Project name: AMS200

Status: done

Started: 2021-03-01 10:38:44
Settings
Chain sequence(s) A: DTVMTQSPDSLAVSLGERATINCKTNQNVDYYGNSYLHWYQQKPGQPPKLLIFLHSNLASGIPDRFSGGGSGTDFTLTISSLQAEDVAVYYCQQSKNLPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECEVQLVESGGGLVQPGGSLRLSCAASGITFSNYGMAWVRQAPGKGLEWVASISTGGGNTYYRDSVKGRFTISRDNAKNSLYLQMNSLRAEDTAVYYCARLDLTDPFMDAWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKT
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             (00:01:32)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:01:32)
[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.                                                            (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:58)
Show buried residues

Minimal score value
-3.3283
Maximal score value
1.5448
Average score
-0.6408
Total score value
-283.8775

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 -1.3410
2 T A -0.7490
3 V A 0.4636
4 M A 0.0000
5 T A -0.8858
6 Q A 0.0000
7 S A -1.4204
8 P A -1.3714
9 D A -2.2368
10 S A -1.1403
11 L A -0.4614
12 A A -0.3290
13 V A -0.7490
14 S A -0.9439
15 L A -0.3305
16 G A -1.3954
17 E A -2.8049
18 R A -2.8006
19 A A 0.0000
20 T A -0.7154
21 I A 0.0000
22 N A -1.8064
23 C A 0.0000
24 K A -1.9607
25 T A 0.0000
26 N A -1.9303
27 Q A -2.3248
28 N A -2.3179
30A V A 0.0000
30B D A -0.5786
30C Y A 1.0715
30D Y A 1.3860
30E G A 0.1474
30F N A -0.1668
31 S A 0.0000
32 Y A 0.1112
33 L A 0.0000
34 H A 0.0000
35 W A 0.0000
36 Y A 0.0000
37 Q A 0.0000
38 Q A 0.0000
39 K A -1.0144
40 P A -0.9934
41 G A -1.3262
42 Q A -1.9023
43 P A -1.3275
44 P A 0.0000
45 K A -1.2180
46 L A 0.0000
47 L A 0.0000
48 I A 0.0000
51A F A 0.6259
51 L A 0.2686
51B H A -0.4797
52 S A -0.3126
53 N A -0.1932
54 L A 0.1019
55 A A -0.0403
56 S A -0.3388
57 G A -0.5644
58 I A -0.4700
59 P A -0.9928
60 D A -1.8694
61 R A -1.4691
62 F A 0.0000
63 S A -0.6014
64 G A -0.4061
65 G A -0.8458
66 G A -1.1628
67 S A -1.2574
68 G A -1.5766
69 T A -2.1871
70 D A -2.6298
71 F A 0.0000
72 T A -1.1056
73 L A 0.0000
74 T A -0.7027
75 I A 0.0000
76 S A -1.7738
77 S A -1.7388
78 L A 0.0000
79 Q A -1.2271
80 A A -0.4962
81 E A -1.1258
82 D A 0.0000
83 V A 0.0009
84 A A 0.0000
85 V A 0.1135
86 Y A 0.0000
87 Y A 0.0000
88 C A 0.0000
89 Q A 0.0000
90 Q A 0.0000
91 S A 0.0000
92 K A -0.4722
93 N A -0.6640
94 L A 0.0389
95 P A -0.5270
96 Y A 0.0000
97 T A -0.2609
98 F A 0.0000
99 G A 0.0000
100 Q A -1.5920
101 G A 0.0000
102 T A 0.0000
103 K A -0.5009
104 L A 0.0000
105 E A 0.0000
106 I A -0.2463
107 K A -0.9692
108 R A -0.8207
113 T A 0.1747
114 V A 1.1563
115 A A 0.3826
116 A A -0.0307
117 P A 0.0000
118 S A -0.1441
119 V A 0.0000
120 F A -0.0310
121 I A 0.0000
122 F A 0.0000
123 P A 0.0000
124 P A 0.0000
125 S A 0.0000
126 D A -2.5658
127 E A -2.0888
128 Q A 0.0000
129 L A -1.8057
130 K A -2.5402
131 S A -1.5646
132 G A -1.3409
133 T A -0.9597
134 A A 0.0000
135 S A 0.0000
136 V A 0.0000
137 V A 0.0000
138 C A 0.0000
139 L A 0.0000
140 L A 0.0000
141 N A 0.0000
142 N A -1.0026
143 F A 0.0000
144 Y A 0.0000
145 P A 0.0000
146 R A -1.9786
147 E A -2.6857
148 A A 0.0000
149 K A -2.4368
150 V A 0.0000
151 Q A -0.9077
152 W A 0.0000
153 K A -0.3417
154 V A 0.0000
155 D A -1.9062
156 N A -1.4790
157 A A -0.1390
158 L A 0.8052
159 Q A -0.0752
160 S A -0.5259
161 G A -0.9623
162 N A -0.8798
163 S A -1.0057
164 Q A -1.0982
165 E A -1.3517
166 S A 0.0000
167 V A -0.2445
168 T A -0.7125
169 E A -1.4378
170 Q A -1.6104
171 D A -2.3853
172 S A -1.8848
173 K A -2.5434
174 D A -2.2378
175 S A -2.1204
176 T A 0.0000
177 Y A 0.0000
178 S A 0.0000
179 L A 0.0000
180 S A 0.0000
181 S A 0.0000
182 T A -0.5106
183 L A 0.0000
184 T A -0.2735
185 L A -0.0909
186 S A -0.7779
187 K A -1.7950
188 A A -1.3477
189 D A -1.7070
190 Y A -1.7950
191 E A -2.8120
192 K A -3.0574
193 H A -2.7671
194 K A -3.3283
195 V A -1.9486
196 Y A 0.0000
197 A A 0.0000
198 C A 0.0000
199 E A -0.6162
200 V A 0.0000
201 T A -1.1778
202 H A 0.0000
203 Q A -1.6732
204 G A -0.5783
205 L A -0.4476
206 S A -0.5103
207 S A -0.4471
208 P A -0.5341
209 V A -0.0674
210 T A -0.4623
211 K A -0.7167
212 S A -0.6670
213 F A 0.0000
214 N A -2.1942
215 R A -2.9052
216 G A -2.4089
217 E A -2.4477
218 C A -1.3380
1 E A -1.7244
2 V A -0.4157
3 Q A -0.6962
4 L A 0.0000
5 V A 1.1700
6 E A 0.4128
7 S A -0.2470
8 G A -0.8240
9 G A -0.0815
10 G A 0.3602
11 L A 0.6792
12 V A -0.5153
13 Q A -1.5878
14 P A -1.7270
15 G A -1.6197
16 G A -1.2095
17 S A -1.3237
18 L A -1.0420
19 R A -2.0359
20 L A 0.0000
21 S A -0.4117
22 C A 0.0000
23 A A -0.0372
24 A A 0.0000
25 S A -0.5807
26 G A -0.8325
27 I A -0.2844
28 T A -0.3660
29 F A 0.0000
30 S A -1.2399
30A N A -1.3530
31 Y A -0.5201
32 G A 0.0000
33 M A 0.0000
34 A A 0.0000
35 W A 0.0000
36 V A 0.0000
37 R A 0.0000
38 Q A -0.5180
39 A A -0.8602
40 P A -0.9698
41 G A -1.4378
42 K A -2.2793
43 G A -1.3662
44 L A 0.0000
45 E A -0.7473
46 W A 0.0000
47 V A 0.0000
48 A A 0.0000
49 S A 0.0000
50 I A 0.0000
51 S A 0.0000
51A T A -0.9940
51B G A -1.2695
53 G A -1.1944
54 G A -1.3091
55 N A -1.5569
56 T A -0.6002
57 Y A 0.2297
58 Y A -0.0253
59 R A -1.1197
60 D A -2.2286
61 S A -1.5175
62 V A 0.0000
63 K A -2.4655
64 G A -1.6392
65 R A -1.3405
66 F A 0.0000
67 T A -0.3876
68 I A 0.0000
69 S A -0.4874
70 R A -0.9766
71 D A -1.4047
72 N A -1.7919
73 A A -1.3268
74 K A -2.2144
75 N A -1.5472
76 S A -1.1436
77 L A 0.0000
78 Y A -0.4261
79 L A 0.0000
80 Q A -1.1218
81 M A 0.0000
82 N A -1.4495
83 S A -1.4212
84 L A 0.0000
85 R A -2.7657
86 A A -1.7303
87 E A -1.9318
88 D A 0.0000
89 T A -0.3786
90 A A 0.0000
91 V A 0.7880
92 Y A 0.0000
93 Y A 0.0000
94 C A 0.0000
95 A A 0.0000
96 R A -0.2426
102A L A 0.0000
102B D A -1.2334
102C L A 0.0017
102D T A -0.2205
102E D A -0.2065
102F P A 0.0000
102G F A -0.1289
102H M A 0.0000
103 D A -0.6993
104 A A -0.4661
105 W A -0.2727
106 G A 0.0000
107 Q A -1.1591
108 G A -0.1484
109 T A 0.5301
110 L A 1.5448
111 V A 0.0000
112 T A 0.0000
113 V A 0.0000
114 S A -0.7929
115 S A -0.6282
120 A A -0.5147
121 S A -0.4273
122 T A -0.5110
123 K A -0.9737
124 G A -1.2752
125 P A -0.5421
126 S A -0.2165
127 V A -0.1194
128 F A -0.4064
129 P A -0.6813
130 L A 0.0000
131 A A 0.0000
132 P A 0.0000
133 S A -0.6008
134 S A -0.6927
135 K A -0.6057
136 S A -0.7285
137 T A -0.7666
138 S A -0.7241
139 G A -0.8246
140 G A -0.8319
141 T A -0.5755
142 A A 0.0000
143 A A 0.0000
144 L A 0.0000
145 G A 0.0000
146 C A 0.0000
147 L A 0.0000
148 V A 0.0000
149 K A 0.0000
150 D A -0.3722
151 Y A 0.0000
152 F A 0.0000
153 P A -0.5437
154 E A -0.8527
155 P A -1.0313
156 V A 0.0000
157 T A -0.7434
158 V A -0.4370
159 S A -0.3786
160 W A 0.0000
161 N A -0.7322
162 S A -0.6637
163 G A -0.4547
164 A A -0.1900
165 L A -0.0206
166 T A -0.1823
167 S A -0.1792
168 G A -0.2568
169 V A 0.1803
170 H A 0.0252
171 T A 0.0253
172 F A 0.0000
173 P A -0.3035
174 A A 0.0084
175 V A 0.0000
176 L A 0.8463
177 Q A 0.0260
178 S A -0.3271
179 S A -0.2559
180 G A -0.0822
181 L A -0.0292
182 Y A 0.0000
183 S A 0.0000
184 L A 0.0000
185 S A 0.0000
186 S A 0.0000
187 V A 0.0000
188 V A 0.0000
189 T A -0.1736
190 V A 0.0000
191 P A -0.5698
192 S A 0.0000
193 S A -0.8037
194 S A -0.6222
195 L A -0.7307
196 G A -0.8787
197 T A -0.7464
198 Q A -1.0509
199 T A -0.9356
200 Y A 0.0000
201 I A -0.8043
202 C A 0.0000
203 N A -1.4582
204 V A 0.0000
205 N A -2.0152
206 H A 0.0000
207 K A -2.8195
208 P A -1.6713
209 S A -1.8436
210 N A -2.4913
211 T A -2.0170
212 K A -2.5690
213 V A -1.3839
214 D A -2.4558
215 K A -1.7262
216 R A -2.2144
217 V A 0.0000
218 E A -1.2570
219 P A -0.7456
220 K A -0.7385
221 S A -1.2327
222 C A -1.5593
223 D A -2.5359
224 K A -2.5927
225 T A -1.4483
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Laboratory of Theory of Biopolymers 2018