Chain sequence(s) |
A: EVQLVESGGGVVQPGRSLRLSCVASGFMFDDFAMSWVRQVPGKGLEWVSGISWNGGTTDYATSVQGRFTISRDDAKSTLYLEMNSLRPDDTAFYYCAKDIRVRNSPPEAAVVRSYFYGLDVWGRGTTVTVSS
B: QSVLTQSPSVSGAPGQRVTISCTGSDSNIGAGFDVHWYQQVPGSAPKLLIYGNTNRPSGVSDRFSGSKSLTSASLAITGLQPEDEGDYYCQSYDSRLTASVFGGGTKVTVL 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 (00:01:39) [INFO] Main: Simulation completed successfully. (00:01:41) |
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 | E | A | -1.9508 | |
2 | V | A | -0.7901 | |
3 | Q | A | -1.1491 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.3745 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.4963 | |
8 | G | A | -0.9225 | |
9 | G | A | -0.3067 | |
10 | G | A | 0.4027 | |
11 | V | A | 1.4607 | |
12 | V | A | -0.3541 | |
13 | Q | A | -1.8254 | |
14 | P | A | -2.2343 | |
15 | G | A | -2.2398 | |
16 | R | A | -2.6514 | |
17 | S | A | -2.0604 | |
18 | L | A | -1.2199 | |
19 | R | A | -2.1259 | |
20 | L | A | 0.0000 | |
21 | S | A | -0.3332 | |
22 | C | A | 0.0000 | |
23 | V | A | 0.5719 | |
24 | A | A | 0.0000 | |
25 | S | A | -0.5278 | |
26 | G | A | -0.8385 | |
27 | F | A | 0.0096 | |
28 | M | A | 0.6032 | |
29 | F | A | 0.0000 | |
30 | D | A | -1.9717 | |
31 | D | A | -1.3678 | |
32 | F | A | 0.0000 | |
33 | A | A | 0.0000 | |
34 | M | A | 0.0000 | |
35 | S | A | 0.0000 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | 0.0000 | |
40 | V | A | -0.5173 | |
41 | P | A | -0.7347 | |
42 | G | A | -1.3421 | |
43 | K | A | -2.0568 | |
44 | G | A | -1.3806 | |
45 | L | A | 0.0000 | |
46 | E | A | -0.9527 | |
47 | W | A | 0.0000 | |
48 | V | A | 0.0000 | |
49 | S | A | 0.0000 | |
50 | G | A | 0.0000 | |
51 | I | A | 0.0000 | |
52 | S | A | 0.0000 | |
53 | W | A | -1.7119 | |
54 | N | A | -2.1906 | |
55 | G | A | -1.4073 | |
56 | G | A | -0.9813 | |
57 | T | A | -0.5919 | |
58 | T | A | -0.2830 | |
59 | D | A | -0.3047 | |
60 | Y | A | -0.4331 | |
61 | A | A | -0.4705 | |
62 | T | A | -0.5342 | |
63 | S | A | -0.8622 | |
64 | V | A | 0.0000 | |
65 | Q | A | -1.5570 | |
66 | G | A | -1.2706 | |
67 | R | A | -1.3827 | |
68 | F | A | 0.0000 | |
69 | T | A | -0.9121 | |
70 | I | A | 0.0000 | |
71 | S | A | -0.5298 | |
72 | R | A | -1.2473 | |
73 | D | A | -1.5250 | |
74 | D | A | -2.1217 | |
75 | A | A | -1.5304 | |
76 | K | A | -1.9744 | |
77 | S | A | -1.1983 | |
78 | T | A | 0.0000 | |
79 | L | A | 0.0000 | |
80 | Y | A | -0.5119 | |
81 | L | A | 0.0000 | |
82 | E | A | -1.6170 | |
83 | M | A | 0.0000 | |
84 | N | A | -1.8712 | |
85 | S | A | -1.8148 | |
86 | L | A | 0.0000 | |
87 | R | A | -3.0962 | |
88 | P | A | -2.1861 | |
89 | D | A | -2.4226 | |
90 | D | A | 0.0000 | |
91 | T | A | -0.5916 | |
92 | A | A | 0.0000 | |
93 | F | A | 0.3396 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | K | A | 0.0000 | |
99 | D | A | 0.0000 | |
100 | I | A | 0.2008 | |
101 | R | A | 0.0000 | |
102 | V | A | -0.4191 | |
103 | R | A | -2.3837 | |
104 | N | A | -2.0576 | |
105 | S | A | -1.3339 | |
106 | P | A | -1.1333 | |
107 | P | A | -1.0481 | |
108 | E | A | -1.2244 | |
109 | A | A | -0.3983 | |
110 | A | A | 0.1683 | |
111 | V | A | 0.6152 | |
112 | V | A | -0.0155 | |
113 | R | A | -0.7336 | |
114 | S | A | -0.9137 | |
115 | Y | A | 0.0000 | |
116 | F | A | 0.0000 | |
117 | Y | A | 0.0000 | |
118 | G | A | 0.0000 | |
119 | L | A | 0.0000 | |
120 | D | A | -0.6651 | |
121 | V | A | -0.4292 | |
122 | W | A | -0.5658 | |
123 | G | A | 0.0000 | |
124 | R | A | -1.7369 | |
125 | G | A | 0.0000 | |
126 | T | A | -0.3542 | |
127 | T | A | 0.2611 | |
128 | V | A | 0.0000 | |
129 | T | A | -0.0290 | |
130 | V | A | 0.0000 | |
131 | S | A | -0.7548 | |
132 | S | A | -1.0594 | |
1 | Q | B | -1.1428 | |
2 | S | B | -0.5810 | |
3 | V | B | 0.3507 | |
4 | L | B | 0.0000 | |
5 | T | B | -0.3271 | |
6 | Q | B | 0.0000 | |
7 | S | B | -0.5540 | |
8 | P | B | -0.7263 | |
9 | S | B | -0.6375 | |
10 | V | B | -0.0752 | |
11 | S | B | -0.1366 | |
12 | G | B | 0.0000 | |
13 | A | B | -0.2532 | |
14 | P | B | -1.0682 | |
15 | G | B | -1.6124 | |
16 | Q | B | -2.1875 | |
17 | R | B | -2.5717 | |
18 | V | B | 0.0000 | |
19 | T | B | -0.4765 | |
20 | I | B | 0.0000 | |
21 | S | B | -0.3362 | |
22 | C | B | 0.0000 | |
23 | T | B | -0.0348 | |
24 | G | B | -0.2572 | |
25 | S | B | -0.7940 | |
26 | D | B | -1.9801 | |
27 | S | B | -1.5297 | |
28 | N | B | 0.0000 | |
29 | I | B | 0.0000 | |
30 | G | B | -0.6758 | |
31 | A | B | -0.3556 | |
32 | G | B | 0.0719 | |
33 | F | B | 0.0000 | |
34 | D | B | 0.0000 | |
35 | V | B | 0.0000 | |
36 | H | B | 0.0000 | |
37 | W | B | 0.0000 | |
38 | Y | B | 0.0000 | |
39 | Q | B | 0.0000 | |
40 | Q | B | -0.7089 | |
41 | V | B | -0.5518 | |
42 | P | B | -0.4746 | |
43 | G | B | -0.7121 | |
44 | S | B | -0.7470 | |
45 | A | B | -0.8043 | |
46 | P | B | 0.0000 | |
47 | K | B | -1.4001 | |
48 | L | B | 0.0000 | |
49 | L | B | 0.0000 | |
50 | I | B | 0.0000 | |
51 | Y | B | -0.3045 | |
52 | G | B | 0.0000 | |
53 | N | B | -0.6659 | |
54 | T | B | -0.5851 | |
55 | N | B | -0.8168 | |
56 | R | B | -1.1887 | |
57 | P | B | -0.5924 | |
58 | S | B | -0.5890 | |
59 | G | B | -0.8134 | |
60 | V | B | -0.9756 | |
61 | S | B | -1.2483 | |
62 | D | B | -2.1444 | |
63 | R | B | -1.5605 | |
64 | F | B | 0.0000 | |
65 | S | B | -0.8822 | |
66 | G | B | -0.5166 | |
67 | S | B | -0.6401 | |
68 | K | B | -0.4664 | |
69 | S | B | 0.1726 | |
70 | L | B | 0.9557 | |
71 | T | B | -0.0244 | |
72 | S | B | 0.0241 | |
73 | A | B | 0.0000 | |
74 | S | B | -0.3989 | |
75 | L | B | 0.0000 | |
76 | A | B | 0.0000 | |
77 | I | B | 0.0000 | |
78 | T | B | -1.7076 | |
79 | G | B | -1.4518 | |
80 | L | B | 0.0000 | |
81 | Q | B | -1.7141 | |
82 | P | B | -1.4298 | |
83 | E | B | -2.3073 | |
84 | D | B | 0.0000 | |
85 | E | B | -1.6046 | |
86 | G | B | 0.0000 | |
87 | D | B | -0.9821 | |
88 | Y | B | 0.0000 | |
89 | Y | B | 0.0000 | |
90 | C | B | 0.0000 | |
91 | Q | B | 0.0000 | |
92 | S | B | 0.0000 | |
93 | Y | B | 0.0000 | |
94 | D | B | 0.0000 | |
95 | S | B | -1.1434 | |
96 | R | B | -1.9852 | |
97 | L | B | -0.6069 | |
98 | T | B | -0.6481 | |
99 | A | B | 0.0000 | |
100 | S | B | 0.0000 | |
101 | V | B | 0.0000 | |
102 | F | B | 0.0000 | |
103 | G | B | 0.0000 | |
104 | G | B | -1.1617 | |
105 | G | B | -0.9970 | |
106 | T | B | 0.0000 | |
107 | K | B | -1.2288 | |
108 | V | B | 0.0000 | |
109 | T | B | -0.3014 | |
110 | V | B | -0.0374 | |
111 | L | B | 1.3855 |