Project name: human arylsulfatase a 1auk

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

• Minimal score value: -3.8868
• Maximal score value: 1.1989
• Average score: -0.4183
• Total score value: -200.7925

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
19	R	A	-2.2337
20	P	A	-1.5065
21	P	A	0.0000
22	N	A	0.0000
23	I	A	0.0000
24	V	A	0.0000
25	L	A	0.0000
26	I	A	0.0000
27	F	A	0.0000
28	A	A	0.0000
29	D	A	0.0000
30	D	A	0.0000
31	L	A	0.0000
32	G	A	0.0000
33	Y	A	0.2315
34	G	A	0.0000
35	D	A	0.0000
36	L	A	0.0000
37	G	A	-0.5119
38	C	A	-0.4970
39	Y	A	-0.2846
40	G	A	-0.4577
41	H	A	-0.5707
42	P	A	-0.6056
43	S	A	-0.6460
44	S	A	-0.5480
45	T	A	-0.7107
46	T	A	0.0000
47	P	A	-1.0316
48	N	A	-1.1957
49	L	A	0.0000
50	D	A	-1.3711
51	Q	A	-1.6867
52	L	A	0.0000
53	A	A	-0.5728
54	A	A	-0.5579
55	G	A	-0.5566
56	G	A	0.0000
57	L	A	0.2949
58	R	A	-0.0388
59	F	A	0.0000
60	T	A	-0.1611
61	D	A	0.0000
62	F	A	0.0000
63	Y	A	0.0000
64	V	A	0.0000
65	P	A	0.0000
66	V	A	0.0000
67	S	A	0.0000
68	L	A	0.0000
70	T	A	0.0000
71	P	A	0.0000
72	S	A	0.0000
73	R	A	0.0000
74	A	A	0.0000
75	A	A	0.0000
76	L	A	0.0000
77	L	A	0.0000
78	T	A	0.0000
79	G	A	0.0000
80	R	A	-0.1038
81	L	A	0.0000
82	P	A	0.0000
83	V	A	0.0000
84	R	A	-0.3728
85	M	A	0.0000
86	G	A	0.0000
87	M	A	0.0000
88	Y	A	0.4832
89	P	A	0.6401
90	G	A	0.6936
91	V	A	0.7558
92	L	A	0.0000
93	V	A	0.3567
94	P	A	0.0000
95	S	A	0.0000
96	S	A	0.0000
97	R	A	-2.1217
98	G	A	0.0000
99	G	A	0.0000
100	L	A	0.0000
101	P	A	0.0771
102	L	A	0.3648
103	E	A	-1.0909
104	E	A	0.0000
105	V	A	0.2977
106	T	A	0.0000
107	V	A	0.0000
108	A	A	0.0000
109	E	A	-0.6837
110	V	A	0.0000
111	L	A	0.0000
112	A	A	-0.6283
113	A	A	-0.6649
114	R	A	-1.2669
115	G	A	-0.8443
116	Y	A	0.0000
117	L	A	-0.8822
118	T	A	0.0000
119	G	A	0.0000
120	M	A	0.0000
121	A	A	0.0000
122	G	A	0.0000
123	K	A	0.0000
124	W	A	0.0000
125	H	A	0.0000
126	L	A	0.0000
127	G	A	0.0000
128	V	A	0.0000
129	G	A	0.0000
130	P	A	-1.2311
131	E	A	-1.6841
132	G	A	0.0000
133	A	A	-0.3701
134	F	A	-0.1334
135	L	A	0.0000
136	P	A	0.0000
137	P	A	-0.7467
138	H	A	-0.4557
139	Q	A	0.0000
140	G	A	-0.6860
141	F	A	0.0000
142	H	A	-1.4149
143	R	A	-1.8336
144	F	A	0.0000
145	L	A	-0.5398
146	G	A	0.0000
147	I	A	0.0000
148	P	A	0.0000
149	Y	A	0.0000
150	S	A	0.0000
151	H	A	0.0000
152	D	A	-0.7257
153	Q	A	0.0000
154	G	A	0.0000
155	P	A	-1.6605
156	C	A	0.0000
157	Q	A	-2.6491
158	N	A	-2.0532
159	L	A	-0.8863
160	T	A	-0.5022
161	C	A	0.0000
162	F	A	-0.3994
163	P	A	-0.4946
164	P	A	-0.4626
165	A	A	-0.2290
166	T	A	-0.5128
167	P	A	-1.3339
168	C	A	0.0000
169	D	A	-2.5179
170	G	A	-1.8381
171	G	A	-2.1412
172	C	A	0.0000
173	D	A	-2.3624
174	Q	A	-2.2651
175	G	A	-1.4041
176	L	A	-0.8476
177	V	A	0.0000
178	P	A	-0.5182
179	I	A	0.0000
180	P	A	0.0000
181	L	A	0.0000
182	L	A	0.0000
183	A	A	-0.6368
184	N	A	-0.7162
185	L	A	0.1548
186	S	A	-0.1208
187	V	A	-0.5628
188	E	A	-1.6023
189	A	A	0.0000
190	Q	A	0.0000
191	P	A	-0.1985
192	P	A	0.0000
193	W	A	1.1287
194	L	A	0.0000
195	P	A	0.0000
196	G	A	-0.3286
197	L	A	0.0000
198	E	A	-0.7156
199	A	A	-0.7172
200	R	A	-1.2965
201	Y	A	0.0000
202	M	A	0.0000
203	A	A	-0.8786
204	F	A	-0.9968
205	A	A	0.0000
206	H	A	-1.3656
207	D	A	-2.3780
208	L	A	0.0000
209	M	A	0.0000
210	A	A	-2.4172
211	D	A	-3.5171
212	A	A	0.0000
213	Q	A	-3.2317
214	R	A	-3.8868
215	Q	A	-3.6662
216	D	A	-3.6164
217	R	A	-2.6919
218	P	A	-1.7256
219	F	A	0.0000
220	F	A	0.0000
221	L	A	0.0000
222	Y	A	0.0000
223	Y	A	0.0000
224	A	A	0.0000
225	S	A	0.0000
226	H	A	0.0000
227	H	A	0.0000
228	T	A	0.0000
229	H	A	0.0000
230	Y	A	-0.4054
231	P	A	0.0000
232	Q	A	0.0000
233	F	A	0.0000
234	S	A	0.0000
235	G	A	-0.5692
236	Q	A	-1.7358
237	S	A	-1.2831
238	F	A	-1.3716
239	A	A	-1.8559
240	E	A	-3.0309
241	R	A	-3.0470
242	S	A	0.0000
243	G	A	-1.5756
244	R	A	-1.3799
245	G	A	-1.4902
246	P	A	-1.0276
247	F	A	0.0000
248	G	A	0.0000
249	D	A	0.0000
250	S	A	0.0000
251	L	A	0.0000
252	M	A	0.0000
253	E	A	0.0000
254	L	A	0.0000
255	D	A	0.0000
256	A	A	-0.1920
257	A	A	0.0000
258	V	A	0.0000
259	G	A	-0.3807
260	T	A	-0.1532
261	L	A	0.0000
262	M	A	-0.1977
263	T	A	-0.5727
264	A	A	0.0000
265	I	A	0.0000
266	G	A	-1.1869
267	D	A	-1.8215
268	L	A	-0.9154
269	G	A	-1.3729
270	L	A	0.0000
271	L	A	-1.4156
272	E	A	-2.7794
273	E	A	-3.0303
274	T	A	0.0000
275	L	A	0.0000
276	V	A	0.0000
277	I	A	0.0000
278	F	A	0.0000
279	T	A	0.0000
280	A	A	0.0000
281	D	A	0.0000
282	N	A	0.0000
283	G	A	0.0000
284	P	A	0.0000
285	E	A	0.0000
286	T	A	0.0128
287	M	A	-0.0321
288	R	A	-0.1732
289	M	A	0.5589
290	S	A	-0.1405
291	R	A	-0.7201
292	G	A	0.0000
293	G	A	-0.0299
294	C	A	0.2357
295	S	A	0.0000
296	G	A	0.2209
297	L	A	1.1989
298	L	A	0.0000
299	R	A	-0.3619
300	C	A	0.0000
301	G	A	0.0000
302	K	A	0.0000
303	G	A	0.0000
304	T	A	0.0000
305	T	A	0.0000
306	Y	A	0.0000
307	E	A	0.0000
308	G	A	0.0000
309	G	A	0.0000
310	V	A	0.0000
311	R	A	0.0000
312	E	A	0.0000
313	P	A	0.0000
314	A	A	0.0000
315	L	A	0.0000
316	A	A	0.0000
317	F	A	-0.1224
318	W	A	0.0000
319	P	A	-1.2451
320	G	A	-1.2632
321	H	A	-1.0850
322	I	A	0.0000
323	A	A	-0.1003
324	P	A	-0.1647
325	G	A	0.3176
326	V	A	0.9438
327	T	A	0.0000
328	H	A	-0.9223
329	E	A	-1.1993
330	L	A	0.0000
331	A	A	0.0000
332	S	A	0.0000
333	S	A	0.0000
334	L	A	0.0000
335	D	A	0.0000
336	L	A	0.0000
337	L	A	0.0000
338	P	A	0.0000
339	T	A	0.0000
340	L	A	0.0000
341	A	A	0.0000
342	A	A	-0.0366
343	L	A	-0.2742
344	A	A	0.0000
345	G	A	-0.7725
346	A	A	0.0000
347	P	A	-0.2193
348	L	A	0.6735
349	P	A	0.1686
350	N	A	-0.4624
351	V	A	0.6735
352	T	A	0.1752
353	L	A	0.3656
354	D	A	0.0583
355	G	A	0.0713
356	F	A	0.3971
357	D	A	-0.2929
358	L	A	0.0000
359	S	A	-0.2667
360	P	A	-0.6677
361	L	A	-0.7347
362	L	A	0.0000
363	L	A	0.0148
364	G	A	-0.5895
365	T	A	-0.5499
366	G	A	-1.1295
367	K	A	-1.9481
368	S	A	-1.4335
369	P	A	-1.0123
370	R	A	0.0000
371	Q	A	-1.5426
372	S	A	0.0000
373	L	A	0.0000
374	F	A	0.3245
375	F	A	0.0000
376	Y	A	0.0000
377	P	A	0.0000
378	S	A	0.5915
379	Y	A	1.1826
380	P	A	0.0571
381	D	A	-0.8066
382	E	A	-1.6015
383	V	A	0.1481
384	R	A	-0.9490
385	G	A	0.0000
386	V	A	0.0000
387	F	A	0.0000
388	A	A	0.0000
389	V	A	0.0000
390	R	A	0.0000
391	T	A	-0.7878
392	G	A	-1.2612
393	K	A	-1.6024
394	Y	A	-0.4241
395	K	A	0.0000
396	A	A	0.0000
397	H	A	0.0000
398	F	A	0.0000
399	F	A	-0.1113
400	T	A	0.1000
401	Q	A	-0.1684
402	G	A	0.0000
403	S	A	-0.3294
404	A	A	-0.3249
405	H	A	-0.4539
406	S	A	0.0000
407	D	A	-0.5938
408	T	A	-0.2146
409	T	A	-0.1995
410	A	A	-0.3116
411	D	A	-0.6515
412	P	A	-0.6118
413	A	A	-0.5415
414	C	A	0.0000
415	H	A	-0.7436
416	A	A	-0.4248
417	S	A	-0.4252
418	S	A	-0.3236
419	S	A	-0.1167
420	L	A	0.4118
421	T	A	-0.0013
422	A	A	-0.4467
423	H	A	-0.9340
424	E	A	-1.9812
425	P	A	-1.4051
426	P	A	0.0000
427	L	A	0.0202
428	L	A	0.0000
429	Y	A	0.0000
430	D	A	0.0000
431	L	A	0.0000
432	S	A	-1.4987
433	K	A	-1.8307
434	D	A	0.0000
435	P	A	-0.5371
436	G	A	-0.2805
437	E	A	0.0000
438	N	A	-0.7761
439	Y	A	0.4126
440	N	A	0.1538
441	L	A	0.5614
442	L	A	0.4581
443	G	A	-0.0820
448	A	A	-0.1512
449	T	A	-0.6115
450	P	A	-1.2149
451	E	A	-2.1150
452	V	A	0.0000
453	L	A	-0.9481
454	Q	A	-2.1384
455	A	A	-1.4851
456	L	A	-0.9849
457	K	A	-1.6068
458	Q	A	-0.9722
459	L	A	0.0000
460	Q	A	-0.3882
461	L	A	0.5480
462	L	A	0.0906
463	K	A	0.0000
464	A	A	-0.1747
465	Q	A	-0.8165
466	L	A	-0.3597
467	D	A	-0.9300
468	A	A	-0.7664
469	A	A	-0.3561
470	V	A	0.0000
471	T	A	-0.4430
472	F	A	-0.5235
473	G	A	-0.2279
474	P	A	-0.4443
475	S	A	-0.4031
476	Q	A	-0.6167
477	V	A	-0.4658
478	A	A	-1.0132
479	R	A	-2.1600
480	G	A	-1.9958
481	E	A	-2.6359
482	D	A	-1.9072
483	P	A	-1.0690
484	A	A	-0.6115
485	L	A	-0.8604
486	Q	A	-0.4322
487	I	A	-0.1769
488	C	A	-0.4451
489	C	A	-0.8190
490	H	A	-1.2996
491	P	A	-1.0265
492	G	A	-0.9268
493	C	A	-0.9191
494	T	A	-0.7725
495	P	A	-0.7857
496	R	A	-1.3570
497	P	A	-0.8876
498	A	A	-0.5635
499	C	A	-0.7620
500	C	A	0.0000
501	H	A	-1.0396
502	C	A	-0.7567
503	P	A	-0.4457