Project name: 4mbe modifed

Chain sequence(s)	A: LNSELLEEQKQEIYEAFSLFDMNNDGFLDYHELKVAMKALGFELPKREILDLIDEYDSEGRHLMKYDDFYIVMGEKILKRDPLDEIKRAFQLFDDDHTGKISIKNLRRVAKELGETLTDEELRAMIEEFDLDGDGEINENEFIAICTDS; X: DKESIV; C: TMDTAQLKSQIQQYLVESGNYELISNELKARLLQEGWVDKVKDLTKSEMNINESTNFTQILSTVEPKALEMVSDSTRETVLKQIREFLEEIVDT; B: YRKDFIDTMTRELYDAFLHERLYLIYMDSRAELKRNSTLKKKFFEKWQAS
Distance of aggregation	10 Å
Dynamic mode	No

• Minimal score value: -3.848
• Maximal score value: 1.1596
• Average score: -1.3079
• Total score value: -391.0498

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
13	L	A	-0.5122
14	N	A	-1.5459
15	S	A	-1.4734
16	E	A	-2.0155
17	L	A	0.0000
18	L	A	-1.0116
19	E	A	-2.5664
20	E	A	-1.9985
21	Q	A	-1.3584
22	K	A	-1.6315
23	Q	A	-1.7495
24	E	A	0.0000
25	I	A	0.0000
26	Y	A	0.5452
27	E	A	-0.3918
28	A	A	0.0000
29	F	A	0.0000
30	S	A	-0.2076
31	L	A	-0.0058
32	F	A	0.0000
33	D	A	-1.0550
34	M	A	-0.4945
35	N	A	-2.0604
36	N	A	-2.4628
37	D	A	-2.6896
38	G	A	-1.6258
39	F	A	-1.0268
40	L	A	0.0000
41	D	A	-1.2835
42	Y	A	-0.8903
43	H	A	-1.2315
44	E	A	-0.6518
45	L	A	0.0000
46	K	A	-1.6903
47	V	A	0.0000
48	A	A	0.0000
49	M	A	0.0000
50	K	A	-1.2673
51	A	A	0.0000
52	L	A	0.0000
53	G	A	-0.8662
54	F	A	-1.0118
55	E	A	-2.2591
56	L	A	-1.9257
57	P	A	-2.6099
58	K	A	-3.6099
59	R	A	-3.6681
60	E	A	-3.6173
61	I	A	0.0000
62	L	A	-2.8360
63	D	A	-3.8289
64	L	A	-2.2820
65	I	A	0.0000
66	D	A	-3.8480
67	E	A	-2.9700
68	Y	A	-1.8129
69	D	A	-2.8366
70	S	A	-2.1772
71	E	A	-3.0518
72	G	A	-2.7893
73	R	A	-3.3117
74	H	A	-2.2721
75	L	A	-1.4704
76	M	A	0.0000
77	K	A	-1.2570
78	Y	A	-0.6817
79	D	A	-1.5960
80	D	A	-0.8042
81	F	A	0.0000
82	Y	A	-0.0275
83	I	A	0.2795
84	V	A	0.0000
85	M	A	0.0000
86	G	A	0.0000
87	E	A	-1.4378
88	K	A	-1.2671
89	I	A	0.0000
90	L	A	-1.2095
91	K	A	-2.4216
92	R	A	-2.3386
93	D	A	-2.8475
94	P	A	-1.8451
95	L	A	-1.4282
96	D	A	-2.8159
97	E	A	-1.9806
98	I	A	0.0000
99	K	A	-2.3391
100	R	A	-1.8877
101	A	A	0.0000
102	F	A	0.0000
103	Q	A	-2.7129
104	L	A	-1.6283
105	F	A	0.0000
106	D	A	0.0000
107	D	A	-3.4223
108	D	A	-3.5970
109	H	A	-2.9247
110	T	A	-1.9431
111	G	A	-2.1254
112	K	A	-2.5897
113	I	A	0.0000
114	S	A	0.0000
115	I	A	-1.3624
116	K	A	-2.3646
117	N	A	0.0000
118	L	A	0.0000
119	R	A	-2.9937
120	R	A	-2.6544
121	V	A	0.0000
122	A	A	0.0000
123	K	A	-3.1008
124	E	A	-2.8997
125	L	A	-1.9560
126	G	A	-1.8604
127	E	A	-1.9751
128	T	A	-0.8506
129	L	A	-1.2948
130	T	A	-1.7486
131	D	A	-2.6092
132	E	A	-3.0879
133	E	A	-2.8452
134	L	A	0.0000
135	R	A	-2.7941
136	A	A	-2.6271
137	M	A	0.0000
138	I	A	0.0000
139	E	A	-3.3267
140	E	A	-2.5107
141	F	A	-1.3400
142	D	A	-1.9383
143	L	A	-0.7416
144	D	A	-2.3245
145	G	A	-2.2457
146	D	A	-3.0062
147	G	A	-2.1236
148	E	A	-2.2010
149	I	A	0.0000
150	N	A	-2.4321
151	E	A	-2.5037
152	N	A	-1.9250
153	E	A	0.0000
154	F	A	0.0000
155	I	A	-0.9049
156	A	A	-0.7674
157	I	A	0.0000
158	C	A	0.0000
159	T	A	-0.9443
160	D	A	-1.9934
161	S	A	-1.2123
756	Y	B	-0.1236
757	R	B	-1.5845
758	K	B	-2.4691
759	D	B	-2.2626
760	F	B	-1.3124
761	I	B	0.0000
762	D	B	-2.5024
763	T	B	-2.1460
764	M	B	0.0000
765	T	B	0.0000
766	R	B	-3.3535
767	E	B	-3.3839
768	L	B	0.0000
769	Y	B	0.0000
770	D	B	-2.8565
771	A	B	-1.8378
772	F	B	0.0000
773	L	B	0.0000
774	H	B	-1.2526
775	E	B	-0.8778
776	R	B	-0.6099
777	L	B	0.0000
778	Y	B	0.2563
779	L	B	0.2249
780	I	B	-0.0844
781	Y	B	0.0000
782	M	B	0.0000
783	D	B	-0.3733
784	S	B	0.0000
785	R	B	0.0000
786	A	B	0.0000
787	E	B	-0.8305
788	L	B	-0.6363
789	K	B	-0.5946
790	R	B	-0.5955
791	N	B	-0.7969
792	S	B	-0.8237
793	T	B	0.0000
794	L	B	0.0000
795	K	B	0.0000
796	K	B	-2.0976
797	K	B	-1.8385
798	F	B	0.0000
799	F	B	0.0000
800	E	B	-2.9902
801	K	B	-2.4772
802	W	B	0.0000
803	Q	B	-1.8622
804	A	B	-1.2011
805	S	B	-1.4070
2	T	C	-1.4528
3	M	C	-1.9409
4	D	C	-2.8151
5	T	C	-1.9072
6	A	C	-1.2184
7	Q	C	-1.6954
8	L	C	0.0000
9	K	C	-2.1152
10	S	C	-1.5450
11	Q	C	-1.1623
12	I	C	0.0000
13	Q	C	-1.6823
14	Q	C	-1.6846
15	Y	C	-0.7915
16	L	C	0.0000
17	V	C	-0.1846
18	E	C	-1.7534
19	S	C	-0.9855
20	G	C	-0.6012
21	N	C	-0.4268
22	Y	C	-0.3449
23	E	C	-1.2352
24	L	C	-0.3890
25	I	C	0.0000
26	S	C	0.0000
27	N	C	-2.0888
28	E	C	-2.4186
29	L	C	0.0000
30	K	C	-1.4973
31	A	C	-1.3090
32	R	C	-1.6251
33	L	C	0.0000
34	L	C	0.0996
35	Q	C	-1.0499
36	E	C	-1.1612
37	G	C	-1.1573
38	W	C	0.0000
39	V	C	-1.4646
40	D	C	-2.7891
41	K	C	-3.0023
42	V	C	0.0000
43	K	C	-2.6628
44	D	C	-3.3012
45	L	C	-2.2976
46	T	C	0.0000
47	K	C	-2.1675
48	S	C	-1.9228
49	E	C	-2.0344
50	M	C	0.0000
51	N	C	-1.4885
52	I	C	-0.0944
53	N	C	-1.9392
54	E	C	-2.8449
55	S	C	-1.7520
56	T	C	-1.3621
57	N	C	-1.5166
58	F	C	-0.7421
59	T	C	-0.6105
60	Q	C	-1.2126
61	I	C	-0.6338
62	L	C	0.0000
63	S	C	-0.8632
64	T	C	-0.9001
65	V	C	0.0000
66	E	C	-1.3232
67	P	C	-1.5021
68	K	C	-2.3622
69	A	C	0.0000
70	L	C	-1.6178
71	E	C	-2.5753
72	M	C	-1.5992
73	V	C	0.0000
74	S	C	-1.8174
75	D	C	-2.8586
76	S	C	-1.9222
77	T	C	0.0000
78	R	C	-2.5285
79	E	C	-3.0995
80	T	C	-2.2690
81	V	C	0.0000
82	L	C	-2.4841
83	K	C	-3.2558
84	Q	C	-2.5472
85	I	C	0.0000
86	R	C	-3.7468
87	E	C	-3.6541
88	F	C	0.0000
89	L	C	0.0000
90	E	C	-3.0723
91	E	C	-2.6598
92	I	C	-1.0155
93	V	C	0.0000
94	D	C	-1.7505
95	T	C	-0.9733
325	D	X	-2.9536
326	K	X	-3.0215
327	E	X	-2.2161
328	S	X	-1.2198
329	I	X	0.0000
330	V	X	1.1596