Project name: Acerogenin B Vs SGLT 9 human

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

• Minimal score value: -3.3654
• Maximal score value: 3.5841
• Average score: 0.0899
• Total score value: 42.5404

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
18	K	A	-2.9129
19	K	A	-3.1911
20	K	A	-3.2453
21	L	A	-2.2036
22	D	A	-2.0604
23	W	A	0.1914
24	S	A	0.4574
25	C	A	1.1252
26	S	A	1.0123
27	L	A	0.0000
28	L	A	1.9493
29	V	A	1.8511
30	A	A	0.0000
31	S	A	0.0000
32	L	A	1.9616
33	A	A	0.0000
34	G	A	0.0000
35	A	A	0.0000
36	F	A	1.2296
37	G	A	0.0000
38	S	A	0.0000
39	S	A	0.0000
40	F	A	0.0000
41	L	A	0.0000
42	Y	A	0.0000
43	G	A	0.0000
44	Y	A	0.0000
45	N	A	0.0000
46	L	A	0.6072
47	S	A	0.4472
48	V	A	0.8115
49	V	A	0.0000
50	N	A	0.3171
51	A	A	-0.0161
52	P	A	-0.5190
53	T	A	-0.3900
54	P	A	-0.6120
55	Y	A	0.0000
56	I	A	0.0654
57	K	A	-1.0504
58	A	A	0.3015
59	F	A	1.3638
60	Y	A	1.0162
61	N	A	-0.1066
62	E	A	-1.0404
63	S	A	-0.4022
64	W	A	-0.6691
65	E	A	-2.0015
66	R	A	-2.6161
67	R	A	-3.3508
68	H	A	-3.0086
69	G	A	-2.7094
70	R	A	-2.4524
71	P	A	-0.7693
72	I	A	0.3579
73	D	A	-1.7534
74	P	A	-1.9405
75	D	A	-1.4027
76	T	A	-0.3955
77	L	A	-0.4134
78	T	A	0.3657
79	L	A	1.6253
80	L	A	1.3006
81	W	A	1.4902
82	S	A	1.5100
83	V	A	1.6906
84	T	A	0.0000
85	V	A	1.1573
86	S	A	1.0380
87	I	A	1.2692
88	F	A	0.0000
89	A	A	0.0000
90	I	A	1.1754
91	G	A	0.0000
92	G	A	0.0000
93	L	A	1.2562
94	V	A	1.3807
95	G	A	0.0000
96	T	A	0.0000
97	L	A	1.6763
98	I	A	1.4324
99	V	A	0.0000
100	K	A	0.8790
101	M	A	1.6953
102	I	A	1.3296
103	G	A	0.0000
104	K	A	0.4711
105	V	A	1.7216
106	L	A	1.0574
107	G	A	0.0000
108	R	A	0.0000
109	K	A	0.0000
110	H	A	-0.2171
111	T	A	0.0000
112	L	A	0.0000
113	L	A	0.2424
114	A	A	0.1539
115	N	A	0.0000
116	N	A	0.0000
117	G	A	0.3044
118	F	A	0.8352
119	A	A	0.8082
120	I	A	1.1540
121	S	A	0.8778
122	A	A	0.0000
123	A	A	0.0000
124	L	A	2.0256
125	L	A	1.4160
126	M	A	1.0709
127	A	A	1.0449
128	C	A	0.8590
129	S	A	0.0000
130	L	A	0.4642
131	Q	A	-0.5790
132	A	A	-0.0951
133	G	A	-0.3092
134	A	A	-0.0921
135	F	A	0.0907
136	E	A	-1.0441
137	M	A	0.2407
138	L	A	0.0000
139	I	A	0.9240
140	V	A	1.5258
141	G	A	0.0000
142	R	A	0.0000
143	F	A	1.7537
144	I	A	1.4045
145	M	A	1.0567
146	G	A	0.0000
147	I	A	1.0852
148	D	A	0.0000
149	G	A	0.0000
150	G	A	0.0000
151	V	A	0.0000
152	A	A	0.0000
153	L	A	0.0000
154	S	A	0.0000
155	V	A	0.0000
156	L	A	0.0000
157	P	A	0.0000
158	M	A	0.0000
159	Y	A	0.0000
160	L	A	0.0000
161	S	A	0.0000
162	E	A	0.0000
163	I	A	0.0000
164	S	A	0.0000
165	P	A	0.0000
166	K	A	-1.5462
167	E	A	-1.8360
168	I	A	0.0000
169	R	A	0.0000
170	G	A	0.0000
171	S	A	0.0000
172	L	A	0.0000
173	G	A	0.0000
174	Q	A	0.0000
175	V	A	0.8778
176	T	A	0.0000
177	A	A	0.6016
178	I	A	1.4196
179	F	A	1.2550
180	I	A	0.8893
181	C	A	1.1457
182	I	A	1.2165
183	G	A	0.0000
184	V	A	0.9349
185	F	A	0.8071
186	T	A	0.5832
187	G	A	0.5442
188	Q	A	0.0818
189	L	A	0.7294
190	L	A	0.8298
191	G	A	0.5040
192	L	A	0.9882
193	P	A	0.6373
194	E	A	0.1878
195	L	A	0.8612
196	L	A	1.2128
197	G	A	-0.5548
198	K	A	-1.9622
199	E	A	-2.0783
200	S	A	-1.1791
201	T	A	-0.1409
202	W	A	0.5616
203	P	A	0.7696
204	Y	A	1.6399
205	L	A	1.4999
206	F	A	1.6172
207	G	A	1.4869
208	V	A	1.5648
209	I	A	1.6385
210	V	A	2.0912
211	V	A	2.4348
212	P	A	0.0000
213	A	A	0.0000
214	V	A	2.5432
215	V	A	2.4659
216	Q	A	0.0000
217	L	A	2.2787
218	L	A	2.6632
219	S	A	1.9212
220	L	A	0.0000
221	P	A	1.2750
222	F	A	2.2657
223	L	A	1.1286
224	P	A	-0.0902
225	D	A	-0.2261
226	S	A	0.0000
227	P	A	0.0000
228	R	A	0.0000
229	Y	A	0.0000
230	L	A	0.0000
231	L	A	0.0000
232	L	A	-1.3267
233	E	A	-1.4555
234	K	A	-2.6815
235	H	A	-2.7634
236	N	A	-2.8220
237	E	A	-3.0577
238	A	A	-2.1066
239	R	A	-2.9105
240	A	A	0.0000
241	V	A	-1.8682
242	K	A	-2.6995
243	A	A	0.0000
244	F	A	0.0000
245	Q	A	-1.9804
246	T	A	-0.9320
247	F	A	0.0000
248	L	A	0.0000
249	G	A	-1.6315
250	K	A	-2.8261
251	A	A	-2.0364
252	D	A	-2.7778
253	V	A	0.0000
254	S	A	-1.8642
255	Q	A	-2.7476
256	E	A	-1.9615
257	V	A	0.0000
258	E	A	-2.1795
259	E	A	-1.4726
260	V	A	0.0000
261	L	A	-0.5626
262	A	A	-0.9262
263	E	A	0.0000
264	S	A	0.0000
265	R	A	-2.0475
266	V	A	-1.0895
267	Q	A	-1.3281
268	R	A	-2.6705
269	S	A	-1.4394
270	I	A	-0.7568
271	R	A	-1.5674
272	L	A	0.3647
273	V	A	0.0000
274	S	A	0.2314
275	V	A	0.8631
276	L	A	0.8892
277	E	A	-0.6988
278	L	A	0.0000
279	L	A	-0.2046
280	R	A	-1.6686
281	A	A	-0.7430
282	P	A	-0.7139
283	Y	A	-0.2198
284	V	A	0.0000
285	R	A	-1.0413
286	W	A	0.0699
287	Q	A	0.0000
288	V	A	0.0000
289	V	A	0.7553
290	T	A	0.0000
291	V	A	0.0000
292	I	A	1.0935
293	V	A	0.9637
294	T	A	0.0000
295	M	A	0.0000
296	A	A	0.6171
297	C	A	0.0000
298	Y	A	0.3885
299	Q	A	0.1952
300	L	A	0.5547
301	C	A	0.0000
302	G	A	0.0000
303	L	A	0.3115
304	N	A	0.0604
305	A	A	0.0000
306	I	A	0.0000
307	W	A	0.8098
308	F	A	1.3043
309	Y	A	0.8582
310	T	A	-0.0282
311	N	A	-1.0512
312	S	A	-0.7585
313	I	A	0.0000
314	F	A	0.0000
315	G	A	-1.7536
316	K	A	-2.3066
317	A	A	-0.7991
318	G	A	-1.3145
319	I	A	-0.9993
320	P	A	-0.9027
321	P	A	-0.8528
322	A	A	-0.3933
323	K	A	-0.8979
324	I	A	0.0000
325	P	A	0.0371
326	Y	A	0.9993
327	V	A	0.4635
328	T	A	0.2628
329	L	A	0.6698
330	S	A	0.5755
331	T	A	0.0000
332	G	A	0.6744
333	G	A	0.7366
334	I	A	1.0938
335	E	A	1.0441
336	T	A	1.7311
337	L	A	2.6715
338	A	A	2.2028
339	A	A	0.0000
340	V	A	3.4509
341	F	A	3.5841
342	S	A	0.0000
343	G	A	0.0000
344	L	A	2.4720
345	V	A	1.8015
346	I	A	0.0000
347	E	A	-0.2163
348	H	A	-0.3283
349	L	A	0.8771
350	G	A	0.0000
351	R	A	0.0000
352	R	A	-0.1976
353	P	A	0.1968
354	L	A	0.1473
355	L	A	0.0000
356	I	A	0.6583
357	G	A	-0.1231
358	G	A	0.0000
359	F	A	0.0000
360	G	A	1.0654
361	L	A	1.1191
362	M	A	0.0000
363	G	A	0.0000
364	L	A	1.9074
365	F	A	0.0000
366	F	A	0.0000
367	G	A	1.2245
368	T	A	1.1478
369	L	A	0.0000
370	T	A	0.0000
371	I	A	2.4129
372	T	A	0.0000
373	L	A	0.3062
374	T	A	0.6023
375	L	A	0.6290
376	Q	A	-0.4170
377	D	A	-2.2040
378	H	A	-1.4848
379	A	A	-0.5278
380	P	A	-0.0456
381	W	A	1.3574
382	V	A	0.0000
383	P	A	0.5757
384	Y	A	2.0709
385	L	A	2.0772
386	S	A	0.0000
387	I	A	1.4859
388	V	A	2.0537
389	G	A	1.4201
390	I	A	0.0000
391	L	A	1.0829
392	A	A	0.9687
393	I	A	0.0000
394	I	A	0.0000
395	A	A	0.6636
396	S	A	0.0000
397	F	A	0.0000
398	C	A	0.0000
399	S	A	0.5292
400	G	A	0.0000
401	P	A	0.0000
402	G	A	-0.0208
403	G	A	0.0000
404	I	A	0.0000
405	P	A	0.0000
406	F	A	0.0000
407	I	A	0.0000
408	L	A	0.0000
409	T	A	0.0000
410	G	A	0.0000
411	E	A	0.0000
412	F	A	0.0000
413	F	A	0.0000
414	Q	A	0.0000
415	Q	A	0.0000
416	S	A	0.0000
417	Q	A	0.0000
418	R	A	0.0000
419	P	A	0.0000
420	A	A	0.0000
421	A	A	0.0000
422	F	A	0.0000
423	I	A	0.0000
424	I	A	0.0000
425	A	A	0.0000
426	G	A	0.0000
427	T	A	0.8043
428	V	A	0.7438
429	N	A	0.0000
430	W	A	0.0000
431	L	A	1.0667
432	S	A	0.5291
433	N	A	0.4488
434	F	A	1.1703
435	A	A	0.9569
436	V	A	0.0000
437	G	A	0.6187
438	L	A	1.5192
439	L	A	2.3237
440	F	A	0.0000
441	P	A	0.8334
442	F	A	1.8621
443	I	A	1.3777
444	Q	A	-0.1531
445	K	A	-1.3431
446	S	A	-0.2101
447	L	A	0.4781
448	D	A	-1.1495
449	T	A	0.1978
450	Y	A	1.7227
451	C	A	0.0000
452	F	A	0.0000
453	L	A	1.6339
454	V	A	1.9283
455	F	A	0.0000
456	A	A	1.4634
457	T	A	1.1490
458	I	A	1.4290
459	C	A	0.0000
460	I	A	2.4141
461	T	A	1.5032
462	G	A	0.0000
463	A	A	0.0000
464	I	A	2.8303
465	Y	A	2.2282
466	L	A	0.0000
467	Y	A	2.6869
468	F	A	3.0020
469	V	A	1.5632
470	L	A	0.0000
471	P	A	0.1045
472	E	A	-0.8700
473	T	A	0.0000
474	K	A	-2.0540
475	N	A	-2.9580
476	R	A	-2.6615
477	T	A	0.0000
478	Y	A	0.0000
479	A	A	-0.8534
480	E	A	-1.6969
481	I	A	0.0000
482	S	A	-1.1637
483	Q	A	-2.0200
484	A	A	-1.8567
485	F	A	0.0000
486	S	A	-2.1848
487	K	A	-3.3654
488	R	A	-3.2590
489	N	A	-2.3960
490	K	A	-2.7276