==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-AUG-12 4GK4 . COMPND 2 MOLECULE: EPH RECEPTOR A3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.DONG,A.CAFLISCH . 275 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13565.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 0 0 1 1 0 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 609 A V >> 0 0 72 0, 0.0 3,-1.0 0, 0.0 4,-0.9 0.000 360.0 360.0 360.0 -36.6 -16.7 24.5 50.7 2 610 A H T 34 + 0 0 80 1,-0.2 5,-0.1 2,-0.2 78,-0.0 0.442 360.0 82.2 -79.1 3.2 -17.9 24.6 47.1 3 611 A E T 34 S+ 0 0 156 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.880 113.7 12.2 -67.7 -40.2 -15.2 27.1 46.4 4 612 A F T <4 S+ 0 0 77 -3,-1.0 2,-0.4 1,-0.1 -2,-0.2 0.340 123.7 67.9-119.3 2.8 -12.7 24.2 46.0 5 613 A A S < S- 0 0 1 -4,-0.9 2,-0.2 63,-0.0 -1,-0.1 -0.962 71.3-141.9-130.0 115.8 -15.0 21.2 45.8 6 614 A K - 0 0 118 -2,-0.4 74,-2.3 72,-0.1 2,-0.4 -0.528 24.8-117.7 -74.3 138.9 -17.3 20.6 42.9 7 615 A E B -a 80 0A 46 72,-0.2 2,-0.3 -2,-0.2 74,-0.2 -0.650 31.5-150.4 -73.2 125.8 -20.7 19.2 43.8 8 616 A L - 0 0 19 72,-3.2 2,-0.5 -2,-0.4 75,-0.2 -0.749 14.6-118.6 -97.4 150.5 -21.1 15.8 42.2 9 617 A D > - 0 0 97 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.760 17.9-140.0 -85.4 128.1 -24.4 14.3 41.1 10 618 A A G > S+ 0 0 41 -2,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.747 98.2 68.8 -62.9 -25.1 -25.1 11.1 43.1 11 619 A T G 3 S+ 0 0 116 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.707 95.2 57.4 -65.5 -19.4 -26.5 9.3 40.0 12 620 A N G < S+ 0 0 65 -3,-2.1 21,-2.3 20,-0.0 2,-0.5 0.475 95.6 82.0 -88.3 -2.4 -22.9 9.4 38.6 13 621 A I E < -B 32 0A 22 -3,-1.6 2,-0.5 -4,-0.2 19,-0.2 -0.892 56.1-172.3-110.3 124.8 -21.6 7.5 41.6 14 622 A S E -B 31 0A 46 17,-2.5 17,-2.1 -2,-0.5 2,-0.5 -0.952 14.2-147.6-110.6 134.9 -21.8 3.7 42.0 15 623 A I E +B 30 0A 76 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.893 23.3 167.9-102.5 126.8 -20.8 2.2 45.3 16 624 A D E + 0 0 101 13,-2.6 2,-0.2 -2,-0.5 14,-0.2 0.401 58.6 5.9-122.1 -0.3 -19.3 -1.3 44.9 17 625 A K E -B 29 0A 108 12,-1.2 12,-2.7 0, 0.0 2,-0.7 -0.803 56.1-123.3 178.1 138.2 -17.8 -2.1 48.3 18 626 A V E +B 28 0A 91 10,-0.2 10,-0.3 -2,-0.2 3,-0.1 -0.833 35.6 172.0 -85.0 114.8 -17.4 -1.0 52.0 19 627 A V E - 0 0 77 8,-2.2 2,-0.3 -2,-0.7 9,-0.2 0.539 53.0 -29.5-108.6 -10.9 -13.6 -0.9 52.3 20 628 A G E -B 27 0A 30 7,-1.8 7,-3.9 2,-0.0 2,-0.5 -0.983 56.0 -98.8 173.5 177.8 -13.1 0.7 55.8 21 629 A A E -B 26 0A 94 5,-0.3 5,-0.2 -2,-0.3 24,-0.0 -0.962 33.8-165.7-130.1 116.6 -14.4 2.9 58.6 22 630 A G - 0 0 37 3,-2.4 3,-0.3 -2,-0.5 5,-0.1 -0.159 41.9 -89.4 -90.2-175.5 -13.1 6.5 59.0 23 631 A E S S+ 0 0 166 1,-0.2 3,-0.1 -2,-0.0 -1,-0.1 0.699 127.0 32.3 -65.2 -19.0 -13.4 9.0 61.8 24 632 A F S S- 0 0 24 1,-0.5 24,-3.3 22,-0.1 2,-0.3 0.466 128.7 -48.9-120.8 -7.0 -16.6 10.3 60.3 25 633 A G S S- 0 0 16 -3,-0.3 -3,-2.4 22,-0.3 -1,-0.5 -0.897 82.9 -28.8 150.7 178.1 -18.3 7.3 58.7 26 634 A E E -B 21 0A 99 -2,-0.3 20,-2.7 -5,-0.2 2,-0.4 -0.038 45.8-141.8 -59.4 158.6 -17.7 4.4 56.3 27 635 A V E +BC 20 45A 36 -7,-3.9 -8,-2.2 18,-0.2 -7,-1.8 -0.997 28.4 175.7-120.6 129.3 -15.1 4.4 53.6 28 636 A C E -BC 18 44A 6 16,-3.2 16,-2.8 -2,-0.4 2,-0.3 -0.717 24.6-131.8-124.5 171.9 -16.1 2.7 50.3 29 637 A S E +BC 17 43A 7 -12,-2.7 -13,-2.6 14,-0.2 -12,-1.2 -0.884 42.6 119.9-120.0 158.8 -14.9 2.0 46.8 30 638 A G E -BC 15 42A 7 12,-2.0 12,-2.5 -2,-0.3 2,-0.3 -0.924 51.9 -71.0 179.5-153.6 -16.8 2.5 43.6 31 639 A R E -BC 14 41A 99 -17,-2.1 -17,-2.5 -2,-0.3 2,-0.4 -0.953 24.2-155.2-134.3 149.1 -16.9 4.3 40.3 32 640 A L E -BC 13 40A 2 8,-2.5 8,-2.4 -2,-0.3 2,-0.6 -0.995 11.7-144.8-125.6 128.8 -17.5 7.9 39.2 33 641 A K E - C 0 39A 68 -21,-2.3 6,-0.2 -2,-0.4 5,-0.1 -0.846 21.8-147.2 -91.4 121.5 -18.8 8.8 35.8 34 642 A L > - 0 0 37 4,-3.1 3,-2.5 -2,-0.6 -1,-0.0 -0.379 28.9-101.5 -83.6 165.2 -17.3 12.1 34.7 35 643 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.837 125.2 58.9 -57.5 -33.8 -19.0 14.7 32.5 36 644 A S T 3 S- 0 0 89 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.372 120.2-113.7 -70.7 2.6 -17.0 13.4 29.5 37 645 A K S < S+ 0 0 146 -3,-2.5 2,-0.1 1,-0.3 -1,-0.1 0.312 72.5 138.8 77.7 -8.9 -18.6 10.0 30.2 38 646 A K - 0 0 134 -5,-0.1 -4,-3.1 1,-0.0 2,-0.4 -0.429 45.7-141.2 -64.0 142.6 -15.2 8.5 31.2 39 647 A E E -C 33 0A 87 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.921 21.2-177.8-113.2 133.5 -15.6 6.2 34.3 40 648 A I E -C 32 0A 32 -8,-2.4 -8,-2.5 -2,-0.4 2,-0.3 -0.916 30.3-109.2-128.7 154.1 -12.9 6.1 37.0 41 649 A S E -C 31 0A 63 -2,-0.3 52,-1.0 -10,-0.2 2,-0.3 -0.605 44.0-176.8 -77.1 141.6 -12.4 4.2 40.2 42 650 A V E -CD 30 92A 0 -12,-2.5 -12,-2.0 -2,-0.3 2,-0.4 -0.975 30.0-128.7-139.8 154.2 -12.9 6.2 43.3 43 651 A A E -CD 29 91A 20 48,-2.1 48,-2.6 -2,-0.3 2,-0.5 -0.847 29.1-157.6 -92.1 140.8 -12.7 6.1 47.1 44 652 A I E -CD 28 90A 0 -16,-2.8 -16,-3.2 -2,-0.4 2,-0.5 -0.959 7.9-163.6-130.5 112.2 -15.8 7.3 48.7 45 653 A K E -CD 27 89A 52 44,-3.1 44,-2.5 -2,-0.5 2,-0.3 -0.847 14.0-158.1 -94.3 127.2 -16.0 8.6 52.3 46 654 A T E - D 0 88A 14 -20,-2.7 2,-0.5 -2,-0.5 42,-0.2 -0.782 15.7-125.6-104.7 149.7 -19.4 8.8 53.8 47 655 A L - 0 0 5 40,-2.3 40,-0.3 -2,-0.3 -22,-0.3 -0.818 40.6-106.2 -91.7 129.4 -20.6 11.0 56.7 48 656 A K > - 0 0 98 -24,-3.3 3,-1.3 -2,-0.5 39,-0.1 -0.090 34.6-100.2 -58.5 147.9 -22.3 8.9 59.3 49 657 A V T 3 S+ 0 0 141 1,-0.2 -1,-0.1 37,-0.1 -3,-0.0 -0.451 110.3 32.0 -64.2 139.8 -26.1 9.0 59.7 50 658 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.573 83.9 169.6 89.3 10.7 -27.1 11.2 62.6 51 659 A Y < - 0 0 55 -3,-1.3 -1,-0.2 -4,-0.1 2,-0.2 -0.190 31.0-127.2 -54.6 143.6 -24.1 13.5 62.1 52 660 A T > - 0 0 72 1,-0.1 4,-1.7 0, 0.0 5,-0.2 -0.525 27.4-106.3 -82.0 162.0 -24.2 16.7 64.1 53 661 A E H > S+ 0 0 136 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.840 121.1 56.0 -56.9 -34.5 -23.8 20.0 62.3 54 662 A K H >> S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 3,-0.9 0.986 104.7 49.4 -61.7 -60.6 -20.2 20.2 63.8 55 663 A Q H 3> S+ 0 0 54 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.819 108.4 56.0 -43.7 -39.3 -19.1 16.9 62.4 56 664 A R H 3X S+ 0 0 80 -4,-1.7 4,-2.3 2,-0.2 -1,-0.3 0.891 108.0 47.4 -66.1 -38.6 -20.5 17.9 59.0 57 665 A R H < S+ 0 0 26 -4,-1.7 3,-2.1 2,-0.2 4,-0.4 0.960 115.2 48.2 -68.8 -52.3 -8.3 21.8 52.0 66 674 A M H >< S+ 0 0 8 -4,-2.8 3,-1.8 1,-0.3 11,-0.3 0.879 104.6 62.3 -56.7 -37.7 -7.8 18.8 49.7 67 675 A G T 3< S+ 0 0 24 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.613 93.0 65.8 -67.0 -10.6 -9.6 20.7 46.9 68 676 A Q T < S+ 0 0 52 -3,-2.1 2,-0.4 -4,-0.2 -1,-0.3 0.665 91.5 73.5 -85.7 -16.4 -6.9 23.3 47.0 69 677 A F < + 0 0 11 -3,-1.8 2,-0.4 -4,-0.4 8,-0.4 -0.840 48.9 177.8-106.1 133.5 -4.1 21.0 45.8 70 678 A D + 0 0 123 -2,-0.4 5,-0.1 6,-0.1 6,-0.1 -0.867 36.2 124.8-129.5 98.1 -3.7 19.7 42.3 71 679 A H > - 0 0 40 -2,-0.4 3,-1.7 3,-0.4 -2,-0.1 -0.992 66.6-119.8-157.6 142.5 -0.6 17.5 42.3 72 680 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.730 113.4 48.1 -60.7 -21.0 0.4 14.0 41.3 73 681 A N T 3 S+ 0 0 16 80,-0.1 81,-2.7 2,-0.1 2,-0.4 0.137 98.4 75.1-112.2 21.2 1.5 13.2 44.8 74 682 A I B < S-f 154 0B 1 -3,-1.7 -3,-0.4 79,-0.3 81,-0.2 -0.996 96.7 -97.2-126.5 134.8 -1.4 14.6 46.8 75 683 A I - 0 0 4 79,-2.6 2,-0.4 -2,-0.4 -6,-0.1 -0.271 43.7-126.4 -54.7 126.9 -4.7 12.6 46.9 76 684 A R - 0 0 104 -4,-0.1 16,-2.1 -6,-0.1 2,-0.5 -0.653 11.9-141.6 -84.1 125.9 -7.0 14.1 44.3 77 685 A L E - E 0 91A 20 -2,-0.4 14,-0.3 -8,-0.4 -71,-0.1 -0.762 14.4-174.1 -82.5 124.8 -10.5 15.3 45.3 78 686 A E E - 0 0 14 12,-3.2 2,-0.3 -2,-0.5 13,-0.2 0.780 55.6 -83.5 -85.7 -31.3 -13.1 14.5 42.6 79 687 A G E - E 0 90A 0 11,-1.6 11,-2.7 -74,-0.1 -1,-0.4 -0.961 39.9 -90.8 155.6-170.8 -15.8 16.3 44.5 80 688 A V E -aE 7 89A 0 -74,-2.3 -72,-3.2 -2,-0.3 2,-0.5 -0.936 13.3-141.9-134.5 154.4 -18.5 16.2 47.2 81 689 A V E + E 0 88A 1 7,-2.2 7,-2.2 -2,-0.3 -72,-0.1 -0.980 42.1 137.9-116.8 117.2 -22.1 15.2 47.6 82 690 A T + 0 0 15 -2,-0.5 -1,-0.1 5,-0.2 5,-0.1 0.518 58.7 72.3-128.5 -22.2 -24.0 17.5 50.0 83 691 A K S S+ 0 0 169 -75,-0.2 2,-0.3 2,-0.0 4,-0.1 0.459 109.8 28.8 -82.4 -1.5 -27.3 18.2 48.3 84 692 A S S S- 0 0 54 2,-0.1 4,-0.2 4,-0.1 -3,-0.0 -0.947 97.6 -63.8-144.2 171.7 -28.4 14.6 49.0 85 693 A K S S+ 0 0 133 -2,-0.3 2,-0.1 2,-0.1 -3,-0.1 -0.822 101.7 39.4-116.6 152.8 -27.6 12.0 51.7 86 694 A P S S- 0 0 64 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.582 88.4-129.4 -66.9 153.1 -25.4 10.5 52.8 87 695 A V - 0 0 0 -40,-0.3 -40,-2.3 -2,-0.1 2,-0.3 -0.515 35.6-164.6 -68.0 140.0 -23.0 13.4 52.5 88 696 A M E -DE 46 81A 21 -7,-2.2 -7,-2.2 -42,-0.2 2,-0.5 -0.961 28.8-153.7-137.3 147.9 -19.9 12.1 50.6 89 697 A I E -DE 45 80A 2 -44,-2.5 -44,-3.1 -2,-0.3 2,-0.5 -0.990 22.3-160.7-115.8 125.8 -16.2 13.0 49.8 90 698 A V E +DE 44 79A 0 -11,-2.7 -12,-3.2 -2,-0.5 -11,-1.6 -0.924 17.4 163.5-115.3 125.4 -15.0 11.4 46.6 91 699 A T E -DE 43 77A 19 -48,-2.6 -48,-2.1 -2,-0.5 -14,-0.2 -0.816 45.2 -72.6-132.4 168.8 -11.3 11.0 45.8 92 700 A E E -D 42 0A 31 -16,-2.1 2,-0.4 -2,-0.3 -50,-0.2 -0.266 55.5-109.2 -59.4 153.5 -9.1 9.0 43.5 93 701 A Y - 0 0 79 -52,-1.0 2,-0.6 -51,-0.1 -52,-0.1 -0.733 23.9-161.3 -91.8 133.6 -8.8 5.4 44.3 94 702 A M > - 0 0 12 -2,-0.4 3,-1.6 1,-0.1 52,-0.2 -0.927 4.4-161.7-115.9 103.7 -5.5 4.0 45.6 95 703 A E T 3 S+ 0 0 119 -2,-0.6 52,-0.2 1,-0.3 -1,-0.1 0.782 84.4 49.9 -63.3 -30.4 -5.5 0.3 45.1 96 704 A N T 3 S- 0 0 51 50,-1.7 -1,-0.3 1,-0.2 51,-0.2 0.326 94.2-152.0 -96.6 11.0 -2.8 -0.6 47.6 97 705 A G < + 0 0 29 -3,-1.6 49,-2.5 49,-0.2 -1,-0.2 -0.128 52.8 8.7 65.0-152.7 -4.2 1.4 50.6 98 706 A S B > -G 145 0B 36 47,-0.2 4,-2.2 1,-0.1 47,-0.2 -0.395 67.0-132.0 -67.1 142.8 -2.1 2.9 53.4 99 707 A L H > S+ 0 0 0 45,-2.7 4,-2.9 42,-1.0 5,-0.2 0.875 102.1 51.7 -66.8 -39.9 1.6 2.8 52.9 100 708 A D H > S+ 0 0 18 41,-0.8 4,-1.7 44,-0.3 -1,-0.2 0.926 113.6 42.3 -66.9 -44.0 2.4 1.4 56.4 101 709 A S H > S+ 0 0 52 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.875 114.6 53.6 -71.4 -32.0 0.0 -1.5 56.2 102 710 A F H >< S+ 0 0 13 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.956 109.9 46.0 -61.6 -50.1 1.1 -2.1 52.6 103 711 A L H >< S+ 0 0 1 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.822 104.7 62.0 -65.1 -31.1 4.8 -2.3 53.5 104 712 A R H >< S+ 0 0 127 -4,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.780 101.6 52.9 -65.6 -25.5 4.1 -4.6 56.5 105 713 A K T << S+ 0 0 151 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.557 114.0 43.4 -83.8 -9.0 2.8 -7.2 54.1 106 714 A H T X S+ 0 0 46 -3,-1.3 3,-3.1 -4,-0.3 4,-0.4 -0.071 76.2 179.7-132.2 34.4 5.9 -7.0 52.0 107 715 A D T < S- 0 0 109 -3,-0.6 -3,-0.1 1,-0.3 93,-0.1 -0.108 77.8 -11.5 -43.9 116.6 8.8 -7.0 54.5 108 716 A A T 3 S+ 0 0 75 -5,-0.1 -1,-0.3 1,-0.1 -5,-0.0 0.647 103.4 116.9 65.3 19.2 12.1 -6.8 52.6 109 717 A Q < + 0 0 125 -3,-3.1 2,-0.2 -6,-0.2 -2,-0.1 0.548 58.0 71.5 -95.4 -8.0 10.3 -7.6 49.3 110 718 A F S S- 0 0 38 -4,-0.4 2,-0.2 -7,-0.1 3,-0.0 -0.671 80.6-113.4-104.5 161.9 11.1 -4.3 47.5 111 719 A T > - 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