Project name: TS14-5 [mutate: QH27F, LH29P, DH108A]

Chain sequence(s)	H: QVQLQESGPGLVKPSETLSLTCTVSGQSLTNFGVHWIRQPPGKGLEWIGVIWAGGSTNYNPSLKSRVTISVDTSKNQFSLKLSSVTAADTAVYYCARDGYNGYYYTMDYWGQGTSVTVSS; L: DIQMTQSPSSLSASVGDRVTITCSASSTVSFMNWYQQKPGKAPKLLIYSTSILASGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQRSSLPLITFGAGTKLEIK
Distance of aggregation	5 Å
Dynamic mode	No
Mutated residues	QH27F, LH29P, DH108A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.974484 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: -2.0082
• Maximal score value: 1.571
• Average score: -0.173
• Total score value: -39.2597

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	-1.2506
2	V	H	0.0000
3	Q	H	-1.2237
4	L	H	0.0000
5	Q	H	-0.7899
6	E	H	0.0000
7	S	H	-0.2795
8	G	H	-0.5203
9	P	H	-0.3701
10	G	H	-0.1140
11	L	H	1.4826
12	V	H	0.0000
13	K	H	-1.3562
14	P	H	-0.3845
15	S	H	-0.5223
16	E	H	-1.4532
17	T	H	-0.3306
18	L	H	0.0000
19	S	H	-0.3006
20	L	H	0.0000
21	T	H	-0.0232
22	C	H	0.0000
23	T	H	-0.0562
24	V	H	0.0000
25	S	H	-0.4210
26	G	H	-0.2793
27	F	H	1.5710	mutated: QH27F
28	S	H	0.2376
29	P	H	0.0000	mutated: LH29P
30	T	H	-0.1705
31	N	H	-0.5915
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	-0.1496
40	P	H	-0.1045
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	0.2001
53	A	H	-0.0859
54	G	H	-0.5328
55	G	H	-0.5234
56	S	H	-0.2910
57	T	H	-0.1400
58	N	H	-0.3684
59	Y	H	0.1920
60	N	H	-0.1649
61	P	H	-0.3083
62	S	H	-0.2561
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	-0.0254
69	I	H	0.0000
70	S	H	-0.0677
71	V	H	0.3409
72	D	H	-0.4588
73	T	H	-0.2525
74	S	H	-0.5383
75	K	H	-1.8094
76	N	H	-0.7465
77	Q	H	-0.3095
78	F	H	0.0000
79	S	H	-0.0583
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	-0.0413
87	A	H	0.0595
88	A	H	0.0691
89	D	H	0.0000
90	T	H	-0.0214
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	-0.2144
98	D	H	0.0000
99	G	H	0.0000
100	Y	H	0.9442
101	N	H	-0.9607
102	G	H	-0.5176
103	Y	H	0.9303
104	Y	H	0.7609
105	Y	H	0.5700
106	T	H	0.0000
107	M	H	0.0000
108	A	H	0.1184	mutated: DH108A
109	Y	H	0.5991
110	W	H	0.2417
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	-0.0375
118	V	H	0.0000
119	S	H	-0.1230
120	S	H	-0.2284
121	D	L	-1.7423
122	I	L	-0.2913
123	Q	L	-1.1511
124	M	L	0.0000
125	T	L	-0.0709
126	Q	L	0.0000
127	S	L	-0.1512
128	P	L	-0.1684
129	S	L	-0.2689
130	S	L	-0.2827
131	L	L	0.4392
132	S	L	-0.0901
133	A	L	0.0000
134	S	L	-0.0186
135	V	L	1.3700
136	G	L	-0.2697
137	D	L	-1.2542
138	R	L	-2.0082
139	V	L	0.0000
140	T	L	-0.0606
141	I	L	0.0000
142	T	L	-0.0279
143	C	L	0.0000
144	S	L	-0.2878
145	A	L	-0.0503
146	S	L	-0.2410
147	S	L	-0.2138
148	T	L	-0.1184
149	V	L	0.0000
150	S	L	-0.0105
151	F	L	0.4626
152	M	L	0.0000
153	N	L	0.0000
154	W	L	0.0000
155	Y	L	0.0000
156	Q	L	0.0000
157	Q	L	0.0000
158	K	L	-0.5704
159	P	L	-0.4373
160	G	L	-0.8248
161	K	L	-1.7834
162	A	L	-0.3087
163	P	L	0.0000
164	K	L	-1.5722
165	L	L	0.0000
166	L	L	0.0000
167	I	L	0.0000
168	Y	L	0.1985
169	S	L	0.0123
170	T	L	-0.0537
171	S	L	-0.0075
172	I	L	1.1963
173	L	L	0.6312
174	A	L	0.0488
175	S	L	-0.2992
176	G	L	-0.5066
177	V	L	0.0000
178	P	L	-0.1510
179	S	L	-0.2911
180	R	L	-0.3591
181	F	L	0.0000
182	S	L	-0.1720
183	G	L	-0.1575
184	S	L	-0.2664
185	G	L	-0.3044
186	S	L	-0.2773
187	G	L	-0.1724
188	T	L	-0.3729
189	D	L	-1.8024
190	F	L	0.0000
191	T	L	-0.0271
192	L	L	0.0000
193	T	L	-0.0261
194	I	L	0.0000
195	S	L	-0.3458
196	S	L	-0.1410
197	L	L	0.0000
198	Q	L	-0.3951
199	P	L	-0.6512
200	E	L	-1.8665
201	D	L	0.0000
202	F	L	0.9557
203	A	L	0.0000
204	T	L	-0.1704
205	Y	L	0.0000
206	Y	L	0.0000
207	C	L	0.0000
208	Q	L	0.0000
209	Q	L	0.0000
210	R	L	0.0000
211	S	L	0.0000
212	S	L	0.0707
213	L	L	1.4869
214	P	L	0.2150
215	L	L	0.2889
216	I	L	0.0000
217	T	L	0.0301
218	F	L	0.2051
219	G	L	0.0000
220	A	L	0.0585
221	G	L	0.0000
222	T	L	0.0000
223	K	L	-1.0574
224	L	L	0.0000
225	E	L	-0.8309
226	I	L	0.0973
227	K	L	-1.6036