Project name: AMS209

Status: done

Started: 2021-03-01 10:51:55
Settings
Chain sequence(s) A: DVVMTQSPSSVSASVGDRVTITCQASQSIGNEFSWYQQKPGKAPKLLIYRASTLASGVPSRFKGSGSGTDFTLTISSLQPEDFATYYCQATYYLTTYGAFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECEVQLVESGGGLVQPGGSLRLSCAASGFSLSNYDMSWVRQAPGKGLEWIGIIYADNEGTWYATWAKGRFTISKDSAKNSVYLQMNSLRDEDTAVYYCARGYSSGSGGSREGFDPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKT
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:01:32)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:01:32)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:01:33)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:01:33)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:01:33)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:35)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:57)
Show buried residues

Minimal score value
-3.4297
Maximal score value
1.555
Average score
-0.5794
Total score value
-258.4093

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 A -1.4239
2 V A 0.0000
3 V A 0.8829
4 M A 0.0000
5 T A -0.2306
6 Q A -0.4405
7 S A -0.5358
8 P A -0.3473
9 S A -0.4579
10 S A -0.2177
11 V A 0.1344
12 S A -0.2966
13 A A 0.0000
14 S A -0.4965
15 V A 0.3006
16 G A -0.6580
17 D A -1.5790
18 R A -2.1614
19 V A 0.0000
20 T A -0.8879
21 I A 0.0000
22 T A -0.5978
23 C A 0.0000
24 Q A -1.3262
25 A A 0.0000
26 S A -0.7165
27 Q A -1.1714
28 S A -1.1662
29 I A 0.0000
30 G A -0.8855
30A N A -1.3738
30B E A -0.7850
30C F A 0.0000
30D S A 0.0000
35 W A 0.0000
36 Y A 0.0000
37 Q A 0.0000
38 Q A -1.0334
39 K A -1.5106
40 P A -1.4067
41 G A -1.7021
42 K A -2.5551
43 A A -1.5928
44 P A 0.0000
45 K A -0.9652
46 L A 0.0000
47 L A 0.0000
48 I A 0.0000
49 Y A -0.0970
50 R A -1.0852
51 A A 0.0000
52 S A -0.8784
53 T A -0.3882
54 L A -0.0657
55 A A 0.0000
56 S A -0.3218
57 G A -0.5515
58 V A -0.1863
59 P A -0.3412
60 S A -0.6252
61 R A -0.9926
62 F A 0.0000
63 K A -1.8211
64 G A -1.0912
65 S A -1.1026
66 G A -1.0903
67 S A -1.1576
68 G A -1.3018
69 T A -1.4911
70 D A -1.9321
71 F A 0.0000
72 T A -0.8556
73 L A 0.0000
74 T A -1.0906
75 I A 0.0000
76 S A -1.4838
77 S A -1.0460
78 L A 0.0000
79 Q A -0.6110
80 P A -0.7029
81 E A -1.5902
82 D A 0.0000
83 F A -0.4892
84 A A 0.0000
85 T A -0.3309
86 Y A 0.0000
87 Y A 0.0000
88 C A 0.0000
89 Q A 0.0000
90 A A 0.0000
91 T A 0.0000
93A Y A 0.5213
93B Y A 1.2974
93C L A 1.5550
93D T A 0.8221
94 T A 0.1489
95 Y A 0.3452
96 G A 0.1826
97 A A 0.0419
98 F A 0.0720
99 G A 0.0000
100 G A -0.7017
101 G A 0.0000
102 T A 0.0000
103 K A -0.2986
104 V A 0.0000
105 E A 0.0000
106 I A -0.1815
107 K A -0.9129
108 R A -0.6743
111 T A 0.2224
112 V A 1.1825
113 A A 0.4852
114 A A 0.1351
115 P A 0.0000
116 S A -0.0479
117 V A 0.0000
118 F A -0.0575
119 I A 0.0000
120 F A 0.0000
121 P A 0.0000
122 P A 0.0000
123 S A 0.0000
124 D A -2.5864
125 E A -2.1073
126 Q A 0.0000
127 L A -1.9700
128 K A -2.5691
129 S A -1.5932
130 G A -1.3752
131 T A -0.9925
132 A A 0.0000
133 S A 0.0000
134 V A 0.0000
135 V A 0.0000
136 C A 0.0000
137 L A 0.0000
138 L A 0.0000
139 N A 0.0000
140 N A -0.6407
141 F A 0.0000
142 Y A 0.0000
143 P A -0.6437
144 R A -1.2737
145 E A -1.8365
146 A A 0.0000
147 K A -1.8206
148 V A 0.0000
149 Q A -0.7595
150 W A 0.0000
151 K A -0.3097
152 V A 0.0000
153 D A -1.7989
154 N A -1.4361
155 A A -0.1267
156 L A 0.8191
157 Q A -0.0309
158 S A -0.5257
159 G A -0.9630
160 N A -0.8459
161 S A -0.9625
162 Q A -1.0627
163 E A -1.2766
164 S A 0.0000
165 V A -0.3199
166 T A -0.8625
167 E A -1.9650
168 Q A 0.0000
169 D A -1.9009
170 S A -1.6709
171 K A -2.2825
172 D A -1.8110
173 S A -1.7161
174 T A 0.0000
175 Y A 0.0000
176 S A 0.0000
177 L A 0.0000
178 S A 0.0000
179 S A 0.0000
180 T A -0.5007
181 L A 0.0000
182 T A -0.2503
183 L A -0.0858
184 S A -0.7642
185 K A -1.7898
186 A A -1.3052
187 D A -1.6534
188 Y A -1.7202
189 E A -2.6501
190 K A -2.9886
191 H A -2.6873
192 K A -3.2703
193 V A -1.9010
194 Y A 0.0000
195 A A 0.0000
196 C A 0.0000
197 E A -0.5226
198 V A 0.0000
199 T A -0.9766
200 H A 0.0000
201 Q A -1.5819
202 G A -0.6204
203 L A -0.3578
204 S A -0.4264
205 S A -0.4341
206 P A -0.4508
207 V A 0.0053
208 T A -0.4420
209 K A -0.7593
210 S A -0.6726
211 F A 0.0000
212 N A -2.0798
213 R A -2.8069
214 G A -2.3184
215 E A -2.3927
216 C A -1.2953
1 E A -1.9075
2 V A -0.6957
3 Q A -1.3708
4 L A 0.0000
5 V A 0.2557
6 E A 0.0000
7 S A -0.3889
8 G A -0.6280
9 G A -0.1104
10 G A 0.5121
11 L A 0.8136
12 V A -0.3225
13 Q A -1.3556
14 P A -2.0573
15 G A -1.5587
16 G A -1.0773
17 S A -1.0681
18 L A -0.5324
19 R A -1.4604
20 L A 0.0000
21 S A -0.3977
22 C A 0.0000
23 A A -0.3069
24 A A 0.0000
25 S A -0.8172
26 G A -1.0762
27 F A 0.0000
30A S A -0.5800
30B L A 0.0000
30C S A -1.3424
30D N A -1.2550
31 Y A -0.0309
32 D A 0.0000
33 M A 0.0000
34 S A 0.0000
35 W A 0.0000
36 V A 0.0000
37 R A -0.4656
38 Q A -0.8169
39 A A -1.0836
40 P A -1.0003
41 G A -1.5060
42 K A -2.3167
43 G A -1.5440
44 L A 0.0000
45 E A -1.0827
46 W A 0.0000
47 I A 0.0000
48 G A 0.0000
49 I A 0.0000
50 I A 0.0000
51A Y A 0.0678
51B A A -1.0745
52 D A -2.7047
53 N A -2.6705
54 E A -2.2236
55 G A -0.9651
56 T A 0.1415
57 W A 1.1611
58 Y A 0.3223
59 A A 0.0065
60 T A -0.3270
61 W A -0.3059
62 A A 0.0000
63 K A -1.7317
64 G A -1.5479
65 R A -1.3651
66 F A 0.0000
67 T A -0.7346
68 I A 0.0000
69 S A -0.6934
70 K A 0.0000
71 D A -1.3076
72 S A -1.2945
73 A A -1.0622
74 K A -1.9844
75 N A -1.3996
76 S A 0.0000
77 V A 0.0000
78 Y A -0.3796
79 L A 0.0000
80 Q A -1.0778
81 M A 0.0000
82 N A -1.3133
83 S A -1.3209
84 L A 0.0000
85 R A -3.4297
86 D A -2.9676
87 E A -2.9478
88 D A 0.0000
89 T A -0.8903
90 A A 0.0000
91 V A 0.5325
92 Y A 0.0000
93 Y A 0.0000
94 C A 0.0000
95 A A 0.0000
96 R A -0.1684
97 G A 0.0000
98 Y A 1.2063
99 S A 0.6487
100 S A -0.1705
101 G A -0.6580
102 S A -0.2241
102A G A 0.1817
102B G A 0.0000
102C S A 0.0000
102D R A 0.0000
102E E A 0.0000
102F G A 0.3188
102G F A 0.0000
103 D A -0.6147
104 P A -0.7053
105 W A 0.0000
106 G A -0.9652
107 Q A -1.4880
108 G A -0.5807
109 T A 0.2006
110 L A 0.9320
111 V A 0.0000
112 T A 0.0000
113 V A 0.0000
114 S A 0.0000
115 S A -0.9188
125 A A -0.5342
126 S A -0.4134
127 T A -0.5099
128 K A -1.0162
129 G A -1.2778
130 P A -0.5438
131 S A -0.2192
132 V A -0.1114
133 F A -0.4136
134 P A -0.6982
135 L A 0.0000
136 A A 0.0000
137 P A 0.0000
138 S A -0.6626
139 S A -0.6847
140 K A -0.6005
141 S A -0.7269
142 T A -0.7644
143 S A -0.7193
144 G A -0.8116
145 G A -0.8278
146 T A -0.5744
147 A A 0.0000
148 A A 0.0000
149 L A 0.0000
150 G A 0.0000
151 C A 0.0000
152 L A 0.0000
153 V A 0.0000
154 K A 0.0000
155 D A -0.3763
156 Y A 0.0000
157 F A 0.0000
158 P A -0.4618
159 E A -0.6691
160 P A -0.9414
161 V A 0.0000
162 T A -0.7415
163 V A -0.4369
164 S A -0.3891
165 W A 0.0000
166 N A -0.7607
167 S A -0.7182
168 G A -0.4674
169 A A -0.1967
170 L A -0.0263
171 T A -0.1802
172 S A -0.1748
173 G A -0.1974
174 V A 0.1773
175 H A -0.0142
176 T A 0.0497
177 F A 0.0000
178 P A -0.4051
179 A A 0.0496
180 V A 0.0000
181 L A 0.9550
182 Q A 0.0975
183 S A -0.2261
184 S A -0.1944
185 G A -0.1145
186 L A 0.0194
187 Y A 0.0000
188 S A 0.0000
189 L A 0.0000
190 S A 0.0000
191 S A 0.0000
192 V A 0.0000
193 V A 0.0000
194 T A -0.1296
195 V A 0.0000
196 P A -0.5669
197 S A 0.0000
198 S A -0.8117
199 S A -0.6323
200 L A -0.7470
201 G A -0.8950
202 T A -0.7811
203 Q A -1.1168
204 T A -0.9785
205 Y A 0.0000
206 I A -0.9041
207 C A 0.0000
208 N A -1.4524
209 V A 0.0000
210 N A -1.9972
211 H A 0.0000
212 K A -2.7836
213 P A -1.6338
214 S A -1.8171
215 N A -2.4749
216 T A -1.9772
217 K A -2.5229
218 V A -1.3115
219 D A -2.4286
220 K A -1.8861
221 R A -2.2385
222 V A 0.0000
223 E A -1.2804
224 P A -0.7407
225 K A -0.7328
226 S A -1.2284
227 C A -1.5421
228 D A -2.5364
229 K A -2.5881
230 T A -1.4492
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Laboratory of Theory of Biopolymers 2018