==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-JUN-90 7EST . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR I.LI DE LASIERRA,T.PRANGE . 241 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 34.4 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 . 22 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.0 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 . 1 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 0 1 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 16 E V 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.3 11.7 61.8 1.4 2 17 E V B +A 182 0A 10 180,-2.3 180,-1.2 1,-0.2 134,-0.1 -0.800 360.0 19.5 -94.5 142.8 15.2 62.5 2.8 3 18 E G S S+ 0 0 38 132,-0.5 146,-0.3 -2,-0.4 -1,-0.2 0.857 98.0 150.5 70.7 41.3 16.5 66.1 2.1 4 19 E G - 0 0 27 -3,-0.5 2,-0.4 144,-0.1 144,-0.2 -0.353 43.6-140.4-104.1 174.4 13.1 67.5 1.4 5 20 E T E -B 147 0B 81 142,-2.6 142,-2.1 -2,-0.1 2,-0.0 -0.991 38.8 -98.4-130.9 136.0 11.2 70.7 1.6 6 21 E E E -B 146 0B 120 -2,-0.4 140,-0.3 140,-0.2 2,-0.1 -0.344 41.6-138.1 -51.5 124.6 7.5 71.0 2.7 7 22 E A - 0 0 5 138,-2.5 2,-0.2 53,-0.1 -1,-0.1 -0.395 23.4 -99.6 -77.5 170.9 5.3 71.2 -0.4 8 23 E Q >> - 0 0 125 -2,-0.1 3,-1.4 1,-0.1 4,-0.6 -0.531 35.6 -98.6 -91.2 160.7 2.4 73.6 -0.6 9 24 E R T 34 S+ 0 0 118 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.673 119.9 21.1 -47.1 -25.2 -1.3 72.6 -0.0 10 25 E N T 34 S+ 0 0 71 1,-0.0 -1,-0.3 99,-0.0 50,-0.0 0.274 90.0 100.4-135.7 16.1 -2.0 72.4 -3.7 11 26 E S T <4 S+ 0 0 42 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.0 0.885 99.7 24.8 -70.9 -35.3 1.4 71.9 -5.5 12 27 E W >< + 0 0 22 -4,-0.6 3,-0.7 1,-0.1 -1,-0.3 -0.762 69.7 164.4-131.8 85.3 0.8 68.2 -6.0 13 28 E P T 3 + 0 0 41 0, 0.0 97,-1.1 0, 0.0 45,-0.3 0.575 69.3 64.2 -91.8 -11.4 -3.0 67.3 -5.9 14 29 E S T 3 S+ 0 0 7 95,-0.2 20,-2.5 97,-0.2 2,-0.4 0.540 78.8 111.8 -72.3 -14.1 -2.9 63.8 -7.3 15 30 E Q E < -J 33 0C 5 -3,-0.7 44,-0.5 18,-0.2 43,-0.4 -0.488 46.7-179.8 -70.2 119.0 -0.9 62.7 -4.2 16 31 E I E -J 32 0C 1 16,-1.7 16,-0.5 -2,-0.4 2,-0.5 -0.751 26.0-125.2-114.7 164.1 -2.9 60.4 -1.9 17 32 E S E -JK 31 56C 0 39,-1.7 39,-2.2 -2,-0.3 2,-0.6 -0.939 15.6-149.3-103.0 129.0 -2.1 58.6 1.3 18 33 E L E -JK 30 55C 0 12,-2.5 11,-2.3 -2,-0.5 12,-0.8 -0.918 24.8-175.2 -90.7 122.7 -2.6 54.9 1.5 19 34 E Q E -JK 28 54C 12 35,-2.8 35,-2.8 -2,-0.6 2,-0.4 -0.957 14.9-157.3-122.7 141.5 -3.5 54.1 5.0 20 35 E Y E -JK 27 53C 61 7,-2.1 7,-1.9 -2,-0.4 33,-0.2 -0.901 32.6-102.1-114.7 146.8 -4.0 50.7 6.6 21 36 E R E -J 26 0C 135 31,-2.6 2,-0.4 -2,-0.4 5,-0.3 -0.491 29.5-163.2 -73.7 143.5 -6.1 50.2 9.8 22 36AE S E > -J 25 0C 55 3,-3.6 2,-2.0 -2,-0.2 3,-1.5 -0.750 52.4 -80.5-133.9 67.8 -4.0 49.8 12.8 23 36BE G T 3 S+ 0 0 71 -2,-0.4 -2,-0.1 1,-0.3 3,-0.0 -0.412 122.3 7.7 76.0 -81.2 -6.3 48.3 15.5 24 36CE S T 3 S+ 0 0 112 -2,-2.0 -1,-0.3 2,-0.0 2,-0.2 0.643 135.1 21.7-101.7 -20.8 -8.0 51.4 16.7 25 37 E S E < S-J 22 0C 68 -3,-1.5 -3,-3.6 -5,-0.1 2,-0.3 -0.559 80.5 -94.5-144.4-176.1 -6.8 53.9 14.1 26 38 E W E -J 21 0C 70 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.806 32.3-156.3-115.6 159.9 -5.3 54.2 10.6 27 39 E A E -J 20 0C 23 -7,-1.9 -7,-2.1 -2,-0.3 2,-0.4 -0.994 21.1-111.5-139.0 145.7 -1.6 54.5 9.6 28 40 E H E +J 19 0C 25 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.581 43.8 153.4 -71.9 127.9 0.4 55.8 6.8 29 41 E T E - 0 0 38 -11,-2.3 2,-0.2 1,-0.4 159,-0.2 0.658 60.0 -11.1-115.5 -60.4 2.1 53.1 4.8 30 42 E a E -J 18 0C 4 -12,-0.8 -12,-2.5 1,-0.1 -1,-0.4 -0.693 57.8-119.0-139.9 169.4 2.6 54.3 1.2 31 43 E G E +J 17 0C 2 157,-2.9 12,-0.3 -14,-0.2 2,-0.3 -0.198 29.4 175.7 -93.9-159.4 1.8 57.1 -1.3 32 44 E G E -J 16 0C 0 -16,-0.5 -16,-1.7 10,-0.1 2,-0.5 -0.937 29.8-105.1 172.7 171.2 -0.0 56.8 -4.7 33 45 E T E -JL 15 41C 0 8,-2.4 8,-2.4 -2,-0.3 2,-0.8 -0.970 23.6-134.2-122.7 115.4 -1.5 58.7 -7.6 34 46 E L E + L 0 40C 0 -20,-2.5 78,-2.4 -2,-0.5 6,-0.3 -0.539 33.9 169.6 -58.9 101.7 -5.2 59.3 -8.1 35 47 E I E + 0 0 1 4,-2.9 2,-0.3 -2,-0.8 5,-0.2 0.697 63.6 18.3 -97.5 -24.4 -5.4 58.4 -11.8 36 48 E R E > S- L 0 39C 80 3,-2.1 3,-1.5 74,-0.1 -1,-0.2 -0.912 93.3 -96.8-127.3 173.8 -9.3 58.2 -12.2 37 49 E Q T 3 S+ 0 0 94 -2,-0.3 66,-2.8 1,-0.3 64,-0.1 0.773 130.5 22.7 -57.7 -24.6 -12.0 59.7 -9.9 38 50 E N T 3 S+ 0 0 35 64,-0.3 61,-2.7 1,-0.1 2,-0.4 0.076 112.1 86.3-127.1 24.8 -12.1 56.2 -8.4 39 51 E W E < -LM 36 98C 5 -3,-1.5 -4,-2.9 59,-0.2 -3,-2.1 -0.963 47.6-172.2-134.2 124.1 -8.7 54.8 -9.3 40 52 E V E -LM 34 97C 0 57,-2.7 57,-2.8 -2,-0.4 2,-0.3 -0.927 12.6-151.3-110.8 112.7 -5.4 55.0 -7.5 41 53 E M E +LM 33 96C 0 -8,-2.4 -8,-2.4 -2,-0.6 2,-0.3 -0.603 35.8 144.0 -64.0 136.7 -2.1 53.8 -9.0 42 54 E T E - M 0 95C 0 53,-2.4 53,-2.6 -2,-0.3 2,-0.4 -0.841 53.4 -63.4-151.3-170.3 0.4 52.7 -6.2 43 55 E A >> - 0 0 0 -12,-0.3 3,-1.4 51,-0.3 4,-1.2 -0.711 28.7-137.3 -79.5 138.6 3.0 49.9 -5.8 44 56 E A G >4 S+ 0 0 0 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.976 108.9 63.0 -51.3 -55.6 2.0 46.3 -5.8 45 57 E H G >4 S+ 0 0 26 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.634 96.4 56.4 -35.2 -29.0 4.5 46.1 -2.9 46 58 E a G X4 S+ 0 0 10 -3,-1.4 2,-0.8 1,-0.2 3,-0.6 0.944 109.3 44.2 -76.6 -41.4 2.3 48.5 -0.8 47 59 E V G << S+ 0 0 13 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.1 -0.280 84.1 107.2 -97.3 45.8 -0.7 46.4 -1.0 48 60 E D G < + 0 0 59 -2,-0.8 2,-0.3 -3,-0.6 -1,-0.2 0.741 62.8 71.2-101.6 -26.8 1.2 43.2 -0.3 49 61 E R S < S- 0 0 163 -3,-0.6 2,-1.9 -4,-0.1 0, 0.0 -0.693 90.0-113.1 -89.9 146.0 0.0 42.5 3.2 50 62 E E + 0 0 172 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.492 69.5 132.3 -73.4 74.9 -3.5 41.4 4.2 51 63 E L - 0 0 62 -2,-1.9 2,-0.4 -29,-0.0 -29,-0.1 -0.914 65.3-102.4-125.8 150.3 -4.5 44.7 5.9 52 64 E T - 0 0 102 -2,-0.3 -31,-2.6 -31,-0.3 2,-0.4 -0.633 45.9-159.2 -76.4 128.2 -7.7 46.9 5.6 53 65 E F E -K 20 0C 15 -2,-0.4 21,-2.2 -33,-0.2 2,-0.3 -0.872 18.7-177.4-113.6 136.4 -6.8 50.0 3.5 54 65AE R E -KN 19 73C 51 -35,-2.8 -35,-2.8 -2,-0.4 2,-0.4 -0.915 19.6-138.5-114.6 157.8 -8.3 53.4 3.0 55 66 E V E -KN 18 72C 0 17,-3.2 17,-2.8 -2,-0.3 2,-0.5 -0.896 10.3-154.7-107.7 141.7 -7.1 56.1 0.6 56 67 E V E -KN 17 71C 0 -39,-2.2 -39,-1.7 -2,-0.4 3,-0.4 -0.962 10.2-173.5-118.3 109.7 -7.0 59.8 1.7 57 68 E V E S+ N 0 70C 2 13,-2.0 13,-2.6 -2,-0.5 52,-0.1 -0.697 71.5 35.8 -91.0 153.4 -7.3 62.4 -1.1 58 69 E G S S+ 0 0 6 50,-0.6 2,-0.4 -43,-0.4 10,-0.3 0.728 84.1 151.8 77.2 23.3 -6.8 66.2 -0.1 59 70 E E + 0 0 13 -44,-0.5 -1,-0.2 -3,-0.4 3,-0.1 -0.692 13.5 142.8 -95.2 133.8 -4.1 65.3 2.5 60 71 E H S S+ 0 0 8 1,-0.4 85,-2.1 -2,-0.4 2,-0.5 0.508 75.7 32.8-126.8 -45.8 -1.3 67.6 3.4 61 72 E N B -P 144 0D 11 3,-0.3 -1,-0.4 83,-0.2 83,-0.2 -0.977 65.4-164.7-116.8 121.1 -0.8 67.1 7.1 62 73 E L S S+ 0 0 35 81,-2.4 -1,-0.2 -2,-0.5 4,-0.1 0.997 86.5 45.0 -66.2 -56.7 -1.4 63.6 8.2 63 74 E N S S+ 0 0 121 80,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.461 112.0 53.1 -70.5 -12.7 -1.7 64.2 12.0 64 75 E Q S S- 0 0 128 79,-0.2 2,-0.6 -3,-0.2 -3,-0.3 -0.873 88.2-103.9-130.7 150.6 -3.9 67.4 11.8 65 76 E N - 0 0 130 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.689 31.7-178.6 -80.2 119.4 -7.3 68.2 10.2 66 77 E N - 0 0 28 -2,-0.6 -1,-0.2 -5,-0.2 -4,-0.0 0.619 39.8-122.1 -93.9 -14.1 -6.7 70.3 7.1 67 78 E G S S+ 0 0 65 2,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.394 99.6 76.2 84.1 -0.8 -10.4 70.9 6.0 68 79 E T + 0 0 22 -10,-0.3 2,-0.2 40,-0.0 -9,-0.1 0.366 62.7 116.7-121.5 -0.7 -9.5 69.3 2.6 69 80 E E - 0 0 24 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.514 37.6-171.0 -87.0 143.5 -9.3 65.5 3.3 70 81 E Q E -N 57 0C 45 -13,-2.6 -13,-2.0 -2,-0.2 2,-0.5 -0.991 10.4-157.4-123.0 132.9 -11.6 63.0 1.8 71 82 E Y E +N 56 0C 106 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.957 17.9 172.8-112.0 124.9 -11.3 59.5 3.2 72 83 E V E -N 55 0C 9 -17,-2.8 -17,-3.2 -2,-0.5 2,-0.1 -0.999 28.8-120.9-138.5 133.9 -12.5 56.7 0.8 73 84 E G E -N 54 0C 34 -2,-0.4 27,-2.8 -19,-0.2 2,-0.5 -0.435 28.5-110.0 -77.3 147.4 -12.1 52.9 1.3 74 85 E V E -O 99 0C 29 -21,-2.2 25,-0.2 25,-0.2 -21,-0.2 -0.637 32.4-178.0 -77.9 123.4 -10.3 50.7 -1.2 75 86 E Q E + 0 0 120 23,-2.4 2,-0.4 -2,-0.5 24,-0.2 0.934 65.2 12.4 -85.6 -56.3 -12.7 48.4 -3.0 76 87 E K E -O 98 0C 91 22,-1.8 22,-2.5 2,-0.0 2,-0.6 -0.976 57.6-156.1-135.0 129.6 -10.4 46.3 -5.3 77 88 E I E -O 97 0C 68 -2,-0.4 2,-0.7 20,-0.2 20,-0.2 -0.882 11.9-174.1-106.7 109.7 -6.6 45.8 -5.4 78 89 E V E -O 96 0C 27 18,-2.6 18,-2.6 -2,-0.6 2,-0.2 -0.906 8.3-166.8-106.2 111.5 -5.3 44.7 -8.9 79 90 E V E -O 95 0C 55 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.570 38.5 -86.3 -96.2 157.7 -1.6 43.9 -8.7 80 91 E H > - 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