Project name: AMS137

Status: done

Started: 2021-02-26 13:32:45
Settings
Chain sequence(s) A: EVLLTQSPGTLSLSPGERASLSCRASQSVSSSYLAWYQQKPGQAPRLLIHGASNRATGIPDRFSSSGSGTDFTLTINRVEPEDFVVYFCQLYGNSPKYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECEVQLVQSGAEVKKPGESLKISCKGSGYSFSSYWIGWVRQMPGKGLEWMGIIYPGDSDTRYSPSFQGQVTISADKSISTAYLQWSSLKASDTAMYYCARSGRIFCSRGCWFDPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKT
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]                                                (00:01:27)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:01:27)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:01:27)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:01:27)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:01:27)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:29)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:01:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:51)
Show buried residues

Minimal score value
-3.7711
Maximal score value
2.7401
Average score
-0.6314
Total score value
-280.9709

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 E A -1.7392
2 V A 0.0000
3 L A 0.5379
4 L A 0.0000
5 T A -0.7568
6 Q A 0.0000
7 S A -0.8598
8 P A -0.4764
9 G A -0.7461
10 T A -0.3103
11 L A -0.0041
12 S A -0.3458
13 L A -0.8155
14 S A -1.3742
15 P A -1.6655
16 G A -2.0848
17 E A -2.8146
18 R A -3.4810
19 A A 0.0000
20 S A -0.8785
21 L A 0.0000
22 S A -0.9327
23 C A 0.0000
24 R A -2.1165
25 A A 0.0000
26 S A -1.0694
27 Q A -1.5816
28 S A -1.0556
29 V A -0.6650
30A S A -0.5147
30B S A -0.8597
31 S A -0.6189
32 Y A -0.3048
33 L A 0.0000
34 A A 0.0000
35 W A 0.0000
36 Y A 0.0000
37 Q A 0.0000
38 Q A -0.8395
39 K A -1.4114
40 P A -1.4811
41 G A -1.3348
42 Q A -1.9971
43 A A -1.2421
44 P A 0.0000
45 R A -1.0240
46 L A 0.0000
47 L A 0.0000
48 I A 0.0000
49 H A -0.8402
50 G A -0.9802
51 A A 0.0000
52 S A -1.1871
53 N A -1.8592
54 R A -1.7715
55 A A -0.9060
56 T A -0.5176
57 G A -0.8678
58 I A 0.0000
59 P A -1.2037
60 D A -2.3351
61 R A -2.0525
62 F A 0.0000
63 S A -1.0160
64 S A -0.7715
65 S A -0.9255
66 G A -1.3784
67 S A -1.2385
68 G A -1.4528
69 T A -1.7785
70 D A -2.1503
71 F A 0.0000
72 T A -0.8270
73 L A 0.0000
74 T A -0.9317
75 I A 0.0000
76 N A -2.6766
77 R A -3.7711
78 V A 0.0000
79 E A -2.0592
80 P A -1.3465
81 E A -1.5517
82 D A 0.0000
83 F A 0.0000
84 V A 0.0000
85 V A 0.1679
86 Y A 0.0000
87 F A 0.0000
88 C A 0.0000
89 Q A 0.0000
90 L A 0.0000
91 Y A 0.0000
92 G A 0.0000
93 N A -0.7192
93A S A -0.6720
93B P A -0.8624
93C K A -0.7317
93D Y A 0.0000
97 T A -0.2157
98 F A 0.0135
99 G A 0.0000
100 Q A -1.4498
101 G A -0.9394
102 T A 0.0000
103 K A -0.2032
104 L A 0.0000
105 E A 0.0000
106 I A -1.0028
107 K A -1.0381
108 R A -1.1057
111 T A 0.1216
112 V A 1.2144
113 A A 0.4042
114 A A 0.0110
115 P A 0.0000
116 S A -0.1867
117 V A 0.0000
118 F A -0.0236
119 I A 0.0000
120 F A 0.0000
121 P A -0.4691
122 P A 0.0000
123 S A 0.0000
124 D A -2.5575
125 E A -2.0662
126 Q A 0.0000
127 L A -1.9265
128 K A -2.5382
129 S A -1.5676
130 G A -1.3484
131 T A -0.9674
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 -1.1728
141 F A 0.0000
142 Y A 0.0000
143 P A 0.0000
144 R A -1.8106
145 E A -2.4118
146 A A -1.8605
147 K A -2.4385
148 V A 0.0000
149 Q A -0.8730
150 W A 0.0000
151 K A 0.0000
152 V A 0.0000
153 D A -2.0435
154 N A -1.4468
155 A A -0.1010
156 L A 0.8602
157 Q A 0.0121
158 S A -0.5169
159 G A -0.9746
160 N A -0.8778
161 S A -1.0175
162 Q A -1.1263
163 E A -1.4698
164 S A 0.0000
165 V A -0.4557
166 T A -1.1007
167 E A -2.2835
168 Q A -2.1132
169 D A -2.6270
170 S A -2.1189
171 K A -2.7631
172 D A -2.7168
173 S A 0.0000
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 -0.5403
181 L A 0.0000
182 T A -0.2747
183 L A -0.0959
184 S A -0.7811
185 K A -1.8114
186 A A -1.3371
187 D A -1.6949
188 Y A -1.7137
189 E A -2.7514
190 K A -3.0692
191 H A -2.7835
192 K A -3.4137
193 V A -2.0249
194 Y A 0.0000
195 A A 0.0000
196 C A 0.0000
197 E A -0.6111
198 V A 0.0000
199 T A -1.1816
200 H A 0.0000
201 Q A -1.6035
202 G A -0.4163
203 L A -0.3620
204 S A -0.4435
205 S A -0.4226
206 P A -0.4190
207 V A -0.0639
208 T A -0.4432
209 K A -0.6851
210 S A -0.6629
211 F A 0.0000
212 N A -2.3512
213 R A -3.1980
214 G A -2.5626
215 E A -2.8885
216 C A -1.5794
1 E A -1.9179
2 V A -0.9072
3 Q A -1.1204
4 L A 0.0000
5 V A 0.8683
6 Q A 0.0000
7 S A -0.2765
8 G A -0.3889
9 A A 0.2715
10 E A 0.3542
11 V A 1.3545
12 K A -0.2488
13 K A -1.1493
14 P A -1.4702
15 G A -1.4462
16 E A -1.5055
17 S A -1.0907
18 L A -0.8649
19 K A -1.0953
20 I A 0.0000
21 S A -0.2737
22 C A 0.0000
23 K A -0.4339
24 G A 0.0000
25 S A -0.5121
26 G A -1.1656
27 Y A -0.4377
28 S A -0.3303
29 F A 0.0000
30 S A -0.9657
30A S A -0.3214
31 Y A 0.5729
32 W A 0.2003
33 I A 0.0000
34 G A 0.0000
35 W A 0.0000
36 V A 0.0000
37 R A -0.3805
38 Q A -0.6488
39 M A -0.5312
40 P A -0.8334
41 G A -1.4034
42 K A -2.2113
43 G A -1.3942
44 L A 0.0000
45 E A -0.7248
46 W A 0.0000
47 M A 0.0000
48 G A 0.0000
49 I A 0.0000
50 I A 0.0000
51 Y A -0.8443
51A P A 0.0000
51B G A -1.4778
51C D A -2.3834
51D S A -1.7539
51E D A -1.5775
56 T A -1.3661
57 R A -2.0389
58 Y A -1.3035
59 S A 0.0000
60 P A -1.2827
61 S A -0.8160
62 F A -1.0921
63 Q A -2.0249
64 G A -1.5824
65 Q A -1.8431
66 V A 0.0000
67 T A -0.7641
68 I A 0.0000
69 S A -0.3651
70 A A -0.8598
71 D A -1.3518
72 K A -1.9463
73 S A -0.2719
74 I A 1.0131
75 S A -0.4383
76 T A 0.0000
77 A A 0.0000
78 Y A -0.3952
79 L A 0.0000
80 Q A -0.8952
81 W A 0.0000
82 S A -0.8737
83 S A -1.2314
84 L A 0.0000
85 K A -1.4371
86 A A -0.7552
87 S A -0.4505
88 D A 0.0000
89 T A 0.0742
90 A A 0.0000
91 M A 0.1614
92 Y A 0.0000
93 Y A 0.0000
94 C A 0.0000
95 A A 0.0000
96 R A -0.2523
97 S A 0.0000
98 G A 0.3780
99 R A 1.0990
100 I A 2.6793
101 F A 2.7401
102A C A 1.6510
102B S A 0.6168
102C R A 0.2532
102D G A 0.0000
102E C A 0.0000
102F W A 0.0935
102G F A 0.0000
103 D A -0.7325
104 P A -0.5136
105 W A -0.4046
106 G A 0.0000
107 Q A -0.8815
108 G A 0.0000
109 T A 0.0000
110 L A 0.6351
111 V A 0.0000
112 T A 0.0000
113 V A 0.0000
114 S A -0.3138
115 S A -0.5533
124 A A -0.4185
125 S A -0.2783
126 T A -0.3931
127 K A -0.9704
128 G A -1.2371
129 P A 0.0000
130 S A -0.1954
131 V A -0.1138
132 F A -0.4068
133 P A -0.6896
134 L A 0.0000
135 A A 0.0000
136 P A 0.0000
137 S A -0.5399
138 S A -0.6922
139 K A -0.5701
140 S A -0.7240
141 T A -0.7673
142 S A -0.7332
143 G A -0.8475
144 G A -0.8416
145 T A -0.5991
146 A A 0.0000
147 A A 0.0000
148 L A 0.0000
149 G A 0.0000
150 C A 0.0000
151 L A 0.0000
152 V A 0.0000
153 K A 0.0000
154 D A -0.3467
155 Y A 0.0000
156 F A 0.0000
157 P A 0.0000
158 E A -0.7603
159 P A -1.0273
160 V A 0.0000
161 T A -0.6985
162 V A -0.3695
163 S A -0.3375
164 W A 0.0000
165 N A -0.7403
166 S A -0.6769
167 G A -0.4240
168 A A -0.1894
169 L A -0.0207
170 T A -0.1812
171 S A -0.1894
172 G A -0.3022
173 V A 0.1667
174 H A 0.0157
175 T A 0.0243
176 F A 0.0000
177 P A -0.4782
178 A A 0.1640
179 V A 0.4161
180 L A 1.0452
181 Q A 0.1000
182 S A -0.2593
183 S A -0.2655
184 G A -0.1901
185 L A -0.0465
186 Y A 0.0000
187 S A 0.0000
188 L A 0.0000
189 S A 0.0000
190 S A 0.0000
191 V A 0.0000
192 V A 0.0000
193 T A -0.2013
194 V A 0.0000
195 P A -0.5772
196 S A 0.0000
197 S A -0.8145
198 S A -0.6516
199 L A -0.7372
200 G A -0.8856
201 T A -0.7766
202 Q A -1.1142
203 T A -0.9698
204 Y A 0.0000
205 I A -0.8423
206 C A 0.0000
207 N A 0.0000
208 V A 0.0000
209 N A -1.9426
210 H A 0.0000
211 K A -2.7931
212 P A -1.6580
213 S A -1.8193
214 N A -2.4735
215 T A -1.9622
216 K A -2.4713
217 V A -1.2797
218 D A -2.3816
219 K A -1.8705
220 R A -2.2177
221 V A 0.0000
222 E A -1.2567
223 P A -0.7531
224 K A -0.7206
225 S A -1.0500
226 C A -1.5664
227 D A -2.7180
228 K A -2.7689
229 T A -1.4482
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Laboratory of Theory of Biopolymers 2018