==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-FEB-07 2OQU . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.U.KIM,Q.HAO,S.M.GRUNER . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 63.3 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 . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.1 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,-0.4 0.000 360.0 360.0 360.0 122.5 11.2 4.5 1.6 2 2 A V B 3 +A 182 0A 8 180,-2.3 180,-1.9 1,-0.2 134,-0.1 -0.751 360.0 8.9 -90.3 137.2 14.8 5.3 2.8 3 3 A G T 3 S+ 0 0 41 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.782 97.8 139.4 66.2 27.0 16.1 8.8 2.1 4 4 A G < - 0 0 23 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.294 46.5-133.1 -86.4 178.4 12.7 10.1 1.0 5 5 A T E -B 147 0B 88 142,-2.4 142,-2.6 -2,-0.1 2,-0.3 -0.915 39.7 -85.7-126.1 156.8 10.8 13.3 1.6 6 6 A E E -B 146 0B 111 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.481 45.6-128.0 -65.7 126.1 7.1 13.7 2.6 7 7 A A - 0 0 2 138,-2.7 2,-0.1 -2,-0.3 138,-0.1 -0.457 25.0-108.0 -66.2 143.4 4.8 13.6 -0.5 8 8 A Q > - 0 0 124 -2,-0.1 3,-1.9 1,-0.1 4,-0.5 -0.504 36.3-106.7 -67.4 150.4 2.3 16.4 -0.8 9 9 A R T 3 S+ 0 0 94 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.745 115.1 36.3 -49.2 -37.7 -1.2 15.2 -0.1 10 10 A N T 3 S+ 0 0 89 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.180 89.1 94.0-108.1 20.0 -2.3 15.4 -3.8 11 11 A S S < S+ 0 0 55 -3,-1.9 -1,-0.1 1,-0.2 -2,-0.1 0.899 95.8 25.3 -77.4 -39.0 0.9 14.3 -5.7 12 12 A W > + 0 0 23 -4,-0.5 3,-1.8 -3,-0.1 -1,-0.2 -0.616 65.1 164.2-130.0 65.3 0.2 10.6 -6.1 13 13 A P T 3 S+ 0 0 32 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.580 74.2 61.1 -69.1 -9.9 -3.6 10.0 -5.9 14 14 A S T 3 S+ 0 0 9 95,-0.2 20,-2.6 97,-0.1 98,-0.2 0.551 79.4 109.0 -88.6 -9.3 -3.4 6.5 -7.4 15 15 A Q E < -I 33 0C 5 -3,-1.8 43,-0.5 18,-0.2 44,-0.4 -0.497 49.8-174.1 -66.1 132.5 -1.2 5.3 -4.4 16 16 A I E -I 32 0C 0 16,-2.1 16,-1.0 -2,-0.2 2,-0.5 -0.897 23.8-129.3-124.6 158.0 -3.1 2.9 -2.0 17 17 A S E -IJ 31 56C 0 39,-2.2 39,-2.6 -2,-0.3 2,-0.6 -0.941 17.9-151.3-105.7 123.1 -2.3 1.3 1.3 18 18 A L E -IJ 30 55C 0 12,-3.3 11,-3.1 -2,-0.5 12,-2.0 -0.887 24.5-177.1 -96.0 123.6 -2.8 -2.5 1.4 19 19 A Q E -IJ 28 54C 8 35,-3.0 35,-2.6 -2,-0.6 2,-0.3 -0.861 15.7-153.6-127.4 150.1 -3.7 -3.5 5.0 20 20 A Y E -IJ 27 53C 71 7,-2.4 7,-2.5 -2,-0.3 2,-0.4 -0.876 30.9 -97.9-123.8 159.8 -4.4 -6.7 6.8 21 21 A R E +I 26 0C 115 31,-1.5 2,-0.4 -2,-0.3 5,-0.2 -0.634 38.6 173.8 -77.6 125.2 -6.4 -7.5 9.9 22 22 A S E > S-I 25 0C 41 3,-2.8 3,-1.6 -2,-0.4 2,-0.3 -0.950 70.1 -39.0-131.6 109.6 -4.2 -7.8 13.1 23 23 A G T 3 S- 0 0 75 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.603 120.5 -36.6 70.0-131.6 -6.4 -8.3 16.2 24 24 A S T 3 S+ 0 0 99 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.008 129.9 81.0-106.0 22.8 -9.5 -6.0 15.7 25 25 A S E < S-I 22 0C 77 -3,-1.6 -3,-2.8 -5,-0.0 2,-0.4 -0.733 75.9-125.9-116.3 171.6 -7.2 -3.4 14.0 26 26 A W E -I 21 0C 82 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.946 21.0-162.8-117.2 142.1 -5.8 -3.1 10.5 27 27 A A E -I 20 0C 32 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.2 -0.981 24.6-112.3-128.1 136.9 -2.0 -2.7 9.8 28 28 A H E +I 19 0C 17 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.453 41.7 160.0 -61.5 132.0 -0.4 -1.5 6.7 29 29 A T E + 0 0 46 -11,-3.1 2,-0.3 1,-0.4 159,-0.2 0.658 56.9 1.5-116.6 -38.8 1.6 -4.2 4.9 30 30 A a E -I 18 0C 4 -12,-2.0 -12,-3.3 157,-0.1 -1,-0.4 -0.920 60.9-114.0-146.7 163.7 2.1 -3.1 1.2 31 31 A G E +I 17 0C 0 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.449 31.4 176.2 -91.2 174.9 1.6 -0.5 -1.4 32 32 A G E -I 16 0C 0 -16,-1.0 -16,-2.1 -2,-0.2 2,-0.4 -0.950 26.2-119.6-165.5 170.9 -0.6 -0.8 -4.5 33 33 A T E -IK 15 41C 0 8,-2.5 8,-3.1 -2,-0.3 2,-0.5 -0.995 22.1-129.9-125.8 125.6 -1.8 1.3 -7.4 34 34 A L E + K 0 40C 0 -20,-2.6 78,-3.5 -2,-0.4 6,-0.2 -0.613 34.9 165.1 -70.5 121.4 -5.5 2.0 -8.1 35 35 A I E + 0 0 3 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.609 66.2 17.0-118.0 -21.1 -6.0 1.1 -11.8 36 36 A R E > S- K 0 39C 82 3,-1.8 3,-1.5 74,-0.1 -1,-0.4 -0.937 89.2-100.7-134.8 165.8 -9.9 0.9 -11.9 37 37 A Q T 3 S+ 0 0 84 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.785 128.1 26.5 -57.7 -21.1 -12.4 2.2 -9.5 38 38 A N T 3 S+ 0 0 48 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.085 112.6 76.1-128.2 23.6 -12.6 -1.4 -8.2 39 39 A W E < -KL 36 98C 5 -3,-1.5 -4,-2.5 59,-0.2 -3,-1.8 -0.996 50.9-169.8-136.9 140.0 -9.2 -2.8 -9.1 40 40 A V E -KL 34 97C 0 57,-2.1 57,-2.8 -2,-0.4 2,-0.5 -0.961 14.2-144.3-123.8 138.4 -5.8 -2.4 -7.5 41 41 A M E +KL 33 96C 0 -8,-3.1 -8,-2.5 -2,-0.4 2,-0.2 -0.905 36.3 147.9-101.0 127.3 -2.4 -3.6 -8.9 42 42 A T E - L 0 95C 0 53,-2.9 53,-2.3 -2,-0.5 2,-0.3 -0.741 49.8 -70.3-141.3-170.9 0.0 -4.8 -6.2 43 43 A A > - 0 0 0 -12,-0.4 3,-1.1 51,-0.3 4,-0.5 -0.717 32.1-133.6 -92.0 140.3 2.9 -7.4 -5.8 44 44 A A G > S+ 0 0 0 -2,-0.3 3,-2.0 1,-0.2 -1,-0.1 0.910 105.7 60.9 -54.4 -42.3 2.1 -11.1 -5.7 45 45 A H G > S+ 0 0 55 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.707 94.9 63.6 -62.3 -20.6 4.3 -11.6 -2.7 46 46 A a G < S+ 0 0 10 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.713 107.5 41.8 -73.3 -21.1 2.1 -9.1 -0.7 47 47 A V G < S+ 0 0 11 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.074 81.7 99.0-122.2 25.7 -0.8 -11.5 -1.0 48 48 A D < + 0 0 51 -3,-0.8 -1,-0.1 2,-0.1 -2,-0.1 0.880 66.0 84.5 -71.5 -45.0 0.8 -14.9 -0.3 49 49 A R S S- 0 0 165 -4,-0.3 2,-2.9 1,-0.1 0, 0.0 -0.425 92.0-118.7 -66.1 136.2 -0.3 -14.9 3.3 50 50 A E + 0 0 173 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.327 66.3 146.5 -69.7 59.0 -3.9 -16.2 3.8 51 51 A L - 0 0 58 -2,-2.9 2,-0.5 -4,-0.1 -31,-0.0 -0.547 59.3-110.0-105.9 159.8 -4.9 -12.9 5.3 52 52 A T - 0 0 92 -31,-0.2 -31,-1.5 -2,-0.2 2,-0.4 -0.811 46.2-163.1 -80.3 126.0 -8.0 -10.6 5.5 53 53 A F E -J 20 0C 10 -2,-0.5 21,-1.9 21,-0.3 2,-0.3 -0.885 17.7-178.3-117.2 144.4 -7.1 -7.5 3.3 54 54 A R E -JM 19 73C 48 -35,-2.6 -35,-3.0 -2,-0.4 2,-0.4 -0.953 17.5-139.3-129.7 159.6 -8.4 -4.0 2.9 55 55 A V E -JM 18 72C 0 17,-3.1 17,-2.9 -2,-0.3 2,-0.5 -0.949 7.9-157.9-116.1 134.0 -7.4 -1.2 0.6 56 56 A V E -JM 17 71C 0 -39,-2.6 -39,-2.2 -2,-0.4 3,-0.3 -0.973 10.5-172.9-112.4 118.9 -7.3 2.4 1.7 57 57 A V E S+ M 0 70C 2 13,-2.2 13,-2.3 -2,-0.5 52,-0.1 -0.768 71.5 29.5-101.2 155.9 -7.5 5.1 -1.1 58 58 A G S S+ 0 0 6 50,-0.6 2,-0.4 -43,-0.5 10,-0.3 0.824 87.3 152.4 61.7 32.3 -6.9 8.8 -0.4 59 59 A E + 0 0 15 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.763 15.2 151.2 -93.3 136.5 -4.6 7.8 2.4 60 60 A H S S+ 0 0 7 -2,-0.4 85,-1.8 1,-0.3 2,-0.5 0.577 70.4 35.3-125.4 -52.4 -1.8 10.1 3.5 61 61 A N B > -O 144 0D 12 3,-0.3 3,-1.1 83,-0.2 -1,-0.3 -0.940 66.1-154.6-109.5 117.0 -1.1 9.5 7.2 62 62 A L T 3 S+ 0 0 39 81,-2.5 -1,-0.1 -2,-0.5 82,-0.1 0.768 94.8 35.9 -59.8 -28.3 -1.5 5.9 8.4 63 63 A N T 3 S+ 0 0 94 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.196 110.7 63.6-115.1 14.5 -2.3 6.9 12.0 64 64 A Q S < S- 0 0 121 -3,-1.1 2,-0.7 79,-0.2 -3,-0.3 -0.980 85.7-102.6-138.9 149.0 -4.3 10.1 11.6 65 65 A N - 0 0 138 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.606 32.2-179.3 -71.6 111.8 -7.6 11.2 10.1 66 66 A D - 0 0 23 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.671 36.2-130.7 -83.2 -18.7 -6.8 12.8 6.8 67 67 A G S S+ 0 0 65 -3,-0.1 -2,-0.1 1,-0.0 -8,-0.1 0.472 94.5 75.1 78.0 6.0 -10.5 13.5 6.0 68 68 A T + 0 0 25 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.438 64.4 119.3-127.4 -6.5 -10.0 12.0 2.5 69 69 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.323 38.1-167.7 -73.1 143.7 -9.8 8.2 3.1 70 70 A Q E -M 57 0C 41 -13,-2.3 -13,-2.2 -2,-0.1 2,-0.5 -0.998 12.7-152.8-123.0 132.9 -12.1 5.6 1.6 71 71 A Y E +M 56 0C 113 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.907 18.5 176.7-111.3 124.3 -11.7 2.1 3.1 72 72 A V E -M 55 0C 7 -17,-2.9 -17,-3.1 -2,-0.5 -2,-0.0 -0.982 25.6-124.3-137.5 131.3 -12.7 -0.9 0.9 73 73 A G E -M 54 0C 35 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.331 26.4-118.1 -68.2 148.7 -12.5 -4.6 1.4 74 74 A V E +N 99 0C 32 -21,-1.9 -21,-0.3 25,-0.2 25,-0.2 -0.841 31.6 179.0 -87.0 120.5 -10.7 -6.9 -1.0 75 75 A Q E + 0 0 109 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.742 64.6 14.1 -95.6 -33.7 -13.3 -9.2 -2.6 76 76 A K E -N 98 0C 85 22,-1.5 22,-2.6 2,-0.0 2,-0.5 -0.990 59.2-155.1-150.4 138.9 -11.0 -11.2 -5.0 77 77 A I E -N 97 0C 65 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.969 7.9-174.6-117.2 122.9 -7.2 -11.8 -5.4 78 78 A V E -N 96 0C 28 18,-3.2 18,-2.3 -2,-0.5 2,-0.3 -0.897 9.4-169.5-115.6 98.9 -5.8 -12.8 -8.8 79 79 A V E -N 95 0C 49 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.635 41.1 -87.1 -85.2 147.6 -2.1 -13.5 -8.5 80 80 A H > - 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