Project name: 14-5 whole [mutate: QB27F, LB29P, DB108A, QD27F, LD29P, DD108A]

Status: done

submitted: 2019-03-18 06:24:14, status changed: 2019-03-18 06:58:40
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Chain sequence(s) A: DIQMTQSPSSLSASVGDRVTITCSASSTVSFMNWYQQKPGKAPKLLIYSTSILASGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQRSSLPLITFGAGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: DIQMTQSPSSLSASVGDRVTITCSASSTVSFMNWYQQKPGKAPKLLIYSTSILASGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQRSSLPLITFGAGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: QVQLQESGPGLVKPSETLSLTCTVSGQSLTNFGVHWIRQPPGKGLEWIGVIWAGGSTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARDGYNGYYYTMDYWGQGTSVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS
D: QVQLQESGPGLVKPSETLSLTCTVSGQSLTNFGVHWIRQPPGKGLEWIGVIWAGGSTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARDGYNGYYYTMDYWGQGTSVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues QB27F, LB29P, DB108A, QD27F, LD29P, DD108A
Energy difference between WT (input) and mutated protein (by FoldX) 5.24728 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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
-2.3263
Maximal score value
2.0799
Average score
-0.2623
Total score value
-346.6997

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 Q B -1.1412
2 V B -0.1810
3 Q B -1.1391
4 L B 0.0000
5 Q B -1.1998
6 E B 0.0000
7 S B -0.1703
8 G B -0.4973
9 P B -0.1964
10 G B -0.0952
11 L B 0.3470
12 V B -0.0402
13 K B -1.7064
14 P B -0.4493
15 S B -0.3945
16 E B -0.7797
17 T B -0.2040
18 L B 0.0000
19 S B -0.2821
20 L B 0.0000
21 T B -0.0211
22 C B 0.0000
23 T B -0.1765
24 V B 0.0000
25 S B -0.2456
26 G B -0.3956
27 F B 0.1801 mutated: QB27F
28 S B -0.1657
29 P B -0.0998 mutated: LB29P
30 T B -0.3029
31 N B -1.2659
32 F B 0.0000
33 G B 0.0000
34 V B 0.0000
35 H B 0.0000
36 W B 0.0000
37 I B 0.0000
38 R B -0.2395
39 Q B -0.2363
40 P B 0.0000
41 P B -0.3392
42 G B -0.8233
43 K B -1.8130
44 G B -0.4650
45 L B 0.0000
46 E B -0.9245
47 W B 0.0000
48 I B 0.0000
49 G B 0.0000
50 V B 0.0000
51 I B 0.0000
52 W B 0.1860
53 A B -0.0145
54 G B -0.5439
55 G B -0.5879
56 S B -0.2932
57 T B -0.1265
58 N B -0.3061
59 Y B 0.0483
60 N B -0.3080
61 P B -0.5349
62 S B -0.2585
63 L B 0.0000
64 K B -1.7665
65 S B -0.5810
66 R B -0.4011
67 V B 0.0000
68 T B -0.0622
69 I B 0.0000
70 S B 0.0062
71 V B 0.5668
72 D B -0.4492
73 T B -0.2627
74 S B -0.5347
75 K B -1.8306
76 N B -0.8723
77 Q B -0.3846
78 F B 0.0000
79 S B -0.0273
80 L B 0.0000
81 K B -0.8952
82 L B 0.0000
83 S B -0.1573
84 S B -0.2634
85 V B 0.0000
86 T B -0.0221
87 A B 0.0631
88 A B 0.0690
89 D B 0.0000
90 T B -0.0152
91 A B 0.0000
92 V B 0.5185
93 Y B 0.0000
94 Y B 0.0000
95 C B 0.0000
96 A B 0.0000
97 R B -0.1778
98 D B 0.0000
99 G B 0.0000
100 Y B 0.5810
101 N B -1.1653
102 G B -0.2035
103 Y B 1.5129
104 Y B 1.5807
105 Y B 0.3514
106 T B 0.0000
107 M B 0.0000
108 A B 0.1793 mutated: DB108A
109 Y B 0.9192
110 W B 0.2817
111 G B 0.0000
112 Q B -1.2112
113 G B -0.2883
114 T B 0.0000
115 S B 0.0100
116 V B 0.0000
117 T B 0.0277
118 V B 0.0000
119 S B -0.2413
120 S B -0.3840
121 A B -0.0196
122 S B -0.2099
123 T B -0.2534
124 K B -0.9581
125 G B -0.2912
126 P B -0.0628
127 S B -0.0929
128 V B 0.0000
129 F B 0.0000
130 P B -0.0317
131 L B 0.0000
132 A B 0.0083
133 P B -0.0416
134 S B -0.0536
135 S B -0.1886
136 K B -0.4498
137 S B -0.2915
138 T B -0.1052
139 S B -0.1453
140 G B -0.3464
141 G B -0.5204
142 T B -0.1742
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 -0.2311
151 D B -0.3917
152 Y B 0.0000
153 F B 0.2055
154 P B 0.0000
155 E B -0.6135
156 P B -0.2775
157 V B 0.0000
158 T B -0.0358
159 V B 0.1674
160 S B -0.0314
161 W B 0.0000
162 N B -0.3704
163 S B -0.3568
164 G B -0.4940
165 A B 0.0189
166 L B 0.2439
167 T B -0.0649
168 S B -0.2790
169 G B -0.2623
170 V B 0.3083
171 H B -0.0535
172 T B -0.0567
173 F B 0.0000
174 P B -0.2014
175 A B 0.0255
176 V B 0.5125
177 L B 1.3284
178 Q B 0.0312
179 S B -0.2814
180 S B -0.3023
181 G B -0.2748
182 L B 0.2466
183 Y B 0.4143
184 S B 0.0000
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 -0.0112
191 V B 0.0000
192 P B -0.2711
193 S B -0.1438
194 S B -0.2227
195 S B 0.0000
196 L B 0.1790
197 G B 0.0000
198 T B -0.2563
199 Q B -1.1975
200 T B -0.2430
201 Y B 0.0000
202 I B 0.2591
203 C B 0.0000
204 N B -0.3737
205 V B 0.0000
206 N B -0.4604
207 H B 0.0000
208 K B -1.8606
209 P B -0.3757
210 S B -0.3210
211 N B -1.4893
212 T B -0.5607
213 K B -1.6530
214 V B -0.1995
215 D B -1.7764
216 K B -0.7849
217 K B -0.9794
218 V B 0.0000
219 E B 0.0000
220 P B 0.0000
221 K B -0.4341
222 S B 0.0000
223 C B 0.0812
224 D B 0.0000
225 K B 0.0000
226 T B 0.0000
227 H B -0.4318
228 T B -0.0917
229 C B 0.0000
230 P B 0.0000
231 P B 0.0000
232 C B 0.0000
233 P B -0.1127
234 A B 0.0000
235 P B -0.0256
236 E B 0.0000
237 L B 0.0000
238 L B 0.5577
239 G B -0.0498
240 G B -0.1043
241 P B -0.1306
242 S B -0.0427
243 V B 0.0000
244 F B 1.0606
245 L B 0.0000
246 F B 0.9529
247 P B 0.0625
248 P B -0.3713
249 K B -1.7677
250 P B -0.9569
251 K B -2.0686
252 D B -2.1089
253 T B -0.1181
254 L B 1.7912
255 M B 1.7911
256 I B 1.9675
257 S B -0.2954
258 R B -1.6964
259 T B -0.4244
260 P B -0.1956
261 E B -0.5540
262 V B 0.0000
263 T B -0.0099
264 C B 0.0000
265 V B 0.0000
266 V B 0.0000
267 V B 0.0728
268 D B -0.5617
269 V B 0.0000
270 S B -0.2038
271 H B -1.2133
272 E B -1.4299
273 D B -0.4745
274 P B -0.2573
275 E B -0.7989
276 V B -0.0713
277 K B -0.6310
278 F B 0.0464
279 N B -0.1013
280 W B 0.0000
281 Y B 0.1242
282 V B 0.0000
283 D B -0.9838
284 G B -0.3200
285 V B 1.3045
286 E B -0.7819
287 V B -0.1197
288 H B -1.1678
289 N B -1.4472
290 A B -0.5235
291 K B -1.7090
292 T B -0.5374
293 K B -0.9345
294 P B -0.5775
295 R B -1.2651
296 E B -2.1272
297 E B -2.3263
298 Q B -1.1603
299 Y B 0.8444
300 N B -0.5858
301 S B -0.2229
302 T B -0.0207
303 Y B 0.0000
304 R B -1.2282
305 V B 0.0000
306 V B 0.2435
307 S B 0.0000
308 V B 0.0000
309 L B 0.0000
310 T B -0.0478
311 V B 0.3690
312 L B 0.3276
313 H B -0.8528
314 Q B -1.3272
315 D B 0.0000
316 W B 0.3289
317 L B 0.8861
318 N B 0.0000
319 G B -0.1551
320 K B 0.0000
321 E B -1.2340
322 Y B 0.0000
323 K B -0.3907
324 C B 0.0000
325 K B -0.4662
326 V B 0.0000
327 S B 0.0000
328 N B 0.0000
329 K B -0.7000
330 A B -0.0829
331 L B 0.1549
332 P B 0.0000
333 A B -0.0080
334 P B -0.0216
335 I B 0.0533
336 E B -1.0949
337 K B -0.7739
338 T B -0.1530
339 I B 0.2760
340 S B -0.2786
341 K B -0.6957
342 A B -0.3779
343 K B -1.7363
344 G B -0.7466
345 Q B -0.9171
346 P B -0.2415
347 R B -0.6068
348 E B -1.8679
349 P B 0.0000
350 Q B -0.3504
351 V B 0.0000
352 Y B 0.0000
353 T B 0.0000
354 L B 0.0000
355 P B -0.1600
356 P B -0.0576
357 S B -0.3652
358 R B -1.9685
359 D B -0.9971
360 E B 0.0000
361 L B 0.3236
362 T B -0.1597
363 K B -1.0764
364 N B -1.5634
365 Q B -1.1830
366 V B 0.0000
367 S B 0.0000
368 L B 0.0000
369 T B 0.0000
370 C B 0.0000
371 L B 0.0000
372 V B 0.0000
373 K B -0.1892
374 G B -0.0929
375 F B 0.0000
376 Y B 0.0000
377 P B -0.0717
378 S B -0.3926
379 D B -1.7360
380 I B 0.0231
381 A B 0.1341
382 V B 0.0151
383 E B -0.8789
384 W B 0.0000
385 E B -0.3770
386 S B 0.0000
387 N B -1.3574
388 G B -0.9147
389 Q B -1.3470
390 P B -0.5403
391 E B -0.5674
392 N B -1.3909
393 N B -0.5643
394 Y B 0.0656
395 K B -0.5424
396 T B -0.1287
397 T B 0.0000
398 P B -0.1622
399 P B -0.0821
400 V B 0.2942
401 L B 0.5567
402 D B -0.2417
403 S B -0.5335
404 D B -1.5366
405 G B 0.0000
406 S B 0.0000
407 F B 0.2875
408 F B 0.0000
409 L B 0.0000
410 Y B 0.0000
411 S B 0.0000
412 K B 0.0000
413 L B 0.0000
414 T B -0.0085
415 V B 0.0000
416 D B -1.5125
417 K B -0.6508
418 S B -0.5306
419 R B -0.7529
420 W B 0.0000
421 Q B -1.4380
422 Q B -1.4697
423 G B -0.5603
424 N B -0.1444
425 V B 0.8856
426 F B 0.0000
427 S B 0.0000
428 C B 0.0000
429 S B 0.0000
430 V B 0.0000
431 M B 0.3630
432 H B 0.0000
433 E B -1.8184
434 A B -0.4775
435 L B -0.1255
436 H B -1.1846
437 N B -1.6284
438 H B -1.0848
439 Y B 0.4414
440 T B -0.0881
441 Q B -1.0374
442 K B -0.5929
443 S B -0.2360
444 L B 0.0000
445 S B 0.1271
446 L B 0.5766
447 S B -0.1002
1 Q D -1.1573
2 V D -0.1463
3 Q D -0.4982
4 L D 0.0000
5 Q D -1.1429
6 E D -0.3977
7 S D -0.2072
8 G D -0.5286
9 P D -0.3678
10 G D -0.0805
11 L D 0.6497
12 V D 0.0294
13 K D -1.5303
14 P D -0.4148
15 S D -0.4779
16 E D -1.2594
17 T D -0.2517
18 L D 0.1015
19 S D -0.3749
20 L D 0.0000
21 T D -0.0260
22 C D 0.0000
23 T D -0.1782
24 V D 0.0000
25 S D -0.2404
26 G D -0.4089
27 F D 0.1831 mutated: QD27F
28 S D -0.1642
29 P D -0.0919 mutated: LD29P
30 T D -0.2874
31 N D -1.2350
32 F D 0.0943
33 G D 0.0000
34 V D 0.0000
35 H D 0.0000
36 W D 0.0000
37 I D 0.0000
38 R D -0.2172
39 Q D -0.1703
40 P D -0.1009
41 P D -0.3443
42 G D -0.8221
43 K D -1.8163
44 G D -0.4808
45 L D 0.0000
46 E D -0.6222
47 W D 0.0000
48 I D 0.0000
49 G D 0.0000
50 V D 0.0000
51 I D 0.0000
52 W D 0.2084
53 A D -0.0344
54 G D -0.5202
55 G D -0.4370
56 S D -0.2682
57 T D -0.1202
58 N D -0.2252
59 Y D 0.0819
60 N D -0.2553
61 P D -0.3351
62 S D -0.2587
63 L D 0.0000
64 K D -1.7113
65 S D -0.5810
66 R D -0.4350
67 V D 0.0000
68 T D -0.0629
69 I D 0.0000
70 S D -0.0568
71 V D 0.3814
72 D D -0.5503
73 T D -0.2616
74 S D -0.5386
75 K D -1.8228
76 N D -0.8330
77 Q D -0.4226
78 F D 0.0000
79 S D -0.0624
80 L D 0.0000
81 K D -1.2327
82 L D 0.0000
83 S D -0.1329
84 S D -0.2568
85 V D 0.0000
86 T D -0.0301
87 A D 0.0618
88 A D 0.0691
89 D D 0.0000
90 T D -0.0119
91 A D 0.0000
92 V D 0.2756
93 Y D 0.0000
94 Y D 0.0000
95 C D 0.0000
96 A D 0.0000
97 R D 0.0000
98 D D 0.0000
99 G D 0.0000
100 Y D 0.3496
101 N D -1.1480
102 G D -0.5788
103 Y D 1.2148
104 Y D 0.9835
105 Y D 0.3046
106 T D 0.0000
107 M D 0.0000
108 A D 0.1538 mutated: DD108A
109 Y D 0.7903
110 W D 0.2635
111 G D 0.0000
112 Q D -1.2102
113 G D -0.2835
114 T D 0.0000
115 S D -0.1687
116 V D 0.0000
117 T D 0.0603
118 V D 0.0000
119 S D -0.0676
120 S D -0.2163
121 A D -0.0794
122 S D -0.2216
123 T D -0.2413
124 K D -0.7835
125 G D -0.2403
126 P D -0.0624
127 S D -0.1054
128 V D 0.0000
129 F D 0.0000
130 P D 0.0000
131 L D 0.0000
132 A D 0.0000
133 P D 0.0000
134 S D 0.0000
135 S D -0.0949
136 K D -0.2749
137 S D -0.1165
138 T D -0.1026
139 S D -0.2206
140 G D -0.4378
141 G D -0.5386
142 T D -0.1855
143 A D 0.0000
144 A D 0.0000
145 L D 0.0000
146 G D 0.0000
147 C D 0.0000
148 L D 0.0000
149 V D 0.0000
150 K D 0.0000
151 D D -0.3503
152 Y D 0.0000
153 F D 0.0000
154 P D 0.0000
155 E D -0.8819
156 P D -0.4460
157 V D 0.1172
158 T D -0.0019
159 V D 0.1760
160 S D -0.0355
161 W D 0.0000
162 N D -0.2853
163 S D -0.3416
164 G D -0.4940
165 A D 0.0144
166 L D 0.2218
167 T D -0.0687
168 S D -0.2670
169 G D -0.1956
170 V D 0.3308
171 H D -0.0487
172 T D -0.0577
173 F D 0.0000
174 P D -0.2162
175 A D 0.0306
176 V D 0.4988
177 L D 1.1419
178 Q D 0.0233
179 S D -0.2767
180 S D -0.2712
181 G D -0.1114
182 L D 0.1855
183 Y D 0.0000
184 S D 0.0000
185 L D 0.0000
186 S D 0.0000
187 S D 0.0000
188 V D 0.0000
189 V D 0.0000
190 T D -0.0114
191 V D 0.0000
192 P D -0.2687
193 S D -0.1141
194 S D -0.2228
195 S D -0.0709
196 L D 0.0000
197 G D -0.2382
198 T D -0.2645
199 Q D -0.9833
200 T D -0.1951
201 Y D 0.0000
202 I D 0.1911
203 C D 0.0000
204 N D -0.3697
205 V D 0.0000
206 N D -0.6601
207 H D 0.0000
208 K D -1.8691
209 P D -0.4068
210 S D -0.3199
211 N D -1.4940
212 T D -0.5686
213 K D -1.6873
214 V D -0.2502
215 D D -1.8042
216 K D -0.9708
217 K D -1.3787
218 V D 0.0000
219 E D 0.0000
220 P D -0.2090
221 K D -0.9511
222 S D -0.1802
223 C D 0.2984
224 D D -0.7436
225 K D -1.5267
226 T D -0.3907
227 H D -0.4903
228 T D -0.1000
229 C D 0.0000
230 P D 0.0000
231 P D -0.0130
232 C D 0.1269
233 P D -0.0570
234 A D -0.0247
235 P D -0.4466
236 E D -1.7801
237 L D 0.2637
238 L D 1.5418
239 G D -0.1567
240 G D -0.4880
241 P D 0.0000
242 S D -0.0911
243 V D 0.0000
244 F D 1.3787
245 L D 0.6490
246 F D 1.2607
247 P D 0.0219
248 P D 0.0000
249 K D -1.7068
250 P D -0.4203
251 K D -0.5197
252 D D -0.4836
253 T D 0.0000
254 L D 0.0000
255 M D 0.5571
256 I D 2.0089
257 S D -0.1245
258 R D -1.5896
259 T D -0.3474
260 P D 0.0000
261 E D -0.9838
262 V D 0.0000
263 T D -0.0095
264 C D 0.0000
265 V D 0.0000
266 V D 0.0000
267 V D 0.0440
268 D D -0.8406
269 V D 0.0000
270 S D -0.0776
271 H D -0.5240
272 E D -1.7164
273 D D -0.5083
274 P D -0.1670
275 E D -0.2986
276 V D 0.2617
277 K D -1.5284
278 F D -0.0387
279 N D -0.2074
280 W D 0.0000
281 Y D 0.0791
282 V D 0.1356
283 D D -1.4025
284 G D -0.3655
285 V D 1.5072
286 E D -0.5888
287 V D -0.0519
288 H D -1.1619
289 N D -1.4482
290 A D -0.5290
291 K D -1.7045
292 T D -0.5681
293 K D -1.2703
294 P D -0.7765
295 R D -2.0497
296 E D -2.2240
297 E D -0.9633
298 Q D -0.6638
299 Y D -0.0152
300 N D -0.2903
301 S D -0.0863
302 T D 0.0193
303 Y D -0.0326
304 R D -0.7385
305 V D 0.0000
306 V D 0.2312
307 S D 0.0000
308 V D 0.0000
309 L D 0.0000
310 T D -0.1704
311 V D 0.0000
312 L D 1.5283
313 H D -0.0431
314 Q D -1.2674
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Laboratory of Theory of Biopolymers 2015