Project name: 4RR2

Status: done

submitted: 2018-02-20 14:46:26, status changed: 2018-02-20 15:25:46
Settings
Chain sequence(s) A: METFDPTELPELLKLYYRRLFPYSQYYRWLNYGGVIKNYFQHREFSFTLKDDIYIRYQSFNNQSDLEKEMQKMNPYKIDIGAVYSHRPNQHNTVKLGAFQAQEKELVFDIDMTDYDDVRRCCSSADICPKCWTLMTMAIRIIDRALKEDFGFKHRLWVYSGRRGVHCWVCDESVRKLSSAVRSGIVEYLSLVKGGQDVKKKVHLSEKIHPFIRKSINIIKKYFEEYALVNQDILENKESWDKILALVPETIHDELQQSFQKSHNSLQRWEHLKKVASRYQNWLEWEIMLQYCFPRLDINVSKGINHLLKSPFSVHPKTGRISVPIDLQKVDQFDPFTVPTISFICRELDAIHRTRDYKKTSLAPYVKVFEHFLENLDKSRKGELLKKSD
C: METFDPTELPELLKLYYRRLFPYSQYYRWLNYGGVIKNYFQHREFSFTLKDDIYIRYQSFNNQSDLEKEMQKMNPYKIDIGAVYSHRPNQHNTVKLGAFQAQEKELVFDIDMTDYDDVRRCCSSADICPKCWTLMTMAIRIIDRALKEDFGFKHRLWVYSGRRGVHCWVCDESVRKLSSAVRSGIVEYLSLVKGGQDVKKKVHLSEKIHPFIRKSINIIKKYFEEYALVNQDILENKESWDKILALVPETIHDELQQSFQKSHNSLQRWEHLKKVASRYQNNGPWLEWEIMLQYCFPRLDINVSKGINHLLKSPFSVHPKTGRISVPIDLQKVDQFDPFTVPTISFICRELDAIHRTRDYKKTSLAPYVKVFEHFLENLDKSRKGELLK
B: FYLQPPSENISLIEFENLAIDRVKLLKSVENLGVSYVKGTEQYQSKLESELRKLKFPRRRDHISHFILRLAYCQSEELRRWFIQQEMDLLRFRFSILPKDKIQDFLKDSQLQFEAISDEEKTLREQEIVASSPSLSGLKLGFESIYKIPFADALDLFRGRKVYLEDGFAYVPLKDIVAIILNEFRAKLSKALALTARSLPAVQSDERLQPLLN
D: YPHCLQFYLQPPSENISLIEFENLAIDRVKLLKSVENLGVSYVKGTEQYQSKLESELRKLKFSDEYEPRRRDHISHFILRLAYCQSEELRRWFIQQEMDLLRFRFSILPKDKIQDFLKDSQLQFEAISDEEKTLREQEIVASSPSLSGLKLGFESIYKIPFADALDLFRGRKVYLEDGFAYVPLKDIVAIILNEFRAKLSKALALTARSLPAVQSDERLQPLLNHLSHSYTGQDYSTQGNVGKISLDQIDLLSTKSFPPCMRQLHKALRENHHLRHGGRMQYGLFLKGIGLTLEQALQFWKQEFIKGKMDPDKFDKGYSYNIRHSFGKEGKRTDYTPFSCLKIILSNPPSQGDYHGCPFRHSDPELLKQKLQSYKISPGGISQILDLVKGTHYQVACQKYFEMIHNVDDCGFSLNHPNQFFCESQRILN
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-4.1161
Maximal score value
1.9965
Average score
-0.9896
Total score value
-1405.1681

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 0.3686
2 E A -1.4325
3 T A -0.9705
4 F A -1.4218
5 D A -2.4962
6 P A -1.7422
7 T A -1.5478
8 E A -1.9289
9 L A 0.0000
10 P A -1.7083
11 E A -2.3765
12 L A 0.0000
13 L A 0.0000
14 K A -2.2112
15 L A -1.7199
16 Y A 0.0000
17 Y A 0.0000
18 R A -2.7497
19 R A -2.5249
20 L A 0.0000
21 F A 0.0000
22 P A 0.0000
23 Y A 0.0000
24 S A -0.8655
25 Q A -1.2248
26 Y A 0.0000
27 Y A -1.2524
28 R A -2.4058
29 W A 0.0000
30 L A 0.0000
31 N A -1.2916
32 Y A 0.0000
33 G A -1.0729
34 G A -0.8734
35 V A 0.1345
36 I A -0.4053
37 K A -1.6334
38 N A -1.5922
39 Y A 0.0000
40 F A 0.0000
41 Q A -1.7340
42 H A -1.5195
43 R A 0.0000
44 E A 0.0000
45 F A 0.0000
46 S A 0.0000
47 F A 0.0000
48 T A 0.0000
49 L A 0.0000
50 K A -2.6395
51 D A -2.8850
52 D A -2.2530
53 I A 0.0756
54 Y A 0.9370
55 I A 1.0324
56 R A -0.0681
57 Y A -0.6193
58 Q A 0.0000
59 S A -1.3205
60 F A 0.0000
61 N A -2.2762
62 N A -2.2433
63 Q A -1.9341
64 S A -1.8276
65 D A -2.2490
66 L A 0.0000
67 E A -2.4478
68 K A -3.1066
69 E A -2.2681
70 M A 0.0000
71 Q A -2.6955
72 K A -2.7530
73 M A -1.5403
74 N A -1.8665
75 P A 0.0000
76 Y A -0.8401
77 K A -0.8662
78 I A 0.0000
79 D A -0.6634
80 I A 0.0000
81 G A 0.0000
82 A A 0.0000
83 V A 0.0000
84 Y A 0.0000
85 S A -1.0402
86 H A -1.5123
87 R A -1.9051
88 P A 0.0000
89 N A -2.3410
90 Q A -2.2491
91 H A -2.1240
92 N A -2.0219
93 T A -1.5217
94 V A -1.4299
95 K A -1.1951
96 L A 0.2690
97 G A -0.2440
98 A A -0.4827
99 F A -1.0235
100 Q A -1.4915
101 A A -1.4364
102 Q A -1.9769
103 E A 0.0000
104 K A 0.0000
105 E A 0.0000
106 L A 0.0000
107 V A 0.0000
108 F A 0.0000
109 D A -0.8128
110 I A 0.0000
111 D A -1.2401
112 M A 0.0000
113 T A -1.5834
114 D A -2.0194
115 Y A 0.0000
116 D A -2.2324
117 D A -2.8827
118 V A 0.0000
119 R A 0.0000
120 R A -1.5672
121 C A -0.7917
122 C A -0.7055
123 S A -0.8443
124 S A -1.2657
125 A A -1.1262
126 D A -1.4209
127 I A 0.0000
128 C A -0.4451
129 P A -0.6068
130 K A -1.2331
131 C A 0.0000
132 W A 0.0000
133 T A -0.7437
134 L A 0.0000
135 M A 0.0000
136 T A 0.0000
137 M A 0.0000
138 A A 0.0000
139 I A 0.0000
140 R A -1.2136
141 I A 0.0000
142 I A 0.0000
143 D A -1.2930
144 R A -1.4607
145 A A 0.0000
146 L A 0.0000
147 K A -3.0043
148 E A -2.7312
149 D A 0.0000
150 F A 0.0000
151 G A -2.2554
152 F A 0.0000
153 K A -2.6979
154 H A 0.0000
155 R A -0.8404
156 L A 0.0000
157 W A 0.0000
158 V A 0.0000
159 Y A 0.0000
160 S A -0.4704
161 G A 0.0000
162 R A -1.1436
163 R A -1.0005
164 G A 0.0000
165 V A 0.0000
166 H A 0.0000
167 C A 0.0000
168 W A 0.0000
169 V A 0.0000
170 C A 0.0000
171 D A 0.0000
172 E A -1.7390
173 S A -1.2272
174 V A 0.0000
175 R A 0.0000
176 K A -2.1604
177 L A -1.0307
178 S A -0.7604
179 S A -0.6776
180 A A -0.4306
181 V A 0.0000
182 R A 0.0000
183 S A -0.7504
184 G A 0.0000
185 I A 0.0000
186 V A 0.0000
187 E A -1.2139
188 Y A 0.0000
189 L A 0.0000
190 S A -0.7145
191 L A -0.5570
192 V A -0.9617
193 K A -2.0592
194 G A -2.1169
195 G A -1.8688
196 Q A -2.2177
197 D A -2.3497
198 V A -1.2234
199 K A -2.4034
200 K A -1.8515
201 K A -1.6592
202 V A 0.0000
203 H A -1.4350
204 L A 0.0000
205 S A -1.3954
206 E A -2.1421
207 K A -1.2615
208 I A -0.7037
209 H A 0.0000
210 P A 0.0000
211 F A 0.0000
212 I A 0.0000
213 R A -0.9184
214 K A -1.2389
215 S A 0.0000
216 I A 0.0000
217 N A -1.6360
218 I A 0.0000
219 I A 0.0000
220 K A -2.1748
221 K A -2.6058
222 Y A -1.7536
223 F A 0.0000
224 E A -1.7722
225 E A -2.2445
226 Y A 0.0000
227 A A 0.0000
228 L A 0.0000
229 V A -0.6511
230 N A -0.9548
231 Q A 0.0000
232 D A -1.2102
233 I A 0.0000
234 L A 0.0000
235 E A -2.5002
236 N A -3.2429
237 K A -4.1161
238 E A -3.8691
239 S A 0.0000
240 W A 0.0000
241 D A -3.6940
242 K A -3.5415
243 I A 0.0000
244 L A 0.0000
245 A A -1.8206
246 L A 0.0000
247 V A 0.0000
248 P A -0.8368
249 E A -2.2379
250 T A -1.4661
251 I A 0.0000
252 H A -2.8143
253 D A -3.5339
254 E A -3.3714
255 L A 0.0000
256 Q A -3.4504
257 Q A -3.2021
258 S A -2.4075
259 F A 0.0000
260 Q A -3.1325
261 K A -2.7521
262 S A -1.8769
263 H A -1.5584
264 N A -1.2308
265 S A 0.0000
266 L A 0.0000
267 Q A 0.0000
268 R A 0.0000
269 W A 0.0000
270 E A 0.0000
271 H A -0.7052
272 L A 0.0000
273 K A -1.1438
274 K A -0.9883
275 V A -1.1329
276 A A 0.0000
277 S A -1.5973
278 R A -2.1797
279 Y A -0.6056
280 Q A -1.5970
281 N A -2.0168
291 W A -0.2942
292 L A 0.0000
293 E A -0.4535
294 W A -0.2591
295 E A 0.0000
296 I A 0.0000
297 M A 0.0000
298 L A 0.0000
299 Q A 0.0000
300 Y A 0.0000
301 C A 0.0000
302 F A 0.0000
303 P A 0.0000
304 R A -0.9286
305 L A -0.8394
306 D A -1.6787
307 I A -0.9563
308 N A -1.6212
309 V A -1.0455
310 S A 0.0000
311 K A -1.4534
312 G A -1.0378
313 I A -1.2259
314 N A -1.4293
315 H A -0.8995
316 L A -0.3705
317 L A 0.0000
318 K A -0.5922
319 S A 0.0000
320 P A 0.0000
321 F A 0.0000
322 S A 0.0000
323 V A 0.0000
324 H A -0.9679
325 P A -1.2938
326 K A -2.1479
327 T A -1.3574
328 G A 0.0000
329 R A -0.4900
330 I A 0.0000
331 S A 0.0000
332 V A 0.0000
333 P A 0.0000
334 I A 0.0000
335 D A -1.2156
336 L A -1.1547
337 Q A -2.0479
338 K A -2.7087
339 V A 0.0000
340 D A -3.0778
341 Q A -2.7544
342 F A -1.6446
343 D A -1.1149
344 P A 0.0000
345 F A 0.5419
346 T A 0.2376
347 V A 0.0000
348 P A 0.0000
349 T A 0.0000
350 I A 0.0000
351 S A 0.0000
352 F A -0.6071
353 I A 0.0000
354 C A 0.0000
355 R A -2.2448
356 E A -1.6091
357 L A 0.0000
358 D A -1.8220
359 A A -0.4813
360 I A 0.8441
378 H A -1.7405
379 R A -2.3159
380 T A -2.1733
381 R A -3.3591
382 D A 0.0000
383 Y A -2.3020
384 K A -3.3117
385 K A -2.6612
386 T A 0.0000
387 S A -0.7517
388 L A 0.0000
389 A A -1.7191
390 P A -1.0257
391 Y A -0.7187
392 V A 0.0000
393 K A -2.1612
394 V A -1.0663
395 F A 0.0000
396 E A -2.1185
397 H A -1.9129
398 F A -1.2519
399 L A 0.0000
400 E A -3.0377
401 N A -2.7748
402 L A -2.4584
403 D A -2.7308
404 K A -3.2662
405 S A -2.5364
406 R A -2.4408
407 K A -2.3874
408 G A -2.4948
409 E A -3.0461
410 L A -1.2429
411 L A -0.6477
412 K A -2.8855
413 K A -3.2847
414 S A -1.9919
415 D A -2.7325
28 F B 1.9965
29 Y B 1.0910
30 L B 0.7461
31 Q B -0.6039
32 P B -0.6970
33 P B -1.2680
34 S B -1.0444
35 E B -1.4877
36 N B -1.4077
37 I B -0.1091
38 S B 0.3487
39 L B 0.6117
40 I B 1.1809
41 E B -0.8308
42 F B -0.2627
43 E B -0.6696
44 N B -0.7857
45 L B 0.0000
46 A B 0.0000
47 I B 0.8119
48 D B -0.4618
49 R B 0.0000
50 V B -0.3971
51 K B -1.9718
52 L B 0.0000
53 L B 0.0000
54 K B -2.7761
55 S B -2.4164
56 V B 0.0000
57 E B -2.3063
58 N B -1.9341
59 L B 0.0000
60 G B -0.4223
61 V B 1.3862
62 S B 0.5591
63 Y B 0.5750
64 V B 1.0521
65 K B -1.5440
66 G B -1.1332
67 T B -1.9009
68 E B -3.3086
69 Q B -2.8128
70 Y B 0.0000
71 Q B -2.3517
72 S B -2.3719
73 K B -2.8365
74 L B 0.0000
75 E B -2.2178
76 S B -2.1944
77 E B -2.3724
78 L B 0.0000
79 R B -3.0867
80 K B -2.9467
81 L B -2.0133
82 K B -2.4113
83 F B 0.0000
95 P B -2.9900
96 R B -3.4547
97 R B -3.6165
98 R B -3.3116
99 D B 0.0000
100 H B -1.5745
101 I B 0.0000
102 S B 0.0000
103 H B 0.0000
104 F B 0.1604
105 I B 0.0000
106 L B 0.0000
107 R B 0.0000
108 L B 0.1990
109 A B 0.0000
110 Y B -1.0761
111 C B 0.0000
112 Q B -1.8778
113 S B -2.2715
114 E B -3.5914
115 E B -3.4417
116 L B -2.3232
117 R B -2.9982
118 R B -3.5872
119 W B -2.1503
120 F B 0.0000
121 I B 0.0000
122 Q B -2.1716
123 Q B 0.0000
124 E B 0.0000
125 M B -1.2105
126 D B -1.7689
127 L B 0.0000
128 L B -0.4306
129 R B -1.1484
130 F B 0.0000
131 R B -0.4132
132 F B -0.1597
133 S B 0.0110
134 I B 0.7769
135 L B -0.1322
136 P B -1.4779
137 K B -3.1179
138 D B -3.7676
139 K B -3.4790
140 I B -2.5074
141 Q B -3.1829
142 D B -4.0345
143 F B -2.4026
144 L B 0.0000
145 K B -3.7831
146 D B -3.3890
147 S B -2.5070
148 Q B -2.2575
149 L B -1.9257
150 Q B -2.3202
151 F B -1.9352
152 E B -2.3154
153 A B -1.2643
154 I B 0.0000
155 S B -2.0928
156 D B -2.5936
157 E B -2.7537
158 E B -1.6141
159 K B -1.6592
160 T B -1.1637
161 L B 0.1325
162 R B 0.0000
163 E B -1.2640
164 Q B -1.1546
165 E B -0.7024
166 I B 0.0000
167 V B 0.0000
168 A B -0.5320
169 S B 0.0000
170 S B -0.3060
171 P B -0.3025
172 S B -0.3958
173 L B 0.6412
174 S B 0.0287
175 G B -0.1140
176 L B 0.3458
177 K B -0.9870
178 L B -0.7027
179 G B -0.2481
180 F B 0.5745
181 E B -1.0222
182 S B -0.8583
183 I B 0.0000
184 Y B 0.0000
185 K B -1.2112
186 I B 0.0000
187 P B -0.7466
188 F B -0.6485
189 A B -0.8103
190 D B -1.5948
191 A B 0.0000
192 L B -1.3212
193 D B -2.3193
194 L B 0.0000
195 F B 0.0000
196 R B -2.2032
197 G B -1.9282
198 R B -1.5902
199 K B -1.7155
200 V B 0.0000
201 Y B -0.4384
202 L B 0.0000
203 E B -1.7708
204 D B -2.7375
205 G B -1.2850
206 F B -0.5895
207 A B 0.0000
208 Y B 0.0000
209 V B 0.0000
210 P B -0.7797
211 L B -1.0277
212 K B -1.7931
213 D B 0.0000
214 I B 0.0000
215 V B -0.2740
216 A B -0.6178
217 I B -0.7171
218 I B -0.3431
219 L B 0.0000
220 N B -1.7415
221 E B -2.2431
222 F B -1.4939
223 R B -2.7141
224 A B -2.3606
225 K B -2.6815
226 L B 0.0000
227 S B -2.1434
228 K B -2.2295
229 A B -1.1054
230 L B 0.0000
231 A B -1.0966
232 L B -0.3032
233 T B -0.5671
234 A B -0.8775
235 R B -1.7650
236 S B -0.9858
237 L B 0.0000
238 P B -1.0014
239 A B -0.5498
240 V B -0.8681
241 Q B -1.8579
242 S B -1.7143
243 D B -2.3855
244 E B -3.3846
245 R B -3.0797
246 L B -2.1763
247 Q B -2.4161
248 P B -1.6552
249 L B -0.5109
250 L B -1.0376
251 N B -1.3664
1 M C 0.1479
2 E C -1.5532
3 T C -1.0377
4 F C -1.5557
5 D C -2.6492
6 P C -1.8864
7 T C -1.7365
8 E C -2.3284
9 L C 0.0000
10 P C -1.7022
11 E C -2.5443
12 L C 0.0000
13 L C 0.0000
14 K C -2.5432
15 L C -1.8581
16 Y C 0.0000
17 Y C 0.0000
18 R C -3.1304
19 R C -2.6168
20 L C 0.0000
21 F C 0.0000
22 P C 0.0000
23 Y C 0.0000
24 S C -0.8316
25 Q C 0.0000
26 Y C 0.0000
27 Y C -1.2492
28 R C -2.1633
29 W C 0.0000
30 L C 0.0000
31 N C -1.1914
32 Y C 0.0000
33 G C -0.9123
34 G C -0.7739
35 V C 0.3265
36 I C -0.2282
37 K C -1.5700
38 N C -1.5349
39 Y C 0.0000
40 F C 0.0000
41 Q C -1.6221
42 H C -1.4947
43 R C 0.0000
44 E C 0.0000
45 F C 0.0000
46 S C 0.0000
47 F C 0.0000
48 T C 0.0000
49 L C -0.0018
50 K C -1.3850
51 D C -2.1857
52 D C -1.5203
53 I C 1.2763
54 Y C 1.7303
55 I C 1.5769
56 R C 0.1503
57 Y C -0.4899
58 Q C 0.0000
59 S C -1.2367
60 F C 0.0000
61 N C -2.0014
62 N C -2.0392
63 Q C -1.8646
64 S C -1.7504
65 D C -2.2079
66 L C 0.0000
67 E C -2.4166
68 K C -2.9815
69 E C -2.5164
70 M C 0.0000
71 Q C -2.7015
72 K C -2.9150
73 M C -1.4898
74 N C -1.6268
75 P C 0.0000
76 Y C -0.4770
77 K C -0.8335
78 I C 0.0000
79 D C -0.6512
80 I C 0.0000
81 G C 0.0000
82 A C 0.0000
83 V C 0.0000
84 Y C 0.0000
85 S C -1.0361
86 H C -1.4986
87 R C -1.9477
88 P C 0.0000
89 N C -2.2355
90 Q C -2.4751
91 H C -2.1308
92 N C -2.0383
93 T C -1.5331
94 V C -1.2906
95 K C -1.1889
96 L C 0.2629
97 G C -0.2797
98 A C -0.4977
99 F C -1.0484
100 Q C -1.3874
101 A C -1.3542
102 Q C -1.9735
103 E C -1.7775
104 K C 0.0000
105 E C 0.0000
106 L C 0.0000
107 V C 0.0000
108 F C 0.0000
109 D C -0.8522
110 I C 0.0000
111 D C -1.1961
112 M C 0.0000
113 T C -1.7009
114 D C -2.0636
115 Y C 0.0000
116 D C -3.1411
117 D C -3.3913
118 V C -1.8957
119 R C -1.8409
120 R C -2.0192
121 C C -0.9127
122 C C -0.8879
123 S C -1.1786
124 S C -1.5355
125 A C -1.1316
126 D C -1.1937
127 I C 0.0000
128 C C -0.5760
129 P C -0.8176
130 K C -1.4080
131 C C 0.0000
132 W C 0.0000
133 T C -0.7436
134 L C 0.0000
135 M C 0.0000
136 T C 0.0000
137 M C 0.0000
138 A C 0.0000
139 I C 0.0000
140 R C -0.8883
141 I C 0.0000
142 I C 0.0000
143 D C -1.2039
144 R C -1.4327
145 A C 0.0000
146 L C 0.0000
147 K C -2.8991
148 E C -2.6348
149 D C 0.0000
150 F C 0.0000
151 G C -2.2918
152 F C 0.0000
153 K C -2.7785
154 H C 0.0000
155 R C -0.9204
156 L C 0.0000
157 W C 0.0000
158 V C 0.0000
159 Y C 0.0000
160 S C -0.5138
161 G C 0.0000
162 R C -1.3282
163 R C -1.0557
164 G C 0.0000
165 V C 0.0000
166 H C 0.0000
167 C C 0.0000
168 W C 0.0000
169 V C 0.0000
170 C C 0.0000
171 D C -1.7522
172 E C -2.3214
173 S C -1.5432
174 V C 0.0000
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Laboratory of Theory of Biopolymers 2015