Project name: AL55

Status: done

Started: 2026-05-19 15:51:31
Settings
Chain sequence(s) A: NFMLTQPHSVSESPGKTLTISCTGSSASIASHYVQWYQQRPGGAPTTLIYENDQRPSEVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDGNNHWVFGGGTKLTVLSQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTEC
C: NFMLTQPHSVSESPGKTLTISCTGSSASIASHYVQWYQQRPGGAPTTLIYENDQRPSEVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDGNNHWVFGGGTKLTVLSQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTEC
B: NFMLTQPHSSVSESPGKTLTISCTGSSASIASHYVQWYQQRPGGAPTTLIYENDQRPSEVPDRFSGSIDSSSNSASLTISGLKTEDEADYYCQSYDGNNHWVFGGGTKLTVLSQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSSKQSNNKYAASSYLSLTPEQWKSHKSYSCQVTHEGSTVEKTVAPTEC
input PDB
Selected Chain(s) A,B,C
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:09)
Show buried residues

Minimal score value
-3.2987
Maximal score value
1.9586
Average score
-0.7882
Total score value
-510.732

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 N A -1.2593
2 F A 0.0000
3 M A 0.6042
4 L A 0.0000
5 T A -0.1593
6 Q A -0.6390
7 P A -0.7815
8 H A -1.2543
9 S A -0.8625
10 V A -0.4464
11 S A -0.6845
12 E A -0.9571
13 S A -1.1064
14 P A -1.6216
15 G A -1.8193
16 K A -2.3407
17 T A -1.2629
18 L A 0.0000
19 T A -0.1378
20 I A 0.0000
21 S A -0.2796
22 C A 0.0000
23 T A -0.3053
24 G A -0.1499
25 S A -0.2408
26 S A -0.5688
27 A A -0.5377
28 S A -0.5488
29 I A 0.0000
30 A A -0.1742
31 S A -0.2349
32 H A -0.2249
33 Y A 0.5705
34 V A 0.0000
35 Q A 0.0000
36 W A 0.0000
37 Y A -0.0334
38 Q A -0.7147
39 Q A -1.3790
40 R A -2.2986
41 P A -1.6858
42 G A -1.3262
43 G A -1.1800
44 A A -0.6567
45 P A -0.7257
46 T A -0.3503
47 T A -0.1729
48 L A 0.0000
49 I A 0.0000
50 Y A -0.5504
51 E A -1.1401
52 N A -1.2876
53 D A -2.4443
54 Q A -2.1886
55 R A -2.0271
56 P A -1.3923
57 S A -1.5466
58 E A -2.1802
59 V A -1.4760
60 P A -1.6665
61 D A -2.3824
62 R A -1.3703
63 F A 0.0000
64 S A -1.4037
65 G A -1.2081
66 S A -1.0955
67 I A -0.5289
68 D A -1.2657
69 S A -0.9656
70 S A -0.7920
71 S A -0.7883
72 N A -0.8505
73 S A 0.0000
74 A A 0.0000
75 S A -0.5195
76 L A 0.0000
77 T A -0.2404
78 I A 0.0000
79 S A -1.3722
80 G A -1.6129
81 L A 0.0000
82 K A -2.3033
83 T A -1.8499
84 E A -2.7252
85 D A 0.0000
86 E A -2.3178
87 A A 0.0000
88 D A -1.4022
89 Y A 0.0000
90 Y A 0.0000
91 C A 0.0000
92 Q A 0.0000
93 S A 0.0000
94 Y A -0.3836
95 D A -1.4238
96 G A -2.0309
97 N A -2.1963
98 N A -1.8589
99 H A -1.3866
100 W A -0.3066
101 V A 0.0000
102 F A 0.4637
103 G A 0.0000
104 G A -0.6145
105 G A 0.0000
106 T A 0.0000
107 K A -1.0829
108 L A 0.0000
109 T A 0.0000
110 V A 0.0000
111 L A -0.5805
112 S A -0.5714
113 Q A -1.0125
114 P A -1.2012
115 K A -1.9842
116 A A -1.1386
117 A A -0.7962
118 P A 0.0000
119 S A -0.3573
120 V A 0.0000
121 T A -0.6977
122 L A 0.0000
123 F A 0.0000
124 P A -0.1530
125 P A 0.0000
126 S A -0.9448
127 S A -1.5539
128 E A -2.4777
129 E A 0.0000
130 L A -1.6443
131 Q A -2.2632
132 A A -1.7839
133 N A -2.4023
134 K A -2.0904
135 A A 0.0000
136 T A 0.0000
137 L A 0.0000
138 V A 0.0000
139 C A 0.0000
140 L A 0.0000
141 I A 0.0000
142 S A 0.0000
143 D A -1.6845
144 F A 0.0000
145 Y A 0.0000
146 P A 0.0000
147 G A -0.7125
148 A A -0.4915
149 V A -0.2359
150 T A -0.2137
151 V A 0.0132
152 A A -0.5751
153 W A 0.0000
154 K A -1.3237
155 A A 0.0000
156 D A -1.6708
157 S A -1.0974
158 S A -0.7300
159 P A -0.9308
160 V A -0.8460
161 K A -1.6452
162 A A -0.8179
163 G A -0.6631
164 V A -0.4451
165 E A -0.6226
166 T A -0.0949
167 T A 0.0000
168 T A -0.3694
169 P A -0.4138
170 S A -1.0523
171 K A -2.4908
172 Q A 0.0000
173 S A -1.5607
174 N A -2.1879
175 N A -2.5468
176 K A -2.2454
177 Y A -1.4916
178 A A 0.0000
179 A A 0.0000
180 S A 0.0000
181 S A 0.0000
182 Y A 0.0613
183 L A 0.0000
184 S A -0.3209
185 L A -0.7546
186 T A -1.5636
187 P A -2.2423
188 E A -3.1471
189 Q A -2.5906
190 W A 0.0000
191 K A -3.1488
192 S A -2.5118
193 H A -2.5057
194 K A -2.5838
195 S A -1.5801
196 Y A 0.0000
197 S A -1.1890
198 C A 0.0000
199 Q A -1.2530
200 V A 0.0000
201 T A -0.7315
202 H A 0.0000
203 E A -2.0201
204 G A -1.4027
205 S A -0.7696
206 T A -0.7407
207 V A -0.7703
208 E A -2.2132
209 K A -1.9288
210 T A -1.2865
211 V A 0.0000
212 A A -1.1311
213 P A -1.2428
214 T A -0.8868
215 E A -1.4184
216 C A -0.2465
1 N B -1.1630
2 F B 0.0000
3 M B 0.8898
4 L B 0.0000
5 T B 0.0982
6 Q B -0.3233
7 P B -0.5570
8 H B -0.6429
9 S B 0.0000
10 V B -0.2277
11 S B -0.3756
12 E B -1.1072
13 S B -1.2571
14 P B -1.3710
15 G B -1.7960
16 K B -2.2488
17 T B -1.2601
18 L B -0.4618
19 T B -0.0585
20 I B 0.0000
21 S B -0.2729
22 C B 0.0000
23 T B -0.2574
24 G B 0.0100
25 S B -0.1811
26 S B -0.4457
27 A B -0.4226
28 S B -0.4566
29 I B 0.0000
30 A B -0.1482
31 S B -0.1522
32 H B -0.1932
33 Y B 0.5540
34 V B 0.0000
35 Q B 0.0000
36 W B 0.0000
37 Y B 0.0398
38 Q B 0.0000
39 Q B -0.8837
40 R B -0.9821
41 P B -0.8313
42 G B -1.0887
43 G B -0.7423
44 A B -0.4148
45 P B -0.5305
46 T B -0.2210
47 T B -0.2040
48 L B 0.0000
49 I B 0.0000
50 Y B -0.7440
51 E B -1.3963
52 N B -1.4697
53 D B -2.6221
54 Q B -2.4366
55 R B -2.4102
56 P B -1.5561
57 S B -1.6547
58 E B -2.2296
59 V B -1.5456
60 P B -1.6511
61 D B -2.4018
62 R B -1.4298
63 F B 0.0000
64 S B -1.4839
65 G B -1.2530
66 S B -1.0565
67 I B -0.4970
68 D B -1.3120
69 S B -0.9553
70 S B -0.8069
71 S B -0.7883
72 N B -0.8303
73 S B 0.0000
74 A B 0.0000
75 S B -0.5245
76 L B 0.0000
77 T B -0.2350
78 I B 0.0000
79 S B -1.2467
80 G B -1.4146
81 L B 0.0000
82 K B -1.9659
83 T B -1.2872
84 E B -1.3509
85 D B 0.0000
86 E B 0.0000
87 A B 0.0000
88 D B -0.9510
89 Y B 0.0000
90 Y B 0.1596
91 C B 0.0000
92 Q B 0.0000
93 S B 0.0000
94 Y B 0.0109
95 D B -1.3585
96 G B -1.8378
97 N B -2.2817
98 N B -2.2250
99 H B -1.2737
100 W B 0.7151
101 V B 1.1870
102 F B 1.9586
103 G B 0.7067
104 G B -0.0687
105 G B -0.3604
106 T B 0.0000
107 K B -0.8168
108 L B 0.0000
109 T B 0.0000
110 V B 0.0000
111 L B -0.5308
112 S B -0.6856
113 Q B -1.0355
114 P B -1.2323
115 K B -1.8345
116 A B -1.0542
117 A B -0.4846
118 P B 0.0000
119 S B -0.4522
120 V B 0.0000
121 T B -0.5963
122 L B 0.0000
123 F B 0.0000
124 P B -0.0415
125 P B -0.4966
126 S B -0.9039
127 S B -1.6835
128 E B -2.6795
129 E B 0.0000
130 L B -1.7189
131 Q B -2.3690
132 A B -1.9922
133 N B -2.7562
134 K B -2.8785
135 A B 0.0000
136 T B 0.0000
137 L B 0.0000
138 V B 0.0000
139 C B 0.0000
140 L B 0.0000
141 I B 0.0000
142 S B 0.0000
143 D B -1.2122
144 F B 0.0000
145 Y B -0.8963
146 P B 0.0000
147 G B -0.5104
148 A B -0.0519
149 V B 0.0994
150 T B 0.0376
151 V B 0.0346
152 A B -0.4830
153 W B 0.0000
154 K B -1.2542
155 A B 0.0000
156 D B -2.2704
157 S B -1.3823
158 S B -1.0653
159 P B -1.0189
160 V B -0.9548
161 K B -1.6739
162 A B -0.7987
163 G B -0.6084
164 V B -0.4568
165 E B -0.7907
166 T B -0.3667
167 T B 0.0000
168 T B -0.3815
169 P B -0.2205
170 S B 0.0000
171 K B -1.4477
172 Q B 0.0000
173 S B -1.3936
174 N B -1.9137
175 N B -1.8100
176 K B -1.6865
177 Y B -0.7348
178 A B 0.0000
179 A B 0.0000
180 S B 0.0000
181 S B 0.0000
182 Y B 0.0000
183 L B 0.0000
184 S B -0.5498
185 L B -0.8154
186 T B -1.7996
187 P B -2.4481
188 E B -3.1860
189 Q B -2.4721
190 W B 0.0000
191 K B -3.2987
192 S B -2.5087
193 H B -2.5624
194 K B -2.7212
195 S B -1.7722
196 Y B 0.0000
197 S B 0.0000
198 C B 0.0000
199 Q B -0.9926
200 V B 0.0000
201 T B -0.3385
202 H B 0.0000
203 E B -0.5192
204 G B -0.6631
205 S B -0.3512
206 T B -0.4510
207 V B -0.6124
208 E B -1.7918
209 K B -1.4868
210 T B -1.1413
211 V B -0.6699
212 A B -1.1058
213 P B -1.3374
214 T B -1.1764
215 E B -1.6328
216 C B -0.2449
1 N C -1.5288
2 F C 0.0000
3 M C 0.6893
4 L C 0.0000
5 T C -0.1139
6 Q C 0.0000
7 P C -0.7788
8 H C -1.4625
9 S C -0.7454
10 V C -0.3501
11 S C -0.4933
12 E C -1.1106
13 S C -1.0117
14 P C -1.2799
15 G C -1.5989
16 K C -1.8569
17 T C -0.9643
18 L C -0.4143
19 T C -0.0842
20 I C 0.0000
21 S C -0.2640
22 C C 0.0000
23 T C -0.2376
24 G C 0.0347
25 S C -0.1930
26 S C -0.7197
27 A C -0.5838
28 S C -0.3715
29 I C 0.0000
30 A C 0.0000
31 S C -0.4128
32 H C -0.7100
33 Y C -0.5580
34 V C 0.0000
35 Q C 0.0000
36 W C 0.0000
37 Y C 0.0051
38 Q C 0.0000
39 Q C -1.2104
40 R C -2.1895
41 P C -1.5459
42 G C -1.1766
43 G C -1.0432
44 A C -0.6200
45 P C -0.6882
46 T C -0.3323
47 T C -0.0208
48 L C 0.0000
49 I C 0.0000
50 Y C -0.6970
51 E C -1.3913
52 N C -1.5309
53 D C -2.5004
54 Q C -2.1348
55 R C -2.2435
56 P C -1.3958
57 S C -1.6766
58 E C -2.3210
59 V C 0.0000
60 P C -1.7510
61 D C -2.4527
62 R C -1.4605
63 F C 0.0000
64 S C -1.3943
65 G C -1.1976
66 S C -1.0540
67 I C -0.8344
68 D C -1.2160
69 S C -1.0304
70 S C -0.7376
71 S C -0.6957
72 N C -0.7447
73 S C 0.0000
74 A C 0.0000
75 S C -0.5155
76 L C 0.0000
77 T C -0.2203
78 I C 0.0000
79 S C -1.1682
80 G C -1.2717
81 L C 0.0000
82 K C -2.3497
83 T C -1.7873
84 E C -2.6447
85 D C 0.0000
86 E C -1.8779
87 A C 0.0000
88 D C -1.1711
89 Y C 0.0000
90 Y C 0.0000
91 C C 0.0000
92 Q C 0.0000
93 S C 0.0000
94 Y C -0.6620
95 D C -1.4876
96 G C -1.9015
97 N C -2.3932
98 N C -2.2202
99 H C -1.5072
100 W C -0.2908
101 V C 0.0000
102 F C 0.5696
103 G C 0.0000
104 G C -0.6013
105 G C 0.0000
106 T C 0.0000
107 K C -1.0210
108 L C 0.0000
109 T C 0.0000
110 V C 0.0000
111 L C -0.6879
112 S C -0.6507
113 Q C -0.9540
114 P C -1.1266
115 K C -1.8785
116 A C -1.0430
117 A C -0.5545
118 P C 0.0000
119 S C -0.1881
120 V C 0.0000
121 T C 0.1469
122 L C 0.0000
123 F C 1.0824
124 P C 0.3671
125 P C 0.0000
126 S C -1.1112
127 S C -1.8732
128 E C -2.7577
129 E C -2.3558
130 L C -2.0094
131 Q C -2.5211
132 A C -2.1006
133 N C -2.8677
134 K C -3.0018
135 A C 0.0000
136 T C -0.1581
137 L C 0.0000
138 V C 1.0162
139 C C 0.0000
140 L C 0.9368
141 I C 0.0000
142 S C -0.5212
143 D C -1.4590
144 F C 0.0000
145 Y C 0.0000
146 P C 0.0000
147 G C -0.7445
148 A C -0.5240
149 V C 0.0000
150 T C -0.3347
151 V C -0.0004
152 A C -0.3126
153 W C 0.0000
154 K C -1.0978
155 A C -1.2838
156 D C -1.5334
157 S C -1.0200
158 S C -0.8470
159 P C -0.9200
160 V C -0.8378
161 K C -1.7547
162 A C -0.9088
163 G C -0.7158
164 V C -0.5885
165 E C -1.4785
166 T C -0.7358
167 T C -0.6994
168 T C -1.0185
169 P C -0.7892
170 S C -1.2596
171 K C -2.5706
172 Q C -2.0856
173 S C -1.5730
174 N C -2.1549
175 N C -2.2592
176 K C -2.2050
177 Y C -1.4884
178 A C -0.8010
179 A C 0.0000
180 S C 0.2038
181 S C 0.0000
182 Y C 0.5004
183 L C 0.0000
184 S C -0.4337
185 L C -0.7569
186 T C -1.8051
187 P C -2.5098
188 E C -3.2078
189 Q C -2.3704
190 W C 0.0000
191 K C -3.0770
192 S C -2.4274
193 H C -2.4065
194 K C -2.4214
195 S C -1.4930
196 Y C 0.0000
197 S C 0.0000
198 C C 0.0000
199 Q C -0.7549
200 V C 0.0000
201 T C -0.3582
202 H C 0.0000
203 E C -1.0152
204 G C -0.8296
205 S C -0.4865
206 T C -0.3439
207 V C -0.2682
208 E C -1.1791
209 K C -1.1654
210 T C -0.6748
211 V C -0.1954
212 A C -0.8097
213 P C -1.2456
214 T C -1.1853
215 E C -1.5325
216 C C -0.2027
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Laboratory of Theory of Biopolymers 2018