==== 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/HYDROLASE INHIBITOR 01-MAY-95 1BMA . COMPND 2 MOLECULE: CHYMOTRYPSIN-LIKE ELASTASE FAMILY MEMBER 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR E.PEISACH,D.CASEBIER,S.L.GALLION,P.FURTH,G.A.PETSKO,J.C.HOGA . 241 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 64.7 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 . 80 33.2 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 . 5 2.1 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 . 21 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.4 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 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 . 4 2 2 5 2 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 A V > 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.8 40.7 33.5 36.0 2 17 A V B 3 +A 182 0A 10 180,-2.2 180,-1.6 1,-0.2 134,-0.1 -0.745 360.0 14.2 -89.3 138.5 37.1 34.2 34.8 3 18 A G T 3 S+ 0 0 41 132,-0.6 -1,-0.2 -2,-0.3 2,-0.1 0.800 98.8 138.5 73.2 24.0 35.8 37.8 35.5 4 19 A G < - 0 0 23 -3,-0.5 2,-0.3 131,-0.1 144,-0.2 -0.285 45.8-137.9 -95.0 179.9 39.3 39.0 36.5 5 20 A T E -B 147 0B 90 142,-2.1 142,-2.6 -2,-0.1 2,-0.2 -0.904 39.4 -85.6-131.2 162.2 41.2 42.2 35.8 6 21 A E E -B 146 0B 116 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.478 44.4-130.2 -73.8 136.2 44.9 42.6 34.9 7 22 A A - 0 0 3 138,-2.9 2,-0.1 -2,-0.2 138,-0.1 -0.564 21.5-108.7 -80.7 151.0 47.3 42.6 37.9 8 23 A Q > - 0 0 140 -2,-0.2 3,-1.3 1,-0.1 4,-0.4 -0.463 38.9-104.4 -67.5 156.0 50.0 45.3 38.3 9 24 A R T 3 S+ 0 0 122 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.821 114.4 27.5 -52.6 -46.3 53.6 44.0 37.8 10 25 A N T 3 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.0 50,-0.0 0.123 92.4 102.8-107.9 20.4 54.9 43.8 41.4 11 26 A S S < S+ 0 0 53 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.910 93.9 20.9 -70.0 -40.6 51.5 43.2 43.0 12 27 A W S > S+ 0 0 29 -4,-0.4 3,-1.9 -3,-0.2 -1,-0.2 -0.577 70.1 165.9-131.3 70.4 51.8 39.5 43.6 13 28 A P T 3 S+ 0 0 34 0, 0.0 97,-1.7 0, 0.0 45,-0.3 0.490 70.5 62.0 -78.0 -2.9 55.5 38.7 43.6 14 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.6 97,-0.1 98,-0.2 0.521 79.7 110.1 -91.4 -8.7 55.3 35.2 45.1 15 30 A Q E < -I 33 0C 7 -3,-1.9 43,-0.5 18,-0.2 44,-0.4 -0.440 49.0-174.2 -63.9 132.4 53.2 34.0 42.1 16 31 A I E -IJ 32 57C 0 16,-1.9 16,-0.9 -2,-0.1 2,-0.5 -0.886 22.7-132.1-123.9 161.1 55.1 31.5 39.8 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-2.3 -2,-0.3 2,-0.6 -0.971 17.0-152.5-108.4 126.7 54.2 29.9 36.4 18 33 A L E -IJ 30 55C 0 12,-3.0 11,-2.6 -2,-0.5 12,-1.7 -0.902 23.1-177.7-101.1 126.4 54.9 26.2 36.3 19 34 A Q E -IJ 28 54C 10 35,-2.6 35,-2.3 -2,-0.6 2,-0.3 -0.885 17.5-151.5-127.2 148.6 55.6 25.1 32.7 20 35 A Y E -IJ 27 53C 71 7,-2.1 7,-2.4 -2,-0.3 2,-0.3 -0.881 32.3 -99.9-119.6 157.2 56.3 21.9 30.9 21 36 A R E -I 26 0C 123 31,-1.8 2,-0.5 -2,-0.3 5,-0.3 -0.545 35.1-173.7 -79.7 127.4 58.4 21.3 27.7 22 37 A S E > -I 25 0C 49 3,-3.1 3,-2.2 -2,-0.3 2,-0.6 -0.915 58.9 -61.6-127.0 95.8 56.2 21.0 24.8 23 38 A G T 3 S- 0 0 63 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.456 120.4 -14.0 68.3-108.9 58.3 20.0 21.8 24 39 A S T 3 S+ 0 0 124 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.1 0.572 134.2 49.8 -97.6 -18.5 60.7 22.8 21.3 25 40 A S E < S-I 22 0C 65 -3,-2.2 -3,-3.1 -5,-0.0 2,-0.4 -0.358 79.5-111.4-113.1-171.5 59.0 25.3 23.5 26 41 A W E -I 21 0C 84 -5,-0.3 2,-0.4 -2,-0.1 -5,-0.2 -0.992 24.2-159.2-129.3 133.9 57.5 25.5 27.0 27 42 A A E -I 20 0C 31 -7,-2.4 -7,-2.1 -2,-0.4 2,-0.3 -0.922 22.7-115.5-116.8 140.2 53.8 25.8 27.8 28 43 A H E +I 19 0C 19 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.527 40.5 160.4 -69.4 130.9 52.1 27.2 31.0 29 44 A T E + 0 0 45 -11,-2.6 157,-0.3 1,-0.4 2,-0.3 0.651 58.1 1.5-118.0 -27.4 50.2 24.5 32.9 30 45 A a E -I 18 0C 4 -12,-1.7 -12,-3.0 157,-0.1 -1,-0.4 -0.948 57.7-123.5-156.1 160.6 49.8 25.7 36.5 31 46 A G E +I 17 0C 1 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.457 30.4 173.2 -96.9-177.5 50.4 28.4 39.0 32 47 A G E -I 16 0C 0 -16,-0.9 -16,-1.9 -2,-0.2 2,-0.4 -0.956 28.9-108.1-169.8-179.1 52.3 28.1 42.3 33 48 A T E -IK 15 41C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.5 -0.988 22.2-130.3-127.1 127.6 53.7 30.0 45.2 34 49 A L E + K 0 40C 1 -20,-2.6 78,-3.0 -2,-0.4 6,-0.2 -0.647 34.8 165.9 -71.4 118.7 57.4 30.6 45.9 35 50 A I E + 0 0 2 4,-2.1 2,-0.3 -2,-0.5 5,-0.2 0.640 66.3 11.9-112.7 -22.7 57.8 29.7 49.6 36 51 A R E > S- K 0 39C 82 3,-1.9 3,-1.2 74,-0.1 -1,-0.4 -0.924 88.9 -98.2-139.2 166.3 61.6 29.5 49.9 37 52 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.759 127.6 24.6 -59.5 -22.3 64.3 30.6 47.5 38 53 A N T 3 S+ 0 0 43 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.166 113.3 77.2-127.3 18.5 64.5 27.0 46.3 39 54 A W E < -KL 36 98C 4 -3,-1.2 -4,-2.1 59,-0.2 -3,-1.9 -0.998 51.7-171.4-133.3 136.4 61.0 25.6 47.1 40 55 A V E -KL 34 97C 0 57,-2.0 57,-2.6 -2,-0.4 2,-0.5 -0.969 13.8-145.4-120.5 137.5 57.7 26.2 45.3 41 56 A M E +KL 33 96C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.906 34.9 145.7-102.0 133.4 54.2 25.1 46.6 42 57 A T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.3 -0.782 51.5 -71.6-147.9-173.6 51.7 23.9 44.0 43 58 A A > - 0 0 0 -12,-0.4 3,-1.0 51,-0.2 4,-0.4 -0.672 33.6-131.4 -87.6 144.1 48.8 21.4 43.6 44 59 A A G > S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 0.874 106.0 63.6 -60.6 -33.4 49.6 17.6 43.3 45 60 A H G > S+ 0 0 24 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.741 92.1 66.6 -67.1 -16.5 47.3 17.2 40.3 46 61 A a G < S+ 0 0 11 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.723 107.5 38.5 -70.2 -25.0 49.7 19.7 38.4 47 62 A V G < S+ 0 0 16 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.139 80.5 108.0-115.2 20.6 52.5 17.1 38.5 48 63 A D S < S+ 0 0 61 -3,-0.7 2,-0.3 -4,-0.2 -1,-0.1 0.913 70.6 68.5 -63.1 -39.4 50.5 13.9 38.0 49 64 A R S S- 0 0 194 -4,-0.3 2,-1.6 -3,-0.2 0, 0.0 -0.643 91.6-122.6 -84.3 139.4 52.0 13.5 34.4 50 65 A E + 0 0 192 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 -0.582 59.1 141.1 -83.7 83.7 55.7 12.7 34.2 51 66 A L - 0 0 71 -2,-1.6 2,-0.6 -4,-0.1 -31,-0.0 -0.576 61.4 -92.0-118.6 169.4 56.8 15.7 32.2 52 67 A T - 0 0 69 -31,-0.3 -31,-1.8 -2,-0.2 2,-0.3 -0.826 52.1-166.5 -86.7 120.4 59.9 18.0 32.1 53 68 A F E +J 20 0C 15 -2,-0.6 21,-1.4 -33,-0.2 2,-0.3 -0.808 16.9 178.3-115.7 146.7 59.0 21.0 34.4 54 69 A R E -JM 19 73C 52 -35,-2.3 -35,-2.6 -2,-0.3 2,-0.4 -0.951 20.1-134.8-136.7 162.8 60.5 24.4 34.9 55 70 A V E -JM 18 72C 0 17,-2.8 17,-2.6 -2,-0.3 2,-0.5 -0.934 9.4-158.6-119.8 137.2 59.4 27.3 37.1 56 71 A V E -JM 17 71C 0 -39,-2.3 -39,-2.0 -2,-0.4 3,-0.3 -0.976 11.3-174.3-117.6 119.1 59.3 30.9 36.0 57 72 A V E +JM 16 70C 2 13,-2.3 13,-1.9 -2,-0.5 -41,-0.1 -0.722 67.2 33.6-104.6 158.8 59.5 33.6 38.7 58 73 A G S S+ 0 0 7 -43,-0.5 2,-0.3 50,-0.5 10,-0.2 0.799 86.1 154.0 69.8 27.9 59.1 37.4 38.1 59 74 A E + 0 0 18 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.675 18.0 149.0 -95.0 139.6 56.7 36.7 35.3 60 75 A H + 0 0 11 -2,-0.3 85,-1.3 1,-0.3 2,-0.6 0.567 69.6 35.4-129.5 -55.4 54.0 39.0 34.1 61 76 A N B > -O 144 0D 9 3,-0.3 3,-1.1 83,-0.2 -1,-0.3 -0.936 66.1-155.7-102.2 117.9 53.3 38.6 30.3 62 77 A L T 3 S+ 0 0 36 81,-3.0 -1,-0.1 -2,-0.6 82,-0.1 0.835 91.9 40.9 -60.7 -28.2 53.7 34.9 29.2 63 78 A N T 3 S+ 0 0 116 80,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.472 110.5 56.9-101.6 -1.3 54.4 35.7 25.6 64 79 A Q S < S- 0 0 119 -3,-1.1 2,-0.3 79,-0.2 -3,-0.3 -0.958 84.7-106.0-129.6 145.3 56.7 38.8 25.9 65 80 A N - 0 0 134 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.567 29.7-176.3 -70.3 131.9 60.1 39.4 27.7 66 81 A N - 0 0 28 -2,-0.3 -1,-0.2 -5,-0.1 -4,-0.0 0.529 39.3-122.6-101.8 -11.6 59.4 41.6 30.8 67 82 A G S S+ 0 0 60 1,-0.0 -2,-0.1 2,-0.0 -9,-0.0 0.624 98.0 78.5 77.5 10.0 63.1 42.0 31.7 68 83 A T + 0 0 27 -10,-0.2 -9,-0.1 40,-0.0 2,-0.1 0.442 61.6 117.9-126.0 -2.6 62.3 40.4 35.2 69 84 A E - 0 0 24 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.359 38.1-169.1 -81.0 140.9 62.0 36.6 34.6 70 85 A Q E -M 57 0C 39 -13,-1.9 -13,-2.3 -2,-0.1 2,-0.5 -0.995 11.1-156.8-123.1 134.9 64.2 34.0 36.2 71 86 A Y E +M 56 0C 114 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.956 18.4 170.2-115.9 120.3 63.9 30.4 34.7 72 87 A V E -M 55 0C 12 -17,-2.6 -17,-2.8 -2,-0.5 2,-0.1 -0.976 28.7-117.8-138.4 146.2 64.9 27.5 36.9 73 88 A G E -M 54 0C 33 -2,-0.3 27,-3.0 -19,-0.2 2,-0.6 -0.386 26.1-117.3 -78.0 154.5 64.5 23.6 36.7 74 89 A V E +N 99 0C 31 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.858 29.8 179.9 -92.0 118.8 62.6 21.4 39.1 75 90 A Q E + 0 0 116 23,-2.8 2,-0.3 -2,-0.6 24,-0.2 0.771 65.0 13.6 -89.8 -31.3 65.0 19.1 40.8 76 91 A K E -N 98 0C 97 22,-1.6 22,-3.0 2,-0.0 2,-0.5 -0.988 58.5-154.3-151.4 136.7 62.6 17.1 43.1 77 92 A I E -N 97 0C 72 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.971 8.9-173.1-115.1 123.7 58.8 16.7 43.4 78 93 A V E -N 96 0C 29 18,-2.6 18,-2.7 -2,-0.5 2,-0.2 -0.948 8.3-170.1-119.0 103.9 57.4 15.8 46.8 79 94 A V E -N 95 0C 48 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.675 40.0 -88.9 -90.1 149.6 53.7 15.1 46.5 80 95 A H > - 0 0 21 14,-2.2 3,-2.0 12,-0.3 -1,-0.1 -0.431 38.7-124.6 -54.0 130.4 51.6 14.7 49.7 81 96 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.740 108.0 48.8 -47.0 -34.2 51.7 10.9 50.7 82 97 A Y T 3 S+ 0 0 161 2,-0.0 2,-0.1 10,-0.0 -2,-0.1 0.330 78.4 126.1 -91.7 3.0 47.9 10.7 50.7 83 98 A W < - 0 0 30 -3,-2.0 2,-0.5 9,-0.2 9,-0.1 -0.427 38.5-169.5 -62.2 132.7 47.2 12.3 47.3 84 99 A N > - 0 0 73 7,-0.5 3,-2.1 3,-0.3 6,-0.2 -0.943 17.0-155.9-130.2 113.3 45.0 10.1 45.2 85 100 A T T 3 S+ 0 0 80 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.774 95.6 56.1 -50.7 -36.3 44.6 11.2 41.5 86 101 A D T 3 S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.415 113.3 41.6 -77.2 -4.7 41.3 9.2 41.2 87 102 A D X + 0 0 73 -3,-2.1 3,-1.6 4,-0.1 -3,-0.3 -0.473 54.1 158.7-143.4 71.3 39.8 11.2 44.2 88 103 A V G > S+ 0 0 30 -3,-0.4 3,-1.7 1,-0.3 5,-0.2 0.829 78.8 67.0 -61.8 -25.9 40.6 15.0 44.2 89 104 A A G 3 S+ 0 0 20 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.664 87.2 67.7 -72.1 -13.4 37.5 15.4 46.5 90 105 A A G < S- 0 0 33 -3,-1.6 -1,-0.3 1,-0.3 2,-0.2 0.678 102.6-138.2 -74.6 -15.6 39.4 13.5 49.2 91 106 A G < + 0 0 4 -3,-1.7 -7,-0.5 -4,-0.3 -1,-0.3 -0.635 66.8 119.0 96.7-156.6 41.9 16.4 49.5 92 107 A Y + 0 0 78 -2,-0.2 2,-2.0 1,-0.2 -12,-0.3 0.688 36.0 156.2 58.4 30.6 45.7 16.4 49.9 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.512 32.9 107.1 -88.5 79.8 46.0 18.3 46.7 94 109 A I + 0 0 0 -2,-2.0 -14,-2.2 -51,-0.3 2,-0.3 -0.993 38.4 176.1-156.8 144.3 49.4 19.8 47.4 95 110 A A E -LN 42 79C 0 -53,-2.2 -53,-2.7 -2,-0.3 2,-0.4 -0.990 19.0-142.2-150.7 147.1 53.0 19.3 46.3 96 111 A L E -LN 41 78C 0 -18,-2.7 -18,-2.6 -2,-0.3 2,-0.5 -0.972 13.4-156.7-115.9 131.6 56.3 20.9 47.0 97 112 A L E -LN 40 77C 0 -57,-2.6 -57,-2.0 -2,-0.4 2,-0.6 -0.907 6.7-148.3-112.1 121.1 58.9 21.3 44.2 98 113 A R E -LN 39 76C 50 -22,-3.0 -23,-2.8 -2,-0.5 -22,-1.6 -0.826 23.2-134.0 -87.4 124.7 62.6 21.7 45.0 99 114 A L E - 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