646
51 S B -1.3106
52 A B -1.2620
53 L B 0.0000
54 R B -2.4553
55 Q B -2.5938
56 I B 0.0000
57 A B -1.7054
58 E B -2.6062
59 G B -1.6684
60 T B 0.0000
61 S B -0.9233
62 I B -0.9109
63 S B -1.4139
64 E B -1.9734
65 M B 0.0000
66 W B -1.5297
67 Q B -2.0025
68 N B -1.5741
69 D B 0.0000
70 L B 0.0000
71 Q B -0.9194
72 P B -0.4770
73 L B 0.0000
74 L B 0.0359
75 I B 0.2337
76 E B -0.3218
77 R B 0.0000
78 Y B 0.3763
79 P B 0.0000
80 G B -0.2991
81 S B 0.0000
82 P B 0.0681
83 G B 0.0128
84 S B 0.0000
85 Y B 0.8800
86 A B 0.1241
87 A B 0.0000
88 R B -0.2950
89 Q B -1.0386
90 H B -1.0603
91 I B 0.0000
92 M B -1.5084
93 Q B -2.4310
94 R B -1.9702
95 I B 0.0000
96 Q B -2.8034
97 R B -3.0289
98 L B -2.4708
99 Q B -2.6093
100 A B 0.0000
101 D B -2.4223
102 W B -1.4487
103 V B -0.3383
104 L B -0.4893
105 E B -1.1302
106 I B -0.0315
107 D B 0.0000
108 T B -0.1596
109 F B 0.0000
110 L B 0.0000
111 S B -0.7022
112 Q B -1.1115
113 T B 0.0000
114 P B 0.0617
115 Y B 0.8360
116 G B -0.0578
117 Y B -0.2133
118 R B -0.8282
119 S B -0.9585
120 F B 0.0000
121 S B 0.0000
122 N B 0.0000
123 I B 0.0000
124 I B 0.0000
125 S B 0.0000
126 T B 0.0000
127 L B 0.0000
128 N B -1.2157
129 P B -0.4669
130 T B -0.7025
131 A B 0.0000
132 K B -1.3493
133 R B 0.0000
134 H B 0.0000
135 L B 0.0000
136 V B 0.0000
137 L B 0.0000
138 A B 0.0000
139 C B 0.0000
140 H B 0.0000
141 Y B 0.0000
142 D B 0.0000
143 S B 0.0000
144 K B 0.3014
145 Y B 0.8513
146 F B 0.4384
147 S B -0.5996
148 H B -1.6255
149 W B -1.0060
150 N B -2.1922
151 N B -2.6858
152 R B -2.7584
153 V B -1.0307
154 F B 0.0000
155 V B -0.1973
156 G B 0.0000
157 A B 0.0000
158 T B 0.0000
159 D B 0.0000
160 S B 0.0000
161 A B 0.0000
162 V B 0.0000
163 P B 0.0000
164 C B 0.0000
165 A B 0.0000
166 M B 0.0000
167 M B 0.0000
168 L B 0.0000
169 E B 0.0000
170 L B 0.0000
171 A B 0.0000
172 R B -1.1225
173 A B -0.8770
174 L B 0.0000
175 D B 0.0000
176 K B -2.3323
177 K B -1.6729
178 L B 0.0000
179 L B -1.8299
180 S B -1.4480
181 L B -1.4032
182 K B -2.0812
189 P B -1.3594
190 D B -1.8740
191 L B 0.0000
192 S B 0.0000
193 L B 0.0000
194 Q B -0.0620
195 L B 0.0000
196 I B 0.0000
197 F B 0.0000
198 F B 0.0000
199 D B 0.0000
200 G B 0.0000
201 E B 0.0000
202 E B 0.0000
203 A B 0.0000
204 F B 0.0000
205 L B 1.2267
206 H B -0.2800
207 W B -0.0531
208 S B -0.5069
209 P B -1.0522
210 Q B -1.6791
211 D B 0.0000
212 S B 0.0000
213 L B 0.0000
214 Y B 0.0000
215 G B 0.0000
216 S B 0.0000
217 R B -1.1255
218 H B -0.8816
219 L B 0.0000
220 A B 0.0000
221 A B -1.0219
222 K B -1.5850
223 M B 0.0000
224 A B -0.8502
225 S B -0.6783
226 T B -0.7950
227 P B 0.0000
228 H B 0.0000
229 P B -0.8884
230 P B -0.8929
231 G B -1.0900
232 A B -1.3519
233 R B -2.1442
234 G B -1.2387
235 T B -0.8679
236 S B 0.0000
237 Q B -0.8942
238 L B 0.0000
239 H B -1.2874
240 G B 0.0000
241 M B 0.0000
242 D B 0.0000
243 L B 0.0000
244 L B 0.0000
245 V B 0.0000
246 L B 0.0000
247 L B 0.0000
248 D B 0.0000
249 L B 0.0000
250 I B 0.0000
251 G B 0.0000
252 A B 0.0000
253 P B -1.4403
254 N B -1.5447
255 P B 0.0000
256 T B -0.5198
257 F B 0.0000
258 P B 0.0000
259 N B -0.8154
260 F B 0.0000
261 F B -0.4448
262 P B -0.9862
263 N B -1.6454
264 S B 0.0000
265 A B -1.4418
266 R B -2.0246
267 W B 0.0000
268 F B 0.0000
269 E B -2.6019
270 R B -1.2499
271 L B 0.0000
272 Q B -1.5543
273 A B -1.0922
274 I B 0.0000
275 E B 0.0000
276 H B -1.4358
277 E B -2.1773
278 L B 0.0000
279 H B -1.8831
280 E B -2.3226
281 L B -1.3600
282 G B -1.2909
283 L B -1.1281
284 L B -1.1694
285 K B -1.9386
286 D B -2.2729
287 H B -1.7609
288 S B -1.3730
289 L B -1.0438
290 E B -1.8886
291 G B -1.7029
292 R B -1.4305
293 Y B 0.0000
294 F B 0.0000
295 Q B -1.5187
296 N B -1.6938
297 Y B -0.3812
298 S B -0.3396
299 Y B 0.3139
300 G B -0.2548
301 G B -0.0260
302 V B 0.7775
303 I B 0.2503
304 Q B -0.5462
305 D B 0.0000
306 D B 0.0000
307 H B 0.0000
308 I B 0.0000
309 P B 0.0000
310 F B 0.0000
311 L B -1.2021
312 R B -2.5222
313 R B -2.4971
314 G B -1.7137
315 V B 0.0000
316 P B -0.9330
317 V B 0.0000
318 L B 0.0000
319 H B 0.0000
320 L B 0.0000
321 I B 0.0000
322 P B 0.0000
323 S B 0.0958
324 P B -0.2501
325 F B 0.0928
326 P B 0.0000
327 E B -1.7975
328 V B -1.0621
329 W B -0.2003
330 H B -0.2484
331 T B -0.6323
332 M B -1.2040
333 D B -2.5378
334 D B 0.0000
335 N B -1.5567
336 E B -2.2643
337 E B -2.9825
338 N B -2.5813
339 L B -1.8688
340 D B -2.0917
341 E B -2.4557
342 S B -1.7008
343 T B 0.0000
344 I B 0.0000
345 D B 0.0000
346 N B 0.0000
347 L B 0.0000
348 N B 0.0000
349 K B 0.0000
350 I B 0.0000
351 L B 0.0000
352 Q B 0.0000
353 V B 0.0000
354 F B 0.0000
355 V B 0.0000
356 L B 0.0000
357 E B 0.0000
358 Y B 0.0000
359 L B 0.0000
360 H B -0.6327
361 L B -0.1065

 

Laboratory of Theory of Biopolymers 2015