Project name: PodJ3

Status: done

Started: 2026-03-25 13:26:09
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Chain sequence(s) A: MLGAVETANPATGVQEGLDSLAATLTQKMEAARLEMAAKLRESADGRFDRMERKLGEMAAHVQAAEQRSAQAIERMGREIVGVADAFNRRVHAAESRNASAIEQVGGEVARIAASVEHKLNRADSVQAQALEKLGGEIARITEKLAERIGSAERRNALAIDDVGEQVARVTERLNQRHERSA
C: MLGAVETANPATGVQEGLDSLAATLTQKMEAARLEMAAKLRESADGRFDRMERKLGEMAAHVQAAEQRSAQAIERMGREIVGVADAFNRRVHAAESRNASAIEQVGGEVARIAASVEHKLNRADSVQAQALEKLGGEIARITEKLAERIGSAERRNALAIDDVGEQVARVTERLNQRHERSA
B: MLGAVETANPATGVQEGLDSLAATLTQKMEAARLEMAAKLRESADGRFDRMERKLGEMAAHVQAAEQRSAQAIERMGREIVGVADAFNRRVHAAESRNASAIEQVGGEVARIAASVEHKLNRADSVQAQALEKLGGEIARITEKLAERIGSAERRNALAIDDVGEQVARVTERLNQRHERSA
input PDB
Selected Chain(s) A,B,C
Distance of aggregation 5 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:19:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:19:42)
Show buried residues

Minimal score value
-2.3257
Maximal score value
1.7149
Average score
-0.6307
Total score value
-344.3751

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 M A 1.3313
2 L A 1.6511
3 G A -0.1707
4 A A 0.3008
5 V A 1.4448
6 E A -1.5029
7 T A -0.3958
8 A A -0.1897
9 N A -1.2895
10 P A -0.3739
11 A A -0.0121
12 T A -0.1487
13 G A -0.4455
14 V A -0.1090
15 Q A -1.4601
16 E A -2.0463
17 G A -0.4224
18 L A 0.0000
19 D A -1.8278
20 S A -0.5359
21 L A 0.0000
22 A A 0.0189
23 A A 0.0482
24 T A -0.0550
25 L A 0.0000
26 T A -0.2317
27 Q A -1.3415
28 K A -0.9816
29 M A -0.1462
30 E A -0.6129
31 A A -0.0706
32 A A -0.0525
33 R A -0.2102
34 L A 0.9446
35 E A -1.2540
36 M A 0.0000
37 A A 0.0177
38 A A -0.2660
39 K A -1.6643
40 L A -0.2822
41 R A -1.0994
42 E A -1.9919
43 S A -0.4785
44 A A -0.1625
45 D A -0.8289
46 G A -0.4156
47 R A -0.4325
48 F A 0.0000
49 D A -2.1166
50 R A -2.1413
51 M A -0.5471
52 E A -2.1302
53 R A -2.3179
54 K A -1.1570
55 L A 0.0000
56 G A -0.6857
57 E A -1.8844
58 M A 0.0000
59 A A 0.0283
60 A A -0.1149
61 H A -0.9797
62 V A 0.0000
63 Q A -1.1949
64 A A -0.1956
65 A A -0.0209
66 E A -0.4080
67 Q A -1.5626
68 R A -2.0632
69 S A -0.3540
70 A A -0.1863
71 Q A -1.1902
72 A A -0.1594
73 I A -0.0779
74 E A -2.1082
75 R A -2.1723
76 M A 0.0000
77 G A -0.4171
78 R A -2.1870
79 E A -2.1888
80 I A 0.0000
81 V A 1.7082
82 G A -0.1854
83 V A 0.1580
84 A A -0.1396
85 D A -1.0363
86 A A -0.1433
87 F A 0.0000
88 N A -0.9261
89 R A -2.1392
90 R A -1.3736
91 V A 0.0000
92 H A -0.9795
93 A A -0.1206
94 A A 0.0000
95 E A -0.3277
96 S A -0.3985
97 R A -0.7830
98 N A 0.0000
99 A A 0.0049
100 S A -0.1244
101 A A 0.0296
102 I A -0.0966
103 E A -1.9947
104 Q A -1.4904
105 V A -0.2130
106 G A -0.1296
107 G A -0.4406
108 E A -1.7607
109 V A 0.0000
110 A A -0.2715
111 R A -1.7760
112 I A -0.0106
113 A A 0.0725
114 A A 0.0164
115 S A -0.0999
116 V A 0.0000
117 E A -1.5540
118 H A -1.3820
119 K A -0.9711
120 L A 0.0000
121 N A -1.6050
122 R A -2.0681
123 A A -0.6250
124 D A -1.8177
125 S A -0.3291
126 V A 0.9451
127 Q A 0.0684
128 A A -0.2154
129 Q A -1.1920
130 A A -0.1668
131 L A -0.1267
132 E A -2.0913
133 K A -1.9953
134 L A -0.1494
135 G A -0.1288
136 G A -0.3667
137 E A -1.4044
138 I A 0.0000
139 A A -0.2945
140 R A -1.7883
141 I A -0.0576
142 T A -0.2894
143 E A -2.1276
144 K A -2.0277
145 L A 0.0000
146 A A -0.3209
147 E A -2.0557
148 R A -1.6534
149 I A 0.0000
150 G A -0.1481
151 S A -0.0849
152 A A -0.1434
153 E A -1.1020
154 R A -2.3135
155 R A -2.1754
156 N A 0.0000
157 A A 0.2013
158 L A 1.0519
159 A A 0.2389
160 I A -0.1185
161 D A -2.0858
162 D A -2.1115
163 V A 0.0000
164 G A -0.5664
165 E A -1.6685
166 Q A -0.7424
167 V A 0.0000
168 A A -0.3850
169 R A -1.5521
170 V A 0.0000
171 T A -0.3325
172 E A -1.9548
173 R A -1.5728
174 L A 0.0000
175 N A -0.6304
176 Q A -0.9749
177 R A -1.2900
178 H A -1.2086
179 E A -2.2728
180 R A -2.2068
181 S A -0.5338
182 A A 0.0191
1 M B 1.3395
2 L B 1.6557
3 G B -0.1673
4 A B 0.3045
5 V B 1.4404
6 E B -1.4986
7 T B -0.4005
8 A B -0.1932
9 N B -1.2818
10 P B -0.3324
11 A B -0.0005
12 T B -0.2358
13 G B -0.4729
14 V B 0.0000
15 Q B -1.2657
16 E B -2.0048
17 G B -0.4245
18 L B 0.0000
19 D B -1.8269
20 S B -0.5014
21 L B 0.1385
22 A B -0.1296
23 A B 0.0477
24 T B -0.0564
25 L B 0.0000
26 T B -0.2355
27 Q B -1.3728
28 K B -1.1724
29 M B 0.0000
30 E B -0.5708
31 A B -0.0597
32 A B -0.0414
33 R B -0.1495
34 L B 0.9587
35 E B -1.4114
36 M B 0.0000
37 A B 0.0186
38 A B -0.2191
39 K B -1.4404
40 L B 0.0000
41 R B -2.0890
42 E B -2.1456
43 S B -0.3655
44 A B -0.0720
45 D B -0.4443
46 G B -0.4301
47 R B -0.8355
48 F B 0.0000
49 D B -2.0447
50 R B -2.1497
51 M B 0.0000
52 E B -0.7802
53 R B -2.0523
54 K B -1.0451
55 L B 0.0000
56 G B -0.5975
57 E B -1.8685
58 M B 0.0000
59 A B 0.0362
60 A B -0.0210
61 H B -0.4258
62 V B -0.1112
63 Q B -1.1609
64 A B -0.1974
65 A B -0.1876
66 E B -1.3002
67 Q B -1.7211
68 R B -2.0620
69 S B -0.3568
70 A B -0.1992
71 Q B -1.1927
72 A B -0.1667
73 I B -0.1044
74 E B -2.0673
75 R B -2.1635
76 M B 0.0000
77 G B -0.4555
78 R B -2.1926
79 E B -2.1862
80 I B 0.0000
81 V B 1.7097
82 G B -0.1766
83 V B 0.1552
84 A B -0.2036
85 D B -1.4408
86 A B -0.2142
87 F B 0.0000
88 N B -0.9591
89 R B -2.0935
90 R B -1.2249
91 V B 0.0000
92 H B -0.9796
93 A B -0.1186
94 A B -0.0590
95 E B -0.4558
96 S B -0.3980
97 R B -0.8494
98 N B 0.0000
99 A B -0.0223
100 S B -0.2079
101 A B 0.0160
102 I B -0.0881
103 E B -1.9922
104 Q B -1.4929
105 V B -0.0622
106 G B -0.1485
107 G B -0.3267
108 E B -1.2202
109 V B 0.0000
110 A B -0.2686
111 R B -1.7793
112 I B -0.0320
113 A B 0.0686
114 A B 0.0136
115 S B -0.1047
116 V B 0.0000
117 E B -1.7939
118 H B -1.3928
119 K B -0.7949
120 L B 0.0000
121 N B -1.4739
122 R B -1.3411
123 A B -0.5140
124 D B -1.8243
125 S B -0.2045
126 V B 1.7149
127 Q B 0.2103
128 A B -0.1994
129 Q B -1.1774
130 A B -0.1674
131 L B -0.1270
132 E B -2.0927
133 K B -1.9992
134 L B -0.1682
135 G B -0.1456
136 G B -0.4378
137 E B -1.7893
138 I B 0.0000
139 A B -0.2922
140 R B -1.7809
141 I B -0.0187
142 T B -0.2802
143 E B -2.1278
144 K B -2.0282
145 L B 0.0000
146 A B -0.3009
147 E B -2.0589
148 R B -1.6891
149 I B 0.0000
150 G B -0.2280
151 S B -0.1003
152 A B -0.0793
153 E B -0.7404
154 R B -2.2493
155 R B -2.1758
156 N B 0.0000
157 A B 0.2175
158 L B 1.0603
159 A B 0.2433
160 I B -0.1040
161 D B -2.0819
162 D B -2.1099
163 V B 0.0000
164 G B -0.5613
165 E B -1.5820
166 Q B -0.7356
167 V B 0.0000
168 A B -0.2117
169 R B -1.4433
170 V B 0.0000
171 T B -0.3487
172 E B -2.0090
173 R B -1.3649
174 L B 0.0000
175 N B -1.3207
176 Q B -1.1251
177 R B -0.7226
178 H B -1.3874
179 E B -2.3251
180 R B -2.2067
181 S B -0.5395
182 A B 0.0193
1 M C 1.3349
2 L C 1.6533
3 G C -0.1702
4 A C 0.3049
5 V C 1.4470
6 E C -1.5050
7 T C -0.4001
8 A C -0.1909
9 N C -1.2843
10 P C -0.3465
11 A C -0.0040
12 T C -0.1501
13 G C -0.4792
14 V C 0.0000
15 Q C -1.1623
16 E C -1.9898
17 G C -0.4393
18 L C 0.0000
19 D C -1.6755
20 S C -0.4800
21 L C 0.1284
22 A C -0.1164
23 A C 0.0494
24 T C -0.0483
25 L C 0.0000
26 T C -0.2382
27 Q C -1.4003
28 K C -1.3136
29 M C 0.0000
30 E C -0.5735
31 A C -0.0603
32 A C -0.0339
33 R C -0.0731
34 L C 1.0984
35 E C -1.3468
36 M C 0.0000
37 A C 0.0118
38 A C -0.2678
39 K C -1.6628
40 L C -0.2856
41 R C -1.1734
42 E C -1.9899
43 S C -0.3905
44 A C -0.2077
45 D C -1.1612
46 G C -0.4468
47 R C -0.2491
48 F C 0.0000
49 D C -1.6860
50 R C -2.0858
51 M C 0.0000
52 E C -2.1018
53 R C -2.3257
54 K C -1.2544
55 L C 0.0000
56 G C -0.5935
57 E C -1.8677
58 M C 0.0000
59 A C 0.0319
60 A C -0.0438
61 H C -0.5838
62 V C 0.0000
63 Q C -1.1878
64 A C -0.1563
65 A C -0.0909
66 E C -0.8145
67 Q C -1.6362
68 R C -2.0636
69 S C -0.3572
70 A C -0.1924
71 Q C -1.1906
72 A C -0.1575
73 I C -0.0815
74 E C -2.1093
75 R C -2.1723
76 M C 0.0000
77 G C -0.4541
78 R C -2.1376
79 E C -1.8771
80 I C 0.0000
81 V C 1.7079
82 G C -0.1541
83 V C 0.1403
84 A C -0.1251
85 D C -0.9932
86 A C -0.1262
87 F C 0.0000
88 N C -0.9338
89 R C -2.0117
90 R C -0.7555
91 V C 0.0000
92 H C -0.9844
93 A C -0.1466
94 A C -0.0380
95 E C -0.3014
96 S C -0.5257
97 R C -1.8702
98 N C 0.0000
99 A C -0.0260
100 S C -0.2080
101 A C 0.0177
102 I C -0.0916
103 E C -1.9941
104 Q C -1.4916
105 V C -0.1829
106 G C -0.1470
107 G C -0.3562
108 E C -1.3541
109 V C 0.0000
110 A C -0.2699
111 R C -1.7939
112 I C -0.1124
113 A C 0.0534
114 A C 0.0109
115 S C -0.1176
116 V C 0.0000
117 E C -1.6343
118 H C -1.4144
119 K C -1.0728
120 L C 0.0000
121 N C -1.6069
122 R C -2.0717
123 A C -0.4368
124 D C -0.7030
125 S C -0.1674
126 V C 0.8267
127 Q C -0.0064
128 A C -0.2025
129 Q C -1.1409
130 A C -0.1563
131 L C -0.1027
132 E C -2.0885
133 K C -2.0005
134 L C -0.1660
135 G C -0.1216
136 G C -0.4463
137 E C -1.8369
138 I C 0.0000
139 A C -0.3000
140 R C -1.7760
141 I C 0.0099
142 T C -0.2747
143 E C -2.1273
144 K C -2.0277
145 L C 0.0000
146 A C -0.3002
147 E C -1.9597
148 R C -1.1299
149 I C 0.0000
150 G C -0.1988
151 S C -0.2405
152 A C -0.0991
153 E C -0.7079
154 R C -2.0223
155 R C -0.9473
156 N C 0.0000
157 A C 0.2916
158 L C 1.4689
159 A C 0.3142
160 I C -0.1181
161 D C -2.0856
162 D C -2.1120
163 V C 0.0000
164 G C -0.5730
165 E C -1.7343
166 Q C -0.8165
167 V C 0.0000
168 A C -0.2248
169 R C -1.5130
170 V C 0.0000
171 T C -0.3429
172 E C -2.1091
173 R C -1.9342
174 L C 0.0000
175 N C -0.8793
176 Q C -1.1394
177 R C -0.7199
178 H C -0.9758
179 E C -2.2493
180 R C -2.2064
181 S C -0.5368
182 A C 0.0196
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Laboratory of Theory of Biopolymers 2018