Project name: 20190218h8C12swissnodyn [mutate: AH98L, SH149I, EH178A]

Chain sequence(s)	H: QVQLQESGPGLVKPSETLSLTCTVSGFSLNSFGWSWIRQPPGKGLEWIGYIWAGKNTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARAGYGNSLDYWGQGTTLTVSSDIVMTQSPDSLAVSLGERATINCKSSQSLLNSGNQRNYLTWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQNNYYFPLTFGTGTKLEIK
Distance of aggregation	5 Å
Dynamic mode	No
Mutated residues	AH98L, SH149I, EH178A
Energy difference between WT (input) and mutated protein (by FoldX)	-3.48568 kcal/mol 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: -2.2453
• Maximal score value: 1.7728
• Average score: -0.2396
• Total score value: -55.1002

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	Q	H	-1.1668
2	V	H	-0.3333
3	Q	H	-1.1670
4	L	H	0.0000
5	Q	H	-0.7420
6	E	H	0.0000
7	S	H	-0.2438
8	G	H	-0.5277
9	P	H	-0.3195
10	G	H	-0.0496
11	L	H	1.4918
12	V	H	0.0000
13	K	H	-1.7164
14	P	H	-0.4369
15	S	H	-0.5924
16	E	H	-1.8626
17	T	H	-0.3742
18	L	H	0.0000
19	S	H	-0.2337
20	L	H	0.0000
21	T	H	-0.0404
22	C	H	0.0000
23	T	H	-0.0580
24	V	H	0.0000
25	S	H	-0.1732
26	G	H	-0.2903
27	F	H	0.8017
28	S	H	0.0905
29	L	H	0.0000
30	N	H	-1.3114
31	S	H	-0.3640
32	F	H	0.3892
33	G	H	0.0000
34	W	H	0.0000
35	S	H	0.0000
36	W	H	0.0000
37	I	H	0.0000
38	R	H	0.0000
39	Q	H	-0.1522
40	P	H	-0.1072
41	P	H	-0.3472
42	G	H	-0.8279
43	K	H	-1.7970
44	G	H	-0.3679
45	L	H	0.0000
46	E	H	-0.4845
47	W	H	0.0000
48	I	H	0.0000
49	G	H	0.0000
50	Y	H	0.1429
51	I	H	0.0000
52	W	H	0.7445
53	A	H	0.0616
54	G	H	-0.7787
55	K	H	-2.0218
56	N	H	-1.5938
57	T	H	-0.3691
58	N	H	-0.5094
59	Y	H	0.1536
60	N	H	-0.1203
61	P	H	-0.3044
62	S	H	-0.2249
63	L	H	0.0000
64	K	H	-1.7457
65	S	H	-0.5954
66	R	H	-0.4273
67	V	H	0.0000
68	T	H	-0.1926
69	I	H	0.0000
70	S	H	-0.1251
71	V	H	0.0000
72	D	H	-0.7550
73	T	H	-0.2479
74	S	H	-0.5368
75	K	H	-1.7892
76	N	H	-0.6426
77	Q	H	-0.3627
78	F	H	0.0000
79	S	H	-0.0582
80	L	H	0.0000
81	K	H	-1.3588
82	L	H	0.0000
83	S	H	-0.1825
84	S	H	-0.2369
85	V	H	0.0000
86	T	H	-0.0428
87	A	H	0.0593
88	A	H	0.0691
89	D	H	0.0000
90	T	H	-0.0164
91	A	H	0.0000
92	V	H	0.3673
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	0.0000
98	L	H	0.0000	mutated: AH98L
99	G	H	0.0784
100	Y	H	1.2708
101	G	H	0.1186
102	N	H	-0.2084
103	S	H	0.0000
104	L	H	0.0000
105	D	H	-0.8685
106	Y	H	0.2068
107	W	H	0.1889
108	G	H	0.0000
109	Q	H	-1.1983
110	G	H	0.0000
111	T	H	-0.0215
112	T	H	-0.0194
113	L	H	0.0000
114	T	H	-0.0251
115	V	H	0.0000
116	S	H	-0.1614
117	S	H	-0.2355
118	D	H	-1.7894
119	I	H	0.0000
120	V	H	1.7728
121	M	H	0.0000
122	T	H	-0.0919
123	Q	H	-0.1806
124	S	H	-0.2344
125	P	H	-0.4712
126	D	H	-1.8449
127	S	H	-0.6065
128	L	H	0.2829
129	A	H	-0.2648
130	V	H	0.0000
131	S	H	-0.1310
132	L	H	1.0303
133	G	H	-0.5510
134	E	H	-2.2453
135	R	H	-2.2096
136	A	H	0.0000
137	T	H	-0.0488
138	I	H	0.0000
139	N	H	-0.2033
140	C	H	0.0000
141	K	H	-1.6103
142	S	H	0.0000
143	S	H	-0.4337
144	Q	H	-1.2614
145	S	H	-0.3586
146	L	H	0.0000
147	L	H	0.1649
148	N	H	-0.0981
149	I	H	1.7054	mutated: SH149I
150	G	H	-0.3300
151	N	H	-1.5782
152	Q	H	-1.3208
153	R	H	-0.7941
154	N	H	-0.1701
155	Y	H	0.2123
156	L	H	0.0000
157	T	H	0.0000
158	W	H	0.0000
159	Y	H	0.0000
160	Q	H	0.0000
161	Q	H	0.0000
162	K	H	-0.5514
163	P	H	-0.4328
164	G	H	-0.6287
165	Q	H	-0.7183
166	P	H	-0.1538
167	P	H	0.0000
168	K	H	-1.0149
169	L	H	0.0000
170	L	H	0.0000
171	I	H	0.0000
172	Y	H	0.1814
173	W	H	0.2707
174	A	H	0.0000
175	S	H	-0.2261
176	T	H	-0.1867
177	R	H	-0.6373
178	A	H	-0.1478	mutated: EH178A
179	S	H	-0.2975
180	G	H	-0.5056
181	V	H	0.0000
182	P	H	-0.4205
183	D	H	-1.8628
184	R	H	-0.6357
185	F	H	0.0000
186	S	H	-0.1496
187	G	H	-0.1554
188	S	H	-0.2756
189	G	H	-0.3459
190	S	H	-0.2258
191	G	H	-0.1291
192	T	H	-0.2580
193	D	H	-1.3126
194	F	H	0.0000
195	T	H	-0.0420
196	L	H	0.0000
197	T	H	-0.0193
198	I	H	0.0000
199	S	H	-0.4687
200	S	H	-0.3553
201	L	H	0.0000
202	Q	H	-0.4511
203	A	H	-0.3613
204	E	H	-1.8091
205	D	H	0.0000
206	V	H	0.4671
207	A	H	0.0000
208	V	H	0.0000
209	Y	H	0.0000
210	Y	H	0.0000
211	C	H	0.0000
212	Q	H	0.0000
213	N	H	0.0000
214	N	H	0.0000
215	Y	H	0.5372
216	Y	H	1.5702
217	F	H	1.3649
218	P	H	0.2891
219	L	H	0.0000
220	T	H	-0.0113
221	F	H	0.0000
222	G	H	0.0000
223	T	H	-0.0816
224	G	H	-0.0709
225	T	H	0.0000
226	K	H	-1.1786
227	L	H	0.0000
228	E	H	-1.5463
229	I	H	0.8153
230	K	H	-1.4408