Chain sequence(s) |
A: EVQLVESGGGLVQPGGSLRLSCTASGFMFSSYAINWVRQAPGKGLEYVSGISSNGGSTSYAKSVKGRITISRDNSKNKVYLQMGSLRGEDMGVYYCARNSRLGQLKLFPGKREAPNYSYYAMDVWGQGTTVTVSS
B: IQMTQSPSSLSASVGDRVTITCRASQSIGTYLNWFQQKAGKAPRLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFTTYFCQQNFNSPDTFGQGTKLEIK 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. (00:01:56) |
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 | -1.7351 | |
2 | V | A | -0.3704 | |
3 | Q | A | -0.6973 | |
4 | L | A | 0.0000 | |
5 | V | A | 0.4858 | |
6 | E | A | 0.0000 | |
7 | S | A | -0.4902 | |
8 | G | A | -0.9075 | |
9 | G | A | -0.3056 | |
10 | G | A | 0.3709 | |
11 | L | A | 1.2976 | |
12 | V | A | 0.0753 | |
13 | Q | A | -1.2469 | |
14 | P | A | -1.2363 | |
15 | G | A | -1.2603 | |
16 | G | A | -0.7622 | |
17 | S | A | -0.8309 | |
18 | L | A | -0.6617 | |
19 | R | A | -1.6732 | |
20 | L | A | 0.0000 | |
21 | S | A | -0.4748 | |
22 | C | A | 0.0000 | |
23 | T | A | -0.3729 | |
24 | A | A | 0.0000 | |
25 | S | A | -0.4469 | |
26 | G | A | -0.6602 | |
27 | F | A | 0.2323 | |
28 | M | A | 0.9441 | |
29 | F | A | 0.0000 | |
30 | S | A | -0.8172 | |
31 | S | A | -0.2178 | |
32 | Y | A | -0.3665 | |
33 | A | A | -0.5597 | |
34 | I | A | 0.0000 | |
35 | N | A | -0.1936 | |
36 | W | A | 0.0000 | |
37 | V | A | 0.0000 | |
38 | R | A | 0.0000 | |
39 | Q | A | -0.8048 | |
40 | A | A | -1.2420 | |
41 | P | A | -0.9592 | |
42 | G | A | -1.4634 | |
43 | K | A | -2.3854 | |
44 | G | A | -1.6607 | |
45 | L | A | 0.0000 | |
46 | E | A | -1.2087 | |
47 | Y | 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 | -0.8412 | |
53 | S | A | -1.0747 | |
54 | N | A | -1.8167 | |
55 | G | A | -1.3609 | |
56 | G | A | -1.1333 | |
57 | S | A | -0.7856 | |
58 | T | A | -0.3338 | |
59 | S | A | -0.5493 | |
60 | Y | A | -1.0098 | |
61 | A | A | 0.0000 | |
62 | K | A | -2.3536 | |
63 | S | A | -1.7376 | |
64 | V | A | 0.0000 | |
65 | K | A | -2.6014 | |
66 | G | A | -1.7621 | |
67 | R | A | -1.3486 | |
68 | I | A | 0.0000 | |
69 | T | A | -0.8512 | |
70 | I | A | 0.0000 | |
71 | S | A | -0.6047 | |
72 | R | A | -1.3747 | |
73 | D | A | -1.8421 | |
74 | N | A | -1.9335 | |
75 | S | A | -1.6731 | |
76 | K | A | -2.5047 | |
77 | N | A | -1.7653 | |
78 | K | A | -1.4777 | |
79 | V | A | 0.0000 | |
80 | Y | A | -0.6181 | |
81 | L | A | 0.0000 | |
82 | Q | A | -1.1817 | |
83 | M | A | 0.0000 | |
84 | G | A | -1.0063 | |
85 | S | A | -1.0560 | |
86 | L | A | 0.0000 | |
87 | R | A | -2.0903 | |
88 | G | A | -1.9576 | |
89 | E | A | -2.2765 | |
90 | D | A | 0.0000 | |
91 | M | A | -0.4972 | |
92 | G | A | 0.0000 | |
93 | V | A | 0.1206 | |
94 | Y | A | 0.0000 | |
95 | Y | A | 0.0000 | |
96 | C | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | R | A | -0.4164 | |
99 | N | A | -0.4681 | |
100 | S | A | 0.0000 | |
101 | R | A | -1.7859 | |
102 | L | A | -0.8939 | |
103 | G | A | -1.0146 | |
104 | Q | A | -1.6539 | |
105 | L | A | -0.6253 | |
106 | K | A | -0.7600 | |
107 | L | A | 0.8527 | |
108 | F | A | 1.2280 | |
109 | P | A | -0.0306 | |
110 | G | A | -1.2055 | |
111 | K | A | -2.2011 | |
112 | R | A | -2.5213 | |
113 | E | A | -1.5707 | |
114 | A | A | -0.9233 | |
115 | P | A | -0.8628 | |
116 | N | A | -1.2517 | |
117 | Y | A | 0.0086 | |
118 | S | A | -0.5321 | |
119 | Y | A | 0.0000 | |
120 | Y | A | 0.0193 | |
121 | A | A | 0.0000 | |
122 | M | A | 0.0000 | |
123 | D | A | -0.6364 | |
124 | V | A | -0.2811 | |
125 | W | A | -0.5089 | |
126 | G | A | 0.0000 | |
127 | Q | A | -1.4058 | |
128 | G | A | -0.6844 | |
129 | T | A | -0.2326 | |
130 | T | A | 0.1475 | |
131 | V | A | 0.0000 | |
132 | T | A | 0.1308 | |
133 | V | A | -0.5241 | |
134 | S | A | -0.3686 | |
135 | S | A | -0.6572 | |
1 | I | B | -0.3462 | |
2 | Q | B | -1.4302 | |
3 | M | B | 0.0000 | |
4 | T | B | -1.2007 | |
5 | Q | B | 0.0000 | |
6 | S | B | -0.6688 | |
7 | P | B | -0.5555 | |
8 | S | B | -0.8474 | |
9 | S | B | -1.0270 | |
10 | L | B | -0.5282 | |
11 | S | B | -0.6712 | |
12 | A | B | 0.0000 | |
13 | S | B | -0.2489 | |
14 | V | B | 0.4354 | |
15 | G | B | -0.8578 | |
16 | D | B | -1.6542 | |
17 | R | B | -2.2827 | |
18 | V | B | 0.0000 | |
19 | T | B | -0.4913 | |
20 | I | B | 0.0000 | |
21 | T | B | -0.7555 | |
22 | C | B | 0.0000 | |
23 | R | B | -2.4234 | |
24 | A | B | 0.0000 | |
25 | S | B | -1.5171 | |
26 | Q | B | -1.7106 | |
27 | S | B | -1.1029 | |
28 | I | B | 0.0000 | |
29 | G | B | -0.4861 | |
30 | T | B | -0.1864 | |
31 | Y | B | 0.5052 | |
32 | L | B | 0.0000 | |
33 | N | B | 0.0000 | |
34 | W | B | 0.0000 | |
35 | F | B | 0.0000 | |
36 | Q | B | 0.0000 | |
37 | Q | B | 0.0000 | |
38 | K | B | -1.6044 | |
39 | A | B | -1.0108 | |
40 | G | B | -1.5130 | |
41 | K | B | -2.5329 | |
42 | A | B | -1.6375 | |
43 | P | B | 0.0000 | |
44 | R | B | -1.6587 | |
45 | L | B | 0.0000 | |
46 | L | B | 0.0000 | |
47 | I | B | 0.0000 | |
48 | Y | B | 0.3365 | |
49 | A | B | 0.1566 | |
50 | A | B | 0.0000 | |
51 | S | B | -0.2352 | |
52 | S | B | 0.0566 | |
53 | L | B | 0.3120 | |
54 | Q | B | -0.2595 | |
55 | S | B | -0.3583 | |
56 | G | B | -0.4831 | |
57 | V | B | -0.3412 | |
58 | P | B | -0.3264 | |
59 | S | B | -0.4008 | |
60 | R | B | -0.7478 | |
61 | F | B | 0.0000 | |
62 | S | B | -0.3129 | |
63 | G | B | -0.2821 | |
64 | S | B | -0.7781 | |
65 | G | B | -1.2196 | |
66 | S | B | -1.1132 | |
67 | G | B | -1.2678 | |
68 | T | B | -1.8944 | |
69 | D | B | -2.5681 | |
70 | F | B | 0.0000 | |
71 | T | B | -0.8016 | |
72 | L | B | 0.0000 | |
73 | T | B | -0.6125 | |
74 | I | B | 0.0000 | |
75 | S | B | -1.3698 | |
76 | S | B | -1.2270 | |
77 | L | B | 0.0000 | |
78 | Q | B | -0.9227 | |
79 | P | B | -0.4323 | |
80 | E | B | -1.2860 | |
81 | D | B | 0.0000 | |
82 | F | B | -0.3634 | |
83 | T | B | -0.7576 | |
84 | T | B | -0.9001 | |
85 | Y | B | 0.0000 | |
86 | F | B | 0.0000 | |
87 | C | B | 0.0000 | |
88 | Q | B | 0.0000 | |
89 | Q | B | 0.0000 | |
90 | N | B | 0.0171 | |
91 | F | B | 0.2210 | |
92 | N | B | -0.8551 | |
93 | S | B | -0.6735 | |
94 | P | B | -0.7387 | |
95 | D | B | -0.6550 | |
96 | T | B | -0.6467 | |
97 | F | B | 0.0000 | |
98 | G | B | 0.0000 | |
99 | Q | B | -1.8449 | |
100 | G | B | 0.0000 | |
101 | T | B | 0.0000 | |
102 | K | B | -1.6837 | |
103 | L | B | 0.0000 | |
104 | E | B | -1.3069 | |
105 | I | B | 0.5426 | |
106 | K | B | -0.9592 |