==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEASE) 06-JUN-00 1E35 . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR P.A.WRIGHT,R.C.WILMOUTH,I.J.CLIFTON,C.J.SCHOFIELD . 241 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 63.1 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 . 79 32.8 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 . 4 1.7 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 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.1 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 . 4 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 16 B V 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 119.8 -11.4 33.2 35.9 2 17 B V B +A 182 0A 8 180,-2.1 180,-1.6 1,-0.2 134,-0.2 -0.777 360.0 14.4 -89.0 142.6 -14.9 33.9 34.6 3 18 B G S S+ 0 0 44 132,-0.6 -1,-0.2 -2,-0.3 2,-0.1 0.745 98.6 139.5 67.8 24.8 -16.3 37.4 35.3 4 19 B G - 0 0 23 -3,-0.5 2,-0.3 131,-0.2 144,-0.2 -0.292 46.3-134.9 -98.0-178.4 -12.9 38.7 36.3 5 20 B T E -B 147 0B 84 142,-2.4 142,-2.1 -2,-0.1 2,-0.3 -0.918 38.1 -90.3-126.6 157.8 -11.0 42.0 35.7 6 21 B E E -B 146 0B 111 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.552 45.8-130.9 -71.3 127.8 -7.3 42.3 34.7 7 22 B A - 0 0 2 138,-2.2 2,-0.2 -2,-0.3 138,-0.1 -0.511 23.2-104.4 -74.0 149.4 -5.2 42.5 37.8 8 23 B Q > - 0 0 134 -2,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.539 38.3-115.7 -61.8 147.0 -2.6 45.3 38.2 9 24 B R T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.584 111.8 45.7 -65.4 -12.3 0.8 43.5 37.5 10 25 B N T 3 S+ 0 0 84 1,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.324 88.8 87.8-113.5 11.6 2.1 44.1 41.1 11 26 B S S < S+ 0 0 36 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.870 98.2 26.1 -73.8 -39.6 -1.1 43.1 43.0 12 27 B W > + 0 0 28 -4,-0.5 3,-1.6 1,-0.1 -1,-0.2 -0.577 64.7 165.0-131.4 70.2 -0.4 39.4 43.4 13 28 B P T 3 S+ 0 0 30 0, 0.0 97,-1.4 0, 0.0 45,-0.4 0.611 73.4 61.2 -66.6 -14.8 3.4 38.8 43.3 14 29 B S T 3 S+ 0 0 8 95,-0.2 20,-2.9 97,-0.1 98,-0.2 0.641 78.8 105.0 -86.8 -14.1 3.1 35.2 44.7 15 30 B Q E < -I 33 0C 5 -3,-1.6 43,-0.4 18,-0.2 44,-0.4 -0.430 51.3-176.2 -67.1 135.0 1.0 34.0 41.8 16 31 B I E -I 32 0C 0 16,-2.3 16,-0.9 -2,-0.2 2,-0.5 -0.898 24.9-124.8-121.3 170.3 3.0 31.8 39.3 17 32 B S E -IJ 31 56C 0 39,-2.4 39,-2.3 -2,-0.3 2,-0.5 -0.946 18.3-153.0-113.7 124.4 2.1 30.1 36.0 18 33 B L E +IJ 30 55C 0 12,-3.0 11,-3.3 -2,-0.5 12,-1.8 -0.865 24.8 178.2 -99.7 119.4 2.7 26.3 35.9 19 34 B Q E -IJ 28 54C 9 35,-2.6 35,-2.6 -2,-0.5 2,-0.3 -0.867 20.3-144.9-125.1 157.3 3.4 25.3 32.3 20 35 B Y E -IJ 27 53C 67 7,-2.3 7,-2.7 -2,-0.3 2,-0.2 -0.936 31.5-100.5-127.7 150.6 4.3 22.1 30.4 21 36 B R E -I 26 0C 136 31,-2.0 2,-0.4 -2,-0.3 31,-0.3 -0.514 39.1-179.8 -69.8 129.9 6.6 21.6 27.4 22 36AB S E > -I 25 0C 55 3,-3.5 3,-2.4 -2,-0.2 2,-0.2 -0.928 58.2 -58.0-138.5 98.2 4.5 21.3 24.3 23 36BB G T 3 S- 0 0 68 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.374 119.8 -18.1 68.6-123.6 6.5 20.7 21.1 24 36CB S T 3 S+ 0 0 125 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.417 133.8 55.9 -94.3 -1.8 9.0 23.6 20.8 25 37 B S E < S-I 22 0C 63 -3,-2.4 -3,-3.5 -5,-0.0 2,-0.4 -0.571 78.1-114.3-124.6-173.0 6.9 25.8 23.1 26 38 B W E -I 21 0C 84 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.945 22.8-156.0-122.1 142.0 5.5 25.9 26.6 27 39 B A E -I 20 0C 27 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.2 -0.986 19.1-121.5-124.4 136.7 1.8 25.9 27.5 28 40 B H E +I 19 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.489 38.3 160.2 -67.4 140.0 0.2 27.3 30.7 29 41 B T E + 0 0 27 -11,-3.3 2,-0.3 1,-0.4 159,-0.2 0.612 57.0 0.1-131.1 -25.8 -1.8 24.6 32.5 30 42 B a E -I 18 0C 0 -12,-1.8 -12,-3.0 157,-0.1 -1,-0.4 -0.975 60.6-114.3-157.8 166.6 -2.3 25.7 36.1 31 43 B G E +I 17 0C 0 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.481 30.8 178.6 -93.3-173.3 -1.7 28.4 38.7 32 44 B G E -I 16 0C 0 -16,-0.9 -16,-2.3 -2,-0.2 2,-0.5 -0.945 25.6-115.4-176.3 167.8 0.5 28.0 41.8 33 45 B T E -IK 15 41C 0 8,-2.7 8,-2.8 -2,-0.3 2,-0.4 -0.986 20.6-131.2-120.4 124.3 1.7 30.1 44.8 34 46 B L E + K 0 40C 1 -20,-2.9 78,-3.2 -2,-0.5 6,-0.2 -0.602 36.8 162.2 -71.6 122.6 5.3 30.9 45.4 35 47 B I E + 0 0 1 4,-2.6 2,-0.3 -2,-0.4 5,-0.2 0.577 66.2 16.5-119.8 -20.0 5.9 30.0 49.1 36 48 B R E > S- K 0 39C 90 3,-1.9 3,-1.2 74,-0.1 -1,-0.4 -0.899 89.0-102.0-135.2 168.0 9.7 29.8 49.3 37 49 B Q T 3 S+ 0 0 85 -2,-0.3 66,-3.1 1,-0.3 64,-0.1 0.745 127.5 27.5 -63.5 -19.4 12.3 31.2 46.9 38 50 B N T 3 S+ 0 0 50 64,-0.2 61,-2.6 1,-0.1 2,-0.4 0.043 113.5 75.7-125.7 22.1 12.6 27.6 45.6 39 51 B W E < -KL 36 98C 4 -3,-1.2 -4,-2.6 59,-0.2 -3,-1.9 -0.985 51.3-170.8-136.4 137.7 9.2 26.1 46.5 40 52 B V E -KL 34 97C 0 57,-2.1 57,-2.9 -2,-0.4 2,-0.5 -0.949 14.6-144.5-124.7 136.9 5.7 26.5 44.8 41 53 B M E +KL 33 96C 0 -8,-2.8 -8,-2.7 -2,-0.4 2,-0.2 -0.900 36.2 147.4 -93.2 129.5 2.4 25.3 46.2 42 54 B T E - L 0 95C 0 53,-2.7 53,-2.0 -2,-0.5 2,-0.4 -0.721 50.6 -71.7-146.6-175.4 -0.1 24.0 43.6 43 55 B A >> - 0 0 0 -12,-0.4 3,-1.3 51,-0.3 4,-0.5 -0.740 31.8-133.0 -86.5 146.0 -2.9 21.5 43.2 44 56 B A G >4 S+ 0 0 0 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.883 105.7 62.6 -59.0 -39.1 -1.9 17.8 43.1 45 57 B H G >4 S+ 0 0 39 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.721 92.7 64.5 -63.0 -19.9 -4.3 17.4 40.0 46 58 B a G <4 S+ 0 0 7 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.710 107.2 41.3 -73.4 -25.0 -2.2 19.8 38.1 47 59 B V G << S+ 0 0 15 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.030 80.0 106.1-113.2 33.2 0.8 17.4 38.2 48 60 B D < + 0 0 48 -3,-1.0 2,-0.2 2,-0.1 -2,-0.1 0.868 67.0 77.5 -78.1 -32.8 -1.1 14.1 37.5 49 61 B R S S- 0 0 51 -4,-0.3 2,-2.2 -3,-0.1 0, 0.0 -0.524 89.1-122.7 -81.4 144.3 0.3 14.0 34.0 50 62 B E + 0 0 194 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.463 65.2 136.3 -82.9 61.7 3.9 12.8 33.4 51 63 B L - 0 0 77 -2,-2.2 2,-0.6 -4,-0.0 -31,-0.0 -0.662 64.0 -99.0-107.1 170.2 4.8 16.0 31.6 52 64 B T - 0 0 86 -31,-0.3 -31,-2.0 -2,-0.2 2,-0.3 -0.837 47.6-162.1 -90.8 123.1 7.8 18.4 31.7 53 65 B F E -J 20 0C 14 -2,-0.6 21,-1.3 -33,-0.2 2,-0.3 -0.790 17.3-179.7-108.8 150.9 6.9 21.3 33.9 54 65AB R E -JM 19 73C 45 -35,-2.6 -35,-2.6 -2,-0.3 2,-0.4 -0.965 19.1-137.7-137.0 158.4 8.3 24.8 34.4 55 66 B V E -JM 18 72C 0 17,-2.9 17,-2.6 -2,-0.3 2,-0.5 -0.943 10.1-157.6-113.5 142.8 7.3 27.6 36.7 56 67 B V E -JM 17 71C 0 -39,-2.3 -39,-2.4 -2,-0.4 3,-0.3 -0.982 10.7-172.3-121.1 119.9 7.1 31.2 35.6 57 68 B V E + M 0 70C 1 13,-2.3 13,-1.8 -2,-0.5 52,-0.1 -0.676 69.5 31.8-106.4 157.8 7.3 33.9 38.3 58 69 B G S S+ 0 0 5 50,-0.6 2,-0.4 -43,-0.4 10,-0.3 0.861 86.9 153.4 66.1 28.5 6.7 37.6 37.6 59 70 B E + 0 0 18 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.727 16.2 150.7 -90.9 139.2 4.3 36.7 34.8 60 71 B H + 0 0 7 -2,-0.4 85,-1.5 1,-0.3 2,-0.6 0.601 69.8 33.6-132.5 -50.8 1.5 39.0 33.8 61 72 B N B > -O 144 0D 12 3,-0.3 3,-1.3 83,-0.2 -1,-0.3 -0.934 62.0-159.6-115.1 118.7 0.7 38.4 30.1 62 73 B L T 3 S+ 0 0 36 81,-2.6 -1,-0.1 -2,-0.6 82,-0.1 0.775 91.2 46.1 -63.7 -30.1 1.2 34.8 28.9 63 74 B N T 3 S+ 0 0 102 80,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.231 110.7 49.3-100.9 13.3 1.5 35.8 25.2 64 75 B Q S < S- 0 0 130 -3,-1.3 2,-0.5 79,-0.2 -3,-0.3 -0.996 87.1-101.4-149.5 151.1 3.9 38.8 25.5 65 76 B N - 0 0 130 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.605 31.4-174.8 -72.9 126.1 7.3 39.6 27.1 66 77 B N - 0 0 31 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.596 36.1-126.2 -91.5 -18.9 6.5 41.6 30.2 67 78 B G S S+ 0 0 59 -3,-0.1 -2,-0.1 1,-0.0 -8,-0.1 0.609 95.2 74.5 82.9 10.9 10.1 42.3 31.0 68 79 B T + 0 0 27 -10,-0.3 2,-0.1 -11,-0.1 -9,-0.1 0.385 63.9 115.5-133.0 -6.8 9.7 40.9 34.5 69 80 B E - 0 0 25 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.417 41.0-163.9 -73.1 145.9 9.5 37.1 34.2 70 81 B Q E -M 57 0C 48 -13,-1.8 -13,-2.3 -2,-0.1 2,-0.5 -0.989 12.8-152.4-125.2 134.7 11.9 34.5 35.6 71 82 B Y E +M 56 0C 112 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.950 19.5 173.7-110.2 122.8 11.6 30.9 34.1 72 83 B V E -M 55 0C 11 -17,-2.6 -17,-2.9 -2,-0.5 -2,-0.0 -0.994 27.0-121.9-137.3 144.1 12.7 27.9 36.3 73 84 B G E -M 54 0C 32 -2,-0.4 27,-2.3 -19,-0.2 2,-0.6 -0.268 26.9-116.1 -75.2 164.6 12.5 24.2 35.9 74 85 B V E +N 99 0C 33 -21,-1.3 25,-0.2 25,-0.2 -21,-0.2 -0.924 31.9 177.6-101.0 120.5 10.7 21.9 38.4 75 86 B Q E + 0 0 106 23,-2.5 2,-0.3 -2,-0.6 24,-0.2 0.740 65.5 17.9 -98.4 -31.2 13.2 19.6 40.0 76 87 B K E -N 98 0C 69 22,-1.5 22,-2.9 2,-0.0 2,-0.5 -0.989 59.1-159.1-147.2 139.3 11.1 17.7 42.5 77 88 B I E -N 97 0C 69 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.978 8.2-175.0-120.2 122.0 7.3 17.2 42.8 78 89 B V E -N 96 0C 27 18,-3.1 18,-2.7 -2,-0.5 2,-0.2 -0.929 7.2-170.2-118.4 108.1 5.9 16.1 46.1 79 90 B V E -N 95 0C 53 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.632 41.3 -88.4 -96.2 152.3 2.2 15.4 46.0 80 91 B H > - 0 0 23 14,-2.3 3,-2.0 12,-0.3 -1,-0.1 -0.393 38.4-129.0 -54.7 130.6 0.2 14.9 49.2 81 92 B P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.736 106.0 53.5 -56.2 -23.0 0.5 11.1 49.9 82 93 B Y T 3 S+ 0 0 164 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.519 79.3 120.9 -91.5 -5.0 -3.3 10.8 50.3 83 94 B W < - 0 0 27 -3,-2.0 2,-0.4 9,-0.2 9,-0.1 -0.311 42.6-167.6 -59.8 142.1 -4.1 12.4 47.0 84 95 B N > - 0 0 67 7,-0.5 3,-2.7 3,-0.3 6,-0.2 -0.915 18.6-149.5-136.4 115.9 -6.1 10.1 44.6 85 96 B T T 3 S+ 0 0 83 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.763 98.0 53.6 -47.9 -39.9 -6.6 11.1 40.9 86 97 B D T 3 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.413 109.7 47.5 -78.1 -7.7 -10.0 9.3 40.8 87 98 B D X + 0 0 77 -3,-2.7 3,-1.2 4,-0.1 4,-0.5 -0.595 50.7 159.6-141.5 75.5 -11.5 11.2 43.8 88 99 B V G > S+ 0 0 39 -3,-0.3 3,-1.5 1,-0.3 5,-0.2 0.889 80.3 62.9 -63.7 -32.0 -11.0 15.0 43.8 89 99AB A G 3 S+ 0 0 19 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.709 90.0 67.9 -67.9 -17.3 -13.9 15.3 46.2 90 99BB A G < S- 0 0 34 -3,-1.2 -1,-0.3 1,-0.3 2,-0.2 0.692 100.6-142.7 -73.0 -20.7 -11.9 13.3 48.7 91 100 B G < + 0 0 2 -3,-1.5 -7,-0.5 -4,-0.5 -1,-0.3 -0.631 65.8 121.4 97.9-156.3 -9.5 16.2 49.1 92 101 B Y + 0 0 80 -2,-0.2 2,-2.0 1,-0.2 -12,-0.3 0.708 37.6 155.7 63.7 21.8 -5.7 16.2 49.5 93 102 B D + 0 0 1 -5,-0.2 2,-0.3 -50,-0.1 131,-0.3 -0.542 32.9 105.0 -82.8 80.9 -5.5 18.2 46.3 94 103 B I + 0 0 0 -2,-2.0 -14,-2.3 -51,-0.3 2,-0.3 -0.975 39.6 175.7-159.1 146.2 -2.1 19.8 47.0 95 104 B A E -LN 42 79C 0 -53,-2.0 -53,-2.7 -2,-0.3 2,-0.5 -0.960 20.4-138.2-155.4 145.2 1.4 19.4 45.8 96 105 B L E -LN 41 78C 0 -18,-2.7 -18,-3.1 -2,-0.3 2,-0.5 -0.959 12.7-156.9-112.5 133.0 4.7 21.1 46.4 97 106 B L E -LN 40 77C 0 -57,-2.9 -57,-2.1 -2,-0.5 2,-0.5 -0.945 6.7-149.3-110.4 121.9 7.2 21.8 43.6 98 107 B R E -LN 39 76C 57 -22,-2.9 -23,-2.5 -2,-0.5 -22,-1.5 -0.834 23.9-133.8 -89.0 127.4 10.9 22.3 44.5 99 108 B L E - 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