Project name: HC1Sap3 [mutate: QL27E, SL30D]

Status: done

submitted: 2018-06-25 21:10:38, status changed: 2018-06-25 21:26:39
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Chain sequence(s) H: VRLSQSGGQMKKPGESMRLSCRASGYEFLNCPINWIRLAPGRRPEWMGWLKPRWGAVNYARKFQGRVTMTRDVYSDTAFLELRSLTSDDDTAVYFCTRGKYCTARDYYNWDFEHWGRGAPVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK
L: VLTQSPATLSLSPGETAIISCRTSQYGSLAWYQQRPGQAPRLVIYSGSTRAAGIPDRFSGSRWGADYNLSISNLESGDFGVYYCQQYEFFGQGTKVQVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues QL27E, SL30D
Energy difference between WT (input) and mutated protein (by FoldX) -0.00861064 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.

Show buried residues

Minimal score value
-3.6238
Maximal score value
1.4801
Average score
-0.7225
Total score value
-309.2219

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
residue index residue name chain Aggrescan3D score
mutation
2 V H 0.1312
3 R H -1.6986
4 L H 0.0000
5 S H -1.5032
6 Q H -1.4437
7 S H -1.2091
8 G H -1.1003
9 G H -0.9644
10 Q H -0.7956
11 M H -0.2314
12 K H -1.0660
13 K H -1.5717
14 P H -1.5859
15 G H -1.5316
16 E H -1.7893
17 S H -1.7384
18 M H 0.0000
19 R H -2.1953
20 L H 0.0000
21 S H -0.9789
22 C H 0.0000
23 R H -2.1955
24 A H 0.0000
25 S H -1.2145
26 G H -0.6691
27 Y H -0.7689
28 E H -1.5767
29 F H 0.0000
30 L H -0.4908
31 N H -1.0656
32 C H 0.0000
33 P H 0.0000
34 I H 0.0000
35 N H 0.0000
36 W H 0.0000
37 I H 0.0000
38 R H 0.0000
39 L H 0.0000
40 A H -1.3226
41 P H -1.1845
42 G H -2.0396
43 R H -3.0714
44 R H -2.6578
45 P H 0.0000
46 E H -0.9072
47 W H 0.0000
48 M H 0.0000
49 G H 0.0000
50 W H -0.1109
51 L H 0.0000
52 K H -0.6531
52A P H 0.0000
53 R H -1.2437
54 W H 0.3217
55 G H -0.0986
56 A H -0.1380
57 V H 0.0723
58 N H -1.1626
59 Y H -1.3483
60 A H -1.9022
61 R H -3.1764
62 K H -3.0336
63 F H 0.0000
64 Q H -2.6761
65 G H -1.7897
66 R H -1.5753
67 V H 0.0000
68 T H -0.7066
69 M H 0.0000
70 T H -0.1641
71 R H -0.8288
72 D H -0.7740
73 V H 0.4217
74 Y H 1.1072
75 S H -0.1029
76 D H -0.9369
77 T H -0.9833
78 A H 0.0000
79 F H -0.7319
80 L H 0.0000
81 E H -1.4547
82 L H 0.0000
82A R H -1.6309
82B S H -1.2583
82C L H 0.0000
83 T H -1.4014
84 S H -1.3942
85 D H -1.9317
86 D H 0.0000
87 T H -0.6838
88 A H 0.0000
89 V H -0.1110
90 Y H 0.0000
91 F H 0.0000
92 C H 0.0000
93 T H 0.0000
94 R H 0.0000
95 G H 0.0000
96 K H -0.3935
97 Y H 0.3318
98 C H -0.2276
99 T H -0.8561
99A A H -1.2987
99B R H -2.2322
99C D H -1.3218
99D Y H 0.2248
100 Y H 1.4434
101 N H 0.0000
102 W H 0.6665
103 D H 0.0000
104 F H 0.0000
105 E H -0.6794
106 H H -0.8443
107 W H -0.7846
108 G H 0.0000
109 R H -2.4502
110 G H 0.0000
111 A H 0.0000
112 P H -0.6031
113 V H 0.0000
114 T H -0.6529
115 V H 0.0000
116 S H -0.8285
117 S H -0.7723
118 A H -0.5744
119 S H -0.6198
120 T H -0.6960
121 K H -1.2475
122 G H -1.4263
123 P H 0.0000
124 S H -0.4128
125 V H 0.0000
126 F H 0.0000
127 P H -1.2674
128 L H 0.0000
129 A H -1.2641
130 P H 0.0000
131 S H -0.8152
132 S H -0.3910
137 G H -0.7847
138 G H -0.8965
139 T H -0.6784
140 A H -0.3601
141 A H 0.0000
142 L H 0.0000
143 G H 0.0000
144 C H 0.0000
145 L H 0.0000
146 V H 0.0000
147 K H 0.0000
148 D H -0.5647
149 Y H 0.0000
150 F H 0.0000
151 P H -0.8861
152 E H -1.0066
153 P H -1.0702
154 V H -0.8663
155 T H -0.7082
156 V H -0.2461
157 S H -0.4317
158 W H 0.0000
159 N H -0.7777
160 S H -0.6333
161 G H -0.3988
162 A H -0.1874
163 L H -0.0130
164 T H -0.1615
165 S H -0.1934
166 G H -0.2277
167 V H 0.1542
168 H H -0.1173
169 T H 0.0169
170 F H 0.0000
171 P H -0.2992
172 A H 0.1739
173 V H 0.6307
174 L H 1.2883
175 Q H 0.2586
176 S H -0.0199
177 S H -0.1845
178 G H 0.0731
179 L H 0.0505
180 Y H 0.3560
181 S H 0.0000
182 L H 0.0000
183 S H 0.0000
184 S H 0.0000
185 V H 0.0000
186 V H 0.0000
187 T H -0.1430
188 V H 0.0000
189 P H -0.6673
190 S H -0.7034
191 S H -0.6429
192 S H -0.6473
193 L H -0.8467
194 G H -0.9917
195 T H -0.7564
196 Q H -1.2912
197 T H -1.1797
198 Y H 0.0000
199 I H -1.5163
200 C H 0.0000
201 N H -1.6081
202 V H 0.0000
203 N H -2.1797
204 H H 0.0000
205 K H -2.8824
206 P H -1.7686
207 S H -1.8252
208 N H -2.6773
209 T H -2.1307
210 K H -2.8195
211 V H -1.7909
212 D H -2.6851
213 K H -2.2914
214 R H -2.7511
215 V H 0.0000
216 E H -2.9065
217 P H -1.9260
218 K H -2.6291
3 V L 1.1724
4 L L 0.0000
5 T L -0.6436
6 Q L 0.0000
7 S L -0.6279
8 P L -0.2528
9 A L -0.4630
10 T L -0.4969
11 L L -0.0252
12 S L -0.2213
13 L L -0.4820
14 S L 0.0000
15 P L -1.6692
16 G L -1.9169
17 E L -1.8056
18 T L -0.7542
19 A L 0.0000
20 I L 1.1304
21 I L 0.0000
22 S L -0.7882
23 C L 0.0000
24 R L -2.2796
25 T L 0.0000
26 S L -0.8164
27 E L -1.2235 mutated: QL27E
28 Y L 0.0701
29 G L -0.4325
30 D L -1.0267 mutated: SL30D
31 L L 0.0000
32 A L 0.0000
33 W L 0.0000
34 Y L 0.0000
35 Q L 0.0000
36 Q L -1.4089
37 R L -1.9349
38 P L -1.3684
39 G L -1.7031
40 Q L -2.3993
41 A L -1.6823
42 P L 0.0000
43 R L -1.2434
44 L L 0.0000
45 V L 0.0000
46 I L 0.0000
47 Y L -0.6911
48 S L -0.9231
49 G L 0.0000
50 S L -0.9930
51 T L -0.6094
52 R L -1.4579
53 A L -0.7989
54 A L -0.3716
55 G L -0.6548
56 I L -0.7735
57 P L -1.2390
58 D L -2.1901
59 R L -1.6438
60 F L 0.0000
61 S L -0.8166
62 G L -0.8084
63 S L -1.2419
64 R L -2.0114
65 W L -0.4674
66 G L -0.8298
67 A L -1.3145
68 D L -1.8205
69 Y L 0.0000
70 N L -1.0034
71 L L 0.0000
72 S L 0.0725
73 I L 0.0000
74 S L -1.5143
75 N L -2.4289
76 L L 0.0000
77 E L -2.4891
78 S L -1.2394
79 G L -1.2320
80 D L 0.0000
81 F L 0.0000
82 G L -0.9863
83 V L -0.7254
84 Y L 0.0000
85 Y L 0.0000
86 C L 0.0000
87 Q L 0.0000
88 Q L 0.0000
89 Y L 1.4801
90 E L 0.7864
91 F L 1.3408
92 F L 0.0000
93 G L 0.0000
94 Q L -2.0888
95 G L 0.0000
96 T L 0.0000
97 K L -1.4416
98 V L 0.0000
99 Q L -0.6481
100 V L -0.5967
101 D L -0.8033
102 I L -0.6254
103 K L -1.5229
104 R L -1.2105
105 T L -0.1445
106 V L 0.6050
107 A L 0.1426
108 A L -0.0594
109 P L 0.0000
110 S L -0.1757
111 V L 0.0000
112 F L 0.1210
113 I L 0.1382
114 F L 0.0000
115 P L -0.6339
116 P L 0.0000
117 S L -1.6276
118 D L -2.8996
119 E L -2.4616
120 Q L 0.0000
121 L L -2.0830
122 K L -2.6881
123 S L -1.6614
124 G L -1.2416
125 T L -0.9676
126 A L 0.0000
127 S L 0.0000
128 V L 0.0000
129 V L 0.0000
130 C L 0.0000
131 L L 0.0000
132 L L 0.0000
133 N L 0.0000
134 N L -0.8114
135 F L 0.0000
136 Y L 0.0000
137 P L -1.4368
138 R L -2.4328
139 E L -2.8321
140 A L -1.9663
141 K L -1.8645
142 V L -0.8404
143 Q L -0.4969
144 W L 0.0000
145 K L -0.5433
146 V L 0.0000
147 D L -1.9844
148 N L -1.5340
149 A L -0.2728
150 L L 0.6943
151 Q L -0.2477
152 S L -0.5010
153 G L -1.0499
154 N L -1.3789
155 S L -1.4149
156 Q L -1.5927
157 E L -1.5614
158 S L -0.8537
159 V L -0.6623
160 T L -1.1366
161 E L -2.1906
162 Q L -1.7077
163 D L -1.8678
164 S L -1.6257
165 K L -2.2352
166 D L -1.6352
167 S L -1.6556
168 T L 0.0000
169 Y L 0.0000
170 S L 0.0000
171 L L 0.0000
172 S L 0.0000
173 S L 0.0000
174 T L -0.7257
175 L L 0.0000
176 T L -0.5830
177 L L -0.7325
178 S L -1.1963
179 K L -2.0406
180 A L -1.8653
181 D L -2.3567
182 Y L 0.0000
183 E L -3.5507
184 K L -3.6238
185 H L -3.0068
186 K L -3.3223
187 V L -1.4721
188 Y L 0.0000
189 A L -0.8326
190 C L 0.0000
191 E L -0.8525
192 V L 0.0000
193 T L -1.0289
194 H L -1.3504
195 Q L -1.6471
196 G L -0.4296
197 L L -0.2378
198 S L -0.4743
199 S L -0.4144
200 P L -0.5727
201 V L -0.0250
202 T L -0.4601
203 K L -0.7319
204 S L -0.4911
205 F L -0.8929
206 N L -1.9743
207 R L -2.6496
208 G L -2.4046
209 E L -2.6966

 

Laboratory of Theory of Biopolymers 2015