Project name: A65V [mutate: AV65A, AV65C, AV65B, AV65D]

Status: done

Started: 2026-07-09 16:30:39
Settings
Chain sequence(s) A: MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
C: MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
B: MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
D: MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
input PDB
Selected Chain(s) A,B,C,D
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues AV65D,AV65A,AV65C,AV65B
Energy difference between WT (input) and mutated protein (by FoldX) 6.22783 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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]       FoldX:    Building mutant model                                                       (00:08:31)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:08:41)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:55)
Show buried residues

Minimal score value
-3.1599
Maximal score value
3.7447
Average score
-0.5067
Total score value
-297.9254

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 0.8968
2 A A -0.0649
3 S A -0.7087
4 H A -1.1707
5 R A -1.0007
6 L A 1.7605
7 L A 2.9199
8 L A 3.6380
9 L A 3.7391
10 C A 2.7876
11 L A 2.6508
12 A A 1.6546
13 G A 1.6238
14 L A 3.0778
15 V A 3.4804
16 F A 3.1805
17 V A 1.7090
18 S A -0.0380
19 E A -1.7409
20 A A -1.3595
21 G A -1.3743
22 P A -1.4973
23 T A -0.7003
24 G A -1.0453
25 T A -1.5958
26 G A -2.0859
27 E A -2.6413
28 S A -2.0358
29 K A -2.5601
30 C A 0.0000
31 P A 0.0000
32 L A 0.0000
33 M A -0.2864
34 V A 0.0000
35 K A -0.2527
36 V A 0.0000
37 L A 0.1712
38 D A 0.0000
39 A A 0.0000
40 V A -0.0182
41 R A -0.7881
42 G A 0.0000
43 S A -0.1760
44 P A -0.4551
45 A A 0.0000
46 I A -0.7395
47 N A -1.6967
48 V A 0.0000
49 A A -0.9514
50 V A 0.0000
51 H A -0.5632
52 V A 0.0000
53 F A -0.6286
54 R A -1.2337
55 K A -1.5885
56 A A -1.7563
57 A A -1.5043
58 D A -2.6395
59 D A -2.8975
60 T A -1.9153
61 W A -1.4014
62 E A -2.0555
63 P A -0.4032
64 F A -0.2078
65 V A 0.0000 mutated: AV65A
66 S A -0.8468
67 G A -1.4577
68 K A -1.9141
69 T A 0.0000
70 S A -1.6200
71 E A -2.0500
72 S A -1.1378
73 G A 0.0000
74 E A -0.9800
75 L A 0.0000
76 H A 0.0000
77 G A -0.9336
78 L A 0.0000
79 T A -1.2429
80 T A -1.9767
81 E A -3.0460
82 E A -3.0266
83 E A -2.5582
84 F A 0.0000
85 V A -1.4274
86 E A -2.2444
87 G A -1.0890
88 I A -0.5637
89 Y A 0.0000
90 K A -0.5412
91 V A 0.0000
92 E A -0.6172
93 I A 0.0000
94 D A -1.1417
95 T A 0.0000
96 K A -1.5110
97 S A -1.2776
98 Y A 0.0000
99 W A 0.0000
100 K A -1.6784
101 A A -0.5848
102 L A 0.1549
103 G A -0.4830
104 I A -0.1683
105 S A -0.6507
106 P A -0.7144
107 F A 0.0000
108 H A 0.0000
109 E A -0.8054
110 H A -0.8035
111 A A 0.0000
112 E A 0.0000
113 V A 0.0000
114 V A 0.0000
115 F A 0.0000
116 T A -0.8989
117 A A 0.0000
118 N A -1.8414
119 D A -2.5260
120 S A -1.5760
121 G A -1.3228
122 P A -1.9462
123 R A -1.5603
124 R A -1.0969
125 Y A 0.0000
126 T A -0.0187
127 I A 0.0000
128 A A -0.0296
129 A A 0.0000
130 L A 0.2377
131 L A 0.0000
132 S A 0.0000
133 P A 0.0000
134 Y A 0.0894
135 S A 0.0000
136 Y A 0.0000
137 S A 0.0736
138 T A 0.0000
139 T A 0.0000
140 A A 0.0000
141 V A 0.2237
142 V A 0.0075
143 T A -0.8567
144 N A -1.7817
145 P A -2.2694
146 K A -2.8800
147 E A -2.8357
1 M B 0.8954
2 A B -0.0716
3 S B -0.7095
4 H B -1.1719
5 R B -0.9901
6 L B 1.7650
7 L B 2.9112
8 L B 3.6405
9 L B 3.7447
10 C B 2.7926
11 L B 2.6590
12 A B 1.6644
13 G B 1.6232
14 L B 3.0849
15 V B 3.4951
16 F B 3.2060
17 V B 1.7597
18 S B -0.0196
19 E B -1.7500
20 A B -1.3858
21 G B -1.4082
22 P B -1.5433
23 T B -0.6966
24 G B -1.0436
25 T B -1.5929
26 G B -2.0845
27 E B -2.6426
28 S B -2.0495
29 K B -2.5637
30 C B 0.0000
31 P B 0.0000
32 L B 0.0000
33 M B 0.0000
34 V B 0.0000
35 K B -0.2796
36 V B 0.0000
37 L B 0.1696
38 D B 0.0000
39 A B 0.0000
40 V B -0.0114
41 R B -0.7832
42 G B 0.0000
43 S B -0.1886
44 P B -0.4800
45 A B 0.0000
46 I B -0.8828
47 N B -1.8556
48 V B 0.0000
49 A B -1.1141
50 V B 0.0000
51 H B -0.6401
52 V B 0.0000
53 F B -0.6738
54 R B -1.2809
55 K B -1.5986
56 A B -1.7668
57 A B -1.5034
58 D B -2.6400
59 D B -2.8995
60 T B -1.9318
61 W B -1.4228
62 E B -2.0831
63 P B -0.4350
64 F B -0.2172
65 V B 0.0000 mutated: AV65B
66 S B -0.8995
67 G B -1.5187
68 K B -2.2071
69 T B 0.0000
70 S B -1.7134
71 E B -2.1092
72 S B -1.1578
73 G B 0.0000
74 E B -1.0547
75 L B 0.0000
76 H B 0.0000
77 G B -0.9527
78 L B 0.0000
79 T B 0.0000
80 T B -1.9343
81 E B -2.9338
82 E B -3.0015
83 E B -2.5928
84 F B 0.0000
85 V B -1.5102
86 E B -2.3001
87 G B -1.1114
88 I B -0.5638
89 Y B 0.0000
90 K B -0.5263
91 V B 0.0000
92 E B -0.6393
93 I B 0.0000
94 D B -1.3132
95 T B 0.0000
96 K B -1.5297
97 S B -1.3446
98 Y B 0.0000
99 W B 0.0000
100 K B -1.6854
101 A B -0.6001
102 L B 0.1319
103 G B -0.4936
104 I B -0.1593
105 S B -0.6038
106 P B -0.6900
107 F B 0.0000
108 H B 0.0000
109 E B -0.8290
110 H B -0.8487
111 A B 0.0000
112 E B 0.0000
113 V B 0.0000
114 V B 0.0000
115 F B 0.0000
116 T B -0.8728
117 A B 0.0000
118 N B -1.8728
119 D B -2.5418
120 S B -1.5740
121 G B -1.3628
122 P B -1.9866
123 R B -1.6360
124 R B -1.1730
125 Y B 0.0000
126 T B -0.0632
127 I B 0.0000
128 A B -0.0387
129 A B 0.0000
130 L B 0.2682
131 L B 0.0000
132 S B 0.0000
133 P B 0.0000
134 Y B 0.1131
135 S B 0.0000
136 Y B 0.0000
137 S B 0.0803
138 T B 0.0000
139 T B 0.0000
140 A B 0.0000
141 V B 0.1877
142 V B -0.0559
143 T B -0.9575
144 N B -1.9770
145 P B -2.3932
146 K B -2.9483
147 E B -2.8921
1 M C 0.8952
2 A C -0.0685
3 S C -0.7033
4 H C -1.1693
5 R C -0.9891
6 L C 1.7523
7 L C 2.9125
8 L C 3.6285
9 L C 3.7292
10 C C 2.7846
11 L C 2.6461
12 A C 1.6526
13 G C 1.6108
14 L C 3.0684
15 V C 3.4895
16 F C 3.2015
17 V C 1.7599
18 S C -0.0281
19 E C -1.7770
20 A C -1.4115
21 G C -1.4336
22 P C -1.5840
23 T C -0.7107
24 G C -1.0662
25 T C -1.6303
26 G C -2.1251
27 E C -2.6569
28 S C -2.0586
29 K C -2.5373
30 C C 0.0000
31 P C 0.0000
32 L C 0.0000
33 M C -0.3340
34 V C 0.0000
35 K C -0.4211
36 V C 0.0000
37 L C 0.1304
38 D C 0.0000
39 A C 0.0000
40 V C -0.0185
41 R C -0.7867
42 G C 0.0000
43 S C -0.1943
44 P C -0.5152
45 A C 0.0000
46 I C -0.9499
47 N C -1.9055
48 V C 0.0000
49 A C -1.1154
50 V C 0.0000
51 H C -0.6298
52 V C 0.0000
53 F C -0.7081
54 R C -1.3017
55 K C -1.6702
56 A C -1.8024
57 A C -1.5328
58 D C -2.6586
59 D C -2.9173
60 T C -1.9687
61 W C -1.4680
62 E C -2.1256
63 P C -0.4563
64 F C -0.2395
65 V C 0.0000 mutated: AV65C
66 S C -0.9299
67 G C -1.6582
68 K C -2.3455
69 T C 0.0000
70 S C -1.7876
71 E C -2.1409
72 S C -1.2012
73 G C 0.0000
74 E C -1.1435
75 L C 0.0000
76 H C 0.0000
77 G C -0.9347
78 L C 0.0000
79 T C -1.1755
80 T C -1.8384
81 E C -2.7903
82 E C -2.8879
83 E C -2.4473
84 F C 0.0000
85 V C -1.3725
86 E C -2.2206
87 G C -1.0389
88 I C -0.3887
89 Y C 0.0000
90 K C -0.4906
91 V C 0.0000
92 E C -0.6221
93 I C 0.0000
94 D C -1.1787
95 T C 0.0000
96 K C -1.2903
97 S C -1.1810
98 Y C 0.0000
99 W C 0.0000
100 K C -1.6138
101 A C -0.5571
102 L C 0.1394
103 G C -0.4865
104 I C -0.1265
105 S C -0.6012
106 P C -0.6475
107 F C 0.0000
108 H C 0.0000
109 E C -0.7441
110 H C -0.7982
111 A C 0.0000
112 E C 0.0000
113 V C 0.0000
114 V C 0.0000
115 F C 0.0000
116 T C -0.7418
117 A C 0.0000
118 N C -1.8423
119 D C -2.5115
120 S C -1.5808
121 G C -1.3407
122 P C -1.9300
123 R C -1.5847
124 R C -1.1442
125 Y C 0.0000
126 T C -0.0654
127 I C 0.0000
128 A C -0.0893
129 A C 0.0000
130 L C 0.2258
131 L C 0.0000
132 S C 0.0000
133 P C 0.0000
134 Y C 0.0879
135 S C 0.0000
136 Y C 0.0000
137 S C 0.0771
138 T C 0.0000
139 T C 0.0000
140 A C 0.0000
141 V C 0.1904
142 V C -0.0437
143 T C -0.9015
144 N C -1.8611
145 P C -2.2525
146 K C -2.8722
147 E C -2.8362
1 M D 0.8957
2 A D -0.0704
3 S D -0.7141
4 H D -1.1764
5 R D -0.9963
6 L D 1.7729
7 L D 2.9226
8 L D 3.6389
9 L D 3.7379
10 C D 2.7883
11 L D 2.6477
12 A D 1.6551
13 G D 1.6171
14 L D 3.0886
15 V D 3.5089
16 F D 3.2293
17 V D 1.7968
18 S D 0.0119
19 E D -1.7644
20 A D -1.4037
21 G D -1.4347
22 P D -1.5892
23 T D -0.7098
24 G D -1.2517
25 T D -1.6323
26 G D -2.1240
27 E D -2.6530
28 S D -2.0783
29 K D -2.5895
30 C D 0.0000
31 P D 0.0000
32 L D 0.0000
33 M D 0.0000
34 V D 0.0000
35 K D -0.4245
36 V D 0.0000
37 L D 0.1958
38 D D 0.0000
39 A D 0.0000
40 V D 0.0260
41 R D -0.6673
42 G D 0.0000
43 S D -0.1242
44 P D -0.4379
45 A D 0.0000
46 I D -0.7626
47 N D -1.8340
48 V D 0.0000
49 A D -1.1531
50 V D 0.0000
51 H D -0.7205
52 V D 0.0000
53 F D -0.7127
54 R D -1.2626
55 K D -1.6107
56 A D -1.7711
57 A D -1.5117
58 D D -2.6423
59 D D -2.8925
60 T D -1.9219
61 W D -1.3874
62 E D -2.0842
63 P D -0.4391
64 F D -0.2328
65 V D 0.0000 mutated: AV65D
66 S D -0.9570
67 G D -1.6088
68 K D -2.3458
69 T D 0.0000
70 S D -1.7364
71 E D -2.1320
72 S D -1.1694
73 G D 0.0000
74 E D -1.1436
75 L D 0.0000
76 H D 0.0000
77 G D -0.9540
78 L D 0.0000
79 T D -1.2788
80 T D -2.0294
81 E D -3.1599
82 E D -3.0675
83 E D -2.5772
84 F D 0.0000
85 V D -1.3695
86 E D -2.1414
87 G D -0.9906
88 I D -0.4362
89 Y D 0.0000
90 K D -0.5147
91 V D 0.0000
92 E D -0.6585
93 I D 0.0000
94 D D -1.1927
95 T D 0.0000
96 K D -1.2393
97 S D -1.2231
98 Y D 0.0000
99 W D 0.0000
100 K D -1.6428
101 A D -0.5747
102 L D 0.1478
103 G D -0.4842
104 I D -0.1314
105 S D -0.6100
106 P D -0.5819
107 F D 0.0000
108 H D 0.0000
109 E D 0.0000
110 H D -0.6219
111 A D 0.0000
112 E D 0.0000
113 V D 0.0000
114 V D 0.0000
115 F D 0.0000
116 T D -0.8066
117 A D 0.0000
118 N D 0.0000
119 D D -2.4294
120 S D -1.5177
121 G D -1.2364
122 P D -1.8504
123 R D -1.5304
124 R D -1.1496
125 Y D 0.0000
126 T D -0.1072
127 I D 0.0000
128 A D -0.1004
129 A D 0.0000
130 L D 0.2564
131 L D 0.0000
132 S D 0.0000
133 P D 0.0000
134 Y D 0.0910
135 S D 0.0000
136 Y D 0.0000
137 S D 0.0839
138 T D 0.0000
139 T D 0.0000
140 A D 0.0000
141 V D 0.1840
142 V D -0.0256
143 T D -0.8734
144 N D -1.8124
145 P D -2.2072
146 K D -2.8485
147 E D -2.8262
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Laboratory of Theory of Biopolymers 2018