Project name: 679f39c8b767e13 [mutate: YL32A]

Status: done

submitted: 2019-10-10 15:27:03, status changed: 2019-10-10 15:44:48
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Chain sequence(s) H: QVHLQESGPELVRPGASVKISCKTSGYVFSSSWMNWVKQRPGQGLKWIGRIYPGNGNTNYNEKFKGKATLTADKSSNTAYMQLSSLTSVDSAVYFCATSSAYWGQGTLLTVSAAKTTPPSVYPLAPGNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPR
L: DIQMTQTTSSLSASLGDRVTFSCSASQDISNYLNWYQQKPDGTIKLLIYYTSSLRSGVPSRFSGSGSGTDYSLTINNLEPEDIATYFCQQYSRLPFTFGSGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YL32A
Energy difference between WT (input) and mutated protein (by FoldX) -0.0665596 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
-3.4631
Maximal score value
1.5639
Average score
-0.7374
Total score value
-311.1865

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
1 D L -2.3419
2 I L 0.0000
3 Q L -1.9255
4 M L 0.0000
5 T L -0.7831
6 Q L -0.5341
7 T L -0.2146
8 T L -0.4414
9 S L -0.7631
10 S L -0.9510
11 L L -0.4287
12 S L -0.7503
13 A L 0.0000
14 S L -1.7758
15 L L -1.4820
16 G L -2.4303
17 D L -3.2714
18 R L -3.4631
19 V L 0.0000
20 T L -0.5026
21 F L 0.0000
22 S L -0.5710
23 C L 0.0000
24 S L -1.6053
25 A L -1.7634
26 S L -1.9997
27 Q L -2.7057
28 D L -2.8359
29 I L 0.0000
30 S L -0.9435
31 N L -0.6031
32 A L 0.0000 mutated: YL32A
33 L L 0.0000
34 N L 0.0000
35 W L 0.0000
36 Y L 0.0000
37 Q L 0.0000
38 Q L -1.2385
39 K L -1.8555
40 P L -1.8666
41 D L -2.3198
42 G L -1.4612
43 T L -1.3339
44 I L 0.0000
45 K L -1.7070
46 L L 0.0000
47 L L 0.0000
48 I L 0.0000
49 Y L 1.3283
50 Y L 1.5639
51 T L 0.0000
52 S L 0.1655
53 S L 0.4873
54 L L 0.5078
55 R L -0.3617
56 S L -0.4345
57 G L -0.5415
58 V L -0.4441
59 P L -0.4984
60 S L -0.5656
61 R L -1.3714
62 F L 0.0000
63 S L -0.4357
64 G L -0.0373
65 S L -0.6757
66 G L -1.1835
67 S L -1.4774
68 G L -1.8596
69 T L -2.1891
70 D L -2.5271
71 Y L 0.0000
72 S L -0.7231
73 L L 0.0000
74 T L -0.7673
75 I L 0.0000
76 N L -3.0284
77 N L -3.2641
78 L L 0.0000
79 E L -3.2819
80 P L -2.5206
81 E L -2.9200
82 D L 0.0000
83 I L 0.0000
84 A L 0.0000
85 T L -1.0504
86 Y L 0.0000
87 F L 0.0000
88 C L 0.0000
89 Q L 0.0000
90 Q L 0.0000
91 Y L 0.3436
92 S L -0.7913
93 R L -1.4809
94 L L -0.3726
95 P L -0.8254
96 F L -0.2905
97 T L -0.7157
98 F L 0.0000
99 G L 0.0000
100 S L -0.8725
101 G L 0.0000
102 T L 0.0000
103 K L -1.9819
104 L L 0.0000
105 E L -1.5833
106 I L 0.0000
107 K L -1.8619
108 R L -1.8189
109 A L -1.4709
110 D L -2.5229
111 A L -1.2879
112 A L -0.7135
113 P L 0.0000
114 T L -0.1183
115 V L 0.0000
116 S L 0.0164
117 I L 0.0506
118 F L 0.0000
119 P L 0.0000
120 P L 0.0000
121 S L 0.0000
122 S L -1.0326
123 E L -1.3882
124 Q L 0.0000
125 L L -0.9563
126 T L -0.7413
127 S L -0.7838
128 G L -1.1257
129 G L -1.0322
130 A L 0.0000
131 S L 0.0000
132 V L 0.0000
133 V L 0.0000
134 C L 0.0000
135 F L 0.0000
136 L L 0.0000
137 N L 0.0000
138 N L -0.7371
139 F L 0.0000
140 Y L 0.0000
141 P L -2.2559
142 K L -2.4755
143 D L -2.8162
144 I L -1.8393
145 N L -1.9346
146 V L 0.0000
147 K L -1.5216
148 W L 0.0000
149 K L -2.3098
150 I L 0.0000
151 D L -2.6932
152 G L -2.0896
153 S L -2.1976
154 E L -3.1453
155 R L -2.6567
156 Q L -2.5028
157 N L -2.0559
158 G L -0.9596
159 V L -0.6010
160 L L -0.1243
161 N L -0.2862
162 S L 0.0000
163 W L 0.4182
164 T L -0.6082
165 D L -2.1118
166 Q L 0.0000
167 D L -1.9344
168 S L -2.3865
169 K L -2.7392
170 D L -1.8077
171 S L 0.0000
172 T L 0.0000
173 Y L 0.0000
174 S L 0.0000
175 M L 0.0000
176 S L 0.0000
177 S L 0.0000
178 T L 0.0000
179 L L 0.0000
180 T L -0.2838
181 L L 0.0000
182 T L -1.5024
183 K L -2.3024
184 D L -3.0623
185 E L -2.4480
186 Y L 0.0000
187 E L -2.7415
188 R L -3.1113
189 H L -2.4687
190 N L -2.4163
191 S L -1.9251
192 Y L 0.0000
193 T L -0.9142
194 C L 0.0000
195 E L 0.0000
196 A L 0.0000
197 T L -0.9395
198 H L 0.0000
199 K L -2.6253
200 T L -1.3456
201 S L -0.7334
202 T L -0.5621
203 S L -0.1056
204 P L -0.2407
205 I L 0.6549
206 V L 0.8347
207 K L -0.0203
208 S L -0.3340
209 F L -0.9737
210 N L -2.0863
211 R L -2.3128
212 N L -2.5665
213 E L -2.5357
214 C L -1.0987
1 Q H -1.2827
2 V H -0.3346
3 H H -1.4275
4 L H 0.0000
5 Q H -1.8936
6 E H 0.0000
7 S H -1.0941
8 G H -0.9344
9 P H -0.6193
10 E H -1.1104
11 L H -0.8003
12 V H -1.1665
13 R H -2.1325
14 P H -1.2733
15 G H -1.0985
16 A H -0.8107
17 S H -0.9756
18 V H -1.1485
19 K H -1.7368
20 I H 0.0000
21 S H -0.9112
22 C H 0.0000
23 K H -1.9974
24 T H 0.0000
25 S H -0.9496
26 G H -0.5137
27 Y H 0.5727
28 V H 1.4898
29 F H 0.0000
30 S H -0.3882
31 S H 0.2490
32 S H 0.2705
33 W H -0.0920
34 M H 0.0000
35 N H 0.0000
36 W H 0.0000
37 V H 0.0000
38 K H -1.0101
39 Q H -1.5910
40 R H -2.3344
41 P H -1.7739
42 G H -1.7431
43 Q H -2.3013
44 G H -1.5509
45 L H 0.0000
46 K H -1.4203
47 W H 0.0000
48 I H 0.0000
49 G H 0.0000
50 R H -0.4749
51 I H 0.0000
52 Y H -0.6263
53 P H 0.0000
54 G H -1.4222
55 N H -2.0169
56 G H -1.7729
57 N H -1.8416
58 T H -0.9661
59 N H -0.8526
60 Y H -1.1778
61 N H 0.0000
62 E H -3.2047
63 K H -3.2470
64 F H 0.0000
65 K H -3.1654
66 G H -2.0217
67 K H -1.6910
68 A H 0.0000
69 T H -0.8574
70 L H 0.0000
71 T H -0.7309
72 A H -1.3287
73 D H -1.9672
74 K H -2.3096
75 S H -1.4532
76 S H -1.5264
77 N H -1.7219
78 T H 0.0000
79 A H 0.0000
80 Y H -0.6036
81 M H 0.0000
82 Q H -1.2569
83 L H 0.0000
84 S H -0.8421
85 S H -0.7876
86 L H 0.0000
87 T H -0.1250
88 S H 0.3378
89 V H 1.3863
90 D H 0.0000
91 S H 0.0643
92 A H 0.0000
93 V H -0.2627
94 Y H 0.0000
95 F H 0.0000
96 C H 0.0000
97 A H 0.0000
98 T H 0.0000
99 S H -0.1393
100 S H -0.0746
104 A H 0.0000
105 Y H -0.2121
106 W H -0.5461
107 G H 0.0000
108 Q H -1.2312
109 G H 0.0000
110 T H 0.0000
111 L H -0.1104
112 L H 0.0000
113 T H -0.2268
114 V H 0.0000
115 S H -0.9714
116 A H -1.0396
117 A H -1.3586
118 K H -2.1024
119 T H -0.8970
120 T H -0.6936
121 P H -0.5995
122 P H -0.3204
123 S H -0.3838
124 V H 0.0000
125 Y H 0.0000
126 P H -0.4814
127 L H 0.0000
128 A H 0.0000
129 P H -0.3126
130 G H -1.0973
136 N H -1.1616
137 S H -0.5230
138 M H 0.2423
139 V H 0.0722
140 T H 0.2096
141 L H 0.0000
142 G H 0.0000
143 C H 0.0000
144 L H 0.0000
145 V H 0.0000
146 K H -0.3032
147 G H -0.3841
148 Y H 0.0000
149 F H 0.0000
150 P H 0.0000
151 E H -0.4000
152 P H -0.3780
153 V H -0.1961
154 T H -0.2056
155 V H -0.2209
156 T H -0.4569
157 W H 0.0000
158 N H -1.0497
159 S H -0.8975
160 G H -0.7326
161 S H -0.5667
162 L H -0.2227
163 S H -0.3925
164 S H -0.5076
165 G H -0.2957
166 V H 0.1829
167 H H 0.0000
168 T H 0.1762
169 F H 0.0000
170 P H -0.0160
171 A H 0.2809
172 V H 0.6703
173 L H 0.3202
174 Q H -1.0715
175 S H -1.3115
176 D H -2.0083
177 L H -0.6177
178 Y H 0.0166
179 T H 0.1624
180 L H 0.0000
181 S H 0.0000
182 S H 0.0000
183 S H 0.0000
184 V H 0.0000
185 T H 0.1647
186 V H 0.0000
187 P H -0.2028
188 S H -0.5556
189 S H -0.7202
190 P H -0.9888
191 R H -0.8536
192 P H -0.7928
193 S H -1.2288
194 E H -2.0784
195 T H -1.1805
196 V H 0.0000
197 T H -1.2043
198 C H 0.0000
199 N H -1.4398
200 V H 0.0000
201 A H -0.8831
202 H H 0.0000
203 P H -0.8690
204 A H -0.6847
205 S H -0.6477
206 S H -0.7097
207 T H -0.8823
208 K H -1.8617
209 V H -1.1343
210 D H -2.3342
211 K H -1.3945
212 K H -1.5442
213 I H 0.0000
214 V H 0.5096
215 P H -0.5825
216 R H -1.5322

 

Laboratory of Theory of Biopolymers 2015