Chain sequence(s) |
A: QMQLQESGPGLVKPSGTLSLTCAVSGASISTTNWWSWVRQPPGKGLEWIGEIYRTGNTNYNPALQSRVTISLDKSKNQFSLNLTSVTAADTAVYYCAREASWGGDSIAVVAATLRIGYFDSWGQGTLVTVSS
B: EIVLTQSPVTLSLSPGERAALSCRASQSISTSLAWYQQKPGQAPRLLIHDASKRATGIPARFSGSGSGTDFTLTISSLEPEDFAFYYCQHRSNWPPTWTFGQGTKVEIK input PDB |
Selected Chain(s) | A,B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
pH calculations | No |
alphaCutter usage | No |
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 minimization (00:00:00) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:01:49) [INFO] Main: Simulation completed successfully. (00:01:50) |
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan4D score | mutation |
---|---|---|---|---|
1 | Q | A | -1.4750 | |
2 | M | A | -1.0392 | |
3 | Q | A | -1.4970 | |
4 | L | A | 0.0000 | |
5 | Q | A | -1.5038 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.4690 | |
8 | G | A | -0.2118 | |
9 | P | A | 0.1063 | |
10 | G | A | 0.7382 | |
11 | L | A | 1.0885 | |
12 | V | A | 0.0000 | |
13 | K | A | -1.6435 | |
14 | P | A | -1.0670 | |
15 | S | A | -0.8718 | |
16 | G | A | -0.9048 | |
17 | T | A | -0.7249 | |
18 | L | A | 0.0000 | |
19 | S | A | -0.5424 | |
20 | L | A | 0.0000 | |
21 | T | A | -0.5018 | |
22 | C | A | 0.0000 | |
23 | A | A | -0.9785 | |
24 | V | A | 0.0000 | |
25 | S | A | -1.0574 | |
26 | G | A | -1.0743 | |
27 | A | A | -0.6428 | |
28 | S | A | -0.8244 | |
29 | I | A | 0.0000 | |
30 | S | A | -0.7487 | |
31 | T | A | -0.3487 | |
32 | T | A | -0.1662 | |
33 | N | A | 0.0000 | |
34 | W | A | 0.0000 | |
35 | W | A | 0.0000 | |
36 | S | A | 0.0000 | |
37 | W | A | 0.0000 | |
38 | V | A | 0.0000 | |
39 | R | A | 0.0000 | |
40 | Q | A | -0.6227 | |
41 | P | A | -0.7358 | |
42 | P | A | -0.8352 | |
43 | G | A | -1.5087 | |
44 | K | A | -2.3831 | |
45 | G | A | -1.5428 | |
46 | L | A | 0.0000 | |
47 | E | A | -0.9189 | |
48 | W | A | 0.0000 | |
49 | I | A | 0.0000 | |
50 | G | A | 0.0000 | |
51 | E | A | 0.0000 | |
52 | I | A | 0.0000 | |
53 | Y | A | 0.0000 | |
54 | R | A | -1.2180 | |
55 | T | A | -0.7924 | |
56 | G | A | -1.0121 | |
57 | N | A | -1.1276 | |
58 | T | A | -0.6382 | |
59 | N | A | -0.6080 | |
60 | Y | A | -0.4833 | |
61 | N | A | -0.6523 | |
62 | P | A | -0.7595 | |
63 | A | A | -0.4774 | |
64 | L | A | 0.0000 | |
65 | Q | A | -1.4879 | |
66 | S | A | -1.0222 | |
67 | R | A | -1.0179 | |
68 | V | A | 0.0000 | |
69 | T | A | -0.6062 | |
70 | I | A | 0.0000 | |
71 | S | A | -0.6709 | |
72 | L | A | -1.1277 | |
73 | D | A | -1.9997 | |
74 | K | A | -2.7714 | |
75 | S | A | -2.0799 | |
76 | K | A | -2.6505 | |
77 | N | A | -2.0532 | |
78 | Q | A | -1.5743 | |
79 | F | A | 0.0000 | |
80 | S | A | -0.3313 | |
81 | L | A | 0.0000 | |
82 | N | A | -0.7232 | |
83 | L | A | 0.0000 | |
84 | T | A | -0.5631 | |
85 | S | A | -0.7088 | |
86 | V | A | 0.0000 | |
87 | T | A | -0.4726 | |
88 | A | A | -0.2584 | |
89 | A | A | 0.0408 | |
90 | D | A | 0.0000 | |
91 | T | A | 0.4292 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.6887 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | R | A | -0.4905 | |
99 | E | A | 0.0000 | |
100 | A | A | 0.0000 | |
101 | S | A | 0.3747 | |
102 | W | A | 1.1417 | |
103 | G | A | 0.2757 | |
104 | G | A | -0.2745 | |
105 | D | A | -0.5970 | |
106 | S | A | 0.0099 | |
107 | I | A | 0.9812 | |
108 | A | A | 0.0000 | |
109 | V | A | 0.8318 | |
110 | V | A | 1.7898 | |
111 | A | A | 1.2656 | |
112 | A | A | 1.1317 | |
113 | T | A | 1.3915 | |
114 | L | A | 1.7488 | |
115 | R | A | 1.1064 | |
116 | I | A | 0.6360 | |
117 | G | A | -0.0086 | |
118 | Y | A | -0.2434 | |
119 | F | A | 0.0000 | |
120 | D | A | -0.8149 | |
121 | S | A | -0.7403 | |
122 | W | A | -0.8231 | |
123 | G | A | 0.0000 | |
124 | Q | A | -1.7936 | |
125 | G | A | 0.0000 | |
126 | T | A | 0.2859 | |
127 | L | A | 1.6811 | |
128 | V | A | 0.0000 | |
129 | T | A | 0.5492 | |
130 | V | A | 0.0000 | |
131 | S | A | -0.4625 | |
132 | S | A | -0.6541 | |
1 | E | B | -1.3708 | |
2 | I | B | -0.1756 | |
3 | V | B | 0.7614 | |
4 | L | B | 0.0000 | |
5 | T | B | -0.5036 | |
6 | Q | B | 0.0000 | |
7 | S | B | -0.1399 | |
8 | P | B | 0.5572 | |
9 | V | B | 1.3643 | |
10 | T | B | 0.5382 | |
11 | L | B | 0.3774 | |
12 | S | B | -0.1768 | |
13 | L | B | -0.4654 | |
14 | S | B | -0.8133 | |
15 | P | B | -1.3420 | |
16 | G | B | -1.6947 | |
17 | E | B | -2.1436 | |
18 | R | B | -2.4438 | |
19 | A | B | 0.0000 | |
20 | A | B | -0.5024 | |
21 | L | B | 0.0000 | |
22 | S | B | -0.7247 | |
23 | C | B | 0.0000 | |
24 | R | B | -2.3996 | |
25 | A | B | 0.0000 | |
26 | S | B | -1.0051 | |
27 | Q | B | -1.7115 | |
28 | S | B | -1.3598 | |
29 | I | B | 0.0000 | |
30 | S | B | -0.8804 | |
31 | T | B | -0.9127 | |
32 | S | B | -0.4728 | |
33 | L | B | 0.0000 | |
34 | A | B | 0.0000 | |
35 | W | B | 0.0000 | |
36 | Y | B | 0.0000 | |
37 | Q | B | 0.0000 | |
38 | Q | B | 0.0000 | |
39 | K | B | -1.6584 | |
40 | P | B | -1.1919 | |
41 | G | B | -1.4876 | |
42 | Q | B | -2.1711 | |
43 | A | B | -1.4461 | |
44 | P | B | 0.0000 | |
45 | R | B | -1.3695 | |
46 | L | B | 0.0000 | |
47 | L | B | 0.0000 | |
48 | I | B | 0.0000 | |
49 | H | B | -1.4495 | |
50 | D | B | -1.8320 | |
51 | A | B | 0.0000 | |
52 | S | B | -1.7429 | |
53 | K | B | -2.4974 | |
54 | R | B | -1.7419 | |
55 | A | B | 0.0000 | |
56 | T | B | -0.6511 | |
57 | G | B | -0.5040 | |
58 | I | B | -0.3868 | |
59 | P | B | -0.2970 | |
60 | A | B | -0.2721 | |
61 | R | B | -0.7216 | |
62 | F | B | 0.0000 | |
63 | S | B | -0.7162 | |
64 | G | B | -0.9696 | |
65 | S | B | -1.0478 | |
66 | G | B | -1.2717 | |
67 | S | B | -1.2670 | |
68 | G | B | -1.2962 | |
69 | T | B | -1.8705 | |
70 | D | B | -2.3713 | |
71 | F | B | 0.0000 | |
72 | T | B | -0.8069 | |
73 | L | B | 0.0000 | |
74 | T | B | -0.5452 | |
75 | I | B | 0.0000 | |
76 | S | B | -1.2831 | |
77 | S | B | -1.6506 | |
78 | L | B | 0.0000 | |
79 | E | B | -1.9288 | |
80 | P | B | -1.4322 | |
81 | E | B | -2.2793 | |
82 | D | B | 0.0000 | |
83 | F | B | -0.4167 | |
84 | A | B | 0.0000 | |
85 | F | B | 0.0770 | |
86 | Y | B | 0.0000 | |
87 | Y | B | 0.0000 | |
88 | C | B | 0.0000 | |
89 | Q | B | 0.0000 | |
90 | H | B | 0.0000 | |
91 | R | B | 0.0000 | |
92 | S | B | 0.0238 | |
93 | N | B | 0.6624 | |
94 | W | B | 1.0131 | |
95 | P | B | 0.1286 | |
96 | P | B | 0.0000 | |
97 | T | B | -0.2401 | |
98 | W | B | 0.0000 | |
99 | T | B | 0.0073 | |
100 | F | B | 0.0605 | |
101 | G | B | 0.0000 | |
102 | Q | B | -1.0090 | |
103 | G | B | -0.5272 | |
104 | T | B | 0.0000 | |
105 | K | B | -0.0584 | |
106 | V | B | 0.0000 | |
107 | E | B | 0.0123 | |
108 | I | B | 0.8725 | |
109 | K | B | -0.8364 |