==== 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 16-SEP-03 1UO6 . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.MUELLER-DIECKMANN,M.POLENTARUTTI,K.DJINOVIC-CARUGO, . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10769.0 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 . 18 7.5 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,-0.4 0.000 360.0 360.0 360.0 121.2 11.3 -4.5 -1.6 2 2 A V B 3 +A 182 0A 11 180,-2.5 180,-1.9 1,-0.2 134,-0.1 -0.789 360.0 10.9 -94.3 135.9 14.8 -5.2 -2.8 3 3 A G T 3 S+ 0 0 43 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.796 97.6 142.5 69.5 30.3 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 -0.286 45.0-134.8 -94.5 179.0 12.7 -10.0 -1.0 5 5 A T E -B 147 0B 89 142,-2.4 142,-2.6 -2,-0.1 2,-0.3 -0.921 39.0 -88.6-125.9 155.8 10.9 -13.3 -1.5 6 6 A E E -B 146 0B 105 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.485 45.8-127.5 -69.2 129.4 7.2 -13.7 -2.6 7 7 A A - 0 0 2 138,-2.7 138,-0.1 -2,-0.3 2,-0.1 -0.469 23.4-107.1 -72.4 146.6 5.0 -13.6 0.5 8 8 A Q > - 0 0 136 -2,-0.1 3,-1.7 1,-0.1 4,-0.5 -0.463 37.5-109.2 -66.1 151.3 2.5 -16.5 0.9 9 9 A R T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.693 113.0 35.6 -55.2 -28.3 -1.1 -15.2 0.2 10 10 A N T 3 S+ 0 0 96 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.257 89.6 94.0-118.3 22.0 -2.2 -15.3 3.9 11 11 A S S < S+ 0 0 53 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.880 96.2 25.2 -78.4 -39.0 0.9 -14.3 5.8 12 12 A W > + 0 0 24 -4,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.559 65.9 165.5-127.5 70.7 0.3 -10.6 6.2 13 13 A P T 3 S+ 0 0 31 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.569 72.4 62.3 -71.5 -7.2 -3.5 -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 0.579 77.7 107.9 -90.9 -9.9 -3.3 -6.4 7.3 15 15 A Q E < -I 33 0C 5 -3,-1.9 43,-0.4 18,-0.2 44,-0.4 -0.503 49.7-175.3 -68.9 133.9 -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 -0.842 24.5-127.0-122.5 161.6 -3.1 -3.0 2.0 17 17 A S E -IJ 31 56C 0 39,-2.1 39,-2.3 -2,-0.3 2,-0.6 -0.955 18.6-152.7-106.7 123.1 -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 -0.885 24.6 179.7 -98.0 119.7 -2.9 2.5 -1.4 19 19 A Q E -IJ 28 54C 8 35,-2.8 35,-2.3 -2,-0.6 2,-0.3 -0.873 19.3-146.0-123.9 157.8 -3.6 3.5 -5.0 20 20 A Y E -IJ 27 53C 56 7,-2.4 7,-2.6 -2,-0.3 2,-0.3 -0.908 31.0-101.0-124.9 152.1 -4.4 6.7 -6.9 21 21 A R E +I 26 0C 136 31,-2.1 2,-0.4 -2,-0.3 31,-0.3 -0.554 40.0 179.1 -70.5 130.3 -6.6 7.3 -9.9 22 22 A S E > -I 25 0C 51 3,-2.9 3,-2.4 -2,-0.3 2,-0.3 -0.930 58.9 -54.2-137.7 102.1 -4.5 7.7 -13.0 23 23 A G T 3 S- 0 0 66 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.453 120.0 -23.6 65.1-121.5 -6.4 8.3 -16.3 24 24 A S T 3 S+ 0 0 127 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.265 132.7 61.0-104.0 8.1 -9.0 5.4 -16.5 25 25 A S E < S-I 22 0C 64 -3,-2.4 -3,-2.9 -5,-0.0 2,-0.4 -0.590 78.8-114.2-124.1-175.9 -6.9 3.1 -14.2 26 26 A W E -I 21 0C 83 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.973 23.3-155.8-122.9 139.9 -5.6 3.0 -10.7 27 27 A A E -I 20 0C 26 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.2 -0.976 19.0-121.7-120.7 131.6 -1.9 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 -0.507 38.5 160.8 -65.5 136.5 -0.3 1.6 -6.7 29 29 A T E - 0 0 23 -11,-2.9 2,-0.3 1,-0.4 159,-0.2 0.646 56.7 -4.7-126.7 -27.8 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 -0.968 60.0-114.5-159.0 167.5 2.2 3.1 -1.2 31 31 A G E +I 17 0C 1 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.426 29.3 179.5 -97.2-173.1 1.4 0.4 1.3 32 32 A G E -I 16 0C 0 -16,-0.9 -16,-2.1 -2,-0.2 2,-0.4 -0.945 26.2-114.8-172.9 170.1 -0.6 0.7 4.5 33 33 A T E -IK 15 41C 0 8,-2.6 8,-2.9 -2,-0.3 2,-0.5 -0.994 22.7-130.9-122.0 125.8 -1.8 -1.3 7.5 34 34 A L E + K 0 40C 0 -20,-2.7 78,-3.3 -2,-0.4 6,-0.2 -0.636 35.1 165.6 -71.1 122.9 -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 0.593 66.0 15.4-117.2 -18.6 -6.0 -1.1 11.8 36 36 A R E > S- K 0 39C 89 3,-1.7 3,-1.5 74,-0.1 -1,-0.4 -0.926 88.8-100.8-140.4 164.8 -9.8 -1.0 12.0 37 37 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.3 1,-0.3 64,-0.1 0.803 127.7 27.5 -61.3 -22.1 -12.4 -2.3 9.5 38 38 A N T 3 S+ 0 0 50 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.088 113.6 75.5-123.3 22.0 -12.7 1.3 8.3 39 39 A W E < -KL 36 98C 5 -3,-1.5 -4,-2.5 59,-0.2 -3,-1.7 -0.990 51.3-169.7-138.6 138.2 -9.2 2.7 9.1 40 40 A V E -KL 34 97C 0 57,-2.4 57,-3.0 -2,-0.4 2,-0.5 -0.965 14.3-144.4-122.8 139.5 -5.8 2.4 7.5 41 41 A M E +KL 33 96C 0 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.2 -0.887 36.6 146.4 -98.9 125.9 -2.5 3.5 8.9 42 42 A T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.3 -0.700 50.5 -70.7-142.6-171.8 0.0 4.8 6.3 43 43 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.5 -0.750 32.2-134.2 -89.4 140.8 2.8 7.4 5.9 44 44 A A G > S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.877 105.0 60.9 -57.7 -37.9 1.9 11.1 5.7 45 45 A H G > S+ 0 0 56 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.774 93.7 65.3 -66.8 -21.3 4.2 11.6 2.7 46 46 A a G < S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.2 3,-0.2 0.771 106.4 41.8 -68.8 -25.7 2.1 9.1 0.7 47 47 A V G < S+ 0 0 14 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.113 80.4 105.6-113.6 28.9 -0.8 11.4 0.9 48 48 A D < + 0 0 61 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.1 0.887 65.5 79.4 -69.4 -41.9 0.9 14.7 0.2 49 49 A R S S- 0 0 127 -4,-0.3 2,-2.0 -3,-0.2 0, 0.0 -0.397 89.7-119.8 -72.2 147.6 -0.4 14.9 -3.3 50 50 A E + 0 0 196 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.223 66.3 138.4 -79.0 52.8 -3.9 16.1 -3.9 51 51 A L - 0 0 59 -2,-2.0 2,-0.6 -4,-0.0 -31,-0.0 -0.392 62.2-104.2 -96.3 169.8 -4.9 12.8 -5.6 52 52 A T - 0 0 92 -31,-0.3 -31,-2.1 -2,-0.1 2,-0.3 -0.893 46.7-162.9 -92.7 120.8 -8.0 10.6 -5.5 53 53 A F E -J 20 0C 13 -2,-0.6 21,-1.6 21,-0.2 2,-0.3 -0.777 17.6-179.4-113.1 150.3 -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 -0.942 18.6-137.1-135.2 158.6 -8.5 4.1 -2.9 55 55 A V E -JM 18 72C 1 17,-3.1 17,-2.5 -2,-0.3 2,-0.5 -0.952 8.7-157.6-115.7 139.8 -7.4 1.2 -0.7 56 56 A V E -JM 17 71C 0 -39,-2.3 -39,-2.1 -2,-0.4 3,-0.3 -0.977 10.5-173.9-117.9 120.3 -7.3 -2.5 -1.7 57 57 A V E S+ M 0 70C 2 13,-2.3 13,-2.1 -2,-0.5 52,-0.1 -0.747 70.7 33.2-104.6 154.8 -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 0.812 86.4 151.8 69.6 28.3 -7.0 -8.8 0.3 59 59 A E + 0 0 16 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.775 15.7 151.7 -95.4 131.2 -4.5 -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 0.617 71.1 31.9-121.2 -48.7 -1.7 -10.2 -3.5 61 61 A N B > -O 144 0D 13 3,-0.3 3,-1.0 83,-0.2 -1,-0.3 -0.954 65.3-154.6-113.1 116.5 -0.9 -9.5 -7.2 62 62 A L T 3 S+ 0 0 34 81,-2.5 -1,-0.1 -2,-0.5 82,-0.1 0.770 93.9 39.4 -59.8 -27.9 -1.4 -5.9 -8.3 63 63 A N T 3 S+ 0 0 107 80,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.339 110.1 55.6-106.9 3.7 -2.0 -7.0 -12.0 64 64 A Q S < S- 0 0 130 -3,-1.0 2,-0.4 79,-0.2 -3,-0.3 -0.979 87.8 -98.8-136.6 151.8 -4.0 -10.2 -11.8 65 65 A N - 0 0 138 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.537 32.0-177.2 -71.3 120.4 -7.4 -11.1 -10.2 66 66 A D - 0 0 25 -2,-0.4 -1,-0.2 -5,-0.1 -4,-0.0 0.601 35.1-130.1 -87.7 -19.0 -6.7 -12.8 -6.8 67 67 A G S S+ 0 0 62 1,-0.1 -2,-0.1 2,-0.0 -8,-0.1 0.556 94.1 74.5 80.1 9.2 -10.4 -13.5 -6.1 68 68 A T + 0 0 26 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.416 64.7 121.1-129.7 -3.8 -10.0 -12.1 -2.6 69 69 A E - 0 0 27 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.337 37.9-167.3 -74.0 150.3 -9.8 -8.3 -3.1 70 70 A Q E -M 57 0C 43 -13,-2.1 -13,-2.3 -2,-0.1 2,-0.4 -0.995 11.7-154.5-130.2 127.0 -12.0 -5.6 -1.7 71 71 A Y E +M 56 0C 110 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.891 18.5 174.0-107.0 125.5 -11.7 -2.1 -3.2 72 72 A V E -M 55 0C 11 -17,-2.5 -17,-3.1 -2,-0.4 -2,-0.0 -0.994 26.6-123.9-138.7 135.0 -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 -0.325 27.9-114.1 -71.7 155.9 -12.5 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 -0.870 31.8 179.6 -93.8 117.4 -10.7 6.9 1.1 75 75 A Q E + 0 0 109 23,-2.3 2,-0.3 -2,-0.6 24,-0.2 0.784 64.9 14.0 -89.3 -34.7 -13.3 9.2 2.8 76 76 A K E -N 98 0C 84 22,-1.5 22,-2.8 2,-0.0 2,-0.5 -0.992 58.8-155.2-148.8 138.5 -11.1 11.2 5.1 77 77 A I E -N 97 0C 67 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.972 8.3-174.7-117.4 121.5 -7.3 11.8 5.5 78 78 A V E -N 96 0C 29 18,-3.1 18,-2.7 -2,-0.5 2,-0.3 -0.928 8.3-169.8-116.5 103.4 -5.9 12.7 8.9 79 79 A V E -N 95 0C 45 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.666 40.0 -90.9 -87.3 151.5 -2.1 13.5 8.7 80 80 A H > - 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