Project name: TS14-8 [mutate: FH27Q, PH29L, AH108D]

Chain sequence(s)	H: QVQLQESGPGLVKPSETLSLTCTVSGFSPTNFGVHWIRQPPGKGLEWIGVIWAGGSTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARDGYNGYYYTMAYWGQGTSVTVSSDIQMTQSPSSLSASVGDRVTITCSASSTVSFMNWYQQKPGKAPKLLIYSTSILASGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQRSSLPLITFGAGTKLEIK
Distance of aggregation	5 Å
Dynamic mode	No
Mutated residues	FH27Q, PH29L, AH108D
Energy difference between WT (input) and mutated protein (by FoldX)	-0.100756 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: -2.0078
• Maximal score value: 1.484
• Average score: -0.2072
• Total score value: -46.8249

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	-1.2477
2	V	H	0.0000
3	Q	H	-0.9357
4	L	H	0.0000
5	Q	H	-0.7736
6	E	H	0.0000
7	S	H	-0.2816
8	G	H	-0.5207
9	P	H	-0.3701
10	G	H	-0.1140
11	L	H	1.4826
12	V	H	0.0000
13	K	H	-1.4010
14	P	H	-0.4046
15	S	H	-0.5571
16	E	H	-1.6317
17	T	H	-0.3634
18	L	H	0.0000
19	S	H	-0.3006
20	L	H	0.0000
21	T	H	-0.0234
22	C	H	0.0000
23	T	H	-0.0493
24	V	H	0.0000
25	S	H	-0.3904
26	G	H	-0.7787
27	Q	H	-1.2741	mutated: FH27Q
28	S	H	-0.2801
29	L	H	0.0000	mutated: PH29L
30	T	H	-0.1900
31	N	H	-0.7009
32	F	H	0.0000
33	G	H	0.0000
34	V	H	0.0000
35	H	H	0.0000
36	W	H	0.0000
37	I	H	0.0000
38	R	H	0.0000
39	Q	H	-0.1497
40	P	H	-0.1049
41	P	H	-0.3469
42	G	H	-0.8280
43	K	H	-1.8080
44	G	H	-0.4331
45	L	H	0.0000
46	E	H	-0.5665
47	W	H	0.0000
48	I	H	0.0000
49	G	H	0.0000
50	V	H	0.0000
51	I	H	0.0000
52	W	H	0.1969
53	A	H	-0.0992
54	G	H	-0.5385
55	G	H	-0.5535
56	S	H	-0.2974
57	T	H	-0.1575
58	N	H	-0.4386
59	Y	H	0.1742
60	N	H	-0.1718
61	P	H	-0.3267
62	S	H	-0.2594
63	L	H	0.0000
64	K	H	-1.7392
65	S	H	-0.5959
66	R	H	-0.4292
67	V	H	0.0000
68	T	H	-0.0259
69	I	H	0.0000
70	S	H	-0.0754
71	V	H	0.0678
72	D	H	-1.7244
73	T	H	-0.5330
75	K	H	-1.9067
76	N	H	-1.4809
77	Q	H	-0.3872
78	F	H	0.0000
79	S	H	-0.0586
80	L	H	0.0000
81	K	H	-0.9190
82	L	H	0.0000
83	S	H	-0.1459
84	S	H	-0.2585
85	V	H	0.0000
86	T	H	-0.0416
87	A	H	0.0594
88	A	H	0.0691
89	D	H	0.0000
90	T	H	-0.0208
91	A	H	0.0000
92	V	H	0.4751
93	Y	H	0.0000
94	Y	H	0.0000
95	C	H	0.0000
96	A	H	0.0000
97	R	H	-0.1922
98	D	H	0.0000
99	G	H	0.0000
100	Y	H	0.6639
101	N	H	-0.8738
102	G	H	-0.5401
103	Y	H	0.7042
104	Y	H	0.8536
105	Y	H	0.5426
106	T	H	0.0000
107	M	H	0.0000
108	D	H	-0.2642	mutated: AH108D
109	Y	H	0.4202
110	W	H	0.2200
111	G	H	0.0000
112	Q	H	-1.1983
113	G	H	0.0000
114	T	H	-0.0508
115	S	H	-0.1439
116	V	H	0.0000
117	T	H	-0.0345
118	V	H	0.0000
119	S	H	-0.1450
120	S	H	-0.2325
121	D	H	-1.7440
122	I	H	-0.3005
123	Q	H	-1.1528
124	M	H	0.0000
125	T	H	-0.0709
126	Q	H	0.0000
127	S	H	-0.1439
128	P	H	-0.1649
129	S	H	-0.2686
130	S	H	-0.3182
131	L	H	0.4449
132	S	H	-0.0943
133	A	H	0.0000
134	S	H	-0.0242
135	V	H	1.3446
136	G	H	-0.2524
137	D	H	-1.2497
138	R	H	-2.0078
139	V	H	0.0000
140	T	H	-0.0727
141	I	H	0.0000
142	T	H	-0.0342
143	C	H	0.0000
144	S	H	-0.2892
145	A	H	-0.0506
146	S	H	-0.2502
147	S	H	-0.2643
148	T	H	-0.1277
149	V	H	0.0000
150	S	H	-0.0384
151	F	H	0.3945
152	M	H	0.0000
153	N	H	0.0000
154	W	H	0.0000
155	Y	H	0.0000
156	Q	H	0.0000
157	Q	H	0.0000
158	K	H	-0.4631
159	P	H	-0.4177
160	G	H	-0.8248
161	K	H	-1.7834
162	A	H	-0.3087
163	P	H	0.0000
164	K	H	-1.3588
165	L	H	0.0000
166	L	H	0.0000
167	I	H	0.0000
168	Y	H	0.2060
169	S	H	0.0077
170	T	H	-0.0545
171	S	H	-0.0019
172	I	H	1.2186
173	L	H	0.6226
174	A	H	0.0446
175	S	H	-0.2995
176	G	H	-0.4695
177	V	H	0.0959
178	P	H	-0.1137
179	S	H	-0.2925
180	R	H	-0.3670
181	F	H	0.0000
182	S	H	-0.1711
183	G	H	-0.1573
184	S	H	-0.2664
185	G	H	-0.3044
186	S	H	-0.2774
187	G	H	-0.1730
188	T	H	-0.3731
189	D	H	-1.8025
190	F	H	0.0000
191	T	H	-0.0265
192	L	H	0.0000
193	T	H	-0.0232
194	I	H	0.0000
195	S	H	-0.3449
196	S	H	-0.1467
197	L	H	0.0000
198	Q	H	-0.3843
199	P	H	-0.6493
200	E	H	-1.8665
201	D	H	0.0000
202	F	H	0.8047
203	A	H	0.0000
204	T	H	0.0000
205	Y	H	0.0000
206	Y	H	0.0000
207	C	H	0.0000
208	Q	H	0.0000
209	Q	H	0.0000
210	R	H	0.0000
211	S	H	0.0000
212	S	H	0.0707
213	L	H	1.4840
214	P	H	0.1729
215	L	H	0.1440
216	I	H	0.0000
217	T	H	0.0285
218	F	H	0.2048
219	G	H	0.0000
220	A	H	0.0585
221	G	H	0.0000
222	T	H	0.0000
223	K	H	-1.3630
224	L	H	0.0000
225	E	H	-0.8910
226	I	H	0.0833
227	K	H	-1.6042