==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-10 3MNC . COMPND 2 MOLECULE: CHYMOTRYPSIN-LIKE ELASTASE FAMILY MEMBER 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.PETROVA,S.GINELL,Y.KIM,G.JOACHIMIAK,A.JOACHIMIAK . 240 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10662.0 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 . 81 33.8 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 . 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 . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 3.8 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 . 5 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 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 -4.4 1.5 2 17 A V B 3 +A 182 0A 10 180,-2.2 180,-1.8 1,-0.2 134,-0.1 -0.785 360.0 11.4 -90.3 133.9 -14.9 -5.1 2.7 3 18 A G T 3 S+ 0 0 41 132,-0.6 146,-0.2 -2,-0.4 -1,-0.2 0.788 97.7 138.8 73.4 25.2 -16.1 -8.6 2.0 4 19 A G < - 0 0 22 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.236 46.3-132.3 -91.2-178.2 -12.8 -10.0 0.9 5 20 A T E -B 147 0B 86 142,-2.4 142,-2.6 -2,-0.1 2,-0.2 -0.922 38.7 -87.8-127.3 156.7 -10.9 -13.2 1.4 6 21 A E E -B 146 0B 113 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.496 45.8-127.6 -67.5 133.9 -7.3 -13.6 2.5 7 22 A A - 0 0 3 138,-2.7 2,-0.2 -2,-0.2 138,-0.1 -0.525 21.3-107.9 -74.2 147.0 -5.0 -13.7 -0.5 8 23 A Q > - 0 0 130 -2,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.504 37.6-114.5 -65.1 146.6 -2.5 -16.4 -1.0 9 24 A R T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.677 111.5 40.2 -70.4 -11.4 0.9 -14.9 -0.2 10 25 A N T 3 S+ 0 0 67 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.287 90.5 90.8-116.9 15.8 2.2 -15.3 -3.8 11 26 A S S < S+ 0 0 51 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.860 96.9 26.5 -74.5 -37.3 -0.9 -14.3 -5.7 12 27 A W > + 0 0 25 -4,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.554 66.1 163.5-131.2 66.1 -0.3 -10.5 -6.0 13 28 A P T 3 S+ 0 0 31 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.584 72.4 62.2 -73.9 -5.6 3.4 -10.0 -5.9 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.6 97,-0.1 2,-0.2 0.553 78.6 108.9 -89.0 -9.4 3.2 -6.4 -7.3 15 30 A Q E < -I 33 0C 6 -3,-1.9 43,-0.4 18,-0.2 44,-0.4 -0.496 49.5-173.4 -66.2 134.1 1.2 -5.2 -4.4 16 31 A I E -I 32 0C 0 16,-2.3 16,-0.9 -2,-0.2 2,-0.5 -0.865 22.7-131.1-122.3 160.3 3.0 -2.9 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.2 39,-2.4 -2,-0.3 2,-0.5 -0.958 16.8-152.9-107.4 122.1 2.2 -1.3 1.3 18 33 A L E -IJ 30 55C 0 12,-2.9 11,-2.8 -2,-0.5 12,-1.8 -0.893 23.8-178.3 -96.2 124.5 2.9 2.5 1.5 19 34 A Q E -IJ 28 54C 10 35,-2.8 35,-2.3 -2,-0.5 2,-0.3 -0.873 17.9-147.6-127.3 153.4 3.7 3.4 5.1 20 35 A Y E -IJ 27 53C 57 7,-2.3 7,-2.4 -2,-0.3 2,-0.3 -0.908 31.3-100.8-122.1 153.0 4.4 6.6 7.0 21 36 A R E -I 26 0C 125 31,-2.1 2,-0.5 -2,-0.3 31,-0.3 -0.560 38.5-179.1 -75.6 129.3 6.6 7.1 10.1 22 36AA S E > -I 25 0C 59 3,-2.8 3,-2.2 -2,-0.3 2,-0.2 -0.933 58.2 -59.6-135.4 97.7 4.4 7.4 13.2 23 36BA G T 3 S- 0 0 66 -2,-0.5 -1,-0.0 1,-0.3 -2,-0.0 -0.375 119.8 -15.8 61.7-119.6 6.5 8.0 16.3 24 36CA S T 3 S+ 0 0 117 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.228 134.3 48.6 -99.6 16.0 8.9 5.2 16.7 25 37 A S E < S-I 22 0C 74 -3,-2.2 -3,-2.8 -5,-0.0 2,-0.4 -0.675 79.5-108.2-139.5-169.2 7.1 2.9 14.3 26 38 A W E -I 21 0C 70 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.964 22.8-155.5-129.4 145.4 5.5 2.8 10.8 27 39 A A E -I 20 0C 27 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.2 -0.984 20.7-119.7-127.3 131.8 1.8 2.7 9.9 28 40 A H E +I 19 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.465 39.5 160.0 -60.6 133.4 0.2 1.4 6.7 29 41 A T E - 0 0 23 -11,-2.8 2,-0.3 1,-0.4 159,-0.2 0.655 56.2 -1.0-121.8 -37.3 -1.7 4.2 4.9 30 42 A C E -I 18 0C 6 -12,-1.8 -12,-2.9 157,-0.1 -1,-0.4 -0.930 59.6-116.9-148.4 167.2 -2.1 3.1 1.3 31 43 A G E +I 17 0C 2 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.457 29.0 173.6 -96.5-177.5 -1.5 0.5 -1.3 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.3 -2,-0.2 2,-0.4 -0.957 27.6-113.7-172.8 174.0 0.5 0.7 -4.5 33 45 A T E -IK 15 41C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.993 22.8-128.9-126.1 129.2 1.8 -1.3 -7.4 34 46 A L E + K 0 40C 0 -20,-2.6 78,-3.3 -2,-0.4 6,-0.2 -0.641 34.3 166.2 -72.0 120.1 5.5 -2.0 -8.1 35 47 A I E + 0 0 3 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.618 67.0 13.1-116.7 -18.4 6.0 -1.1 -11.8 36 48 A R E > S- K 0 39C 89 3,-1.8 3,-1.4 74,-0.1 -1,-0.4 -0.921 89.0 -99.3-139.5 168.3 9.8 -1.0 -12.0 37 49 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.790 127.8 28.3 -60.9 -22.4 12.4 -2.3 -9.5 38 50 A N T 3 S+ 0 0 50 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.146 112.8 75.1-124.0 23.4 12.7 1.3 -8.3 39 51 A W E < -KL 36 98C 5 -3,-1.4 -4,-2.6 59,-0.2 -3,-1.8 -0.996 51.0-170.5-139.2 137.1 9.2 2.8 -9.1 40 52 A V E -KL 34 97C 0 57,-2.4 57,-2.9 -2,-0.4 2,-0.5 -0.950 14.3-144.4-119.6 140.3 5.8 2.4 -7.5 41 53 A M E +KL 33 96C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.907 35.3 146.7-100.7 129.9 2.5 3.6 -8.8 42 54 A T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.3 -0.719 50.4 -71.2-144.9-174.3 -0.1 4.9 -6.3 43 55 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.5 -0.735 33.1-132.7 -85.8 141.5 -2.8 7.4 -5.9 44 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.2 4,-0.2 0.878 105.8 61.2 -54.4 -41.5 -1.9 11.2 -5.7 45 57 A H G > S+ 0 0 54 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.798 93.5 65.5 -66.5 -19.9 -4.2 11.6 -2.8 46 58 A C G < S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.3 3,-0.2 0.743 106.5 41.6 -68.6 -24.7 -2.1 9.1 -0.8 47 59 A V G < S+ 0 0 15 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.162 80.6 104.6-113.3 22.0 0.9 11.4 -0.9 48 60 A D < + 0 0 60 -3,-1.1 2,-0.2 -4,-0.2 -1,-0.1 0.885 67.2 80.7 -65.7 -38.7 -0.9 14.8 -0.2 49 61 A R S S- 0 0 124 -4,-0.3 2,-1.6 -3,-0.2 0, 0.0 -0.470 88.9-121.6 -75.3 149.2 0.4 14.8 3.4 50 62 A E + 0 0 199 -2,-0.2 -1,-0.1 2,-0.0 2,-0.1 -0.198 64.4 138.2 -82.7 49.6 3.9 15.9 4.1 51 63 A L - 0 0 59 -2,-1.6 2,-0.6 1,-0.1 -31,-0.0 -0.349 63.0-104.6 -98.3 166.5 5.0 12.6 5.7 52 64 A T - 0 0 88 -31,-0.3 -31,-2.1 -2,-0.1 2,-0.3 -0.876 47.9-164.2 -89.1 119.8 8.0 10.4 5.7 53 65 A F E -J 20 0C 14 -2,-0.6 21,-1.6 -33,-0.2 2,-0.3 -0.809 17.2-179.1-110.6 148.6 7.1 7.4 3.5 54 65AA R E -JM 19 73C 46 -35,-2.3 -35,-2.8 -2,-0.3 2,-0.4 -0.945 19.4-135.1-133.6 158.0 8.5 4.0 2.9 55 66 A V E -JM 18 72C 0 17,-3.0 17,-2.6 -2,-0.3 2,-0.5 -0.940 10.3-158.5-109.2 139.1 7.4 1.1 0.7 56 67 A V E -JM 17 71C 0 -39,-2.4 -39,-2.2 -2,-0.4 3,-0.3 -0.981 10.5-174.3-116.7 121.5 7.2 -2.4 1.8 57 68 A V E + M 0 70C 1 13,-2.3 13,-2.2 -2,-0.5 52,-0.1 -0.747 69.5 33.1-104.9 158.8 7.4 -5.1 -1.0 58 69 A G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.4 10,-0.3 0.791 85.8 150.9 67.4 25.5 6.9 -8.8 -0.2 59 70 A E + 0 0 21 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.710 15.7 151.1 -92.0 143.8 4.4 -7.9 2.5 60 71 A H S S+ 0 0 8 -2,-0.3 85,-1.8 1,-0.3 2,-0.6 0.553 70.1 34.6-130.2 -53.9 1.6 -10.2 3.6 61 72 A N B > -O 144 0D 10 3,-0.3 3,-1.2 83,-0.2 -1,-0.3 -0.951 60.1-160.9-113.4 116.4 0.8 -9.7 7.3 62 73 A L T 3 S+ 0 0 39 81,-2.5 -1,-0.1 -2,-0.6 82,-0.1 0.644 93.3 47.4 -68.1 -16.2 1.3 -6.1 8.5 63 74 A N T 3 S+ 0 0 106 80,-0.2 2,-0.3 1,-0.0 -1,-0.2 0.247 110.9 46.9-114.0 11.7 1.4 -7.4 12.1 64 75 A Q S < S- 0 0 122 -3,-1.2 2,-0.5 79,-0.1 -3,-0.3 -0.995 86.2 -98.8-152.0 151.5 3.9 -10.3 11.7 65 76 A N - 0 0 135 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.596 31.8-176.8 -71.8 117.3 7.3 -11.1 10.2 66 77 A N - 0 0 26 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.593 35.5-128.1 -89.0 -16.5 6.6 -12.9 6.9 67 78 A G S S+ 0 0 63 1,-0.0 -8,-0.1 2,-0.0 -2,-0.1 0.552 94.8 74.9 79.3 9.8 10.3 -13.5 6.1 68 79 A T + 0 0 25 -10,-0.3 2,-0.1 40,-0.0 -9,-0.1 0.381 62.9 120.6-132.2 -5.7 9.8 -12.0 2.7 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.391 37.5-167.9 -73.3 145.5 9.6 -8.2 3.2 70 81 A Q E -M 57 0C 44 -13,-2.2 -13,-2.3 -2,-0.1 2,-0.5 -0.999 11.6-153.9-124.6 135.4 12.0 -5.6 1.7 71 82 A Y E +M 56 0C 112 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.918 18.3 171.9-111.3 127.2 11.8 -2.1 3.1 72 83 A V E -M 55 0C 12 -17,-2.6 -17,-3.0 -2,-0.5 2,-0.1 -0.994 27.8-121.8-139.1 143.1 12.8 0.9 1.0 73 84 A G E -M 54 0C 30 -2,-0.4 27,-2.6 -19,-0.2 2,-0.6 -0.408 27.8-114.8 -76.0 153.0 12.5 4.6 1.4 74 85 A V E +N 99 0C 32 -21,-1.6 25,-0.2 25,-0.2 -21,-0.2 -0.859 32.2 179.6 -88.1 119.5 10.7 6.9 -1.1 75 86 A Q E + 0 0 109 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.774 64.7 12.4 -90.8 -33.8 13.3 9.1 -2.7 76 87 A K E -N 98 0C 84 22,-1.5 22,-2.6 2,-0.0 2,-0.5 -0.994 59.5-155.0-150.0 139.6 11.1 11.2 -5.1 77 88 A I E -N 97 0C 69 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.983 8.1-173.1-117.9 124.0 7.4 11.7 -5.5 78 89 A V E -N 96 0C 30 18,-3.2 18,-2.6 -2,-0.5 2,-0.3 -0.925 8.8-169.3-119.3 102.5 6.0 12.7 -8.9 79 90 A V E -N 95 0C 46 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.669 39.3 -90.0 -85.5 148.7 2.3 13.5 -8.7 80 91 A H > - 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