Project name: 20190218h8C12woDyn [mutate: SH149I]

Chain sequence(s)	H: QVQLQESGPGLVKPSETLSLTCTVSGFSLNSFGWSWIRQPPGKGLEWIGYIWAGKNTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARAGYGNSLDYWGQGTTLTVSSDIVMTQSPDSLAVSLGERATINCKSSQSLLNSGNQRNYLTWYQQKPGQPPKLLIYWASTRESGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQNNYYFPLTFGTGTKLEIK
Distance of aggregation	5 Å
Dynamic mode	No
Mutated residues	SH149I
Energy difference between WT (input) and mutated protein (by FoldX)	-0.883359 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: -2.2445
• Maximal score value: 1.8098
• Average score: -0.2482
• Total score value: -57.086

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	-1.1983
2	V	H	0.0000
3	Q	H	-1.1983
4	L	H	0.0000
5	Q	H	-0.7537
6	E	H	0.0000
7	S	H	-0.2494
8	G	H	-0.5232
9	P	H	-0.3705
10	G	H	-0.1601
11	L	H	1.2577
12	V	H	0.0000
13	K	H	-1.6675
14	P	H	-0.4934
15	S	H	-0.4175
16	E	H	-0.8245
17	T	H	-0.2123
18	L	H	0.0000
19	S	H	-0.3001
20	L	H	0.0000
21	T	H	-0.0230
22	C	H	0.0000
23	T	H	-0.0474
24	V	H	0.0000
25	S	H	-0.2830
26	G	H	-0.4508
27	F	H	0.1799
28	S	H	-0.0289
29	L	H	0.0000
30	N	H	-1.0605
31	S	H	-0.2295
32	F	H	0.7313
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	-0.1307
40	P	H	-0.1010
41	P	H	-0.3468
42	G	H	-0.8280
43	K	H	-1.7985
44	G	H	-0.3895
45	L	H	0.0000
46	E	H	-0.5577
47	W	H	0.0000
48	I	H	0.0000
49	G	H	0.0000
50	Y	H	0.1570
51	I	H	0.0000
52	W	H	0.5093
53	A	H	-0.0586
54	G	H	-0.7674
55	K	H	-2.0205
56	N	H	-1.5913
57	T	H	-0.3575
58	N	H	-0.5086
59	Y	H	0.1544
60	N	H	-0.1073
61	P	H	-0.2549
62	S	H	-0.2482
63	L	H	0.0000
64	K	H	-1.7391
65	S	H	-0.5936
66	R	H	-0.4175
67	V	H	0.0000
68	T	H	-0.0263
69	I	H	0.0000
70	S	H	-0.1101
71	V	H	0.0979
72	D	H	-0.5079
73	T	H	-0.2190
74	S	H	-0.5345
75	K	H	-1.7854
76	N	H	-0.6099
77	Q	H	-0.2670
78	F	H	0.0000
79	S	H	-0.0591
80	L	H	0.0000
81	K	H	-0.9470
82	L	H	0.0000
83	S	H	-0.1451
84	S	H	-0.2586
85	V	H	0.0000
86	T	H	-0.0421
87	A	H	0.0593
88	A	H	0.0691
89	D	H	0.0000
90	T	H	-0.0183
91	A	H	0.0000
92	V	H	0.4243
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	A	H	0.0000
99	G	H	0.1675
100	Y	H	1.2184
101	G	H	-0.2291
102	N	H	0.0000
103	S	H	-0.0249
104	L	H	0.0000
105	D	H	-1.4296
106	Y	H	0.1112
107	W	H	0.2293
108	G	H	0.0000
109	Q	H	-1.1983
110	G	H	0.0000
111	T	H	-0.0237
112	T	H	-0.0118
113	L	H	0.0000
114	T	H	-0.0270
115	V	H	0.0000
116	S	H	-0.1472
117	S	H	-0.2329
118	D	H	-1.7522
119	I	H	0.1977
120	V	H	1.8098
121	M	H	0.0000
122	T	H	-0.0606
123	Q	H	0.0000
124	S	H	-0.2371
125	P	H	-0.4741
126	D	H	-1.8447
127	S	H	-0.6057
128	L	H	0.2906
129	A	H	-0.2848
130	V	H	0.0000
131	S	H	-0.0010
132	L	H	1.3619
133	G	H	-0.5356
134	E	H	-2.2445
135	R	H	-2.1936
136	A	H	0.0000
137	T	H	-0.0444
138	I	H	0.0000
139	N	H	-0.9045
140	C	H	0.0000
141	K	H	-1.3892
142	S	H	0.0000
143	S	H	-0.3900
144	Q	H	-1.2535
145	S	H	-0.3621
146	L	H	0.0000
147	L	H	0.2187
148	N	H	0.2238
149	I	H	1.7518	mutated: SH149I
150	G	H	-0.3107
151	N	H	-1.4291
152	Q	H	-1.3400
153	R	H	-1.1640
154	N	H	-0.2218
155	Y	H	0.1813
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	-0.7732
163	P	H	-0.4722
164	G	H	-0.7263
165	Q	H	-1.2589
166	P	H	-0.2772
167	P	H	0.0000
168	K	H	-1.4783
169	L	H	-0.1142
170	L	H	0.0000
171	I	H	0.0000
172	Y	H	0.2426
173	W	H	0.4245
174	A	H	0.0000
175	S	H	-0.2188
176	T	H	-0.2009
177	R	H	-0.8519
178	E	H	-0.7330
179	S	H	-0.4000
180	G	H	-0.5053
181	V	H	0.0000
182	P	H	-0.4223
183	D	H	-1.8611
184	R	H	-0.6350
185	F	H	0.0000
186	S	H	-0.1004
187	G	H	-0.1328
188	S	H	-0.2633
189	G	H	-0.3037
190	S	H	-0.2690
191	G	H	-0.1379
192	T	H	-0.3402
193	D	H	-1.7534
194	F	H	0.0000
195	T	H	-0.1334
196	L	H	0.0000
197	T	H	-0.0242
198	I	H	0.0000
199	S	H	-0.3850
200	S	H	-0.5569
201	L	H	0.0000
202	Q	H	-0.4809
203	A	H	-0.3647
204	E	H	-1.8092
205	D	H	0.0000
206	V	H	0.4844
207	A	H	0.0000
208	V	H	0.0544
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	-0.1023
215	Y	H	0.4295
216	Y	H	1.4961
217	F	H	0.9964
218	P	H	0.1610
219	L	H	0.0000
220	T	H	0.0227
221	F	H	0.1967
222	G	H	0.0000
223	T	H	-0.0777
224	G	H	0.0000
225	T	H	0.0000
226	K	H	-1.0576
227	L	H	0.0000
228	E	H	-1.4673
229	I	H	0.4134
230	K	H	-1.5148