| Chain sequence(s) |
A: EKTELIQKAKLAEQAERYDDMATCMKAVTEQGAELSNEERNLLSVAYKNVVGGRRSAWRVISSIEQKTDTSDKKLQLIKDYREKVESELRSICTTVLELLDKYLIANATNPESKVFYLKMKGDYFRYLAEVACGDDRKQTIDNSQGAYQEAFDISKKEMQPTHPIRLGLALNFSVFYYEILNNPELACTLAKTAFDEAIAELDTLNEDSYKDSTLIMQLLRDNLTLWTSDSAGEECDAA
B: EKTELIQKAKLAEQAERYDDMATCMKAVTEQGAELSNEERNLLSVAYKNVVGGRRSAWRVISSIEQKTDTSDKKLQLIKDYREKVESELRSICTTVLELLDKYLIANATNPESKVFYLKMKGDYFRYLAEVACGDDRKQTIDNSQGAYQEAFDISKKEMQPTHPIRLGLALNFSVFYYEILNNPELACTLAKTAFDEAIAELDTLNEDSYKDSTLIMQLLRDNLTLWTSDSAGEECDAA input PDB |
| Selected Chain(s) | A,B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:09)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:09)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:09)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:09)
[INFO] FoldX: Starting FoldX energy minimalization (00:00:09)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:10:44)
[INFO] Main: Simulation completed successfully. (00:10:47)
|
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 | |
| 2 | E | A | -2.7965 | |
| 3 | K | A | -2.3165 | |
| 4 | T | A | -1.8600 | |
| 5 | E | A | -3.0746 | |
| 6 | L | A | -1.7178 | |
| 7 | I | A | -1.5214 | |
| 8 | Q | A | -1.8262 | |
| 9 | K | A | -1.8940 | |
| 10 | A | A | 0.0000 | |
| 11 | K | A | -2.2240 | |
| 12 | L | A | 0.0000 | |
| 13 | A | A | 0.0000 | |
| 14 | E | A | -2.6769 | |
| 15 | Q | A | -2.3004 | |
| 16 | A | A | 0.0000 | |
| 17 | E | A | -2.9792 | |
| 18 | R | A | -2.1448 | |
| 19 | Y | A | -1.8603 | |
| 20 | D | A | -2.2594 | |
| 21 | D | A | -1.5559 | |
| 22 | M | A | 0.0000 | |
| 23 | A | A | 0.0000 | |
| 24 | T | A | -0.7858 | |
| 25 | C | A | 0.0000 | |
| 26 | M | A | 0.0000 | |
| 27 | K | A | -1.1872 | |
| 28 | A | A | -1.3508 | |
| 29 | V | A | 0.0000 | |
| 30 | T | A | 0.0000 | |
| 31 | E | A | -2.4743 | |
| 32 | Q | A | -2.4577 | |
| 33 | G | A | -1.7022 | |
| 34 | A | A | -1.1898 | |
| 35 | E | A | -1.3040 | |
| 36 | L | A | -1.2562 | |
| 37 | S | A | -1.5252 | |
| 38 | N | A | -2.4734 | |
| 39 | E | A | -2.3764 | |
| 40 | E | A | 0.0000 | |
| 41 | R | A | -1.4460 | |
| 42 | N | A | -1.3646 | |
| 43 | L | A | 0.0000 | |
| 44 | L | A | 0.0000 | |
| 45 | S | A | -0.3838 | |
| 46 | V | A | 0.0130 | |
| 47 | A | A | 0.0000 | |
| 48 | Y | A | 0.0000 | |
| 49 | K | A | -0.7760 | |
| 50 | N | A | -1.5471 | |
| 51 | V | A | -0.9905 | |
| 52 | V | A | 0.0000 | |
| 53 | G | A | -1.0827 | |
| 54 | G | A | -1.3100 | |
| 55 | R | A | -1.3874 | |
| 56 | R | A | -1.4660 | |
| 57 | S | A | -1.3940 | |
| 58 | A | A | 0.0000 | |
| 59 | W | A | -1.4699 | |
| 60 | R | A | -1.7334 | |
| 61 | V | A | -0.9593 | |
| 62 | I | A | 0.0000 | |
| 63 | S | A | -1.4220 | |
| 64 | S | A | -1.1549 | |
| 65 | I | A | -1.4214 | |
| 66 | E | A | -2.5649 | |
| 67 | Q | A | -2.6647 | |
| 68 | K | A | -2.8580 | |
| 69 | T | A | -2.9223 | |
| 70 | D | A | -3.4808 | |
| 71 | T | A | -2.1242 | |
| 72 | S | A | -2.6569 | |
| 73 | D | A | -3.5241 | |
| 74 | K | A | -3.5310 | |
| 75 | K | A | -3.0724 | |
| 76 | L | A | -3.1920 | |
| 77 | Q | A | -3.2562 | |
| 78 | L | A | -2.5321 | |
| 79 | I | A | 0.0000 | |
| 80 | K | A | -3.0020 | |
| 81 | D | A | -3.5782 | |
| 82 | Y | A | 0.0000 | |
| 83 | R | A | -2.7747 | |
| 84 | E | A | -3.5436 | |
| 85 | K | A | -3.1229 | |
| 86 | V | A | 0.0000 | |
| 87 | E | A | 0.0000 | |
| 88 | S | A | -1.6047 | |
| 89 | E | A | -1.2786 | |
| 90 | L | A | 0.0000 | |
| 91 | R | A | -0.8752 | |
| 92 | S | A | -0.5836 | |
| 93 | I | A | -0.3125 | |
| 94 | C | A | 0.0000 | |
| 95 | T | A | -0.7070 | |
| 96 | T | A | -0.8087 | |
| 97 | V | A | 0.0000 | |
| 98 | L | A | 0.0000 | |
| 99 | E | A | -2.9299 | |
| 100 | L | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | D | A | -3.1066 | |
| 103 | K | A | -3.2029 | |
| 104 | Y | A | -2.1049 | |
| 105 | L | A | 0.0000 | |
| 106 | I | A | -0.7107 | |
| 107 | A | A | -0.8935 | |
| 108 | N | A | -1.2152 | |
| 109 | A | A | 0.0000 | |
| 110 | T | A | -1.0181 | |
| 111 | N | A | -1.7378 | |
| 112 | P | A | -1.7297 | |
| 113 | E | A | -1.8514 | |
| 114 | S | A | -1.2901 | |
| 115 | K | A | -1.0482 | |
| 116 | V | A | 0.0000 | |
| 117 | F | A | -0.2678 | |
| 118 | Y | A | 0.0000 | |
| 119 | L | A | -0.6526 | |
| 120 | K | A | -0.5880 | |
| 121 | M | A | 0.0000 | |
| 122 | K | A | -0.8043 | |
| 123 | G | A | 0.0000 | |
| 124 | D | A | 0.0000 | |
| 125 | Y | A | 0.0000 | |
| 126 | F | A | -0.4756 | |
| 127 | R | A | 0.0000 | |
| 128 | Y | A | 0.0000 | |
| 129 | L | A | -0.1939 | |
| 130 | A | A | 0.0000 | |
| 131 | E | A | -0.5451 | |
| 132 | V | A | 0.0000 | |
| 133 | A | A | -1.1027 | |
| 134 | C | A | -0.8594 | |
| 135 | G | A | -2.2038 | |
| 136 | D | A | -3.4985 | |
| 137 | D | A | -3.6812 | |
| 138 | R | A | -3.3544 | |
| 139 | K | A | -3.9650 | |
| 140 | Q | A | -3.7076 | |
| 141 | T | A | -2.6136 | |
| 142 | I | A | -2.1241 | |
| 143 | D | A | -2.7927 | |
| 144 | N | A | -2.3890 | |
| 145 | S | A | 0.0000 | |
| 146 | Q | A | -1.6977 | |
| 147 | G | A | -1.8523 | |
| 148 | A | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | Q | A | -1.7750 | |
| 151 | E | A | -2.4787 | |
| 152 | A | A | 0.0000 | |
| 153 | F | A | -1.4454 | |
| 154 | D | A | -2.2746 | |
| 155 | I | A | -2.1827 | |
| 156 | S | A | 0.0000 | |
| 157 | K | A | -3.1692 | |
| 158 | K | A | -3.4203 | |
| 159 | E | A | -3.5286 | |
| 160 | M | A | 0.0000 | |
| 161 | Q | A | -1.9496 | |
| 162 | P | A | 0.0000 | |
| 163 | T | A | 0.0000 | |
| 164 | H | A | -0.7716 | |
| 165 | P | A | -0.5577 | |
| 166 | I | A | -0.3701 | |
| 167 | R | A | -0.7636 | |
| 168 | L | A | 0.0000 | |
| 169 | G | A | -0.0436 | |
| 170 | L | A | 0.0000 | |
| 171 | A | A | 0.0000 | |
| 172 | L | A | 0.0928 | |
| 173 | N | A | 0.0177 | |
| 174 | F | A | 0.0000 | |
| 175 | S | A | 0.0000 | |
| 176 | V | A | -0.1623 | |
| 177 | F | A | 0.0000 | |
| 178 | Y | A | -0.6391 | |
| 179 | Y | A | -1.1452 | |
| 180 | E | A | -2.0517 | |
| 181 | I | A | 0.0000 | |
| 182 | L | A | -0.7054 | |
| 183 | N | A | -1.9679 | |
| 184 | N | A | -1.5800 | |
| 185 | P | A | -1.2979 | |
| 186 | E | A | -1.6406 | |
| 187 | L | A | -0.2116 | |
| 188 | A | A | 0.0000 | |
| 189 | C | A | -0.6131 | |
| 190 | T | A | -0.4363 | |
| 191 | L | A | -0.0534 | |
| 192 | A | A | 0.0000 | |
| 193 | K | A | -1.3747 | |
| 194 | T | A | -0.8475 | |
| 195 | A | A | -0.6673 | |
| 196 | F | A | -0.6743 | |
| 197 | D | A | -1.3978 | |
| 198 | E | A | -1.3135 | |
| 199 | A | A | 0.0000 | |
| 200 | I | A | 0.4174 | |
| 201 | A | A | -0.5673 | |
| 202 | E | A | -1.6616 | |
| 203 | L | A | -0.4732 | |
| 204 | D | A | -1.8027 | |
| 205 | T | A | -1.2963 | |
| 206 | L | A | -1.6181 | |
| 207 | N | A | -2.7144 | |
| 208 | E | A | -3.2455 | |
| 209 | D | A | -3.3394 | |
| 210 | S | A | -2.5538 | |
| 211 | Y | A | -1.6814 | |
| 212 | K | A | -2.5926 | |
| 213 | D | A | -2.2467 | |
| 214 | S | A | 0.0000 | |
| 215 | T | A | -0.3439 | |
| 216 | L | A | -0.1668 | |
| 217 | I | A | -0.4281 | |
| 218 | M | A | 0.0000 | |
| 219 | Q | A | -1.0644 | |
| 220 | L | A | -0.4166 | |
| 221 | L | A | 0.0000 | |
| 222 | R | A | -1.7190 | |
| 223 | D | A | -1.5166 | |
| 224 | N | A | -0.5367 | |
| 225 | L | A | 0.0000 | |
| 226 | T | A | -0.6571 | |
| 227 | L | A | 0.5934 | |
| 228 | W | A | -0.0005 | |
| 229 | T | A | -0.5886 | |
| 230 | S | A | -0.6401 | |
| 231 | D | A | -1.8260 | |
| 232 | S | A | -1.6055 | |
| 233 | A | A | -1.3238 | |
| 234 | G | A | -1.9687 | |
| 235 | E | A | -2.7884 | |
| 236 | E | A | -2.8868 | |
| 237 | C | A | -1.4831 | |
| 238 | D | A | -1.8093 | |
| 239 | A | A | -0.8659 | |
| 240 | A | A | -0.2911 | |
| 492 | E | B | -2.8399 | |
| 493 | K | B | -2.3989 | |
| 494 | T | B | -2.0064 | |
| 495 | E | B | -3.2456 | |
| 496 | L | B | -1.9210 | |
| 497 | I | B | 0.0000 | |
| 498 | Q | B | -2.0879 | |
| 499 | K | B | -2.0942 | |
| 500 | A | B | 0.0000 | |
| 501 | K | B | -2.4284 | |
| 502 | L | B | 0.0000 | |
| 503 | A | B | 0.0000 | |
| 504 | E | B | -2.6175 | |
| 505 | Q | B | -2.2767 | |
| 506 | A | B | 0.0000 | |
| 507 | E | B | -2.9708 | |
| 508 | R | B | -2.1725 | |
| 509 | Y | B | -1.8782 | |
| 510 | D | B | -2.3098 | |
| 511 | D | B | -1.6490 | |
| 512 | M | B | 0.0000 | |
| 513 | A | B | 0.0000 | |
| 514 | T | B | -0.8153 | |
| 515 | C | B | 0.0000 | |
| 516 | M | B | 0.0000 | |
| 517 | K | B | -1.1889 | |
| 518 | A | B | -1.3733 | |
| 519 | V | B | 0.0000 | |
| 520 | T | B | 0.0000 | |
| 521 | E | B | -2.5102 | |
| 522 | Q | B | -2.4730 | |
| 523 | G | B | -1.7184 | |
| 524 | A | B | -1.1996 | |
| 525 | E | B | -1.2818 | |
| 526 | L | B | -1.2834 | |
| 527 | S | B | -1.6179 | |
| 528 | N | B | -2.6128 | |
| 529 | E | B | -2.7312 | |
| 530 | E | B | 0.0000 | |
| 531 | R | B | 0.0000 | |
| 532 | N | B | -1.5691 | |
| 533 | L | B | 0.0000 | |
| 534 | L | B | 0.0000 | |
| 535 | S | B | -0.3799 | |
| 536 | V | B | 0.0913 | |
| 537 | A | B | 0.0000 | |
| 538 | Y | B | 0.0000 | |
| 539 | K | B | -0.6846 | |
| 540 | N | B | -1.4858 | |
| 541 | V | B | -1.0130 | |
| 542 | V | B | 0.0000 | |
| 543 | G | B | -1.0558 | |
| 544 | G | B | -1.3080 | |
| 545 | R | B | -1.4840 | |
| 546 | R | B | -1.5770 | |
| 547 | S | B | -1.4654 | |
| 548 | A | B | 0.0000 | |
| 549 | W | B | -1.5102 | |
| 550 | R | B | -1.8865 | |
| 551 | V | B | -1.0458 | |
| 552 | I | B | 0.0000 | |
| 553 | S | B | -1.4613 | |
| 554 | S | B | -1.2121 | |
| 555 | I | B | -1.5122 | |
| 556 | E | B | -2.6247 | |
| 557 | Q | B | -2.6583 | |
| 558 | K | B | -2.9068 | |
| 559 | T | B | 0.0000 | |
| 560 | D | B | -3.5311 | |
| 561 | T | B | -2.1658 | |
| 562 | S | B | -2.7628 | |
| 563 | D | B | -3.6368 | |
| 564 | K | B | -3.7035 | |
| 565 | K | B | -3.3978 | |
| 566 | L | B | -3.3379 | |
| 567 | Q | B | -3.3301 | |
| 568 | L | B | -2.5840 | |
| 569 | I | B | 0.0000 | |
| 570 | K | B | -2.8700 | |
| 571 | D | B | -3.3959 | |
| 572 | Y | B | 0.0000 | |
| 573 | R | B | -2.6163 | |
| 574 | E | B | -3.3332 | |
| 575 | K | B | -2.6722 | |
| 576 | V | B | 0.0000 | |
| 577 | E | B | 0.0000 | |
| 578 | S | B | -1.6030 | |
| 579 | E | B | -1.4133 | |
| 580 | L | B | 0.0000 | |
| 581 | R | B | -1.0319 | |
| 582 | S | B | -0.7627 | |
| 583 | I | B | 0.0000 | |
| 584 | C | B | 0.0000 | |
| 585 | T | B | -0.7799 | |
| 586 | T | B | -0.8796 | |
| 587 | V | B | 0.0000 | |
| 588 | L | B | 0.0000 | |
| 589 | E | B | -2.9335 | |
| 590 | L | B | 0.0000 | |
| 591 | L | B | 0.0000 | |
| 592 | D | B | -3.1214 | |
| 593 | K | B | -3.2057 | |
| 594 | Y | B | -2.1118 | |
| 595 | L | B | 0.0000 | |
| 596 | I | B | -0.7201 | |
| 597 | A | B | -0.8794 | |
| 598 | N | B | -1.2163 | |
| 599 | A | B | -0.8633 | |
| 600 | T | B | -1.0593 | |
| 601 | N | B | -1.8357 | |
| 602 | P | B | -1.7684 | |
| 603 | E | B | -1.8839 | |
| 604 | S | B | -1.3015 | |
| 605 | K | B | -1.1039 | |
| 606 | V | B | 0.0000 | |
| 607 | F | B | -0.3095 | |
| 608 | Y | B | 0.0000 | |
| 609 | L | B | 0.0000 | |
| 610 | K | B | -0.6389 | |
| 611 | M | B | 0.0000 | |
| 612 | K | B | -0.8689 | |
| 613 | G | B | 0.0000 | |
| 614 | D | B | 0.0000 | |
| 615 | Y | B | 0.0000 | |
| 616 | F | B | -0.5224 | |
| 617 | R | B | -0.6048 | |
| 618 | Y | B | 0.0000 | |
| 619 | L | B | -0.3602 | |
| 620 | A | B | 0.0000 | |
| 621 | E | B | -0.7747 | |
| 622 | V | B | 0.0000 | |
| 623 | A | B | -1.1831 | |
| 624 | C | B | -0.8839 | |
| 625 | G | B | -2.2040 | |
| 626 | D | B | -3.4985 | |
| 627 | D | B | -3.6803 | |
| 628 | R | B | -3.3133 | |
| 629 | K | B | -3.8539 | |
| 630 | Q | B | -3.5381 | |
| 631 | T | B | -2.4878 | |
| 632 | I | B | -1.9721 | |
| 633 | D | B | -2.4203 | |
| 634 | N | B | -1.9762 | |
| 635 | S | B | 0.0000 | |
| 636 | Q | B | -1.5643 | |
| 637 | G | B | -1.6720 | |
| 638 | A | B | 0.0000 | |
| 639 | Y | B | 0.0000 | |
| 640 | Q | B | -1.7194 | |
| 641 | E | B | -2.5205 | |
| 642 | A | B | 0.0000 | |
| 643 | F | B | -1.4116 | |
| 644 | D | B | -2.4080 | |
| 645 | I | B | -2.3198 | |
| 646 | S | B | 0.0000 | |
| 647 | K | B | -3.4724 | |
| 648 | K | B | -3.5866 | |
| 649 | E | B | -3.6713 | |
| 650 | M | B | 0.0000 | |
| 651 | Q | B | -2.1386 | |
| 652 | P | B | 0.0000 | |
| 653 | T | B | 0.0000 | |
| 654 | H | B | -0.8667 | |
| 655 | P | B | -0.6289 | |
| 656 | I | B | -0.3976 | |
| 657 | R | B | -0.8332 | |
| 658 | L | B | 0.0000 | |
| 659 | G | B | -0.0532 | |
| 660 | L | B | 0.0000 | |
| 661 | A | B | 0.0000 | |
| 662 | L | B | -0.0604 | |
| 663 | N | B | -0.0381 | |
| 664 | F | B | 0.0000 | |
| 665 | S | B | 0.0000 | |
| 666 | V | B | -0.2135 | |
| 667 | F | B | 0.0000 | |
| 668 | Y | B | 0.0000 | |
| 669 | Y | B | -1.0979 | |
| 670 | E | B | -1.9315 | |
| 671 | I | B | 0.0000 | |
| 672 | L | B | -0.6858 | |
| 673 | N | B | -1.9148 | |
| 674 | N | B | -1.5562 | |
| 675 | P | B | -1.3063 | |
| 676 | E | B | -1.6928 | |
| 677 | L | B | -0.3609 | |
| 678 | A | B | 0.0000 | |
| 679 | C | B | -0.8486 | |
| 680 | T | B | -0.5923 | |
| 681 | L | B | -0.2173 | |
| 682 | A | B | 0.0000 | |
| 683 | K | B | -1.9119 | |
| 684 | T | B | -1.0731 | |
| 685 | A | B | -0.9547 | |
| 686 | F | B | -1.1544 | |
| 687 | D | B | -1.7290 | |
| 688 | E | B | -1.4801 | |
| 689 | A | B | 0.0000 | |
| 690 | I | B | 0.3249 | |
| 691 | A | B | -0.6109 | |
| 692 | E | B | -1.6624 | |
| 693 | L | B | -0.5067 | |
| 694 | D | B | -1.7878 | |
| 695 | T | B | -1.3384 | |
| 696 | L | B | -1.7014 | |
| 697 | N | B | -2.7917 | |
| 698 | E | B | -3.3278 | |
| 699 | D | B | -3.4062 | |
| 700 | S | B | -2.6832 | |
| 701 | Y | B | -1.9533 | |
| 702 | K | B | -2.7284 | |
| 703 | D | B | -2.3414 | |
| 704 | S | B | 0.0000 | |
| 705 | T | B | -0.4740 | |
| 706 | L | B | -0.2723 | |
| 707 | I | B | -0.6226 | |
| 708 | M | B | 0.0000 | |
| 709 | Q | B | -1.5179 | |
| 710 | L | B | -0.7753 | |
| 711 | L | B | 0.0000 | |
| 712 | R | B | -2.7267 | |
| 713 | D | B | -2.0279 | |
| 714 | N | B | -0.9051 | |
| 715 | L | B | 0.0000 | |
| 716 | T | B | -0.9204 | |
| 717 | L | B | 0.4420 | |
| 718 | W | B | -0.1106 | |
| 719 | T | B | -0.6045 | |
| 720 | S | B | -0.6445 | |
| 721 | D | B | -1.8378 | |
| 722 | S | B | -1.6070 | |
| 723 | A | B | -1.3247 | |
| 724 | G | B | -1.9687 | |
| 725 | E | B | -2.7884 | |
| 726 | E | B | -2.8868 | |
| 727 | C | B | -1.4831 | |
| 728 | D | B | -1.8093 | |
| 729 | A | B | -0.8659 | |
| 730 | A | B | -0.2911 |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine