Project name: 2XJX HSP90 alpha

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

• Minimal score value: -4.9324
• Maximal score value: 1.8
• Average score: -0.9777
• Total score value: -216.0626

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
11	P	A	-0.8938
12	M	A	-0.3879
13	E	A	-2.6801
14	E	A	-3.6697
15	E	A	-4.0452
16	E	A	-3.1381
17	V	A	-1.4797
18	E	A	-1.9250
19	T	A	-0.6533
20	F	A	-0.0653
21	A	A	0.1121
22	F	A	0.0000
23	Q	A	-0.1059
24	A	A	-0.3918
25	E	A	-1.1181
26	I	A	0.0000
27	A	A	-0.8562
28	Q	A	-1.5282
29	L	A	0.0000
30	M	A	0.0000
31	S	A	-0.6786
32	L	A	-0.1868
33	I	A	0.0000
34	I	A	0.1225
35	N	A	-0.4447
36	T	A	0.5819
37	F	A	1.8000
38	Y	A	0.4091
39	S	A	-0.5569
40	N	A	-1.6739
41	K	A	-0.8842
42	E	A	-1.3400
43	I	A	0.0000
44	F	A	0.0000
45	L	A	0.0000
46	R	A	-0.9738
47	E	A	0.0000
48	L	A	0.0000
49	I	A	0.0000
50	S	A	-1.2116
51	N	A	-2.0253
52	S	A	0.0000
53	S	A	-1.6427
54	D	A	-2.8960
55	A	A	-1.7046
56	L	A	0.0000
57	D	A	-1.9262
58	K	A	-1.8454
59	I	A	0.0000
60	R	A	-1.2595
61	Y	A	0.5281
62	E	A	-0.2296
63	S	A	-0.3127
64	L	A	1.2491
65	T	A	0.2021
66	D	A	-0.6682
67	P	A	-1.1929
68	S	A	-1.4936
69	K	A	-1.8949
70	L	A	-2.3260
71	D	A	-2.5078
72	S	A	-1.7953
73	G	A	-2.0898
74	K	A	-3.2365
75	E	A	-2.7133
76	L	A	-1.3877
77	H	A	-0.6939
78	I	A	0.0000
79	N	A	0.3291
80	L	A	0.0000
81	I	A	0.4908
82	P	A	-0.9262
83	N	A	-2.4561
84	K	A	-3.5768
85	Q	A	-3.2432
86	D	A	-3.3831
87	R	A	-2.9477
88	T	A	0.0000
89	L	A	0.0000
90	T	A	0.0000
91	I	A	0.0000
92	V	A	0.1475
93	D	A	0.0000
94	T	A	-0.6984
95	G	A	0.0000
96	I	A	-0.6200
97	G	A	0.0000
98	M	A	-0.6447
99	T	A	-1.3352
100	K	A	-1.4395
101	A	A	-0.7898
102	D	A	-1.1855
103	L	A	0.0000
104	I	A	-0.3923
105	N	A	-0.9990
106	N	A	-1.1472
107	L	A	0.0000
108	G	A	0.0000
109	T	A	0.2446
110	I	A	0.6736
111	A	A	-0.1140
112	K	A	-0.7109
113	S	A	-0.5445
114	G	A	-0.8841
115	T	A	0.0000
116	K	A	-2.1604
117	A	A	-1.4256
118	F	A	0.0000
119	M	A	0.0000
120	E	A	-2.6455
121	A	A	-1.6290
122	L	A	0.0000
123	Q	A	-2.0252
124	A	A	-1.3149
125	G	A	-1.2626
126	A	A	-1.0467
127	D	A	-1.3004
128	I	A	0.0000
129	S	A	-0.7486
130	M	A	-0.2745
131	I	A	0.0000
132	G	A	-0.8230
133	Q	A	-1.1487
134	F	A	-0.6775
135	G	A	-0.8453
136	V	A	0.0000
137	G	A	0.0000
138	F	A	-0.1846
139	Y	A	0.0000
140	S	A	0.0000
141	A	A	0.0000
142	Y	A	0.0000
143	L	A	0.0000
144	V	A	0.0000
145	A	A	0.0000
146	E	A	-2.4860
147	K	A	-1.7515
148	V	A	0.0000
149	T	A	0.0000
150	V	A	0.0000
151	I	A	0.0000
152	T	A	0.0000
153	K	A	-1.3585
154	H	A	-1.5202
155	N	A	-2.0018
156	D	A	-2.6347
157	D	A	-2.4846
158	E	A	-2.7552
159	Q	A	0.0000
160	Y	A	0.0000
161	A	A	0.0000
162	W	A	0.0000
163	E	A	-0.6686
164	S	A	0.0000
165	S	A	-1.3067
166	A	A	-0.8178
167	G	A	-0.6838
168	G	A	-0.6114
169	S	A	-0.3697
170	F	A	0.0000
171	T	A	-0.5279
172	V	A	0.0000
173	R	A	-1.6337
174	T	A	-2.0108
175	D	A	-1.5511
176	T	A	-1.3150
177	G	A	-1.2611
178	E	A	-2.0915
179	P	A	-1.4799
180	M	A	-0.7293
181	G	A	-1.2308
182	R	A	0.0000
183	G	A	0.0000
184	T	A	-0.2678
185	K	A	-0.2412
186	V	A	0.0000
187	I	A	0.1248
188	L	A	0.0000
189	H	A	-1.8255
190	L	A	0.0000
191	K	A	-2.5793
192	E	A	-3.3503
193	D	A	-3.0282
194	Q	A	-2.1943
195	T	A	-2.1938
196	E	A	-2.2679
197	Y	A	0.0000
198	L	A	0.0000
199	E	A	-2.3465
200	E	A	-2.2953
201	R	A	-3.4148
202	R	A	-2.9842
203	I	A	0.0000
204	K	A	-3.5246
205	E	A	-4.0978
206	I	A	0.0000
207	V	A	-2.2875
208	K	A	-3.5549
209	K	A	-3.5792
210	H	A	-2.0275
211	S	A	0.0000
212	Q	A	-1.1208
213	F	A	1.1976
214	I	A	0.8505
215	G	A	-0.0319
216	Y	A	0.0700
217	P	A	0.0550
218	I	A	0.5808
219	T	A	0.6765
220	L	A	0.7395
221	F	A	1.1736
222	V	A	-0.1256
223	E	A	-3.1331
224	K	A	-3.7926
225	E	A	-4.6395
226	R	A	-4.9324
227	D	A	-4.3171
228	K	A	-3.6855
229	E	A	-2.6856
230	V	A	-0.6828
231	S	A	-1.6509