==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-APR-01 1HB0 . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR R.C.WILMOUTH,K.EDMAN,R.NEUTZE,P.A.WRIGHT,I.J.CLIFTON, . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 65.8 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 . 81 33.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 . 20 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.0 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+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 1 0 0 0 0 0 1 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 . 5 2 2 6 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 16 B V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 115.6 -11.2 33.4 35.2 2 17 B V B 3 +A 182 0A 10 180,-2.3 180,-1.7 1,-0.2 134,-0.2 -0.795 360.0 9.1 -93.7 134.3 -14.7 34.1 34.0 3 18 B G T 3 S+ 0 0 39 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.798 99.8 131.7 69.9 27.7 -16.0 37.6 34.7 4 19 B G < - 0 0 20 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.293 49.4-131.2 -98.6-171.8 -12.7 38.9 35.9 5 20 B T E -B 147 0B 84 142,-2.5 142,-2.5 -2,-0.1 2,-0.2 -0.908 37.8 -82.6-135.6 160.9 -10.7 42.0 35.0 6 21 B E E -B 146 0B 114 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.490 47.3-130.7 -69.1 131.3 -7.0 42.4 34.0 7 22 B A - 0 0 1 138,-2.5 2,-0.1 -2,-0.2 138,-0.1 -0.544 26.0-101.7 -81.4 148.6 -4.8 42.4 37.0 8 23 B Q > - 0 0 125 -2,-0.2 3,-2.4 1,-0.1 4,-0.5 -0.466 37.2-107.9 -69.6 142.7 -2.2 45.1 37.4 9 24 B R T 3 S+ 0 0 106 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.740 115.5 32.8 -38.4 -39.9 1.3 44.0 36.5 10 25 B N T 3 S+ 0 0 68 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.106 90.2 97.8-112.8 23.6 2.5 44.0 40.1 11 26 B S S < S+ 0 0 47 -3,-2.4 -2,-0.1 1,-0.2 -1,-0.1 0.841 93.2 25.1 -80.7 -33.5 -0.6 43.1 42.1 12 27 B W > + 0 0 29 -4,-0.5 3,-1.8 -3,-0.2 -1,-0.2 -0.530 64.2 165.7-134.0 69.1 -0.0 39.3 42.6 13 28 B P T 3 S+ 0 0 33 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.541 74.1 62.1 -60.6 -11.8 3.8 38.6 42.5 14 29 B S T 3 S+ 0 0 9 95,-0.2 20,-2.6 97,-0.1 2,-0.2 0.559 79.6 104.8 -92.6 -8.0 3.4 35.1 44.0 15 30 B Q E < -I 33 0C 5 -3,-1.8 43,-0.5 18,-0.2 44,-0.4 -0.537 51.6-174.8 -73.6 133.5 1.3 33.9 41.0 16 31 B I E -I 32 0C 1 16,-1.9 16,-1.0 -2,-0.2 2,-0.6 -0.876 24.8-123.8-127.2 161.6 3.2 31.7 38.6 17 32 B S E -IJ 31 56C 0 39,-2.6 39,-1.9 -2,-0.3 2,-0.7 -0.932 18.5-154.3-107.7 118.0 2.4 30.0 35.3 18 33 B L E +IJ 30 55C 0 12,-3.5 11,-3.0 -2,-0.6 12,-2.1 -0.846 24.1 178.9 -93.2 116.3 2.7 26.3 35.2 19 34 B Q E -IJ 28 54C 9 35,-2.4 35,-2.5 -2,-0.7 2,-0.3 -0.865 19.6-149.0-121.2 154.1 3.4 25.2 31.6 20 35 B Y E -IJ 27 53C 72 7,-2.5 7,-2.4 -2,-0.3 2,-0.4 -0.899 29.3-105.4-119.6 149.4 4.1 22.0 29.8 21 36 B R E -I 26 0C 121 31,-2.1 2,-0.4 -2,-0.3 31,-0.3 -0.590 33.4-178.0 -77.4 129.5 6.2 21.4 26.8 22 36AB S E > -I 25 0C 59 3,-3.6 3,-1.0 -2,-0.4 2,-0.4 -0.868 60.3 -58.2-129.6 95.1 4.2 20.8 23.6 23 36BB G T 3 S- 0 0 56 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.567 119.3 -16.9 72.6-122.8 6.5 20.1 20.6 24 36CB S T 3 S+ 0 0 137 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.2 -0.031 131.7 60.5-105.4 28.0 8.8 23.0 20.1 25 37 B S E < S-I 22 0C 69 -3,-1.0 -3,-3.6 -5,-0.0 2,-0.4 -0.963 75.3-120.0-149.1 163.9 6.7 25.3 22.3 26 38 B W E -I 21 0C 94 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.849 19.8-160.7-110.5 146.1 5.3 25.7 25.8 27 39 B A E -I 20 0C 30 -7,-2.4 -7,-2.5 -2,-0.4 2,-0.2 -0.988 21.2-121.8-128.6 134.5 1.7 25.9 26.8 28 40 B H E +I 19 0C 15 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.497 38.1 160.9 -69.5 137.8 0.2 27.2 30.0 29 41 B T E + 0 0 43 -11,-3.0 2,-0.3 1,-0.4 157,-0.3 0.594 57.7 4.1-128.9 -31.0 -1.8 24.6 31.8 30 42 B a E -I 18 0C 5 -12,-2.1 -12,-3.5 157,-0.1 -1,-0.4 -0.966 59.5-122.0-153.2 166.7 -2.2 25.7 35.4 31 43 B G E +I 17 0C 0 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.473 30.5 177.0-102.5 177.1 -1.4 28.5 37.9 32 44 B G E -I 16 0C 0 -16,-1.0 -16,-1.9 -2,-0.2 2,-0.4 -0.958 26.6-113.0-167.4 175.4 0.6 28.1 41.1 33 45 B T E -IK 15 41C 0 8,-2.8 8,-3.7 -2,-0.3 2,-0.5 -0.992 20.1-134.5-129.3 126.5 1.9 30.0 44.1 34 46 B L E + K 0 40C 0 -20,-2.6 78,-3.8 -2,-0.4 6,-0.2 -0.672 33.3 163.8 -76.1 122.6 5.6 30.6 44.7 35 47 B I E + 0 0 4 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.530 67.0 21.0-116.4 -15.3 6.1 29.9 48.4 36 48 B R E > S- K 0 39C 98 3,-1.8 3,-1.5 74,-0.1 -1,-0.3 -0.942 88.3-103.7-145.4 158.8 9.9 29.6 48.5 37 49 B Q T 3 S+ 0 0 87 -2,-0.3 66,-2.7 1,-0.3 64,-0.1 0.754 127.4 25.4 -58.2 -21.5 12.5 30.8 46.1 38 50 B N T 3 S+ 0 0 50 64,-0.2 61,-1.9 62,-0.1 2,-0.4 0.047 113.6 77.4-130.9 25.7 12.7 27.2 44.9 39 51 B W E < -KL 36 98C 5 -3,-1.5 -4,-2.4 59,-0.2 -3,-1.8 -0.995 51.4-168.7-141.0 134.4 9.2 25.9 45.7 40 52 B V E -KL 34 97C 0 57,-2.1 57,-2.7 -2,-0.4 2,-0.5 -0.966 13.2-145.6-123.3 136.8 5.8 26.3 44.1 41 53 B M E +KL 33 96C 0 -8,-3.7 -8,-2.8 -2,-0.4 2,-0.3 -0.863 36.7 144.0-100.4 130.4 2.5 25.3 45.6 42 54 B T E - L 0 95C 0 53,-2.7 53,-2.9 -2,-0.5 2,-0.3 -0.853 50.9 -69.6-150.1-175.5 -0.1 24.1 43.0 43 55 B A >> - 0 0 0 -12,-0.4 3,-0.8 51,-0.3 4,-0.5 -0.617 33.4-133.5 -86.2 144.3 -2.9 21.5 42.6 44 56 B A G >4 S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.887 104.7 59.8 -63.2 -39.9 -2.1 17.8 42.4 45 57 B H G >4 S+ 0 0 56 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.741 94.8 67.2 -63.8 -18.1 -4.3 17.3 39.4 46 58 B a G <4 S+ 0 0 9 -3,-0.8 -1,-0.3 1,-0.2 3,-0.2 0.803 106.5 38.1 -70.2 -30.1 -2.2 19.8 37.5 47 59 B V G << S+ 0 0 12 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 -0.006 83.9 104.9-111.6 29.8 0.8 17.5 37.6 48 60 B D < + 0 0 53 -3,-1.0 -1,-0.1 2,-0.1 -2,-0.1 0.860 64.0 81.9 -74.5 -37.9 -1.0 14.2 37.0 49 61 B R S S- 0 0 51 -4,-0.3 2,-1.8 -3,-0.2 0, 0.0 -0.313 89.9-116.5 -69.8 153.0 0.2 13.9 33.4 50 62 B E + 0 0 193 2,-0.0 2,-0.2 -2,-0.0 -1,-0.1 -0.466 69.9 134.8 -86.4 63.5 3.6 12.6 32.5 51 63 B L - 0 0 77 -2,-1.8 2,-0.7 -4,-0.1 -29,-0.1 -0.641 64.3-106.1-111.6 168.2 4.6 15.9 30.9 52 64 B T - 0 0 68 -31,-0.3 -31,-2.1 -2,-0.2 2,-0.3 -0.855 44.0-163.4 -93.1 118.3 7.7 18.1 31.0 53 65 B F E -J 20 0C 14 -2,-0.7 21,-1.4 -33,-0.2 2,-0.3 -0.807 15.1-177.2-108.6 147.2 6.8 21.1 33.2 54 65AB R E -JM 19 73C 47 -35,-2.5 -35,-2.4 -2,-0.3 2,-0.4 -0.943 19.6-135.5-132.7 154.3 8.5 24.5 33.6 55 66 B V E -JM 18 72C 0 17,-3.5 17,-2.6 -2,-0.3 2,-0.5 -0.923 11.7-160.9-112.7 139.4 7.5 27.3 35.9 56 67 B V E -JM 17 71C 0 -39,-1.9 -39,-2.6 -2,-0.4 3,-0.3 -0.979 10.8-176.2-121.7 118.5 7.3 31.0 34.8 57 68 B V E + M 0 70C 1 13,-2.2 13,-1.7 -2,-0.5 -41,-0.1 -0.721 66.5 34.3-107.1 162.9 7.4 33.7 37.5 58 69 B G S S+ 0 0 5 50,-0.6 10,-0.2 -43,-0.5 2,-0.2 0.724 87.3 152.1 66.5 20.8 7.1 37.4 36.9 59 70 B E + 0 0 18 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.564 18.3 150.9 -87.4 146.3 4.7 36.6 34.1 60 71 B H + 0 0 7 1,-0.3 85,-2.0 -2,-0.2 2,-0.6 0.520 68.6 36.0-135.7 -52.9 1.8 38.9 32.9 61 72 B N B > -O 144 0D 14 3,-0.4 3,-1.2 83,-0.2 -1,-0.3 -0.944 64.0-155.7-113.4 113.7 1.0 38.4 29.2 62 73 B L T 3 S+ 0 0 36 81,-3.0 82,-0.1 -2,-0.6 -1,-0.1 0.638 90.2 44.7 -62.2 -16.3 1.4 34.8 28.0 63 74 B N T 3 S+ 0 0 112 80,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.405 110.7 43.6-112.9 4.5 2.0 35.8 24.4 64 75 B Q S < S- 0 0 120 -3,-1.2 -3,-0.4 79,-0.2 -4,-0.2 -0.998 87.3 -93.3-150.7 146.4 4.5 38.7 24.6 65 76 B N - 0 0 133 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.350 30.7-179.5 -59.9 123.1 7.7 39.6 26.4 66 77 B N - 0 0 29 -2,-0.2 -1,-0.2 -5,-0.1 -4,-0.0 0.516 40.6-125.5 -98.9 -10.3 7.0 41.6 29.5 67 78 B G S S+ 0 0 58 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.679 95.2 77.5 73.9 18.7 10.6 42.0 30.4 68 79 B T + 0 0 28 -10,-0.2 2,-0.1 -11,-0.1 40,-0.1 0.359 62.7 117.5-136.7 0.2 10.1 40.5 33.9 69 80 B E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.363 39.3-167.2 -77.1 152.8 9.8 36.8 33.4 70 81 B Q E -M 57 0C 44 -13,-1.7 -13,-2.2 -2,-0.1 2,-0.5 -0.982 10.6-154.5-137.6 121.7 12.1 34.1 34.8 71 82 B Y E +M 56 0C 111 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.887 19.2 170.2-104.7 127.3 11.7 30.5 33.3 72 83 B V E -M 55 0C 5 -17,-2.6 -17,-3.5 -2,-0.5 -2,-0.0 -0.998 28.2-122.6-140.0 138.9 12.8 27.6 35.5 73 84 B G E -M 54 0C 30 -2,-0.4 27,-2.8 -19,-0.2 2,-0.6 -0.254 29.2-110.6 -73.5 163.8 12.4 23.8 35.1 74 85 B V E -N 99 0C 33 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.869 30.9-178.7 -98.2 120.1 10.7 21.6 37.7 75 86 B Q E + 0 0 120 23,-2.9 2,-0.3 -2,-0.6 24,-0.2 0.874 66.9 12.4 -86.1 -42.1 13.2 19.4 39.5 76 87 B K E -N 98 0C 84 22,-1.6 22,-2.7 164,-0.0 2,-0.5 -0.998 59.2-153.6-141.2 143.6 10.9 17.4 41.8 77 88 B I E -N 97 0C 67 -2,-0.3 2,-0.8 20,-0.2 20,-0.2 -0.948 9.6-173.4-120.0 113.5 7.2 16.9 42.1 78 89 B V E -N 96 0C 25 18,-3.1 18,-2.6 -2,-0.5 2,-0.3 -0.865 6.4-173.1-110.5 101.0 5.7 16.1 45.5 79 90 B V E -N 95 0C 45 -2,-0.8 16,-0.2 16,-0.2 14,-0.1 -0.650 41.3 -91.5 -88.1 147.0 2.0 15.3 45.3 80 91 B H > - 0 0 27 14,-2.1 3,-2.5 12,-0.3 -1,-0.1 -0.406 35.4-126.3 -60.1 129.9 0.1 14.8 48.5 81 92 B P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.713 107.7 51.3 -49.5 -27.9 0.3 11.0 49.3 82 93 B Y T 3 S+ 0 0 164 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.441 79.5 121.6 -94.1 1.4 -3.5 10.8 49.7 83 94 B W < - 0 0 29 -3,-2.5 2,-0.4 9,-0.2 9,-0.1 -0.401 41.5-169.2 -64.7 137.5 -4.3 12.5 46.4 84 95 B N > - 0 0 73 7,-0.5 3,-2.5 3,-0.3 6,-0.2 -0.948 16.1-152.6-133.6 111.5 -6.4 10.3 44.1 85 96 B T T 3 S+ 0 0 77 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.790 97.4 52.9 -51.2 -36.4 -6.9 11.5 40.5 86 97 B D T 3 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.321 112.0 49.7 -84.8 10.5 -10.2 9.7 40.1 87 98 B D X> + 0 0 66 -3,-2.5 3,-1.7 4,-0.1 4,-0.5 -0.367 50.9 153.8-147.6 64.2 -11.5 11.5 43.2 88 99 B V G >4 S+ 0 0 46 -3,-0.4 3,-1.2 1,-0.3 5,-0.2 0.847 78.3 64.3 -61.0 -31.0 -10.9 15.3 43.2 89 99AB A G 34 S+ 0 0 23 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.668 90.2 66.1 -65.7 -18.9 -13.9 15.6 45.6 90 99BB A G <4 S- 0 0 35 -3,-1.7 2,-0.3 1,-0.3 -1,-0.3 0.780 102.7-140.6 -73.0 -27.9 -12.0 13.6 48.2 91 100 B G << + 0 0 3 -3,-1.2 -7,-0.5 -4,-0.5 -1,-0.3 -0.720 68.0 118.9 106.0-155.1 -9.5 16.4 48.5 92 101 B Y + 0 0 80 -2,-0.3 2,-2.3 1,-0.2 -12,-0.3 0.709 38.3 156.0 60.3 21.0 -5.8 16.4 48.9 93 102 B D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.492 33.5 107.3 -79.4 75.9 -5.6 18.3 45.6 94 103 B I + 0 0 0 -2,-2.3 -14,-2.1 -51,-0.3 2,-0.3 -0.992 39.4 175.6-154.0 145.2 -2.2 19.9 46.4 95 104 B A E -LN 42 79C 0 -53,-2.9 -53,-2.7 -2,-0.3 2,-0.4 -0.991 19.7-140.2-149.8 151.2 1.4 19.4 45.2 96 105 B L E -LN 41 78C 0 -18,-2.6 -18,-3.1 -2,-0.3 2,-0.5 -0.941 13.7-155.8-115.8 137.8 4.7 21.1 45.8 97 106 B L E -LN 40 77C 0 -57,-2.7 -57,-2.1 -2,-0.4 2,-0.6 -0.956 6.3-149.1-116.3 122.4 7.2 21.6 43.0 98 107 B R E -LN 39 76C 58 -22,-2.7 -23,-2.9 -2,-0.5 -22,-1.6 -0.809 24.2-134.3 -89.3 120.8 10.9 22.0 43.7 99 108 B L E - 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