Chain sequence(s) |
A: QVQLVQSGAEVKKPGASVKVSCKASGYIFNNYALHWVRQAPGQRPEWMAWIDAGNGDTRYSQKFQGRLTISRDTFANIGYMELASLRSDDTAVYFCARDLSDDDGDKRGFDYWGQGTLITVSS
B: DVELTQSPDSLALSLGETATITCRSAHSVLHRVNNENYLSWYQQKPGQPPKLLISWASTRESGVPDRFSGSGSGTYFTLTINNLQAEDVAVYYCLQYFHFPRTFGQGTTVEIK 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 (00:01:54) [INFO] Main: Simulation completed successfully. (00:01:55) |
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 | -1.5056 | |
2 | V | A | -0.6579 | |
3 | Q | A | -0.9994 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.7680 | |
6 | Q | A | 0.0000 | |
7 | S | A | -0.4698 | |
8 | G | A | -0.5245 | |
9 | A | A | -0.0103 | |
10 | E | A | -0.5317 | |
11 | V | A | 0.7098 | |
12 | K | A | -1.1303 | |
13 | K | A | -2.1964 | |
14 | P | A | -2.2784 | |
15 | G | A | -1.6024 | |
16 | A | A | -1.2518 | |
17 | S | A | -1.3842 | |
18 | V | A | 0.0000 | |
19 | K | A | -2.1604 | |
20 | V | A | 0.0000 | |
21 | S | A | -0.5264 | |
22 | C | A | 0.0000 | |
23 | K | A | -0.8131 | |
24 | A | A | 0.0000 | |
25 | S | A | -0.4524 | |
26 | G | A | -0.6229 | |
27 | Y | A | 0.2208 | |
28 | I | A | 1.0095 | |
29 | F | A | 0.0000 | |
30 | N | A | -1.7490 | |
31 | N | A | -2.3984 | |
32 | Y | A | -1.5771 | |
33 | A | A | 0.0000 | |
34 | L | A | 0.0000 | |
35 | H | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | -0.6595 | |
40 | A | A | -0.9703 | |
41 | P | A | -0.9108 | |
42 | G | A | -1.3589 | |
43 | Q | A | -2.0149 | |
44 | R | A | -1.6519 | |
45 | P | A | 0.0000 | |
46 | E | A | -0.8036 | |
47 | W | A | 0.0000 | |
48 | M | A | 0.0000 | |
49 | A | A | 0.0000 | |
50 | W | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | D | A | 0.0000 | |
53 | A | A | 0.0000 | |
54 | G | A | -2.2217 | |
55 | N | A | -2.5620 | |
56 | G | A | -2.1436 | |
57 | D | A | -2.5344 | |
58 | T | A | -1.5642 | |
59 | R | A | -1.4079 | |
60 | Y | A | -0.7281 | |
61 | S | A | 0.0000 | |
62 | Q | A | -2.1887 | |
63 | K | A | -2.5331 | |
64 | F | A | 0.0000 | |
65 | Q | A | -2.2618 | |
66 | G | A | -1.5013 | |
67 | R | A | -1.3373 | |
68 | L | A | 0.0000 | |
69 | T | A | -0.7102 | |
70 | I | A | 0.0000 | |
71 | S | A | -0.7465 | |
72 | R | A | -0.9507 | |
73 | D | A | -0.6481 | |
74 | T | A | -0.1812 | |
75 | F | A | 1.4108 | |
76 | A | A | 0.3119 | |
77 | N | A | -0.3577 | |
78 | I | A | -0.2425 | |
79 | G | A | 0.0000 | |
80 | Y | A | -0.7314 | |
81 | M | A | 0.0000 | |
82 | E | A | -1.5589 | |
83 | L | A | 0.0000 | |
84 | A | A | -1.0962 | |
85 | S | A | -1.2153 | |
86 | L | A | 0.0000 | |
87 | R | A | -3.1115 | |
88 | S | A | -2.4122 | |
89 | D | A | -2.5248 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.6786 | |
92 | A | A | 0.0000 | |
93 | V | A | 0.5212 | |
94 | Y | A | 0.0000 | |
95 | F | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | R | A | 0.0000 | |
99 | D | A | 0.0000 | |
100 | L | A | -0.2933 | |
101 | S | A | -1.8537 | |
102 | D | A | -3.1801 | |
103 | D | A | -3.3398 | |
104 | D | A | -3.5938 | |
105 | G | A | -2.4386 | |
106 | D | A | -2.1661 | |
107 | K | A | 0.0000 | |
108 | R | A | -0.8851 | |
109 | G | A | 0.0000 | |
110 | F | A | 0.0000 | |
111 | D | A | -0.1091 | |
112 | Y | A | 0.2465 | |
113 | W | A | -0.1178 | |
114 | G | A | 0.0000 | |
115 | Q | A | -0.9162 | |
116 | G | A | -0.2941 | |
117 | T | A | 0.0000 | |
118 | L | A | 0.8274 | |
119 | I | A | 0.0000 | |
120 | T | A | -0.2569 | |
121 | V | A | 0.0000 | |
122 | S | A | -1.0913 | |
123 | S | A | -1.0162 | |
1 | D | B | -2.2342 | |
2 | V | B | 0.0000 | |
3 | E | B | -2.4162 | |
4 | L | B | 0.0000 | |
5 | T | B | -1.1161 | |
6 | Q | B | 0.0000 | |
7 | S | B | -1.0469 | |
8 | P | B | -1.0624 | |
9 | D | B | -1.9507 | |
10 | S | B | -1.1583 | |
11 | L | B | -0.6058 | |
12 | A | B | -0.4148 | |
13 | L | B | -0.3386 | |
14 | S | B | -0.4456 | |
15 | L | B | 0.2043 | |
16 | G | B | -1.0722 | |
17 | E | B | -1.3601 | |
18 | T | B | -1.1461 | |
19 | A | B | 0.0000 | |
20 | T | B | -0.2695 | |
21 | I | B | 0.0000 | |
22 | T | B | -0.3999 | |
23 | C | B | 0.0000 | |
24 | R | B | -1.2968 | |
25 | S | B | 0.0000 | |
26 | A | B | -1.3220 | |
27 | H | B | -1.4786 | |
28 | S | B | -0.7310 | |
29 | V | B | 0.0000 | |
30 | L | B | -1.0154 | |
31 | H | B | -1.4226 | |
32 | R | B | -1.9356 | |
33 | V | B | -0.1451 | |
34 | N | B | -1.5610 | |
35 | N | B | -2.2706 | |
36 | E | B | -1.7677 | |
37 | N | B | -1.1125 | |
38 | Y | B | 0.0000 | |
39 | L | B | 0.0000 | |
40 | S | B | 0.0000 | |
41 | W | B | 0.0000 | |
42 | Y | B | 0.0000 | |
43 | Q | B | 0.0000 | |
44 | Q | B | 0.0000 | |
45 | K | B | -1.8538 | |
46 | P | B | -1.2596 | |
47 | G | B | -1.5139 | |
48 | Q | B | -2.2226 | |
49 | P | B | -1.4077 | |
50 | P | B | 0.0000 | |
51 | K | B | -1.5683 | |
52 | L | B | 0.0000 | |
53 | L | B | 0.0000 | |
54 | I | B | 0.0000 | |
55 | S | B | 0.0000 | |
56 | W | B | -0.2765 | |
57 | A | B | 0.0000 | |
58 | S | B | -0.7553 | |
59 | T | B | -0.7513 | |
60 | R | B | -1.6355 | |
61 | E | B | -1.5150 | |
62 | S | B | -0.8617 | |
63 | G | B | -0.9990 | |
64 | V | B | -1.1413 | |
65 | P | B | -1.3743 | |
66 | D | B | -2.2791 | |
67 | R | B | -1.7352 | |
68 | F | B | 0.0000 | |
69 | S | B | -0.9735 | |
70 | G | B | 0.0000 | |
71 | S | B | -0.3239 | |
72 | G | B | -0.3429 | |
73 | S | B | -0.2969 | |
74 | G | B | -0.6326 | |
75 | T | B | -0.1862 | |
76 | Y | B | 0.4642 | |
77 | F | B | 0.0000 | |
78 | T | B | -0.1791 | |
79 | L | B | 0.0000 | |
80 | T | B | -0.4490 | |
81 | I | B | 0.0000 | |
82 | N | B | -1.8699 | |
83 | N | B | -2.0196 | |
84 | L | B | 0.0000 | |
85 | Q | B | -1.2325 | |
86 | A | B | -0.7242 | |
87 | E | B | -1.8222 | |
88 | D | B | 0.0000 | |
89 | V | B | -0.3154 | |
90 | A | B | 0.0000 | |
91 | V | B | -0.2604 | |
92 | Y | B | 0.0000 | |
93 | Y | B | 0.0000 | |
94 | C | B | 0.0000 | |
95 | L | B | 0.0000 | |
96 | Q | B | 0.0000 | |
97 | Y | B | 0.0000 | |
98 | F | B | -0.0340 | |
99 | H | B | -0.3096 | |
100 | F | B | -0.0985 | |
101 | P | B | -0.6609 | |
102 | R | B | 0.0000 | |
103 | T | B | -0.8241 | |
104 | F | B | 0.0000 | |
105 | G | B | 0.0000 | |
106 | Q | B | -1.3398 | |
107 | G | B | 0.0000 | |
108 | T | B | 0.0000 | |
109 | T | B | -0.6782 | |
110 | V | B | 0.0000 | |
111 | E | B | -0.9869 | |
112 | I | B | -0.6408 | |
113 | K | B | -1.4043 |