Project name: 2A5-siderocalin

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

• Minimal score value: -3.9829
• Maximal score value: 2.4597
• Average score: -0.7436
• Total score value: -140.5476

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	M	A	1.8859
2	A	A	1.4830
3	A	A	1.8931
4	L	A	2.4597
5	R	A	1.1337
6	M	A	0.0000
7	L	A	1.8561
8	W	A	2.0783
9	M	A	0.0000
10	G	A	0.0000
11	L	A	2.2755
12	V	A	2.2716
13	L	A	1.7835
14	L	A	1.5289
15	G	A	0.5075
16	L	A	0.8103
17	L	A	0.0000
18	G	A	0.0000
19	F	A	0.0000
20	P	A	-0.0214
21	Q	A	-0.4047
22	T	A	-0.7810
23	P	A	-0.8276
24	A	A	-1.0868
25	Q	A	-1.7142
26	G	A	-1.1877
27	H	A	-1.2754
28	D	A	-1.0242
29	T	A	-0.8440
30	V	A	-0.5820
31	Q	A	-1.3493
32	P	A	-1.3030
33	N	A	-1.6736
34	F	A	-1.7465
35	Q	A	-2.3170
36	Q	A	-1.9235
37	D	A	-2.6923
38	K	A	-2.7319
39	F	A	0.0000
40	L	A	-1.2397
41	G	A	-1.3956
42	R	A	-1.8233
43	W	A	0.0000
44	Y	A	0.0000
45	S	A	0.0000
46	A	A	0.0000
47	G	A	0.0000
48	L	A	0.4552
49	A	A	0.0000
50	S	A	0.0000
51	N	A	-1.4430
52	S	A	-0.5904
53	S	A	-0.8191
54	W	A	-0.5475
55	F	A	-1.7527
56	R	A	-3.4450
57	E	A	-3.2288
58	K	A	-2.8146
59	K	A	-2.3176
60	A	A	-1.3239
61	V	A	-0.2612
62	L	A	-0.3306
63	Y	A	-0.6533
64	M	A	0.0000
65	C	A	-0.3636
66	K	A	-0.8419
67	T	A	0.0000
68	V	A	-0.4853
69	V	A	-0.2804
70	A	A	-0.4415
71	P	A	-1.0139
72	S	A	-1.0340
73	T	A	-1.3102
74	E	A	-2.3078
75	G	A	-1.8350
76	G	A	0.0000
77	L	A	0.0000
78	N	A	-0.1204
79	L	A	0.0000
80	T	A	0.2545
81	S	A	0.0000
82	T	A	0.0000
83	F	A	-1.0129
84	L	A	0.0000
85	R	A	-2.9343
86	K	A	-3.4708
87	N	A	-3.3670
88	Q	A	-3.0257
89	C	A	-2.2183
90	E	A	-2.3533
91	T	A	-0.9511
92	K	A	-0.6103
93	I	A	1.5002
94	M	A	1.0588
95	V	A	0.7881
96	L	A	0.0000
97	Q	A	-1.4710
98	P	A	-1.1063
99	A	A	-0.6115
100	G	A	-0.7607
101	A	A	-0.5338
102	P	A	-0.9038
103	G	A	0.0000
104	H	A	-0.4064
105	Y	A	0.0000
106	T	A	-0.1029
107	Y	A	0.3346
108	S	A	-0.2725
109	S	A	-0.5236
110	P	A	-0.8191
111	H	A	-1.2803
112	S	A	-0.9251
113	G	A	-0.9765
114	S	A	-1.0274
115	I	A	-0.2579
116	H	A	0.0000
117	S	A	0.0000
118	V	A	0.1971
119	S	A	0.0000
120	V	A	0.0000
121	V	A	0.0000
122	E	A	-1.9748
123	A	A	0.0000
124	N	A	-1.4531
125	Y	A	-1.5635
126	D	A	-2.2456
127	E	A	-1.6693
128	Y	A	-1.2325
129	A	A	0.0000
130	L	A	0.0000
131	L	A	-0.0555
132	F	A	0.0000
133	S	A	0.2230
134	R	A	0.0000
135	G	A	0.0000
136	T	A	0.0000
137	K	A	-1.5933
138	G	A	-1.2247
139	P	A	-0.8328
140	G	A	0.0000
141	Q	A	-1.3155
142	D	A	0.0000
143	F	A	-0.0720
144	R	A	0.0000
145	M	A	0.2280
146	A	A	0.0000
147	T	A	0.3486
148	L	A	0.0000
149	Y	A	-0.2460
150	S	A	0.0000
151	R	A	-1.7564
152	T	A	-1.5599
153	Q	A	-1.5482
154	T	A	-1.1149
155	L	A	-1.0420
156	K	A	-2.2180
157	D	A	-3.5940
158	E	A	-3.8067
159	L	A	0.0000
160	K	A	-2.9536
161	E	A	-3.9829
162	K	A	-3.2389
163	F	A	0.0000
164	T	A	-2.1396
165	T	A	-1.9435
166	F	A	0.0000
167	S	A	0.0000
168	K	A	-2.4809
169	A	A	-1.1644
170	Q	A	-1.1066
171	G	A	-1.2783
172	L	A	0.0000
173	T	A	-2.3666
174	E	A	-3.0667
175	E	A	-3.1201
176	D	A	-2.2541
177	I	A	-1.2542
178	V	A	0.0000
179	F	A	0.3403
180	L	A	0.0000
181	P	A	-0.4669
182	Q	A	-1.7753
183	P	A	-1.8024
184	D	A	-2.1731
185	K	A	-2.4199
186	C	A	-1.2039
187	I	A	0.5285
188	Q	A	-1.2365
189	E	A	-1.7956