Project name: 82da2fb572047a7 [mutate: YX21L, MX157R, MX163R]

Chain sequence(s)	X: PFRDCADVYQAGFNKSGIYTIYINNMPEPKKVFCNMDVNGGGWTVIQHREDGSLDFQRGWKEYKMGFGNPSGEYWLGNEFIFAITSQRQYMLRIELMDWEGNRAYSQYDRFHIGNEKQNYRLYLKGHTGTAGKQSSLILHGADFSTKDADNDNCMCKCALMLTGGWWFDACGPSNLNGMFYTAGQNHGKLNGIKWHYFKGPSYSLRSTTMMIRPLDF
Distance of aggregation	5 Å
Dynamic mode	No
Mutated residues	YX21L, MX157R, MX163R
Energy difference between WT (input) and mutated protein (by FoldX)	1.93057 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

• Minimal score value: -2.1088
• Maximal score value: 1.049
• Average score: -0.3249
• Total score value: -70.5097

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
3	P	X	-0.1269
4	F	X	0.5135
5	R	X	-0.8381
6	D	X	0.0000
7	C	X	0.0000
8	A	X	0.0000
9	D	X	-0.3124
10	V	X	0.0000
11	Y	X	0.0514
12	Q	X	-1.1383
13	A	X	-0.2496
14	G	X	-0.3222
15	F	X	0.4033
16	N	X	-1.4545
17	K	X	-1.9486
18	S	X	-0.4387
19	G	X	0.0263
20	I	X	0.7376
21	L	X	0.3444	mutated: YX21L
22	T	X	-0.2183
23	I	X	0.0000
24	Y	X	0.8828
25	I	X	0.0000
26	N	X	-1.0100
27	N	X	-1.3773
28	M	X	-0.0516
29	P	X	-0.4557
30	E	X	-1.4106
31	P	X	-0.4491
32	K	X	-0.6179
33	K	X	-1.7503
34	V	X	0.0000
35	F	X	0.6183
36	C	X	0.0000
37	N	X	-0.2019
38	M	X	0.0000
39	D	X	-1.7040
40	V	X	-0.0873
41	N	X	-1.2632
42	G	X	-0.6463
43	G	X	0.0000
44	G	X	0.0000
45	W	X	0.0000
46	T	X	0.0000
47	V	X	0.0000
48	I	X	0.0000
49	Q	X	0.0000
50	H	X	-0.1841
51	R	X	0.0000
52	E	X	-1.8313
53	D	X	-2.1088
54	G	X	-0.5864
55	S	X	-0.2138
56	L	X	-0.0124
57	D	X	-0.9423
58	F	X	0.0000
59	Q	X	-0.9399
60	R	X	-0.6092
61	G	X	-0.1184
62	W	X	-0.1809
63	K	X	-1.8416
64	E	X	-1.0959
65	Y	X	0.0000
66	K	X	-0.3078
67	M	X	0.3494
68	G	X	0.0113
69	F	X	0.0915
70	G	X	-0.6743
71	N	X	-1.3684
72	P	X	-0.3135
73	S	X	-0.2428
74	G	X	-0.1696
75	E	X	0.0000
76	Y	X	0.0000
77	W	X	0.0000
78	L	X	0.0000
79	G	X	0.0000
80	N	X	0.0000
81	E	X	-0.2804
82	F	X	0.0000
83	I	X	0.0000
84	F	X	0.4109
85	A	X	0.0000
86	I	X	0.0000
87	T	X	0.0000
88	S	X	-0.2507
89	Q	X	-0.3536
90	R	X	-0.8392
91	Q	X	-1.3068
92	Y	X	0.0000
93	M	X	-0.2251
94	L	X	0.0000
95	R	X	0.0000
96	I	X	0.0000
97	E	X	-0.3823
98	L	X	0.0000
99	M	X	0.0283
100	D	X	0.0000
101	W	X	-0.1741
102	E	X	-1.8289
103	G	X	-0.7314
104	N	X	-1.4255
105	R	X	-2.0035
106	A	X	0.0000
107	Y	X	0.3289
108	S	X	0.0000
109	Q	X	-0.1621
110	Y	X	0.0000
111	D	X	-1.8295
112	R	X	-1.6842
113	F	X	0.0000
114	H	X	-0.7094
115	I	X	0.0000
116	G	X	-0.0967
117	N	X	-0.3995
118	E	X	-1.0650
119	K	X	-1.9739
120	Q	X	-1.1944
121	N	X	-0.5562
122	Y	X	0.0000
123	R	X	-0.6628
124	L	X	0.0000
125	Y	X	0.8359
126	L	X	0.0000
127	K	X	-1.7249
128	G	X	-0.6571
129	H	X	-0.2138
130	T	X	-0.1352
131	G	X	-0.2048
132	T	X	-0.1041
133	A	X	0.0000
134	G	X	-0.3304
135	K	X	-1.9006
136	Q	X	-1.2950
137	S	X	0.0000
138	S	X	0.0000
139	L	X	0.0000
140	I	X	0.4395
141	L	X	0.3032
142	H	X	-0.9237
143	G	X	-0.2587
144	A	X	0.0000
145	D	X	-0.3235
146	F	X	0.0000
147	S	X	0.0000
148	T	X	0.0000
149	K	X	-1.2335
150	D	X	-1.9541
151	A	X	-0.6468
152	D	X	-1.8330
153	N	X	-0.6165
154	D	X	-0.4991
155	N	X	-1.2917
156	C	X	-0.4565
157	R	X	-1.7352	mutated: MX157R
158	C	X	-0.1085
159	K	X	-1.3561
160	C	X	0.0000
161	A	X	0.0000
162	L	X	0.7046
163	R	X	-1.6577	mutated: MX163R
164	L	X	0.0000
165	T	X	-0.0086
166	G	X	0.0000
167	G	X	0.0000
168	W	X	0.0000
169	W	X	0.0000
170	F	X	0.0000
171	D	X	-0.3407
172	A	X	0.0334
173	C	X	0.0402
174	G	X	-0.1312
175	P	X	-0.0629
176	S	X	0.0000
177	N	X	0.0000
178	L	X	0.0000
179	N	X	0.0000
180	G	X	0.0000
181	M	X	0.4136
182	F	X	0.3650
183	Y	X	0.2221
184	T	X	-0.0018
185	A	X	-0.0353
186	G	X	-0.6409
187	Q	X	-1.1191
188	N	X	0.0000
189	H	X	-1.0747
190	G	X	-0.7176
191	K	X	-0.2631
192	L	X	1.0490
193	N	X	-0.0589
194	G	X	0.0000
195	I	X	0.0000
196	K	X	0.0000
197	W	X	0.0000
198	H	X	-0.0810
199	Y	X	0.8277
200	F	X	0.4542
201	K	X	-0.4327
202	G	X	-0.2193
203	P	X	-0.2343
204	S	X	-0.1774
205	Y	X	0.0000
206	S	X	0.0000
207	L	X	0.0000
208	R	X	-0.6161
209	S	X	-0.3384
210	T	X	0.0000
211	T	X	-0.0751
212	M	X	0.0000
213	M	X	0.0000
214	I	X	0.0000
215	R	X	0.0000
216	P	X	0.0000
217	L	X	0.1620
218	D	X	-1.5591
219	F	X	0.4401