==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAR-05 2BLQ . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.H.NANAO,R.B.RAVELLI . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10513.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 63.8 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 . 79 32.9 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 . 29 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.2 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 . 4 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 0.000 360.0 360.0 360.0 120.2 11.3 33.2 38.5 2 17 A V B 3 +A 182 0A 10 180,-2.2 180,-1.8 1,-0.2 134,-0.1 -0.770 360.0 12.9 -89.1 135.1 14.8 33.9 39.7 3 18 A G T 3 S+ 0 0 41 132,-0.6 -1,-0.2 -2,-0.4 178,-0.1 0.763 98.1 142.5 70.5 29.6 16.1 37.4 39.0 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.251 44.1-136.4 -90.1 177.9 12.6 38.7 38.0 5 20 A T E -B 147 0B 84 142,-2.5 142,-2.6 -2,-0.1 2,-0.3 -0.927 38.6 -89.1-127.6 158.4 10.8 41.9 38.5 6 21 A E E -B 146 0B 114 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.512 46.0-129.2 -70.0 126.9 7.2 42.4 39.5 7 22 A A - 0 0 3 138,-2.8 138,-0.1 -2,-0.3 2,-0.1 -0.482 22.4-106.2 -69.6 145.5 5.0 42.4 36.4 8 23 A Q > - 0 0 128 -2,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.443 37.1-114.1 -61.5 145.4 2.5 45.2 36.0 9 24 A R T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.680 111.5 38.9 -62.2 -18.1 -0.9 43.7 36.6 10 25 A N T 3 S+ 0 0 66 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.286 91.4 90.3-116.0 15.2 -2.2 44.1 33.1 11 26 A S S < S+ 0 0 50 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.860 98.0 26.4 -72.6 -41.6 0.9 43.1 31.2 12 27 A W > + 0 0 25 -4,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.544 67.2 163.4-125.6 62.7 0.3 39.3 30.9 13 28 A P T 3 S+ 0 0 30 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.562 72.2 61.7 -68.3 -9.8 -3.5 38.8 31.1 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.7 97,-0.1 2,-0.2 0.555 78.9 106.9 -87.7 -9.7 -3.3 35.3 29.7 15 30 A Q E < -I 33 0C 6 -3,-1.9 43,-0.4 18,-0.2 44,-0.4 -0.520 50.2-174.4 -69.6 135.6 -1.2 34.0 32.7 16 31 A I E -I 32 0C 0 16,-2.4 16,-0.9 -2,-0.2 2,-0.5 -0.850 24.2-127.4-124.1 161.1 -3.1 31.8 35.1 17 32 A S E -IJ 31 56C 0 39,-2.2 39,-2.3 -2,-0.3 2,-0.6 -0.958 18.6-152.7-105.7 122.4 -2.3 30.2 38.4 18 33 A L E -IJ 30 55C 0 12,-3.1 11,-3.0 -2,-0.5 12,-1.8 -0.894 24.2-179.6 -96.2 122.1 -2.9 26.5 38.6 19 34 A Q E -IJ 28 54C 8 35,-2.8 35,-2.3 -2,-0.6 2,-0.3 -0.875 19.0-146.8-125.8 153.1 -3.7 25.5 42.1 20 35 A Y E -IJ 27 53C 60 7,-2.4 7,-2.7 -2,-0.3 2,-0.3 -0.909 29.2-104.1-120.9 153.9 -4.5 22.3 44.0 21 36 A R E +I 26 0C 112 31,-2.1 2,-0.4 -2,-0.3 31,-0.3 -0.550 38.6 175.5 -75.0 130.0 -6.7 21.8 47.0 22 36AA S E > -I 25 0C 40 3,-3.1 3,-2.1 -2,-0.3 2,-0.2 -0.903 59.4 -51.6-141.2 107.2 -4.8 21.2 50.2 23 36BA G T 3 S- 0 0 73 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.444 119.7 -21.8 64.1-128.5 -6.8 21.0 53.3 24 36CA S T 3 S+ 0 0 119 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.276 132.9 57.9 -96.3 10.1 -9.2 23.9 53.7 25 37 A S E < S-I 22 0C 61 -3,-2.1 -3,-3.1 -5,-0.0 2,-0.4 -0.607 77.4-115.0-128.4-172.0 -7.0 25.9 51.3 26 38 A W E -I 21 0C 66 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.972 20.8-155.6-128.7 140.8 -5.5 26.1 47.8 27 39 A A E -I 20 0C 26 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.2 -0.974 19.7-122.4-122.9 130.4 -1.9 26.0 46.9 28 40 A H E +I 19 0C 19 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.501 38.5 160.5 -62.4 131.2 -0.3 27.4 43.7 29 41 A T E - 0 0 22 -11,-3.0 2,-0.3 1,-0.4 157,-0.2 0.596 55.9 -1.4-122.1 -31.9 1.6 24.7 41.9 30 42 A a E -I 18 0C 5 -12,-1.8 -12,-3.1 157,-0.1 -1,-0.4 -0.978 59.8-114.4-153.2 165.3 2.1 25.8 38.3 31 43 A G E +I 17 0C 0 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.400 29.9 176.4 -90.7 179.4 1.4 28.4 35.7 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.4 -2,-0.1 2,-0.4 -0.947 26.7-115.9-168.8 174.7 -0.7 28.2 32.5 33 45 A T E -IK 15 41C 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.5 -0.993 22.9-129.7-125.3 126.4 -1.9 30.2 29.6 34 46 A L E + K 0 40C 0 -20,-2.7 78,-3.2 -2,-0.4 6,-0.2 -0.631 34.7 166.4 -70.5 119.2 -5.6 30.9 29.0 35 47 A I E + 0 0 2 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.618 66.7 12.7-114.0 -19.6 -6.2 30.0 25.3 36 48 A R E > S- K 0 39C 90 3,-1.8 3,-1.6 74,-0.1 -1,-0.4 -0.919 89.5 -99.1-139.8 169.2 -10.0 29.9 25.1 37 49 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.783 128.3 28.7 -61.8 -22.5 -12.5 31.3 27.7 38 50 A N T 3 S+ 0 0 48 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.120 112.5 75.9-122.1 19.0 -12.8 27.7 28.9 39 51 A W E < -KL 36 98C 6 -3,-1.6 -4,-2.6 59,-0.2 -3,-1.8 -0.992 50.9-169.8-137.3 136.5 -9.4 26.2 28.1 40 52 A V E -KL 34 97C 0 57,-2.3 57,-2.8 -2,-0.4 2,-0.5 -0.953 14.0-145.6-119.3 136.5 -5.9 26.5 29.7 41 53 A M E +KL 33 96C 0 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.2 -0.891 36.2 146.3 -97.0 129.4 -2.6 25.3 28.2 42 54 A T E - L 0 95C 0 53,-2.7 53,-2.3 -2,-0.5 2,-0.4 -0.717 50.5 -70.5-145.1-172.2 -0.1 24.1 30.8 43 55 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.4 -0.740 32.7-132.7 -87.7 141.2 2.6 21.5 31.2 44 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.2 -1,-0.1 0.877 106.2 60.3 -55.0 -39.1 1.7 17.8 31.4 45 57 A H G > S+ 0 0 53 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.789 92.8 66.6 -68.7 -20.3 3.9 17.3 34.4 46 58 A a G < S+ 0 0 3 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.743 106.9 40.7 -65.2 -25.1 1.9 19.9 36.3 47 59 A V G < S+ 0 0 15 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.134 79.9 107.0-115.1 21.9 -1.1 17.5 36.3 48 60 A D < + 0 0 58 -3,-1.2 -1,-0.1 -4,-0.1 2,-0.1 0.901 67.7 77.4 -62.8 -42.9 0.8 14.2 36.9 49 61 A R S S- 0 0 127 -4,-0.3 2,-1.6 -3,-0.2 0, 0.0 -0.464 90.0-120.2 -76.4 148.3 -0.6 14.1 40.5 50 62 A E + 0 0 190 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.295 64.1 139.7 -83.6 55.1 -4.2 13.1 41.2 51 63 A L - 0 0 61 -2,-1.6 2,-0.7 -4,-0.1 -29,-0.1 -0.349 62.4-104.0 -99.3 166.7 -5.2 16.3 42.8 52 64 A T - 0 0 90 -31,-0.3 -31,-2.1 -2,-0.1 2,-0.3 -0.877 48.7-164.2 -88.4 119.0 -8.2 18.6 42.7 53 65 A F E +J 20 0C 11 -2,-0.7 21,-1.8 -33,-0.2 2,-0.3 -0.797 17.0 179.9-110.2 147.0 -7.2 21.5 40.5 54 65AA R E -JM 19 73C 44 -35,-2.3 -35,-2.8 -2,-0.3 2,-0.4 -0.945 19.1-135.9-132.9 161.9 -8.5 25.0 40.0 55 66 A V E -JM 18 72C 0 17,-3.0 17,-2.6 -2,-0.3 2,-0.5 -0.933 9.1-156.8-113.0 140.3 -7.5 27.8 37.8 56 67 A V E -JM 17 71C 0 -39,-2.3 -39,-2.2 -2,-0.4 3,-0.3 -0.982 11.2-174.7-116.2 118.1 -7.3 31.5 38.8 57 68 A V E S+ M 0 70C 1 13,-2.3 13,-2.2 -2,-0.5 52,-0.1 -0.764 70.9 33.7 -99.8 159.8 -7.4 34.1 36.1 58 69 A G S S+ 0 0 5 50,-0.7 2,-0.4 -43,-0.4 10,-0.3 0.784 86.4 150.6 65.6 24.4 -7.0 37.7 36.9 59 70 A E + 0 0 16 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.768 15.5 150.7 -93.2 134.5 -4.5 36.7 39.6 60 71 A H S S+ 0 0 8 -2,-0.4 85,-1.8 1,-0.3 2,-0.5 0.666 70.7 34.9-120.3 -48.8 -1.6 39.0 40.6 61 72 A N B > -O 144 0D 13 3,-0.3 3,-1.0 83,-0.2 -1,-0.3 -0.959 60.9-159.2-116.2 117.7 -0.8 38.4 44.2 62 73 A L T 3 S+ 0 0 37 81,-2.6 -1,-0.1 -2,-0.5 82,-0.1 0.722 94.6 43.8 -63.5 -23.9 -1.3 34.8 45.5 63 74 A N T 3 S+ 0 0 102 80,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.333 111.2 49.3-109.3 4.0 -1.5 36.0 49.0 64 75 A Q S < S- 0 0 124 -3,-1.0 2,-0.6 79,-0.2 -3,-0.3 -0.977 86.1 -97.1-145.4 152.2 -3.9 39.1 48.7 65 76 A N - 0 0 138 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.595 32.0-177.2 -69.8 115.9 -7.2 40.0 47.2 66 77 A D - 0 0 27 -2,-0.6 -1,-0.2 -5,-0.2 -4,-0.0 0.632 34.7-130.4 -83.6 -21.7 -6.5 41.7 43.9 67 78 A G S S+ 0 0 63 -3,-0.1 -8,-0.1 1,-0.0 -2,-0.1 0.573 93.9 74.0 79.0 8.5 -10.1 42.5 43.2 68 79 A T + 0 0 26 -10,-0.3 -9,-0.1 40,-0.0 2,-0.1 0.361 64.3 121.5-130.0 -3.5 -9.8 41.0 39.7 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.375 38.1-167.0 -73.9 149.8 -9.6 37.2 40.2 70 81 A Q E -M 57 0C 46 -13,-2.2 -13,-2.3 -2,-0.1 2,-0.5 -0.998 12.2-155.5-127.6 128.4 -12.0 34.6 38.8 71 82 A Y E +M 56 0C 112 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.920 18.4 174.0-107.3 125.6 -11.7 31.2 40.4 72 83 A V E -M 55 0C 6 -17,-2.6 -17,-3.0 -2,-0.5 -2,-0.0 -0.996 27.4-120.6-140.1 135.5 -12.8 28.2 38.2 73 84 A G E -M 54 0C 32 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.323 27.3-115.6 -68.7 151.5 -12.6 24.5 38.6 74 85 A V E +N 99 0C 30 -21,-1.8 25,-0.2 25,-0.2 -21,-0.2 -0.853 32.5 179.0 -84.8 120.3 -10.9 22.2 36.2 75 86 A Q E + 0 0 109 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.792 64.1 13.1 -96.4 -33.2 -13.5 20.0 34.6 76 87 A K E -N 98 0C 84 22,-1.6 22,-2.7 2,-0.0 2,-0.5 -0.997 59.1-155.2-150.5 140.1 -11.4 17.9 32.2 77 88 A I E -N 97 0C 69 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.980 7.1-173.8-119.4 123.2 -7.6 17.3 31.7 78 89 A V E -N 96 0C 28 18,-3.1 18,-2.7 -2,-0.5 2,-0.3 -0.937 9.8-168.8-119.3 104.1 -6.2 16.2 28.4 79 90 A V E -N 95 0C 48 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.642 39.2 -91.5 -88.5 146.4 -2.5 15.4 28.6 80 91 A H > - 0 0 16 14,-2.2 3,-1.8 12,-0.3 -1,-0.1 -0.385 37.0-130.6 -55.7 131.7 -0.5 14.9 25.4 81 92 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.696 103.9 53.1 -67.7 -14.4 -0.7 11.1 24.7 82 93 A Y T 3 S+ 0 0 157 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.475 80.7 121.2 -95.9 -1.5 3.0 10.8 24.3 83 94 A W < - 0 0 33 -3,-1.8 2,-0.4 9,-0.2 9,-0.1 -0.329 38.6-174.5 -60.2 137.9 3.9 12.4 27.6 84 95 A N > - 0 0 77 7,-0.5 3,-2.4 3,-0.3 6,-0.2 -0.939 17.8-151.0-135.4 115.3 5.9 10.2 30.0 85 96 A T T 3 S+ 0 0 67 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.739 96.6 53.1 -59.4 -24.9 6.6 11.7 33.5 86 97 A D T 3 S+ 0 0 147 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.313 110.2 50.2 -94.8 13.0 9.8 9.8 33.9 87 98 A D X + 0 0 72 -3,-2.4 3,-1.7 4,-0.1 4,-0.4 -0.439 55.8 154.6-144.0 63.7 11.2 11.1 30.6 88 99 A V G > S+ 0 0 47 -3,-0.4 3,-1.7 1,-0.3 5,-0.2 0.833 73.0 66.4 -61.6 -31.6 10.7 14.9 30.5 89 99AA A G 3 S+ 0 0 21 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.698 88.1 67.1 -63.4 -19.5 13.6 15.1 28.1 90 99BA A G < S- 0 0 34 -3,-1.7 -1,-0.3 1,-0.3 2,-0.3 0.736 101.7-140.1 -71.4 -21.7 11.6 13.2 25.5 91 100 A G < + 0 0 3 -3,-1.7 -7,-0.5 -4,-0.4 -1,-0.3 -0.685 65.8 121.7 96.2-156.8 9.2 16.2 25.3 92 101 A Y + 0 0 82 -2,-0.3 2,-2.1 1,-0.2 -12,-0.3 0.704 35.4 156.1 63.9 24.9 5.5 16.3 25.0 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.3 -0.511 34.1 105.5 -82.2 75.7 5.2 18.3 28.2 94 103 A I + 0 0 0 -2,-2.1 -14,-2.2 -51,-0.3 2,-0.3 -0.988 38.5 173.2-154.0 145.4 1.9 19.9 27.5 95 104 A A E -LN 42 79C 0 -53,-2.3 -53,-2.7 -2,-0.3 2,-0.4 -0.979 21.2-137.3-151.6 151.5 -1.7 19.5 28.6 96 105 A L E -LN 41 78C 0 -18,-2.7 -18,-3.1 -2,-0.3 2,-0.5 -0.948 13.1-157.6-113.6 139.0 -5.0 21.2 28.1 97 106 A L E -LN 40 77C 0 -57,-2.8 -57,-2.3 -2,-0.4 2,-0.5 -0.962 6.5-149.8-115.7 120.5 -7.5 21.9 30.9 98 107 A R E -LN 39 76C 49 -22,-2.7 -23,-2.7 -2,-0.5 -22,-1.6 -0.806 22.9-136.1 -88.3 128.5 -11.1 22.5 30.1 99 108 A L E - 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