==== 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 01-MAY-10 3MU4 . COMPND 2 MOLECULE: CHYMOTRYPSIN-LIKE ELASTASE FAMILY MEMBER 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.PETROVA,S.GINELL,A.MITSCHLER,A.COUSIDO-SIAH,I.HAZEMANN,A.P . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 62.9 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 . 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 . 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 16 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.2 -11.3 -4.4 1.5 2 17 A V B 3 +A 182 0A 10 180,-2.3 180,-1.9 1,-0.2 134,-0.1 -0.770 360.0 12.3 -90.3 135.9 -14.8 -5.2 2.8 3 18 A G T 3 S+ 0 0 42 132,-0.6 -1,-0.2 -2,-0.4 178,-0.1 0.799 97.4 142.0 71.7 25.7 -16.0 -8.7 2.0 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.262 45.0-134.3 -88.2 178.5 -12.6 -10.0 1.0 5 20 A T E -B 147 0B 86 142,-2.5 142,-2.6 -2,-0.1 2,-0.2 -0.913 39.1 -88.8-125.2 157.2 -10.8 -13.2 1.5 6 21 A E E -B 146 0B 115 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.499 45.6-128.2 -68.2 130.1 -7.2 -13.6 2.5 7 22 A A - 0 0 2 138,-2.8 2,-0.1 -2,-0.2 138,-0.1 -0.545 21.8-107.7 -72.5 146.0 -4.9 -13.6 -0.5 8 23 A Q > - 0 0 131 -2,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.471 37.1-115.1 -63.0 145.5 -2.4 -16.4 -1.0 9 24 A R T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.671 111.5 41.4 -71.1 -11.2 1.0 -14.8 -0.3 10 25 A N T 3 S+ 0 0 66 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.296 90.3 89.7-115.1 12.5 2.3 -15.2 -3.9 11 26 A S S < S+ 0 0 50 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.874 97.9 25.6 -71.0 -38.1 -0.9 -14.3 -5.8 12 27 A W > + 0 0 24 -4,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.571 66.5 164.5-131.2 64.6 -0.3 -10.5 -6.1 13 28 A P T 3 S+ 0 0 30 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.583 72.7 61.9 -71.0 -7.2 3.5 -10.0 -5.9 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.7 97,-0.1 2,-0.2 0.577 78.6 107.5 -89.6 -9.8 3.3 -6.4 -7.3 15 30 A Q E < -I 33 0C 5 -3,-1.9 43,-0.4 18,-0.2 44,-0.4 -0.496 50.3-174.5 -66.6 135.0 1.2 -5.2 -4.4 16 31 A I E -I 32 0C 0 16,-2.3 16,-1.0 -2,-0.2 2,-0.5 -0.868 24.2-127.6-124.0 160.0 3.1 -2.9 -2.0 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.3 -2,-0.3 2,-0.6 -0.947 18.4-153.1-104.9 121.9 2.3 -1.3 1.3 18 33 A L E +IJ 30 55C 0 12,-3.0 11,-3.0 -2,-0.5 12,-1.8 -0.888 24.6 178.9 -95.6 123.9 2.9 2.5 1.4 19 34 A Q E -IJ 28 54C 9 35,-2.8 35,-2.3 -2,-0.6 2,-0.3 -0.868 19.5-146.9-129.3 153.7 3.6 3.5 5.0 20 35 A Y E -IJ 27 53C 54 7,-2.4 7,-2.7 -2,-0.3 2,-0.3 -0.909 31.8 -99.3-122.1 155.9 4.5 6.7 6.9 21 36 A R E +I 26 0C 128 31,-2.1 2,-0.4 -2,-0.3 31,-0.3 -0.546 39.8 179.0 -76.2 130.3 6.6 7.3 9.9 22 36AA S E > -I 25 0C 59 3,-2.8 3,-2.2 -2,-0.3 2,-0.2 -0.922 58.1 -58.0-138.1 100.6 4.6 7.6 13.1 23 36BA G T 3 S- 0 0 66 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.405 119.8 -18.2 60.6-121.3 6.5 8.1 16.2 24 36CA S T 3 S+ 0 0 133 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.221 133.9 53.7 -99.9 14.4 8.9 5.2 16.6 25 37 A S E < S-I 22 0C 73 -3,-2.2 -3,-2.8 -5,-0.0 2,-0.4 -0.659 78.9-110.1-133.9-170.8 7.0 3.0 14.2 26 38 A W E -I 21 0C 84 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.977 22.9-154.3-128.6 142.1 5.5 2.9 10.7 27 39 A A E -I 20 0C 29 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.2 -0.967 18.9-122.8-122.5 129.5 1.8 3.0 9.8 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.515 38.6 160.3 -63.0 132.6 0.2 1.5 6.6 29 41 A T E - 0 0 23 -11,-3.0 2,-0.3 1,-0.4 157,-0.2 0.614 55.8 -4.2-124.6 -29.4 -1.7 4.2 4.8 30 42 A a E -I 18 0C 5 -12,-1.8 -12,-3.0 157,-0.1 -1,-0.4 -0.970 60.0-112.8-157.3 165.0 -2.2 3.1 1.2 31 43 A G E +I 17 0C 1 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.419 29.3 178.2 -90.3-179.2 -1.4 0.5 -1.4 32 44 A G E -I 16 0C 0 -16,-1.0 -16,-2.3 -2,-0.2 2,-0.4 -0.949 26.1-116.5-168.1 173.0 0.6 0.7 -4.5 33 45 A T E -IK 15 41C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.992 22.7-130.2-122.8 125.7 1.9 -1.3 -7.5 34 46 A L E + K 0 40C 1 -20,-2.7 78,-3.4 -2,-0.4 6,-0.2 -0.626 34.8 166.3 -69.4 120.1 5.6 -2.0 -8.1 35 47 A I E + 0 0 2 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.604 66.4 13.4-116.0 -20.5 6.1 -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 89.5 -99.2-138.3 167.9 9.9 -1.0 -12.0 37 49 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.789 128.0 28.0 -60.0 -23.7 12.4 -2.3 -9.5 38 50 A N T 3 S+ 0 0 49 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.132 112.7 76.1-123.2 22.4 12.7 1.3 -8.3 39 51 A W E < -KL 36 98C 6 -3,-1.4 -4,-2.7 59,-0.2 -3,-1.8 -0.994 51.1-169.8-138.4 136.0 9.3 2.7 -9.1 40 52 A V E -KL 34 97C 0 57,-2.4 57,-2.8 -2,-0.4 2,-0.5 -0.954 14.2-144.8-118.9 137.1 5.8 2.4 -7.5 41 53 A M E +KL 33 96C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.886 36.3 147.6 -96.3 128.5 2.5 3.6 -8.9 42 54 A T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.4 -0.739 50.4 -72.0-143.3-173.2 0.0 4.8 -6.3 43 55 A A > - 0 0 0 -12,-0.4 3,-1.0 51,-0.3 4,-0.5 -0.737 32.9-133.5 -88.5 139.1 -2.8 7.4 -5.9 44 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.2 4,-0.1 0.889 105.2 60.9 -52.5 -41.2 -1.8 11.1 -5.7 45 57 A H G > S+ 0 0 57 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.773 93.1 65.6 -66.8 -21.7 -4.1 11.6 -2.7 46 58 A a G < S+ 0 0 5 -3,-1.0 -1,-0.3 1,-0.2 3,-0.2 0.761 106.8 40.9 -67.6 -22.3 -2.1 9.1 -0.7 47 59 A V G < S+ 0 0 14 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.142 80.5 105.6-116.9 23.4 1.0 11.4 -0.8 48 60 A D < + 0 0 59 -3,-1.0 -1,-0.1 -4,-0.1 2,-0.1 0.883 66.3 81.4 -63.3 -40.5 -0.8 14.7 -0.2 49 61 A R S S- 0 0 130 -4,-0.3 2,-1.8 -3,-0.2 0, 0.0 -0.455 89.7-120.3 -74.5 146.9 0.5 14.8 3.3 50 62 A E + 0 0 196 -2,-0.1 2,-0.1 2,-0.0 -1,-0.1 -0.254 66.0 137.2 -78.5 50.8 4.0 16.0 4.1 51 63 A L - 0 0 61 -2,-1.8 2,-0.7 -4,-0.1 -31,-0.0 -0.407 63.7-104.4-101.3 166.6 5.1 12.7 5.6 52 64 A T - 0 0 71 -31,-0.3 -31,-2.1 -2,-0.1 2,-0.3 -0.873 47.5-163.5 -87.4 120.0 8.1 10.4 5.5 53 65 A F E -J 20 0C 11 -2,-0.7 21,-1.8 -33,-0.2 2,-0.3 -0.793 16.4-179.7-109.1 147.0 7.1 7.5 3.4 54 65AA R E -JM 19 73C 44 -35,-2.3 -35,-2.8 -2,-0.3 2,-0.4 -0.944 18.5-137.0-131.6 161.1 8.5 4.0 2.8 55 66 A V E -JM 18 72C 0 17,-3.1 17,-2.8 -2,-0.3 2,-0.5 -0.940 8.6-157.0-112.8 141.5 7.4 1.1 0.6 56 67 A V E -JM 17 71C 0 -39,-2.3 -39,-2.1 -2,-0.4 3,-0.3 -0.978 10.7-174.1-118.3 120.1 7.3 -2.5 1.7 57 68 A V E S+ M 0 70C 1 13,-2.4 13,-2.3 -2,-0.5 52,-0.1 -0.742 70.8 33.5-101.6 158.5 7.4 -5.1 -1.0 58 69 A G S S+ 0 0 5 50,-0.6 2,-0.4 -43,-0.4 10,-0.3 0.804 86.7 151.0 67.7 24.5 7.0 -8.8 -0.2 59 70 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.766 15.5 149.9 -92.2 139.8 4.5 -7.9 2.5 60 71 A H S S+ 0 0 8 -2,-0.4 85,-1.8 1,-0.3 2,-0.6 0.612 70.6 34.3-127.7 -51.6 1.7 -10.1 3.6 61 72 A N B > -O 144 0D 12 3,-0.3 3,-1.2 83,-0.2 -1,-0.3 -0.952 62.4-159.1-113.8 115.6 1.0 -9.6 7.3 62 73 A L T 3 S+ 0 0 39 81,-2.6 -1,-0.1 -2,-0.6 82,-0.1 0.748 93.6 45.2 -61.7 -24.3 1.4 -6.0 8.4 63 74 A N T 3 S+ 0 0 112 80,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.151 111.2 48.9-109.5 7.9 1.7 -7.1 12.0 64 75 A Q S < S- 0 0 123 -3,-1.2 2,-0.5 79,-0.2 -3,-0.3 -0.995 86.5 -97.2-150.9 150.6 4.1 -10.1 11.7 65 76 A N - 0 0 136 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.586 31.8-178.1 -70.7 117.1 7.4 -11.1 10.1 66 77 A N - 0 0 29 -2,-0.5 -1,-0.2 -5,-0.2 -4,-0.0 0.606 36.3-129.2 -86.0 -19.4 6.7 -12.8 6.8 67 78 A G S S+ 0 0 62 1,-0.0 -8,-0.1 2,-0.0 -2,-0.1 0.542 94.8 75.3 76.9 10.6 10.4 -13.5 6.1 68 79 A T + 0 0 27 -10,-0.3 -9,-0.1 40,-0.0 2,-0.1 0.390 64.0 119.7-130.1 -5.7 9.9 -12.0 2.6 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.368 38.3-167.7 -74.2 146.4 9.7 -8.2 3.1 70 81 A Q E -M 57 0C 44 -13,-2.3 -13,-2.4 -2,-0.1 2,-0.5 -0.999 12.2-154.7-124.9 133.1 12.0 -5.6 1.7 71 82 A Y E +M 56 0C 111 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.912 18.6 173.5-110.6 126.3 11.7 -2.1 3.2 72 83 A V E -M 55 0C 10 -17,-2.8 -17,-3.1 -2,-0.5 2,-0.1 -0.992 27.0-121.9-140.0 137.7 12.7 0.8 1.1 73 84 A G E -M 54 0C 31 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.363 27.2-115.0 -71.9 152.3 12.5 4.6 1.4 74 85 A V E +N 99 0C 31 -21,-1.8 25,-0.2 25,-0.2 -21,-0.2 -0.841 32.1 179.0 -86.9 118.5 10.7 6.9 -1.0 75 86 A Q E + 0 0 110 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.768 64.9 12.9 -92.4 -34.6 13.3 9.1 -2.7 76 87 A K E -N 98 0C 85 22,-1.6 22,-2.7 2,-0.0 2,-0.5 -0.992 59.6-155.5-149.1 139.6 11.2 11.1 -5.1 77 88 A I E -N 97 0C 69 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.982 7.8-173.9-118.3 122.6 7.4 11.7 -5.5 78 89 A V E -N 96 0C 30 18,-3.0 18,-2.7 -2,-0.5 2,-0.3 -0.938 9.1-169.0-118.7 103.0 6.0 12.7 -8.9 79 90 A V E -N 95 0C 47 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.660 39.5 -90.5 -86.8 148.6 2.3 13.5 -8.7 80 91 A H > - 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