Project name: HC-S134M [mutate: SH134M]

Status: done

submitted: 2018-01-12 20:56:20, status changed: 2018-01-12 21:15:53
Settings
Chain sequence(s) H: EVQLVESGGGLVQPGGSLRLSCAASGFAFSTYDMSWVRQAPGKGLEWVATISSGGSYTYYLDSVKGRFTISRDSSKNTLYLQMNSLRAEDTAVYYCAPTTVVPFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTSAA
L: DIQMTQSPSSLSASVGDRVTITCKASQNVRTVVAWYQQKPGKAPKTLIYLASNRHTGVPSRFSGSGSGTDFTLTISSLQPEDFATYFCLQHWSYPLTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues SH134M
Energy difference between WT (input) and mutated protein (by FoldX) -0.878486 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
-3.7177
Maximal score value
1.3012
Average score
-0.714
Total score value
-315.5937

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 -2.4047
2 I L 0.0000
3 Q L -2.0435
4 M L 0.0000
5 T L -1.1056
6 Q L 0.0000
7 S L -0.6023
8 P L -0.5589
9 S L -0.8399
10 S L -0.7074
11 L L -0.4816
12 S L -0.8713
13 A L 0.0000
14 S L -0.5234
15 V L 0.4442
16 G L -0.5836
17 D L -1.5498
18 R L -2.2395
19 V L 0.0000
20 T L -0.5906
21 I L 0.0000
22 T L -0.7518
23 C L 0.0000
24 K L -2.1071
25 A L -1.9775
26 S L -2.0858
27 Q L -2.6921
28 N L -2.7267
29 V L 0.0000
30 R L -2.5176
31 T L -1.2505
32 V L 0.0000
33 V L 0.0000
34 A L 0.0000
35 W L 0.0000
36 Y L 0.0000
37 Q L 0.0000
38 Q L -1.3609
39 K L -1.9152
40 P L -1.8054
41 G L -1.5559
42 K L -2.5372
43 A L -1.7566
44 P L 0.0000
45 K L -1.7358
46 T L 0.0000
47 L L 0.0000
48 I L 0.0000
49 Y L -0.0023
50 L L 0.0482
51 A L 0.0000
52 S L -0.9381
53 N L -1.3624
54 R L -2.2482
55 H L 0.0000
56 T L -1.1816
57 G L -1.3246
58 V L 0.0000
59 P L -0.7481
60 S L -0.8810
61 R L -1.0623
62 F L 0.0000
63 S L -0.9274
64 G L 0.0000
65 S L -0.6697
66 G L -1.2644
67 S L -1.7114
68 G L -2.2651
69 T L -2.3564
70 D L -2.6667
71 F L 0.0000
72 T L -0.7465
73 L L 0.0000
74 T L -0.6244
75 I L 0.0000
76 S L -1.2979
77 S L -1.0831
78 L L 0.0000
79 Q L -0.9910
80 P L -0.9771
81 E L -1.9898
82 D L 0.0000
83 F L -0.6380
84 A L 0.0000
85 T L -0.9062
86 Y L 0.0000
87 F L 0.0000
88 C L 0.0000
89 L L 0.0000
90 Q L 0.0000
91 H L 0.4095
92 W L 0.1087
93 S L 0.0428
94 Y L 0.2526
95 P L -0.3376
96 L L 0.0000
97 T L -0.7084
98 F L 0.0000
99 G L 0.0000
100 Q L -1.5518
101 G L 0.0000
102 T L 0.0000
103 K L -1.5679
104 V L 0.0000
105 E L 0.0000
106 I L -0.5692
107 K L -1.4288
108 R L -1.3012
109 T L -0.2490
110 V L 0.1517
111 A L -0.1236
112 A L -0.2554
113 P L 0.0000
114 S L -0.1716
115 V L 0.0000
116 F L 0.2588
117 I L 0.1120
118 F L 0.0000
119 P L -0.6967
120 P L 0.0000
121 S L -1.3436
122 D L -2.6369
123 E L -2.1529
124 Q L 0.0000
125 L L -1.8275
126 K L -2.5607
127 S L -1.5637
128 G L -1.3770
129 T L -1.1228
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 L L 0.0000
136 L L 0.0000
137 N L 0.0000
138 N L -1.3969
139 F L 0.0000
140 Y L 0.0000
141 P L -1.3044
142 R L -1.7354
143 E L -2.4651
144 A L -1.7255
145 K L -1.8289
146 V L -0.7033
147 Q L -0.2829
148 W L 0.0000
149 K L -0.4105
150 V L 0.0000
151 D L -1.7640
152 N L -1.4623
153 A L -0.2109
154 L L 0.8277
155 Q L -0.1991
156 S L -0.6272
157 G L -1.2545
158 N L -1.5707
159 S L -1.3236
160 Q L -1.1821
161 E L -1.1093
162 S L -0.5279
163 V L -0.3381
164 T L -0.9232
165 E L -2.0572
166 Q L -1.9419
167 D L -2.3940
168 S L -2.0594
169 K L -2.8633
170 D L -3.0199
171 S L 0.0000
172 T L 0.0000
173 Y L 0.0000
174 S L 0.0000
175 L L 0.0000
176 S L 0.0000
177 S L 0.0000
178 T L -0.5898
179 L L 0.0000
180 T L -0.7180
181 L L -0.8333
182 S L -1.2118
183 K L -2.2005
184 A L -1.9182
185 D L -2.3957
186 Y L 0.0000
187 E L -3.7177
188 K L -3.6147
189 H L -2.8936
190 K L -3.1515
191 V L -1.4821
192 Y L 0.0000
193 A L 0.0000
194 C L 0.0000
195 E L -0.7692
196 V L 0.0000
197 T L -1.0367
198 H L 0.0000
199 Q L -1.5382
200 G L -0.4686
201 L L -0.3133
202 S L -0.4612
203 S L -0.4567
204 P L -0.5950
205 V L -0.0475
206 T L -0.4824
207 K L -0.7675
208 S L -0.7346
209 F L 0.0000
210 N L -2.0075
211 R L -2.8905
212 G L -1.9714
213 E L -1.8156
214 C L 0.0000
1 E H -1.9562
2 V H -0.6307
3 Q H -1.2102
4 L H 0.0000
5 V H 1.2444
6 E H 0.0000
7 S H -0.2156
8 G H -0.5477
9 G H -0.4062
10 G H -0.0532
11 L H 0.2281
12 V H -0.2130
13 Q H -1.0693
14 P H -1.5002
15 G H -1.3446
16 G H -1.1320
17 S H -1.4511
18 L H -1.2710
19 R H -2.1016
20 L H 0.0000
21 S H -0.3026
22 C H 0.0000
23 A H 0.0109
24 A H 0.0000
25 S H -0.3568
26 G H -0.7201
27 F H 0.0000
28 A H -0.1996
29 F H 0.0000
30 S H -0.8209
31 T H -0.3237
32 Y H 0.0158
33 D H -0.2797
34 M H 0.0000
35 S H 0.0000
36 W H 0.0000
37 V H 0.0000
38 R H -0.6919
39 Q H -0.7618
40 A H -1.0392
41 P H -0.8726
42 G H -1.4639
43 K H -2.3443
44 G H -1.5691
45 L H 0.0000
46 E H -0.8832
47 W H 0.0000
48 V H 0.0000
49 A H 0.0000
50 T H 0.0000
51 I H 0.0000
52 S H -0.0865
53 S H 0.0000
54 G H -0.6669
55 G H -0.3927
56 S H -0.0943
57 Y H 1.0159
58 T H 0.7125
59 Y H 0.4138
60 Y H -0.6952
61 L H -1.3435
62 D H -2.6513
63 S H -1.6454
64 V H 0.0000
65 K H -2.7617
66 G H -2.0559
67 R H -2.3985
68 F H 0.0000
69 T H -1.0549
70 I H 0.0000
71 S H -0.2477
72 R H -1.1233
73 D H -1.3753
74 S H -1.3306
75 S H -1.4015
76 K H -2.2322
77 N H -1.5807
78 T H -0.8879
79 L H 0.0000
80 Y H -0.4159
81 L H 0.0000
82 Q H -1.3797
83 M H 0.0000
84 N H -2.0746
85 S H -1.5588
86 L H 0.0000
87 R H -2.3768
88 A H -1.6602
89 E H -2.2215
90 D H 0.0000
91 T H -0.4672
92 A H 0.0000
93 V H 0.5461
94 Y H 0.0000
95 Y H 0.0000
96 C H 0.0000
97 A H 0.0000
98 P H 0.0000
99 T H 0.0000
100 T H 0.7004
101 V H 1.3012
102 V H 1.1914
103 P H 0.1036
104 F H 0.5368
105 A H 0.0150
106 Y H 0.0000
107 W H 0.0000
108 G H 0.0000
109 Q H -1.0364
110 G H -0.3854
111 T H 0.0000
112 L H 1.2049
113 V H 0.0000
114 T H -0.1669
115 V H 0.0000
116 S H -0.8487
117 S H -0.6853
118 A H -0.4489
119 S H -0.5733
120 T H -0.8421
121 K H -1.3658
122 G H -1.4267
123 P H 0.0000
124 S H -0.4857
125 V H 0.0000
126 F H 0.0000
127 P H -1.0829
128 L H 0.0000
129 A H -0.9373
130 P H 0.0000
131 S H -1.1036
132 S H -1.3549
133 K H -1.6031
134 M H -0.6236 mutated: SH134M
135 T H -0.5772
136 S H -0.6297
137 G H -0.6665
138 G H -0.4583
139 T H -0.3267
140 A H -0.2294
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 -0.3972
148 D H -0.6738
149 Y H 0.0000
150 F H 0.0000
151 P H -1.0088
152 E H -1.2531
153 P H -1.3239
154 V H 0.0000
155 T H -0.9596
156 V H -0.4674
157 S H -0.4049
158 W H 0.0000
159 N H -0.7670
160 S H -0.6392
161 G H -0.6351
162 A H -0.3127
163 L H -0.1027
164 T H -0.2385
165 S H -0.2207
166 G H -0.3359
167 V H 0.0823
168 H H -0.2966
169 T H 0.0149
170 F H 0.0000
171 P H -0.3973
172 A H -0.0910
173 V H 0.2075
174 L H 0.7291
175 Q H 0.1210
176 S H -0.1066
177 S H -0.2313
178 G H -0.0221
179 L H -0.2075
180 Y H 0.0000
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 -0.1083
188 V H 0.0000
189 P H -0.5367
190 S H 0.0000
191 S H -0.6152
192 S H -0.7002
193 L H 0.0000
194 G H -1.2382
195 T H -1.1116
196 Q H -1.5184
197 T H -1.2161
198 Y H 0.0000
199 I H -1.1642
200 C H 0.0000
201 N H -1.2853
202 V H 0.0000
203 N H -2.2736
204 H H 0.0000
205 K H -2.9654
206 P H -1.8080
207 S H -1.8799
208 N H -2.6231
209 T H -2.1637
210 K H -2.6518
211 V H -1.3936
212 D H -1.8890
213 K H -1.6422
214 K H -2.3522
215 V H 0.0000
216 E H -2.5609
217 P H -1.4277
218 K H -1.3655
219 S H -1.3054
220 C H -1.8806
221 D H -2.8924
222 K H -2.7991
223 T H -2.1472
224 H H -1.8362
225 T H -1.3599
226 S H -0.6577
227 A H -1.1415
228 A H -1.2182

 

Laboratory of Theory of Biopolymers 2015