==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-FEB-06 2G4T . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.MUELLER-DIECKMANN,M.S.WEISS . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 65.4 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 . 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 . 21 8.8 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 . 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 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 . 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 1 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 116.9 11.3 -4.4 -1.5 2 2 A V B 3 +A 182 0A 10 180,-2.7 180,-1.9 1,-0.2 134,-0.2 -0.790 360.0 9.2 -86.8 136.9 14.8 -5.1 -2.7 3 3 A G T 3 S+ 0 0 42 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.797 97.8 141.5 64.7 33.6 16.1 -8.6 -2.0 4 4 A G < - 0 0 22 -3,-0.6 2,-0.3 131,-0.1 144,-0.2 -0.288 45.1-134.2 -92.5-178.2 12.7 -9.9 -0.9 5 5 A T E -B 147 0B 85 142,-2.3 142,-2.7 -2,-0.1 2,-0.3 -0.942 39.1 -87.3-129.4 154.7 10.9 -13.1 -1.5 6 6 A E E -B 146 0B 105 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.487 46.8-127.8 -64.7 128.2 7.3 -13.5 -2.5 7 7 A A - 0 0 2 138,-2.8 2,-0.1 -2,-0.3 138,-0.1 -0.425 23.9-105.4 -69.4 140.5 5.0 -13.6 0.6 8 8 A Q >> - 0 0 142 1,-0.1 3,-1.7 -2,-0.1 4,-0.6 -0.490 38.1-110.7 -56.7 143.2 2.5 -16.4 1.1 9 9 A R T 34 S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.697 115.1 35.2 -51.9 -31.9 -1.1 -15.0 0.3 10 10 A N T 34 S+ 0 0 91 1,-0.1 -1,-0.3 2,-0.0 99,-0.0 0.216 90.3 93.9-117.2 13.8 -2.2 -15.2 3.9 11 11 A S T <4 S+ 0 0 52 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.917 99.3 24.2 -72.5 -41.2 1.1 -14.3 5.8 12 12 A W >< + 0 0 24 -4,-0.6 3,-2.0 1,-0.1 -1,-0.2 -0.547 67.3 164.1-128.2 65.6 0.4 -10.5 6.1 13 13 A P T 3 S+ 0 0 29 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.604 73.6 62.2 -66.3 -13.0 -3.5 -10.0 5.9 14 14 A S T 3 S+ 0 0 7 95,-0.2 20,-2.6 97,-0.2 2,-0.3 0.548 79.5 107.8 -83.7 -10.7 -3.3 -6.4 7.4 15 15 A Q E < -I 33 0C 5 -3,-2.0 43,-0.4 18,-0.2 44,-0.4 -0.492 49.4-178.0 -72.0 130.8 -1.2 -5.3 4.4 16 16 A I E -I 32 0C 1 16,-1.9 16,-0.9 -2,-0.3 2,-0.5 -0.847 25.6-127.3-121.4 163.2 -3.0 -3.0 2.0 17 17 A S E -IJ 31 56C 0 39,-2.2 39,-2.4 -2,-0.3 2,-0.6 -0.976 17.8-152.2-106.6 121.5 -2.2 -1.3 -1.4 18 18 A L E -IJ 30 55C 0 12,-3.1 11,-2.8 -2,-0.5 12,-1.8 -0.890 24.7-179.3 -94.1 122.2 -2.9 2.5 -1.5 19 19 A Q E -IJ 28 54C 9 35,-2.7 35,-2.5 -2,-0.6 2,-0.3 -0.840 19.5-148.7-123.9 154.0 -3.7 3.5 -5.1 20 20 A Y E -IJ 27 53C 56 7,-2.3 7,-2.8 -2,-0.3 33,-0.2 -0.922 32.2-101.1-123.2 154.1 -4.5 6.6 -7.0 21 21 A R E +I 26 0C 146 31,-1.6 2,-0.3 -2,-0.3 31,-0.3 -0.518 38.2 179.8 -79.7 141.1 -6.6 7.1 -10.0 22 22 A S E > -I 25 0C 52 3,-2.9 3,-1.8 -2,-0.2 2,-0.3 -0.870 60.0 -53.1-152.5 90.1 -4.5 7.5 -13.1 23 23 A G T 3 S- 0 0 64 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 -0.513 120.6 -21.3 69.1-125.7 -6.6 7.9 -16.3 24 24 A S T 3 S+ 0 0 131 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.315 134.7 58.2 -96.7 9.4 -9.1 5.0 -16.6 25 25 A S E < S-I 22 0C 63 -3,-1.8 -3,-2.9 -5,-0.0 2,-0.4 -0.533 78.4-115.1-126.1-172.2 -6.9 2.9 -14.2 26 26 A W E -I 21 0C 81 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.968 20.3-153.3-128.1 140.7 -5.4 2.9 -10.7 27 27 A A E -I 20 0C 26 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.2 -0.985 19.9-122.2-119.6 131.2 -1.7 2.9 -9.8 28 28 A H E +I 19 0C 17 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.486 39.5 161.0 -58.7 128.4 -0.2 1.5 -6.6 29 29 A T E - 0 0 21 -11,-2.8 2,-0.3 1,-0.4 159,-0.2 0.645 56.0 -1.2-118.9 -30.3 1.7 4.3 -4.8 30 30 A a E -I 18 0C 5 -12,-1.8 -12,-3.1 157,-0.1 -1,-0.4 -0.963 61.4-110.8-156.1 165.3 2.2 3.1 -1.2 31 31 A G E +I 17 0C 0 157,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.381 30.0 179.0 -95.4 177.8 1.5 0.5 1.4 32 32 A G E -I 16 0C 0 -16,-0.9 -16,-1.9 10,-0.1 2,-0.4 -0.944 24.7-120.8-167.4 170.7 -0.7 0.7 4.4 33 33 A T E -IK 15 41C 0 8,-2.2 8,-3.2 -2,-0.3 2,-0.4 -0.991 21.2-131.5-130.5 119.4 -1.9 -1.3 7.4 34 34 A L E + K 0 40C 0 -20,-2.6 78,-3.2 -2,-0.4 6,-0.2 -0.615 36.4 162.8 -63.4 117.0 -5.6 -2.1 8.1 35 35 A I E + 0 0 3 4,-2.6 2,-0.3 -2,-0.4 5,-0.2 0.592 66.7 17.1-117.0 -20.5 -6.0 -1.2 11.8 36 36 A R E > S- K 0 39C 92 3,-1.8 3,-1.3 74,-0.1 -1,-0.4 -0.866 89.4-102.2-135.8 168.0 -9.9 -1.0 12.0 37 37 A Q T 3 S+ 0 0 90 -2,-0.3 66,-2.9 1,-0.3 64,-0.1 0.772 127.5 27.0 -65.4 -24.3 -12.4 -2.4 9.5 38 38 A N T 3 S+ 0 0 50 64,-0.3 61,-1.9 62,-0.1 2,-0.4 -0.023 113.7 77.5-120.9 26.7 -12.8 1.2 8.2 39 39 A W E < -KL 36 98C 5 -3,-1.3 -4,-2.6 59,-0.2 -3,-1.8 -0.978 51.5-170.3-143.7 125.5 -9.3 2.7 9.1 40 40 A V E -KL 34 97C 0 57,-2.7 57,-2.9 -2,-0.4 2,-0.5 -0.953 14.6-143.1-113.0 136.7 -5.9 2.3 7.4 41 41 A M E +KL 33 96C 0 -8,-3.2 -8,-2.2 -2,-0.4 2,-0.2 -0.873 36.7 146.9 -94.8 130.8 -2.5 3.5 8.8 42 42 A T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.4 -0.763 50.5 -70.8-145.5-174.6 -0.0 4.8 6.3 43 43 A A >> - 0 0 0 -12,-0.4 3,-1.0 51,-0.3 4,-0.5 -0.735 33.6-134.2 -86.3 138.0 2.8 7.4 5.9 44 44 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.855 105.7 60.2 -56.4 -39.9 1.8 11.1 5.8 45 45 A H G >4 S+ 0 0 55 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.747 91.8 67.1 -65.8 -24.0 4.0 11.6 2.8 46 46 A a G <4 S+ 0 0 3 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.786 108.2 39.7 -64.9 -23.3 2.0 9.0 0.7 47 47 A V G << S+ 0 0 15 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.090 80.2 104.1-117.4 23.6 -0.9 11.4 0.8 48 48 A D < + 0 0 57 -3,-1.3 2,-0.1 2,-0.1 -1,-0.1 0.903 68.7 83.2 -66.0 -38.3 0.8 14.9 0.3 49 49 A R S S- 0 0 129 -4,-0.4 2,-2.0 -3,-0.2 0, 0.0 -0.440 89.4-122.2 -72.2 144.9 -0.4 14.8 -3.3 50 50 A E + 0 0 193 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.501 64.8 136.8 -82.5 65.8 -3.9 16.0 -4.0 51 51 A L - 0 0 64 -2,-2.0 2,-0.6 -4,-0.1 -31,-0.0 -0.607 63.5-103.3-110.8 167.1 -5.0 12.7 -5.7 52 52 A T - 0 0 92 -31,-0.3 -31,-1.6 -2,-0.2 2,-0.3 -0.868 47.9-163.9 -89.3 120.8 -8.0 10.4 -5.6 53 53 A F E -J 20 0C 13 -2,-0.6 21,-1.7 -33,-0.2 2,-0.3 -0.820 16.5-179.6-112.8 147.6 -7.0 7.5 -3.5 54 54 A R E -JM 19 73C 46 -35,-2.5 -35,-2.7 -2,-0.3 2,-0.4 -0.959 19.4-134.5-135.7 160.5 -8.5 4.0 -2.9 55 55 A V E -JM 18 72C 0 17,-3.5 17,-3.0 -2,-0.3 2,-0.5 -0.918 10.1-157.8-113.1 136.3 -7.4 1.1 -0.7 56 56 A V E -JM 17 71C 0 -39,-2.4 -39,-2.2 -2,-0.4 3,-0.3 -0.982 11.2-175.2-112.6 119.5 -7.2 -2.5 -1.8 57 57 A V E + M 0 70C 1 13,-2.2 13,-2.6 -2,-0.5 52,-0.1 -0.728 69.7 32.2 -99.8 159.3 -7.4 -5.2 0.9 58 58 A G S S+ 0 0 5 50,-0.6 2,-0.5 -43,-0.4 10,-0.3 0.775 86.7 150.8 62.5 27.2 -7.0 -8.9 0.2 59 59 A E + 0 0 18 -44,-0.4 -1,-0.3 -3,-0.3 3,-0.1 -0.795 15.1 151.0 -91.4 127.6 -4.5 -7.9 -2.5 60 60 A H S S+ 0 0 9 -2,-0.5 85,-1.8 1,-0.3 2,-0.6 0.683 70.4 34.8-115.1 -48.4 -1.6 -10.2 -3.5 61 61 A N B > -O 144 0D 10 3,-0.4 3,-1.1 83,-0.2 -1,-0.3 -0.951 62.5-159.0-114.8 113.1 -0.8 -9.6 -7.2 62 62 A L T 3 S+ 0 0 39 81,-2.9 -1,-0.1 -2,-0.6 82,-0.1 0.786 95.0 43.2 -56.7 -28.3 -1.2 -6.0 -8.4 63 63 A N T 3 S+ 0 0 108 80,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.402 111.3 52.1-104.5 2.1 -1.5 -7.2 -12.0 64 64 A Q S < S- 0 0 125 -3,-1.1 2,-0.7 79,-0.2 -3,-0.4 -0.973 86.2 -99.8-139.2 150.2 -3.9 -10.3 -11.7 65 65 A N - 0 0 137 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.590 32.1-177.0 -63.7 108.2 -7.2 -11.2 -10.2 66 66 A D - 0 0 24 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.707 34.7-130.7 -77.9 -21.4 -6.5 -12.9 -6.9 67 67 A G S S+ 0 0 61 -3,-0.1 -8,-0.1 2,-0.0 -2,-0.1 0.509 94.6 75.3 79.7 5.6 -10.2 -13.6 -6.2 68 68 A T + 0 0 27 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.486 64.5 121.2-127.3 -7.5 -9.8 -12.1 -2.7 69 69 A E - 0 0 27 -13,-0.1 2,-0.4 1,-0.0 -11,-0.2 -0.300 37.5-168.5 -70.7 139.4 -9.6 -8.3 -3.2 70 70 A Q E -M 57 0C 44 -13,-2.6 -13,-2.2 -2,-0.1 2,-0.5 -1.000 12.7-152.7-118.7 133.5 -11.9 -5.7 -1.8 71 71 A Y E +M 56 0C 110 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.882 18.2 176.6-110.3 125.1 -11.7 -2.2 -3.2 72 72 A V E -M 55 0C 9 -17,-3.0 -17,-3.5 -2,-0.5 2,-0.1 -0.993 25.6-123.7-137.4 135.7 -12.7 0.8 -1.1 73 73 A G E -M 54 0C 32 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.365 27.2-117.2 -67.1 146.5 -12.6 4.6 -1.4 74 74 A V E +N 99 0C 30 -21,-1.7 25,-0.2 25,-0.2 -21,-0.2 -0.827 33.1 177.0 -83.3 119.5 -10.8 6.8 1.0 75 75 A Q E + 0 0 114 23,-2.3 2,-0.3 -2,-0.6 24,-0.2 0.792 65.1 16.3 -93.3 -36.2 -13.4 9.0 2.6 76 76 A K E -N 98 0C 79 22,-1.6 22,-2.2 2,-0.0 2,-0.5 -0.999 59.0-157.5-144.8 139.3 -11.2 11.0 5.1 77 77 A I E -N 97 0C 69 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.983 8.4-174.7-119.3 121.5 -7.5 11.6 5.4 78 78 A V E -N 96 0C 30 18,-3.3 18,-2.6 -2,-0.5 2,-0.2 -0.919 7.7-170.2-117.8 109.1 -6.0 12.6 8.8 79 79 A V E -N 95 0C 45 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.614 39.3 -91.7 -93.0 148.0 -2.3 13.5 8.7 80 80 A H > - 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