==== 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 16-FEB-02 1L1G . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.PANJIKAR,P.A.TUCKER . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10557.0 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 . 20 8.3 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 0 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.0 11.0 -4.6 -1.5 2 2 A V B 3 +A 182 0A 10 180,-2.5 180,-1.8 1,-0.2 134,-0.2 -0.767 360.0 9.9 -91.0 135.8 14.5 -5.4 -2.7 3 3 A G T 3 S+ 0 0 40 132,-0.7 146,-0.2 -2,-0.4 -1,-0.2 0.832 98.4 137.2 69.2 30.1 15.8 -8.9 -2.0 4 4 A G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.301 47.7-132.3 -97.5-175.4 12.5 -10.1 -0.9 5 5 A T E -B 147 0B 91 142,-2.5 142,-2.5 -2,-0.1 2,-0.3 -0.910 39.2 -85.7-127.8 161.3 10.6 -13.3 -1.5 6 6 A E E -B 146 0B 112 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.495 45.8-126.8 -72.8 127.3 7.0 -13.6 -2.5 7 7 A A - 0 0 2 138,-2.8 2,-0.1 -2,-0.3 138,-0.1 -0.419 24.0-106.5 -65.4 145.4 4.6 -13.6 0.4 8 8 A Q > - 0 0 121 1,-0.1 3,-1.8 -2,-0.1 4,-0.5 -0.473 37.6-114.4 -59.9 143.1 2.1 -16.4 0.9 9 9 A R T 3 S+ 0 0 107 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.762 111.5 40.2 -67.0 -18.2 -1.3 -14.9 -0.0 10 10 A N T 3 S+ 0 0 70 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.264 90.8 91.0-108.3 19.6 -2.7 -15.3 3.5 11 11 A S S < S+ 0 0 45 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.877 94.0 27.8 -81.0 -35.0 0.4 -14.3 5.6 12 12 A W > + 0 0 28 -4,-0.5 3,-2.2 -3,-0.1 -1,-0.2 -0.578 65.5 166.0-128.2 69.5 -0.1 -10.6 6.0 13 13 A P T 3 S+ 0 0 32 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.610 71.8 60.3 -72.3 -5.8 -3.8 -9.9 5.9 14 14 A S T 3 S+ 0 0 9 95,-0.2 20,-2.8 97,-0.1 98,-0.2 0.532 79.6 108.8 -91.5 -5.2 -3.6 -6.3 7.3 15 15 A Q E < -I 33 0C 5 -3,-2.2 43,-0.5 18,-0.2 44,-0.4 -0.516 49.9-174.4 -69.0 137.0 -1.4 -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 -0.890 24.4-128.1-123.5 162.9 -3.2 -2.9 1.9 17 17 A S E -IJ 31 56C 0 39,-2.1 39,-2.5 -2,-0.3 2,-0.5 -0.959 18.8-152.0-107.2 122.5 -2.3 -1.3 -1.4 18 18 A L E +IJ 30 55C 0 12,-3.0 11,-3.0 -2,-0.5 12,-1.9 -0.892 24.3 179.7 -96.2 123.6 -2.9 2.5 -1.5 19 19 A Q E -IJ 28 54C 8 35,-2.8 35,-2.6 -2,-0.5 2,-0.3 -0.881 18.3-147.6-128.2 152.5 -3.6 3.5 -5.0 20 20 A Y E -IJ 27 53C 56 7,-2.3 7,-2.6 -2,-0.3 2,-0.3 -0.890 27.8-104.7-122.5 155.9 -4.4 6.7 -6.8 21 21 A R E +I 26 0C 124 31,-2.4 2,-0.4 -2,-0.3 31,-0.3 -0.578 35.6 176.5 -78.1 134.4 -6.6 7.4 -9.8 22 22 A S E > -I 25 0C 62 3,-3.7 3,-1.7 -2,-0.3 2,-0.2 -0.895 60.6 -51.9-141.6 108.1 -4.8 8.0 -13.0 23 23 A G T 3 S- 0 0 63 -2,-0.4 -1,-0.0 1,-0.2 -2,-0.0 -0.472 121.2 -21.0 63.0-126.8 -6.9 8.5 -16.1 24 24 A S T 3 S+ 0 0 131 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.050 131.3 61.7-102.2 22.7 -9.3 5.6 -16.3 25 25 A S E < S-I 22 0C 63 -3,-1.7 -3,-3.7 -5,-0.0 2,-0.4 -0.839 74.6-118.1-141.0 179.4 -7.1 3.4 -14.1 26 26 A W E -I 21 0C 91 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.944 20.4-158.5-124.5 140.6 -5.6 3.0 -10.7 27 27 A A E -I 20 0C 31 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.2 -0.985 20.4-122.5-126.7 131.3 -1.9 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 -0.462 39.6 158.4 -62.3 137.1 -0.4 1.5 -6.7 29 29 A T E + 0 0 24 -11,-3.0 2,-0.3 1,-0.4 157,-0.2 0.641 56.9 1.3-127.7 -33.0 1.7 4.1 -4.9 30 30 A a E -I 18 0C 5 -12,-1.9 -12,-3.0 157,-0.1 -1,-0.4 -0.933 59.3-118.9-150.5 165.9 2.1 3.0 -1.3 31 31 A G E +I 17 0C 1 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.478 28.4 175.5 -98.8-177.3 1.3 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 -0.931 27.9-111.8-169.7 176.4 -0.6 0.7 4.5 33 33 A T E -IK 15 41C 0 8,-2.7 8,-3.1 -2,-0.3 2,-0.5 -0.993 22.1-132.2-125.6 122.4 -1.9 -1.3 7.4 34 34 A L E + K 0 40C 0 -20,-2.8 78,-3.5 -2,-0.4 6,-0.3 -0.666 34.5 164.8 -67.8 120.0 -5.6 -1.9 8.1 35 35 A I E + 0 0 2 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.566 66.2 16.8-114.7 -15.1 -6.1 -1.1 11.7 36 36 A R E > S- K 0 39C 93 3,-1.8 3,-1.6 74,-0.1 -1,-0.3 -0.942 89.4-100.0-141.2 163.0 -9.9 -0.8 11.9 37 37 A Q T 3 S+ 0 0 93 -2,-0.3 66,-2.8 1,-0.3 64,-0.1 0.803 127.6 25.5 -58.2 -22.6 -12.5 -2.0 9.5 38 38 A N T 3 S+ 0 0 48 64,-0.2 61,-2.7 62,-0.1 2,-0.4 0.072 113.0 79.2-126.6 23.8 -12.7 1.6 8.2 39 39 A W E < -KL 36 98C 5 -3,-1.6 -4,-2.4 59,-0.2 -3,-1.8 -0.991 50.4-171.4-137.1 134.9 -9.2 2.9 9.1 40 40 A V E -KL 34 97C 0 57,-2.2 57,-2.9 -2,-0.4 2,-0.5 -0.957 14.6-145.5-118.7 138.5 -5.8 2.5 7.4 41 41 A M E +KL 33 96C 0 -8,-3.1 -8,-2.7 -2,-0.4 2,-0.2 -0.891 36.3 147.1-101.5 127.7 -2.5 3.6 8.8 42 42 A T E - L 0 95C 0 53,-2.8 53,-2.2 -2,-0.5 2,-0.4 -0.734 50.5 -71.7-142.5-171.0 0.0 4.8 6.2 43 43 A A > - 0 0 0 -12,-0.4 3,-1.1 51,-0.3 4,-0.4 -0.773 32.8-133.8 -90.0 140.3 2.9 7.3 5.8 44 44 A A G > S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.870 105.1 60.8 -59.2 -38.7 2.0 11.0 5.6 45 45 A H G > S+ 0 0 55 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.763 93.9 66.7 -63.6 -19.8 4.3 11.5 2.6 46 46 A a G < S+ 0 0 3 -3,-1.1 -1,-0.3 1,-0.3 3,-0.2 0.770 106.5 39.6 -68.7 -24.8 2.2 9.0 0.7 47 47 A V G < S+ 0 0 14 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.047 80.6 109.2-114.6 24.8 -0.8 11.4 0.8 48 48 A D < + 0 0 62 -3,-1.2 2,-0.1 2,-0.1 -1,-0.1 0.903 66.5 76.9 -64.8 -38.2 1.1 14.7 0.2 49 49 A R S S- 0 0 123 -4,-0.3 2,-2.0 -3,-0.2 0, 0.0 -0.469 90.6-119.8 -79.4 149.7 -0.3 14.9 -3.3 50 50 A E + 0 0 196 -2,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.365 65.9 138.8 -82.5 57.0 -3.9 16.1 -3.9 51 51 A L - 0 0 60 -2,-2.0 2,-0.6 -4,-0.1 -29,-0.1 -0.471 62.1-104.2 -99.5 171.5 -4.9 12.8 -5.6 52 52 A T - 0 0 70 -31,-0.3 -31,-2.4 -2,-0.1 2,-0.3 -0.912 46.7-164.7 -94.7 118.2 -7.9 10.6 -5.5 53 53 A F E -J 20 0C 10 -2,-0.6 21,-1.8 -33,-0.2 2,-0.3 -0.806 16.6-177.8-109.7 149.3 -7.0 7.5 -3.4 54 54 A R E -JM 19 73C 44 -35,-2.6 -35,-2.8 -2,-0.3 2,-0.4 -0.945 18.3-137.0-131.6 158.2 -8.4 4.1 -2.8 55 55 A V E -JM 18 72C 0 17,-2.8 17,-2.8 -2,-0.3 2,-0.5 -0.937 9.4-156.8-110.1 140.1 -7.4 1.2 -0.6 56 56 A V E -JM 17 71C 0 -39,-2.5 -39,-2.1 -2,-0.4 3,-0.3 -0.980 10.8-172.7-116.8 121.9 -7.3 -2.4 -1.7 57 57 A V E S+ M 0 70C 1 13,-2.5 13,-2.3 -2,-0.5 52,-0.1 -0.759 70.0 31.3-104.2 157.4 -7.6 -5.0 1.0 58 58 A G S S+ 0 0 5 50,-0.7 2,-0.3 -43,-0.5 10,-0.3 0.773 86.8 151.2 63.7 26.1 -7.1 -8.7 0.3 59 59 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.702 16.0 151.7 -88.9 139.9 -4.7 -7.8 -2.5 60 60 A H S S+ 0 0 6 1,-0.4 85,-1.8 -2,-0.3 2,-0.5 0.561 70.8 33.4-128.8 -52.5 -1.9 -10.1 -3.5 61 61 A N B > -O 144 0D 15 3,-0.3 3,-1.2 83,-0.2 -1,-0.4 -0.954 66.8-154.4-112.7 119.8 -1.2 -9.6 -7.2 62 62 A L T 3 S+ 0 0 28 81,-2.9 -1,-0.1 -2,-0.5 82,-0.1 0.763 92.8 38.7 -63.6 -27.6 -1.6 -6.0 -8.3 63 63 A N T 3 S+ 0 0 105 80,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.063 110.3 61.2-113.5 11.8 -2.3 -6.9 -11.9 64 64 A Q S < S- 0 0 125 -3,-1.2 2,-0.5 79,-0.2 -3,-0.3 -0.994 86.2-101.9-144.7 147.5 -4.4 -10.0 -11.6 65 65 A N - 0 0 136 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.545 32.0-179.8 -73.0 120.7 -7.7 -11.0 -10.1 66 66 A D - 0 0 27 -2,-0.5 -1,-0.2 -5,-0.2 -4,-0.0 0.643 37.2-128.4 -89.7 -20.9 -7.0 -12.8 -6.8 67 67 A G S S+ 0 0 61 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.562 95.2 73.4 83.5 8.7 -10.7 -13.4 -6.0 68 68 A T + 0 0 25 -10,-0.3 2,-0.1 40,-0.0 -9,-0.1 0.389 64.4 120.9-135.4 -0.7 -10.2 -11.8 -2.6 69 69 A E - 0 0 27 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.433 37.8-166.4 -77.4 145.9 -9.9 -8.0 -3.1 70 70 A Q E -M 57 0C 47 -13,-2.3 -13,-2.5 -2,-0.1 2,-0.5 -0.999 10.6-155.8-126.3 129.6 -12.1 -5.3 -1.7 71 71 A Y E +M 56 0C 112 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.921 18.9 172.8-107.2 122.5 -11.7 -1.9 -3.2 72 72 A V E -M 55 0C 6 -17,-2.8 -17,-2.8 -2,-0.5 -2,-0.0 -0.993 27.4-121.6-141.4 137.9 -12.7 1.1 -1.1 73 73 A G E -M 54 0C 30 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.314 25.4-117.5 -72.0 160.0 -12.5 4.8 -1.4 74 74 A V E +N 99 0C 30 -21,-1.8 25,-0.2 25,-0.2 -21,-0.2 -0.856 31.7 176.8 -94.2 119.6 -10.7 7.0 1.0 75 75 A Q E + 0 0 105 23,-2.8 2,-0.4 -2,-0.6 24,-0.2 0.769 65.3 18.1 -97.5 -28.8 -13.2 9.4 2.6 76 76 A K E -N 98 0C 81 22,-1.6 22,-2.9 2,-0.0 2,-0.5 -0.994 59.5-158.4-144.3 138.3 -11.0 11.3 5.0 77 77 A I E -N 97 0C 67 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.981 6.6-172.3-119.6 122.1 -7.2 11.8 5.3 78 78 A V E -N 96 0C 27 18,-3.4 18,-2.8 -2,-0.5 2,-0.3 -0.920 8.5-169.4-116.0 103.5 -5.7 12.7 8.7 79 79 A V E -N 95 0C 46 -2,-0.6 16,-0.2 16,-0.3 14,-0.1 -0.650 40.1 -90.6 -86.9 146.7 -2.0 13.5 8.5 80 80 A H > - 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