==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 21-FEB-90 8EST . COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR R.RADHAKRISHNAN,J.C.POWERS,E.F.MEYERJUNIOR . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 66.2 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 . 84 35.0 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 . 6 2.5 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 . 23 9.6 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 . 9 3.8 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 1 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 . 6 2 2 5 2 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 E V > 0 0 1 0, 0.0 3,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.3 -11.2 33.7 36.0 2 17 E V B 3 +A 182 0A 9 180,-2.7 180,-1.7 1,-0.2 134,-0.2 -0.707 360.0 11.3 -88.5 134.2 -14.7 34.5 34.8 3 18 E G T 3 S+ 0 0 43 132,-0.7 -1,-0.2 -2,-0.3 2,-0.1 0.737 97.6 149.8 72.0 24.4 -16.0 38.1 35.4 4 19 E G < - 0 0 22 -3,-0.7 2,-0.3 131,-0.1 144,-0.2 -0.340 41.3-140.2 -76.3 172.9 -12.4 39.2 36.4 5 20 E T E -B 147 0B 88 142,-2.6 142,-2.9 -2,-0.1 2,-0.3 -0.894 39.6 -88.3-124.7 151.5 -10.7 42.5 36.0 6 21 E E E -B 146 0B 111 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.485 44.9-124.6 -59.7 130.8 -7.1 42.8 35.0 7 22 E A - 0 0 2 138,-3.1 138,-0.1 -2,-0.3 2,-0.1 -0.325 22.6-110.6 -66.9 138.3 -4.8 42.7 37.9 8 23 E Q > - 0 0 129 1,-0.1 3,-1.5 -2,-0.1 4,-0.5 -0.535 36.4-107.9 -68.0 150.0 -2.3 45.6 38.5 9 24 E R T 3 S+ 0 0 122 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.656 112.4 30.7 -45.2 -37.6 1.4 44.4 37.8 10 25 E N T 3 S+ 0 0 74 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.272 91.9 94.4-116.3 8.8 2.5 44.4 41.4 11 26 E S S < S+ 0 0 46 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.841 94.9 27.9 -71.4 -43.2 -0.6 43.5 43.3 12 27 E W > + 0 0 27 -4,-0.5 3,-1.8 1,-0.1 -1,-0.2 -0.612 66.0 163.4-116.6 60.2 -0.2 39.7 43.6 13 28 E P T 3 S+ 0 0 31 0, 0.0 97,-1.5 0, 0.0 45,-0.2 0.471 71.1 61.7 -65.2 -6.9 3.6 39.0 43.6 14 29 E S T 3 S+ 0 0 10 95,-0.2 20,-2.4 97,-0.1 98,-0.2 0.547 79.0 109.3 -94.5 -4.2 3.3 35.5 45.0 15 30 E Q E < -I 33 0C 7 -3,-1.8 43,-0.5 18,-0.2 44,-0.3 -0.487 49.1-175.8 -70.7 132.6 1.2 34.3 42.0 16 31 E I E -IJ 32 57C 0 16,-2.2 16,-0.8 -2,-0.2 2,-0.5 -0.905 24.4-128.0-123.4 158.8 3.1 32.0 39.6 17 32 E S E -IJ 31 56C 0 39,-2.3 39,-2.9 -2,-0.3 2,-0.5 -0.939 16.7-152.1-106.5 123.4 2.3 30.3 36.3 18 33 E L E -IJ 30 55C 0 12,-3.1 11,-3.1 -2,-0.5 12,-1.8 -0.876 24.8-178.3 -95.2 116.6 2.9 26.6 36.1 19 34 E Q E -IJ 28 54C 9 35,-3.1 35,-2.8 -2,-0.5 2,-0.3 -0.914 17.3-148.0-119.4 148.6 3.7 25.6 32.5 20 35 E Y E -IJ 27 53C 67 7,-2.7 7,-2.9 -2,-0.3 2,-0.7 -0.867 31.7-103.5-120.4 151.7 4.5 22.4 30.6 21 36 E R E -I 26 0C 133 31,-1.8 2,-0.7 -2,-0.3 31,-0.3 -0.729 40.8-167.8 -75.4 103.3 6.7 21.7 27.6 22 36AE S E > -I 25 0C 50 3,-2.6 3,-2.6 -2,-0.7 2,-1.0 -0.920 58.6 -56.6-107.8 96.6 4.2 21.4 24.9 23 36BE G T 3 S- 0 0 72 -2,-0.7 -2,-0.1 1,-0.3 0, 0.0 -0.630 121.7 -27.2 73.4 -97.5 5.8 20.0 21.8 24 36CE S T 3 S+ 0 0 124 -2,-1.0 -1,-0.3 2,-0.0 2,-0.1 0.202 133.2 69.9-126.8 4.7 8.5 22.7 21.5 25 37 E S E < S-I 22 0C 75 -3,-2.6 -3,-2.6 -5,-0.0 2,-0.4 -0.406 80.3-115.8-107.6-175.9 6.6 25.5 23.2 26 38 E W E -I 21 0C 89 -5,-0.3 2,-0.5 -2,-0.1 -5,-0.2 -0.998 26.6-159.2-128.5 126.7 5.5 26.0 26.9 27 39 E A E -I 20 0C 27 -7,-2.9 -7,-2.7 -2,-0.4 2,-0.1 -0.952 20.6-120.6-110.1 135.8 1.9 26.1 27.8 28 40 E H E +I 19 0C 21 -2,-0.5 -9,-0.3 -9,-0.2 3,-0.1 -0.442 40.7 160.6 -57.9 127.3 0.2 27.6 30.9 29 41 E T E - 0 0 48 -11,-3.1 2,-0.3 1,-0.4 157,-0.3 0.586 55.9 -5.1-121.6 -26.5 -1.6 24.8 32.7 30 42 E a E -I 18 0C 6 -12,-1.8 -12,-3.1 157,-0.1 -1,-0.4 -0.962 58.8-116.1-154.5 164.5 -2.1 26.0 36.3 31 43 E G E +I 17 0C 0 157,-1.7 12,-0.4 -2,-0.3 2,-0.3 -0.224 32.1 170.3 -99.0-172.7 -1.5 28.7 38.8 32 44 E G E -I 16 0C 0 -16,-0.8 -16,-2.2 10,-0.1 2,-0.4 -0.943 27.9-110.6-172.5 174.8 0.5 28.4 42.1 33 45 E T E -IK 15 41C 0 8,-3.3 8,-3.4 -2,-0.3 2,-0.5 -0.976 19.3-131.0-126.0 135.1 1.9 30.3 45.0 34 46 E L E + K 0 40C 0 -20,-2.4 78,-3.3 -2,-0.4 6,-0.2 -0.650 34.0 163.4 -74.0 120.4 5.5 31.0 45.8 35 47 E I E + 0 0 2 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.541 69.0 20.2-116.8 -15.8 5.9 30.1 49.6 36 48 E R E > S- K 0 39C 93 3,-1.8 3,-1.3 74,-0.1 -1,-0.3 -0.908 88.6-104.0-144.7 155.2 9.8 29.9 49.7 37 49 E Q T 3 S+ 0 0 88 -2,-0.3 66,-2.6 1,-0.2 64,-0.1 0.823 128.6 26.4 -54.7 -21.5 12.4 31.2 47.3 38 50 E N T 3 S+ 0 0 28 64,-0.2 61,-2.3 62,-0.1 2,-0.4 0.086 113.1 80.3-125.9 17.3 12.7 27.6 46.1 39 51 E W E < -KL 36 98C 2 -3,-1.3 -4,-2.5 59,-0.2 -3,-1.8 -0.998 50.2-171.9-131.7 134.4 9.1 26.2 46.9 40 52 E V E -KL 34 97C 0 57,-2.6 57,-3.3 -2,-0.4 2,-0.5 -0.937 12.4-149.4-118.9 137.8 5.8 26.6 45.1 41 53 E M E +KL 33 96C 0 -8,-3.4 -8,-3.3 -2,-0.4 55,-0.2 -0.954 35.2 142.1-104.2 125.2 2.4 25.5 46.4 42 54 E T E - L 0 95C 0 53,-2.5 53,-2.8 -2,-0.5 2,-0.3 -0.717 52.7 -69.2-141.0-165.7 -0.1 24.4 43.8 43 55 E A > - 0 0 0 -12,-0.4 3,-1.0 51,-0.3 4,-0.4 -0.671 30.1-134.6 -92.3 141.8 -2.9 21.7 43.3 44 56 E A G > S+ 0 0 0 -2,-0.3 3,-2.0 1,-0.2 -1,-0.1 0.875 105.6 68.5 -61.1 -35.0 -2.0 18.0 43.0 45 57 E H G > S+ 0 0 86 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.775 92.1 63.0 -47.4 -32.6 -4.5 17.9 40.0 46 58 E a G < S+ 0 0 11 -3,-1.0 -1,-0.3 1,-0.2 3,-0.3 0.787 106.8 41.0 -70.2 -22.5 -1.9 20.1 38.2 47 59 E V G < S+ 0 0 13 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.127 75.7 109.8-115.1 23.0 0.8 17.4 38.3 48 60 E D S < S+ 0 0 37 -3,-1.0 2,-0.3 -4,-0.1 -1,-0.2 0.844 72.5 70.1 -70.3 -18.4 -1.3 14.3 37.6 49 61 E R S S- 0 0 187 -4,-0.3 2,-1.7 -3,-0.3 0, 0.0 -0.632 88.4-123.8-104.3 144.6 0.5 14.1 34.2 50 62 E E + 0 0 198 -2,-0.3 2,-0.2 2,-0.0 -2,-0.1 -0.651 58.9 142.8 -93.7 79.5 4.2 13.3 33.8 51 63 E L - 0 0 76 -2,-1.7 2,-0.5 -4,-0.1 -29,-0.1 -0.679 61.9 -98.0-108.7 165.8 5.2 16.3 32.0 52 64 E T - 0 0 64 -31,-0.3 -31,-1.8 -2,-0.2 2,-0.4 -0.842 52.5-159.7 -89.8 119.8 8.3 18.6 32.0 53 65 E F E -J 20 0C 14 -2,-0.5 21,-1.3 -33,-0.2 2,-0.3 -0.908 18.3-179.4-104.0 147.6 7.2 21.4 34.2 54 65AE R E -JM 19 73C 51 -35,-2.8 -35,-3.1 -2,-0.4 2,-0.4 -0.962 16.5-141.9-137.4 157.8 8.4 25.0 34.7 55 66 E V E -JM 18 72C 0 17,-2.8 17,-2.3 -2,-0.3 2,-0.5 -0.934 9.2-156.5-113.8 135.7 7.4 27.9 37.0 56 67 E V E -JM 17 71C 0 -39,-2.9 -39,-2.3 -2,-0.4 3,-0.3 -0.953 10.6-173.5-112.0 121.8 7.2 31.5 35.9 57 68 E V E +JM 16 70C 3 13,-2.3 13,-2.7 -2,-0.5 -41,-0.1 -0.788 68.7 29.5-105.1 156.6 7.5 34.2 38.5 58 69 E G S S+ 0 0 6 50,-0.6 2,-0.4 -43,-0.5 10,-0.3 0.708 86.6 152.0 67.6 29.9 7.0 38.0 37.9 59 70 E E + 0 0 17 -44,-0.3 -1,-0.3 -3,-0.3 3,-0.1 -0.702 17.7 150.0 -91.5 131.4 4.7 37.1 35.1 60 71 E H S S+ 0 0 10 -2,-0.4 85,-1.4 1,-0.3 2,-0.5 0.561 72.3 38.7-124.7 -44.3 1.8 39.5 34.1 61 72 E N B > -O 144 0D 12 3,-0.2 3,-0.9 83,-0.2 -1,-0.3 -0.933 63.3-160.6-113.6 112.9 1.3 38.7 30.3 62 73 E L T 3 S+ 0 0 30 81,-2.9 -1,-0.1 -2,-0.5 82,-0.1 0.739 92.8 39.1 -59.0 -34.4 1.6 35.1 29.3 63 74 E N T 3 S+ 0 0 109 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.328 112.7 56.3-102.6 4.8 2.2 36.0 25.6 64 75 E Q S < S- 0 0 123 -3,-0.9 2,-0.8 79,-0.2 -3,-0.2 -0.925 86.4-100.7-134.4 162.0 4.4 39.1 26.0 65 76 E N - 0 0 124 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.759 29.3-176.9 -87.6 111.4 7.7 40.1 27.6 66 77 E N - 0 0 23 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.670 36.7-129.8 -75.9 -22.2 7.0 41.9 30.8 67 78 E G S S+ 0 0 58 -3,-0.1 -8,-0.1 2,-0.0 -2,-0.1 0.684 95.3 75.3 85.1 4.9 10.6 42.6 31.5 68 79 E T + 0 0 27 -10,-0.3 2,-0.2 -11,-0.1 40,-0.1 0.283 64.9 124.3-131.6 -6.1 10.2 41.2 35.0 69 80 E E - 0 0 26 -13,-0.0 2,-0.4 1,-0.0 -11,-0.2 -0.519 38.5-166.0 -72.5 148.1 9.9 37.4 34.5 70 81 E Q E -M 57 0C 44 -13,-2.7 -13,-2.3 -2,-0.2 2,-0.5 -0.992 10.4-156.7-122.5 127.3 12.1 34.6 36.1 71 82 E Y E +M 56 0C 105 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.877 18.1 175.0-110.9 124.1 11.8 31.2 34.5 72 83 E V E -M 55 0C 6 -17,-2.3 -17,-2.8 -2,-0.5 -2,-0.0 -0.988 25.9-125.3-134.5 135.6 12.7 28.2 36.8 73 84 E G E -M 54 0C 33 -2,-0.4 27,-2.8 -19,-0.2 2,-0.5 -0.215 27.4-114.8 -66.1 157.9 12.7 24.4 36.4 74 85 E V E -N 99 0C 35 -21,-1.3 25,-0.3 25,-0.2 -21,-0.2 -0.833 28.5-177.0 -92.4 125.1 10.9 22.1 38.9 75 86 E Q E + 0 0 111 23,-3.2 2,-0.3 -2,-0.5 24,-0.2 0.740 66.4 8.5 -87.2 -38.1 13.5 19.9 40.6 76 87 E K E -N 98 0C 98 22,-1.9 22,-2.7 2,-0.0 2,-0.5 -0.987 59.5-148.3-150.5 146.4 11.0 17.8 42.7 77 88 E I E -N 97 0C 68 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.972 10.8-174.9-122.2 122.3 7.3 17.2 43.1 78 89 E V E -N 96 0C 28 18,-2.7 18,-2.4 -2,-0.5 2,-0.2 -0.935 6.8-172.5-116.5 107.4 5.6 16.3 46.3 79 90 E V E -N 95 0C 47 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.608 40.4 -89.4 -93.2 156.4 1.9 15.4 46.2 80 91 E H > - 0 0 23 14,-1.9 3,-2.1 12,-0.4 -1,-0.1 -0.477 34.8-128.4 -67.9 125.5 -0.2 14.9 49.2 81 92 E P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.710 108.2 50.6 -46.7 -26.0 -0.0 11.1 50.1 82 93 E Y T 3 S+ 0 0 162 10,-0.1 11,-0.1 2,-0.0 2,-0.1 0.590 82.1 120.2 -96.6 -2.9 -3.9 11.0 50.2 83 94 E W < - 0 0 27 -3,-2.1 2,-0.4 9,-0.2 9,-0.1 -0.312 37.6-177.4 -61.8 135.5 -4.5 12.7 46.8 84 95 E N > - 0 0 67 7,-0.4 3,-2.3 3,-0.3 6,-0.2 -0.961 23.7-149.2-142.4 114.1 -6.4 10.6 44.3 85 96 E T T 3 S+ 0 0 68 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.721 98.6 53.1 -38.5 -43.8 -6.9 11.9 40.8 86 97 E D T 3 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.231 111.4 46.6 -78.0 -3.9 -10.3 9.9 40.5 87 98 E D X + 0 0 74 -3,-2.3 3,-1.5 4,-0.1 4,-0.4 -0.475 55.4 154.1-143.3 63.8 -11.7 11.4 43.7 88 99 E V G > S+ 0 0 42 -3,-0.3 3,-1.6 1,-0.3 5,-0.2 0.816 73.1 69.5 -66.5 -21.5 -11.1 15.1 43.8 89 99AE A G 3 S+ 0 0 25 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.665 87.1 66.7 -67.0 -18.5 -14.2 15.4 46.1 90 99BE A G < S- 0 0 33 -3,-1.5 2,-0.3 1,-0.3 -1,-0.3 0.792 99.2-146.0 -73.5 -23.3 -12.1 13.7 48.8 91 100 E G < + 0 0 2 -3,-1.6 -7,-0.4 -4,-0.4 -1,-0.3 -0.716 61.2 125.6 92.4-143.9 -9.8 16.7 48.9 92 101 E Y + 0 0 76 -2,-0.3 2,-2.1 1,-0.2 -12,-0.4 0.692 36.9 156.9 57.2 21.9 -6.1 16.6 49.6 93 102 E D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.522 27.9 112.2 -81.5 75.4 -5.7 18.6 46.4 94 103 E I + 0 0 0 -2,-2.1 -14,-1.9 -51,-0.2 2,-0.3 -0.997 37.5 179.1-150.9 140.9 -2.3 20.0 47.2 95 104 E A E -LN 42 79C 0 -53,-2.8 -53,-2.5 -2,-0.3 2,-0.4 -0.978 15.8-147.6-135.1 148.4 1.2 19.7 45.8 96 105 E L E -LN 41 78C 0 -18,-2.4 -18,-2.7 -2,-0.3 2,-0.5 -0.992 13.3-155.6-117.1 137.3 4.5 21.3 46.7 97 106 E L E -LN 40 77C 0 -57,-3.3 -57,-2.6 -2,-0.4 2,-0.6 -0.932 6.4-149.0-114.9 122.6 7.1 22.0 44.0 98 107 E R E -LN 39 76C 56 -22,-2.7 -23,-3.2 -2,-0.5 -22,-1.9 -0.838 23.6-138.9 -88.4 118.0 10.9 22.3 44.7 99 108 E L E - 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