==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEASE) 06-JUN-00 1E34 . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR P.A.WRIGHT,R.C.WILMOUTH,I.J.CLIFTON,C.J.SCHOFIELD . 241 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 66.4 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 34.4 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 . 22 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.1 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 B V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.1 -11.4 33.2 35.7 2 17 B V B 3 +A 182 0A 10 180,-2.5 180,-1.8 1,-0.2 134,-0.1 -0.794 360.0 14.5 -94.0 139.4 -14.9 34.0 34.5 3 18 B G T 3 S+ 0 0 42 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.747 97.5 138.3 71.7 21.4 -16.2 37.5 35.3 4 19 B G < - 0 0 22 -3,-0.6 2,-0.3 131,-0.1 144,-0.2 -0.292 46.4-135.9 -93.0-178.6 -12.7 38.8 36.3 5 20 B T E -B 147 0B 86 142,-2.3 142,-2.2 -2,-0.1 2,-0.3 -0.921 39.5 -86.9-127.7 154.0 -10.9 42.0 35.6 6 21 B E E -B 146 0B 111 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.482 47.2-128.0 -65.4 129.2 -7.2 42.3 34.6 7 22 B A - 0 0 1 138,-2.7 2,-0.2 -2,-0.3 138,-0.1 -0.523 25.1-102.9 -73.0 151.1 -5.0 42.4 37.7 8 23 B Q > - 0 0 121 -2,-0.2 3,-2.1 1,-0.1 4,-0.5 -0.458 38.7-109.5 -68.5 143.5 -2.5 45.2 38.1 9 24 B R T 3 S+ 0 0 104 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.778 113.5 33.7 -42.4 -39.2 1.0 43.9 37.3 10 25 B N T 3 S+ 0 0 70 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.218 89.7 96.5-111.6 21.8 2.3 43.9 40.9 11 26 B S S < S+ 0 0 54 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.903 94.3 26.4 -76.1 -40.4 -0.9 43.1 42.9 12 27 B W > + 0 0 29 -4,-0.5 3,-2.0 -3,-0.1 -1,-0.2 -0.580 65.3 166.1-126.8 73.2 -0.3 39.3 43.3 13 28 B P T 3 S+ 0 0 32 0, 0.0 97,-1.5 0, 0.0 45,-0.4 0.609 73.3 60.9 -72.9 -8.5 3.5 38.6 43.2 14 29 B S T 3 S+ 0 0 9 95,-0.2 20,-2.8 97,-0.1 2,-0.3 0.561 78.6 108.0 -91.3 -10.2 3.2 35.1 44.6 15 30 B Q E < -I 33 0C 5 -3,-2.0 44,-0.4 18,-0.2 43,-0.4 -0.517 50.5-173.7 -66.9 133.7 1.0 33.9 41.7 16 31 B I E -I 32 0C 0 16,-2.5 16,-1.1 -2,-0.3 2,-0.5 -0.847 23.6-130.0-123.4 159.9 3.0 31.6 39.3 17 32 B S E -IJ 31 56C 0 39,-2.1 39,-2.4 -2,-0.3 2,-0.6 -0.956 18.5-153.6-105.2 122.6 2.1 30.1 36.0 18 33 B L E +IJ 30 55C 0 12,-3.4 11,-3.0 -2,-0.5 12,-2.0 -0.908 23.9 179.9-100.2 120.8 2.8 26.3 35.8 19 34 B Q E -IJ 28 54C 10 35,-2.7 35,-2.5 -2,-0.6 2,-0.3 -0.880 20.3-144.0-122.8 158.1 3.5 25.2 32.3 20 35 B Y E -IJ 27 53C 61 7,-2.4 7,-2.7 -2,-0.3 2,-0.3 -0.901 31.1-101.9-125.5 148.3 4.3 22.1 30.4 21 36 B R E +I 26 0C 132 31,-2.0 2,-0.4 -2,-0.3 31,-0.3 -0.541 37.8 180.0 -69.5 131.3 6.5 21.5 27.4 22 36AB S E > -I 25 0C 57 3,-3.3 3,-2.4 -2,-0.3 2,-0.2 -0.928 56.9 -62.7-137.3 97.5 4.5 21.2 24.2 23 36BB G T 3 S- 0 0 73 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.305 120.2 -10.8 64.4-118.8 6.6 20.7 21.1 24 36CB S T 3 S+ 0 0 132 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.545 134.7 45.4 -89.1 -5.3 8.9 23.7 20.6 25 37 B S E < S-I 22 0C 63 -3,-2.4 -3,-3.3 -5,-0.0 2,-0.4 -0.499 77.7-107.2-128.7-167.3 7.0 25.7 23.2 26 38 B W E -I 21 0C 87 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.946 22.6-154.9-125.2 145.4 5.4 25.8 26.6 27 39 B A E -I 20 0C 27 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.2 -0.990 19.7-122.4-126.9 132.0 1.8 25.8 27.5 28 40 B H E +I 19 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.460 38.4 160.6 -64.2 135.4 0.1 27.2 30.7 29 41 B T E - 0 0 14 -11,-3.0 2,-0.3 1,-0.4 159,-0.2 0.640 57.5 -3.9-127.7 -27.4 -1.8 24.5 32.4 30 42 B a E -I 18 0C 0 -12,-2.0 -12,-3.4 157,-0.1 -1,-0.4 -0.972 59.8-115.3-156.3 170.2 -2.3 25.7 36.0 31 43 B G E +I 17 0C 0 157,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.455 29.7 177.5 -99.5-173.6 -1.5 28.4 38.6 32 44 B G E -I 16 0C 0 -16,-1.1 -16,-2.5 -2,-0.2 2,-0.4 -0.933 26.8-113.6-170.5 176.4 0.5 28.0 41.8 33 45 B T E -IK 15 41C 0 8,-2.7 8,-3.3 -2,-0.3 2,-0.5 -0.995 21.9-129.6-128.5 126.7 1.7 30.0 44.7 34 46 B L E + K 0 40C 1 -20,-2.8 78,-3.3 -2,-0.4 6,-0.2 -0.642 36.4 164.1 -71.1 119.4 5.4 30.7 45.3 35 47 B I E + 0 0 2 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.607 66.1 16.6-115.1 -19.4 5.9 29.8 49.0 36 48 B R E > S- K 0 39C 88 3,-1.7 3,-1.6 74,-0.1 -1,-0.3 -0.917 89.6-101.4-136.6 165.2 9.7 29.6 49.3 37 49 B Q T 3 S+ 0 0 89 -2,-0.3 66,-2.9 1,-0.3 64,-0.1 0.775 127.9 27.1 -62.2 -19.5 12.3 30.9 46.8 38 50 B N T 3 S+ 0 0 51 64,-0.2 61,-2.1 1,-0.1 2,-0.4 0.064 113.1 77.6-125.0 21.7 12.6 27.3 45.6 39 51 B W E < -KL 36 98C 5 -3,-1.6 -4,-2.6 59,-0.2 -3,-1.7 -0.982 51.1-170.1-135.4 140.0 9.1 25.9 46.4 40 52 B V E -KL 34 97C 0 57,-2.4 57,-2.9 -2,-0.4 2,-0.5 -0.948 13.4-146.4-124.5 138.0 5.7 26.3 44.8 41 53 B M E +KL 33 96C 0 -8,-3.3 -8,-2.7 -2,-0.4 2,-0.2 -0.889 36.3 144.6 -99.7 129.2 2.4 25.2 46.2 42 54 B T E - L 0 95C 0 53,-2.8 53,-2.2 -2,-0.5 2,-0.4 -0.727 51.5 -68.3-143.9-168.8 -0.1 24.0 43.6 43 55 B A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.5 -0.740 31.4-135.2 -90.7 143.3 -2.9 21.4 43.1 44 56 B A G > S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.864 105.5 61.5 -60.9 -34.8 -2.0 17.7 43.0 45 57 B H G > S+ 0 0 36 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.752 94.5 63.8 -66.9 -21.0 -4.4 17.3 40.0 46 58 B a G < S+ 0 0 0 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.717 107.7 40.7 -71.2 -23.8 -2.2 19.8 38.0 47 59 B V G < S+ 0 0 15 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.141 81.2 104.9-115.9 29.7 0.8 17.4 38.1 48 60 B D < + 0 0 48 -3,-1.0 2,-0.2 2,-0.1 -1,-0.1 0.831 65.4 79.3 -74.9 -35.2 -1.0 14.1 37.6 49 61 B R S S- 0 0 73 -4,-0.3 2,-2.4 -3,-0.2 0, 0.0 -0.518 89.9-120.1 -76.8 145.7 0.2 13.9 34.0 50 62 B E + 0 0 198 -2,-0.2 -1,-0.1 2,-0.0 2,-0.1 -0.162 67.0 138.4 -76.1 49.6 3.8 12.7 33.4 51 63 B L - 0 0 62 -2,-2.4 2,-0.6 1,-0.0 -31,-0.0 -0.387 62.5-103.5 -95.4 169.1 4.7 16.0 31.6 52 64 B T - 0 0 71 -31,-0.3 -31,-2.0 -2,-0.1 2,-0.3 -0.870 46.6-163.1 -90.8 123.3 7.8 18.2 31.7 53 65 B F E -J 20 0C 12 -2,-0.6 21,-1.4 -33,-0.2 2,-0.3 -0.748 17.5-178.1-113.9 152.8 6.9 21.3 33.9 54 65AB R E -JM 19 73C 48 -35,-2.5 -35,-2.7 -2,-0.3 2,-0.4 -0.957 19.1-136.6-137.5 158.1 8.3 24.7 34.4 55 66 B V E -JM 18 72C 0 17,-3.2 17,-2.8 -2,-0.3 2,-0.5 -0.944 10.2-157.9-113.5 141.0 7.3 27.5 36.7 56 67 B V E -JM 17 71C 0 -39,-2.4 -39,-2.1 -2,-0.4 3,-0.3 -0.983 10.8-173.1-117.8 120.4 7.1 31.1 35.5 57 68 B V E + M 0 70C 1 13,-2.3 13,-2.0 -2,-0.5 52,-0.1 -0.734 69.7 30.7-106.6 158.7 7.3 33.8 38.3 58 69 B G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.4 10,-0.2 0.824 86.9 152.2 62.2 33.9 6.8 37.5 37.6 59 70 B E + 0 0 18 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.704 15.6 151.1 -95.0 143.2 4.4 36.6 34.8 60 71 B H + 0 0 5 1,-0.4 85,-1.7 -2,-0.3 2,-0.6 0.501 69.6 33.9-133.8 -52.3 1.6 38.9 33.7 61 72 B N B > -O 144 0D 13 3,-0.3 3,-1.0 83,-0.2 -1,-0.4 -0.951 63.6-159.2-111.9 118.3 0.8 38.4 30.0 62 73 B L T 3 S+ 0 0 38 81,-2.9 -1,-0.1 -2,-0.6 82,-0.1 0.711 90.4 47.1 -65.9 -27.1 1.3 34.8 28.8 63 74 B N T 3 S+ 0 0 105 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.319 110.8 50.8-100.1 8.9 1.6 35.7 25.1 64 75 B Q S < S- 0 0 129 -3,-1.0 2,-0.5 79,-0.2 -3,-0.3 -0.989 85.1-104.1-143.5 152.2 4.1 38.6 25.4 65 76 B N - 0 0 129 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.640 30.1-178.4 -74.4 129.6 7.5 39.4 27.0 66 77 B N - 0 0 31 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.466 38.2-127.8-101.0 -14.4 6.7 41.6 30.1 67 78 B G S S+ 0 0 56 1,-0.1 -2,-0.1 -3,-0.0 -8,-0.1 0.780 93.9 81.1 66.7 30.7 10.4 41.9 30.9 68 79 B T + 0 0 26 -10,-0.2 2,-0.1 -11,-0.1 40,-0.1 0.376 62.9 114.1-136.5 -7.3 9.8 40.7 34.5 69 80 B E - 0 0 24 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.420 42.3-164.8 -78.3 148.3 9.6 36.9 34.2 70 81 B Q E -M 57 0C 46 -13,-2.0 -13,-2.3 -2,-0.1 2,-0.5 -0.998 13.2-151.9-127.8 131.9 12.0 34.3 35.6 71 82 B Y E +M 56 0C 110 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.929 19.0 174.0-111.1 124.7 11.7 30.8 34.1 72 83 B V E -M 55 0C 8 -17,-2.8 -17,-3.2 -2,-0.5 -2,-0.0 -0.993 26.6-124.3-139.4 140.5 12.6 27.8 36.3 73 84 B G E -M 54 0C 30 -2,-0.4 27,-2.6 -19,-0.2 2,-0.6 -0.291 28.1-115.7 -75.9 157.5 12.4 24.0 35.9 74 85 B V E -N 99 0C 30 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.893 31.3-179.9 -95.2 116.3 10.6 21.8 38.4 75 86 B Q E + 0 0 108 23,-2.6 2,-0.3 -2,-0.6 24,-0.2 0.823 65.6 15.1 -89.5 -34.5 13.2 19.5 40.0 76 87 B K E -N 98 0C 83 22,-1.8 22,-2.7 2,-0.0 2,-0.5 -0.999 59.7-155.5-146.4 140.6 11.0 17.6 42.3 77 88 B I E -N 97 0C 66 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.964 8.7-175.3-117.4 121.8 7.2 17.0 42.7 78 89 B V E -N 96 0C 29 18,-3.3 18,-2.7 -2,-0.5 2,-0.3 -0.916 7.5-170.8-115.7 106.1 5.7 16.0 46.0 79 90 B V E -N 95 0C 42 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.671 41.0 -90.6 -89.4 150.5 2.0 15.3 45.9 80 91 B H > - 0 0 25 14,-2.4 3,-2.0 12,-0.3 -1,-0.1 -0.380 37.7-129.6 -56.0 131.1 0.0 14.8 49.1 81 92 B P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.685 104.7 53.9 -63.5 -16.3 0.2 11.0 49.7 82 93 B Y T 3 S+ 0 0 171 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.428 80.1 121.2 -94.7 0.5 -3.5 10.7 50.2 83 94 B W < - 0 0 28 -3,-2.0 2,-0.4 9,-0.2 9,-0.1 -0.400 42.2-169.4 -63.7 138.5 -4.4 12.3 46.9 84 95 B N > - 0 0 65 7,-0.5 3,-2.6 3,-0.3 6,-0.2 -0.929 18.1-153.0-134.8 113.1 -6.4 10.1 44.5 85 96 B T T 3 S+ 0 0 78 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.767 96.8 57.6 -47.3 -39.8 -6.9 11.2 40.9 86 97 B D T 3 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.463 111.7 43.1 -73.0 -7.5 -10.2 9.3 40.7 87 98 B D X + 0 0 74 -3,-2.6 3,-1.8 4,-0.1 4,-0.5 -0.489 51.7 161.1-143.0 72.8 -11.6 11.2 43.6 88 99 B V G > S+ 0 0 38 -3,-0.4 3,-1.3 1,-0.3 5,-0.2 0.846 80.8 65.0 -61.6 -28.9 -11.0 15.0 43.6 89 99AB A G 3 S+ 0 0 22 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.715 87.3 68.1 -68.4 -17.3 -13.9 15.3 46.1 90 99BB A G < S- 0 0 35 -3,-1.8 2,-0.3 1,-0.3 -1,-0.3 0.741 101.5-141.8 -74.0 -21.5 -12.0 13.3 48.7 91 100 B G < + 0 0 3 -3,-1.3 -7,-0.5 -4,-0.5 -1,-0.3 -0.665 66.6 120.2 99.3-156.2 -9.6 16.3 49.0 92 101 B Y + 0 0 77 -2,-0.3 2,-2.0 1,-0.2 -12,-0.3 0.706 36.7 155.8 60.2 29.6 -5.9 16.3 49.4 93 102 B D + 0 0 1 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.555 33.2 107.9 -88.4 77.7 -5.6 18.2 46.1 94 103 B I + 0 0 0 -2,-2.0 -14,-2.4 -51,-0.3 2,-0.3 -0.982 38.8 174.8-154.0 144.2 -2.2 19.8 46.9 95 104 B A E -LN 42 79C 0 -53,-2.2 -53,-2.8 -2,-0.3 2,-0.4 -0.982 20.5-139.2-151.8 150.4 1.3 19.4 45.8 96 105 B L E -LN 41 78C 0 -18,-2.7 -18,-3.3 -2,-0.3 2,-0.5 -0.958 13.6-157.2-116.4 132.7 4.7 21.0 46.4 97 106 B L E -LN 40 77C 0 -57,-2.9 -57,-2.4 -2,-0.4 2,-0.6 -0.961 7.2-148.1-111.9 119.4 7.1 21.6 43.6 98 107 B R E -LN 39 76C 41 -22,-2.7 -23,-2.6 -2,-0.5 -22,-1.8 -0.817 23.2-134.5 -84.1 124.4 10.8 22.1 44.4 99 108 B L E - 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