Project name: BSA_lig

Chain sequence(s)	A: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
Distance of aggregation	10 Å
Dynamic mode	No

• Minimal score value: -3.9656
• Maximal score value: 1.2067
• Average score: -1.1308
• Total score value: -655.8687

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
1	D	A	-2.2355
2	T	A	-1.9089
3	H	A	-2.7443
4	K	A	-3.4604
5	S	A	0.0000
6	E	A	-2.4684
7	I	A	0.0000
8	A	A	0.0000
9	H	A	-2.3907
10	R	A	-2.0901
11	F	A	0.0000
12	K	A	-3.1915
13	D	A	-3.1052
14	L	A	-2.2344
15	G	A	-2.4670
16	E	A	-3.2702
17	E	A	-2.8566
18	H	A	-1.9579
19	F	A	0.0000
20	K	A	-1.7410
21	G	A	0.0000
22	L	A	0.0000
23	V	A	0.0000
24	L	A	0.0000
25	I	A	0.0000
26	A	A	0.0000
27	F	A	0.0000
28	S	A	0.0000
29	Q	A	0.0000
30	Y	A	0.0000
31	L	A	0.0000
32	Q	A	0.0000
33	Q	A	-1.4103
34	C	A	0.0000
35	P	A	-1.2428
36	F	A	-1.5658
37	D	A	-2.6308
38	E	A	-2.3592
39	H	A	0.0000
40	V	A	-2.0564
41	K	A	-2.8607
42	L	A	-1.9767
43	V	A	0.0000
44	N	A	-2.4362
45	E	A	-3.0210
46	L	A	0.0000
47	T	A	0.0000
48	E	A	-2.9829
49	F	A	-1.5868
50	A	A	0.0000
51	K	A	-2.6639
52	T	A	-1.6989
53	C	A	0.0000
54	V	A	-1.3039
55	A	A	-1.1580
56	D	A	-2.3203
57	E	A	-3.2759
58	S	A	-2.0874
59	H	A	-1.7314
60	A	A	-1.2170
61	G	A	-1.4239
62	C	A	0.0000
63	E	A	-3.5286
64	K	A	-2.5463
66	L	A	-0.7674
67	H	A	-0.8441
68	T	A	-1.0745
69	L	A	0.0000
70	F	A	-0.0609
71	G	A	0.0000
72	D	A	-0.8248
73	E	A	-1.2562
74	L	A	0.0000
75	C	A	-1.1902
76	K	A	-1.7094
77	V	A	-0.8160
78	A	A	-0.5916
79	S	A	-0.8588
80	L	A	0.0000
82	E	A	-2.1527
83	T	A	-1.3710
84	Y	A	-1.3923
85	G	A	-2.0371
86	D	A	-2.7570
87	M	A	0.0000
88	A	A	-1.9355
89	D	A	-3.0734
90	C	A	0.0000
91	C	A	-2.3107
92	E	A	-3.0877
93	K	A	-3.2688
94	Q	A	-2.5560
95	E	A	-1.9922
96	P	A	-1.8267
97	E	A	-2.3385
98	R	A	0.0000
99	N	A	0.0000
100	E	A	-2.3624
101	C	A	-1.6715
102	F	A	0.0000
103	L	A	-0.7736
104	S	A	-0.9888
105	H	A	-1.0240
106	K	A	0.0000
107	D	A	-1.3553
108	D	A	-1.1686
109	S	A	-1.1480
110	P	A	-1.4681
111	D	A	-2.2743
112	L	A	-1.3218
113	P	A	-1.3626
114	K	A	-1.9842
115	L	A	-0.9139
116	K	A	-2.0920
117	P	A	-1.4816
118	D	A	-1.8188
119	P	A	-2.0746
120	N	A	-2.4333
121	T	A	-2.0359
122	L	A	-2.0605
123	C	A	0.0000
124	D	A	-3.5818
125	E	A	-3.9656
126	F	A	0.0000
127	K	A	-3.7087
128	A	A	-2.9571
129	D	A	-3.6143
130	E	A	-3.9322
131	K	A	-3.7927
132	K	A	-3.4359
133	F	A	0.0000
134	W	A	-1.9875
135	G	A	0.0000
136	K	A	-1.4864
137	Y	A	-0.4913
138	L	A	0.0000
139	Y	A	0.0000
140	E	A	0.0000
141	I	A	0.1516
142	A	A	0.0000
143	R	A	0.0000
144	R	A	-0.8150
145	H	A	-0.2121
146	P	A	0.0000
147	Y	A	-0.1442
148	F	A	0.0000
149	Y	A	0.0019
150	A	A	0.0000
151	P	A	0.0000
152	E	A	0.0000
153	L	A	0.0000
154	L	A	0.0000
155	Y	A	0.0000
156	Y	A	0.0000
157	A	A	0.0000
158	N	A	-1.4750
159	K	A	-1.5318
160	Y	A	-0.8496
161	N	A	0.0000
162	G	A	-1.5673
163	V	A	0.0000
164	F	A	0.0000
165	Q	A	-2.6281
166	E	A	-2.3647
167	C	A	0.0000
168	C	A	0.0000
169	Q	A	-2.4869
170	A	A	-2.4826
171	E	A	-3.0464
172	D	A	-3.0294
173	K	A	-2.3318
174	G	A	-1.4064
175	A	A	-0.9229
176	C	A	-1.1288
177	L	A	0.0000
178	L	A	-0.6674
179	P	A	-1.0218
180	K	A	-1.4152
181	I	A	-1.4409
182	E	A	-2.6085
183	T	A	-2.0190
184	M	A	0.0000
186	E	A	-2.4277
187	K	A	-1.9891
188	V	A	0.0000
189	L	A	0.2430
190	T	A	-0.4229
191	S	A	-0.4442
192	S	A	0.0259
193	A	A	-0.1311
194	R	A	-0.4828
195	Q	A	0.0000
196	R	A	-0.4292
197	L	A	-0.2267
198	R	A	-0.6569
199	C	A	0.0000
200	A	A	0.0000
201	S	A	0.0000
202	I	A	-1.8016
203	Q	A	-1.8105
204	K	A	-1.9985
205	F	A	-1.3897
206	G	A	-1.9744
207	E	A	-3.1487
208	R	A	-3.0380
209	A	A	-1.6493
210	L	A	0.0000
211	K	A	-2.2587
212	A	A	-1.2708
213	W	A	-0.6111
214	S	A	0.0000
215	V	A	0.0000
216	A	A	0.0000
217	R	A	-0.6560
218	L	A	0.0000
219	S	A	0.0000
220	Q	A	0.0000
221	K	A	0.0000
222	F	A	0.0000
223	P	A	0.0000
224	K	A	-1.9751
225	A	A	0.0000
226	E	A	-1.6166
227	F	A	-0.1605
228	V	A	0.9547
229	E	A	-0.4549
230	V	A	0.0000
231	T	A	-0.4470
232	K	A	-1.0752
233	L	A	0.0000
234	V	A	0.0000
235	T	A	-1.3528
236	D	A	-2.1865
237	L	A	-1.2190
238	T	A	0.0000
239	K	A	-2.2135
240	V	A	0.0000
241	H	A	0.0000
242	K	A	-1.9521
243	E	A	-1.3970
244	C	A	0.0000
245	C	A	0.0000
246	H	A	-1.1574
247	G	A	-0.7887
248	D	A	-0.7446
249	L	A	0.0000
250	L	A	0.0000
251	E	A	-1.1597
252	C	A	0.0000
253	A	A	0.0000
254	D	A	-1.6064
255	D	A	-2.1386
256	R	A	0.0000
257	A	A	-1.6171
258	D	A	-2.7564
259	L	A	0.0000
260	A	A	0.0000
261	K	A	-2.6645
262	Y	A	-1.6885
263	I	A	0.0000
264	C	A	-2.3949
265	D	A	-2.5773
266	N	A	-2.0313
267	Q	A	-2.1687
268	D	A	-2.7370
269	T	A	-1.9291
270	I	A	0.0000
271	S	A	0.0000
272	S	A	-2.0532
273	K	A	-2.4285
274	L	A	0.0000
275	K	A	-3.4316
276	E	A	-3.4076
277	C	A	0.0000
278	C	A	-2.7614
279	D	A	-3.0447
280	K	A	-2.2510
281	P	A	-0.8309
282	L	A	-0.2173
283	L	A	0.0000
284	E	A	-1.2628
285	K	A	-1.6186
286	S	A	0.0000
287	H	A	-0.8439
288	C	A	-1.4478
289	I	A	0.0000
290	A	A	-1.2498
291	E	A	-2.3320
292	V	A	0.0000
293	E	A	-2.8746
294	K	A	-2.2397
295	D	A	-1.3389
296	A	A	-0.6934
297	I	A	-0.2943
298	P	A	-1.1818
299	E	A	-2.1722
300	N	A	-2.0055
301	L	A	-0.9319
302	P	A	-0.9525
303	P	A	-0.6887
304	L	A	-0.6364
305	T	A	-1.1234
306	A	A	-1.6653
307	D	A	-3.0006
308	F	A	0.0000
309	A	A	0.0000
310	E	A	-3.2261
311	D	A	-3.6873
312	K	A	-3.6000
313	D	A	-3.3289
314	V	A	0.0000
315	C	A	-2.5456
316	K	A	-3.5891
317	N	A	-3.7465
318	Y	A	0.0000
319	Q	A	-3.6085
320	E	A	-3.5850
321	A	A	-2.7307
322	K	A	-3.3369
323	D	A	-3.0480
324	A	A	-1.6928
325	F	A	0.0000
326	L	A	0.0000
327	G	A	-0.9906
328	S	A	-0.4128
329	F	A	0.0000
330	L	A	0.0000
331	Y	A	0.0000
332	E	A	-0.6344
333	Y	A	0.0000
334	S	A	0.0000
335	R	A	0.0000
336	R	A	-0.3651
337	H	A	-0.7466
338	P	A	-1.1416
339	E	A	-2.1194
340	Y	A	-0.9691
341	A	A	0.0000
342	V	A	-0.1005
343	S	A	0.0909
344	V	A	0.0000
345	L	A	0.0000
346	L	A	-0.2351
347	R	A	0.0000
348	L	A	0.0000
349	A	A	-0.8680
350	K	A	-1.7569
351	E	A	-1.6278
352	Y	A	0.0000
353	E	A	-1.9662
354	A	A	-1.7288
355	T	A	0.0000
356	L	A	0.0000
357	E	A	-3.0321
358	E	A	-2.8854
359	C	A	0.0000
360	C	A	-2.0977
361	A	A	-2.0738
362	K	A	-3.0889
363	D	A	-2.9760
364	D	A	-2.5037
365	P	A	-2.1388
366	H	A	-1.8416
367	A	A	-0.9505
368	C	A	-0.8383
369	Y	A	0.0000
370	S	A	-1.1121
371	T	A	-1.0898
372	V	A	0.0000
373	F	A	-1.8216
374	D	A	-3.3656
375	K	A	-3.3137
376	L	A	0.0000
377	K	A	-3.4644
378	H	A	-3.4739
379	L	A	-2.4727
380	V	A	-1.9942
381	D	A	-3.3710
382	E	A	-3.0883
383	P	A	0.0000
384	Q	A	-2.5375
385	N	A	-2.8173
386	L	A	-1.8100
387	I	A	0.0000
388	K	A	-3.5022
389	Q	A	-3.0178
390	N	A	-2.4211
391	C	A	0.0000
392	D	A	-3.7602
393	Q	A	-2.6499
394	F	A	-2.2268
395	E	A	-3.1391
396	K	A	-2.7923
397	L	A	-0.8233
398	G	A	-1.1123
399	E	A	-0.8346
400	Y	A	0.3165
401	G	A	-0.1285
402	F	A	0.0000
403	Q	A	0.0000
404	N	A	-0.1193
405	A	A	-0.2536
406	L	A	-0.1917
407	I	A	0.0000
408	V	A	-0.5352
409	R	A	-0.8955
410	Y	A	0.0000
411	T	A	0.0000
412	R	A	-1.2900
413	K	A	-0.8583
414	V	A	0.0000
415	P	A	0.0000
416	Q	A	-0.5322
417	V	A	0.0000
418	S	A	-0.2055
419	T	A	0.0000
420	P	A	-0.4415
421	T	A	0.0000
422	L	A	0.0000
423	V	A	0.0000
424	E	A	-1.0888
425	V	A	0.0000
426	S	A	0.0000
427	R	A	-0.6155
428	S	A	-0.5676
429	L	A	0.0000
430	G	A	0.0000
431	K	A	-0.8583
432	V	A	0.0000
433	G	A	0.0000
434	T	A	-0.9770
435	R	A	-0.8781
436	C	A	0.0000
437	C	A	0.0000
438	T	A	-1.2488
439	K	A	-1.8032
440	P	A	-2.0487
441	E	A	-2.9841
442	S	A	-2.3108
443	E	A	-2.8246
444	R	A	-2.2362
445	M	A	0.0000
446	P	A	-1.1943
447	C	A	-0.9261
448	T	A	0.0000
449	E	A	0.0000
450	D	A	-0.4180
451	Y	A	-0.1749
452	L	A	0.0839
453	S	A	-0.0943
454	L	A	0.0000
455	I	A	-0.1057
456	L	A	0.0000
457	N	A	0.0000
458	R	A	-0.5764
459	L	A	0.0000
460	C	A	0.0000
461	V	A	-0.6587
462	L	A	-0.8169
463	H	A	0.0000
464	E	A	-1.6736
465	K	A	-2.1927
466	T	A	-1.0059
467	P	A	-0.8938
468	V	A	-0.0114
469	S	A	0.0000
470	E	A	-2.0180
471	K	A	-1.3007
472	V	A	0.0000
473	T	A	-1.5490
474	K	A	-2.0348
475	C	A	0.0000
476	C	A	0.0000
477	T	A	-1.5241
478	E	A	-2.1183
479	S	A	-1.3237
480	L	A	-0.3414
481	V	A	-0.3680
482	N	A	-0.9557
483	R	A	0.0000
484	R	A	0.0000
485	P	A	-0.3633
486	C	A	-0.4038
487	F	A	0.0000
488	S	A	0.0071
489	A	A	0.0819
490	L	A	-0.1504
491	T	A	-0.8136
492	P	A	-1.6035
493	D	A	-1.8352
494	E	A	-2.2553
495	T	A	-0.8309
496	Y	A	-0.2407
497	V	A	0.8936
498	P	A	-0.5041
499	K	A	-1.4674
500	A	A	-0.8641
501	F	A	-1.2279
502	D	A	-2.6373
503	E	A	-2.9485
504	K	A	-2.6499
505	L	A	-1.2956
506	F	A	-0.8150
507	T	A	-1.0608
508	F	A	-1.0952
509	H	A	-1.9389
510	A	A	-2.0544
511	D	A	-2.3068
512	I	A	0.0000
513	C	A	-1.0511
514	T	A	-1.1229
515	L	A	-1.3843
516	P	A	-1.6853
517	D	A	-2.3682
518	T	A	-1.7123
519	E	A	-2.3014
520	K	A	-2.2123
521	Q	A	-1.3342
522	I	A	-0.9290
523	K	A	-1.1375
524	K	A	-0.6809
525	Q	A	0.0000
526	T	A	-0.3320
527	A	A	-0.0866
528	L	A	0.0000
529	V	A	0.0000
530	E	A	-0.5192
531	L	A	0.0000
532	L	A	0.0000
533	K	A	0.0000
534	H	A	-1.0043
535	K	A	-1.1720
536	P	A	-1.4344
537	K	A	-2.3191
538	A	A	0.0000
539	T	A	-2.3782
540	E	A	-3.4764
541	E	A	-3.5211
542	Q	A	-2.4242
543	L	A	0.0000
544	K	A	-3.4913
545	T	A	-2.4507
546	V	A	0.0000
547	M	A	-1.2228
548	E	A	-2.0855
549	N	A	-1.3813
550	F	A	0.0000
551	V	A	-0.1790
552	A	A	-0.9646
553	F	A	0.0000
554	V	A	-0.8347
555	D	A	-1.8646
556	K	A	-1.9324
557	C	A	0.0000
558	C	A	-1.7601
559	A	A	-1.3543
560	A	A	-2.1812
561	D	A	-2.9304
562	D	A	-3.3686
563	K	A	-3.0666
564	E	A	-2.9384
565	A	A	-1.4293
566	C	A	-1.2131
567	F	A	0.0000
568	A	A	-0.1903
569	V	A	0.8607
570	E	A	-0.3300
571	G	A	-0.0197
572	P	A	-0.2284
573	K	A	-0.8245
574	L	A	-0.0850
575	V	A	0.3375
576	V	A	1.2067
577	S	A	0.2315
578	T	A	0.0936
579	Q	A	0.3300
580	T	A	0.2786
581	A	A	0.0310
582	L	A	0.0000
583	A	A	-0.1444