==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUN-07 2QFE . COMPND 2 MOLECULE: CALPAIN-7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.WALKER,D.CUERRIER,R.RAVULAPALLI,J.WEIGELT, . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 40.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 17 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 1 1 1 1 1 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 . 0 0 0 1 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 1 675 A H 0 0 155 0, 0.0 17,-0.1 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 140.4 26.1 19.3 23.8 2 676 A S B -A 17 0A 74 15,-0.5 15,-2.2 1,-0.1 2,-0.3 -0.102 360.0-104.2 -79.3-168.7 27.0 22.6 25.4 3 677 A S - 0 0 73 13,-0.2 13,-0.2 1,-0.2 -1,-0.1 -0.805 19.3-129.4-117.7 160.3 24.5 24.7 27.3 4 678 A G - 0 0 14 -2,-0.3 2,-0.7 123,-0.1 -1,-0.2 0.231 48.9 -68.9 -83.8-147.8 22.6 27.9 26.6 5 679 A L + 0 0 116 2,-0.0 -1,-0.1 121,-0.0 121,-0.0 -0.899 64.8 154.8-118.8 97.7 22.4 31.0 28.8 6 680 A V - 0 0 46 -2,-0.7 3,-0.1 9,-0.1 9,-0.0 -0.964 45.9-104.2-127.4 138.0 20.4 30.2 31.9 7 681 A P > - 0 0 101 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.330 44.6 -98.3 -57.2 148.5 20.6 32.0 35.3 8 682 A R T 3 S+ 0 0 180 1,-0.3 5,-0.0 2,-0.0 0, 0.0 -0.444 113.6 20.0 -60.6 132.2 22.4 30.1 38.0 9 683 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -2,-0.1 4,-0.1 0.661 88.1 162.1 80.2 13.1 19.7 28.4 40.1 10 684 A S < - 0 0 23 -3,-1.8 -1,-0.2 2,-0.2 -4,-0.0 -0.309 52.2-121.0 -55.1 147.7 17.0 28.6 37.4 11 685 A P S S+ 0 0 108 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.742 105.1 79.7 -59.5 -22.3 14.1 26.3 37.7 12 686 A Y + 0 0 31 1,-0.2 -2,-0.2 -5,-0.1 118,-0.2 -0.801 64.2 178.5 -87.3 103.2 15.2 24.9 34.4 13 687 A T + 0 0 100 -2,-1.1 2,-0.4 116,-0.2 117,-0.2 0.564 59.2 54.7 -88.3 -8.6 18.0 22.8 35.7 14 688 A L E - B 0 129A 67 115,-2.4 115,-2.3 -3,-0.1 2,-0.3 -0.958 58.0-177.0-127.1 141.0 19.1 21.3 32.3 15 689 A S E - B 0 128A 24 -2,-0.4 2,-0.5 113,-0.2 113,-0.2 -0.902 2.8-172.4-140.9 112.9 20.1 23.3 29.1 16 690 A K E - B 0 127A 63 111,-2.7 111,-2.6 -2,-0.3 2,-0.4 -0.932 10.9-156.3-110.9 119.1 20.9 21.5 25.9 17 691 A R E -AB 2 126A 33 -15,-2.2 -15,-0.5 -2,-0.5 2,-0.4 -0.852 7.0-167.6-102.6 130.4 22.3 23.6 23.0 18 692 A I E - B 0 125A 10 107,-3.0 107,-2.6 -2,-0.4 2,-0.5 -0.891 10.0-153.5-109.1 133.5 22.1 22.7 19.3 19 693 A N E + B 0 124A 121 -2,-0.4 2,-0.2 105,-0.2 105,-0.2 -0.963 29.7 146.7-111.7 129.5 24.2 24.7 16.9 20 694 A G E - B 0 123A 12 103,-2.5 103,-2.4 -2,-0.5 2,-0.3 -0.739 26.9-145.1-139.2-171.2 23.0 25.0 13.4 21 695 A K E - B 0 122A 130 101,-0.3 2,-0.5 -2,-0.2 99,-0.1 -0.990 18.1-123.5-157.1 160.4 23.0 27.3 10.4 22 696 A W E + B 0 121A 1 99,-2.7 99,-1.8 -2,-0.3 2,-0.3 -0.933 47.8 151.3 -98.8 125.2 20.9 28.4 7.4 23 697 A S > - 0 0 43 -2,-0.5 3,-1.4 97,-0.2 2,-0.2 -0.877 54.1 -30.4-163.6 135.6 22.9 28.0 4.3 24 698 A G G > S+ 0 0 40 -2,-0.3 3,-1.8 1,-0.3 94,-0.2 -0.466 132.0 4.9 60.8-126.8 22.2 27.3 0.6 25 699 A Q G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -2,-0.2 93,-0.1 0.773 127.8 62.4 -52.9 -37.6 19.0 25.3 0.3 26 700 A S G < S+ 0 0 11 -3,-1.4 2,-1.9 1,-0.2 -1,-0.3 0.519 75.0 91.8 -79.0 -6.0 18.2 25.4 4.1 27 701 A A < + 0 0 5 -3,-1.8 91,-2.8 1,-0.2 -1,-0.2 -0.554 52.9 150.9 -82.6 73.7 17.9 29.2 4.2 28 702 A G - 0 0 0 -2,-1.9 8,-0.2 89,-0.2 -1,-0.2 0.631 37.9-141.9 -90.5 -15.6 14.2 28.8 3.6 29 703 A G - 0 0 0 87,-0.4 87,-0.2 -3,-0.2 86,-0.2 -0.129 38.4 -40.9 76.6-178.5 12.6 31.8 5.2 30 704 A C > - 0 0 3 85,-2.4 3,-2.1 83,-0.1 7,-0.2 -0.073 68.7 -83.0 -79.7-177.5 9.3 31.9 7.2 31 705 A G T 3 S+ 0 0 37 1,-0.3 6,-0.1 6,-0.1 -1,-0.1 0.684 121.2 69.9 -60.5 -23.5 5.9 30.3 6.4 32 706 A N T 3 S+ 0 0 121 1,-0.2 2,-1.6 83,-0.2 -1,-0.3 0.802 87.7 68.8 -62.1 -28.5 4.9 33.1 4.0 33 707 A F X> + 0 0 70 -3,-2.1 4,-2.6 1,-0.2 3,-1.2 -0.611 67.4 170.5 -94.8 76.0 7.6 31.7 1.7 34 708 A Q T 34 + 0 0 133 -2,-1.6 4,-0.4 1,-0.3 -1,-0.2 0.783 67.9 61.4 -69.4 -24.8 5.6 28.6 1.0 35 709 A E T 34 S+ 0 0 115 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.850 123.6 16.6 -69.0 -27.0 7.9 27.4 -1.8 36 710 A T T X4 S+ 0 0 40 -3,-1.2 3,-2.0 -8,-0.2 4,-0.3 0.546 94.0 92.8-127.7 -6.7 10.9 27.2 0.5 37 711 A H G >< S+ 0 0 20 -4,-2.6 3,-1.8 1,-0.3 -9,-0.2 0.886 85.4 60.0 -58.0 -40.9 9.9 27.2 4.2 38 712 A K G 3 S+ 0 0 143 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.591 93.8 67.9 -66.6 -5.6 9.8 23.4 4.3 39 713 A N G < S+ 0 0 57 -3,-2.0 -1,-0.3 -11,-0.1 -2,-0.2 0.559 76.2 109.1 -88.1 -7.1 13.6 23.4 3.3 40 714 A N S < S- 0 0 0 -3,-1.8 -13,-0.1 -4,-0.3 73,-0.1 -0.201 85.8 -80.6 -61.8 161.8 14.6 24.9 6.7 41 715 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.269 46.1-156.0 -58.8 149.8 16.5 22.7 9.1 42 716 A I - 0 0 29 69,-0.2 96,-2.9 -3,-0.1 97,-1.5 -0.997 8.6-170.0-132.3 127.4 14.4 20.4 11.2 43 717 A Y E -EF 110 137B 8 67,-2.5 67,-2.8 -2,-0.4 2,-0.4 -0.862 9.7-150.8-110.4 151.7 15.3 19.0 14.6 44 718 A Q E -EF 109 136B 45 92,-3.1 92,-2.3 -2,-0.3 2,-0.3 -0.979 14.9-177.2-127.0 132.6 13.3 16.3 16.3 45 719 A F E -EF 108 135B 0 63,-3.0 63,-2.6 -2,-0.4 2,-0.5 -0.952 18.0-138.2-132.6 154.4 13.1 15.9 20.1 46 720 A H E -EF 107 134B 63 88,-2.2 2,-0.6 -2,-0.3 88,-0.6 -0.939 3.9-157.2-112.3 130.7 11.5 13.4 22.5 47 721 A I E -E 106 0B 12 59,-3.1 59,-2.0 -2,-0.5 3,-0.1 -0.950 10.7-176.9-101.7 115.0 9.7 14.4 25.7 48 722 A E S S+ 0 0 78 -2,-0.6 2,-0.4 84,-0.4 -1,-0.1 0.838 73.0 24.5 -85.9 -36.6 9.9 11.4 27.9 49 723 A K S S- 0 0 135 55,-0.1 -1,-0.3 57,-0.1 82,-0.1 -0.997 90.8-110.3-129.3 131.2 7.8 12.9 30.8 50 724 A T + 0 0 86 -2,-0.4 52,-0.1 -3,-0.1 53,-0.1 -0.233 69.8 106.6 -54.2 139.5 5.3 15.7 30.4 51 725 A G E -C 103 0A 16 52,-1.2 52,-1.2 49,-0.2 2,-0.3 -0.973 67.1 -28.8 165.5-171.7 6.7 18.8 32.1 52 726 A P E + 0 0 34 0, 0.0 78,-0.6 0, 0.0 2,-0.4 -0.570 48.2 171.3 -83.2 139.5 8.3 22.2 31.4 53 727 A L E -CD 100 129A 2 47,-1.6 47,-3.8 -2,-0.3 2,-0.5 -0.997 10.3-172.2-139.7 131.1 10.3 23.0 28.4 54 728 A L E -CD 99 128A 19 74,-2.4 74,-3.0 -2,-0.4 2,-0.5 -0.992 8.5-163.4-125.0 125.8 11.6 26.4 27.2 55 729 A I E -CD 98 127A 2 43,-2.9 43,-2.3 -2,-0.5 2,-0.4 -0.904 4.3-169.1-110.0 129.6 13.1 26.7 23.8 56 730 A E E -CD 97 126A 27 70,-2.2 70,-3.0 -2,-0.5 2,-0.4 -0.960 3.9-162.7-119.1 138.4 15.3 29.7 22.8 57 731 A L E -CD 96 125A 0 39,-2.7 39,-2.1 -2,-0.4 2,-0.4 -0.985 7.7-175.8-117.8 129.4 16.5 30.5 19.3 58 732 A R E +CD 95 124A 59 66,-2.5 66,-2.1 -2,-0.4 37,-0.2 -0.990 12.2 154.6-121.6 135.1 19.4 32.9 18.7 59 733 A G - 0 0 18 35,-2.3 64,-0.2 -2,-0.4 6,-0.1 -0.719 56.5 -42.4-134.6-172.3 20.6 34.1 15.4 60 734 A P > - 0 0 40 0, 0.0 3,-2.1 0, 0.0 34,-0.7 -0.237 53.8-119.3 -53.8 143.0 22.5 37.2 14.2 61 735 A R T 3 S+ 0 0 180 1,-0.3 34,-0.1 32,-0.1 -2,-0.0 0.837 113.6 54.6 -48.7 -35.6 21.2 40.5 15.7 62 736 A Q T 3 S+ 0 0 153 31,-0.1 2,-0.4 32,-0.1 -1,-0.3 0.446 95.4 80.2 -89.2 1.5 20.4 41.8 12.2 63 737 A Y S < S- 0 0 56 -3,-2.1 31,-2.9 29,-0.0 2,-0.6 -0.856 74.1-136.2-104.8 141.2 18.2 38.8 11.3 64 738 A S E -G 93 0B 34 -2,-0.4 51,-2.1 29,-0.3 29,-0.3 -0.878 34.9-171.2 -98.5 129.1 14.6 38.4 12.4 65 739 A V E +GH 92 114B 0 27,-2.9 27,-2.0 -2,-0.6 2,-0.3 -0.762 19.1 159.1-123.7 159.5 14.0 34.9 13.6 66 740 A G E - H 0 113B 0 47,-2.1 47,-3.0 -2,-0.3 2,-0.3 -0.967 16.1-151.3-169.2 162.8 11.3 32.5 14.6 67 741 A F E - H 0 112B 3 -2,-0.3 21,-2.5 45,-0.2 2,-0.3 -0.996 6.3-143.4-144.2 161.8 10.5 28.8 15.0 68 742 A E E -IH 87 111B 38 43,-1.7 43,-2.5 -2,-0.3 2,-0.4 -0.902 8.3-152.4-119.2 145.2 7.6 26.4 14.9 69 743 A V E -IH 86 110B 0 17,-2.9 17,-2.7 -2,-0.3 2,-0.4 -0.992 15.1-166.0-116.2 128.7 7.1 23.3 17.0 70 744 A V E -IH 85 109B 23 39,-2.9 39,-2.6 -2,-0.4 2,-0.6 -0.954 20.7-125.9-120.0 130.9 5.1 20.5 15.4 71 745 A T E + H 0 108B 26 13,-2.7 37,-0.2 -2,-0.4 3,-0.1 -0.678 30.9 171.8 -74.6 121.0 3.6 17.5 17.3 72 746 A V E - 0 0 74 35,-2.6 2,-0.3 -2,-0.6 36,-0.2 0.853 65.8 -3.7 -90.1 -48.6 4.7 14.4 15.5 73 747 A S E + H 0 107B 37 34,-1.9 34,-2.8 0, 0.0 2,-0.5 -0.936 52.3 174.3-154.0 117.6 3.5 11.6 18.0 74 748 A T - 0 0 58 -2,-0.3 32,-0.2 32,-0.2 -3,-0.0 -0.990 6.5-174.0-124.4 124.2 1.8 11.8 21.4 75 749 A L + 0 0 163 -2,-0.5 -1,-0.1 30,-0.3 31,-0.1 0.772 58.3 89.0 -90.3 -26.2 0.8 8.3 22.6 76 750 A G S S- 0 0 58 29,-0.4 -2,-0.1 1,-0.1 3,-0.1 -0.120 94.1 -78.2 -59.8 164.9 -1.1 9.5 25.7 77 751 A D - 0 0 66 1,-0.1 2,-1.3 0, 0.0 -1,-0.1 -0.237 63.6 -76.3 -65.9 159.9 -4.7 10.4 25.6 78 752 A P - 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.400 62.9-178.7 -67.3 85.5 -5.9 13.8 24.1 79 753 A G > - 0 0 42 -2,-1.3 3,-1.6 1,-0.1 -3,-0.0 -0.281 40.9-103.8 -86.6 170.2 -5.1 16.4 26.8 80 754 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.780 118.1 56.4 -58.5 -33.1 -5.7 20.2 27.0 81 755 A H T 3 S+ 0 0 91 21,-0.1 2,-0.1 2,-0.0 21,-0.1 0.384 83.7 115.5 -86.9 3.1 -2.0 21.0 26.4 82 756 A G < + 0 0 43 -3,-1.6 2,-0.3 21,-0.1 21,-0.0 -0.419 39.4 165.2 -68.1 147.7 -2.1 19.0 23.1 83 757 A F - 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