Project name: HyalI [mutate: SA21A]

Status: done

submitted: 2019-01-30 16:37:25, status changed: 2019-01-30 16:48:10
Settings
Chain sequence(s) A: RSFRGPLLPNRPFTTVWNANTQWCLERHGVDVDVSVFDVVANPGQTFRGPDMTIFYSSQLGTYPYYTPTGEPVFGGLPQNASLIAHLARTFQDILAAIPAPDFSGLAVIDWEAWRPRWAFNWDTKDIYRQRSRALVQAQHPDWPAPQVEAVAQDQFQGAARAWMAGTLQLGRALRPRGLWGFYGFPDCYNYDFLSPNYTGQCPSGIRAQNDQLGWLWGQSRALYPSIYMPAVLEGTGKSQMYVQHRVAEAFRVAVAAGDPNLPVLPYVQIFYDTTNHFLPLDELEHSLGESAAQGAAGVVLWVSWENTRTKESCQAIKEYMDTTLGPFILNVTSGALLCSQALCSGHGRCVRRTSHPKALLLLNPASFSIQLTPGGGPLSLRGALSLEDQAQMAVEFKCRCYPGWQAPWCERKSMWT
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues SA21A
Energy difference between WT (input) and mutated protein (by FoldX) 0.459078 kcal/mol

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-3.4828
Maximal score value
2.0146
Average score
-0.5523
Total score value
-230.3002

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
20 R A -1.7132
21 A A 0.0000 mutated: SA21A
22 F A 1.0772
23 R A -0.1278
24 G A -0.2013
25 P A -0.5244
26 L A 0.0000
27 L A -0.5618
28 P A -0.9189
29 N A -1.7163
30 R A -1.1600
31 P A 0.0000
32 F A 0.0000
33 T A 0.0000
34 T A 0.0000
35 V A 0.0000
36 W A 0.0000
37 N A 0.0000
38 A A 0.0000
39 N A -0.3043
40 T A 0.0000
41 Q A -1.3812
42 W A -1.8047
43 C A 0.0000
44 L A -1.7980
45 E A -2.7879
46 R A -3.1663
47 H A -2.8388
48 G A -2.0235
49 V A 0.0000
50 D A -2.2822
51 V A 0.0000
52 D A -1.4944
53 V A 0.0064
54 S A 0.0053
55 V A 0.2727
56 F A 0.0000
57 D A -0.1806
58 V A 0.0000
59 V A 1.1606
60 A A 0.2473
61 N A -0.1800
62 P A -0.0072
63 G A -0.5680
64 Q A -0.7800
65 T A -0.1269
66 F A 0.6744
67 R A -1.2973
68 G A -0.7897
69 P A -1.1115
70 D A -1.0090
71 M A -0.5389
72 T A -0.4057
73 I A 0.0000
74 F A 0.0000
75 Y A -0.1029
76 S A -0.4527
77 S A -0.3792
78 Q A -0.7595
79 L A 0.0000
80 G A -0.6724
81 T A 0.0200
82 Y A 0.0000
83 P A 0.0000
84 Y A 0.2277
85 Y A 0.0000
86 T A -0.6763
87 P A -0.6065
88 T A -0.7488
89 G A -1.0067
90 E A -1.6947
91 P A -0.5784
92 V A 0.7567
93 F A 1.4175
94 G A 0.1674
95 G A 0.0000
96 L A 0.0000
97 P A 0.0000
98 Q A -1.1605
99 N A -1.0940
100 A A 0.1363
101 S A 0.6454
102 L A 0.9671
103 I A 2.0146
104 A A 0.7208
105 H A 0.0000
106 L A 0.6420
107 A A -0.0883
108 R A -1.5944
109 T A 0.0000
110 F A 0.0456
111 Q A -1.0169
112 D A -0.7650
113 I A 0.0000
114 L A 0.4261
115 A A -0.0734
116 A A -0.4558
117 I A 0.0000
118 P A -0.6060
119 A A -0.7159
120 P A -1.3614
121 D A -2.5213
122 F A 0.0000
123 S A -1.6077
124 G A 0.0000
125 L A 0.0000
126 A A 0.0000
127 V A 0.0000
128 I A 0.0000
129 D A -0.7110
130 W A 0.0000
131 E A -1.9042
132 A A -0.9617
133 W A 0.0000
134 R A -0.8754
135 P A 0.0000
136 R A -0.8423
137 W A -0.5947
138 A A -0.1950
139 F A 0.0000
140 N A 0.0000
141 W A -0.7590
142 D A -1.7951
143 T A -1.0457
144 K A -1.2403
145 D A -1.2474
146 I A -0.8999
147 Y A 0.0000
148 R A -1.5658
149 Q A -1.8478
150 R A -1.4769
151 S A 0.0000
152 R A -2.1893
153 A A -1.3314
154 L A -0.9302
155 V A 0.0000
156 Q A -1.7426
157 A A -1.1390
158 Q A -1.6262
159 H A -1.5994
160 P A -1.6469
161 D A -2.1301
162 W A -1.2159
163 P A -1.0327
164 A A -1.0864
165 P A -1.1317
166 Q A -1.3287
167 V A 0.0000
168 E A -2.7009
169 A A -1.6972
170 V A -1.5312
171 A A 0.0000
172 Q A -2.3148
173 D A -2.6437
174 Q A -2.3692
175 F A 0.0000
176 Q A -1.7834
177 G A -1.8172
178 A A -1.4329
179 A A 0.0000
180 R A -1.8008
181 A A -0.8128
182 W A 0.0000
183 M A 0.0000
184 A A -0.7572
185 G A -0.5715
186 T A 0.0000
187 L A 0.0000
188 Q A -1.0483
189 L A -0.1087
190 G A 0.0000
191 R A -1.0240
192 A A -0.3755
193 L A -0.2530
194 R A 0.0000
195 P A -1.7326
196 R A -2.6511
197 G A 0.0000
198 L A 0.0000
199 W A 0.0000
200 G A 0.0000
201 F A 0.0000
202 Y A 0.0000
203 G A -0.4646
204 F A 0.0000
205 P A 0.0000
206 D A -0.3521
207 C A 0.0000
208 Y A 0.0000
209 N A 0.0000
210 Y A 0.0971
211 D A -1.3121
212 F A 0.0000
213 L A 1.0472
214 S A -0.2393
215 P A -0.7333
216 N A -1.3749
217 Y A -0.8572
218 T A -1.0013
219 G A 0.0000
220 Q A -1.4971
221 C A 0.0000
222 P A -0.8915
223 S A -0.7184
224 G A -0.8348
225 I A 0.0000
226 R A -1.8332
227 A A -1.4467
228 Q A -1.5558
229 N A 0.0000
230 D A -2.5556
231 Q A -2.1078
232 L A 0.0000
233 G A -1.0598
234 W A -0.6442
235 L A 0.0000
236 W A 0.0000
237 G A -0.6572
238 Q A -0.5643
239 S A 0.0000
240 R A -0.9273
241 A A 0.0000
242 L A 0.0000
243 Y A 0.0000
244 P A 0.0000
245 S A -0.0457
246 I A 0.0000
247 Y A 0.0424
248 M A 0.0000
249 P A 0.3034
250 A A 0.0958
251 V A 1.4800
252 L A 0.0000
253 E A -1.1034
254 G A -0.9363
255 T A -0.6720
256 G A -0.9589
257 K A -0.6372
258 S A 0.0000
259 Q A -0.9222
260 M A -0.5461
261 Y A 0.0000
262 V A 0.0000
263 Q A -0.7318
264 H A -0.6583
265 R A 0.0000
266 V A 0.0000
267 A A -0.3454
268 E A 0.0000
269 A A 0.0000
270 F A 0.2839
271 R A -0.2102
272 V A 0.0000
273 A A 0.0000
274 V A 1.3428
275 A A 0.2954
276 A A -0.2293
277 G A -0.3808
278 D A 0.0000
279 P A -0.1971
280 N A -0.4980
281 L A 0.0000
282 P A 0.0000
283 V A 0.0000
284 L A 0.0000
285 P A 0.0000
286 Y A 0.0000
287 V A 0.0000
288 Q A 0.0000
289 I A 0.0000
290 F A 0.0000
291 Y A 0.0000
292 D A -0.5475
293 T A -0.8301
294 T A -1.1354
295 N A -1.6931
296 H A -1.4539
297 F A -0.2843
298 L A 0.0000
299 P A -0.3239
300 L A 0.4691
301 D A -1.3370
302 E A 0.0000
303 L A 0.0000
304 E A -0.8249
305 H A -1.0637
306 S A 0.0000
307 L A 0.0000
308 G A 0.0000
309 E A 0.0000
310 S A 0.0000
311 A A 0.0000
312 A A 0.0000
313 Q A -0.3548
314 G A 0.0000
315 A A 0.0000
316 A A 0.0000
317 G A 0.0000
318 V A 0.0000
319 V A 0.0000
320 L A 0.0000
321 W A 0.4125
322 V A 0.0000
323 S A 0.0000
324 W A -0.4844
325 E A -2.0965
326 N A 0.0000
327 T A 0.0000
328 R A -2.9694
329 T A -2.7963
330 K A -3.3130
331 E A -3.1656
332 S A -2.5194
333 C A 0.0000
334 Q A -2.6713
335 A A -1.9539
336 I A 0.0000
337 K A -2.6423
338 E A -2.6691
339 Y A -1.3358
340 M A 0.0000
341 D A -1.8507
342 T A -0.8560
343 T A -0.1965
344 L A 0.0000
345 G A 0.0000
346 P A -0.0913
347 F A 0.0000
348 I A 0.0000
349 L A 0.3947
350 N A 0.0368
351 V A 0.0000
352 T A 0.0000
353 S A 0.0587
354 G A 0.0000
355 A A 0.0000
356 L A -0.4635
357 L A -0.2050
358 C A 0.0000
359 S A 0.0000
360 Q A -1.3554
361 A A -0.3044
362 L A -0.5793
363 C A 0.0000
364 S A -1.3092
365 G A -1.3266
366 H A -1.5777
367 G A 0.0000
368 R A -0.6545
369 C A 0.0000
370 V A -0.4428
371 R A 0.0000
372 R A -1.0425
373 T A -0.9506
374 S A -0.7493
375 H A -1.1468
376 P A -1.4854
377 K A -2.0547
378 A A -0.9977
379 L A -0.2912
380 L A 0.0000
381 L A 0.1628
382 L A 0.0000
383 N A -0.8738
384 P A -0.5388
385 A A -0.3522
386 S A -0.6901
387 F A 0.0000
388 S A -0.9130
389 I A -0.2977
390 Q A -0.7625
391 L A -0.0472
392 T A -0.2982
393 P A -0.6451
394 G A -0.7904
395 G A -0.8228
396 G A -0.6391
397 P A -0.4206
398 L A -0.2476
399 S A -0.2330
400 L A -0.4703
401 R A -1.8952
402 G A -1.1461
403 A A -0.2279
404 L A 0.1165
405 S A -0.1792
406 L A 0.3423
407 E A -1.6564
408 D A -1.2048
409 Q A -0.7064
410 A A -0.8166
411 Q A -1.2981
412 M A 0.0000
413 A A -0.3916
414 V A 0.2929
415 E A -0.6690
416 F A 0.0000
417 K A -0.9845
418 C A -0.6692
419 R A -0.7912
420 C A -0.8562
421 Y A 0.0000
422 P A -0.2231
423 G A -0.2463
424 W A -1.4521
425 Q A -1.6695
426 A A -1.1017
427 P A -0.7499
428 W A -0.7693
429 C A 0.0000
430 E A -3.0825
431 R A -3.4828
432 K A -2.6912
433 S A -0.8480
434 M A 0.9256
435 W A 1.4279
436 T A 0.4472

 

Laboratory of Theory of Biopolymers 2015