==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-04 1UVO . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.S.WEISS,S.PANJIKAR,C.MUELLER-DIECKMANN,P.A.TUCKER . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 65.0 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 . 30 12.5 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 . 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 1 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 121.4 11.1 -4.4 -1.5 2 2 A V B 3 +A 182 0A 5 180,-2.4 180,-2.0 1,-0.2 134,-0.2 -0.781 360.0 9.9 -91.8 136.5 14.6 -5.2 -2.7 3 3 A G T 3 S+ 0 0 40 132,-0.6 146,-0.3 -2,-0.3 -1,-0.2 0.761 98.1 139.3 66.6 32.2 15.9 -8.7 -2.0 4 4 A G < - 0 0 21 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.252 46.2-134.6 -98.0-178.4 12.5 -9.9 -0.9 5 5 A T E -B 147 0B 87 142,-2.2 142,-2.4 -2,-0.1 2,-0.3 -0.922 39.5 -85.2-130.4 156.9 10.7 -13.2 -1.5 6 6 A E E -B 146 0B 108 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.490 47.2-128.3 -68.3 130.2 7.1 -13.5 -2.5 7 7 A A - 0 0 1 138,-2.6 2,-0.1 -2,-0.3 138,-0.1 -0.489 23.7-105.7 -73.3 147.0 4.9 -13.5 0.5 8 8 A Q > - 0 0 142 -2,-0.1 3,-1.7 1,-0.1 4,-0.5 -0.468 36.9-111.7 -68.6 150.5 2.4 -16.3 1.0 9 9 A R T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.697 112.8 36.7 -55.8 -31.3 -1.1 -14.9 0.2 10 10 A N T 3 S+ 0 0 87 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.253 90.6 93.9-112.8 19.5 -2.3 -15.1 3.8 11 11 A S S < S+ 0 0 46 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.880 95.4 25.0 -76.1 -39.7 0.8 -14.2 5.7 12 12 A W > + 0 0 26 -4,-0.5 3,-1.7 1,-0.1 -1,-0.2 -0.598 66.3 166.2-128.6 69.8 0.2 -10.5 6.1 13 13 A P T 3 S+ 0 0 29 0, 0.0 97,-1.6 0, 0.0 45,-0.4 0.579 72.9 60.8 -68.1 -12.0 -3.5 -9.8 6.0 14 14 A S T 3 S+ 0 0 8 95,-0.2 20,-2.8 97,-0.1 98,-0.2 0.539 78.8 108.6 -89.9 -8.0 -3.4 -6.3 7.3 15 15 A Q E < -I 33 0C 5 -3,-1.7 43,-0.4 18,-0.2 44,-0.4 -0.471 49.8-176.2 -67.3 130.7 -1.2 -5.2 4.4 16 16 A I E -I 32 0C 0 16,-2.2 16,-1.0 -2,-0.2 2,-0.5 -0.894 25.2-126.8-123.8 165.1 -3.1 -2.9 2.0 17 17 A S E -IJ 31 56C 0 39,-2.3 39,-2.4 -2,-0.3 2,-0.6 -0.952 18.0-153.8-110.0 122.2 -2.3 -1.3 -1.3 18 18 A L E +IJ 30 55C 0 12,-3.4 11,-2.9 -2,-0.5 12,-1.9 -0.884 24.4 179.9 -98.1 120.2 -2.9 2.5 -1.4 19 19 A Q E -IJ 28 54C 8 35,-2.9 35,-2.6 -2,-0.6 2,-0.3 -0.868 19.9-146.7-124.2 156.2 -3.6 3.5 -5.0 20 20 A Y E -IJ 27 53C 57 7,-2.3 7,-2.8 -2,-0.3 2,-0.3 -0.915 29.4-104.2-122.0 153.4 -4.4 6.7 -6.9 21 21 A R E +I 26 0C 116 31,-1.9 2,-0.4 -2,-0.3 31,-0.3 -0.556 37.3 176.4 -77.0 132.4 -6.5 7.2 -9.9 22 22 A S E > -I 25 0C 43 3,-3.0 3,-2.1 -2,-0.3 2,-0.2 -0.933 61.2 -48.2-142.0 106.7 -4.6 7.7 -13.1 23 23 A G T 3 S- 0 0 74 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.430 121.1 -24.3 67.5-126.9 -6.6 8.0 -16.3 24 24 A S T 3 S+ 0 0 109 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.189 132.4 60.9-102.3 17.6 -9.1 5.2 -16.4 25 25 A S E < S-I 22 0C 62 -3,-2.1 -3,-3.0 -5,-0.0 2,-0.4 -0.660 77.0-116.0-132.6-175.9 -7.0 3.1 -14.1 26 26 A W E -I 21 0C 76 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.965 20.0-155.2-126.1 143.5 -5.5 2.9 -10.7 27 27 A A E -I 20 0C 25 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.2 -0.983 19.8-121.9-121.4 135.9 -1.8 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 -0.500 38.7 160.5 -69.9 136.8 -0.3 1.5 -6.6 29 29 A T E - 0 0 23 -11,-2.9 2,-0.3 1,-0.4 157,-0.2 0.618 57.4 -0.2-126.2 -27.9 1.7 4.2 -4.8 30 30 A a E -I 18 0C 3 -12,-1.9 -12,-3.4 157,-0.1 -1,-0.4 -0.972 58.6-119.7-155.4 168.6 2.1 3.0 -1.3 31 31 A G E +I 17 0C 0 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.455 29.7 176.0-101.1-174.4 1.4 0.4 1.3 32 32 A G E -I 16 0C 0 -16,-1.0 -16,-2.2 -2,-0.2 2,-0.4 -0.947 28.0-110.5-173.8 173.4 -0.6 0.8 4.5 33 33 A T E -IK 15 41C 0 8,-2.8 8,-3.3 -2,-0.3 2,-0.6 -0.987 22.5-130.4-123.7 126.8 -1.8 -1.3 7.4 34 34 A L E + K 0 40C 1 -20,-2.8 78,-3.2 -2,-0.4 6,-0.2 -0.673 36.1 164.2 -71.5 119.2 -5.5 -2.0 8.0 35 35 A I E + 0 0 2 4,-2.6 2,-0.3 -2,-0.6 5,-0.2 0.602 65.7 16.4-113.6 -21.1 -6.0 -1.1 11.7 36 36 A R E > S- K 0 39C 89 3,-1.9 3,-1.6 74,-0.1 -1,-0.3 -0.923 89.3-101.6-136.5 163.6 -9.8 -0.9 11.9 37 37 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.822 128.0 27.4 -60.1 -23.1 -12.3 -2.2 9.4 38 38 A N T 3 S+ 0 0 48 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.094 113.1 78.2-121.0 22.6 -12.6 1.3 8.2 39 39 A W E < -KL 36 98C 4 -3,-1.6 -4,-2.6 59,-0.2 -3,-1.9 -0.987 51.1-170.1-137.4 136.5 -9.2 2.7 9.1 40 40 A V E -KL 34 97C 0 57,-2.3 57,-3.0 -2,-0.4 2,-0.5 -0.954 13.3-146.7-121.3 137.2 -5.8 2.4 7.4 41 41 A M E +KL 33 96C 0 -8,-3.3 -8,-2.8 -2,-0.4 2,-0.2 -0.901 36.1 145.1-100.9 128.9 -2.5 3.5 8.8 42 42 A T E - L 0 95C 0 53,-2.7 53,-2.3 -2,-0.5 2,-0.4 -0.727 51.1 -69.6-144.8-171.3 -0.0 4.7 6.2 43 43 A A > - 0 0 0 -12,-0.4 3,-1.1 51,-0.3 4,-0.5 -0.732 32.1-133.7 -90.3 143.6 2.7 7.3 5.8 44 44 A A G > S+ 0 0 0 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.890 105.2 61.2 -60.3 -36.1 1.9 11.0 5.6 45 45 A H G > S+ 0 0 51 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.742 93.3 65.5 -67.6 -17.8 4.1 11.4 2.6 46 46 A a G < S+ 0 0 3 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.713 106.7 41.4 -71.7 -24.6 2.0 9.0 0.7 47 47 A V G < S+ 0 0 14 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.107 80.3 104.8-114.5 28.3 -0.9 11.4 0.8 48 48 A D < + 0 0 56 -3,-1.1 -1,-0.1 2,-0.1 -2,-0.1 0.906 66.6 79.6 -69.2 -42.7 0.9 14.6 0.2 49 49 A R S S- 0 0 119 -4,-0.4 2,-2.2 -3,-0.1 0, 0.0 -0.368 89.4-121.2 -70.3 147.5 -0.4 14.7 -3.4 50 50 A E + 0 0 193 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.248 65.2 139.9 -81.5 55.3 -3.9 15.9 -4.0 51 51 A L - 0 0 61 -2,-2.2 2,-0.7 -4,-0.0 -31,-0.0 -0.458 62.8-103.4-100.1 169.2 -5.0 12.7 -5.6 52 52 A T - 0 0 92 -31,-0.3 -31,-1.9 -2,-0.1 2,-0.3 -0.855 48.0-164.1 -88.8 118.5 -8.0 10.4 -5.6 53 53 A F E -J 20 0C 13 -2,-0.7 21,-1.5 -33,-0.2 2,-0.3 -0.793 16.8-179.0-110.2 151.1 -7.0 7.5 -3.4 54 54 A R E -JM 19 73C 46 -35,-2.6 -35,-2.9 -2,-0.3 2,-0.4 -0.949 18.8-136.9-136.2 158.5 -8.4 4.0 -3.0 55 55 A V E -JM 18 72C 0 17,-3.1 17,-2.5 -2,-0.3 2,-0.5 -0.928 9.7-157.8-113.4 141.9 -7.4 1.2 -0.7 56 56 A V E -JM 17 71C 0 -39,-2.4 -39,-2.3 -2,-0.4 3,-0.3 -0.979 11.3-174.7-119.6 122.6 -7.2 -2.4 -1.8 57 57 A V E + M 0 70C 1 13,-2.5 13,-2.2 -2,-0.5 52,-0.1 -0.762 69.3 32.0-108.0 160.0 -7.4 -5.0 0.9 58 58 A G S S+ 0 0 5 50,-0.6 2,-0.4 -43,-0.4 10,-0.3 0.832 86.4 151.1 64.6 29.5 -7.0 -8.7 0.3 59 59 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.778 15.8 152.5 -96.1 140.5 -4.6 -7.8 -2.5 60 60 A H S S+ 0 0 7 -2,-0.4 85,-1.9 1,-0.4 2,-0.6 0.578 70.6 32.1-127.2 -54.3 -1.8 -10.1 -3.5 61 61 A N B > -O 144 0D 11 3,-0.3 3,-1.0 83,-0.2 -1,-0.4 -0.943 62.1-159.7-112.4 117.3 -0.9 -9.6 -7.1 62 62 A L T 3 S+ 0 0 38 81,-3.0 -1,-0.1 -2,-0.6 82,-0.1 0.754 93.3 44.7 -65.4 -25.8 -1.4 -6.0 -8.3 63 63 A N T 3 S+ 0 0 104 80,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.311 111.0 53.8-101.4 6.0 -1.6 -7.2 -11.9 64 64 A Q S < S- 0 0 125 -3,-1.0 2,-0.5 79,-0.2 -3,-0.3 -0.987 86.4-103.1-141.6 148.5 -3.9 -10.2 -11.6 65 65 A N - 0 0 137 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.570 32.7-178.9 -68.3 120.0 -7.3 -11.0 -10.2 66 66 A D - 0 0 27 -2,-0.5 -1,-0.2 -5,-0.2 -4,-0.0 0.536 36.3-128.5 -93.4 -17.1 -6.7 -12.8 -6.9 67 67 A G S S+ 0 0 60 1,-0.1 -2,-0.1 2,-0.0 -8,-0.1 0.587 94.8 74.7 77.7 12.6 -10.4 -13.3 -6.1 68 68 A T + 0 0 23 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.445 62.6 121.2-132.0 -6.3 -9.9 -11.8 -2.6 69 69 A E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.323 38.0-168.0 -69.5 144.7 -9.6 -8.1 -3.2 70 70 A Q E -M 57 0C 46 -13,-2.2 -13,-2.5 -2,-0.1 2,-0.5 -0.998 11.1-154.2-127.6 130.1 -11.9 -5.5 -1.7 71 71 A Y E +M 56 0C 114 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.926 18.2 173.0-111.3 125.5 -11.7 -2.0 -3.2 72 72 A V E -M 55 0C 7 -17,-2.5 -17,-3.1 -2,-0.5 -2,-0.0 -0.996 27.7-122.4-139.5 140.3 -12.7 0.9 -1.1 73 73 A G E -M 54 0C 31 -2,-0.4 27,-2.9 -19,-0.2 2,-0.6 -0.307 27.8-116.3 -73.8 159.0 -12.5 4.6 -1.4 74 74 A V E -N 99 0C 30 -21,-1.5 25,-0.2 25,-0.2 -21,-0.2 -0.885 30.8-179.6 -95.2 119.1 -10.7 6.8 1.1 75 75 A Q E + 0 0 108 23,-2.6 2,-0.3 -2,-0.6 24,-0.2 0.812 65.1 14.0 -90.8 -38.6 -13.3 9.1 2.7 76 76 A K E -N 98 0C 83 22,-1.6 22,-2.8 2,-0.0 2,-0.5 -1.000 59.7-155.0-143.4 146.3 -11.1 11.1 5.0 77 77 A I E -N 97 0C 65 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.976 7.7-173.8-122.3 120.5 -7.4 11.6 5.4 78 78 A V E -N 96 0C 28 18,-3.3 18,-2.7 -2,-0.5 2,-0.3 -0.921 8.0-170.5-116.8 105.5 -5.9 12.6 8.7 79 79 A V E -N 95 0C 45 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.702 40.2 -91.1 -89.6 149.0 -2.2 13.4 8.5 80 80 A H > - 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