==== 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 05-JUL-05 2A7C . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.MUELLER-DIECKMANN,S.PANJIKAR,P.A.TUCKER,M.S.WEISS . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 64.2 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 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 . 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,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.0 11.3 -4.5 -1.6 2 2 A V B 3 +A 182 0A 11 180,-2.5 180,-1.8 1,-0.2 134,-0.1 -0.794 360.0 11.4 -90.4 135.1 14.9 -5.2 -2.8 3 3 A G T 3 S+ 0 0 42 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.792 97.6 142.4 69.6 28.3 16.1 -8.8 -2.0 4 4 A G < - 0 0 23 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.295 44.5-135.7 -89.4 176.7 12.7 -10.0 -1.0 5 5 A T E -B 147 0B 87 142,-2.4 142,-2.7 -2,-0.1 2,-0.3 -0.911 39.6 -87.7-124.9 158.2 10.9 -13.3 -1.5 6 6 A E E -B 146 0B 104 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.512 45.9-128.4 -68.6 128.1 7.2 -13.7 -2.6 7 7 A A - 0 0 2 138,-2.5 2,-0.1 -2,-0.3 138,-0.1 -0.458 24.5-106.2 -70.5 144.7 4.9 -13.6 0.5 8 8 A Q > - 0 0 135 -2,-0.1 3,-1.6 1,-0.1 4,-0.5 -0.470 36.8-109.1 -62.9 148.8 2.4 -16.4 1.0 9 9 A R T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.702 114.1 35.7 -54.8 -29.8 -1.1 -15.2 0.2 10 10 A N T 3 S+ 0 0 94 1,-0.1 -1,-0.3 2,-0.0 99,-0.0 0.227 90.2 93.3-116.4 18.3 -2.2 -15.3 3.9 11 11 A S S < S+ 0 0 52 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.891 96.2 25.5 -76.8 -40.8 0.9 -14.3 5.8 12 12 A W > + 0 0 24 -4,-0.5 3,-2.0 1,-0.1 -1,-0.2 -0.577 66.2 164.9-126.8 65.3 0.3 -10.6 6.1 13 13 A P T 3 S+ 0 0 31 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.563 72.0 62.0 -71.0 -5.9 -3.4 -10.0 6.0 14 14 A S T 3 S+ 0 0 8 95,-0.2 20,-2.7 97,-0.1 2,-0.2 0.555 78.5 108.4 -88.6 -9.7 -3.3 -6.4 7.3 15 15 A Q E < -I 33 0C 6 -3,-2.0 43,-0.4 18,-0.2 44,-0.4 -0.514 49.3-175.2 -69.0 133.9 -1.1 -5.2 4.4 16 16 A I E -I 32 0C 0 16,-2.1 16,-0.9 -2,-0.2 2,-0.5 -0.841 24.5-127.2-122.6 160.8 -3.0 -2.9 2.0 17 17 A S E -IJ 31 56C 0 39,-2.0 39,-2.3 -2,-0.3 2,-0.6 -0.956 18.2-152.8-105.0 123.7 -2.2 -1.3 -1.4 18 18 A L E -IJ 30 55C 0 12,-3.2 11,-2.9 -2,-0.5 12,-1.8 -0.887 24.4-179.6 -97.8 121.5 -2.9 2.5 -1.5 19 19 A Q E -IJ 28 54C 8 35,-2.8 35,-2.3 -2,-0.6 2,-0.3 -0.862 18.9-146.4-124.7 154.4 -3.6 3.5 -5.0 20 20 A Y E -IJ 27 53C 55 7,-2.4 7,-2.6 -2,-0.3 2,-0.3 -0.923 30.8-101.7-121.8 154.6 -4.4 6.7 -6.9 21 21 A R E +I 26 0C 139 31,-1.9 2,-0.4 -2,-0.3 31,-0.3 -0.537 39.5 177.9 -75.9 132.7 -6.6 7.3 -9.9 22 22 A S E > -I 25 0C 51 3,-3.1 3,-2.1 -2,-0.3 2,-0.3 -0.916 59.4 -55.5-143.3 97.6 -4.5 7.7 -13.0 23 23 A G T 3 S- 0 0 67 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.471 119.7 -20.0 64.3-123.2 -6.6 8.2 -16.2 24 24 A S T 3 S+ 0 0 126 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.295 133.9 56.5 -97.1 5.6 -9.1 5.3 -16.5 25 25 A S E < S-I 22 0C 64 -3,-2.1 -3,-3.1 -5,-0.0 2,-0.4 -0.611 78.6-113.1-127.4-174.4 -7.0 3.1 -14.2 26 26 A W E -I 21 0C 81 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.969 21.7-154.9-124.9 140.4 -5.5 3.0 -10.7 27 27 A A E -I 20 0C 27 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.2 -0.970 19.8-121.6-119.7 129.3 -1.8 3.0 -9.8 28 28 A H E +I 19 0C 20 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.501 39.1 160.3 -61.0 133.1 -0.2 1.6 -6.7 29 29 A T E - 0 0 24 -11,-2.9 2,-0.3 1,-0.4 157,-0.2 0.648 56.1 -4.1-124.7 -27.9 1.7 4.2 -4.8 30 30 A a E -I 18 0C 5 -12,-1.8 -12,-3.2 157,-0.1 -1,-0.4 -0.965 59.9-113.6-158.6 164.4 2.2 3.1 -1.2 31 31 A G E +I 17 0C 1 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.396 28.9 179.2 -93.9 179.6 1.4 0.4 1.4 32 32 A G E -I 16 0C 0 -16,-0.9 -16,-2.1 -2,-0.1 2,-0.4 -0.946 25.9-116.6-167.2 170.6 -0.6 0.7 4.5 33 33 A T E -IK 15 41C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.996 23.0-130.5-122.3 125.0 -1.8 -1.4 7.5 34 34 A L E + K 0 40C 0 -20,-2.7 78,-3.4 -2,-0.4 6,-0.2 -0.644 35.0 165.8 -69.3 122.2 -5.5 -2.1 8.1 35 35 A I E + 0 0 3 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.616 66.2 14.5-118.4 -20.5 -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 -0.921 89.0-100.2-136.8 168.7 -9.8 -1.0 12.0 37 37 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.768 127.7 28.1 -61.3 -21.0 -12.4 -2.3 9.5 38 38 A N T 3 S+ 0 0 51 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.119 112.8 74.7-125.1 20.5 -12.7 1.3 8.4 39 39 A W E < -KL 36 98C 5 -3,-1.4 -4,-2.5 59,-0.2 -3,-1.8 -0.993 51.4-169.3-137.8 136.6 -9.2 2.8 9.1 40 40 A V E -KL 34 97C 0 57,-2.4 57,-2.9 -2,-0.4 2,-0.5 -0.969 14.3-144.0-120.4 139.1 -5.8 2.4 7.5 41 41 A M E +KL 33 96C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.880 36.9 146.1 -98.6 126.2 -2.4 3.5 8.9 42 42 A T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.4 -0.717 50.3 -70.2-142.0-171.7 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 -0.734 31.9-134.3 -89.1 138.5 2.8 7.4 5.9 44 44 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.6 1,-0.2 -1,-0.1 0.888 105.4 60.8 -53.4 -41.3 2.0 11.1 5.7 45 45 A H G >4 S+ 0 0 57 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.754 93.4 65.6 -66.8 -20.1 4.2 11.6 2.7 46 46 A a G <4 S+ 0 0 4 -3,-1.0 -1,-0.3 1,-0.2 3,-0.2 0.785 107.6 39.9 -69.6 -24.3 2.1 9.1 0.8 47 47 A V G << S+ 0 0 14 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.143 79.9 104.4-116.5 24.0 -0.8 11.4 0.9 48 48 A D < + 0 0 62 -3,-1.0 -1,-0.2 -4,-0.1 -2,-0.1 0.878 67.0 84.2 -66.4 -38.2 0.9 14.9 0.3 49 49 A R S S- 0 0 129 -4,-0.3 2,-2.1 -3,-0.2 0, 0.0 -0.436 89.2-121.6 -75.5 144.8 -0.4 14.9 -3.3 50 50 A E + 0 0 199 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.268 67.0 137.8 -76.0 50.3 -3.9 16.2 -4.0 51 51 A L - 0 0 60 -2,-2.1 2,-0.6 -4,-0.1 -31,-0.0 -0.439 62.3-106.3 -99.1 167.8 -4.9 12.8 -5.6 52 52 A T - 0 0 92 -31,-0.3 -31,-1.9 -2,-0.1 2,-0.3 -0.882 45.7-163.2 -92.1 123.2 -7.9 10.6 -5.5 53 53 A F E +J 20 0C 12 -2,-0.6 21,-1.6 21,-0.2 2,-0.3 -0.792 17.9 180.0-114.2 147.7 -7.1 7.5 -3.4 54 54 A R E -JM 19 73C 46 -35,-2.3 -35,-2.8 -2,-0.3 2,-0.4 -0.948 19.1-136.1-132.8 162.2 -8.5 4.1 -2.8 55 55 A V E -JM 18 72C 0 17,-3.1 17,-2.6 -2,-0.3 2,-0.5 -0.940 9.0-157.7-113.5 139.8 -7.4 1.2 -0.6 56 56 A V E -JM 17 71C 0 -39,-2.3 -39,-2.0 -2,-0.4 3,-0.3 -0.976 10.5-174.8-116.2 121.9 -7.3 -2.5 -1.7 57 57 A V E S+ M 0 70C 2 13,-2.3 13,-2.2 -2,-0.5 52,-0.1 -0.757 70.1 34.0-104.8 159.2 -7.4 -5.1 1.0 58 58 A G S S+ 0 0 5 50,-0.6 2,-0.4 -43,-0.4 10,-0.3 0.793 86.3 151.3 65.1 28.0 -7.0 -8.8 0.2 59 59 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.769 16.1 150.7 -94.5 133.8 -4.6 -7.9 -2.5 60 60 A H S S+ 0 0 9 -2,-0.4 85,-1.7 1,-0.3 2,-0.5 0.621 71.4 32.8-121.7 -47.4 -1.7 -10.2 -3.5 61 61 A N B > -O 144 0D 11 3,-0.3 3,-1.0 83,-0.2 -1,-0.3 -0.964 64.7-155.4-118.1 116.9 -0.9 -9.5 -7.2 62 62 A L T 3 S+ 0 0 32 81,-2.5 -1,-0.1 -2,-0.5 82,-0.1 0.758 94.0 39.3 -62.0 -24.2 -1.4 -5.9 -8.3 63 63 A N T 3 S+ 0 0 104 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.288 110.7 56.6-114.9 5.8 -2.0 -7.0 -11.9 64 64 A Q S < S- 0 0 120 -3,-1.0 2,-0.6 79,-0.2 -3,-0.3 -0.966 86.9 -99.3-139.7 152.7 -4.1 -10.2 -11.7 65 65 A N - 0 0 138 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.626 31.7-177.7 -73.9 118.5 -7.4 -11.2 -10.1 66 66 A D - 0 0 26 -2,-0.6 -1,-0.2 -5,-0.2 -4,-0.0 0.623 35.7-129.3 -87.9 -19.7 -6.7 -12.9 -6.8 67 67 A G S S+ 0 0 63 1,-0.0 -8,-0.1 2,-0.0 -2,-0.1 0.504 95.1 73.5 80.3 7.8 -10.3 -13.6 -6.1 68 68 A T + 0 0 26 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.397 64.8 120.7-131.1 -3.4 -9.9 -12.1 -2.6 69 69 A E - 0 0 28 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.355 37.1-168.0 -75.9 147.2 -9.7 -8.3 -3.1 70 70 A Q E -M 57 0C 44 -13,-2.2 -13,-2.3 -2,-0.1 2,-0.5 -0.997 11.9-153.6-127.9 132.6 -12.0 -5.6 -1.7 71 71 A Y E +M 56 0C 111 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.913 18.3 175.5-110.0 128.0 -11.7 -2.1 -3.2 72 72 A V E -M 55 0C 10 -17,-2.6 -17,-3.1 -2,-0.5 -2,-0.0 -0.995 26.2-122.8-140.5 134.1 -12.7 0.9 -1.0 73 73 A G E -M 54 0C 32 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.309 27.3-116.9 -66.8 153.6 -12.6 4.7 -1.4 74 74 A V E +N 99 0C 30 -21,-1.6 25,-0.2 25,-0.2 -21,-0.2 -0.883 30.9 179.7 -94.2 118.9 -10.8 6.9 1.1 75 75 A Q E + 0 0 112 23,-2.5 2,-0.3 -2,-0.6 24,-0.2 0.782 64.6 13.2 -91.1 -35.2 -13.3 9.2 2.8 76 76 A K E -N 98 0C 86 22,-1.5 22,-2.7 2,-0.0 2,-0.5 -0.995 58.4-154.8-149.8 140.2 -11.1 11.2 5.1 77 77 A I E -N 97 0C 66 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.977 8.3-174.5-119.4 121.3 -7.3 11.8 5.5 78 78 A V E -N 96 0C 29 18,-3.1 18,-2.6 -2,-0.5 2,-0.3 -0.925 8.8-169.8-116.6 103.2 -5.9 12.8 8.9 79 79 A V E -N 95 0C 45 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.655 39.9 -90.2 -86.2 150.4 -2.1 13.5 8.7 80 80 A H > - 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