==== 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 2G4U . 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) . 10511.0 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 . 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 . 30 12.5 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 . 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,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.7 11.2 -4.4 -1.6 2 2 A V B 3 +A 182 0A 6 180,-2.6 180,-1.9 1,-0.2 134,-0.1 -0.817 360.0 11.8 -95.3 135.9 14.8 -5.2 -2.7 3 3 A G T 3 S+ 0 0 43 132,-0.6 146,-0.3 -2,-0.4 -1,-0.2 0.752 97.6 138.8 72.3 27.0 16.1 -8.7 -1.9 4 4 A G < - 0 0 22 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.224 46.5-135.9 -93.7-179.8 12.7 -10.0 -0.9 5 5 A T E -B 147 0B 88 142,-2.3 142,-2.5 -2,-0.1 2,-0.3 -0.921 40.3 -84.7-131.8 157.2 10.9 -13.3 -1.5 6 6 A E E -B 146 0B 105 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.520 46.7-125.7 -68.6 128.3 7.2 -13.6 -2.5 7 7 A A - 0 0 3 138,-2.5 2,-0.2 -2,-0.3 138,-0.1 -0.429 24.1-108.1 -62.9 138.2 4.9 -13.6 0.5 8 8 A Q > - 0 0 136 -2,-0.1 3,-1.8 1,-0.1 4,-0.5 -0.525 37.2-110.7 -60.2 141.1 2.5 -16.4 1.0 9 9 A R T 3 S+ 0 0 107 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.702 113.4 37.4 -50.9 -31.9 -1.0 -15.1 0.2 10 10 A N T 3 S+ 0 0 94 1,-0.1 -1,-0.3 2,-0.0 99,-0.0 0.274 90.4 92.1-111.8 16.2 -2.2 -15.3 3.9 11 11 A S S < S+ 0 0 52 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.870 96.4 25.9 -74.5 -38.6 0.9 -14.3 5.8 12 12 A W > + 0 0 25 -4,-0.5 3,-2.0 1,-0.1 -1,-0.2 -0.571 65.9 164.1-131.4 63.2 0.3 -10.5 6.1 13 13 A P T 3 S+ 0 0 31 0, 0.0 97,-1.4 0, 0.0 45,-0.3 0.573 72.7 60.8 -67.3 -12.2 -3.5 -10.0 5.9 14 14 A S T 3 S+ 0 0 8 95,-0.2 20,-2.8 97,-0.1 2,-0.2 0.530 78.9 108.6 -86.1 -8.6 -3.3 -6.4 7.3 15 15 A Q E < -I 33 0C 6 -3,-2.0 43,-0.5 18,-0.2 44,-0.4 -0.513 50.2-174.2 -69.3 133.7 -1.1 -5.2 4.4 16 16 A I E -I 32 0C 0 16,-2.4 16,-1.0 -2,-0.2 2,-0.5 -0.848 23.8-129.3-123.0 161.0 -3.1 -2.9 2.0 17 17 A S E -IJ 31 56C 0 39,-2.2 39,-2.4 -2,-0.3 2,-0.6 -0.971 18.3-153.1-107.0 120.6 -2.2 -1.3 -1.4 18 18 A L E -IJ 30 55C 0 12,-3.4 11,-2.8 -2,-0.5 12,-2.0 -0.866 24.0-178.4 -96.0 121.3 -2.9 2.5 -1.5 19 19 A Q E -IJ 28 54C 11 35,-2.9 35,-2.4 -2,-0.6 2,-0.3 -0.843 19.0-147.2-123.8 155.9 -3.7 3.5 -5.0 20 20 A Y E -IJ 27 53C 57 7,-2.4 7,-2.6 -2,-0.3 2,-0.3 -0.933 28.7-105.1-124.8 154.2 -4.4 6.6 -7.0 21 21 A R E +I 26 0C 109 31,-1.8 2,-0.4 -2,-0.3 31,-0.3 -0.565 38.9 173.4 -77.3 127.5 -6.6 7.2 -10.0 22 22 A S E > -I 25 0C 45 3,-3.0 3,-1.9 -2,-0.3 2,-0.2 -0.935 61.7 -42.5-138.4 117.3 -4.7 7.7 -13.3 23 23 A G T 3 S- 0 0 72 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.484 121.5 -28.6 63.1-134.1 -6.6 8.0 -16.5 24 24 A S T 3 S+ 0 0 107 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.182 132.6 63.8 -96.5 16.5 -9.2 5.3 -16.5 25 25 A S E < S-I 22 0C 64 -3,-1.9 -3,-3.0 -5,-0.0 2,-0.4 -0.641 76.6-116.9-127.5-173.3 -7.1 3.1 -14.2 26 26 A W E -I 21 0C 80 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.959 19.4-155.1-128.3 143.4 -5.5 2.9 -10.8 27 27 A A E -I 20 0C 25 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.2 -0.982 20.3-121.1-123.2 131.7 -1.8 2.9 -9.8 28 28 A H E +I 19 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.486 39.6 159.6 -61.2 131.0 -0.3 1.5 -6.7 29 29 A T E - 0 0 24 -11,-2.8 2,-0.3 1,-0.4 159,-0.2 0.635 56.7 -1.4-121.4 -28.6 1.7 4.2 -4.9 30 30 A a E -I 18 0C 5 -12,-2.0 -12,-3.4 157,-0.1 -1,-0.4 -0.976 60.4-112.2-155.5 165.5 2.1 3.1 -1.3 31 31 A G E +I 17 0C 1 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.394 28.9 179.8 -92.2 178.1 1.5 0.5 1.4 32 32 A G E -I 16 0C 0 -16,-1.0 -16,-2.4 10,-0.1 2,-0.4 -0.955 25.1-120.4-167.5 169.0 -0.7 0.7 4.5 33 33 A T E -IK 15 41C 0 8,-2.4 8,-3.0 -2,-0.3 2,-0.5 -0.994 22.4-131.1-125.2 122.8 -1.8 -1.3 7.4 34 34 A L E + K 0 40C 1 -20,-2.8 78,-3.5 -2,-0.4 6,-0.2 -0.634 35.0 165.1 -69.9 119.8 -5.5 -2.0 8.1 35 35 A I E + 0 0 2 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.614 65.4 14.4-116.9 -20.2 -6.0 -1.2 11.8 36 36 A R E > S- K 0 39C 89 3,-1.8 3,-1.4 74,-0.1 -1,-0.4 -0.919 89.1 -99.4-136.8 169.6 -9.8 -1.0 12.0 37 37 A Q T 3 S+ 0 0 89 -2,-0.3 66,-2.2 1,-0.3 64,-0.1 0.796 127.6 27.3 -60.2 -25.1 -12.4 -2.3 9.6 38 38 A N T 3 S+ 0 0 51 64,-0.2 61,-2.5 1,-0.1 2,-0.4 0.105 112.7 76.6-123.0 21.7 -12.7 1.3 8.3 39 39 A W E < -KL 36 98C 4 -3,-1.4 -4,-2.6 59,-0.2 -3,-1.8 -0.988 51.3-169.3-137.5 134.6 -9.3 2.8 9.1 40 40 A V E -KL 34 97C 0 57,-2.5 57,-3.2 -2,-0.4 2,-0.5 -0.938 13.9-144.4-117.8 139.5 -5.8 2.4 7.5 41 41 A M E +KL 33 96C 0 -8,-3.0 -8,-2.4 -2,-0.4 2,-0.2 -0.907 36.3 145.7-101.0 127.6 -2.5 3.5 8.8 42 42 A T E - L 0 95C 0 53,-2.8 53,-2.2 -2,-0.5 2,-0.4 -0.731 50.2 -69.1-145.7-173.6 -0.0 4.9 6.3 43 43 A A >> - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.5 -0.749 32.0-135.7 -88.6 138.7 2.8 7.4 5.8 44 44 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.863 105.4 60.9 -53.4 -40.2 1.9 11.1 5.7 45 45 A H G >4 S+ 0 0 54 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.795 92.9 66.7 -67.0 -23.3 4.2 11.6 2.7 46 46 A a G <4 S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.747 107.6 39.6 -65.4 -24.1 2.0 9.1 0.7 47 47 A V G << S+ 0 0 15 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.193 79.7 103.3-119.7 24.3 -0.9 11.5 0.8 48 48 A D < + 0 0 58 -3,-1.2 -1,-0.1 -4,-0.1 -2,-0.1 0.905 68.8 82.8 -65.5 -36.8 0.8 14.9 0.3 49 49 A R S S- 0 0 123 -4,-0.4 2,-2.1 -3,-0.2 0, 0.0 -0.441 89.5-123.0 -75.3 146.8 -0.4 14.9 -3.3 50 50 A E + 0 0 195 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.360 64.0 138.5 -84.7 59.7 -3.9 16.0 -4.0 51 51 A L - 0 0 62 -2,-2.1 2,-0.6 -4,-0.1 -31,-0.0 -0.500 63.3-102.4-103.8 169.0 -4.9 12.8 -5.7 52 52 A T - 0 0 92 -31,-0.3 -31,-1.8 -2,-0.2 2,-0.3 -0.841 47.8-164.0 -87.9 120.2 -8.0 10.5 -5.7 53 53 A F E +J 20 0C 14 -2,-0.6 21,-1.5 -33,-0.2 2,-0.3 -0.800 16.3 179.4-111.5 147.6 -7.0 7.5 -3.4 54 54 A R E -JM 19 73C 48 -35,-2.4 -35,-2.9 -2,-0.3 2,-0.4 -0.952 19.6-135.2-133.9 162.0 -8.5 4.1 -2.9 55 55 A V E -JM 18 72C 0 17,-3.0 17,-2.5 -2,-0.3 2,-0.5 -0.951 9.6-159.0-115.2 136.9 -7.5 1.2 -0.7 56 56 A V E -JM 17 71C 0 -39,-2.4 -39,-2.2 -2,-0.4 3,-0.3 -0.975 11.3-174.6-115.4 122.9 -7.3 -2.5 -1.8 57 57 A V E + M 0 70C 1 13,-2.3 13,-2.1 -2,-0.5 52,-0.1 -0.787 68.8 32.8-106.8 159.3 -7.4 -5.1 0.9 58 58 A G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.5 10,-0.3 0.832 86.2 150.6 65.8 26.6 -6.9 -8.8 0.3 59 59 A E + 0 0 21 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.743 16.4 152.7 -93.0 143.0 -4.5 -7.9 -2.5 60 60 A H S S+ 0 0 8 -2,-0.3 85,-1.8 1,-0.3 2,-0.5 0.547 70.0 34.2-129.0 -51.4 -1.6 -10.2 -3.5 61 61 A N B > -O 144 0D 10 3,-0.3 3,-1.1 83,-0.2 -1,-0.3 -0.958 60.5-160.7-116.4 117.1 -0.8 -9.7 -7.2 62 62 A L T 3 S+ 0 0 39 81,-2.6 -1,-0.1 -2,-0.5 82,-0.1 0.698 94.1 46.1 -67.4 -19.1 -1.3 -6.1 -8.5 63 63 A N T 3 S+ 0 0 101 80,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.323 111.0 50.8-110.2 8.0 -1.4 -7.4 -12.1 64 64 A Q S < S- 0 0 124 -3,-1.1 2,-0.6 79,-0.2 -3,-0.3 -0.989 85.3-102.5-145.8 150.2 -3.8 -10.4 -11.7 65 65 A N - 0 0 136 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.645 32.5-178.9 -72.5 117.2 -7.3 -11.2 -10.3 66 66 A D - 0 0 28 -2,-0.6 -1,-0.2 -5,-0.2 -4,-0.0 0.589 35.9-129.0 -89.6 -16.2 -6.7 -13.0 -6.9 67 67 A G S S+ 0 0 61 1,-0.0 -8,-0.1 2,-0.0 -2,-0.1 0.555 94.5 76.1 76.5 11.9 -10.3 -13.5 -6.1 68 68 A T + 0 0 26 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.402 62.6 120.0-133.2 -6.3 -9.9 -12.0 -2.7 69 69 A E - 0 0 26 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.353 38.0-168.4 -70.3 141.7 -9.6 -8.2 -3.3 70 70 A Q E -M 57 0C 47 -13,-2.1 -13,-2.3 -2,-0.1 2,-0.5 -0.995 11.8-152.6-123.8 137.3 -12.0 -5.6 -1.8 71 71 A Y E +M 56 0C 118 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.921 18.3 173.9-114.3 130.6 -11.8 -2.1 -3.1 72 72 A V E -M 55 0C 8 -17,-2.5 -17,-3.0 -2,-0.5 -2,-0.0 -0.997 27.3-121.4-145.1 137.5 -12.8 0.9 -1.0 73 73 A G E -M 54 0C 31 -2,-0.3 27,-2.6 -19,-0.2 2,-0.6 -0.315 27.7-117.0 -68.1 152.5 -12.7 4.7 -1.4 74 74 A V E -N 99 0C 32 -21,-1.5 25,-0.2 25,-0.2 -21,-0.2 -0.854 31.3-180.0 -89.2 119.2 -10.8 6.9 1.1 75 75 A Q E + 0 0 110 23,-2.8 2,-0.3 -2,-0.6 24,-0.2 0.764 64.3 12.2 -93.1 -30.7 -13.4 9.1 2.8 76 76 A K E -N 98 0C 89 22,-1.4 22,-2.5 2,-0.0 2,-0.5 -0.988 59.4-153.1-154.3 139.9 -11.2 11.2 5.1 77 77 A I E -N 97 0C 68 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.981 8.8-173.8-120.4 120.4 -7.4 11.8 5.5 78 78 A V E -N 96 0C 29 18,-3.0 18,-2.6 -2,-0.5 2,-0.3 -0.939 8.9-170.2-119.0 102.5 -6.0 12.7 8.9 79 79 A V E -N 95 0C 46 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.666 39.7 -91.2 -90.8 145.5 -2.3 13.5 8.7 80 80 A H > - 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