==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-OCT-06 2IOT . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.FARADY,M.A.NAVIA . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 64.6 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 . 83 34.6 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 . 21 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.6 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 . 6 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 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.1 11.3 -4.5 -1.4 2 17 A V B 3 +A 182 0A 8 180,-2.2 180,-1.8 1,-0.2 134,-0.2 -0.748 360.0 12.6 -92.0 136.7 14.8 -5.3 -2.6 3 18 A G T 3 S+ 0 0 39 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.786 97.7 144.2 69.8 27.6 16.1 -8.9 -1.9 4 19 A G < - 0 0 24 -3,-0.6 2,-0.3 131,-0.1 144,-0.2 -0.360 43.7-138.1 -94.4 172.4 12.6 -10.1 -1.0 5 20 A T E -B 147 0B 87 142,-2.4 142,-2.5 -2,-0.1 2,-0.4 -0.886 39.5 -89.1-122.2 156.7 10.7 -13.3 -1.5 6 21 A E E -B 146 0B 110 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.562 46.1-131.1 -71.1 124.2 7.1 -13.6 -2.5 7 22 A A - 0 0 3 138,-2.8 2,-0.1 -2,-0.4 138,-0.1 -0.411 25.3-100.1 -73.3 151.9 4.9 -13.7 0.6 8 23 A Q >> - 0 0 128 1,-0.1 3,-1.7 -2,-0.1 4,-0.5 -0.483 36.5-110.7 -71.6 145.8 2.2 -16.3 1.1 9 24 A R T 34 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.748 114.9 33.6 -47.4 -33.6 -1.3 -15.1 0.2 10 25 A N T 34 S+ 0 0 74 1,-0.1 -1,-0.3 2,-0.0 99,-0.0 0.199 91.7 94.5-113.5 14.2 -2.5 -15.2 3.9 11 26 A S T <4 S+ 0 0 50 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.883 96.5 24.7 -73.9 -41.1 0.8 -14.3 5.8 12 27 A W >< + 0 0 26 -4,-0.5 3,-1.6 1,-0.1 -1,-0.2 -0.589 66.0 164.8-128.1 71.6 0.2 -10.5 6.1 13 28 A P T 3 S+ 0 0 32 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.566 73.0 62.5 -65.3 -10.1 -3.6 -9.8 6.0 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.6 97,-0.1 2,-0.2 0.604 78.4 106.4 -90.2 -13.0 -3.2 -6.3 7.4 15 30 A Q E < -I 33 0C 4 -3,-1.6 43,-0.5 18,-0.2 44,-0.4 -0.474 50.0-175.8 -70.8 129.9 -1.1 -5.1 4.4 16 31 A I E -I 32 0C 0 16,-2.1 16,-0.9 -2,-0.2 2,-0.5 -0.855 24.8-125.7-123.5 163.3 -3.0 -2.8 2.0 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.1 -2,-0.3 2,-0.6 -0.953 17.1-154.3-110.0 121.6 -2.2 -1.1 -1.3 18 33 A L E -IJ 30 55C 0 12,-3.3 11,-2.6 -2,-0.5 12,-1.9 -0.908 24.7-177.6 -97.4 117.7 -2.7 2.7 -1.4 19 34 A Q E -IJ 28 54C 8 35,-2.7 35,-2.0 -2,-0.6 2,-0.3 -0.854 18.4-149.6-120.2 155.2 -3.3 3.6 -5.0 20 35 A Y E -IJ 27 53C 60 7,-2.6 7,-2.7 -2,-0.3 2,-0.3 -0.887 30.1-101.9-120.6 154.0 -3.9 6.8 -7.0 21 36 A R E +I 26 0C 149 31,-1.5 2,-0.3 -2,-0.3 31,-0.2 -0.601 36.5 175.4 -80.1 130.3 -6.0 7.5 -10.2 22 36AA S E > -I 25 0C 60 3,-2.5 3,-1.6 -2,-0.3 2,-0.3 -0.861 60.1 -59.9-137.4 94.3 -4.0 7.8 -13.4 23 36BA G T 3 S- 0 0 73 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 -0.503 116.4 -16.2 72.4-122.1 -6.2 8.1 -16.4 24 36CA S T 3 S+ 0 0 129 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.454 133.0 53.8 -94.2 -5.0 -8.5 5.1 -16.9 25 37 A S E < S-I 22 0C 68 -3,-1.6 -3,-2.5 -5,-0.0 2,-0.4 -0.566 78.0-117.3-121.7-179.4 -6.5 3.0 -14.5 26 38 A W E -I 21 0C 78 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.954 21.1-154.7-123.1 144.5 -5.1 3.0 -10.9 27 39 A A E -I 20 0C 30 -7,-2.7 -7,-2.6 -2,-0.4 2,-0.2 -0.978 19.0-119.2-126.9 134.3 -1.5 2.9 -9.9 28 40 A H E +I 19 0C 16 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.464 37.7 160.3 -67.1 135.1 0.1 1.7 -6.6 29 41 A T E - 0 0 18 -11,-2.6 2,-0.3 1,-0.4 159,-0.2 0.637 58.8 -1.2-124.7 -34.4 2.0 4.4 -4.8 30 42 A a E -I 18 0C 5 -12,-1.9 -12,-3.3 157,-0.1 -1,-0.4 -0.953 58.1-118.5-155.0 167.6 2.3 3.2 -1.2 31 43 A G E +I 17 0C 1 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.408 29.3 176.3 -98.6-176.2 1.6 0.5 1.4 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.1 -2,-0.1 2,-0.4 -0.961 26.9-113.2-173.9 173.8 -0.4 0.8 4.6 33 45 A T E -IK 15 41C 0 8,-2.7 8,-3.3 -2,-0.3 2,-0.5 -0.993 21.6-131.8-128.7 127.0 -1.8 -1.2 7.5 34 46 A L E + K 0 40C 0 -20,-2.6 78,-3.2 -2,-0.4 6,-0.2 -0.663 33.8 166.0 -76.1 116.8 -5.5 -1.9 8.2 35 47 A I E + 0 0 1 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.610 66.8 14.2-106.7 -24.6 -5.9 -1.0 11.9 36 48 A R E > S- K 0 39C 87 3,-1.8 3,-1.3 74,-0.1 -1,-0.4 -0.918 88.5-100.6-140.6 163.4 -9.8 -0.8 12.1 37 49 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.767 127.7 28.1 -60.3 -21.9 -12.4 -2.0 9.6 38 50 A N T 3 S+ 0 0 55 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.132 113.3 76.9-124.4 17.4 -12.7 1.6 8.4 39 51 A W E < -KL 36 98C 4 -3,-1.3 -4,-2.3 59,-0.2 -3,-1.8 -0.993 51.3-169.7-136.3 134.8 -9.2 2.9 9.2 40 52 A V E -KL 34 97C 0 57,-2.3 57,-2.8 -2,-0.4 2,-0.5 -0.957 13.9-145.7-121.8 135.7 -5.8 2.6 7.5 41 53 A M E +KL 33 96C 0 -8,-3.3 -8,-2.7 -2,-0.4 2,-0.2 -0.894 36.3 146.9-101.0 124.9 -2.4 3.6 8.9 42 54 A T E - L 0 95C 0 53,-2.8 53,-2.2 -2,-0.5 2,-0.3 -0.711 50.0 -72.3-141.3-173.7 0.1 4.9 6.3 43 55 A A > - 0 0 0 -12,-0.4 3,-0.8 51,-0.3 4,-0.5 -0.728 32.7-132.4 -89.2 144.7 2.9 7.4 6.0 44 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.868 105.4 59.2 -63.5 -35.2 2.1 11.1 5.8 45 57 A H G > S+ 0 0 54 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.708 93.5 67.7 -67.6 -20.4 4.3 11.7 2.8 46 58 A a G < S+ 0 0 3 -3,-0.8 -1,-0.3 1,-0.2 3,-0.2 0.767 106.4 39.6 -67.9 -28.6 2.3 9.2 0.8 47 59 A V G < S+ 0 0 16 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.088 83.5 104.5-110.6 22.0 -0.7 11.6 0.9 48 60 A D < + 0 0 57 -3,-1.0 2,-0.2 2,-0.1 -1,-0.1 0.862 67.6 75.1 -68.8 -38.8 1.3 14.8 0.3 49 61 A R S S- 0 0 133 -4,-0.3 2,-1.9 -3,-0.2 0, 0.0 -0.561 91.6-118.9 -80.2 141.0 0.1 15.1 -3.3 50 62 A E + 0 0 196 -2,-0.2 -1,-0.1 2,-0.0 2,-0.1 -0.201 65.7 139.7 -74.7 47.4 -3.5 16.2 -4.1 51 63 A L - 0 0 59 -2,-1.9 2,-0.7 1,-0.1 -31,-0.0 -0.341 61.6-102.8 -90.4 167.8 -4.4 12.9 -5.8 52 64 A T - 0 0 91 -31,-0.2 -31,-1.5 -2,-0.1 2,-0.3 -0.860 46.3-159.5 -92.8 117.1 -7.5 10.7 -5.7 53 65 A F E -J 20 0C 15 -2,-0.7 21,-1.2 -33,-0.2 2,-0.3 -0.687 18.1-179.8-105.6 150.2 -6.8 7.7 -3.4 54 65AA R E -JM 19 73C 49 -35,-2.0 -35,-2.7 -2,-0.3 2,-0.4 -0.959 19.5-136.8-139.3 152.8 -8.3 4.3 -3.0 55 66 A V E -JM 18 72C 1 17,-3.2 17,-2.5 -2,-0.3 2,-0.5 -0.936 10.5-160.6-114.0 134.1 -7.4 1.4 -0.6 56 67 A V E -JM 17 71C 0 -39,-2.1 -39,-2.1 -2,-0.4 3,-0.3 -0.978 9.7-174.0-117.7 116.1 -7.2 -2.2 -1.7 57 68 A V E + M 0 70C 2 13,-2.2 13,-2.0 -2,-0.5 52,-0.1 -0.758 69.4 31.9-104.3 154.8 -7.4 -4.8 1.0 58 69 A G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.5 10,-0.2 0.784 86.6 152.0 69.1 27.2 -6.9 -8.6 0.3 59 70 A E + 0 0 15 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.735 17.6 151.6 -94.7 135.3 -4.5 -7.7 -2.4 60 71 A H S S+ 0 0 7 -2,-0.3 85,-1.5 1,-0.3 2,-0.5 0.585 70.2 36.1-123.9 -52.6 -1.6 -10.0 -3.5 61 72 A N B -O 144 0D 10 3,-0.2 -1,-0.3 83,-0.2 3,-0.3 -0.952 59.7-161.7-112.1 123.0 -0.9 -9.3 -7.2 62 73 A L S S+ 0 0 40 81,-2.5 -1,-0.1 -2,-0.5 82,-0.1 0.766 91.7 41.8 -71.0 -28.8 -1.3 -5.7 -8.5 63 74 A N S S+ 0 0 116 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.528 112.6 53.1 -97.3 -11.9 -1.6 -6.7 -12.2 64 75 A Q S S- 0 0 130 -3,-0.3 2,-0.7 79,-0.2 -3,-0.2 -0.867 86.4-105.8-124.4 159.5 -3.9 -9.7 -11.9 65 76 A N - 0 0 136 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.772 29.5-175.6 -85.9 112.5 -7.3 -10.4 -10.3 66 77 A D - 0 0 30 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.698 34.7-129.9 -80.0 -23.4 -6.6 -12.5 -7.2 67 78 A G S S+ 0 0 61 1,-0.0 -8,-0.1 2,-0.0 -2,-0.1 0.757 93.2 78.8 76.9 25.5 -10.4 -12.9 -6.5 68 79 A T + 0 0 29 -10,-0.2 40,-0.1 -11,-0.1 -9,-0.1 0.342 65.0 116.7-137.4 -7.5 -9.9 -11.8 -2.9 69 80 A E - 0 0 25 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.340 42.0-164.5 -76.2 148.4 -9.7 -8.0 -3.2 70 81 A Q E -M 57 0C 44 -13,-2.0 -13,-2.2 -2,-0.1 2,-0.5 -0.999 12.1-152.6-130.5 124.5 -12.0 -5.3 -1.8 71 82 A Y E +M 56 0C 108 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.897 20.0 171.5-104.2 124.2 -11.7 -1.8 -3.2 72 83 A V E -M 55 0C 11 -17,-2.5 -17,-3.2 -2,-0.5 -2,-0.0 -0.999 26.2-125.9-136.0 140.8 -12.7 1.1 -1.0 73 84 A G E -M 54 0C 30 -2,-0.4 27,-2.4 -19,-0.2 2,-0.6 -0.278 28.5-109.0 -78.8 163.4 -12.4 4.9 -1.4 74 85 A V E -N 99 0C 33 -21,-1.2 25,-0.2 25,-0.2 -21,-0.2 -0.887 31.3-179.3 -98.7 116.8 -10.7 7.2 1.1 75 86 A Q E + 0 0 115 23,-2.4 2,-0.3 -2,-0.6 24,-0.2 0.854 67.9 10.4 -82.1 -42.0 -13.3 9.4 2.9 76 87 A K E -N 98 0C 90 22,-1.4 22,-2.7 2,-0.0 2,-0.5 -0.998 59.3-152.3-145.7 138.8 -11.0 11.5 5.2 77 88 A I E -N 97 0C 73 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.960 11.0-173.6-113.1 117.3 -7.2 12.0 5.4 78 89 A V E -N 96 0C 30 18,-3.0 18,-2.9 -2,-0.5 2,-0.2 -0.909 7.9-172.9-115.3 102.0 -5.8 12.8 8.9 79 90 A V E -N 95 0C 46 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.604 39.9 -90.3 -89.1 150.9 -2.1 13.6 8.7 80 91 A H > - 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